A0A087YER1_POEFO Loading...

5'-3' exonuclease PLD3

AlphaFold DB , UniProt , Accession A0A087YER1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 490 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	42.5	Very low	41.6	Very low	249 Å²	249	159.9 Å²	159.9	100%	1.227	81%	0.814	S	S	*	*				0	102.5	0	-138.7	162.6	108.8	0	0	106.7
2	K	33.6	Very low	42.7	Very low	200 Å²	200	153.8 Å²	153.8	87%	0.87	78%	0.784	S	S	*	*			trans	-83.7	128.3	178.9	-77.3	177.2	173.2	179.8	0	107.9
3	S	38.9	Very low	43.7	Very low	107 Å²	107	149.3 Å²	149.3	75%	0.748	77%	0.772	S	S	*	*			trans	-95.9	102.4	168.7	55.6	0	0	0	0	108.4	I5	S3-I5 PolarHBondContact O-N 3.29Å
4	D	40.7	Very low	44.5	Very low	152 Å²	152	148.7 Å²	148.7	81%	0.813	76%	0.764	S	S	*	*			trans	-74.1	105.2	168.6	-76.4	-36.6	0	0	0	109
5	I	42.4	Very low	45.2	Very low	154 Å²	154	149.7 Å²	149.7	79%	0.79	75%	0.754	S	S	*	*			trans	-102.2	113.7	162.9	-60.2	178	0	0	0	106.6	S3 Y7	S3-I5 PolarHBondContact O-N 3.29Å; I5-Y7 PolarHBondContact O-N 3.23Å
6	T	39.7	Very low	46	Very low	123 Å²	123	150.9 Å²	150.9	76%	0.755	75%	0.747	S	S	*	*			trans	-69.9	116	-179.6	-21.6	0	0	0	0	109.6	N8	T6-N8 PolarHBondContact O-N 3.48Å
7	Y	36.8	Very low	46.7	Very low	188 Å²	188	154.2 Å²	154.2	74%	0.737	75%	0.749	S	S	*	*			trans	-77.1	107.4	174	-167.5	-93.3	0	0	0	109.1	I5 Q9	I5-Y7 PolarHBondContact O-N 3.23Å; Y7-Q9 PolarHBondContact O-N 3Å
8	N	44	Very low	47.5	Very low	146 Å²	146	153.6 Å²	153.6	78%	0.781	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-72.9	121.8	172.8	-88.2	-27.3	0	0	0	109.8	T6 M10	T6-N8 PolarHBondContact O-N 3.48Å; N8-M10 PolarHBondContact O-N 3.05Å
9	Q	40.5	Very low	48.3	Very low	184 Å²	184	151.2 Å²	151.2	86%	0.86	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-56.3	122.9	177.5	-141.7	174.4	6.6	0	0	110.1	Y7 V11	Y7-Q9 PolarHBondContact O-N 3Å; Q9-V11 PolarHBondContact O-N 3.2Å
10	M	42.5	Very low	49	Very low	157 Å²	157	151.8 Å²	151.8	77%	0.773	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-62.6	122.7	175	-75.9	-171.1	-85.5	0	0	109.7	N8 D12	N8-M10 PolarHBondContact O-N 3.05Å; M10-D12 PolarHBondContact O-N 3Å
11	V	55.9	Low	49.8	Very low	99 Å²	99	147.1 Å²	147.1	60%	0.6	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-64.3	129.1	176.9	-179.4	0	0	0	0	109.7	Q9	Q9-V11 PolarHBondContact O-N 3.2Å
12	D	54.8	Low	51	Low	86 Å²	86	140.9 Å²	140.9	46%	0.46	69%	0.685	S	S	.	*	P	Polyproline II helix	trans	-50.9	116.7	-178.1	-172.7	-10.6	0	0	0	112.9	M10 E14 R15	M10-D12 PolarHBondContact O-N 3Å; D12-E14 PolarHBondContact O-N 3.48Å; D12-E14 WeakPolarHBondContact OD1-CB 3.39Å; D12-E14 PolarHBondContact OD1-N 3.37Å; D12-R15 PolarHBondContact O-N 2.97Å
13	P	55.8	Low	52.6	Low	96 Å²	96	139.4 Å²	139.4	62%	0.623	67%	0.674	S	S	*	*	H	α-helix	trans	-65	-18.5	179.8	24.3	-31.5	0	0	0	113.9	R17	P13-R17 PolarHBondContact O-N 3.25Å
14	E	55.1	Low	53.9	Low	141 Å²	141	137.1 Å²	137.1	66%	0.659	66%	0.662	S	S	*	*	H	α-helix	trans	-71.1	-34.7	177	-67.2	-169.2	157.7	0	0	112.1	D12 R16 R17 Q18	D12-E14 PolarHBondContact O-N 3.48Å; D12-E14 WeakPolarHBondContact OD1-CB 3.39Å; D12-E14 PolarHBondContact OD1-N 3.37Å; E14-R16 PolarHBondContact O-N 3.25Å; E14-R17 PolarHBondContact O-N 3.46Å; E14-Q18 PolarHBondContact O-N 2.84Å
15	R	55.4	Low	55.3	Low	164 Å²	164	135.8 Å²	135.8	62%	0.619	65%	0.65	S	S	*	*	H	α-helix	trans	-66.6	-37.7	177.9	-164.7	175.6	178.6	179.2	1.6	112.4	D12 Q18 E19	D12-R15 PolarHBondContact O-N 2.97Å; R15-Q18 PolarHBondContact O-N 3.48Å; R15-E19 PolarHBondContact O-N 3.44Å; R15-E19 VanDerWaalsContact O-N 3.16Å
16	R	57	Low	56.6	Low	168 Å²	168	132.1 Å²	132.1	63%	0.634	63%	0.632	S	S	*	*	H	α-helix	trans	-65.8	-37.1	174.1	-83.6	-170	-149	-159.6	5.3	112.6	E14 F20	E14-R16 PolarHBondContact O-N 3.25Å; R16-F20 PolarHBondContact O-N 2.98Å
17	R	57.6	Low	58	Low	208 Å²	208	133.4 Å²	133.4	79%	0.785	63%	0.627	S	S	*	*	H	α-helix	trans	-65.4	-40.2	177.2	-87.1	-176.3	-179.6	176.2	1.4	111.9	P13 E14 F20 A21	P13-R17 PolarHBondContact O-N 3.25Å; E14-R17 PolarHBondContact O-N 3.46Å; R17-F20 PolarHBondContact O-N 2.66Å; R17-A21 WeakPolarHBondContact O-CB 3.26Å; R17-A21 PolarHBondContact O-N 2.84Å
18	Q	61.4	Low	59.8	Low	143 Å²	143	126.9 Å²	126.9	67%	0.668	61%	0.612	S	S	*	*	H	α-helix	trans	-66	-42.3	176.8	-74.4	-178.7	-14.7	0	0	112.5	E14 R15 F20 A21 H22	E14-Q18 PolarHBondContact O-N 2.84Å; R15-Q18 PolarHBondContact O-N 3.48Å; Q18-F20 PolarHBondContact O-N 3.38Å; Q18-A21 PolarHBondContact O-N 3.36Å; Q18-H22 PolarHBondContact O-N 2.87Å
19	E	62.3	Low	61.4	Low	107 Å²	107	128.4 Å²	128.4	50%	0.5	61%	0.607	S	S	.	*	H	α-helix	trans	-64.8	-37.7	176.1	-74.9	-179.3	179.2	0	0	112.7	R15 R23	R15-E19 PolarHBondContact O-N 3.44Å; R15-E19 VanDerWaalsContact O-N 3.16Å; E19-R23 WeakPolarHBondContact O-CG 3.43Å; E19-R23 PolarHBondContact O-N 2.99Å; E19-R23 VanDerWaalsContact O-N 3.08Å
20	F	63.6	Low	63.2	Low	163 Å²	163	128.2 Å²	128.2	72%	0.715	60%	0.599	S	S	*	*	H	α-helix	trans	-67.5	-42.4	175.6	-119.2	-89.1	0	0	0	112.3	R16 R17 Q18 H22 R23 A24	R16-F20 PolarHBondContact O-N 2.98Å; R17-F20 PolarHBondContact O-N 2.66Å; Q18-F20 PolarHBondContact O-N 3.38Å; F20-H22 VanDerWaalsContact C-N 3.34Å; F20-H22 PolarHBondContact O-N 3.45Å; F20-R23 PolarHBondContact O-N 3.12Å; F20-A24 WeakPolarHBondContact O-CB 3.36Å; F20-A24 PolarHBondContact O-N 3.08Å
21	A	65.4	Low	64.8	Low	55 Å²	55	126.6 Å²	126.6	46%	0.455	59%	0.589	S	S	.	*	H	α-helix	trans	-62.9	-40.7	177.3	0	0	0	0	0	111.8	R17 Q18 A24 Q25	R17-A21 WeakPolarHBondContact O-CB 3.26Å; R17-A21 PolarHBondContact O-N 2.84Å; Q18-A21 PolarHBondContact O-N 3.36Å; A21-A24 PolarHBondContact O-N 2.75Å; A21-Q25 PolarHBondContact O-N 2.9Å
22	H	67.1	Low	66.2	Low	117 Å²	117	127.7 Å²	127.7	54%	0.542	59%	0.591	S	S	.	*	H	α-helix	trans	-66.4	-41.5	176.7	-171.4	-91.6	0	0	0	112.4	Q18 F20 Q25 L26	Q18-H22 PolarHBondContact O-N 2.87Å; F20-H22 VanDerWaalsContact C-N 3.34Å; F20-H22 PolarHBondContact O-N 3.45Å; H22-Q25 PolarHBondContact O-N 3.38Å; H22-L26 PolarHBondContact O-N 2.9Å; H22-L26 VanDerWaalsContact O-N 3.08Å
23	R	67	Low	67.6	Low	169 Å²	169	126 Å²	126	64%	0.638	59%	0.589	S	S	*	*	H	α-helix	trans	-65.7	-40	174.8	-75.4	-177	180	-173	1.6	112.4	E19 F20 L26 F27	E19-R23 WeakPolarHBondContact O-CG 3.43Å; E19-R23 PolarHBondContact O-N 2.99Å; E19-R23 VanDerWaalsContact O-N 3.08Å; F20-R23 PolarHBondContact O-N 3.12Å; R23-L26 PolarHBondContact O-N 3.38Å; R23-F27 WeakPolarHBondContact O-CD2 3.25Å; R23-F27 PolarHBondContact O-N 3.42Å
24	A	66.5	Low	69	Low	59 Å²	59	126.3 Å²	126.3	49%	0.488	58%	0.584	S	S	.	*	H	α-helix	trans	-63.9	-40.6	176.9	0	0	0	0	0	112.1	F20 A21 F27 A28	F20-A24 WeakPolarHBondContact O-CB 3.36Å; F20-A24 PolarHBondContact O-N 3.08Å; A21-A24 PolarHBondContact O-N 2.75Å; A24-F27 PolarHBondContact O-N 2.96Å; A24-A28 WeakPolarHBondContact O-CB 3.26Å; A24-A28 PolarHBondContact O-N 3.23Å
25	Q	69.6	Low	70.4	Confident	124 Å²	124	122.1 Å²	122.1	58%	0.579	57%	0.574	S	S	*	*	H	α-helix	trans	-65.5	-38.7	174.7	-79.4	-178.7	-22.5	0	0	112.8	A21 H22 A28 R29	A21-Q25 PolarHBondContact O-N 2.9Å; H22-Q25 PolarHBondContact O-N 3.38Å; Q25-A28 PolarHBondContact O-N 2.9Å; Q25-R29 WeakPolarHBondContact O-CG 3.34Å; Q25-R29 PolarHBondContact O-N 3.16Å; Q25-R29 VanDerWaalsContact O-N 3.12Å
26	L	70	Confident	72	Confident	78 Å²	78	116.9 Å²	116.9	41%	0.408	57%	0.566	S	S	.	*	H	α-helix	trans	-63.7	-46.4	173.9	-78.6	166	0	0	0	111.4	H22 R23 A28 R29 W30	H22-L26 PolarHBondContact O-N 2.9Å; H22-L26 VanDerWaalsContact O-N 3.08Å; R23-L26 PolarHBondContact O-N 3.38Å; L26-A28 PolarHBondContact O-N 3.35Å; L26-R29 PolarHBondContact O-N 2.92Å; L26-W30 VanDerWaalsContact O-CD1 3.28Å; L26-W30 PolarHBondContact O-N 3.25Å; L26-W30 VanDerWaalsContact O-N 3.1Å
27	F	70.8	Confident	73.5	Confident	149 Å²	149	113.1 Å²	113.1	65%	0.654	56%	0.561	S	S	*	*	H	α-helix	trans	-60.7	-42.1	176.6	-97.3	-81.7	0	0	0	112.5	R23 A24 R29 W30 Q31	R23-F27 WeakPolarHBondContact O-CD2 3.25Å; R23-F27 PolarHBondContact O-N 3.42Å; A24-F27 PolarHBondContact O-N 2.96Å; F27-R29 VanDerWaalsContact C-N 3.34Å; F27-R29 PolarHBondContact O-N 3.37Å; F27-W30 PolarHBondContact O-N 2.91Å; F27-Q31 WeakPolarHBondContact O-CG 3.48Å; F27-Q31 PolarHBondContact O-N 3.31Å
28	A	73.8	Confident	75	Confident	51 Å²	51	105.5 Å²	105.5	42%	0.421	54%	0.543	S	S	.	.	H	α-helix	trans	-61.7	-40.8	176.6	0	0	0	0	0	112.3	A24 Q25 L26 W30 Q31 I32	A24-A28 WeakPolarHBondContact O-CB 3.26Å; A24-A28 PolarHBondContact O-N 3.23Å; Q25-A28 PolarHBondContact O-N 2.9Å; L26-A28 PolarHBondContact O-N 3.35Å; A28-W30 PolarHBondContact O-N 3.06Å; A28-Q31 PolarHBondContact O-N 3.4Å; A28-I32 VanDerWaalsContact O-CG1 3.28Å; A28-I32 WeakPolarHBondContact O-CG1 3.35Å; A28-I32 PolarHBondContact O-N 2.79Å
29	R	78	Confident	76.3	Confident	179 Å²	179	102.8 Å²	102.8	68%	0.675	54%	0.538	S	S	*	.	H	α-helix	trans	-64.5	-39	176.2	-72.4	178.2	179.7	-172.4	1.7	112.5	Q25 L26 F27 I32 A33	Q25-R29 WeakPolarHBondContact O-CG 3.34Å; Q25-R29 PolarHBondContact O-N 3.16Å; Q25-R29 VanDerWaalsContact O-N 3.12Å; L26-R29 PolarHBondContact O-N 2.92Å; F27-R29 VanDerWaalsContact C-N 3.34Å; F27-R29 PolarHBondContact O-N 3.37Å; R29-I32 PolarHBondContact O-N 2.87Å; R29-A33 PolarHBondContact O-N 2.04Å
30	W	77.9	Confident	77.7	Confident	179 Å²	179	102.4 Å²	102.4	68%	0.678	54%	0.543	S	S	*	.	H	α-helix	trans	-66.2	-40	174.9	-86	96.8	0	0	0	112.7	L26 F27 A28 A33 L34	L26-W30 VanDerWaalsContact O-CD1 3.28Å; L26-W30 PolarHBondContact O-N 3.25Å; L26-W30 VanDerWaalsContact O-N 3.1Å; F27-W30 PolarHBondContact O-N 2.91Å; A28-W30 PolarHBondContact O-N 3.06Å; W30-A33 PolarHBondContact O-N 2.86Å; W30-L34 WeakPolarHBondContact O-CB 3.41Å; W30-L34 PolarHBondContact O-N 2.98Å
31	Q	75.9	Confident	78.8	Confident	123 Å²	123	100 Å²	100	58%	0.575	54%	0.538	S	S	*	.	H	α-helix	trans	-64.9	-40.4	175.8	-71.6	-65.3	-20.9	0	0	112.1	F27 A28 L34 A35	F27-Q31 WeakPolarHBondContact O-CG 3.48Å; F27-Q31 PolarHBondContact O-N 3.31Å; A28-Q31 PolarHBondContact O-N 3.4Å; Q31-L34 PolarHBondContact O-N 3.39Å; Q31-A35 WeakPolarHBondContact O-CB 3.42Å; Q31-A35 PolarHBondContact O-N 2.02Å
32	I	85.8	Confident	80	Confident	123 Å²	123	103 Å²	103	63%	0.631	55%	0.545	S	S	*	.	H	α-helix	trans	-63.6	-41.9	175	-66.8	164.8	0	0	0	110.8	A28 R29 A35 A36	A28-I32 VanDerWaalsContact O-CG1 3.28Å; A28-I32 WeakPolarHBondContact O-CG1 3.35Å; A28-I32 PolarHBondContact O-N 2.79Å; R29-I32 PolarHBondContact O-N 2.87Å; I32-A35 PolarHBondContact O-N 3.44Å; I32-A36 WeakPolarHBondContact O-CB 3.48Å; I32-A36 PolarHBondContact O-N 2.68Å
33	A	84.7	Confident	81	Confident	50 Å²	50	99.9 Å²	99.9	41%	0.413	54%	0.54	S	S	.	.	H	α-helix	trans	-64.3	-43.7	176.9	0	0	0	0	0	112.3	R29 W30 A36 V37	R29-A33 PolarHBondContact O-N 2.04Å; W30-A33 PolarHBondContact O-N 2.86Å; A33-A36 PolarHBondContact O-N 3.25Å; A33-V37 WeakPolarHBondContact O-CG2 2.91Å; A33-V37 PolarHBondContact O-N 3.42Å
34	L	83.4	Confident	81.9	Confident	102 Å²	102	94.4 Å²	94.4	53%	0.534	53%	0.53	S	S	.	.	H	α-helix	trans	-62.1	-44.1	175.6	-89.9	155.7	0	0	0	112.1	W30 Q31 A36 V37 A38	W30-L34 WeakPolarHBondContact O-CB 3.41Å; W30-L34 PolarHBondContact O-N 2.98Å; Q31-L34 PolarHBondContact O-N 3.39Å; L34-A36 VanDerWaalsContact C-N 3.35Å; L34-A36 PolarHBondContact O-N 3.01Å; L34-V37 PolarHBondContact O-N 3.26Å; L34-A38 WeakPolarHBondContact O-CB 3.28Å; L34-A38 PolarHBondContact O-N 3.32Å
35	A	86.3	Confident	82.8	Confident	54 Å²	54	97.2 Å²	97.2	45%	0.446	54%	0.535	S	S	.	.	H	α-helix	trans	-63	-41.1	176.5	0	0	0	0	0	111.8	Q31 I32 A38 C39	Q31-A35 WeakPolarHBondContact O-CB 3.42Å; Q31-A35 PolarHBondContact O-N 2.02Å; I32-A35 PolarHBondContact O-N 3.44Å; A35-A38 PolarHBondContact O-N 2.67Å; A35-C39 PolarHBondContact O-N 3.37Å; A35-C39 PolarHBondContact O-SG 3.04Å
36	A	88	Confident	83.4	Confident	54 Å²	54	93.7 Å²	93.7	45%	0.446	53%	0.527	S	S	.	.	H	α-helix	trans	-62.8	-43.8	176.6	0	0	0	0	0	112.1	I32 A33 L34 C39 V40	I32-A36 WeakPolarHBondContact O-CB 3.48Å; I32-A36 PolarHBondContact O-N 2.68Å; A33-A36 PolarHBondContact O-N 3.25Å; L34-A36 VanDerWaalsContact C-N 3.35Å; L34-A36 PolarHBondContact O-N 3.01Å; A36-C39 PolarHBondContact O-N 3.33Å; A36-V40 WeakPolarHBondContact O-CG2 2.95Å; A36-V40 PolarHBondContact O-N 3.48Å
37	V	89.2	Confident	84	Confident	89 Å²	89	94.8 Å²	94.8	54%	0.539	53%	0.533	S	S	.	.	H	α-helix	trans	-63	-43.8	175.9	173.1	0	0	0	0	111	A33 L34 C39 V40 L41	A33-V37 WeakPolarHBondContact O-CG2 2.91Å; A33-V37 PolarHBondContact O-N 3.42Å; L34-V37 PolarHBondContact O-N 3.26Å; V37-C39 PolarHBondContact O-N 2.99Å; V37-V40 PolarHBondContact O-N 2.95Å; V37-L41 HydrophobicContact CG1-CD1 4.08Å; V37-L41 HydrophobicContact CG1-CG 4.48Å; V37-L41 WeakPolarHBondContact O-CG 2.97Å; V37-L41 PolarHBondContact O-N 3.41Å
38	A	87.4	Confident	84.5	Confident	47 Å²	47	95 Å²	95	39%	0.388	53%	0.53	S	S	.	.	H	α-helix	trans	-61	-42.7	176.7	0	0	0	0	0	112.1	L34 A35 V40 L41 L42	L34-A38 WeakPolarHBondContact O-CB 3.28Å; L34-A38 PolarHBondContact O-N 3.32Å; A35-A38 PolarHBondContact O-N 2.67Å; A38-V40 PolarHBondContact O-N 3.44Å; A38-L41 PolarHBondContact O-N 2.88Å; A38-L42 WeakPolarHBondContact O-CG 3.36Å; A38-L42 PolarHBondContact O-N 2.75Å
39	C	90.3	Very high	84.5	Confident	86 Å²	86	97.5 Å²	97.5	58%	0.581	54%	0.537	S	S	*	.	H	α-helix	trans	-62.1	-41.4	175.4	-76.9	0	0	0	0	112.5	A35 A36 V37 L42 A43	A35-C39 PolarHBondContact O-N 3.37Å; A35-C39 PolarHBondContact O-SG 3.04Å; A36-C39 PolarHBondContact O-N 3.33Å; V37-C39 PolarHBondContact O-N 2.99Å; C39-L42 PolarHBondContact O-N 3.39Å; C39-A43 WeakPolarHBondContact O-CB 3.39Å; C39-A43 PolarHBondContact O-N 3.25Å
40	V	90.9	Very high	84.5	Confident	100 Å²	100	95.6 Å²	95.6	61%	0.606	54%	0.538	S	S	*	.	H	α-helix	trans	-64.5	-41.6	176.8	172.5	0	0	0	0	111.2	A36 V37 A38 A43 A44	A36-V40 WeakPolarHBondContact O-CG2 2.95Å; A36-V40 PolarHBondContact O-N 3.48Å; V37-V40 PolarHBondContact O-N 2.95Å; A38-V40 PolarHBondContact O-N 3.44Å; V40-A43 PolarHBondContact O-N 2.97Å; V40-A44 WeakPolarHBondContact O-CB 3.27Å; V40-A44 PolarHBondContact O-N 2.86Å
41	L	87.9	Confident	84.3	Confident	113 Å²	113	93.1 Å²	93.1	59%	0.592	54%	0.538	S	S	*	.	H	α-helix	trans	-65.9	-40.6	177.8	-70.6	172.9	0	0	0	112.3	V37 A38 A44 M45	V37-L41 HydrophobicContact CG1-CD1 4.08Å; V37-L41 HydrophobicContact CG1-CG 4.48Å; V37-L41 WeakPolarHBondContact O-CG 2.97Å; V37-L41 PolarHBondContact O-N 3.41Å; A38-L41 PolarHBondContact O-N 2.88Å; L41-A44 PolarHBondContact O-N 3.26Å; L41-M45 WeakPolarHBondContact O-CB 3.31Å; L41-M45 PolarHBondContact O-N 2.79Å
42	L	88.8	Confident	83.7	Confident	116 Å²	116	89.9 Å²	89.9	61%	0.607	53%	0.526	S	S	*	.	H	α-helix	trans	-65.7	-41.5	175.4	-73.1	171.3	0	0	0	111.7	A38 C39 M45 A46	A38-L42 WeakPolarHBondContact O-CG 3.36Å; A38-L42 PolarHBondContact O-N 2.75Å; C39-L42 PolarHBondContact O-N 3.39Å; L42-M45 PolarHBondContact O-N 3.29Å; L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 3.09Å
43	A	88.6	Confident	82.3	Confident	52 Å²	52	89.9 Å²	89.9	43%	0.43	53%	0.534	S	S	.	.	H	α-helix	trans	-63.1	-42.3	175	0	0	0	0	0	111.6	C39 V40 A46 L47	C39-A43 WeakPolarHBondContact O-CB 3.39Å; C39-A43 PolarHBondContact O-N 3.25Å; V40-A43 PolarHBondContact O-N 2.97Å; A43-A46 PolarHBondContact O-N 2.92Å; A43-L47 WeakPolarHBondContact O-CB 3.38Å; A43-L47 PolarHBondContact O-N 2.81Å
44	A	86.6	Confident	80.8	Confident	54 Å²	54	99.3 Å²	99.3	45%	0.446	56%	0.559	S	S	.	*	H	α-helix	trans	-63.9	-40.6	175.9	0	0	0	0	0	112.2	V40 L41 L47 Y48	V40-A44 WeakPolarHBondContact O-CB 3.27Å; V40-A44 PolarHBondContact O-N 2.86Å; L41-A44 PolarHBondContact O-N 3.26Å; A44-L47 PolarHBondContact O-N 3.07Å; A44-Y48 WeakPolarHBondContact O-CB 3.38Å; A44-Y48 PolarHBondContact O-N 3.28Å
45	M	84	Confident	78.8	Confident	119 Å²	119	99.2 Å²	99.2	59%	0.586	57%	0.573	S	S	*	*	H	α-helix	trans	-67.1	-39.9	176.4	-169.7	-174.9	-69.5	0	0	111.9	L41 L42 Y48 N49	L41-M45 WeakPolarHBondContact O-CB 3.31Å; L41-M45 PolarHBondContact O-N 2.79Å; L42-M45 PolarHBondContact O-N 3.29Å; M45-Y48 PolarHBondContact O-N 2.81Å; M45-N49 PolarHBondContact O-N 2.9Å; M45-N49 PolarHBondContact O-ND2 3.19Å; M45-N49 VanDerWaalsContact O-ND2 3.16Å
46	A	83.1	Confident	76.7	Confident	49 Å²	49	101.4 Å²	101.4	41%	0.405	59%	0.591	S	S	.	*	H	α-helix	trans	-64	-45.1	174.2	0	0	0	0	0	111.3	L42 A43 Y48 N49 I50	L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 3.09Å; A43-A46 PolarHBondContact O-N 2.92Å; A46-Y48 VanDerWaalsContact C-N 3.35Å; A46-Y48 PolarHBondContact O-N 2.78Å; A46-N49 PolarHBondContact O-N 2.93Å; A46-I50 WeakPolarHBondContact O-CD1 3.21Å; A46-I50 VanDerWaalsContact O-CG1 3.26Å; A46-I50 WeakPolarHBondContact O-CG1 3.48Å; A46-I50 PolarHBondContact O-N 2.86Å
47	L	83.4	Confident	74.2	Confident	101 Å²	101	102.3 Å²	102.3	53%	0.529	61%	0.606	S	S	.	*	H	α-helix	trans	-61.1	-41.8	174	-105.3	128.1	0	0	0	112	A43 A44 N49 I50 L51	A43-L47 WeakPolarHBondContact O-CB 3.38Å; A43-L47 PolarHBondContact O-N 2.81Å; A44-L47 PolarHBondContact O-N 3.07Å; L47-N49 VanDerWaalsContact C-N 3.33Å; L47-N49 PolarHBondContact O-N 3.24Å; L47-I50 PolarHBondContact O-N 3.42Å; L47-L51 HydrophobicContact CD2-CD1 3.66Å; L47-L51 HydrophobicContact CD2-CG 4.35Å; L47-L51 VanDerWaalsContact O-CB 3.25Å; L47-L51 WeakPolarHBondContact O-CB 3.34Å; L47-L51 VanDerWaalsContact O-CG 3.26Å; L47-L51 WeakPolarHBondContact O-CG 3.4Å; L47-L51 PolarHBondContact O-N 3.23Å
48	Y	81.4	Confident	71.4	Confident	155 Å²	155	103.2 Å²	103.2	61%	0.608	62%	0.616	S	S	*	*	H	α-helix	trans	-59.8	-44.3	175.3	179.4	-97	0	0	0	111.5	A44 M45 A46 I50 L51 T52	A44-Y48 WeakPolarHBondContact O-CB 3.38Å; A44-Y48 PolarHBondContact O-N 3.28Å; M45-Y48 PolarHBondContact O-N 2.81Å; A46-Y48 VanDerWaalsContact C-N 3.35Å; A46-Y48 PolarHBondContact O-N 2.78Å; Y48-I50 VanDerWaalsContact C-N 3.32Å; Y48-I50 PolarHBondContact O-N 3.33Å; Y48-L51 PolarHBondContact O-N 2.7Å; Y48-T52 HydrophobicContact CD1-CG2 4.49Å; Y48-T52 HydrophobicContact CD2-CG2 4.15Å; Y48-T52 HydrophobicContact CE1-CG2 4.18Å; Y48-T52 HydrophobicContact CE2-CG2 3.8Å; Y48-T52 HydrophobicContact CG-CG2 4.48Å; Y48-T52 WeakPolarHBondContact O-CB 3.4Å; Y48-T52 WeakPolarHBondContact O-CG2 3.38Å; Y48-T52 PolarHBondContact O-N 2.78Å; Y48-T52 PolarHBondContact O-OG1 3.46Å
49	N	73.5	Confident	68.8	Low	103 Å²	103	107.4 Å²	107.4	55%	0.551	64%	0.637	S	S	*	*	H	α-helix	trans	-70.7	-25.4	178.6	-73.9	-37.1	0	0	0	113.7	M45 A46 L47	M45-N49 PolarHBondContact O-N 2.9Å; M45-N49 PolarHBondContact O-ND2 3.19Å; M45-N49 VanDerWaalsContact O-ND2 3.16Å; A46-N49 PolarHBondContact O-N 2.93Å; L47-N49 VanDerWaalsContact C-N 3.33Å; L47-N49 PolarHBondContact O-N 3.24Å
50	I	76.5	Confident	65.9	Low	139 Å²	139	109.8 Å²	109.8	71%	0.713	65%	0.649	S	S	*	*	H	α-helix	trans	-82	-39.5	175.5	-68.8	163.8	0	0	0	111.1	A46 L47 Y48	A46-I50 WeakPolarHBondContact O-CD1 3.21Å; A46-I50 VanDerWaalsContact O-CG1 3.26Å; A46-I50 WeakPolarHBondContact O-CG1 3.48Å; A46-I50 PolarHBondContact O-N 2.86Å; L47-I50 PolarHBondContact O-N 3.42Å; Y48-I50 VanDerWaalsContact C-N 3.32Å; Y48-I50 PolarHBondContact O-N 3.33Å
51	L	74.8	Confident	63.2	Low	127 Å²	127	113.2 Å²	113.2	67%	0.665	66%	0.663	S	S	*	*	H	α-helix	trans	-84	-13.4	-176.4	-67.9	174	0	0	0	113.4	L47 Y48 P53	L47-L51 HydrophobicContact CD2-CD1 3.66Å; L47-L51 HydrophobicContact CD2-CG 4.35Å; L47-L51 VanDerWaalsContact O-CB 3.25Å; L47-L51 WeakPolarHBondContact O-CB 3.34Å; L47-L51 VanDerWaalsContact O-CG 3.26Å; L47-L51 WeakPolarHBondContact O-CG 3.4Å; L47-L51 PolarHBondContact O-N 3.23Å; Y48-L51 PolarHBondContact O-N 2.7Å; L51-P53 WeakPolarHBondContact O-CD 3.39Å
52	T	62.4	Low	60.5	Low	54 Å²	54	112.7 Å²	112.7	33%	0.331	68%	0.675	S	S	.	*	S	Bend	trans	-92.8	112.3	172.8	49.7	0	0	0	0	110.1	Y48 R54	Y48-T52 HydrophobicContact CD1-CG2 4.49Å; Y48-T52 HydrophobicContact CD2-CG2 4.15Å; Y48-T52 HydrophobicContact CE1-CG2 4.18Å; Y48-T52 HydrophobicContact CE2-CG2 3.8Å; Y48-T52 HydrophobicContact CG-CG2 4.48Å; Y48-T52 WeakPolarHBondContact O-CB 3.4Å; Y48-T52 WeakPolarHBondContact O-CG2 3.38Å; Y48-T52 PolarHBondContact O-N 2.78Å; Y48-T52 PolarHBondContact O-OG1 3.46Å; T52-R54 PolarHBondContact O-N 2.69Å
53	P	56.8	Low	57.7	Low	123 Å²	123	111 Å²	111	80%	0.799	69%	0.685	S	S	*	*			trans	-66.1	121.1	176.5	21.7	-25.7	0	0	0	109.6	L51 A55	L51-P53 WeakPolarHBondContact O-CD 3.39Å; P53-A55 PolarHBondContact O-N 2.95Å
54	R	52.6	Low	54.7	Low	248 Å²	248	113.8 Å²	113.8	94%	0.936	70%	0.702	S	S	*	*			trans	-62.5	106.5	166.2	-84.8	-178.7	170.9	162.7	-2.7	108.2	T52 A56	T52-R54 PolarHBondContact O-N 2.69Å; R54-A56 PolarHBondContact O-N 2.9Å
55	A	42.6	Very low	52.3	Low	101 Å²	101	117.8 Å²	117.8	84%	0.835	72%	0.72	S	S	*	*			trans	-66.3	100.5	169.7	0	0	0	0	0	109	P53 G57	P53-A55 PolarHBondContact O-N 2.95Å; A55-G57 PolarHBondContact O-N 2.82Å
56	A	42.8	Very low	49.6	Very low	99 Å²	99	121 Å²	121	82%	0.818	73%	0.732	S	S	*	*			trans	-74.3	98.2	161.3	0	0	0	0	0	107.5	R54 S58	R54-A56 PolarHBondContact O-N 2.9Å; A56-S58 PolarHBondContact O-N 3.22Å
57	G	34.3	Very low	47.2	Very low	74 Å²	74	127.9 Å²	127.9	76%	0.763	76%	0.755	S	S	*	*			trans	-79.8	100.7	177.8	0	0	0	0	0	111.6	A55	A55-G57 PolarHBondContact O-N 2.82Å
58	S	30.4	Very low	44.7	Very low	108 Å²	108	131 Å²	131	76%	0.755	77%	0.767	S	S	*	*			trans	-71.1	130.8	156.9	50.3	0	0	0	0	110	A56	A56-S58 PolarHBondContact O-N 3.22Å
59	V	33	Very low	42.3	Very low	135 Å²	135	129.3 Å²	129.3	82%	0.818	78%	0.775	S	S	*	*			trans	-77.7	121.9	177.3	175.3	0	0	0	0	110.4
60	T	29.5	Very low	40.2	Very low	135 Å²	135	128.5 Å²	128.5	83%	0.828	78%	0.782	S	S	*	*			trans	-142.6	128.6	155.2	40.6	0	0	0	0	109.6
61	L	34.3	Very low	38	Very low	173 Å²	173	126 Å²	126	91%	0.906	78%	0.778	S	S	*	*			trans	-66.6	135.1	179.4	-91.2	98.7	0	0	0	113.1
62	A	30.4	Very low	36.3	Very low	102 Å²	102	128.3 Å²	128.3	84%	0.843	79%	0.788	S	S	*	*			trans	-160.7	138.9	137.5	0	0	0	0	0	109.1
63	G	30.4	Very low	35	Very low	80 Å²	80	131.1 Å²	131.1	83%	0.825	81%	0.811	S	S	*	*			trans	-74.8	150.1	-163.5	0	0	0	0	0	116.1
64	S	26.5	Very low	33.9	Very low	111 Å²	111	129.3 Å²	129.3	78%	0.776	80%	0.801	S	S	*	*			trans	179.8	135.3	134.9	53.2	0	0	0	0	109.2	F66	S64-F66 PolarHBondContact O-N 2.95Å
65	T	35.7	Very low	33	Very low	137 Å²	137	128.7 Å²	128.7	84%	0.84	80%	0.799	S	S	*	*			trans	-57.6	119.6	-178.1	-7.6	0	0	0	0	112.7
66	F	27.1	Very low	32.8	Very low	188 Å²	188	132.1 Å²	132.1	83%	0.825	80%	0.802	S	S	*	*			trans	-147.4	114.4	154.6	-97.7	-82.5	0	0	0	109.4	S64	S64-F66 PolarHBondContact O-N 2.95Å
67	Q	33.8	Very low	32.5	Very low	193 Å²	193	135.7 Å²	135.7	90%	0.902	80%	0.802	S	S	*	*			trans	-76.7	116.6	171	-79.8	174.3	-27.9	0	0	109.1
68	H	29.3	Very low	33.1	Very low	166 Å²	166	138.8 Å²	138.8	77%	0.769	80%	0.796	S	S	*	*			trans	-117.6	146.4	157.7	-90.2	-60.7	0	0	0	109.5	A70	H68-A70 PolarHBondContact O-N 2.94Å
69	P	31	Very low	33.6	Very low	120 Å²	120	139.4 Å²	139.4	78%	0.779	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-69.2	128.1	-167.9	-7.3	22.9	0	0	0	110	S71	P69-S71 PolarHBondContact O-N 3.21Å
70	A	30.2	Very low	34.6	Very low	85 Å²	85	138.2 Å²	138.2	70%	0.702	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-56.3	130.9	175.5	0	0	0	0	0	110.7	H68	H68-A70 PolarHBondContact O-N 2.94Å
71	S	31.1	Very low	35.8	Very low	88 Å²	88	139.5 Å²	139.5	62%	0.615	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-48.2	136.5	166.2	53.2	0	0	0	0	111.2	P69 S73	P69-S71 PolarHBondContact O-N 3.21Å; S71-S73 PolarHBondContact O-N 3.44Å
72	I	38.1	Very low	37.5	Very low	174 Å²	174	136.2 Å²	136.2	89%	0.892	78%	0.777	S	S	*	*	G	3₁₀ helix	trans	-60.2	-1.5	179.9	-66.5	166.9	0	0	0	113.5	S74	I72-S74 PolarHBondContact O-N 3.35Å
73	S	35.8	Very low	40	Very low	114 Å²	114	132.2 Å²	132.2	80%	0.797	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-83.5	-1.9	-174.8	-165.8	0	0	0	0	115.9	S71	S71-S73 PolarHBondContact O-N 3.44Å
74	S	33.1	Very low	42.6	Very low	85 Å²	85	133.3 Å²	133.3	59%	0.594	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-110.6	13.2	-173.7	79.5	0	0	0	0	115.5	I72	I72-S74 PolarHBondContact O-N 3.35Å
75	R	34.5	Very low	45.6	Very low	235 Å²	235	129.4 Å²	129.4	89%	0.887	71%	0.708	S	S	*	*	S	Bend	trans	-108.8	4.3	-178.8	-91.1	-170.8	-163.3	-157.9	5	115.9
76	L	38.2	Very low	48.2	Very low	172 Å²	172	127.6 Å²	127.6	90%	0.901	70%	0.698	S	S	*	*			trans	-114.5	23.9	176.2	-78.2	166.9	0	0	0	113.1	E78	L76-E78 PolarHBondContact O-N 2.78Å
77	Q	36.9	Very low	51.5	Low	175 Å²	175	118.7 Å²	118.7	82%	0.818	66%	0.659	S	S	*	*			trans	-95.6	58.8	166.6	-146	162.6	3.2	0	0	107.9	T79	Q77-T79 PolarHBondContact O-N 2.82Å; Q77-T79 VanDerWaalsContact O-N 3.12Å
78	E	45	Very low	54.5	Low	139 Å²	139	114.4 Å²	114.4	65%	0.65	64%	0.637	S	S	*	*			trans	-58.3	114.7	153.3	-84.5	-178.4	173	0	0	104.9	L76 V80	L76-E78 PolarHBondContact O-N 2.78Å; E78-V80 PolarHBondContact O-N 2.94Å
79	T	42.2	Very low	57.7	Low	121 Å²	121	106.5 Å²	106.5	74%	0.742	60%	0.601	S	S	*	*			trans	-50.2	114	170.7	44	0	0	0	0	106.8	Q77 E81	Q77-T79 PolarHBondContact O-N 2.82Å; Q77-T79 VanDerWaalsContact O-N 3.12Å; T79-E81 PolarHBondContact O-N 3.08Å
80	V	52.7	Low	60.9	Low	109 Å²	109	102.2 Å²	102.2	66%	0.661	57%	0.573	S	S	*	*			trans	-61.2	93.7	166.1	178.9	0	0	0	0	104.7	E78 S82	E78-V80 PolarHBondContact O-N 2.94Å; V80-S82 PolarHBondContact O-N 2.89Å; V80-S82 VanDerWaalsContact O-N 3.08Å
81	E	55.8	Low	64.2	Low	163 Å²	163	98.2 Å²	98.2	76%	0.762	54%	0.539	S	S	*	.			trans	-61.4	115.5	176	-144.1	169.9	-160.3	0	0	105.3	T79 C83	T79-E81 PolarHBondContact O-N 3.08Å; E81-C83 PolarHBondContact O-N 2.96Å
82	S	69.6	Low	67.4	Low	104 Å²	104	94.1 Å²	94.1	73%	0.727	51%	0.511	S	S	*	.			trans	-65.8	109	-177.7	63.9	0	0	0	0	107.7	V80 S84	V80-S82 PolarHBondContact O-N 2.89Å; V80-S82 VanDerWaalsContact O-N 3.08Å; S82-S84 PolarHBondContact O-N 3.03Å
83	C	82.5	Confident	70.3	Confident	18 Å²	18	86.1 Å²	86.1	12%	0.122	47%	0.469	C	S	.	.			trans	-67.9	117.5	176.6	-170.6	0	0	0	0	109.7	E81 C242 L281	E81-C83 PolarHBondContact O-N 2.96Å; C83-C242 HydrophobicContact CB-CB 3.79Å; C83-C242 WeakPolarHBondContact CB-SG 3.29Å; C83-C242 WeakPolarHBondContact SG-CB 3.38Å; C83-C242 CovalentContact SG-SG 2.02Å; C83-C242 PolarHBondContact SG-SG 2.94Å; C83-L281 HydrophobicContact CB-CD1 3.76Å
84	S	84.7	Confident	73.2	Confident	103 Å²	103	80.7 Å²	80.7	72%	0.72	43%	0.432	S	S	*	.			trans	-113.7	23.6	178.4	64.7	0	0	0	0	112.4	S82	S82-S84 PolarHBondContact O-N 3.03Å
85	D	91.1	Very high	76.3	Confident	29 Å²	29	79.4 Å²	79.4	16%	0.155	42%	0.417	C	S	.	.			trans	-62.1	135.5	-177.7	-76.2	-9	0	0	0	111.2	C87 S241 C242	D85-C87 VanDerWaalsContact CB-SG 3.53Å; D85-C87 PolarHBondContact O-N 2.72Å; D85-S241 PolarHBondContact OD1-OG 2.93Å; D85-S241 VanDerWaalsContact OD2-CA 3.31Å; D85-S241 WeakPolarHBondContact OD2-CA 3.48Å; D85-S241 WeakPolarHBondContact OD2-CB 3.32Å; D85-S241 PolarHBondContact OD2-N 2.61Å; D85-S241 PolarHBondContact OD2-OG 3.49Å; D85-C242 PolarHBondContact OD2-N 3.49Å; D85-C242 PolarHBondContact OD2-SG 3.06Å; D85-C242 VanDerWaalsContact OD2-SG 3.4Å
86	P	89.6	Confident	79.4	Confident	98 Å²	98	68.2 Å²	68.2	64%	0.636	38%	0.375	S	S	*	.			trans	-79.7	60.6	177.1	34.6	-35.9	0	0	0	110.6	K88 N239	P86-K88 PolarHBondContact O-N 2.73Å; P86-N239 HydrophobicContact CG-CB 4.47Å
87	C	96.1	Very high	82.2	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.014	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-63.5	130.6	-171.6	-59.7	0	0	0	0	111.7	D85 V237 Y238 C240 L283 L285 N286	D85-C87 VanDerWaalsContact CB-SG 3.53Å; D85-C87 PolarHBondContact O-N 2.72Å; C87-V237 HydrophobicContact CB-CG1 4.21Å; C87-Y238 WeakPolarHBondContact CA-O 3.21Å; C87-C240 HydrophobicContact CB-CB 3.64Å; C87-C240 WeakPolarHBondContact CB-SG 3.45Å; C87-C240 WeakPolarHBondContact SG-CA 3.16Å; C87-C240 WeakPolarHBondContact SG-CB 3.36Å; C87-C240 CovalentContact SG-SG 2.04Å; C87-C240 PolarHBondContact SG-SG 3.35Å; C87-L283 HydrophobicContact CB-CD1 3.9Å; C87-L285 HydrophobicContact CB-CD2 3.63Å; C87-N286 PolarHBondContact O-N 3.37Å
88	K	96.6	Very high	85	Confident	102 Å²	102	58.9 Å²	58.9	44%	0.443	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.3	172.8	-177.1	177.9	-179.4	166.7	0	110.6	P86 V90 V237 Y238 N286	P86-K88 PolarHBondContact O-N 2.73Å; K88-V90 HydrophobicContact CG-CG2 4.38Å; K88-V237 CarbonylContact O-C 3.23Å; K88-V237 WeakPolarHBondContact O-CA 3.39Å; K88-Y238 PolarHBondContact N-O 2.82Å; K88-Y238 PolarHBondContact O-N 2.92Å; K88-N286 VanDerWaalsContact CA-OD1 3.24Å; K88-N286 WeakPolarHBondContact CA-OD1 3.28Å; K88-N286 WeakPolarHBondContact CG-OD1 3.44Å
89	I	97.7	Very high	87.4	Confident	1 Å²	1	52.8 Å²	52.8	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	139.5	176.8	-175.4	160.6	0	0	0	111.2	A235 V236 V237 L285 N286 L448 V450 V460	I89-A235 HydrophobicContact CD1-CB 4.29Å; I89-A235 HydrophobicContact CG1-CB 4.37Å; I89-V236 CarbonylContact C-O 3.6Å; I89-V236 WeakPolarHBondContact CA-O 3.06Å; I89-V237 HydrophobicContact CB-CG1 4.47Å; I89-V237 HydrophobicContact CB-CG2 4.26Å; I89-V237 HydrophobicContact CD1-CG2 3.96Å; I89-V237 HydrophobicContact CG1-CG2 4.01Å; I89-L285 HydrophobicContact CB-CD1 4.48Å; I89-L285 HydrophobicContact CB-CD2 4.23Å; I89-L285 HydrophobicContact CD1-CD1 4.14Å; I89-L285 HydrophobicContact CG2-CB 3.74Å; I89-L285 HydrophobicContact CG2-CD1 4.09Å; I89-L285 HydrophobicContact CG2-CD2 4.24Å; I89-L285 HydrophobicContact CG2-CG 4.26Å; I89-N286 PolarHBondContact N-OD1 2.96Å; I89-N286 PolarHBondContact O-ND2 3.35Å; I89-N286 PolarHBondContact O-OD1 3.44Å; I89-L448 HydrophobicContact CD1-CD2 4.05Å; I89-V450 HydrophobicContact CD1-CG2 4.22Å; I89-V460 HydrophobicContact CB-CG2 4.1Å; I89-V460 HydrophobicContact CD1-CG1 4.26Å; I89-V460 HydrophobicContact CD1-CG2 3.88Å; I89-V460 HydrophobicContact CG1-CG2 3.78Å; I89-V460 HydrophobicContact CG2-CG2 3.23Å
90	V	98	Very high	89.8	Confident	30 Å²	30	54.6 Å²	54.6	18%	0.182	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	123.6	-179.8	-176.4	0	0	0	0	108.5	K88 V92 P108 A235 V236 Y238	K88-V90 HydrophobicContact CG-CG2 4.38Å; V90-V92 HydrophobicContact CG1-CG1 4.21Å; V90-P108 HydrophobicContact CG1-CG 3.97Å; V90-A235 WeakPolarHBondContact O-CA 3.41Å; V90-V236 PolarHBondContact N-O 2.94Å; V90-V236 PolarHBondContact O-N 2.83Å; V90-Y238 HydrophobicContact CG2-CD2 4.49Å; V90-Y238 HydrophobicContact CG2-CE2 4.2Å
91	L	98.4	Very high	91.8	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	139.6	166.1	-70.7	-179.6	0	0	0	109.7	S107 P108 A235 I430 V460 Q463 L464	L91-S107 WeakPolarHBondContact O-CB 3.33Å; L91-P108 WeakPolarHBondContact O-CD 3.28Å; L91-A235 HydrophobicContact CD2-CB 4.45Å; L91-I430 HydrophobicContact CD2-CD1 3.52Å; L91-V460 HydrophobicContact CD1-CG1 4.3Å; L91-V460 HydrophobicContact CD2-CG1 3.78Å; L91-V460 HydrophobicContact CG-CG1 3.98Å; L91-Q463 HydrophobicContact CD1-CB 3.56Å; L91-L464 HydrophobicContact CD1-CB 3.88Å; L91-L464 HydrophobicContact CD1-CD1 4.36Å
92	V	98.8	Very high	93.5	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.012	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.1	-178.1	-64.8	0	0	0	0	110.1	V90 P108 I110 A113 Y216 L233 G234 V236	V90-V92 HydrophobicContact CG1-CG1 4.21Å; V92-P108 VanDerWaalsContact CA-O 3.29Å; V92-P108 WeakPolarHBondContact CA-O 3.38Å; V92-P108 HydrophobicContact CG1-CB 4.46Å; V92-I110 HydrophobicContact CB-CG1 4.15Å; V92-I110 HydrophobicContact CG2-CG1 3.9Å; V92-A113 HydrophobicContact CB-CB 4.34Å; V92-A113 HydrophobicContact CG1-CB 3.71Å; V92-Y216 HydrophobicContact CG2-CD2 4.33Å; V92-Y216 HydrophobicContact CG2-CE2 4.01Å; V92-L233 WeakPolarHBondContact O-CA 3.39Å; V92-G234 WeakPolarHBondContact CG2-O 3.23Å; V92-G234 PolarHBondContact N-O 2.75Å; V92-G234 PolarHBondContact O-N 3.33Å; V92-V236 HydrophobicContact CG1-CG2 4.32Å; V92-V236 HydrophobicContact CG2-CG2 4.35Å
93	E	98.4	Very high	94.5	Very high	5 Å²	5	49.8 Å²	49.8	2%	0.023	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	138	-176.5	-65.5	-171.3	87.5	0	0	111.4	I95 P108 S109 K231 E232 L233 V467 R470	E93-I95 HydrophobicContact CB-CD1 4.11Å; E93-P108 PolarHBondContact N-O 3.02Å; E93-S109 VanDerWaalsContact O-CA 3.29Å; E93-S109 WeakPolarHBondContact O-CA 3.25Å; E93-K231 IonicContact OE1-NZ 3.95Å; E93-K231 PolarHBondContact OE1-NZ 2.8Å; E93-E232 VanDerWaalsContact CA-O 3.3Å; E93-E232 WeakPolarHBondContact CA-O 3.32Å; E93-L233 HydrophobicContact CG-CD1 4.04Å; E93-L233 HydrophobicContact CG-CG 4.44Å; E93-V467 WeakPolarHBondContact OE1-CG1 3.15Å; E93-R470 IonicContact OE1-CZ 2.77Å; E93-R470 IonicContact OE1-NH1 2.89Å; E93-R470 IonicContact OE1-NH2 3.47Å; E93-R470 PolarHBondContact OE1-NH2 2.84Å; E93-R470 IonicContact OE2-CZ 2.71Å; E93-R470 IonicContact OE2-NH1 3.23Å; E93-R470 PolarHBondContact OE2-NH1 3.47Å; E93-R470 IonicContact OE2-NH2 3.61Å; E93-R470 PolarHBondContact OE2-NH2 3.46Å
94	S	98.6	Very high	94.8	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.007	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.6	158.5	-60.2	0	0	0	0	108	S226 V230 K231 E232	S94-S226 WeakPolarHBondContact CB-O 3.41Å; S94-S226 PolarHBondContact OG-O 2.91Å; S94-V230 WeakPolarHBondContact CB-O 3.45Å; S94-K231 WeakPolarHBondContact O-CA 3.38Å; S94-E232 PolarHBondContact N-O 3.09Å; S94-E232 PolarHBondContact O-N 3.06Å; S94-E232 VanDerWaalsContact O-N 3.15Å
95	I	98.2	Very high	95	Very high	57 Å²	57	51.6 Å²	51.6	29%	0.292	30%	0.298	S	S	.	.			trans	-106.4	122.1	172.9	-56.2	-53.6	0	0	0	107.7	E93 M99 F101 K231	E93-I95 HydrophobicContact CB-CD1 4.11Å; I95-M99 HydrophobicContact CG2-CB 3.99Å; I95-M99 HydrophobicContact CG2-CG 4.33Å; I95-M99 HydrophobicContact CG2-SD 4.46Å; I95-F101 HydrophobicContact CD1-CE2 4.08Å; I95-F101 HydrophobicContact CG2-CE2 4.27Å; I95-K231 HydrophobicContact CD1-CD 4.42Å; I95-K231 VanDerWaalsContact CD1-NZ 3.26Å
96	P	98	Very high	95	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	33%	0.325	C	S	.	.			trans	-55	139.6	179.3	-27.9	34.7	0	0	0	112.4	G98 M99 T228 K231 V402	P96-G98 PolarHBondContact O-N 3.03Å; P96-M99 HydrophobicContact CB-CB 4.4Å; P96-M99 HydrophobicContact CG-SD 4.21Å; P96-M99 WeakPolarHBondContact O-CB 3.33Å; P96-M99 PolarHBondContact O-N 3.36Å; P96-T228 CarbonylContact C-O 3.51Å; P96-T228 WeakPolarHBondContact CA-O 3.37Å; P96-K231 HydrophobicContact CG-CB 3.85Å; P96-V402 HydrophobicContact CB-CG1 3.76Å; P96-V402 HydrophobicContact CG-CG1 3.72Å; P96-V402 HydrophobicContact CG-CG2 4.41Å
97	E	97.3	Very high	95.2	Very high	85 Å²	85	52 Å²	52	40%	0.397	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	137.7	177	-76	176.9	177.6	0	0	112	M99 S145 T228 Q229 Q408 R415	E97-M99 PolarHBondContact O-N 3.35Å; E97-S145 VanDerWaalsContact CD-CB 3.49Å; E97-S145 WeakPolarHBondContact OE1-CB 3.43Å; E97-S145 WeakPolarHBondContact OE2-CB 2.9Å; E97-T228 PolarHBondContact N-O 2.75Å; E97-Q229 VanDerWaalsContact CD-NE2 3.26Å; E97-Q229 PolarHBondContact OE2-NE2 3.45Å; E97-Q408 PolarHBondContact O-NE2 3.23Å; E97-R415 PolarHBondContact O-NH1 2.96Å; E97-R415 PolarHBondContact O-NH2 2.84Å
98	G	95.3	Very high	95.2	Very high	66 Å²	66	54.8 Å²	54.8	68%	0.68	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	1.3	-177.1	0	0	0	0	0	115.1	P96	P96-G98 PolarHBondContact O-N 3.03Å
99	M	95.2	Very high	95.3	Very high	11 Å²	11	51.3 Å²	51.3	5%	0.054	31%	0.312	C	S	.	.			trans	-93.1	129.5	171.7	-168	177.5	-161.1	0	0	110.3	I95 P96 E97 F101 K231 F400 V402 Y476	I95-M99 HydrophobicContact CG2-CB 3.99Å; I95-M99 HydrophobicContact CG2-CG 4.33Å; I95-M99 HydrophobicContact CG2-SD 4.46Å; P96-M99 HydrophobicContact CB-CB 4.4Å; P96-M99 HydrophobicContact CG-SD 4.21Å; P96-M99 WeakPolarHBondContact O-CB 3.33Å; P96-M99 PolarHBondContact O-N 3.36Å; E97-M99 PolarHBondContact O-N 3.35Å; M99-F101 HydrophobicContact CE-CE1 4.4Å; M99-F101 HydrophobicContact CE-CE2 4.41Å; M99-F101 HydrophobicContact CE-CZ 3.78Å; M99-F101 HydrophobicContact CG-CE2 4.43Å; M99-F101 HydrophobicContact SD-CE2 4.36Å; M99-F101 HydrophobicContact SD-CZ 4.27Å; M99-K231 HydrophobicContact SD-CD 4.34Å; M99-F400 HydrophobicContact CE-CE1 3.55Å; M99-F400 HydrophobicContact CE-CE2 4.35Å; M99-F400 HydrophobicContact CE-CZ 3.28Å; M99-V402 HydrophobicContact SD-CG1 4.39Å; M99-Y476 HydrophobicContact CE-CD1 4.08Å; M99-Y476 HydrophobicContact CE-CD2 3.06Å; M99-Y476 HydrophobicContact CE-CE1 4.44Å; M99-Y476 HydrophobicContact CE-CE2 3.46Å; M99-Y476 VanDerWaalsContact CE-CE2 3.46Å; M99-Y476 HydrophobicContact CE-CG 3.37Å; M99-Y476 HydrophobicContact CG-CD2 4.18Å; M99-Y476 HydrophobicContact CG-CE1 4.43Å; M99-Y476 HydrophobicContact CG-CE2 3.56Å; M99-Y476 HydrophobicContact SD-CD2 4.5Å; M99-Y476 HydrophobicContact SD-CE2 4.43Å
100	E	94.5	Very high	95.4	Very high	159 Å²	159	51.2 Å²	51.2	74%	0.743	31%	0.311	S	S	*	.			trans	-133.9	139.6	-176.4	-65.3	-175.1	174.2	0	0	110.8	Y476	E100-Y476 PolarHBondContact N-OH 2.99Å; E100-Y476 VanDerWaalsContact O-CE2 3.3Å; E100-Y476 WeakPolarHBondContact O-CE2 3.24Å; E100-Y476 PolarHBondContact O-OH 3.45Å
101	F	94.3	Very high	95.4	Very high	41 Å²	41	51.8 Å²	51.8	18%	0.18	31%	0.311	C	S	.	.			trans	-111.1	130.2	174	-65	-83.9	0	0	0	109.6	I95 M99 S103 K231 F400 R470 D471 Y476	I95-F101 HydrophobicContact CD1-CE2 4.08Å; I95-F101 HydrophobicContact CG2-CE2 4.27Å; M99-F101 HydrophobicContact CE-CE1 4.4Å; M99-F101 HydrophobicContact CE-CE2 4.41Å; M99-F101 HydrophobicContact CE-CZ 3.78Å; M99-F101 HydrophobicContact CG-CE2 4.43Å; M99-F101 HydrophobicContact SD-CE2 4.36Å; M99-F101 HydrophobicContact SD-CZ 4.27Å; F101-S103 PolarHBondContact O-N 2.93Å; F101-K231 HydrophobicContact CZ-CD 4.5Å; F101-F400 HydrophobicContact CZ-CZ 4.31Å; F101-R470 HydrophobicContact CB-CG 3.99Å; F101-R470 HydrophobicContact CD1-CG 3.7Å; F101-R470 HydrophobicContact CE1-CG 4.35Å; F101-R470 HydrophobicContact CG-CG 3.91Å; F101-D471 WeakPolarHBondContact CE1-OD1 3.39Å; F101-D471 VanDerWaalsContact CZ-OD1 3.25Å; F101-D471 WeakPolarHBondContact CZ-OD1 3.46Å; F101-Y476 HydrophobicContact CD1-CD2 4.44Å; F101-Y476 HydrophobicContact CD1-CE2 4.36Å; F101-Y476 AromaticContact CE1-CD2 3.88Å; F101-Y476 HydrophobicContact CE1-CD2 3.88Å; F101-Y476 HydrophobicContact CE1-CE2 4.13Å; F101-Y476 HydrophobicContact CZ-CD2 4.27Å; F101-Y476 HydrophobicContact CZ-CE2 4.43Å
102	N	90.7	Very high	95.4	Very high	180 Å²	180	57.1 Å²	57.1	96%	0.963	34%	0.336	S	S	*	.	S	Bend	trans	-78.9	67.9	167.9	-170.7	13	0	0	0	109.9
103	S	89.9	Confident	95.4	Very high	54 Å²	54	57.2 Å²	57.2	38%	0.378	34%	0.337	S	S	.	.	S	Bend	trans	-152.5	150.3	-176.9	176.6	0	0	0	0	110.7	F101 T105	F101-S103 PolarHBondContact O-N 2.93Å; S103-T105 VanDerWaalsContact C-N 3.28Å; S103-T105 WeakPolarHBondContact OG-CB 3.34Å; S103-T105 PolarHBondContact OG-N 3.34Å; S103-T105 PolarHBondContact OG-OG1 2.96Å
104	S	88.8	Confident	95.4	Very high	119 Å²	119	57 Å²	57	83%	0.832	34%	0.336	S	S	*	.	S	Bend	trans	-81	-6.7	171.1	60.3	0	0	0	0	113.4	S106	S104-S106 PolarHBondContact O-N 3.01Å; S104-S106 VanDerWaalsContact O-N 3.15Å
105	T	90.6	Very high	95.4	Very high	39 Å²	39	58.2 Å²	58.2	24%	0.239	34%	0.344	C	S	.	.			trans	-73.9	103.3	177.4	-56.7	0	0	0	0	110.2	S103 A466 V467 R470	S103-T105 VanDerWaalsContact C-N 3.28Å; S103-T105 WeakPolarHBondContact OG-CB 3.34Å; S103-T105 PolarHBondContact OG-N 3.34Å; S103-T105 PolarHBondContact OG-OG1 2.96Å; T105-A466 HydrophobicContact CG2-CB 3.93Å; T105-V467 HydrophobicContact CG2-CG2 3.88Å; T105-R470 WeakPolarHBondContact O-CD 3.38Å; T105-R470 PolarHBondContact O-NH1 3.37Å
106	S	89.3	Confident	95.5	Very high	104 Å²	104	60.6 Å²	60.6	73%	0.727	35%	0.349	S	S	*	.			trans	-127.8	155.1	176.2	63.8	0	0	0	0	111.2	S104	S104-S106 PolarHBondContact O-N 3.01Å; S104-S106 VanDerWaalsContact O-N 3.15Å
107	S	94.1	Very high	95.5	Very high	32 Å²	32	60.6 Å²	60.6	22%	0.224	35%	0.349	C	S	.	.			trans	-133.2	150.2	174	-70.4	0	0	0	0	108.4	L91	L91-S107 WeakPolarHBondContact O-CB 3.33Å
108	P	97.3	Very high	95.6	Very high	60 Å²	60	56.9 Å²	56.9	39%	0.39	33%	0.332	S	S	.	.			trans	-56.2	153	170.6	-23.7	34.5	0	0	0	111.7	V90 L91 V92 E93	V90-P108 HydrophobicContact CG1-CG 3.97Å; L91-P108 WeakPolarHBondContact O-CD 3.28Å; V92-P108 VanDerWaalsContact CA-O 3.29Å; V92-P108 WeakPolarHBondContact CA-O 3.38Å; V92-P108 HydrophobicContact CG1-CB 4.46Å; E93-P108 PolarHBondContact N-O 3.02Å
109	S	98.4	Very high	95.7	Very high	29 Å²	29	56.8 Å²	56.8	20%	0.203	32%	0.32	C	S	.	.			trans	-72.9	150.8	179.4	77.2	0	0	0	0	112.2	E93 F111 Q112 A113	E93-S109 VanDerWaalsContact O-CA 3.29Å; E93-S109 WeakPolarHBondContact O-CA 3.25Å; S109-F111 PolarHBondContact O-N 3.22Å; S109-Q112 VanDerWaalsContact N-OE1 3.1Å; S109-Q112 WeakPolarHBondContact O-CB 3.49Å; S109-Q112 PolarHBondContact O-N 2.82Å; S109-Q112 VanDerWaalsContact O-N 3.12Å; S109-Q112 VanDerWaalsContact OG-CG 3.3Å; S109-Q112 WeakPolarHBondContact OG-CG 3.32Å; S109-Q112 PolarHBondContact OG-N 3.11Å; S109-Q112 VanDerWaalsContact OG-N 3.09Å; S109-A113 PolarHBondContact O-N 3.04Å
110	I	98.8	Very high	95.9	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-58.1	-39.2	173.8	-64.5	179.3	0	0	0	110.3	V92 Q112 A113 W114 Y216 A220 L227 E232	V92-I110 HydrophobicContact CB-CG1 4.15Å; V92-I110 HydrophobicContact CG2-CG1 3.9Å; I110-Q112 PolarHBondContact O-N 3.41Å; I110-A113 WeakPolarHBondContact O-CB 3.32Å; I110-A113 PolarHBondContact O-N 3.44Å; I110-A113 VanDerWaalsContact O-N 3.15Å; I110-W114 HydrophobicContact CG2-CD2 3.94Å; I110-W114 VanDerWaalsContact CG2-CE2 3.46Å; I110-W114 HydrophobicContact CG2-CG 4.28Å; I110-W114 HydrophobicContact CG2-CH2 4.47Å; I110-W114 HydrophobicContact CG2-CZ2 3.77Å; I110-W114 PolarHBondContact O-N 3.03Å; I110-Y216 HydrophobicContact CG2-CE2 4.13Å; I110-A220 HydrophobicContact CD1-CB 3.75Å; I110-A220 HydrophobicContact CG2-CB 4.17Å; I110-L227 HydrophobicContact CB-CD2 4.26Å; I110-L227 HydrophobicContact CG2-CD2 3.94Å; I110-E232 HydrophobicContact CD1-CB 3.53Å
111	F	98.8	Very high	96.1	Very high	41 Å²	41	51.9 Å²	51.9	18%	0.18	30%	0.299	C	S	.	.	H	α-helix	trans	-55.5	-51	172.7	168.4	-106.6	0	0	0	112.4	S109 A113 W114 V115 Q148 E151 V152 L227	S109-F111 PolarHBondContact O-N 3.22Å; F111-A113 PolarHBondContact O-N 3.31Å; F111-W114 PolarHBondContact O-N 3.15Å; F111-V115 HydrophobicContact CD2-CG2 4Å; F111-V115 HydrophobicContact CE1-CG2 4.3Å; F111-V115 HydrophobicContact CE2-CG2 3.58Å; F111-V115 HydrophobicContact CZ-CG2 3.76Å; F111-V115 WeakPolarHBondContact O-CB 3.31Å; F111-V115 WeakPolarHBondContact O-CG2 3.41Å; F111-V115 PolarHBondContact O-N 3.12Å; F111-Q148 HydrophobicContact CB-CB 4.45Å; F111-Q148 HydrophobicContact CD1-CB 4.48Å; F111-Q148 HydrophobicContact CD1-CG 4.04Å; F111-Q148 HydrophobicContact CD2-CB 3.62Å; F111-Q148 HydrophobicContact CD2-CG 4.07Å; F111-Q148 WeakPolarHBondContact CD2-O 3.44Å; F111-Q148 HydrophobicContact CE1-CG 4.2Å; F111-Q148 HydrophobicContact CE2-CB 3.91Å; F111-Q148 HydrophobicContact CE2-CG 4.22Å; F111-Q148 VanDerWaalsContact CE2-O 3.28Å; F111-Q148 WeakPolarHBondContact CE2-O 3.45Å; F111-Q148 HydrophobicContact CG-CB 3.93Å; F111-Q148 HydrophobicContact CG-CG 3.97Å; F111-Q148 HydrophobicContact CZ-CB 4.45Å; F111-Q148 HydrophobicContact CZ-CG 4.28Å; F111-E151 HydrophobicContact CE2-CB 4.19Å; F111-E151 HydrophobicContact CE2-CG 4.17Å; F111-E151 HydrophobicContact CZ-CB 4.47Å; F111-E151 HydrophobicContact CZ-CG 4.17Å; F111-V152 HydrophobicContact CD2-CG2 3.72Å; F111-V152 HydrophobicContact CE2-CG2 3.97Å; F111-L227 HydrophobicContact CB-CD1 4.44Å; F111-L227 HydrophobicContact CB-CD2 4.32Å; F111-L227 HydrophobicContact CD2-CD1 4.32Å
112	Q	98.7	Very high	96.2	Very high	114 Å²	114	57.6 Å²	57.6	53%	0.533	32%	0.319	S	S	.	.	H	α-helix	trans	-59.5	-38.3	177.4	-75.5	171.5	-26	0	0	111.6	S109 I110 R116	S109-Q112 VanDerWaalsContact N-OE1 3.1Å; S109-Q112 WeakPolarHBondContact O-CB 3.49Å; S109-Q112 PolarHBondContact O-N 2.82Å; S109-Q112 VanDerWaalsContact O-N 3.12Å; S109-Q112 VanDerWaalsContact OG-CG 3.3Å; S109-Q112 WeakPolarHBondContact OG-CG 3.32Å; S109-Q112 PolarHBondContact OG-N 3.11Å; S109-Q112 VanDerWaalsContact OG-N 3.09Å; I110-Q112 PolarHBondContact O-N 3.41Å; Q112-R116 WeakPolarHBondContact O-CB 3.37Å; Q112-R116 PolarHBondContact O-N 3.07Å
113	A	98.7	Very high	96.6	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.033	29%	0.293	C	S	.	.	H	α-helix	trans	-67.7	-44.5	-179.8	0	0	0	0	0	112.3	V92 S109 I110 F111 R116 L117 V236	V92-A113 HydrophobicContact CB-CB 4.34Å; V92-A113 HydrophobicContact CG1-CB 3.71Å; S109-A113 PolarHBondContact O-N 3.04Å; I110-A113 WeakPolarHBondContact O-CB 3.32Å; I110-A113 PolarHBondContact O-N 3.44Å; I110-A113 VanDerWaalsContact O-N 3.15Å; F111-A113 PolarHBondContact O-N 3.31Å; A113-R116 PolarHBondContact O-N 2.7Å; A113-L117 WeakPolarHBondContact O-CG 3.39Å; A113-L117 PolarHBondContact O-N 2.75Å; A113-V236 HydrophobicContact CB-CG2 3.74Å
114	W	98.8	Very high	97	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.9	-44.5	175.7	-70.1	-0.3	0	0	0	112.1	I110 F111 R116 L117 M118 V152 W208 Y216 A220 N221 M222 L227	I110-W114 HydrophobicContact CG2-CD2 3.94Å; I110-W114 VanDerWaalsContact CG2-CE2 3.46Å; I110-W114 HydrophobicContact CG2-CG 4.28Å; I110-W114 HydrophobicContact CG2-CH2 4.47Å; I110-W114 HydrophobicContact CG2-CZ2 3.77Å; I110-W114 PolarHBondContact O-N 3.03Å; F111-W114 PolarHBondContact O-N 3.15Å; W114-R116 VanDerWaalsContact C-N 3.25Å; W114-R116 PolarHBondContact O-N 2.81Å; W114-L117 PolarHBondContact O-N 2.81Å; W114-M118 WeakPolarHBondContact O-CG 3.21Å; W114-M118 PolarHBondContact O-N 2.58Å; W114-V152 HydrophobicContact CE3-CG1 3.99Å; W114-V152 HydrophobicContact CE3-CG2 4.21Å; W114-V152 HydrophobicContact CZ3-CG1 4.46Å; W114-W208 HydrophobicContact CB-CH2 4.05Å; W114-W208 HydrophobicContact CB-CZ2 4.29Å; W114-W208 HydrophobicContact CD2-CH2 4.25Å; W114-W208 AromaticContact CD2-CZ2 3.62Å; W114-W208 HydrophobicContact CD2-CZ2 3.62Å; W114-W208 AromaticContact CE2-NE1 3.83Å; W114-W208 HydrophobicContact CE3-CH2 4.44Å; W114-W208 AromaticContact CE3-CZ2 3.83Å; W114-W208 HydrophobicContact CE3-CZ2 3.83Å; W114-W208 HydrophobicContact CG-CH2 4.11Å; W114-W208 AromaticContact CG-CZ2 3.85Å; W114-W208 HydrophobicContact CG-CZ2 3.85Å; W114-W208 HydrophobicContact CZ3-CZ2 4.37Å; W114-W208 AromaticContact NE1-NE1 3.89Å; W114-Y216 AromaticContact CE2-CE1 3.89Å; W114-Y216 HydrophobicContact CZ2-CD1 4.49Å; W114-Y216 AromaticContact CZ2-CE1 3.81Å; W114-Y216 HydrophobicContact CZ2-CE1 3.81Å; W114-Y216 AromaticContact NE1-CD1 3.36Å; W114-Y216 AromaticContact NE1-CD2 3.69Å; W114-Y216 AromaticContact NE1-CE1 3.35Å; W114-Y216 AromaticContact NE1-CE2 3.68Å; W114-Y216 AromaticContact NE1-CG 3.54Å; W114-Y216 AromaticContact NE1-CZ 3.52Å; W114-A220 HydrophobicContact CH2-CB 4.36Å; W114-A220 HydrophobicContact CZ2-CB 4.14Å; W114-N221 WeakPolarHBondContact CH2-O 3.35Å; W114-M222 HydrophobicContact CH2-CE 4.49Å; W114-M222 HydrophobicContact CH2-SD 3.53Å; W114-M222 VanDerWaalsContact CH2-SD 3.53Å; W114-M222 HydrophobicContact CZ2-SD 4.15Å; W114-M222 HydrophobicContact CZ3-SD 3.82Å; W114-L227 HydrophobicContact CE3-CD1 4.41Å; W114-L227 HydrophobicContact CE3-CD2 3.95Å; W114-L227 HydrophobicContact CH2-CD2 4.22Å; W114-L227 HydrophobicContact CZ3-CD1 4.28Å; W114-L227 HydrophobicContact CZ3-CD2 3.78Å; W114-L227 HydrophobicContact CZ3-CG 4.38Å
115	V	98.8	Very high	97.5	Very high	27 Å²	27	44.4 Å²	44.4	16%	0.164	24%	0.241	C	C	.	.	H	α-helix	trans	-57.8	-42.1	173.9	170.2	0	0	0	0	110.9	F111 M118 S119	F111-V115 HydrophobicContact CD2-CG2 4Å; F111-V115 HydrophobicContact CE1-CG2 4.3Å; F111-V115 HydrophobicContact CE2-CG2 3.58Å; F111-V115 HydrophobicContact CZ-CG2 3.76Å; F111-V115 WeakPolarHBondContact O-CB 3.31Å; F111-V115 WeakPolarHBondContact O-CG2 3.41Å; F111-V115 PolarHBondContact O-N 3.12Å; V115-M118 HydrophobicContact CG2-CE 4.28Å; V115-M118 PolarHBondContact O-N 3.13Å; V115-S119 PolarHBondContact O-N 2.96Å
116	R	98.6	Very high	97.9	Very high	107 Å²	107	42.7 Å²	42.7	40%	0.404	23%	0.23	S	C	.	.	H	α-helix	trans	-64.6	-48.1	176.1	-176.5	170.3	177.3	-172.7	2.1	112	Q112 A113 W114 M118 S119 E120 Y238	Q112-R116 WeakPolarHBondContact O-CB 3.37Å; Q112-R116 PolarHBondContact O-N 3.07Å; A113-R116 PolarHBondContact O-N 2.7Å; W114-R116 VanDerWaalsContact C-N 3.25Å; W114-R116 PolarHBondContact O-N 2.81Å; R116-M118 VanDerWaalsContact C-N 3.28Å; R116-M118 PolarHBondContact O-N 2.87Å; R116-S119 WeakPolarHBondContact CA-OG 3.5Å; R116-S119 PolarHBondContact O-N 2.89Å; R116-S119 PolarHBondContact O-OG 3.12Å; R116-E120 HydrophobicContact CG-CG 4.23Å; R116-E120 IonicContact NE-OE1 2.69Å; R116-E120 WeakPolarHBondContact O-CG 3.47Å; R116-E120 PolarHBondContact O-N 2.88Å; R116-Y238 WeakPolarHBondContact CD-OH 3.46Å; R116-Y238 HydrophobicContact CG-CE1 4.18Å
117	L	98.8	Very high	98.4	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-54.1	-45.4	176.5	-79	170.1	0	0	0	111.8	A113 W114 S119 E120 A121 V210 H214 V236 Y238	A113-L117 WeakPolarHBondContact O-CG 3.39Å; A113-L117 PolarHBondContact O-N 2.75Å; W114-L117 PolarHBondContact O-N 2.81Å; L117-S119 VanDerWaalsContact C-N 3.32Å; L117-S119 PolarHBondContact O-N 3.29Å; L117-E120 PolarHBondContact O-N 2.88Å; L117-A121 PolarHBondContact O-N 2.91Å; L117-A121 VanDerWaalsContact O-N 3.09Å; L117-V210 HydrophobicContact CB-CG2 4.25Å; L117-V210 HydrophobicContact CD2-CG2 4.2Å; L117-H214 HydrophobicContact CD2-CB 3.5Å; L117-V236 HydrophobicContact CD1-CG1 4.14Å; L117-V236 HydrophobicContact CD1-CG2 4.34Å; L117-V236 HydrophobicContact CD2-CG1 3.94Å; L117-V236 HydrophobicContact CG-CG1 4.13Å; L117-Y238 HydrophobicContact CD2-CD1 4.44Å; L117-Y238 HydrophobicContact CD2-CE1 3.97Å; L117-Y238 HydrophobicContact CG-CE1 4.42Å
118	M	98.8	Very high	98.6	Very high	8 Å²	8	36.2 Å²	36.2	4%	0.039	19%	0.185	C	C	.	.	H	α-helix	trans	-61.8	-37.8	174.9	-73.5	-172.2	-73.6	0	0	113	W114 V115 R116 E120 A121 V152 R155 L156 L159 W208	W114-M118 WeakPolarHBondContact O-CG 3.21Å; W114-M118 PolarHBondContact O-N 2.58Å; V115-M118 HydrophobicContact CG2-CE 4.28Å; V115-M118 PolarHBondContact O-N 3.13Å; R116-M118 VanDerWaalsContact C-N 3.28Å; R116-M118 PolarHBondContact O-N 2.87Å; M118-E120 VanDerWaalsContact C-N 3.33Å; M118-A121 PolarHBondContact O-N 3.08Å; M118-V152 HydrophobicContact CE-CB 4.49Å; M118-V152 HydrophobicContact CE-CG1 4.28Å; M118-V152 HydrophobicContact CE-CG2 4.35Å; M118-R155 HydrophobicContact CE-CB 3.79Å; M118-R155 HydrophobicContact CE-CG 4.48Å; M118-R155 HydrophobicContact SD-CB 3.55Å; M118-R155 VanDerWaalsContact SD-CB 3.55Å; M118-L156 HydrophobicContact CG-CD2 4.19Å; M118-L156 HydrophobicContact SD-CB 4.48Å; M118-L156 HydrophobicContact SD-CD2 3.68Å; M118-L156 HydrophobicContact SD-CG 3.6Å; M118-L156 VanDerWaalsContact SD-CG 3.6Å; M118-L159 HydrophobicContact CB-CD1 3.62Å; M118-L159 HydrophobicContact CG-CD1 3.71Å; M118-L159 HydrophobicContact SD-CD1 4.25Å; M118-W208 HydrophobicContact CG-CH2 4.41Å; M118-W208 HydrophobicContact CG-CZ3 3.84Å; M118-W208 HydrophobicContact SD-CH2 4.4Å; M118-W208 HydrophobicContact SD-CZ3 4.38Å
119	S	98.4	Very high	98.6	Very high	63 Å²	63	33.4 Å²	33.4	44%	0.441	17%	0.167	S	C	.	.	H	α-helix	trans	-72.1	-25.7	177.4	73.9	0	0	0	0	113.7	V115 R116 L117 R122	V115-S119 PolarHBondContact O-N 2.96Å; R116-S119 WeakPolarHBondContact CA-OG 3.5Å; R116-S119 PolarHBondContact O-N 2.89Å; R116-S119 PolarHBondContact O-OG 3.12Å; L117-S119 VanDerWaalsContact C-N 3.32Å; L117-S119 PolarHBondContact O-N 3.29Å; S119-R122 PolarHBondContact O-NH1 2.96Å
120	E	98.1	Very high	98.6	Very high	59 Å²	59	34 Å²	34	28%	0.276	17%	0.166	S	C	.	.	H	α-helix	trans	-83.9	-21.6	176.9	-62.4	-69.7	-175.9	0	0	112.1	R116 L117 M118 R122	R116-E120 HydrophobicContact CG-CG 4.23Å; R116-E120 IonicContact NE-OE1 2.69Å; R116-E120 WeakPolarHBondContact O-CG 3.47Å; R116-E120 PolarHBondContact O-N 2.88Å; L117-E120 PolarHBondContact O-N 2.88Å; M118-E120 VanDerWaalsContact C-N 3.33Å; E120-R122 WeakPolarHBondContact O-CG 3.39Å; E120-R122 VanDerWaalsContact O-CZ 3.28Å; E120-R122 PolarHBondContact O-NH1 2.94Å; E120-R122 IonicContact OE2-NH2 3.6Å
121	A	98.6	Very high	98.5	Very high	8 Å²	8	36.1 Å²	36.1	7%	0.066	17%	0.174	C	C	.	.			trans	-57.5	136.5	-179.5	0	0	0	0	0	112.7	L117 M118 V125 L163 V210 D211	L117-A121 PolarHBondContact O-N 2.91Å; L117-A121 VanDerWaalsContact O-N 3.09Å; M118-A121 PolarHBondContact O-N 3.08Å; A121-V125 HydrophobicContact CB-CG2 3.83Å; A121-L163 HydrophobicContact CB-CD1 3.69Å; A121-V210 HydrophobicContact CB-CG1 3.64Å; A121-D211 VanDerWaalsContact CA-OD2 3.31Å; A121-D211 WeakPolarHBondContact CA-OD2 3.3Å
122	R	98.4	Very high	98.4	Very high	161 Å²	161	34.3 Å²	34.3	61%	0.608	17%	0.166	S	C	*	.	S	Bend	trans	-127.9	-24.4	-179.7	-59.9	-62.2	175.5	-97.8	-7.5	113.5	S119 E120 L163 D211	S119-R122 PolarHBondContact O-NH1 2.96Å; E120-R122 WeakPolarHBondContact O-CG 3.39Å; E120-R122 VanDerWaalsContact O-CZ 3.28Å; E120-R122 PolarHBondContact O-NH1 2.94Å; E120-R122 IonicContact OE2-NH2 3.6Å; R122-L163 WeakPolarHBondContact O-CD2 3.41Å; R122-D211 PolarHBondContact N-OD1 3.02Å; R122-D211 PolarHBondContact N-OD2 3.28Å
123	S	98.6	Very high	98.3	Very high	59 Å²	59	29.3 Å²	29.3	41%	0.413	14%	0.143	S	C	.	.	S	Bend	trans	-138.2	-44	-172.4	69	0	0	0	0	113.6	H164 D211	S123-H164 PolarHBondContact O-N 3.28Å; S123-D211 WeakPolarHBondContact CA-OD1 3.37Å; S123-D211 WeakPolarHBondContact CB-OD1 3.4Å; S123-D211 PolarHBondContact N-OD1 3.35Å; S123-D211 PolarHBondContact OG-OD1 2.99Å
124	S	98.8	Very high	98.3	Very high	18 Å²	18	29.1 Å²	29.1	13%	0.126	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	148	-169.4	52.7	0	0	0	0	113.9	H164 V210 D211	S124-H164 CarbonylContact C-O 3.56Å; S124-H164 WeakPolarHBondContact CA-O 3.44Å; S124-V210 WeakPolarHBondContact O-CA 3.4Å; S124-D211 PolarHBondContact N-OD1 3.5Å; S124-D211 PolarHBondContact O-N 3.47Å
125	V	98.9	Very high	98.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	113.9	172.9	-179.2	0	0	0	0	108.4	A121 I127 H164 V165 R166 W208 V210	A121-V125 HydrophobicContact CB-CG2 3.83Å; V125-I127 HydrophobicContact CG1-CD1 4.04Å; V125-I127 HydrophobicContact CG1-CG1 3.93Å; V125-H164 PolarHBondContact N-O 3.44Å; V125-V165 HydrophobicContact CB-CG2 4.29Å; V125-V165 CarbonylContact O-C 3.55Å; V125-V165 VanDerWaalsContact O-CA 3.3Å; V125-V165 WeakPolarHBondContact O-CA 3.26Å; V125-R166 PolarHBondContact O-N 3.14Å; V125-W208 HydrophobicContact CG1-CE3 4.14Å; V125-W208 HydrophobicContact CG1-CZ3 4.48Å; V125-V210 HydrophobicContact CG1-CG2 4.3Å; V125-V210 HydrophobicContact CG2-CG1 4.32Å; V125-V210 HydrophobicContact CG2-CG2 4.36Å
126	D	98.9	Very high	98	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.016	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.6	177.1	-67.6	-27.6	0	0	0	110.1	R166 W208 V209 F251	D126-R166 CarbonylContact C-O 3.02Å; D126-R166 WeakPolarHBondContact CA-O 3.38Å; D126-R166 VanDerWaalsContact CG-NH2 3.28Å; D126-R166 WeakPolarHBondContact OD1-CB 3.26Å; D126-R166 IonicContact OD1-CZ 3.83Å; D126-R166 IonicContact OD1-NE 3.18Å; D126-R166 PolarHBondContact OD1-NE 2.54Å; D126-R166 IonicContact OD1-NH2 3.61Å; D126-R166 PolarHBondContact OD1-NH2 3.42Å; D126-R166 IonicContact OD2-CZ 2.89Å; D126-R166 IonicContact OD2-NE 3.44Å; D126-R166 IonicContact OD2-NH2 2.75Å; D126-R166 PolarHBondContact OD2-NH2 3.03Å; D126-W208 CarbonylContact O-C 3.54Å; D126-W208 VanDerWaalsContact O-CA 3.26Å; D126-W208 WeakPolarHBondContact O-CA 3.26Å; D126-V209 HydrophobicContact CB-CB 4.26Å; D126-V209 PolarHBondContact N-O 3.32Å; D126-V209 PolarHBondContact O-N 3.05Å; D126-F251 HydrophobicContact CB-CD1 3.85Å; D126-F251 HydrophobicContact CB-CD2 3.91Å; D126-F251 HydrophobicContact CB-CE1 3.74Å; D126-F251 HydrophobicContact CB-CE2 3.77Å; D126-F251 HydrophobicContact CB-CG 3.95Å; D126-F251 HydrophobicContact CB-CZ 3.69Å
127	I	98.9	Very high	97.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	119.7	-174.2	-59.8	178.4	0	0	0	110.6	V125 W132 L156 R166 I167 A168 W208 M222	V125-I127 HydrophobicContact CG1-CD1 4.04Å; V125-I127 HydrophobicContact CG1-CG1 3.93Å; I127-W132 HydrophobicContact CD1-CH2 4.05Å; I127-W132 HydrophobicContact CD1-CZ2 4.38Å; I127-W132 HydrophobicContact CG2-CZ2 3.93Å; I127-L156 HydrophobicContact CD1-CD1 4.17Å; I127-L156 HydrophobicContact CD1-CD2 3.98Å; I127-R166 PolarHBondContact N-O 3.42Å; I127-I167 HydrophobicContact CB-CG1 4.34Å; I127-I167 CarbonylContact O-C 3.54Å; I127-I167 WeakPolarHBondContact O-CA 3.21Å; I127-A168 PolarHBondContact O-N 3.43Å; I127-W208 HydrophobicContact CD1-CD2 4.11Å; I127-W208 HydrophobicContact CD1-CE3 4.23Å; I127-W208 HydrophobicContact CD1-CH2 4.23Å; I127-W208 HydrophobicContact CD1-CZ2 4.11Å; I127-W208 HydrophobicContact CD1-CZ3 4.28Å; I127-W208 HydrophobicContact CG1-CD2 4.05Å; I127-W208 HydrophobicContact CG1-CE3 4.4Å; I127-W208 HydrophobicContact CG1-CG 4.17Å; I127-M222 HydrophobicContact CG2-CE 3.16Å
128	A	98.7	Very high	97.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.8	167.8	0	0	0	0	0	109.6	A168 T205 K206 F207 F251 Y254	A128-A168 WeakPolarHBondContact CA-O 3.46Å; A128-T205 CarbonylContact C-O 3.54Å; A128-T205 HydrophobicContact CB-CG2 3.84Å; A128-K206 WeakPolarHBondContact O-CA 3.37Å; A128-F207 HydrophobicContact CB-CD1 4.29Å; A128-F207 HydrophobicContact CB-CD2 4.14Å; A128-F207 HydrophobicContact CB-CE1 4.03Å; A128-F207 HydrophobicContact CB-CE2 3.83Å; A128-F207 HydrophobicContact CB-CG 4.3Å; A128-F207 HydrophobicContact CB-CZ 3.76Å; A128-F207 PolarHBondContact N-O 2.77Å; A128-F207 PolarHBondContact O-N 2.98Å; A128-F251 HydrophobicContact CB-CD2 4.36Å; A128-Y254 HydrophobicContact CB-CD2 3.99Å; A128-Y254 HydrophobicContact CB-CE2 4.09Å
129	S	97.8	Very high	97.1	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	159.5	-169.5	59.5	0	0	0	0	114	W132 A168 V169 D170 T205	S129-W132 PolarHBondContact OG-NE1 3.02Å; S129-A168 PolarHBondContact N-O 2.71Å; S129-A168 PolarHBondContact OG-O 2.92Å; S129-V169 WeakPolarHBondContact O-CA 3.38Å; S129-V169 WeakPolarHBondContact OG-CG2 3.25Å; S129-D170 PolarHBondContact O-N 3.28Å; S129-T205 WeakPolarHBondContact CA-O 3.36Å
130	F	96.9	Very high	96.7	Very high	41 Å²	41	34.9 Å²	34.9	18%	0.18	19%	0.188	C	C	.	.	S	Bend	trans	-95.7	-43.2	178.4	179.6	-137.3	0	0	0	113.6	D170 K175 V202 L203 H204	F130-D170 HydrophobicContact CD2-CB 3.79Å; F130-D170 HydrophobicContact CE2-CB 4.31Å; F130-D170 WeakPolarHBondContact CE2-OD2 3.41Å; F130-D170 WeakPolarHBondContact O-CB 3.38Å; F130-K175 PolarHBondContact O-NZ 3.28Å; F130-K175 VanDerWaalsContact O-NZ 3.12Å; F130-V202 HydrophobicContact CD2-CB 4.21Å; F130-V202 HydrophobicContact CD2-CG2 4.37Å; F130-V202 HydrophobicContact CE2-CB 3.7Å; F130-V202 HydrophobicContact CE2-CG1 3.9Å; F130-V202 HydrophobicContact CE2-CG2 3.91Å; F130-V202 HydrophobicContact CZ-CG2 4.47Å; F130-L203 VanDerWaalsContact CA-O 3.28Å; F130-L203 WeakPolarHBondContact CA-O 3.38Å; F130-L203 VanDerWaalsContact CB-O 3.32Å; F130-L203 WeakPolarHBondContact CB-O 3.43Å; F130-L203 VanDerWaalsContact CD2-O 3.28Å; F130-L203 WeakPolarHBondContact CD2-O 3.48Å; F130-H204 AromaticContact CD1-CD2 3.75Å; F130-H204 AromaticContact CG-CD2 3.97Å
131	Y	96.9	Very high	96.3	Very high	45 Å²	45	34.5 Å²	34.5	18%	0.176	19%	0.19	C	C	.	.			trans	-161	169.6	175.5	67.6	-96	0	0	0	109.8	T133 N221 M222 D223	Y131-T133 HydrophobicContact CD2-CG2 4.14Å; Y131-T133 HydrophobicContact CE2-CG2 4.36Å; Y131-T133 WeakPolarHBondContact CE2-OG1 3.48Å; Y131-N221 HydrophobicContact CE1-CB 4Å; Y131-N221 HydrophobicContact CE2-CB 4.37Å; Y131-N221 PolarHBondContact OH-ND2 3.32Å; Y131-M222 WeakPolarHBondContact O-CB 3.23Å; Y131-D223 HydrophobicContact CE2-CB 3.81Å; Y131-D223 WeakPolarHBondContact CE2-OD2 3.44Å; Y131-D223 PolarHBondContact OH-OD2 3.39Å
132	W	97.8	Very high	95.9	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.008	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	121.8	-179.9	-69.8	69.9	0	0	0	111.7	I127 S129 L134 L156 I167 D179 L180 L183 M222	I127-W132 HydrophobicContact CD1-CH2 4.05Å; I127-W132 HydrophobicContact CD1-CZ2 4.38Å; I127-W132 HydrophobicContact CG2-CZ2 3.93Å; S129-W132 PolarHBondContact OG-NE1 3.02Å; W132-L134 HydrophobicContact CE3-CD1 3.61Å; W132-L134 HydrophobicContact CE3-CG 4.22Å; W132-L134 HydrophobicContact CZ3-CD1 3.54Å; W132-L156 HydrophobicContact CH2-CD1 3.66Å; W132-L156 HydrophobicContact CZ3-CD1 3.72Å; W132-I167 HydrophobicContact CH2-CD1 4.09Å; W132-I167 HydrophobicContact CZ2-CD1 3.83Å; W132-I167 HydrophobicContact CZ2-CG1 4.29Å; W132-I167 HydrophobicContact CZ2-CG2 3.89Å; W132-D179 HydrophobicContact CB-CB 3.92Å; W132-L180 HydrophobicContact CB-CD2 4.41Å; W132-L180 HydrophobicContact CB-CG 4.1Å; W132-L180 VanDerWaalsContact CD1-CD2 3.45Å; W132-L180 HydrophobicContact CD2-CD2 3.98Å; W132-L180 HydrophobicContact CG-CD2 3.71Å; W132-L180 HydrophobicContact CG-CG 3.92Å; W132-L183 HydrophobicContact CD2-CD1 4.36Å; W132-L183 HydrophobicContact CE3-CD1 3.76Å; W132-L183 HydrophobicContact CH2-CD1 3.82Å; W132-L183 HydrophobicContact CZ2-CD1 4.39Å; W132-L183 HydrophobicContact CZ3-CD1 3.47Å; W132-L183 VanDerWaalsContact CZ3-CD1 3.47Å; W132-M222 CarbonylContact C-O 3.12Å; W132-M222 VanDerWaalsContact CA-O 3.29Å; W132-M222 WeakPolarHBondContact CA-O 3.36Å; W132-M222 HydrophobicContact CB-CB 4.46Å; W132-M222 HydrophobicContact CD2-CB 3.5Å; W132-M222 HydrophobicContact CD2-CG 3.82Å; W132-M222 HydrophobicContact CE3-CB 3.68Å; W132-M222 HydrophobicContact CE3-CG 4.13Å; W132-M222 HydrophobicContact CG-CB 3.87Å; W132-M222 HydrophobicContact CG-CG 4.42Å; W132-M222 HydrophobicContact CH2-CB 4.39Å; W132-M222 HydrophobicContact CH2-CG 3.96Å; W132-M222 HydrophobicContact CH2-SD 4.18Å; W132-M222 HydrophobicContact CZ2-CB 4.27Å; W132-M222 HydrophobicContact CZ2-CE 4.4Å; W132-M222 HydrophobicContact CZ2-CG 3.65Å; W132-M222 HydrophobicContact CZ2-SD 4.32Å; W132-M222 HydrophobicContact CZ3-CB 4.12Å; W132-M222 HydrophobicContact CZ3-CG 4.18Å
133	T	97	Very high	95.8	Very high	9 Å²	9	37.6 Å²	37.6	6%	0.055	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	63.3	172.3	59.6	0	0	0	0	109.1	Y131 T135 D138 P176 D179 M222 D223 W224 R225	Y131-T133 HydrophobicContact CD2-CG2 4.14Å; Y131-T133 HydrophobicContact CE2-CG2 4.36Å; Y131-T133 WeakPolarHBondContact CE2-OG1 3.48Å; T133-T135 VanDerWaalsContact C-N 3.26Å; T133-D138 HydrophobicContact CG2-CB 3.67Å; T133-P176 HydrophobicContact CG2-CB 4.38Å; T133-P176 HydrophobicContact CG2-CG 4.1Å; T133-D179 VanDerWaalsContact CA-OD2 3.31Å; T133-D179 WeakPolarHBondContact CA-OD2 3.12Å; T133-D179 PolarHBondContact N-OD2 3.23Å; T133-M222 PolarHBondContact N-O 2.93Å; T133-D223 WeakPolarHBondContact O-CA 3.32Å; T133-D223 VanDerWaalsContact OG1-CG 3.23Å; T133-D223 PolarHBondContact OG1-OD2 3.49Å; T133-W224 PolarHBondContact O-N 3.1Å; T133-R225 PolarHBondContact OG1-NH2 2.77Å
134	L	98.1	Very high	95.6	Very high	0 Å²	0	40 Å²	40	0%	0	22%	0.224	C	C	.	.			trans	-79.7	-5.3	179.5	-71.5	177.7	0	0	0	113.3	W132 G149 E150 V152 L153 D179 M222	W132-L134 HydrophobicContact CE3-CD1 3.61Å; W132-L134 HydrophobicContact CE3-CG 4.22Å; W132-L134 HydrophobicContact CZ3-CD1 3.54Å; L134-G149 CarbonylContact O-C 2.9Å; L134-G149 VanDerWaalsContact O-CA 3.28Å; L134-G149 WeakPolarHBondContact O-CA 3.4Å; L134-E150 PolarHBondContact O-N 3Å; L134-V152 HydrophobicContact CD1-CB 4.49Å; L134-V152 HydrophobicContact CD1-CG1 3.98Å; L134-L153 HydrophobicContact CB-CB 4.03Å; L134-L153 HydrophobicContact CB-CD2 4.49Å; L134-L153 HydrophobicContact CD1-CB 3.86Å; L134-L153 HydrophobicContact CD1-CD1 4.28Å; L134-D179 PolarHBondContact N-OD2 3.05Å; L134-M222 HydrophobicContact CG-CB 4.47Å
135	T	96.9	Very high	95.4	Very high	25 Å²	25	39.5 Å²	39.5	15%	0.153	22%	0.22	C	C	.	.	S	Bend	trans	-121.6	172.6	176.9	72.1	0	0	0	0	111	T133 E137 E150 L153 W224	T133-T135 VanDerWaalsContact C-N 3.26Å; T135-E137 PolarHBondContact O-N 3.41Å; T135-E137 WeakPolarHBondContact OG1-CB 3.39Å; T135-E137 PolarHBondContact OG1-N 3.04Å; T135-E150 HydrophobicContact CG2-CG 4.14Å; T135-L153 HydrophobicContact CG2-CD2 3.47Å; T135-L153 VanDerWaalsContact CG2-CD2 3.47Å; T135-W224 PolarHBondContact O-NE1 2.83Å
136	N	94.8	Very high	95.4	Very high	16 Å²	16	39.5 Å²	39.5	9%	0.086	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-71.6	0.5	173.3	-80.5	-80	0	0	0	114.8	D138 T139 G140 T141 E143 A146 E150	N136-D138 VanDerWaalsContact C-N 3.27Å; N136-D138 PolarHBondContact O-N 3.26Å; N136-T139 PolarHBondContact O-N 2.76Å; N136-T139 PolarHBondContact O-OG1 3.01Å; N136-T139 VanDerWaalsContact O-OG1 3.07Å; N136-G140 PolarHBondContact O-N 3.28Å; N136-T141 WeakPolarHBondContact CB-O 3.21Å; N136-T141 PolarHBondContact OD1-OG1 2.89Å; N136-E143 PolarHBondContact ND2-N 2.83Å; N136-E143 PolarHBondContact ND2-O 2.68Å; N136-E143 VanDerWaalsContact ND2-O 3.07Å; N136-E143 VanDerWaalsContact OD1-CB 3.31Å; N136-E143 WeakPolarHBondContact OD1-CB 3.21Å; N136-E143 PolarHBondContact OD1-N 2.76Å; N136-A146 WeakPolarHBondContact ND2-CB 3.38Å; N136-E150 PolarHBondContact ND2-OE1 3.35Å
137	E	93.4	Very high	95.3	Very high	132 Å²	132	42.5 Å²	42.5	62%	0.617	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-63.8	-33.1	-171	-170.6	171.3	164	0	0	112.8	T135 T139 G140 A178	T135-E137 PolarHBondContact O-N 3.41Å; T135-E137 WeakPolarHBondContact OG1-CB 3.39Å; T135-E137 PolarHBondContact OG1-N 3.04Å; E137-T139 VanDerWaalsContact C-N 3.31Å; E137-T139 PolarHBondContact O-N 3.05Å; E137-G140 PolarHBondContact O-N 2.73Å; E137-A178 VanDerWaalsContact OE1-CB 3.29Å; E137-A178 WeakPolarHBondContact OE1-CB 3.23Å; E137-A178 WeakPolarHBondContact OE2-CB 3.27Å
138	D	91.9	Very high	95.3	Very high	52 Å²	52	45.1 Å²	45.1	28%	0.278	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-67.9	-30.1	-179.4	73.9	-52	0	0	0	113.5	T133 N136 P176 R225	T133-D138 HydrophobicContact CG2-CB 3.67Å; N136-D138 VanDerWaalsContact C-N 3.27Å; N136-D138 PolarHBondContact O-N 3.26Å; D138-P176 HydrophobicContact CB-CB 4.34Å; D138-P176 HydrophobicContact CB-CG 3.69Å; D138-R225 IonicContact OD1-NH1 3.33Å; D138-R225 IonicContact OD2-CZ 3.77Å; D138-R225 IonicContact OD2-NH1 2.84Å; D138-R225 PolarHBondContact OD2-NH1 2.99Å; D138-R225 IonicContact OD2-NH2 2.73Å; D138-R225 PolarHBondContact OD2-NH2 3.09Å
139	T	90.6	Very high	95.3	Very high	36 Å²	36	45.1 Å²	45.1	22%	0.221	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-16.6	179.4	53.5	0	0	0	0	112.9	N136 E137 T141 P412	N136-T139 PolarHBondContact O-N 2.76Å; N136-T139 PolarHBondContact O-OG1 3.01Å; N136-T139 VanDerWaalsContact O-OG1 3.07Å; E137-T139 VanDerWaalsContact C-N 3.31Å; E137-T139 PolarHBondContact O-N 3.05Å; T139-T141 WeakPolarHBondContact CB-OG1 3.38Å; T139-T141 PolarHBondContact O-N 2.83Å; T139-T141 PolarHBondContact OG1-N 2.93Å; T139-T141 PolarHBondContact OG1-OG1 2.86Å; T139-P412 HydrophobicContact CG2-CG 3.5Å
140	G	90.9	Very high	95.4	Very high	65 Å²	65	49.1 Å²	49.1	67%	0.67	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.8	24.3	-171.4	0	0	0	0	0	113	N136 E137	N136-G140 PolarHBondContact O-N 3.28Å; E137-G140 PolarHBondContact O-N 2.73Å
141	T	89.1	Confident	95.4	Very high	51 Å²	51	49.8 Å²	49.8	31%	0.313	28%	0.276	S	S	.	.			trans	-102.2	-175.6	-177.9	57.7	0	0	0	0	111.9	N136 T139	N136-T141 WeakPolarHBondContact CB-O 3.21Å; N136-T141 PolarHBondContact OD1-OG1 2.89Å; T139-T141 WeakPolarHBondContact CB-OG1 3.38Å; T139-T141 PolarHBondContact O-N 2.83Å; T139-T141 PolarHBondContact OG1-N 2.93Å; T139-T141 PolarHBondContact OG1-OG1 2.86Å
142	H	91.7	Very high	95.5	Very high	177 Å²	177	47.7 Å²	47.7	82%	0.819	27%	0.268	S	S	*	.			trans	-134.8	57.8	173.1	-65.9	76.6	0	0	0	108.9	P144	H142-P144 VanDerWaalsContact O-CD 3.28Å; H142-P144 WeakPolarHBondContact O-CD 3.39Å
143	E	95.1	Very high	95.6	Very high	58 Å²	58	47.9 Å²	47.9	27%	0.271	27%	0.269	S	S	.	.			trans	-74	117	178.4	-65.7	-60	143.9	0	0	109.5	N136 S145 A146 W224 I411	N136-E143 PolarHBondContact ND2-N 2.83Å; N136-E143 PolarHBondContact ND2-O 2.68Å; N136-E143 VanDerWaalsContact ND2-O 3.07Å; N136-E143 VanDerWaalsContact OD1-CB 3.31Å; N136-E143 WeakPolarHBondContact OD1-CB 3.21Å; N136-E143 PolarHBondContact OD1-N 2.76Å; E143-S145 PolarHBondContact O-N 2.84Å; E143-S145 VanDerWaalsContact O-N 3.15Å; E143-A146 WeakPolarHBondContact O-CB 3.46Å; E143-A146 PolarHBondContact O-N 2.84Å; E143-W224 HydrophobicContact CB-CH2 3.77Å; E143-W224 HydrophobicContact CB-CZ2 4.22Å; E143-W224 HydrophobicContact CB-CZ3 4.34Å; E143-W224 HydrophobicContact CG-CH2 3.93Å; E143-W224 HydrophobicContact CG-CZ2 4.27Å; E143-I411 HydrophobicContact CG-CD1 4.43Å; E143-I411 HydrophobicContact CG-CG1 4.32Å
144	P	95.1	Very high	95.7	Very high	108 Å²	108	52.8 Å²	52.8	70%	0.701	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-61.6	-24.4	179.8	-23.8	35.3	0	0	0	113.2	H142 A146 S147	H142-P144 VanDerWaalsContact O-CD 3.28Å; H142-P144 WeakPolarHBondContact O-CD 3.39Å; P144-A146 PolarHBondContact O-N 2.82Å; P144-S147 WeakPolarHBondContact O-CB 3.5Å; P144-S147 PolarHBondContact O-N 3Å; P144-S147 PolarHBondContact O-OG 3.13Å
145	S	95	Very high	95.7	Very high	8 Å²	8	56.9 Å²	56.9	6%	0.056	31%	0.305	C	S	.	.	G	3₁₀ helix	trans	-71.8	-4.9	177.6	58.4	0	0	0	0	113.6	E97 E143 S147 W224 T228 Q229	E97-S145 VanDerWaalsContact CD-CB 3.49Å; E97-S145 WeakPolarHBondContact OE1-CB 3.43Å; E97-S145 WeakPolarHBondContact OE2-CB 2.9Å; E143-S145 PolarHBondContact O-N 2.84Å; E143-S145 VanDerWaalsContact O-N 3.15Å; S145-S147 VanDerWaalsContact C-N 3.29Å; S145-W224 WeakPolarHBondContact OG-CZ3 3.34Å; S145-T228 WeakPolarHBondContact O-CB 3.28Å; S145-T228 WeakPolarHBondContact O-CG2 3.49Å; S145-T228 PolarHBondContact O-OG1 2.87Å; S145-Q229 VanDerWaalsContact CB-NE2 3.27Å; S145-Q229 PolarHBondContact OG-NE2 3.27Å; S145-Q229 VanDerWaalsContact OG-NE2 3.08Å
146	A	97.6	Very high	95.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-76.8	-14.2	169.2	0	0	0	0	0	113.7	N136 E143 P144 Q148 G149 E150 W224	N136-A146 WeakPolarHBondContact ND2-CB 3.38Å; E143-A146 WeakPolarHBondContact O-CB 3.46Å; E143-A146 PolarHBondContact O-N 2.84Å; P144-A146 PolarHBondContact O-N 2.82Å; A146-Q148 PolarHBondContact O-N 3.23Å; A146-G149 WeakPolarHBondContact O-CA 3.32Å; A146-G149 PolarHBondContact O-N 2.69Å; A146-E150 PolarHBondContact O-N 2.89Å; A146-W224 HydrophobicContact CB-CB 4.1Å; A146-W224 HydrophobicContact CB-CD2 3.63Å; A146-W224 HydrophobicContact CB-CE3 3.89Å; A146-W224 HydrophobicContact CB-CG 3.73Å
147	S	98.2	Very high	96	Very high	66 Å²	66	55.6 Å²	55.6	46%	0.462	30%	0.299	S	S	.	.	H	α-helix	trans	-52.9	-33	-175.6	52.1	0	0	0	0	114.6	P144 S145 E151	P144-S147 WeakPolarHBondContact O-CB 3.5Å; P144-S147 PolarHBondContact O-N 3Å; P144-S147 PolarHBondContact O-OG 3.13Å; S145-S147 VanDerWaalsContact C-N 3.29Å; S147-E151 WeakPolarHBondContact O-CB 3.23Å; S147-E151 PolarHBondContact O-N 3.34Å
148	Q	98.6	Very high	96.3	Very high	55 Å²	55	54 Å²	54	26%	0.257	29%	0.292	S	S	.	.	H	α-helix	trans	-67.1	-39.3	174.4	-69.3	-172.7	21.4	0	0	112.4	F111 A146 V152 L227 T228	F111-Q148 HydrophobicContact CB-CB 4.45Å; F111-Q148 HydrophobicContact CD1-CB 4.48Å; F111-Q148 HydrophobicContact CD1-CG 4.04Å; F111-Q148 HydrophobicContact CD2-CB 3.62Å; F111-Q148 HydrophobicContact CD2-CG 4.07Å; F111-Q148 WeakPolarHBondContact CD2-O 3.44Å; F111-Q148 HydrophobicContact CE1-CG 4.2Å; F111-Q148 HydrophobicContact CE2-CB 3.91Å; F111-Q148 HydrophobicContact CE2-CG 4.22Å; F111-Q148 VanDerWaalsContact CE2-O 3.28Å; F111-Q148 WeakPolarHBondContact CE2-O 3.45Å; F111-Q148 HydrophobicContact CG-CB 3.93Å; F111-Q148 HydrophobicContact CG-CG 3.97Å; F111-Q148 HydrophobicContact CZ-CB 4.45Å; F111-Q148 HydrophobicContact CZ-CG 4.28Å; A146-Q148 PolarHBondContact O-N 3.23Å; Q148-V152 VanDerWaalsContact O-CG2 3.29Å; Q148-V152 WeakPolarHBondContact O-CG2 3.2Å; Q148-V152 PolarHBondContact O-N 2.91Å; Q148-V152 VanDerWaalsContact O-N 3.14Å; Q148-L227 HydrophobicContact CB-CB 4.24Å; Q148-L227 HydrophobicContact CB-CD1 4.21Å; Q148-T228 HydrophobicContact CB-CG2 4.04Å; Q148-T228 VanDerWaalsContact CD-CG2 3.47Å; Q148-T228 HydrophobicContact CG-CG2 3.93Å
149	G	98.6	Very high	96.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-67.5	-44.9	174.4	0	0	0	0	0	111.5	L134 A146 E151 V152 L153	L134-G149 CarbonylContact O-C 2.9Å; L134-G149 VanDerWaalsContact O-CA 3.28Å; L134-G149 WeakPolarHBondContact O-CA 3.4Å; A146-G149 WeakPolarHBondContact O-CA 3.32Å; A146-G149 PolarHBondContact O-N 2.69Å; G149-E151 VanDerWaalsContact C-N 3.3Å; G149-E151 PolarHBondContact O-N 2.96Å; G149-V152 WeakPolarHBondContact O-CB 3.31Å; G149-V152 PolarHBondContact O-N 3.42Å; G149-V152 VanDerWaalsContact O-N 3.1Å; G149-L153 PolarHBondContact O-N 2.9Å
150	E	98.6	Very high	97	Very high	86 Å²	86	51.4 Å²	51.4	40%	0.402	28%	0.277	S	S	.	.	H	α-helix	trans	-59.5	-41.4	178.5	-67.6	169.4	178	0	0	111.5	L134 T135 N136 A146 L153 K154	L134-E150 PolarHBondContact O-N 3Å; T135-E150 HydrophobicContact CG2-CG 4.14Å; N136-E150 PolarHBondContact ND2-OE1 3.35Å; A146-E150 PolarHBondContact O-N 2.89Å; E150-L153 PolarHBondContact O-N 3.38Å; E150-K154 WeakPolarHBondContact O-CB 3.34Å; E150-K154 PolarHBondContact O-N 3.33Å
151	E	98.8	Very high	97.3	Very high	55 Å²	55	51.2 Å²	51.2	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-66.5	-39.1	175.2	178.2	65.3	-177.3	0	0	112.4	F111 S147 G149 K154 R155	F111-E151 HydrophobicContact CE2-CB 4.19Å; F111-E151 HydrophobicContact CE2-CG 4.17Å; F111-E151 HydrophobicContact CZ-CB 4.47Å; F111-E151 HydrophobicContact CZ-CG 4.17Å; S147-E151 WeakPolarHBondContact O-CB 3.23Å; S147-E151 PolarHBondContact O-N 3.34Å; G149-E151 VanDerWaalsContact C-N 3.3Å; G149-E151 PolarHBondContact O-N 2.96Å; E151-K154 PolarHBondContact O-N 3.01Å; E151-R155 WeakPolarHBondContact O-CG 3.48Å; E151-R155 PolarHBondContact O-N 3.46Å; E151-R155 IonicContact OE1-CZ 2.68Å; E151-R155 IonicContact OE1-NE 2.76Å; E151-R155 PolarHBondContact OE1-NE 3.49Å; E151-R155 IonicContact OE1-NH2 3.65Å; E151-R155 PolarHBondContact OE1-NH2 3.34Å
152	V	98.9	Very high	97.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-62.2	-48	174.7	167.7	0	0	0	0	110.5	F111 W114 M118 L134 Q148 G149 K154 R155 L156 W208 L227	F111-V152 HydrophobicContact CD2-CG2 3.72Å; F111-V152 HydrophobicContact CE2-CG2 3.97Å; W114-V152 HydrophobicContact CE3-CG1 3.99Å; W114-V152 HydrophobicContact CE3-CG2 4.21Å; W114-V152 HydrophobicContact CZ3-CG1 4.46Å; M118-V152 HydrophobicContact CE-CB 4.49Å; M118-V152 HydrophobicContact CE-CG1 4.28Å; M118-V152 HydrophobicContact CE-CG2 4.35Å; L134-V152 HydrophobicContact CD1-CB 4.49Å; L134-V152 HydrophobicContact CD1-CG1 3.98Å; Q148-V152 VanDerWaalsContact O-CG2 3.29Å; Q148-V152 WeakPolarHBondContact O-CG2 3.2Å; Q148-V152 PolarHBondContact O-N 2.91Å; Q148-V152 VanDerWaalsContact O-N 3.14Å; G149-V152 WeakPolarHBondContact O-CB 3.31Å; G149-V152 PolarHBondContact O-N 3.42Å; G149-V152 VanDerWaalsContact O-N 3.1Å; V152-K154 VanDerWaalsContact C-N 3.34Å; V152-K154 PolarHBondContact O-N 2.97Å; V152-R155 PolarHBondContact O-N 2.78Å; V152-L156 HydrophobicContact CG1-CD1 4.06Å; V152-L156 WeakPolarHBondContact O-CG 3.18Å; V152-L156 PolarHBondContact O-N 3.45Å; V152-W208 HydrophobicContact CG1-CH2 4.46Å; V152-L227 HydrophobicContact CG2-CD1 4.03Å
153	L	98.9	Very high	98.1	Very high	6 Å²	6	49.4 Å²	49.4	3%	0.031	26%	0.262	C	S	.	.	H	α-helix	trans	-59.8	-46.2	179.1	-179.7	61.7	0	0	0	111.2	L134 T135 G149 E150 R155 L156 A157 D179 L182 L183	L134-L153 HydrophobicContact CB-CB 4.03Å; L134-L153 HydrophobicContact CB-CD2 4.49Å; L134-L153 HydrophobicContact CD1-CB 3.86Å; L134-L153 HydrophobicContact CD1-CD1 4.28Å; T135-L153 HydrophobicContact CG2-CD2 3.47Å; T135-L153 VanDerWaalsContact CG2-CD2 3.47Å; G149-L153 PolarHBondContact O-N 2.9Å; E150-L153 PolarHBondContact O-N 3.38Å; L153-R155 PolarHBondContact O-N 3.25Å; L153-L156 PolarHBondContact O-N 2.94Å; L153-A157 WeakPolarHBondContact O-CB 3.32Å; L153-A157 PolarHBondContact O-N 3.48Å; L153-D179 HydrophobicContact CD1-CB 3.97Å; L153-D179 HydrophobicContact CD2-CB 4.23Å; L153-D179 WeakPolarHBondContact CD2-OD1 3.47Å; L153-L182 HydrophobicContact CD1-CD2 4.26Å; L153-L182 HydrophobicContact CD2-CD2 3.84Å; L153-L182 HydrophobicContact CG-CD2 3.85Å; L153-L183 HydrophobicContact CD1-CD1 3.94Å; L153-L183 HydrophobicContact CD1-CD2 4.01Å; L153-L183 HydrophobicContact CD1-CG 3.81Å
154	K	98.8	Very high	98.2	Very high	113 Å²	113	53.1 Å²	53.1	49%	0.491	28%	0.279	S	S	.	.	H	α-helix	trans	-58.4	-48.3	177.4	-178.5	-174.2	172.3	-168.3	0	112	E150 E151 V152 L156 A157 E158	E150-K154 WeakPolarHBondContact O-CB 3.34Å; E150-K154 PolarHBondContact O-N 3.33Å; E151-K154 PolarHBondContact O-N 3.01Å; V152-K154 VanDerWaalsContact C-N 3.34Å; V152-K154 PolarHBondContact O-N 2.97Å; K154-L156 PolarHBondContact O-N 3.4Å; K154-A157 WeakPolarHBondContact O-CB 3.45Å; K154-A157 PolarHBondContact O-N 3.23Å; K154-E158 WeakPolarHBondContact CE-OE1 3.39Å; K154-E158 WeakPolarHBondContact O-CG 3.5Å; K154-E158 PolarHBondContact O-N 3.1Å
155	R	98.8	Very high	98.4	Very high	86 Å²	86	48 Å²	48	33%	0.325	25%	0.246	S	C	.	.	H	α-helix	trans	-63.9	-40.9	179.4	-74.1	177.5	-178.4	-98	-10.3	112.4	M118 E151 V152 L153 A157 E158 L159	M118-R155 HydrophobicContact CE-CB 3.79Å; M118-R155 HydrophobicContact CE-CG 4.48Å; M118-R155 HydrophobicContact SD-CB 3.55Å; M118-R155 VanDerWaalsContact SD-CB 3.55Å; E151-R155 WeakPolarHBondContact O-CG 3.48Å; E151-R155 PolarHBondContact O-N 3.46Å; E151-R155 IonicContact OE1-CZ 2.68Å; E151-R155 IonicContact OE1-NE 2.76Å; E151-R155 PolarHBondContact OE1-NE 3.49Å; E151-R155 IonicContact OE1-NH2 3.65Å; E151-R155 PolarHBondContact OE1-NH2 3.34Å; V152-R155 PolarHBondContact O-N 2.78Å; L153-R155 PolarHBondContact O-N 3.25Å; R155-A157 VanDerWaalsContact C-N 3.35Å; R155-E158 PolarHBondContact O-N 2.95Å; R155-L159 WeakPolarHBondContact O-CG 3.37Å; R155-L159 PolarHBondContact O-N 2.86Å
156	L	98.8	Very high	98.6	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-42.2	175.3	-76.4	173.1	0	0	0	111.4	M118 I127 W132 V152 L153 K154 E158 L159 S160 L183 W208	M118-L156 HydrophobicContact CG-CD2 4.19Å; M118-L156 HydrophobicContact SD-CB 4.48Å; M118-L156 HydrophobicContact SD-CD2 3.68Å; M118-L156 HydrophobicContact SD-CG 3.6Å; M118-L156 VanDerWaalsContact SD-CG 3.6Å; I127-L156 HydrophobicContact CD1-CD1 4.17Å; I127-L156 HydrophobicContact CD1-CD2 3.98Å; W132-L156 HydrophobicContact CH2-CD1 3.66Å; W132-L156 HydrophobicContact CZ3-CD1 3.72Å; V152-L156 HydrophobicContact CG1-CD1 4.06Å; V152-L156 WeakPolarHBondContact O-CG 3.18Å; V152-L156 PolarHBondContact O-N 3.45Å; L153-L156 PolarHBondContact O-N 2.94Å; K154-L156 PolarHBondContact O-N 3.4Å; L156-E158 PolarHBondContact O-N 2.91Å; L156-L159 PolarHBondContact O-N 3.46Å; L156-S160 WeakPolarHBondContact O-CB 3.44Å; L156-S160 PolarHBondContact O-N 2.94Å; L156-S160 PolarHBondContact O-OG 3.01Å; L156-L183 HydrophobicContact CB-CD2 3.55Å; L156-W208 HydrophobicContact CD1-CH2 4.07Å; L156-W208 HydrophobicContact CD2-CH2 4.06Å; L156-W208 HydrophobicContact CD2-CZ3 4.08Å; L156-W208 HydrophobicContact CG-CH2 4.36Å
157	A	98.8	Very high	98.7	Very high	14 Å²	14	49.6 Å²	49.6	12%	0.116	25%	0.251	C	S	.	.	H	α-helix	trans	-60.2	-45	174.3	0	0	0	0	0	111.7	L153 K154 R155 L159 S160 G161 L182 L183 S186	L153-A157 WeakPolarHBondContact O-CB 3.32Å; L153-A157 PolarHBondContact O-N 3.48Å; K154-A157 WeakPolarHBondContact O-CB 3.45Å; K154-A157 PolarHBondContact O-N 3.23Å; R155-A157 VanDerWaalsContact C-N 3.35Å; A157-L159 VanDerWaalsContact C-N 3.34Å; A157-L159 PolarHBondContact O-N 3.01Å; A157-S160 WeakPolarHBondContact O-CB 3.36Å; A157-S160 PolarHBondContact O-N 2.99Å; A157-G161 PolarHBondContact O-N 3.49Å; A157-L182 HydrophobicContact CB-CG 4.49Å; A157-L183 HydrophobicContact CB-CD2 4.37Å; A157-S186 WeakPolarHBondContact O-CB 3.39Å
158	E	98.7	Very high	98.7	Very high	98 Å²	98	46.5 Å²	46.5	46%	0.458	23%	0.229	S	C	.	.	H	α-helix	trans	-62.8	-37.3	176	-71.4	175.1	-172.5	0	0	113.4	K154 R155 L156	K154-E158 WeakPolarHBondContact CE-OE1 3.39Å; K154-E158 WeakPolarHBondContact O-CG 3.5Å; K154-E158 PolarHBondContact O-N 3.1Å; R155-E158 PolarHBondContact O-N 2.95Å; L156-E158 PolarHBondContact O-N 2.91Å
159	L	98.6	Very high	98.6	Very high	27 Å²	27	43.9 Å²	43.9	14%	0.141	22%	0.216	C	C	.	.	H	α-helix	trans	-71.4	-35.9	175.6	-74.8	178.4	0	0	0	112.1	M118 R155 L156 A157 G161 K162 L163 V165	M118-L159 HydrophobicContact CB-CD1 3.62Å; M118-L159 HydrophobicContact CG-CD1 3.71Å; M118-L159 HydrophobicContact SD-CD1 4.25Å; R155-L159 WeakPolarHBondContact O-CG 3.37Å; R155-L159 PolarHBondContact O-N 2.86Å; L156-L159 PolarHBondContact O-N 3.46Å; A157-L159 VanDerWaalsContact C-N 3.34Å; A157-L159 PolarHBondContact O-N 3.01Å; L159-G161 PolarHBondContact O-N 3.29Å; L159-K162 CarbonylContact O-C 3.48Å; L159-K162 WeakPolarHBondContact O-CA 3.42Å; L159-K162 PolarHBondContact O-N 3.41Å; L159-L163 HydrophobicContact CD2-CD1 3.89Å; L159-L163 HydrophobicContact CD2-CG 4.37Å; L159-L163 PolarHBondContact O-N 3.03Å; L159-V165 HydrophobicContact CB-CG2 4.33Å
160	S	98.7	Very high	98.5	Very high	7 Å²	7	44.2 Å²	44.2	5%	0.049	22%	0.218	C	C	.	.	H	α-helix	trans	-61.3	-29.5	-179.7	-59.9	0	0	0	0	112.5	L156 A157 K162 S186	L156-S160 WeakPolarHBondContact O-CB 3.44Å; L156-S160 PolarHBondContact O-N 2.94Å; L156-S160 PolarHBondContact O-OG 3.01Å; A157-S160 WeakPolarHBondContact O-CB 3.36Å; A157-S160 PolarHBondContact O-N 2.99Å; S160-K162 PolarHBondContact O-N 3.33Å; S160-S186 CarbonylContact C-O 3.53Å; S160-S186 WeakPolarHBondContact CB-O 3.41Å
161	G	98	Very high	98.2	Very high	61 Å²	61	41.3 Å²	41.3	63%	0.629	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-2.4	173.9	0	0	0	0	0	114.6	A157 L159 S186	A157-G161 PolarHBondContact O-N 3.49Å; L159-G161 PolarHBondContact O-N 3.29Å; G161-S186 VanDerWaalsContact CA-O 3.32Å; G161-S186 WeakPolarHBondContact CA-O 3.31Å; G161-S186 PolarHBondContact N-O 2.87Å
162	K	98.3	Very high	97.5	Very high	157 Å²	157	39.6 Å²	39.6	68%	0.683	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-129.8	-34.2	-171.2	-63.5	174.3	-172.7	165.7	0	113.9	L159 S160	L159-K162 CarbonylContact O-C 3.48Å; L159-K162 WeakPolarHBondContact O-CA 3.42Å; L159-K162 PolarHBondContact O-N 3.41Å; S160-K162 PolarHBondContact O-N 3.33Å
163	L	98.6	Very high	96.7	Very high	32 Å²	32	46.5 Å²	46.5	17%	0.168	23%	0.232	C	C	.	.	S	Bend	trans	-125.2	166	-173.3	-57.3	-171.2	0	0	0	110.3	A121 R122 L159 V165	A121-L163 HydrophobicContact CB-CD1 3.69Å; R122-L163 WeakPolarHBondContact O-CD2 3.41Å; L159-L163 HydrophobicContact CD2-CD1 3.89Å; L159-L163 HydrophobicContact CD2-CG 4.37Å; L159-L163 PolarHBondContact O-N 3.03Å; L163-V165 PolarHBondContact O-N 2.85Å; L163-V165 VanDerWaalsContact O-N 3.13Å
164	H	98.6	Very high	95.8	Very high	136 Å²	136	50.5 Å²	50.5	63%	0.63	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.6	99.2	172.4	-64.7	-69.6	0	0	0	110.4	S123 S124 V125	S123-H164 PolarHBondContact O-N 3.28Å; S124-H164 CarbonylContact C-O 3.56Å; S124-H164 WeakPolarHBondContact CA-O 3.44Å; V125-H164 PolarHBondContact N-O 3.44Å
165	V	98.9	Very high	95.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	118.4	175.8	-177.9	0	0	0	0	109.1	V125 L159 L163 I167 A188 D189	V125-V165 HydrophobicContact CB-CG2 4.29Å; V125-V165 CarbonylContact O-C 3.55Å; V125-V165 VanDerWaalsContact O-CA 3.3Å; V125-V165 WeakPolarHBondContact O-CA 3.26Å; L159-V165 HydrophobicContact CB-CG2 4.33Å; L163-V165 PolarHBondContact O-N 2.85Å; L163-V165 VanDerWaalsContact O-N 3.13Å; V165-I167 HydrophobicContact CG1-CG1 4.46Å; V165-A188 HydrophobicContact CB-CB 4.14Å; V165-A188 HydrophobicContact CG1-CB 4.04Å; V165-A188 CarbonylContact O-C 3.52Å; V165-A188 WeakPolarHBondContact O-CA 3.41Å; V165-D189 PolarHBondContact O-N 2.85Å
166	R	98.9	Very high	94.4	Very high	42 Å²	42	46.3 Å²	46.3	16%	0.158	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.4	177.5	-57.8	-172.3	-65.3	172.1	-5.6	111.1	V125 D126 I127 D189 F251 E252 W255	V125-R166 PolarHBondContact O-N 3.14Å; D126-R166 CarbonylContact C-O 3.02Å; D126-R166 WeakPolarHBondContact CA-O 3.38Å; D126-R166 VanDerWaalsContact CG-NH2 3.28Å; D126-R166 WeakPolarHBondContact OD1-CB 3.26Å; D126-R166 IonicContact OD1-CZ 3.83Å; D126-R166 IonicContact OD1-NE 3.18Å; D126-R166 PolarHBondContact OD1-NE 2.54Å; D126-R166 IonicContact OD1-NH2 3.61Å; D126-R166 PolarHBondContact OD1-NH2 3.42Å; D126-R166 IonicContact OD2-CZ 2.89Å; D126-R166 IonicContact OD2-NE 3.44Å; D126-R166 IonicContact OD2-NH2 2.75Å; D126-R166 PolarHBondContact OD2-NH2 3.03Å; I127-R166 PolarHBondContact N-O 3.42Å; R166-D189 CarbonylContact C-O 3.58Å; R166-D189 WeakPolarHBondContact CA-O 3.38Å; R166-D189 HydrophobicContact CG-CB 4.3Å; R166-F251 HydrophobicContact CB-CE1 4.21Å; R166-F251 HydrophobicContact CB-CZ 3.82Å; R166-E252 IonicContact CZ-OE1 3.01Å; R166-E252 IonicContact NH1-OE1 3.64Å; R166-E252 PolarHBondContact NH1-OE1 3.46Å; R166-E252 IonicContact NH1-OE2 2.85Å; R166-E252 IonicContact NH2-OE1 3.06Å; R166-E252 PolarHBondContact NH2-OE1 2.95Å; R166-W255 HydrophobicContact CB-CE3 4.32Å; R166-W255 HydrophobicContact CB-CH2 3.75Å; R166-W255 HydrophobicContact CB-CZ2 4.33Å; R166-W255 HydrophobicContact CB-CZ3 3.73Å; R166-W255 HydrophobicContact CG-CH2 4Å; R166-W255 HydrophobicContact CG-CZ2 4.15Å; R166-W255 HydrophobicContact CG-CZ3 4.44Å
167	I	98.8	Very high	94	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	109.6	-178	-58.5	173.3	0	0	0	109	I127 W132 V165 V169 L180 L183 A188 D189 V190 R191	I127-I167 HydrophobicContact CB-CG1 4.34Å; I127-I167 CarbonylContact O-C 3.54Å; I127-I167 WeakPolarHBondContact O-CA 3.21Å; W132-I167 HydrophobicContact CH2-CD1 4.09Å; W132-I167 HydrophobicContact CZ2-CD1 3.83Å; W132-I167 HydrophobicContact CZ2-CG1 4.29Å; W132-I167 HydrophobicContact CZ2-CG2 3.89Å; V165-I167 HydrophobicContact CG1-CG1 4.46Å; I167-V169 HydrophobicContact CG2-CB 4.24Å; I167-L180 HydrophobicContact CD1-CD2 4.5Å; I167-L180 HydrophobicContact CG2-CD2 4.15Å; I167-L183 HydrophobicContact CD1-CB 4.28Å; I167-L183 HydrophobicContact CD1-CD1 3.65Å; I167-L183 HydrophobicContact CD1-CG 4.5Å; I167-A188 HydrophobicContact CD1-CB 4.35Å; I167-D189 PolarHBondContact N-O 3.26Å; I167-V190 HydrophobicContact CB-CG2 4.38Å; I167-V190 HydrophobicContact CD1-CG2 4.26Å; I167-R191 PolarHBondContact O-N 3.17Å
168	A	98.5	Very high	93.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	115.9	166	0	0	0	0	0	108.4	I127 A128 S129 R191 V193 L203 F251 W255	I127-A168 PolarHBondContact O-N 3.43Å; A128-A168 WeakPolarHBondContact CA-O 3.46Å; S129-A168 PolarHBondContact N-O 2.71Å; S129-A168 PolarHBondContact OG-O 2.92Å; A168-R191 WeakPolarHBondContact CA-O 3.34Å; A168-V193 HydrophobicContact CB-CG2 4.41Å; A168-L203 HydrophobicContact CB-CD2 4.46Å; A168-F251 HydrophobicContact CB-CD2 4.43Å; A168-F251 HydrophobicContact CB-CE2 3.8Å; A168-F251 HydrophobicContact CB-CZ 4.26Å; A168-W255 HydrophobicContact CB-CE3 4.42Å
169	V	97.8	Very high	93.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	144.9	-175.4	70.4	0	0	0	0	111.2	S129 I167 Q172 L180 V190 R191 T192 V193	S129-V169 WeakPolarHBondContact O-CA 3.38Å; S129-V169 WeakPolarHBondContact OG-CG2 3.25Å; I167-V169 HydrophobicContact CG2-CB 4.24Å; V169-Q172 HydrophobicContact CG1-CG 4.27Å; V169-Q172 VanDerWaalsContact CG2-NE2 3.28Å; V169-L180 HydrophobicContact CG1-CD1 4.09Å; V169-L180 HydrophobicContact CG2-CD1 4.3Å; V169-V190 HydrophobicContact CG1-CG1 4.12Å; V169-R191 PolarHBondContact N-O 2.83Å; V169-T192 CarbonylContact O-C 3.56Å; V169-T192 WeakPolarHBondContact O-CA 3.23Å; V169-V193 PolarHBondContact O-N 3.39Å
170	D	96.6	Very high	93.8	Very high	7 Å²	7	45.4 Å²	45.4	4%	0.037	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.9	168.9	172.6	-169.5	47.7	0	0	0	112.6	S129 F130 Q172 K175 V202 L203	S129-D170 PolarHBondContact O-N 3.28Å; F130-D170 HydrophobicContact CD2-CB 3.79Å; F130-D170 HydrophobicContact CE2-CB 4.31Å; F130-D170 WeakPolarHBondContact CE2-OD2 3.41Å; F130-D170 WeakPolarHBondContact O-CB 3.38Å; D170-Q172 PolarHBondContact O-N 3Å; D170-Q172 PolarHBondContact O-NE2 2.84Å; D170-K175 IonicContact OD2-NZ 3.24Å; D170-K175 PolarHBondContact OD2-NZ 3.3Å; D170-V202 WeakPolarHBondContact OD1-CA 3.05Å; D170-L203 HydrophobicContact CB-CB 3.82Å; D170-L203 PolarHBondContact OD1-N 2.86Å
171	S	91.1	Very high	93.7	Very high	26 Å²	26	51.1 Å²	51.1	18%	0.182	29%	0.287	C	S	.	.			trans	-49.7	134.6	168.6	-172.6	0	0	0	0	112.1	K175 V193	S171-K175 PolarHBondContact O-NZ 2.97Å; S171-V193 PolarHBondContact N-O 3.15Å
172	Q	84.3	Confident	93.7	Very high	19 Å²	19	51.8 Å²	51.8	9%	0.089	28%	0.276	C	S	.	.			trans	-102.8	7.5	-172.5	-77.6	-41.1	-70.9	0	0	112.9	V169 D170 G174 K175 Q177 L180	V169-Q172 HydrophobicContact CG1-CG 4.27Å; V169-Q172 VanDerWaalsContact CG2-NE2 3.28Å; D170-Q172 PolarHBondContact O-N 3Å; D170-Q172 PolarHBondContact O-NE2 2.84Å; Q172-G174 PolarHBondContact O-N 3.04Å; Q172-G174 VanDerWaalsContact O-N 3.15Å; Q172-K175 PolarHBondContact O-N 3.13Å; Q172-Q177 PolarHBondContact O-NE2 3.28Å; Q172-L180 HydrophobicContact CG-CD1 3.89Å
173	E	82.3	Confident	93.8	Very high	145 Å²	145	44.3 Å²	44.3	68%	0.678	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	117.6	178.7	-169.9	-177.8	-170.2	0	0	111.3	K175 R196	E173-K175 VanDerWaalsContact C-N 3.31Å; E173-K175 PolarHBondContact O-N 3.33Å; E173-R196 IonicContact OE2-NH1 2.75Å; E173-R196 PolarHBondContact OE2-NH1 3.15Å
174	G	79.1	Confident	93.7	Very high	89 Å²	89	46.8 Å²	46.8	92%	0.918	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.4	9.9	179.3	0	0	0	0	0	115.7	Q172	Q172-G174 PolarHBondContact O-N 3.04Å; Q172-G174 VanDerWaalsContact O-N 3.15Å
175	K	84.3	Confident	93.7	Very high	51 Å²	51	45.2 Å²	45.2	22%	0.222	25%	0.253	C	S	.	.	S	Bend	trans	-105.1	150.8	178.4	-61.3	178	-175.9	161.6	0	111.6	F130 D170 S171 Q172 E173 Q177	F130-K175 PolarHBondContact O-NZ 3.28Å; F130-K175 VanDerWaalsContact O-NZ 3.12Å; D170-K175 IonicContact OD2-NZ 3.24Å; D170-K175 PolarHBondContact OD2-NZ 3.3Å; S171-K175 PolarHBondContact O-NZ 2.97Å; Q172-K175 PolarHBondContact O-N 3.13Å; E173-K175 VanDerWaalsContact C-N 3.31Å; E173-K175 PolarHBondContact O-N 3.33Å; K175-Q177 PolarHBondContact O-NE2 3.31Å
176	P	85.8	Confident	93.7	Very high	60 Å²	60	46.9 Å²	46.9	39%	0.39	26%	0.264	S	S	.	.			trans	-55.7	137.5	170.2	-22.6	32.9	0	0	0	111.8	T133 D138	T133-P176 HydrophobicContact CG2-CB 4.38Å; T133-P176 HydrophobicContact CG2-CG 4.1Å; D138-P176 HydrophobicContact CB-CB 4.34Å; D138-P176 HydrophobicContact CB-CG 3.69Å
177	Q	90.4	Very high	93.7	Very high	75 Å²	75	47 Å²	47	35%	0.35	28%	0.279	S	S	.	.			trans	-117.4	-2.3	-174	-64.7	-52.5	-59.9	0	0	114.2	Q172 K175 D179 L180 K181	Q172-Q177 PolarHBondContact O-NE2 3.28Å; K175-Q177 PolarHBondContact O-NE2 3.31Å; Q177-D179 PolarHBondContact O-N 3.14Å; Q177-L180 PolarHBondContact O-N 3.44Å; Q177-K181 WeakPolarHBondContact O-CB 3.19Å; Q177-K181 PolarHBondContact O-N 3.31Å
178	A	95.1	Very high	93.7	Very high	31 Å²	31	47.1 Å²	47.1	26%	0.256	28%	0.28	S	S	.	.	H	α-helix	trans	-60.5	-44.6	-170.1	0	0	0	0	0	112.9	E137 K181 L182	E137-A178 VanDerWaalsContact OE1-CB 3.29Å; E137-A178 WeakPolarHBondContact OE1-CB 3.23Å; E137-A178 WeakPolarHBondContact OE2-CB 3.27Å; A178-K181 PolarHBondContact O-N 3.44Å; A178-L182 WeakPolarHBondContact O-CB 3.28Å; A178-L182 PolarHBondContact O-N 2.92Å
179	D	97.8	Very high	93.7	Very high	8 Å²	8	51.2 Å²	51.2	4%	0.043	30%	0.302	C	S	.	.	H	α-helix	trans	-60.1	-50.4	177.4	-65.1	-0.1	0	0	0	112.4	W132 T133 L134 L153 Q177 K181 L182 L183	W132-D179 HydrophobicContact CB-CB 3.92Å; T133-D179 VanDerWaalsContact CA-OD2 3.31Å; T133-D179 WeakPolarHBondContact CA-OD2 3.12Å; T133-D179 PolarHBondContact N-OD2 3.23Å; L134-D179 PolarHBondContact N-OD2 3.05Å; L153-D179 HydrophobicContact CD1-CB 3.97Å; L153-D179 HydrophobicContact CD2-CB 4.23Å; L153-D179 WeakPolarHBondContact CD2-OD1 3.47Å; Q177-D179 PolarHBondContact O-N 3.14Å; D179-K181 VanDerWaalsContact C-N 3.3Å; D179-K181 PolarHBondContact O-N 2.83Å; D179-L182 WeakPolarHBondContact O-CB 3.28Å; D179-L182 PolarHBondContact O-N 2.79Å; D179-L183 VanDerWaalsContact O-CG 3.31Å; D179-L183 WeakPolarHBondContact O-CG 3.33Å; D179-L183 PolarHBondContact O-N 2.84Å
180	L	97.5	Very high	93.7	Very high	7 Å²	7	53.2 Å²	53.2	4%	0.037	31%	0.314	C	S	.	.	H	α-helix	trans	-63.7	-38.3	179.1	-73	176.4	0	0	0	111.5	W132 I167 V169 Q172 Q177 L183 N184 V190	W132-L180 HydrophobicContact CB-CD2 4.41Å; W132-L180 HydrophobicContact CB-CG 4.1Å; W132-L180 VanDerWaalsContact CD1-CD2 3.45Å; W132-L180 HydrophobicContact CD2-CD2 3.98Å; W132-L180 HydrophobicContact CG-CD2 3.71Å; W132-L180 HydrophobicContact CG-CG 3.92Å; I167-L180 HydrophobicContact CD1-CD2 4.5Å; I167-L180 HydrophobicContact CG2-CD2 4.15Å; V169-L180 HydrophobicContact CG1-CD1 4.09Å; V169-L180 HydrophobicContact CG2-CD1 4.3Å; Q172-L180 HydrophobicContact CG-CD1 3.89Å; Q177-L180 PolarHBondContact O-N 3.44Å; L180-L183 PolarHBondContact O-N 2.91Å; L180-N184 VanDerWaalsContact O-CB 3.31Å; L180-N184 WeakPolarHBondContact O-CB 3.38Å; L180-N184 PolarHBondContact O-N 2.92Å; L180-V190 HydrophobicContact CD1-CG1 4.48Å; L180-V190 HydrophobicContact CD2-CG1 3.96Å; L180-V190 HydrophobicContact CD2-CG2 4.38Å
181	K	97.5	Very high	93.7	Very high	126 Å²	126	57 Å²	57	55%	0.548	33%	0.327	S	S	.	.	H	α-helix	trans	-62.9	-46.5	174.5	-175.3	-178.5	179.7	-61.2	0	110.9	Q177 A178 D179 L183 N184 D185	Q177-K181 WeakPolarHBondContact O-CB 3.19Å; Q177-K181 PolarHBondContact O-N 3.31Å; A178-K181 PolarHBondContact O-N 3.44Å; D179-K181 VanDerWaalsContact C-N 3.3Å; D179-K181 PolarHBondContact O-N 2.83Å; K181-L183 VanDerWaalsContact C-N 3.32Å; K181-L183 PolarHBondContact O-N 2.95Å; K181-N184 PolarHBondContact O-N 3.4Å; K181-D185 IonicContact NZ-OD2 3.64Å; K181-D185 PolarHBondContact NZ-OD2 2.97Å; K181-D185 VanDerWaalsContact O-CB 3.3Å; K181-D185 WeakPolarHBondContact O-CB 3.45Å; K181-D185 PolarHBondContact O-N 2.9Å
182	L	98.4	Very high	94	Very high	76 Å²	76	58.8 Å²	58.8	40%	0.398	34%	0.338	S	S	.	.	H	α-helix	trans	-58.4	-44.9	176.2	173.6	65.3	0	0	0	111.5	L153 A157 A178 D179 D185 S186	L153-L182 HydrophobicContact CD1-CD2 4.26Å; L153-L182 HydrophobicContact CD2-CD2 3.84Å; L153-L182 HydrophobicContact CG-CD2 3.85Å; A157-L182 HydrophobicContact CB-CG 4.49Å; A178-L182 WeakPolarHBondContact O-CB 3.28Å; A178-L182 PolarHBondContact O-N 2.92Å; D179-L182 WeakPolarHBondContact O-CB 3.28Å; D179-L182 PolarHBondContact O-N 2.79Å; L182-D185 PolarHBondContact O-N 2.76Å; L182-S186 VanDerWaalsContact O-CB 3.29Å; L182-S186 WeakPolarHBondContact O-CB 3.48Å; L182-S186 PolarHBondContact O-N 3.13Å; L182-S186 PolarHBondContact O-OG 3.04Å
183	L	98.7	Very high	94.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-45.7	179	-69.6	168.4	0	0	0	111.5	W132 L153 L156 A157 I167 D179 L180 K181 S186 G187 A188	W132-L183 HydrophobicContact CD2-CD1 4.36Å; W132-L183 HydrophobicContact CE3-CD1 3.76Å; W132-L183 HydrophobicContact CH2-CD1 3.82Å; W132-L183 HydrophobicContact CZ2-CD1 4.39Å; W132-L183 HydrophobicContact CZ3-CD1 3.47Å; W132-L183 VanDerWaalsContact CZ3-CD1 3.47Å; L153-L183 HydrophobicContact CD1-CD1 3.94Å; L153-L183 HydrophobicContact CD1-CD2 4.01Å; L153-L183 HydrophobicContact CD1-CG 3.81Å; L156-L183 HydrophobicContact CB-CD2 3.55Å; A157-L183 HydrophobicContact CB-CD2 4.37Å; I167-L183 HydrophobicContact CD1-CB 4.28Å; I167-L183 HydrophobicContact CD1-CD1 3.65Å; I167-L183 HydrophobicContact CD1-CG 4.5Å; D179-L183 VanDerWaalsContact O-CG 3.31Å; D179-L183 WeakPolarHBondContact O-CG 3.33Å; D179-L183 PolarHBondContact O-N 2.84Å; L180-L183 PolarHBondContact O-N 2.91Å; K181-L183 VanDerWaalsContact C-N 3.32Å; K181-L183 PolarHBondContact O-N 2.95Å; L183-S186 CarbonylContact O-C 3.46Å; L183-S186 WeakPolarHBondContact O-CA 3.21Å; L183-S186 PolarHBondContact O-N 3.47Å; L183-S186 VanDerWaalsContact O-N 3.12Å; L183-G187 PolarHBondContact O-N 2.84Å; L183-A188 HydrophobicContact CB-CB 4.04Å; L183-A188 VanDerWaalsContact O-CB 3.29Å; L183-A188 WeakPolarHBondContact O-CB 3.35Å; L183-A188 PolarHBondContact O-N 2.84Å
184	N	98.3	Very high	95.2	Very high	83 Å²	83	54.5 Å²	54.5	44%	0.444	32%	0.32	S	S	.	.	H	α-helix	trans	-62.4	-45.3	176.3	-172	75.4	0	0	0	112.1	L180 K181 S186 G187 A188 V190	L180-N184 VanDerWaalsContact O-CB 3.31Å; L180-N184 WeakPolarHBondContact O-CB 3.38Å; L180-N184 PolarHBondContact O-N 2.92Å; K181-N184 PolarHBondContact O-N 3.4Å; N184-S186 PolarHBondContact O-N 2.87Å; N184-G187 PolarHBondContact O-N 2.95Å; N184-A188 WeakPolarHBondContact CA-O 3.35Å; N184-A188 PolarHBondContact OD1-O 3.02Å; N184-V190 HydrophobicContact CB-CG2 4.01Å
185	D	98.6	Very high	96	Very high	104 Å²	104	50.2 Å²	50.2	56%	0.556	28%	0.276	S	S	*	.	H	α-helix	trans	-63.7	-23.3	175.4	-68.7	-12.2	0	0	0	112.1	K181 L182	K181-D185 IonicContact NZ-OD2 3.64Å; K181-D185 PolarHBondContact NZ-OD2 2.97Å; K181-D185 VanDerWaalsContact O-CB 3.3Å; K181-D185 WeakPolarHBondContact O-CB 3.45Å; K181-D185 PolarHBondContact O-N 2.9Å; L182-D185 PolarHBondContact O-N 2.76Å
186	S	98.7	Very high	96.4	Very high	35 Å²	35	55.7 Å²	55.7	25%	0.245	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-1.6	176.5	-55.2	0	0	0	0	113.8	A157 S160 G161 L182 L183 N184	A157-S186 WeakPolarHBondContact O-CB 3.39Å; S160-S186 CarbonylContact C-O 3.53Å; S160-S186 WeakPolarHBondContact CB-O 3.41Å; G161-S186 VanDerWaalsContact CA-O 3.32Å; G161-S186 WeakPolarHBondContact CA-O 3.31Å; G161-S186 PolarHBondContact N-O 2.87Å; L182-S186 VanDerWaalsContact O-CB 3.29Å; L182-S186 WeakPolarHBondContact O-CB 3.48Å; L182-S186 PolarHBondContact O-N 3.13Å; L182-S186 PolarHBondContact O-OG 3.04Å; L183-S186 CarbonylContact O-C 3.46Å; L183-S186 WeakPolarHBondContact O-CA 3.21Å; L183-S186 PolarHBondContact O-N 3.47Å; L183-S186 VanDerWaalsContact O-N 3.12Å; N184-S186 PolarHBondContact O-N 2.87Å
187	G	98.7	Very high	96.8	Very high	46 Å²	46	56.2 Å²	56.2	47%	0.474	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.2	4.3	175.2	0	0	0	0	0	116.1	L183 N184	L183-G187 PolarHBondContact O-N 2.84Å; N184-G187 PolarHBondContact O-N 2.95Å
188	A	98.8	Very high	97.1	Very high	1 Å²	1	54 Å²	54	1%	0.008	30%	0.295	C	S	.	.			trans	-75.9	140.5	175.5	0	0	0	0	0	110.8	V165 I167 L183 N184 V190	V165-A188 HydrophobicContact CB-CB 4.14Å; V165-A188 HydrophobicContact CG1-CB 4.04Å; V165-A188 CarbonylContact O-C 3.52Å; V165-A188 WeakPolarHBondContact O-CA 3.41Å; I167-A188 HydrophobicContact CD1-CB 4.35Å; L183-A188 HydrophobicContact CB-CB 4.04Å; L183-A188 VanDerWaalsContact O-CB 3.29Å; L183-A188 WeakPolarHBondContact O-CB 3.35Å; L183-A188 PolarHBondContact O-N 2.84Å; N184-A188 WeakPolarHBondContact CA-O 3.35Å; N184-A188 PolarHBondContact OD1-O 3.02Å; A188-V190 PolarHBondContact O-N 2.88Å
189	D	98.5	Very high	97.1	Very high	87 Å²	87	53.3 Å²	53.3	47%	0.465	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	105.3	169.3	-67.4	-54.7	0	0	0	109.4	V165 R166 I167 W255	V165-D189 PolarHBondContact O-N 2.85Å; R166-D189 CarbonylContact C-O 3.58Å; R166-D189 WeakPolarHBondContact CA-O 3.38Å; R166-D189 HydrophobicContact CG-CB 4.3Å; I167-D189 PolarHBondContact N-O 3.26Å; D189-W255 HydrophobicContact CB-CH2 3.68Å; D189-W255 HydrophobicContact CB-CZ2 4.09Å; D189-W255 WeakPolarHBondContact O-CH2 3.25Å
190	V	97.6	Very high	96.9	Very high	41 Å²	41	57.8 Å²	57.8	25%	0.248	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	125.5	177.1	-176.1	0	0	0	0	110.2	I167 V169 L180 N184 A188	I167-V190 HydrophobicContact CB-CG2 4.38Å; I167-V190 HydrophobicContact CD1-CG2 4.26Å; V169-V190 HydrophobicContact CG1-CG1 4.12Å; L180-V190 HydrophobicContact CD1-CG1 4.48Å; L180-V190 HydrophobicContact CD2-CG1 3.96Å; L180-V190 HydrophobicContact CD2-CG2 4.38Å; N184-V190 HydrophobicContact CB-CG2 4.01Å; A188-V190 PolarHBondContact O-N 2.88Å
191	R	97	Very high	96.8	Very high	86 Å²	86	57.8 Å²	57.8	33%	0.325	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	119.2	-179.4	-172.7	171.6	-69.3	-160	-0.5	111.6	I167 A168 V169 W255 G258	I167-R191 PolarHBondContact O-N 3.17Å; A168-R191 WeakPolarHBondContact CA-O 3.34Å; V169-R191 PolarHBondContact N-O 2.83Å; R191-W255 HydrophobicContact CB-CD2 4.5Å; R191-W255 HydrophobicContact CB-CE3 3.79Å; R191-W255 HydrophobicContact CB-CH2 3.76Å; R191-W255 HydrophobicContact CB-CZ2 4.48Å; R191-W255 HydrophobicContact CB-CZ3 3.37Å; R191-W255 WeakPolarHBondContact CD-O 3.41Å; R191-W255 HydrophobicContact CG-CE3 4.4Å; R191-W255 HydrophobicContact CG-CZ3 4.38Å; R191-W255 PolarHBondContact NH1-O 3.12Å; R191-G258 WeakPolarHBondContact CD-O 3.33Å
192	T	96.3	Very high	96.7	Very high	65 Å²	65	53.9 Å²	53.9	40%	0.399	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	130.1	175.4	-56.4	0	0	0	0	111.2	V169 G258	V169-T192 CarbonylContact O-C 3.56Å; V169-T192 WeakPolarHBondContact O-CA 3.23Å; T192-G258 WeakPolarHBondContact O-CA 3.3Å
193	V	96.8	Very high	96.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	108.8	173.7	-172.1	0	0	0	0	108.4	A168 V169 S171 M195 L198 L203 Y254 V257	A168-V193 HydrophobicContact CB-CG2 4.41Å; V169-V193 PolarHBondContact O-N 3.39Å; S171-V193 PolarHBondContact N-O 3.15Å; V193-M195 VanDerWaalsContact C-N 3.25Å; V193-M195 HydrophobicContact CG1-CG 3.96Å; V193-M195 HydrophobicContact CG1-SD 3.84Å; V193-M195 PolarHBondContact O-N 3.06Å; V193-L198 HydrophobicContact CG1-CD1 4.13Å; V193-L203 HydrophobicContact CB-CD2 4.32Å; V193-L203 HydrophobicContact CG2-CD2 4.21Å; V193-Y254 WeakPolarHBondContact CG2-O 3.42Å; V193-V257 HydrophobicContact CG1-CG2 3.78Å
194	N	95.6	Very high	96.6	Very high	73 Å²	73	50.6 Å²	50.6	39%	0.39	29%	0.287	S	S	.	.			trans	-80.2	72.4	-178.2	-169.4	-10.6	0	0	0	111.4	R196 A197 L198	N194-R196 PolarHBondContact O-N 2.99Å; N194-A197 HydrophobicContact CB-CB 4.27Å; N194-A197 PolarHBondContact O-N 3.31Å; N194-A197 VanDerWaalsContact O-N 3.09Å; N194-A197 PolarHBondContact OD1-N 3.12Å; N194-A197 VanDerWaalsContact OD1-N 3.11Å; N194-L198 WeakPolarHBondContact O-CG 3.37Å; N194-L198 PolarHBondContact O-N 3.09Å
195	M	95.3	Very high	96.5	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-62	-29.4	-178.9	-72.7	-60.9	-65.6	0	0	113.1	V193 A197 L198 T199 T200 G201 L203 F301 A444	V193-M195 VanDerWaalsContact C-N 3.25Å; V193-M195 HydrophobicContact CG1-CG 3.96Å; V193-M195 HydrophobicContact CG1-SD 3.84Å; V193-M195 PolarHBondContact O-N 3.06Å; M195-A197 VanDerWaalsContact C-N 3.32Å; M195-A197 PolarHBondContact O-N 3.48Å; M195-L198 PolarHBondContact O-N 3.33Å; M195-L198 HydrophobicContact SD-CD1 4.24Å; M195-T199 HydrophobicContact CE-CG2 3.75Å; M195-T199 WeakPolarHBondContact CE-OG1 3.49Å; M195-T199 PolarHBondContact O-N 2.92Å; M195-T199 PolarHBondContact O-OG1 3.32Å; M195-T200 PolarHBondContact O-N 2.88Å; M195-G201 CarbonylContact C-O 3.44Å; M195-G201 VanDerWaalsContact C-O 3.29Å; M195-L203 HydrophobicContact CG-CB 3.81Å; M195-F301 HydrophobicContact CE-CD2 4.2Å; M195-F301 HydrophobicContact CE-CE2 3.59Å; M195-F301 HydrophobicContact CE-CZ 3.9Å; M195-F301 HydrophobicContact SD-CE1 4.21Å; M195-F301 HydrophobicContact SD-CE2 3.72Å; M195-F301 HydrophobicContact SD-CZ 3.4Å; M195-F301 WeakPolarHBondContact SD-CZ 3.41Å; M195-A444 HydrophobicContact CE-CB 3.46Å; M195-A444 VanDerWaalsContact CE-CB 3.46Å; M195-A444 HydrophobicContact SD-CB 4.23Å
196	R	93.4	Very high	96.5	Very high	166 Å²	166	41.8 Å²	41.8	63%	0.626	24%	0.239	S	C	*	.	H	α-helix	trans	-59.1	-44.7	173.5	179.2	179.7	-78.8	174	-5.2	111.1	E173 N194 T200 G201	E173-R196 IonicContact OE2-NH1 2.75Å; E173-R196 PolarHBondContact OE2-NH1 3.15Å; N194-R196 PolarHBondContact O-N 2.99Å; R196-T200 WeakPolarHBondContact O-CA 3.49Å; R196-T200 PolarHBondContact O-N 3.28Å; R196-G201 WeakPolarHBondContact CA-O 3.43Å; R196-G201 PolarHBondContact N-O 3.49Å; R196-G201 VanDerWaalsContact N-O 3.15Å
197	A	94.1	Very high	96.5	Very high	71 Å²	71	40.1 Å²	40.1	59%	0.587	23%	0.228	S	C	*	.	H	α-helix	trans	-70.9	-39.3	176	0	0	0	0	0	112.4	N194 M195	N194-A197 HydrophobicContact CB-CB 4.27Å; N194-A197 PolarHBondContact O-N 3.31Å; N194-A197 VanDerWaalsContact O-N 3.09Å; N194-A197 PolarHBondContact OD1-N 3.12Å; N194-A197 VanDerWaalsContact OD1-N 3.11Å; M195-A197 VanDerWaalsContact C-N 3.32Å; M195-A197 PolarHBondContact O-N 3.48Å
198	L	95.5	Very high	96.5	Very high	27 Å²	27	38 Å²	38	14%	0.141	21%	0.205	C	C	.	.	H	α-helix	trans	-76.7	-33.9	-173.7	-65.3	170.3	0	0	0	113.8	V193 N194 M195 V257 I263 F301	V193-L198 HydrophobicContact CG1-CD1 4.13Å; N194-L198 WeakPolarHBondContact O-CG 3.37Å; N194-L198 PolarHBondContact O-N 3.09Å; M195-L198 PolarHBondContact O-N 3.33Å; M195-L198 HydrophobicContact SD-CD1 4.24Å; L198-V257 HydrophobicContact CD1-CB 4.11Å; L198-V257 HydrophobicContact CD1-CG2 4.05Å; L198-I263 HydrophobicContact CB-CD1 4.21Å; L198-I263 HydrophobicContact CB-CG1 4.18Å; L198-I263 HydrophobicContact CD2-CG1 4.12Å; L198-F301 HydrophobicContact CD1-CZ 4.26Å
199	T	95.1	Very high	96.5	Very high	18 Å²	18	38 Å²	38	11%	0.11	21%	0.205	C	C	.	.	H	α-helix	trans	-146.2	-4.1	-167.1	62.4	0	0	0	0	114	M195 G201 I263 P298 F301 N442	M195-T199 HydrophobicContact CE-CG2 3.75Å; M195-T199 WeakPolarHBondContact CE-OG1 3.49Å; M195-T199 PolarHBondContact O-N 2.92Å; M195-T199 PolarHBondContact O-OG1 3.32Å; T199-G201 PolarHBondContact O-N 2.93Å; T199-G201 VanDerWaalsContact O-N 3.16Å; T199-G201 PolarHBondContact OG1-N 3.43Å; T199-G201 VanDerWaalsContact OG1-N 3.13Å; T199-I263 HydrophobicContact CG2-CD1 3.69Å; T199-P298 HydrophobicContact CG2-CG 4.05Å; T199-F301 HydrophobicContact CG2-CD2 4.29Å; T199-F301 HydrophobicContact CG2-CE2 3.75Å; T199-N442 VanDerWaalsContact CB-O 3.25Å; T199-N442 WeakPolarHBondContact CB-O 3.48Å; T199-N442 WeakPolarHBondContact O-CB 3.28Å; T199-N442 PolarHBondContact OG1-O 3.32Å
200	T	93.9	Very high	96.5	Very high	101 Å²	101	33.9 Å²	33.9	62%	0.62	18%	0.183	S	C	*	.	S	Bend	trans	64.6	-0.8	-166.6	74.5	0	0	0	0	115.8	M195 R196	M195-T200 PolarHBondContact O-N 2.88Å; R196-T200 WeakPolarHBondContact O-CA 3.49Å; R196-T200 PolarHBondContact O-N 3.28Å
201	G	95.3	Very high	96.6	Very high	8 Å²	8	33.1 Å²	33.1	8%	0.082	18%	0.178	C	C	.	.	S	Bend	trans	-94.2	-154.7	174.7	0	0	0	0	0	113.4	M195 R196 T199	M195-G201 CarbonylContact C-O 3.44Å; M195-G201 VanDerWaalsContact C-O 3.29Å; R196-G201 WeakPolarHBondContact CA-O 3.43Å; R196-G201 PolarHBondContact N-O 3.49Å; R196-G201 VanDerWaalsContact N-O 3.15Å; T199-G201 PolarHBondContact O-N 2.93Å; T199-G201 VanDerWaalsContact O-N 3.16Å; T199-G201 PolarHBondContact OG1-N 3.43Å; T199-G201 VanDerWaalsContact OG1-N 3.13Å
202	V	96.6	Very high	96.6	Very high	43 Å²	43	33.6 Å²	33.6	26%	0.261	18%	0.182	S	C	.	.			trans	-133	162	176.9	-66.2	0	0	0	0	110.9	F130 D170 H204 T443 A444	F130-V202 HydrophobicContact CD2-CB 4.21Å; F130-V202 HydrophobicContact CD2-CG2 4.37Å; F130-V202 HydrophobicContact CE2-CB 3.7Å; F130-V202 HydrophobicContact CE2-CG1 3.9Å; F130-V202 HydrophobicContact CE2-CG2 3.91Å; F130-V202 HydrophobicContact CZ-CG2 4.47Å; D170-V202 WeakPolarHBondContact OD1-CA 3.05Å; V202-H204 HydrophobicContact CG2-CB 4.11Å; V202-H204 PolarHBondContact O-N 2.65Å; V202-T443 HydrophobicContact CG2-CG2 3.88Å; V202-T443 WeakPolarHBondContact O-CA 3.17Å; V202-T443 WeakPolarHBondContact O-CG2 3.39Å; V202-A444 PolarHBondContact O-N 3.44Å
203	L	97.7	Very high	96.7	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-80.9	95.7	164.8	177.1	61.5	0	0	0	108.8	F130 A168 D170 V193 M195 Y254 A444	F130-L203 VanDerWaalsContact CA-O 3.28Å; F130-L203 WeakPolarHBondContact CA-O 3.38Å; F130-L203 VanDerWaalsContact CB-O 3.32Å; F130-L203 WeakPolarHBondContact CB-O 3.43Å; F130-L203 VanDerWaalsContact CD2-O 3.28Å; F130-L203 WeakPolarHBondContact CD2-O 3.48Å; A168-L203 HydrophobicContact CB-CD2 4.46Å; D170-L203 HydrophobicContact CB-CB 3.82Å; D170-L203 PolarHBondContact OD1-N 2.86Å; V193-L203 HydrophobicContact CB-CD2 4.32Å; V193-L203 HydrophobicContact CG2-CD2 4.21Å; M195-L203 HydrophobicContact CG-CB 3.81Å; L203-Y254 HydrophobicContact CD1-CD1 4.13Å; L203-Y254 HydrophobicContact CD1-CD2 3.91Å; L203-Y254 HydrophobicContact CD1-CE1 3.97Å; L203-Y254 HydrophobicContact CD1-CE2 3.71Å; L203-Y254 HydrophobicContact CD1-CG 4.11Å; L203-A444 HydrophobicContact CD1-CB 3.73Å
204	H	97.3	Very high	96.8	Very high	8 Å²	8	34.1 Å²	34.1	4%	0.037	18%	0.181	C	C	.	.			trans	-101.4	15.3	-177.9	-157.2	-100.1	0	0	0	113.4	F130 V202 K206 T432 Y439 T443 A444	F130-H204 AromaticContact CD1-CD2 3.75Å; F130-H204 AromaticContact CG-CD2 3.97Å; V202-H204 HydrophobicContact CG2-CB 4.11Å; V202-H204 PolarHBondContact O-N 2.65Å; H204-K206 PolarHBondContact CD2-NZ 3.32Å; H204-K206 PolarHBondContact CE1-NZ 3.44Å; H204-K206 VanDerWaalsContact CE1-NZ 3.28Å; H204-K206 PolarHBondContact ND1-NZ 3Å; H204-K206 PolarHBondContact NE2-NZ 3.26Å; H204-K206 WeakPolarHBondContact O-CD 3.48Å; H204-K206 WeakPolarHBondContact O-CE 3.29Å; H204-K206 PolarHBondContact O-NZ 3Å; H204-T432 PolarHBondContact CE1-O 2.9Å; H204-T432 VanDerWaalsContact CE1-O 3.27Å; H204-T432 PolarHBondContact ND1-O 2.9Å; H204-T432 WeakPolarHBondContact O-CB 3.29Å; H204-Y439 AromaticContact CE1-CE1 3.96Å; H204-Y439 AromaticContact CG-CE1 3.95Å; H204-Y439 AromaticContact ND1-CE1 3.77Å; H204-T443 HydrophobicContact CB-CG2 3.33Å; H204-A444 CarbonylContact C-O 3.57Å; H204-A444 WeakPolarHBondContact CA-O 3.47Å; H204-A444 PolarHBondContact N-O 3.43Å
205	T	95.5	Very high	96.9	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.163	C	C	.	.			trans	-76	144.3	176.1	-64	0	0	0	0	110.9	A128 S129 F207 Y254 T432 A444 G445	A128-T205 CarbonylContact C-O 3.54Å; A128-T205 HydrophobicContact CB-CG2 3.84Å; S129-T205 WeakPolarHBondContact CA-O 3.36Å; T205-F207 HydrophobicContact CG2-CB 4.43Å; T205-F207 HydrophobicContact CG2-CD1 3.02Å; T205-F207 HydrophobicContact CG2-CE1 3.34Å; T205-F207 HydrophobicContact CG2-CG 3.9Å; T205-F207 HydrophobicContact CG2-CZ 4.38Å; T205-Y254 HydrophobicContact CG2-CE2 4.12Å; T205-Y254 PolarHBondContact OG1-OH 3.36Å; T205-T432 HydrophobicContact CG2-CG2 4.43Å; T205-A444 PolarHBondContact N-O 2.8Å; T205-A444 VanDerWaalsContact N-O 3.15Å; T205-A444 PolarHBondContact OG1-O 3.49Å; T205-G445 WeakPolarHBondContact OG1-CA 3.48Å
206	K	98.3	Very high	97.1	Very high	2 Å²	2	30.7 Å²	30.7	1%	0.009	16%	0.163	C	C	.	.			trans	-134.7	86.5	170.8	-46.7	95	171.6	67.5	0	109.2	A128 H204 G218 S219 A220 N221 T432	A128-K206 WeakPolarHBondContact O-CA 3.37Å; H204-K206 PolarHBondContact CD2-NZ 3.32Å; H204-K206 PolarHBondContact CE1-NZ 3.44Å; H204-K206 VanDerWaalsContact CE1-NZ 3.28Å; H204-K206 PolarHBondContact ND1-NZ 3Å; H204-K206 PolarHBondContact NE2-NZ 3.26Å; H204-K206 WeakPolarHBondContact O-CD 3.48Å; H204-K206 WeakPolarHBondContact O-CE 3.29Å; H204-K206 PolarHBondContact O-NZ 3Å; K206-G218 PolarHBondContact O-N 2.99Å; K206-S219 WeakPolarHBondContact CE-O 3.46Å; K206-A220 VanDerWaalsContact CB-O 3.25Å; K206-A220 WeakPolarHBondContact CB-O 3.24Å; K206-A220 VanDerWaalsContact CG-O 3.3Å; K206-A220 WeakPolarHBondContact CG-O 3.34Å; K206-N221 WeakPolarHBondContact CE-OD1 3.48Å; K206-N221 PolarHBondContact NZ-OD1 2.71Å; K206-T432 HydrophobicContact CD-CG2 4.32Å
207	F	98.6	Very high	97.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	157.7	175.6	73.8	-124	0	0	0	111.3	A128 T205 V209 Y216 I217 L247 I250 F251 Y254	A128-F207 HydrophobicContact CB-CD1 4.29Å; A128-F207 HydrophobicContact CB-CD2 4.14Å; A128-F207 HydrophobicContact CB-CE1 4.03Å; A128-F207 HydrophobicContact CB-CE2 3.83Å; A128-F207 HydrophobicContact CB-CG 4.3Å; A128-F207 HydrophobicContact CB-CZ 3.76Å; A128-F207 PolarHBondContact N-O 2.77Å; A128-F207 PolarHBondContact O-N 2.98Å; T205-F207 HydrophobicContact CG2-CB 4.43Å; T205-F207 HydrophobicContact CG2-CD1 3.02Å; T205-F207 HydrophobicContact CG2-CE1 3.34Å; T205-F207 HydrophobicContact CG2-CG 3.9Å; T205-F207 HydrophobicContact CG2-CZ 4.38Å; F207-V209 HydrophobicContact CD2-CG2 4.13Å; F207-V209 HydrophobicContact CE2-CG2 4.02Å; F207-Y216 CarbonylContact C-O 3.54Å; F207-Y216 WeakPolarHBondContact CA-O 3.38Å; F207-Y216 WeakPolarHBondContact CB-O 3.02Å; F207-I217 HydrophobicContact CB-CB 4.06Å; F207-I217 HydrophobicContact CB-CG1 4.18Å; F207-L247 HydrophobicContact CB-CD2 4.15Å; F207-L247 HydrophobicContact CD1-CD1 3.64Å; F207-L247 HydrophobicContact CD1-CD2 4.39Å; F207-L247 HydrophobicContact CD1-CG 4.28Å; F207-L247 HydrophobicContact CD2-CD1 4.24Å; F207-L247 HydrophobicContact CD2-CD2 3.84Å; F207-L247 HydrophobicContact CD2-CG 3.97Å; F207-L247 HydrophobicContact CE1-CD1 3.64Å; F207-L247 HydrophobicContact CE1-CG 4.29Å; F207-L247 HydrophobicContact CE2-CD1 4.27Å; F207-L247 HydrophobicContact CE2-CD2 4.38Å; F207-L247 HydrophobicContact CE2-CG 4.02Å; F207-L247 HydrophobicContact CG-CD1 4.01Å; F207-L247 HydrophobicContact CG-CD2 3.91Å; F207-L247 HydrophobicContact CG-CG 4.18Å; F207-L247 HydrophobicContact CZ-CD1 4Å; F207-L247 HydrophobicContact CZ-CG 4.2Å; F207-I250 HydrophobicContact CE1-CB 4.36Å; F207-I250 HydrophobicContact CE1-CG2 3.89Å; F207-I250 HydrophobicContact CZ-CB 4.39Å; F207-I250 HydrophobicContact CZ-CG2 4.22Å; F207-F251 HydrophobicContact CE2-CB 3.85Å; F207-F251 HydrophobicContact CE2-CD2 4.06Å; F207-F251 HydrophobicContact CE2-CG 4.43Å; F207-F251 HydrophobicContact CZ-CB 3.88Å; F207-F251 HydrophobicContact CZ-CD2 4.45Å; F207-Y254 AromaticContact CE1-CE2 3.97Å; F207-Y254 HydrophobicContact CE1-CE2 3.97Å; F207-Y254 HydrophobicContact CZ-CD2 4.45Å; F207-Y254 HydrophobicContact CZ-CE2 4.13Å
208	W	98.9	Very high	97.6	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	142.1	174	-59.2	31.9	0	0	0	108.4	W114 M118 V125 D126 I127 V152 L156 I215 Y216 M222	W114-W208 HydrophobicContact CB-CH2 4.05Å; W114-W208 HydrophobicContact CB-CZ2 4.29Å; W114-W208 HydrophobicContact CD2-CH2 4.25Å; W114-W208 AromaticContact CD2-CZ2 3.62Å; W114-W208 HydrophobicContact CD2-CZ2 3.62Å; W114-W208 AromaticContact CE2-NE1 3.83Å; W114-W208 HydrophobicContact CE3-CH2 4.44Å; W114-W208 AromaticContact CE3-CZ2 3.83Å; W114-W208 HydrophobicContact CE3-CZ2 3.83Å; W114-W208 HydrophobicContact CG-CH2 4.11Å; W114-W208 AromaticContact CG-CZ2 3.85Å; W114-W208 HydrophobicContact CG-CZ2 3.85Å; W114-W208 HydrophobicContact CZ3-CZ2 4.37Å; W114-W208 AromaticContact NE1-NE1 3.89Å; M118-W208 HydrophobicContact CG-CH2 4.41Å; M118-W208 HydrophobicContact CG-CZ3 3.84Å; M118-W208 HydrophobicContact SD-CH2 4.4Å; M118-W208 HydrophobicContact SD-CZ3 4.38Å; V125-W208 HydrophobicContact CG1-CE3 4.14Å; V125-W208 HydrophobicContact CG1-CZ3 4.48Å; D126-W208 CarbonylContact O-C 3.54Å; D126-W208 VanDerWaalsContact O-CA 3.26Å; D126-W208 WeakPolarHBondContact O-CA 3.26Å; I127-W208 HydrophobicContact CD1-CD2 4.11Å; I127-W208 HydrophobicContact CD1-CE3 4.23Å; I127-W208 HydrophobicContact CD1-CH2 4.23Å; I127-W208 HydrophobicContact CD1-CZ2 4.11Å; I127-W208 HydrophobicContact CD1-CZ3 4.28Å; I127-W208 HydrophobicContact CG1-CD2 4.05Å; I127-W208 HydrophobicContact CG1-CE3 4.4Å; I127-W208 HydrophobicContact CG1-CG 4.17Å; V152-W208 HydrophobicContact CG1-CH2 4.46Å; L156-W208 HydrophobicContact CD1-CH2 4.07Å; L156-W208 HydrophobicContact CD2-CH2 4.06Å; L156-W208 HydrophobicContact CD2-CZ3 4.08Å; L156-W208 HydrophobicContact CG-CH2 4.36Å; W208-I215 WeakPolarHBondContact O-CA 3.29Å; W208-Y216 AromaticContact CD1-CD1 3.62Å; W208-Y216 HydrophobicContact CG-CD1 4.28Å; W208-Y216 PolarHBondContact N-O 2.85Å; W208-Y216 PolarHBondContact O-N 3.2Å; W208-M222 HydrophobicContact CZ2-CE 4.01Å; W208-M222 HydrophobicContact CZ2-SD 4.08Å
209	V	98.9	Very high	97.7	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.1	165.2	-176.5	0	0	0	0	107.2	D126 F207 I215 A244 L247 E248	D126-V209 HydrophobicContact CB-CB 4.26Å; D126-V209 PolarHBondContact N-O 3.32Å; D126-V209 PolarHBondContact O-N 3.05Å; F207-V209 HydrophobicContact CD2-CG2 4.13Å; F207-V209 HydrophobicContact CE2-CG2 4.02Å; V209-I215 HydrophobicContact CG2-CG2 4.27Å; V209-A244 HydrophobicContact CG1-CB 4.36Å; V209-L247 HydrophobicContact CG2-CB 4.12Å; V209-L247 HydrophobicContact CG2-CD2 3.86Å; V209-L247 HydrophobicContact CG2-CG 3.81Å; V209-E248 HydrophobicContact CG1-CB 4.45Å
210	V	98.9	Very high	97.9	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.006	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	123.9	-177.5	-179.8	0	0	0	0	109	L117 A121 S124 V125 K212 M213 H214	L117-V210 HydrophobicContact CB-CG2 4.25Å; L117-V210 HydrophobicContact CD2-CG2 4.2Å; A121-V210 HydrophobicContact CB-CG1 3.64Å; S124-V210 WeakPolarHBondContact O-CA 3.4Å; V125-V210 HydrophobicContact CG1-CG2 4.3Å; V125-V210 HydrophobicContact CG2-CG1 4.32Å; V125-V210 HydrophobicContact CG2-CG2 4.36Å; V210-K212 PolarHBondContact O-N 3.1Å; V210-M213 PolarHBondContact O-N 3.42Å; V210-H214 HydrophobicContact CB-CB 4.26Å; V210-H214 PolarHBondContact N-O 3.24Å; V210-H214 PolarHBondContact O-N 3.27Å
211	D	98.6	Very high	98.1	Very high	25 Å²	25	13 Å²	13	13%	0.134	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	24.7	-179.9	-62.4	-33.5	0	0	0	114.9	A121 R122 S123 S124 M213	A121-D211 VanDerWaalsContact CA-OD2 3.31Å; A121-D211 WeakPolarHBondContact CA-OD2 3.3Å; R122-D211 PolarHBondContact N-OD1 3.02Å; R122-D211 PolarHBondContact N-OD2 3.28Å; S123-D211 WeakPolarHBondContact CA-OD1 3.37Å; S123-D211 WeakPolarHBondContact CB-OD1 3.4Å; S123-D211 PolarHBondContact N-OD1 3.35Å; S123-D211 PolarHBondContact OG-OD1 2.99Å; S124-D211 PolarHBondContact N-OD1 3.5Å; S124-D211 PolarHBondContact O-N 3.47Å; D211-M213 HydrophobicContact CB-CB 4.38Å; D211-M213 PolarHBondContact O-N 3.27Å; D211-M213 VanDerWaalsContact O-N 3.08Å
212	K	97.5	Very high	98.2	Very high	96 Å²	96	12.7 Å²	12.7	42%	0.417	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	30.8	-169.6	-51.3	179.8	-173.9	-128.5	0	112.8	V210 S241 A244 E248	V210-K212 PolarHBondContact O-N 3.1Å; K212-S241 VanDerWaalsContact O-CA 3.32Å; K212-S241 WeakPolarHBondContact O-CA 3.34Å; K212-A244 WeakPolarHBondContact O-CB 3.35Å; K212-E248 WeakPolarHBondContact CD-OE2 3.49Å; K212-E248 WeakPolarHBondContact CE-OE1 3.49Å; K212-E248 WeakPolarHBondContact CE-OE2 3.41Å; K212-E248 IonicContact NZ-OE1 2.78Å; K212-E248 PolarHBondContact NZ-OE1 3.47Å; K212-E248 IonicContact NZ-OE2 3.67Å; K212-E248 PolarHBondContact NZ-OE2 3.05Å
213	M	98.1	Very high	98.3	Very high	71 Å²	71	10.9 Å²	10.9	35%	0.35	5%	0.052	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.1	-34.5	-172.2	-177.3	164.2	72.9	0	0	112.9	V210 D211 N239 C240	V210-M213 PolarHBondContact O-N 3.42Å; D211-M213 HydrophobicContact CB-CB 4.38Å; D211-M213 PolarHBondContact O-N 3.27Å; D211-M213 VanDerWaalsContact O-N 3.08Å; M213-N239 PolarHBondContact O-N 3.45Å; M213-C240 CarbonylContact O-C 3.56Å; M213-C240 PolarHBondContact O-N 2.9Å
214	H	98.8	Very high	98.3	Very high	4 Å²	4	10.9 Å²	10.9	2%	0.019	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	148.1	178.1	-43.1	-83.4	0	0	0	110.5	L117 V210 V237 Y238 N239	L117-H214 HydrophobicContact CD2-CB 3.5Å; V210-H214 HydrophobicContact CB-CB 4.26Å; V210-H214 PolarHBondContact N-O 3.24Å; V210-H214 PolarHBondContact O-N 3.27Å; H214-V237 CarbonylContact C-O 3.52Å; H214-V237 VanDerWaalsContact CA-O 3.25Å; H214-V237 WeakPolarHBondContact CA-O 3.43Å; H214-Y238 HydrophobicContact CB-CD1 4.41Å; H214-Y238 VanDerWaalsContact ND1-CA 3.32Å; H214-Y238 WeakPolarHBondContact ND1-CA 3.36Å; H214-Y238 AromaticContact ND1-CD1 3.49Å; H214-Y238 WeakPolarHBondContact ND1-CD1 3.27Å; H214-Y238 AromaticContact ND1-CG 3.98Å; H214-N239 PolarHBondContact CE1-OD1 3.47Å; H214-N239 VanDerWaalsContact CE1-OD1 3.26Å; H214-N239 PolarHBondContact ND1-N 3.5Å
215	I	98.8	Very high	98.4	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.01	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	148.5	175.3	63.5	163.9	0	0	0	112	W208 V209 V236 V237 L243 A244 L247	W208-I215 WeakPolarHBondContact O-CA 3.29Å; V209-I215 HydrophobicContact CG2-CG2 4.27Å; I215-V236 CarbonylContact O-C 3.38Å; I215-V236 VanDerWaalsContact O-CA 3.23Å; I215-V236 WeakPolarHBondContact O-CA 3.41Å; I215-V236 VanDerWaalsContact O-CG1 3.31Å; I215-V236 WeakPolarHBondContact O-CG1 3.47Å; I215-V237 HydrophobicContact CD1-CB 4.34Å; I215-V237 HydrophobicContact CD1-CG2 4.06Å; I215-V237 HydrophobicContact CG1-CB 3.74Å; I215-V237 HydrophobicContact CG1-CG2 3.89Å; I215-V237 PolarHBondContact N-O 3.42Å; I215-V237 PolarHBondContact O-N 2.91Å; I215-L243 HydrophobicContact CD1-CD2 3.76Å; I215-L243 HydrophobicContact CD1-CG 3.89Å; I215-A244 HydrophobicContact CG2-CB 3.69Å; I215-L247 HydrophobicContact CB-CD2 3.74Å; I215-L247 HydrophobicContact CD1-CD2 3.98Å; I215-L247 HydrophobicContact CG1-CD2 4.48Å; I215-L247 HydrophobicContact CG2-CB 4.28Å; I215-L247 HydrophobicContact CG2-CD2 3.62Å
216	Y	98.9	Very high	98.5	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.9	160	162.1	-98.3	0	0	0	108.3	V92 I110 W114 F207 W208 A220 A235 V236	V92-Y216 HydrophobicContact CG2-CD2 4.33Å; V92-Y216 HydrophobicContact CG2-CE2 4.01Å; I110-Y216 HydrophobicContact CG2-CE2 4.13Å; W114-Y216 AromaticContact CE2-CE1 3.89Å; W114-Y216 HydrophobicContact CZ2-CD1 4.49Å; W114-Y216 AromaticContact CZ2-CE1 3.81Å; W114-Y216 HydrophobicContact CZ2-CE1 3.81Å; W114-Y216 AromaticContact NE1-CD1 3.36Å; W114-Y216 AromaticContact NE1-CD2 3.69Å; W114-Y216 AromaticContact NE1-CE1 3.35Å; W114-Y216 AromaticContact NE1-CE2 3.68Å; W114-Y216 AromaticContact NE1-CG 3.54Å; W114-Y216 AromaticContact NE1-CZ 3.52Å; F207-Y216 CarbonylContact C-O 3.54Å; F207-Y216 WeakPolarHBondContact CA-O 3.38Å; F207-Y216 WeakPolarHBondContact CB-O 3.02Å; W208-Y216 AromaticContact CD1-CD1 3.62Å; W208-Y216 HydrophobicContact CG-CD1 4.28Å; W208-Y216 PolarHBondContact N-O 2.85Å; W208-Y216 PolarHBondContact O-N 3.2Å; Y216-A220 WeakPolarHBondContact OH-CB 3.41Å; Y216-A235 WeakPolarHBondContact CA-O 3.22Å; Y216-V236 HydrophobicContact CD2-CG2 3.76Å; Y216-V236 HydrophobicContact CG-CG2 4.38Å
217	I	98.9	Very high	98.5	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	5%	0.053	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	134.8	170	-175.8	168.7	0	0	0	109.6	F207 G234 A235 T432 L448	F207-I217 HydrophobicContact CB-CB 4.06Å; F207-I217 HydrophobicContact CB-CG1 4.18Å; I217-G234 CarbonylContact O-C 3.51Å; I217-G234 VanDerWaalsContact O-CA 3.24Å; I217-G234 WeakPolarHBondContact O-CA 3.49Å; I217-A235 PolarHBondContact N-O 3.27Å; I217-A235 PolarHBondContact O-N 2.91Å; I217-T432 HydrophobicContact CG1-CG2 4.27Å; I217-L448 HydrophobicContact CD1-CB 4.47Å; I217-L448 HydrophobicContact CG2-CB 3.76Å; I217-L448 HydrophobicContact CG2-CD2 4.06Å
218	G	98.5	Very high	98.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.5	-161.9	-179	0	0	0	0	0	114.1	K206 L233 T432	K206-G218 PolarHBondContact O-N 2.99Å; G218-L233 WeakPolarHBondContact CA-O 3.42Å; G218-T432 WeakPolarHBondContact O-CG2 3.35Å
219	S	98.4	Very high	98.5	Very high	1 Å²	1	11.3 Å²	11.3	1%	0.007	5%	0.054	C	C	.	.	S	Bend	trans	-91	-22	-171.7	59.1	0	0	0	0	115.2	K206 N221 E232 L233 H418	K206-S219 WeakPolarHBondContact CE-O 3.46Å; S219-N221 PolarHBondContact O-N 3.24Å; S219-E232 WeakPolarHBondContact CB-OE2 3.34Å; S219-E232 PolarHBondContact OG-OE2 2.91Å; S219-L233 PolarHBondContact N-O 3.46Å; S219-L233 PolarHBondContact OG-N 3.48Å; S219-L233 PolarHBondContact OG-O 3.16Å; S219-L233 VanDerWaalsContact OG-O 3.06Å; S219-H418 WeakPolarHBondContact CB-O 3.47Å; S219-H418 PolarHBondContact O-CE1 2.87Å; S219-H418 PolarHBondContact O-ND1 2.73Å; S219-H418 PolarHBondContact OG-O 3.01Å
220	A	98.6	Very high	98.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.056	C	C	.	.			trans	-65.9	124.8	-174.9	0	0	0	0	0	112.8	I110 W114 K206 Y216 E232	I110-A220 HydrophobicContact CD1-CB 3.75Å; I110-A220 HydrophobicContact CG2-CB 4.17Å; W114-A220 HydrophobicContact CH2-CB 4.36Å; W114-A220 HydrophobicContact CZ2-CB 4.14Å; K206-A220 VanDerWaalsContact CB-O 3.25Å; K206-A220 WeakPolarHBondContact CB-O 3.24Å; K206-A220 VanDerWaalsContact CG-O 3.3Å; K206-A220 WeakPolarHBondContact CG-O 3.34Å; Y216-A220 WeakPolarHBondContact OH-CB 3.41Å; A220-E232 HydrophobicContact CB-CB 4.11Å; A220-E232 HydrophobicContact CB-CG 3.93Å; A220-E232 PolarHBondContact N-OE2 2.99Å
221	N	98.4	Very high	98.4	Very high	10 Å²	10	11.5 Å²	11.5	5%	0.053	6%	0.055	C	C	.	.			trans	-74.3	167.5	168.4	-67.6	-55.1	0	0	0	110.5	W114 Y131 K206 S219 D223 S226	W114-N221 WeakPolarHBondContact CH2-O 3.35Å; Y131-N221 HydrophobicContact CE1-CB 4Å; Y131-N221 HydrophobicContact CE2-CB 4.37Å; Y131-N221 PolarHBondContact OH-ND2 3.32Å; K206-N221 WeakPolarHBondContact CE-OD1 3.48Å; K206-N221 PolarHBondContact NZ-OD1 2.71Å; S219-N221 PolarHBondContact O-N 3.24Å; N221-D223 HydrophobicContact CB-CB 4.05Å; N221-D223 PolarHBondContact O-N 3.37Å; N221-S226 PolarHBondContact N-OG 3.3Å; N221-S226 WeakPolarHBondContact O-CB 3.35Å; N221-S226 PolarHBondContact O-OG 3.01Å
222	M	98.3	Very high	98.4	Very high	2 Å²	2	10.4 Å²	10.4	1%	0.01	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	63.4	170	-54.5	-58.7	176.7	0	0	109.9	W114 I127 Y131 W132 T133 L134 W208	W114-M222 HydrophobicContact CH2-CE 4.49Å; W114-M222 HydrophobicContact CH2-SD 3.53Å; W114-M222 VanDerWaalsContact CH2-SD 3.53Å; W114-M222 HydrophobicContact CZ2-SD 4.15Å; W114-M222 HydrophobicContact CZ3-SD 3.82Å; I127-M222 HydrophobicContact CG2-CE 3.16Å; Y131-M222 WeakPolarHBondContact O-CB 3.23Å; W132-M222 CarbonylContact C-O 3.12Å; W132-M222 VanDerWaalsContact CA-O 3.29Å; W132-M222 WeakPolarHBondContact CA-O 3.36Å; W132-M222 HydrophobicContact CB-CB 4.46Å; W132-M222 HydrophobicContact CD2-CB 3.5Å; W132-M222 HydrophobicContact CD2-CG 3.82Å; W132-M222 HydrophobicContact CE3-CB 3.68Å; W132-M222 HydrophobicContact CE3-CG 4.13Å; W132-M222 HydrophobicContact CG-CB 3.87Å; W132-M222 HydrophobicContact CG-CG 4.42Å; W132-M222 HydrophobicContact CH2-CB 4.39Å; W132-M222 HydrophobicContact CH2-CG 3.96Å; W132-M222 HydrophobicContact CH2-SD 4.18Å; W132-M222 HydrophobicContact CZ2-CB 4.27Å; W132-M222 HydrophobicContact CZ2-CE 4.4Å; W132-M222 HydrophobicContact CZ2-CG 3.65Å; W132-M222 HydrophobicContact CZ2-SD 4.32Å; W132-M222 HydrophobicContact CZ3-CB 4.12Å; W132-M222 HydrophobicContact CZ3-CG 4.18Å; T133-M222 PolarHBondContact N-O 2.93Å; L134-M222 HydrophobicContact CG-CB 4.47Å; W208-M222 HydrophobicContact CZ2-CE 4.01Å; W208-M222 HydrophobicContact CZ2-SD 4.08Å
223	D	98	Very high	98.5	Very high	4 Å²	4	5.9 Å²	5.9	2%	0.021	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	129.1	-170.4	-176	-32.8	0	0	0	107.7	Y131 T133 N221 R225 S226	Y131-D223 HydrophobicContact CE2-CB 3.81Å; Y131-D223 WeakPolarHBondContact CE2-OD2 3.44Å; Y131-D223 PolarHBondContact OH-OD2 3.39Å; T133-D223 WeakPolarHBondContact O-CA 3.32Å; T133-D223 VanDerWaalsContact OG1-CG 3.23Å; T133-D223 PolarHBondContact OG1-OD2 3.49Å; N221-D223 HydrophobicContact CB-CB 4.05Å; N221-D223 PolarHBondContact O-N 3.37Å; D223-R225 PolarHBondContact O-N 3.48Å; D223-R225 VanDerWaalsContact OD1-CB 3.23Å; D223-R225 WeakPolarHBondContact OD1-CB 3.48Å; D223-R225 IonicContact OD1-CZ 3.18Å; D223-R225 PolarHBondContact OD1-N 3.07Å; D223-R225 IonicContact OD1-NE 2.74Å; D223-R225 PolarHBondContact OD1-NE 2.95Å; D223-R225 IonicContact OD1-NH2 2.81Å; D223-R225 PolarHBondContact OD1-NH2 3.48Å; D223-R225 IonicContact OD2-CZ 3.34Å; D223-R225 IonicContact OD2-NE 2.76Å; D223-R225 PolarHBondContact OD2-NE 2.92Å; D223-R225 VanDerWaalsContact OD2-NE 3.1Å; D223-R225 IonicContact OD2-NH2 3Å; D223-R225 PolarHBondContact OD2-NH2 3.16Å; D223-S226 WeakPolarHBondContact O-CA 3.44Å; D223-S226 VanDerWaalsContact O-CB 3.23Å; D223-S226 WeakPolarHBondContact O-CB 3.43Å; D223-S226 PolarHBondContact O-N 3.43Å
224	W	98.4	Very high	98.5	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-58.5	-32.5	-179.5	70.1	-99	0	0	0	111.9	T133 T135 E143 S145 A146 S226 L227 T228 Q229 I411	T133-W224 PolarHBondContact O-N 3.1Å; T135-W224 PolarHBondContact O-NE1 2.83Å; E143-W224 HydrophobicContact CB-CH2 3.77Å; E143-W224 HydrophobicContact CB-CZ2 4.22Å; E143-W224 HydrophobicContact CB-CZ3 4.34Å; E143-W224 HydrophobicContact CG-CH2 3.93Å; E143-W224 HydrophobicContact CG-CZ2 4.27Å; S145-W224 WeakPolarHBondContact OG-CZ3 3.34Å; A146-W224 HydrophobicContact CB-CB 4.1Å; A146-W224 HydrophobicContact CB-CD2 3.63Å; A146-W224 HydrophobicContact CB-CE3 3.89Å; A146-W224 HydrophobicContact CB-CG 3.73Å; W224-S226 VanDerWaalsContact C-N 3.25Å; W224-S226 PolarHBondContact O-N 3.31Å; W224-L227 WeakPolarHBondContact O-CB 3.21Å; W224-L227 PolarHBondContact O-N 3.24Å; W224-T228 PolarHBondContact O-N 3.3Å; W224-T228 PolarHBondContact O-OG1 2.88Å; W224-Q229 HydrophobicContact CE3-CG 4.41Å; W224-Q229 HydrophobicContact CH2-CG 4.23Å; W224-Q229 HydrophobicContact CZ3-CG 3.59Å; W224-I411 HydrophobicContact CH2-CD1 4.24Å; W224-I411 HydrophobicContact CH2-CG2 3.62Å; W224-I411 HydrophobicContact CZ2-CG2 3.96Å
225	R	98.3	Very high	98.5	Very high	7 Å²	7	2.3 Å²	2.3	3%	0.026	1%	0.012	C	C	.	.	H	α-helix	trans	-63.8	-32.5	175.1	-63.2	163.2	-73.7	-129.7	-3.8	111.1	T133 D138 D223 L227 T228 Q229 V230 I411 P412	T133-R225 PolarHBondContact OG1-NH2 2.77Å; D138-R225 IonicContact OD1-NH1 3.33Å; D138-R225 IonicContact OD2-CZ 3.77Å; D138-R225 IonicContact OD2-NH1 2.84Å; D138-R225 PolarHBondContact OD2-NH1 2.99Å; D138-R225 IonicContact OD2-NH2 2.73Å; D138-R225 PolarHBondContact OD2-NH2 3.09Å; D223-R225 PolarHBondContact O-N 3.48Å; D223-R225 VanDerWaalsContact OD1-CB 3.23Å; D223-R225 WeakPolarHBondContact OD1-CB 3.48Å; D223-R225 IonicContact OD1-CZ 3.18Å; D223-R225 PolarHBondContact OD1-N 3.07Å; D223-R225 IonicContact OD1-NE 2.74Å; D223-R225 PolarHBondContact OD1-NE 2.95Å; D223-R225 IonicContact OD1-NH2 2.81Å; D223-R225 PolarHBondContact OD1-NH2 3.48Å; D223-R225 IonicContact OD2-CZ 3.34Å; D223-R225 IonicContact OD2-NE 2.76Å; D223-R225 PolarHBondContact OD2-NE 2.92Å; D223-R225 VanDerWaalsContact OD2-NE 3.1Å; D223-R225 IonicContact OD2-NH2 3Å; D223-R225 PolarHBondContact OD2-NH2 3.16Å; R225-L227 PolarHBondContact O-N 2.83Å; R225-T228 PolarHBondContact O-N 2.89Å; R225-Q229 HydrophobicContact CB-CB 4.12Å; R225-Q229 HydrophobicContact CG-CB 4.46Å; R225-Q229 CarbonylContact O-C 3.51Å; R225-Q229 WeakPolarHBondContact O-CA 3.49Å; R225-Q229 PolarHBondContact O-N 2.92Å; R225-V230 HydrophobicContact CB-CG2 4.08Å; R225-V230 WeakPolarHBondContact O-CB 3.41Å; R225-V230 WeakPolarHBondContact O-CG2 3.41Å; R225-V230 PolarHBondContact O-N 3.07Å; R225-I411 HydrophobicContact CG-CG2 4.11Å; R225-P412 VanDerWaalsContact CD-O 3.23Å; R225-P412 WeakPolarHBondContact CD-O 3.33Å
226	S	98.5	Very high	98.5	Very high	2 Å²	2	2.2 Å²	2.2	1%	0.014	1%	0.012	C	C	.	.	H	α-helix	trans	-64.3	-20.3	174.8	-60.4	0	0	0	0	112.8	S94 N221 D223 W224 E232	S94-S226 WeakPolarHBondContact CB-O 3.41Å; S94-S226 PolarHBondContact OG-O 2.91Å; N221-S226 PolarHBondContact N-OG 3.3Å; N221-S226 WeakPolarHBondContact O-CB 3.35Å; N221-S226 PolarHBondContact O-OG 3.01Å; D223-S226 WeakPolarHBondContact O-CA 3.44Å; D223-S226 VanDerWaalsContact O-CB 3.23Å; D223-S226 WeakPolarHBondContact O-CB 3.43Å; D223-S226 PolarHBondContact O-N 3.43Å; W224-S226 VanDerWaalsContact C-N 3.25Å; W224-S226 PolarHBondContact O-N 3.31Å; S226-E232 WeakPolarHBondContact O-CG 3.5Å
227	L	98.6	Very high	98.5	Very high	6 Å²	6	2.3 Å²	2.3	3%	0.031	1%	0.012	C	C	.	.	H	α-helix	trans	-93.4	-29.6	-180	-57.7	-178.6	0	0	0	112.9	I110 F111 W114 Q148 V152 W224 R225	I110-L227 HydrophobicContact CB-CD2 4.26Å; I110-L227 HydrophobicContact CG2-CD2 3.94Å; F111-L227 HydrophobicContact CB-CD1 4.44Å; F111-L227 HydrophobicContact CB-CD2 4.32Å; F111-L227 HydrophobicContact CD2-CD1 4.32Å; W114-L227 HydrophobicContact CE3-CD1 4.41Å; W114-L227 HydrophobicContact CE3-CD2 3.95Å; W114-L227 HydrophobicContact CH2-CD2 4.22Å; W114-L227 HydrophobicContact CZ3-CD1 4.28Å; W114-L227 HydrophobicContact CZ3-CD2 3.78Å; W114-L227 HydrophobicContact CZ3-CG 4.38Å; Q148-L227 HydrophobicContact CB-CB 4.24Å; Q148-L227 HydrophobicContact CB-CD1 4.21Å; V152-L227 HydrophobicContact CG2-CD1 4.03Å; W224-L227 WeakPolarHBondContact O-CB 3.21Å; W224-L227 PolarHBondContact O-N 3.24Å; R225-L227 PolarHBondContact O-N 2.83Å
228	T	98.2	Very high	98.5	Very high	5 Å²	5	2.8 Å²	2.8	3%	0.031	1%	0.014	C	C	.	.	H	α-helix	trans	-130.4	-20.4	-171.1	58.9	0	0	0	0	115.8	P96 E97 S145 Q148 W224 R225	P96-T228 CarbonylContact C-O 3.51Å; P96-T228 WeakPolarHBondContact CA-O 3.37Å; E97-T228 PolarHBondContact N-O 2.75Å; S145-T228 WeakPolarHBondContact O-CB 3.28Å; S145-T228 WeakPolarHBondContact O-CG2 3.49Å; S145-T228 PolarHBondContact O-OG1 2.87Å; Q148-T228 HydrophobicContact CB-CG2 4.04Å; Q148-T228 VanDerWaalsContact CD-CG2 3.47Å; Q148-T228 HydrophobicContact CG-CG2 3.93Å; W224-T228 PolarHBondContact O-N 3.3Å; W224-T228 PolarHBondContact O-OG1 2.88Å; R225-T228 PolarHBondContact O-N 2.89Å
229	Q	98.3	Very high	98.4	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.005	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-13.3	-170.6	-60.1	-56.1	-34.5	0	0	115	E97 S145 W224 R225 I411 A414 R415	E97-Q229 VanDerWaalsContact CD-NE2 3.26Å; E97-Q229 PolarHBondContact OE2-NE2 3.45Å; S145-Q229 VanDerWaalsContact CB-NE2 3.27Å; S145-Q229 PolarHBondContact OG-NE2 3.27Å; S145-Q229 VanDerWaalsContact OG-NE2 3.08Å; W224-Q229 HydrophobicContact CE3-CG 4.41Å; W224-Q229 HydrophobicContact CH2-CG 4.23Å; W224-Q229 HydrophobicContact CZ3-CG 3.59Å; R225-Q229 HydrophobicContact CB-CB 4.12Å; R225-Q229 HydrophobicContact CG-CB 4.46Å; R225-Q229 CarbonylContact O-C 3.51Å; R225-Q229 WeakPolarHBondContact O-CA 3.49Å; R225-Q229 PolarHBondContact O-N 2.92Å; Q229-I411 HydrophobicContact CG-CD1 4.21Å; Q229-A414 HydrophobicContact CB-CB 3.88Å; Q229-R415 PolarHBondContact O-N 3.14Å; Q229-R415 VanDerWaalsContact O-N 3.07Å
230	V	98.6	Very high	98.4	Very high	6 Å²	6	6.3 Å²	6.3	4%	0.036	3%	0.033	C	C	.	.	S	Bend	trans	-116.5	138.4	-178	177.6	0	0	0	0	108.7	S94 R225 E232 V416 H418	S94-V230 WeakPolarHBondContact CB-O 3.45Å; R225-V230 HydrophobicContact CB-CG2 4.08Å; R225-V230 WeakPolarHBondContact O-CB 3.41Å; R225-V230 WeakPolarHBondContact O-CG2 3.41Å; R225-V230 PolarHBondContact O-N 3.07Å; V230-E232 HydrophobicContact CB-CG 4.27Å; V230-E232 HydrophobicContact CG1-CG 3.89Å; V230-E232 VanDerWaalsContact CG1-OE1 3.3Å; V230-E232 WeakPolarHBondContact CG1-OE1 3.21Å; V230-E232 PolarHBondContact O-N 3.21Å; V230-V416 HydrophobicContact CB-CG1 4.44Å; V230-V416 HydrophobicContact CG1-CG1 3.71Å; V230-V416 WeakPolarHBondContact CG1-O 3.14Å; V230-V416 HydrophobicContact CG2-CG1 4.04Å; V230-H418 HydrophobicContact CG1-CB 3.38Å
231	K	98.6	Very high	98.4	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.048	C	C	.	.	B	Isolated β-bridge	trans	-80.7	113	174.5	178.6	154.8	175.9	55.6	0	108.6	E93 S94 I95 P96 M99 F101 F400 V416 H418 R470 D471	E93-K231 IonicContact OE1-NZ 3.95Å; E93-K231 PolarHBondContact OE1-NZ 2.8Å; S94-K231 WeakPolarHBondContact O-CA 3.38Å; I95-K231 HydrophobicContact CD1-CD 4.42Å; I95-K231 VanDerWaalsContact CD1-NZ 3.26Å; P96-K231 HydrophobicContact CG-CB 3.85Å; M99-K231 HydrophobicContact SD-CD 4.34Å; F101-K231 HydrophobicContact CZ-CD 4.5Å; K231-F400 HydrophobicContact CD-CE1 4.02Å; K231-F400 HydrophobicContact CD-CZ 3.95Å; K231-V416 PolarHBondContact N-O 2.85Å; K231-H418 WeakPolarHBondContact O-CA 3.13Å; K231-H418 PolarHBondContact O-N 3.23Å; K231-R470 VanDerWaalsContact NZ-NH2 3.15Å; K231-D471 VanDerWaalsContact CE-CG 3.47Å; K231-D471 WeakPolarHBondContact CE-OD2 3.04Å; K231-D471 IonicContact NZ-OD1 3.37Å; K231-D471 IonicContact NZ-OD2 3.5Å; K231-D471 PolarHBondContact NZ-OD2 2.97Å
232	E	98.7	Very high	98.3	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	157.4	-175.5	-61.8	-72.3	-172	0	0	110.3	E93 S94 I110 S219 A220 S226 V230 H418 N419	E93-E232 VanDerWaalsContact CA-O 3.3Å; E93-E232 WeakPolarHBondContact CA-O 3.32Å; S94-E232 PolarHBondContact N-O 3.09Å; S94-E232 PolarHBondContact O-N 3.06Å; S94-E232 VanDerWaalsContact O-N 3.15Å; I110-E232 HydrophobicContact CD1-CB 3.53Å; S219-E232 WeakPolarHBondContact CB-OE2 3.34Å; S219-E232 PolarHBondContact OG-OE2 2.91Å; A220-E232 HydrophobicContact CB-CB 4.11Å; A220-E232 HydrophobicContact CB-CG 3.93Å; A220-E232 PolarHBondContact N-OE2 2.99Å; S226-E232 WeakPolarHBondContact O-CG 3.5Å; V230-E232 HydrophobicContact CB-CG 4.27Å; V230-E232 HydrophobicContact CG1-CG 3.89Å; V230-E232 VanDerWaalsContact CG1-OE1 3.3Å; V230-E232 WeakPolarHBondContact CG1-OE1 3.21Å; V230-E232 PolarHBondContact O-N 3.21Å; E232-H418 WeakPolarHBondContact OE1-CB 3.31Å; E232-H418 IonicContact OE1-CE1 3.72Å; E232-H418 IonicContact OE1-CG 3.45Å; E232-H418 IonicContact OE1-ND1 3.26Å; E232-H418 PolarHBondContact OE1-ND1 3.42Å; E232-H418 WeakPolarHBondContact OE2-CB 3.37Å; E232-H418 IonicContact OE2-CG 3.42Å; E232-H418 IonicContact OE2-ND1 2.74Å; E232-H418 PolarHBondContact OE2-ND1 2.97Å; E232-N419 WeakPolarHBondContact CA-OD1 3.13Å
233	L	98.7	Very high	98.3	Very high	2 Å²	2	9.3 Å²	9.3	1%	0.01	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	144.5	174.4	-174.6	138.3	0	0	0	110.7	V92 E93 G218 S219 N419 Y421 I430 L464 V467	V92-L233 WeakPolarHBondContact O-CA 3.39Å; E93-L233 HydrophobicContact CG-CD1 4.04Å; E93-L233 HydrophobicContact CG-CG 4.44Å; G218-L233 WeakPolarHBondContact CA-O 3.42Å; S219-L233 PolarHBondContact N-O 3.46Å; S219-L233 PolarHBondContact OG-N 3.48Å; S219-L233 PolarHBondContact OG-O 3.16Å; S219-L233 VanDerWaalsContact OG-O 3.06Å; L233-N419 WeakPolarHBondContact CB-OD1 3.41Å; L233-N419 PolarHBondContact N-OD1 2.84Å; L233-N419 VanDerWaalsContact N-OD1 3.15Å; L233-Y421 HydrophobicContact CB-CD1 4.33Å; L233-Y421 HydrophobicContact CD1-CD1 4.03Å; L233-Y421 HydrophobicContact CD1-CE1 3.86Å; L233-Y421 HydrophobicContact CD2-CD1 3.8Å; L233-Y421 HydrophobicContact CD2-CE1 4.47Å; L233-Y421 HydrophobicContact CD2-CG 4.23Å; L233-Y421 HydrophobicContact CG-CD1 4.27Å; L233-I430 HydrophobicContact CD2-CD1 4.49Å; L233-I430 HydrophobicContact CD2-CG1 4.34Å; L233-I430 HydrophobicContact CD2-CG2 4.18Å; L233-L464 HydrophobicContact CD1-CD1 3.7Å; L233-L464 HydrophobicContact CD2-CD1 3.82Å; L233-L464 HydrophobicContact CG-CD1 4.44Å; L233-V467 HydrophobicContact CD1-CG1 3.79Å
234	G	98.6	Very high	98.3	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	-173.4	172.6	0	0	0	0	0	112.2	V92 I217	V92-G234 WeakPolarHBondContact CG2-O 3.23Å; V92-G234 PolarHBondContact N-O 2.75Å; V92-G234 PolarHBondContact O-N 3.33Å; I217-G234 CarbonylContact O-C 3.51Å; I217-G234 VanDerWaalsContact O-CA 3.24Å; I217-G234 WeakPolarHBondContact O-CA 3.49Å
235	A	98.8	Very high	98.3	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	143.7	170.8	0	0	0	0	0	110.4	I89 V90 L91 Y216 I217 I430 L448	I89-A235 HydrophobicContact CD1-CB 4.29Å; I89-A235 HydrophobicContact CG1-CB 4.37Å; V90-A235 WeakPolarHBondContact O-CA 3.41Å; L91-A235 HydrophobicContact CD2-CB 4.45Å; Y216-A235 WeakPolarHBondContact CA-O 3.22Å; I217-A235 PolarHBondContact N-O 3.27Å; I217-A235 PolarHBondContact O-N 2.91Å; A235-I430 HydrophobicContact CB-CD1 3.82Å; A235-L448 HydrophobicContact CB-CD2 4.03Å
236	V	98.7	Very high	98.3	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	134.2	164.5	-176.4	0	0	0	0	109.1	I89 V90 V92 A113 L117 I215 Y216 Y238	I89-V236 CarbonylContact C-O 3.6Å; I89-V236 WeakPolarHBondContact CA-O 3.06Å; V90-V236 PolarHBondContact N-O 2.94Å; V90-V236 PolarHBondContact O-N 2.83Å; V92-V236 HydrophobicContact CG1-CG2 4.32Å; V92-V236 HydrophobicContact CG2-CG2 4.35Å; A113-V236 HydrophobicContact CB-CG2 3.74Å; L117-V236 HydrophobicContact CD1-CG1 4.14Å; L117-V236 HydrophobicContact CD1-CG2 4.34Å; L117-V236 HydrophobicContact CD2-CG1 3.94Å; L117-V236 HydrophobicContact CG-CG1 4.13Å; I215-V236 CarbonylContact O-C 3.38Å; I215-V236 VanDerWaalsContact O-CA 3.23Å; I215-V236 WeakPolarHBondContact O-CA 3.41Å; I215-V236 VanDerWaalsContact O-CG1 3.31Å; I215-V236 WeakPolarHBondContact O-CG1 3.47Å; Y216-V236 HydrophobicContact CD2-CG2 3.76Å; Y216-V236 HydrophobicContact CG-CG2 4.38Å; V236-Y238 HydrophobicContact CB-CE2 4.03Å; V236-Y238 HydrophobicContact CG1-CD1 4.23Å; V236-Y238 HydrophobicContact CG1-CD2 4.01Å; V236-Y238 HydrophobicContact CG1-CE1 3.71Å; V236-Y238 HydrophobicContact CG1-CE2 3.47Å; V236-Y238 VanDerWaalsContact CG1-CE2 3.47Å; V236-Y238 HydrophobicContact CG1-CG 4.36Å
237	V	98.6	Very high	98.3	Very high	1 Å²	1	11 Å²	11	1%	0.006	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	122.3	173.4	-164.1	0	0	0	0	108.5	C87 K88 I89 H214 I215 C240 L243 L285 L448	C87-V237 HydrophobicContact CB-CG1 4.21Å; K88-V237 CarbonylContact O-C 3.23Å; K88-V237 WeakPolarHBondContact O-CA 3.39Å; I89-V237 HydrophobicContact CB-CG1 4.47Å; I89-V237 HydrophobicContact CB-CG2 4.26Å; I89-V237 HydrophobicContact CD1-CG2 3.96Å; I89-V237 HydrophobicContact CG1-CG2 4.01Å; H214-V237 CarbonylContact C-O 3.52Å; H214-V237 VanDerWaalsContact CA-O 3.25Å; H214-V237 WeakPolarHBondContact CA-O 3.43Å; I215-V237 HydrophobicContact CD1-CB 4.34Å; I215-V237 HydrophobicContact CD1-CG2 4.06Å; I215-V237 HydrophobicContact CG1-CB 3.74Å; I215-V237 HydrophobicContact CG1-CG2 3.89Å; I215-V237 PolarHBondContact N-O 3.42Å; I215-V237 PolarHBondContact O-N 2.91Å; V237-C240 HydrophobicContact CB-CB 4.49Å; V237-C240 HydrophobicContact CG1-CB 3.57Å; V237-L243 HydrophobicContact CB-CD2 4.44Å; V237-L243 HydrophobicContact CG1-CD2 4.32Å; V237-L243 HydrophobicContact CG2-CD2 4.13Å; V237-L285 HydrophobicContact CG1-CD2 4.13Å; V237-L448 HydrophobicContact CG2-CD2 4.43Å
238	Y	98.5	Very high	98.3	Very high	10 Å²	10	11.7 Å²	11.7	4%	0.039	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	151.8	178.8	-58.2	-85.6	0	0	0	111.3	C87 K88 V90 R116 L117 H214 V236 C240	C87-Y238 WeakPolarHBondContact CA-O 3.21Å; K88-Y238 PolarHBondContact N-O 2.82Å; K88-Y238 PolarHBondContact O-N 2.92Å; V90-Y238 HydrophobicContact CG2-CD2 4.49Å; V90-Y238 HydrophobicContact CG2-CE2 4.2Å; R116-Y238 WeakPolarHBondContact CD-OH 3.46Å; R116-Y238 HydrophobicContact CG-CE1 4.18Å; L117-Y238 HydrophobicContact CD2-CD1 4.44Å; L117-Y238 HydrophobicContact CD2-CE1 3.97Å; L117-Y238 HydrophobicContact CG-CE1 4.42Å; H214-Y238 HydrophobicContact CB-CD1 4.41Å; H214-Y238 VanDerWaalsContact ND1-CA 3.32Å; H214-Y238 WeakPolarHBondContact ND1-CA 3.36Å; H214-Y238 AromaticContact ND1-CD1 3.49Å; H214-Y238 WeakPolarHBondContact ND1-CD1 3.27Å; H214-Y238 AromaticContact ND1-CG 3.98Å; V236-Y238 HydrophobicContact CB-CE2 4.03Å; V236-Y238 HydrophobicContact CG1-CD1 4.23Å; V236-Y238 HydrophobicContact CG1-CD2 4.01Å; V236-Y238 HydrophobicContact CG1-CE1 3.71Å; V236-Y238 HydrophobicContact CG1-CE2 3.47Å; V236-Y238 VanDerWaalsContact CG1-CE2 3.47Å; V236-Y238 HydrophobicContact CG1-CG 4.36Å; Y238-C240 VanDerWaalsContact C-N 3.29Å; Y238-C240 PolarHBondContact O-N 3.26Å
239	N	97.8	Very high	98.3	Very high	75 Å²	75	14.5 Å²	14.5	40%	0.401	8%	0.083	S	C	.	.	S	Bend	trans	54.6	43.9	174	-55.2	-24	0	0	0	112.4	P86 M213 H214	P86-N239 HydrophobicContact CG-CB 4.47Å; M213-N239 PolarHBondContact O-N 3.45Å; H214-N239 PolarHBondContact CE1-OD1 3.47Å; H214-N239 VanDerWaalsContact CE1-OD1 3.26Å; H214-N239 PolarHBondContact ND1-N 3.5Å
240	C	97.8	Very high	98.3	Very high	1 Å²	1	15 Å²	15	1%	0.007	9%	0.085	C	C	.	.			trans	-133.7	66.6	-171.7	-151.8	0	0	0	0	110.3	C87 M213 V237 Y238 C242 L243 A244	C87-C240 HydrophobicContact CB-CB 3.64Å; C87-C240 WeakPolarHBondContact CB-SG 3.45Å; C87-C240 WeakPolarHBondContact SG-CA 3.16Å; C87-C240 WeakPolarHBondContact SG-CB 3.36Å; C87-C240 CovalentContact SG-SG 2.04Å; C87-C240 PolarHBondContact SG-SG 3.35Å; M213-C240 CarbonylContact O-C 3.56Å; M213-C240 PolarHBondContact O-N 2.9Å; V237-C240 HydrophobicContact CB-CB 4.49Å; V237-C240 HydrophobicContact CG1-CB 3.57Å; Y238-C240 VanDerWaalsContact C-N 3.29Å; Y238-C240 PolarHBondContact O-N 3.26Å; C240-C242 VanDerWaalsContact C-N 3.33Å; C240-C242 PolarHBondContact O-N 3.34Å; C240-L243 HydrophobicContact CB-CB 4.41Å; C240-L243 PolarHBondContact O-N 2.98Å; C240-A244 VanDerWaalsContact O-CB 3.28Å; C240-A244 WeakPolarHBondContact O-CB 3.45Å; C240-A244 PolarHBondContact O-N 3.26Å
241	S	97.4	Very high	98.3	Very high	46 Å²	46	14.7 Å²	14.7	32%	0.322	8%	0.083	S	C	.	.	H	α-helix	trans	-59.9	-37.2	-175.4	72.6	0	0	0	0	113.5	D85 K212 A244 S245	D85-S241 PolarHBondContact OD1-OG 2.93Å; D85-S241 VanDerWaalsContact OD2-CA 3.31Å; D85-S241 WeakPolarHBondContact OD2-CA 3.48Å; D85-S241 WeakPolarHBondContact OD2-CB 3.32Å; D85-S241 PolarHBondContact OD2-N 2.61Å; D85-S241 PolarHBondContact OD2-OG 3.49Å; K212-S241 VanDerWaalsContact O-CA 3.32Å; K212-S241 WeakPolarHBondContact O-CA 3.34Å; S241-A244 PolarHBondContact O-N 3.27Å; S241-S245 WeakPolarHBondContact O-CB 3.11Å; S241-S245 PolarHBondContact O-N 2.86Å; S241-S245 PolarHBondContact O-OG 3.27Å
242	C	96.9	Very high	98.3	Very high	27 Å²	27	17.2 Å²	17.2	18%	0.182	10%	0.095	C	C	.	.	H	α-helix	trans	-65.8	-44.7	178.4	-49.4	0	0	0	0	112.1	C83 D85 C240 D246 L281	C83-C242 HydrophobicContact CB-CB 3.79Å; C83-C242 WeakPolarHBondContact CB-SG 3.29Å; C83-C242 WeakPolarHBondContact SG-CB 3.38Å; C83-C242 CovalentContact SG-SG 2.02Å; C83-C242 PolarHBondContact SG-SG 2.94Å; D85-C242 PolarHBondContact OD2-N 3.49Å; D85-C242 PolarHBondContact OD2-SG 3.06Å; D85-C242 VanDerWaalsContact OD2-SG 3.4Å; C240-C242 VanDerWaalsContact C-N 3.33Å; C240-C242 PolarHBondContact O-N 3.34Å; C242-D246 PolarHBondContact O-N 2.79Å; C242-D246 VanDerWaalsContact O-N 3.07Å; C242-L281 HydrophobicContact CB-CD1 4.44Å; C242-L281 HydrophobicContact CB-CD2 4.01Å
243	L	97.9	Very high	98.3	Very high	2 Å²	2	17.4 Å²	17.4	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-70.3	-39.7	178.3	-176.4	62.3	0	0	0	111.1	I215 V237 C240 D246 L247 L281 V292 L294 L448	I215-L243 HydrophobicContact CD1-CD2 3.76Å; I215-L243 HydrophobicContact CD1-CG 3.89Å; V237-L243 HydrophobicContact CB-CD2 4.44Å; V237-L243 HydrophobicContact CG1-CD2 4.32Å; V237-L243 HydrophobicContact CG2-CD2 4.13Å; C240-L243 HydrophobicContact CB-CB 4.41Å; C240-L243 PolarHBondContact O-N 2.98Å; L243-D246 PolarHBondContact O-N 2.84Å; L243-L247 PolarHBondContact O-N 2.91Å; L243-L281 HydrophobicContact CB-CD2 4.19Å; L243-L281 HydrophobicContact CD1-CD2 4.49Å; L243-V292 HydrophobicContact CD1-CG1 3.91Å; L243-V292 HydrophobicContact CD2-CG1 4.05Å; L243-L294 HydrophobicContact CD1-CD1 3.87Å; L243-L294 HydrophobicContact CD1-CD2 4.5Å; L243-L294 HydrophobicContact CD1-CG 3.97Å; L243-L448 HydrophobicContact CD2-CD1 4.2Å
244	A	98.5	Very high	98.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-63.7	-41.9	175.6	0	0	0	0	0	112.1	V209 K212 I215 C240 S241 D246 L247 E248	V209-A244 HydrophobicContact CG1-CB 4.36Å; K212-A244 WeakPolarHBondContact O-CB 3.35Å; I215-A244 HydrophobicContact CG2-CB 3.69Å; C240-A244 VanDerWaalsContact O-CB 3.28Å; C240-A244 WeakPolarHBondContact O-CB 3.45Å; C240-A244 PolarHBondContact O-N 3.26Å; S241-A244 PolarHBondContact O-N 3.27Å; A244-D246 VanDerWaalsContact C-N 3.28Å; A244-D246 PolarHBondContact O-N 3.36Å; A244-L247 PolarHBondContact O-N 3.02Å; A244-E248 WeakPolarHBondContact O-CB 3.06Å; A244-E248 PolarHBondContact O-N 3.26Å
245	S	97.8	Very high	98.2	Very high	46 Å²	46	18.8 Å²	18.8	32%	0.322	10%	0.102	S	C	.	.	H	α-helix	trans	-63.8	-33.9	174.2	-59.5	0	0	0	0	111.9	S241 K249	S241-S245 WeakPolarHBondContact O-CB 3.11Å; S241-S245 PolarHBondContact O-N 2.86Å; S241-S245 PolarHBondContact O-OG 3.27Å; S245-K249 PolarHBondContact O-N 3.02Å
246	D	98.4	Very high	98.2	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.011	12%	0.122	C	C	.	.	H	α-helix	trans	-72.1	-38.7	175.2	-167.2	52	0	0	0	112.6	C242 L243 A244 K249 T273 Y275 L294 R306	C242-D246 PolarHBondContact O-N 2.79Å; C242-D246 VanDerWaalsContact O-N 3.07Å; L243-D246 PolarHBondContact O-N 2.84Å; A244-D246 VanDerWaalsContact C-N 3.28Å; A244-D246 PolarHBondContact O-N 3.36Å; D246-K249 PolarHBondContact O-N 3.4Å; D246-T273 WeakPolarHBondContact OD1-CB 3.5Å; D246-T273 PolarHBondContact OD1-OG1 3.45Å; D246-Y275 HydrophobicContact CB-CD2 4.13Å; D246-L294 HydrophobicContact CB-CD1 4.34Å; D246-R306 PolarHBondContact O-NH2 2.88Å; D246-R306 VanDerWaalsContact O-NH2 3.12Å; D246-R306 IonicContact OD1-CZ 3.01Å; D246-R306 IonicContact OD1-NH1 3.28Å; D246-R306 IonicContact OD1-NH2 3.77Å; D246-R306 PolarHBondContact OD1-NH2 2.8Å; D246-R306 IonicContact OD2-CZ 2.7Å; D246-R306 VanDerWaalsContact OD2-CZ 3.28Å; D246-R306 IonicContact OD2-NH1 2.87Å; D246-R306 PolarHBondContact OD2-NH1 2.85Å; D246-R306 IonicContact OD2-NH2 3.77Å; D246-R306 PolarHBondContact OD2-NH2 3.01Å
247	L	98.8	Very high	98.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-68	-36.2	173.2	-171.8	57.9	0	0	0	111.8	F207 V209 I215 L243 A244 K249 I250 F251 L294	F207-L247 HydrophobicContact CB-CD2 4.15Å; F207-L247 HydrophobicContact CD1-CD1 3.64Å; F207-L247 HydrophobicContact CD1-CD2 4.39Å; F207-L247 HydrophobicContact CD1-CG 4.28Å; F207-L247 HydrophobicContact CD2-CD1 4.24Å; F207-L247 HydrophobicContact CD2-CD2 3.84Å; F207-L247 HydrophobicContact CD2-CG 3.97Å; F207-L247 HydrophobicContact CE1-CD1 3.64Å; F207-L247 HydrophobicContact CE1-CG 4.29Å; F207-L247 HydrophobicContact CE2-CD1 4.27Å; F207-L247 HydrophobicContact CE2-CD2 4.38Å; F207-L247 HydrophobicContact CE2-CG 4.02Å; F207-L247 HydrophobicContact CG-CD1 4.01Å; F207-L247 HydrophobicContact CG-CD2 3.91Å; F207-L247 HydrophobicContact CG-CG 4.18Å; F207-L247 HydrophobicContact CZ-CD1 4Å; F207-L247 HydrophobicContact CZ-CG 4.2Å; V209-L247 HydrophobicContact CG2-CB 4.12Å; V209-L247 HydrophobicContact CG2-CD2 3.86Å; V209-L247 HydrophobicContact CG2-CG 3.81Å; I215-L247 HydrophobicContact CB-CD2 3.74Å; I215-L247 HydrophobicContact CD1-CD2 3.98Å; I215-L247 HydrophobicContact CG1-CD2 4.48Å; I215-L247 HydrophobicContact CG2-CB 4.28Å; I215-L247 HydrophobicContact CG2-CD2 3.62Å; L243-L247 PolarHBondContact O-N 2.91Å; A244-L247 PolarHBondContact O-N 3.02Å; L247-K249 PolarHBondContact O-N 3.24Å; L247-I250 HydrophobicContact CD1-CD1 4.01Å; L247-I250 WeakPolarHBondContact O-CA 3.42Å; L247-I250 WeakPolarHBondContact O-CB 3.39Å; L247-I250 PolarHBondContact O-N 3.34Å; L247-F251 PolarHBondContact O-N 2.93Å; L247-F251 VanDerWaalsContact O-N 3.13Å; L247-L294 HydrophobicContact CB-CD1 3.6Å; L247-L294 HydrophobicContact CD1-CD1 3.9Å; L247-L294 HydrophobicContact CD1-CD2 4.29Å; L247-L294 HydrophobicContact CG-CD1 4.3Å
248	E	98.5	Very high	97.8	Very high	21 Å²	21	23.1 Å²	23.1	10%	0.098	13%	0.127	C	C	.	.	H	α-helix	trans	-57.1	-36.7	175.9	-176.9	-179	-138.7	0	0	111.4	V209 K212 A244 I250 F251 E252	V209-E248 HydrophobicContact CG1-CB 4.45Å; K212-E248 WeakPolarHBondContact CD-OE2 3.49Å; K212-E248 WeakPolarHBondContact CE-OE1 3.49Å; K212-E248 WeakPolarHBondContact CE-OE2 3.41Å; K212-E248 IonicContact NZ-OE1 2.78Å; K212-E248 PolarHBondContact NZ-OE1 3.47Å; K212-E248 IonicContact NZ-OE2 3.67Å; K212-E248 PolarHBondContact NZ-OE2 3.05Å; A244-E248 WeakPolarHBondContact O-CB 3.06Å; A244-E248 PolarHBondContact O-N 3.26Å; E248-I250 PolarHBondContact O-N 2.71Å; E248-F251 CarbonylContact O-C 3.43Å; E248-F251 WeakPolarHBondContact O-CA 3.26Å; E248-F251 WeakPolarHBondContact O-CB 3.41Å; E248-F251 PolarHBondContact O-N 2.81Å; E248-E252 HydrophobicContact CG-CG 4.05Å; E248-E252 WeakPolarHBondContact O-CB 3.24Å; E248-E252 WeakPolarHBondContact O-CG 3.21Å; E248-E252 PolarHBondContact O-N 2.73Å
249	K	98.6	Very high	97	Very high	64 Å²	64	26.6 Å²	26.6	28%	0.278	17%	0.166	S	C	.	.	H	α-helix	trans	-58.1	-35.4	174.7	-66.7	171.5	-177.8	177.8	0	112.6	S245 D246 L247 A253 S272	S245-K249 PolarHBondContact O-N 3.02Å; D246-K249 PolarHBondContact O-N 3.4Å; L247-K249 PolarHBondContact O-N 3.24Å; K249-A253 PolarHBondContact O-N 2.94Å; K249-A253 VanDerWaalsContact O-N 3.14Å; K249-S272 WeakPolarHBondContact CD-O 3.29Å; K249-S272 WeakPolarHBondContact CE-O 3.46Å; K249-S272 PolarHBondContact NZ-O 2.92Å
250	I	98.6	Very high	96.6	Very high	11 Å²	11	25.2 Å²	25.2	6%	0.056	16%	0.162	C	C	.	.	H	α-helix	trans	-70.7	-42.5	175.1	-59.5	168.1	0	0	0	109.7	F207 L247 E248 A253 Y254 L294 S296	F207-I250 HydrophobicContact CE1-CB 4.36Å; F207-I250 HydrophobicContact CE1-CG2 3.89Å; F207-I250 HydrophobicContact CZ-CB 4.39Å; F207-I250 HydrophobicContact CZ-CG2 4.22Å; L247-I250 HydrophobicContact CD1-CD1 4.01Å; L247-I250 WeakPolarHBondContact O-CA 3.42Å; L247-I250 WeakPolarHBondContact O-CB 3.39Å; L247-I250 PolarHBondContact O-N 3.34Å; E248-I250 PolarHBondContact O-N 2.71Å; I250-A253 WeakPolarHBondContact O-CB 3.39Å; I250-A253 PolarHBondContact O-N 3.06Å; I250-Y254 HydrophobicContact CG2-CE1 4.3Å; I250-Y254 HydrophobicContact CG2-CE2 3.75Å; I250-Y254 PolarHBondContact O-N 3.23Å; I250-L294 HydrophobicContact CD1-CB 4.15Å; I250-S296 WeakPolarHBondContact CD1-OG 3.26Å
251	F	98.8	Very high	96.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60	-49.3	175.4	-178.6	-94.8	0	0	0	112.1	D126 A128 R166 A168 F207 L247 E248 A253 Y254 W255	D126-F251 HydrophobicContact CB-CD1 3.85Å; D126-F251 HydrophobicContact CB-CD2 3.91Å; D126-F251 HydrophobicContact CB-CE1 3.74Å; D126-F251 HydrophobicContact CB-CE2 3.77Å; D126-F251 HydrophobicContact CB-CG 3.95Å; D126-F251 HydrophobicContact CB-CZ 3.69Å; A128-F251 HydrophobicContact CB-CD2 4.36Å; R166-F251 HydrophobicContact CB-CE1 4.21Å; R166-F251 HydrophobicContact CB-CZ 3.82Å; A168-F251 HydrophobicContact CB-CD2 4.43Å; A168-F251 HydrophobicContact CB-CE2 3.8Å; A168-F251 HydrophobicContact CB-CZ 4.26Å; F207-F251 HydrophobicContact CE2-CB 3.85Å; F207-F251 HydrophobicContact CE2-CD2 4.06Å; F207-F251 HydrophobicContact CE2-CG 4.43Å; F207-F251 HydrophobicContact CZ-CB 3.88Å; F207-F251 HydrophobicContact CZ-CD2 4.45Å; L247-F251 PolarHBondContact O-N 2.93Å; L247-F251 VanDerWaalsContact O-N 3.13Å; E248-F251 CarbonylContact O-C 3.43Å; E248-F251 WeakPolarHBondContact O-CA 3.26Å; E248-F251 WeakPolarHBondContact O-CB 3.41Å; E248-F251 PolarHBondContact O-N 2.81Å; F251-A253 PolarHBondContact O-N 3.28Å; F251-Y254 WeakPolarHBondContact O-CA 3.22Å; F251-Y254 WeakPolarHBondContact O-CB 3.44Å; F251-Y254 PolarHBondContact O-N 2.99Å; F251-W255 HydrophobicContact CE1-CB 4.23Å; F251-W255 HydrophobicContact CE1-CD2 4.27Å; F251-W255 HydrophobicContact CE1-CE3 4.02Å; F251-W255 HydrophobicContact CE1-CG 4.38Å; F251-W255 HydrophobicContact CZ-CD2 4.49Å; F251-W255 AromaticContact CZ-CE3 3.78Å; F251-W255 HydrophobicContact CZ-CE3 3.78Å; F251-W255 HydrophobicContact CZ-CZ3 4.28Å; F251-W255 PolarHBondContact O-N 2.9Å
252	E	98.4	Very high	96	Very high	52 Å²	52	35.7 Å²	35.7	24%	0.243	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-32.3	179.3	-72.4	-63	158.5	0	0	111.5	R166 E248 W255 L256 F271	R166-E252 IonicContact CZ-OE1 3.01Å; R166-E252 IonicContact NH1-OE1 3.64Å; R166-E252 PolarHBondContact NH1-OE1 3.46Å; R166-E252 IonicContact NH1-OE2 2.85Å; R166-E252 IonicContact NH2-OE1 3.06Å; R166-E252 PolarHBondContact NH2-OE1 2.95Å; E248-E252 HydrophobicContact CG-CG 4.05Å; E248-E252 WeakPolarHBondContact O-CB 3.24Å; E248-E252 WeakPolarHBondContact O-CG 3.21Å; E248-E252 PolarHBondContact O-N 2.73Å; E252-W255 PolarHBondContact O-N 3.44Å; E252-L256 VanDerWaalsContact O-CB 3.28Å; E252-L256 WeakPolarHBondContact O-CB 3.36Å; E252-L256 PolarHBondContact O-N 3.33Å; E252-F271 HydrophobicContact CB-CD1 4.35Å; E252-F271 HydrophobicContact CB-CE1 3.7Å
253	A	98.2	Very high	96	Very high	6 Å²	6	36 Å²	36	5%	0.05	21%	0.214	C	C	.	.	H	α-helix	trans	-62.5	-45.6	174.2	0	0	0	0	0	110.7	K249 I250 F251 W255 L256 V257 W267 F271	K249-A253 PolarHBondContact O-N 2.94Å; K249-A253 VanDerWaalsContact O-N 3.14Å; I250-A253 WeakPolarHBondContact O-CB 3.39Å; I250-A253 PolarHBondContact O-N 3.06Å; F251-A253 PolarHBondContact O-N 3.28Å; A253-W255 VanDerWaalsContact C-N 3.34Å; A253-L256 PolarHBondContact O-N 2.95Å; A253-V257 WeakPolarHBondContact O-CG2 3.4Å; A253-V257 PolarHBondContact O-N 3.49Å; A253-V257 VanDerWaalsContact O-N 3.16Å; A253-W267 HydrophobicContact CB-CH2 3.81Å; A253-W267 HydrophobicContact CB-CZ3 3.82Å; A253-F271 HydrophobicContact CB-CD1 4.07Å; A253-F271 HydrophobicContact CB-CE1 4.35Å
254	Y	98.4	Very high	95.9	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.008	23%	0.225	C	C	.	.	H	α-helix	trans	-62.8	-42.1	173.3	-55.5	-29.8	0	0	0	111.8	A128 V193 L203 T205 F207 I250 F251 V257 G258 F301 A444	A128-Y254 HydrophobicContact CB-CD2 3.99Å; A128-Y254 HydrophobicContact CB-CE2 4.09Å; V193-Y254 WeakPolarHBondContact CG2-O 3.42Å; L203-Y254 HydrophobicContact CD1-CD1 4.13Å; L203-Y254 HydrophobicContact CD1-CD2 3.91Å; L203-Y254 HydrophobicContact CD1-CE1 3.97Å; L203-Y254 HydrophobicContact CD1-CE2 3.71Å; L203-Y254 HydrophobicContact CD1-CG 4.11Å; T205-Y254 HydrophobicContact CG2-CE2 4.12Å; T205-Y254 PolarHBondContact OG1-OH 3.36Å; F207-Y254 AromaticContact CE1-CE2 3.97Å; F207-Y254 HydrophobicContact CE1-CE2 3.97Å; F207-Y254 HydrophobicContact CZ-CD2 4.45Å; F207-Y254 HydrophobicContact CZ-CE2 4.13Å; I250-Y254 HydrophobicContact CG2-CE1 4.3Å; I250-Y254 HydrophobicContact CG2-CE2 3.75Å; I250-Y254 PolarHBondContact O-N 3.23Å; F251-Y254 WeakPolarHBondContact O-CA 3.22Å; F251-Y254 WeakPolarHBondContact O-CB 3.44Å; F251-Y254 PolarHBondContact O-N 2.99Å; Y254-V257 PolarHBondContact O-N 2.68Å; Y254-G258 PolarHBondContact O-N 3.18Å; Y254-F301 AromaticContact CD1-CD1 3.81Å; Y254-F301 HydrophobicContact CD1-CD1 3.81Å; Y254-F301 AromaticContact CD1-CE1 3.79Å; Y254-F301 HydrophobicContact CD1-CE1 3.79Å; Y254-F301 AromaticContact CE1-CD1 3.73Å; Y254-F301 HydrophobicContact CE1-CD1 3.73Å; Y254-F301 HydrophobicContact CE1-CE1 4.11Å; Y254-A444 HydrophobicContact CE1-CB 3.92Å
255	W	98	Very high	95.7	Very high	29 Å²	29	43.4 Å²	43.4	11%	0.11	27%	0.265	C	S	.	.	H	α-helix	trans	-61.9	-45	178.3	-163.8	-109.5	0	0	0	111.5	R166 A168 D189 R191 F251 E252 A253 G258	R166-W255 HydrophobicContact CB-CE3 4.32Å; R166-W255 HydrophobicContact CB-CH2 3.75Å; R166-W255 HydrophobicContact CB-CZ2 4.33Å; R166-W255 HydrophobicContact CB-CZ3 3.73Å; R166-W255 HydrophobicContact CG-CH2 4Å; R166-W255 HydrophobicContact CG-CZ2 4.15Å; R166-W255 HydrophobicContact CG-CZ3 4.44Å; A168-W255 HydrophobicContact CB-CE3 4.42Å; D189-W255 HydrophobicContact CB-CH2 3.68Å; D189-W255 HydrophobicContact CB-CZ2 4.09Å; D189-W255 WeakPolarHBondContact O-CH2 3.25Å; R191-W255 HydrophobicContact CB-CD2 4.5Å; R191-W255 HydrophobicContact CB-CE3 3.79Å; R191-W255 HydrophobicContact CB-CH2 3.76Å; R191-W255 HydrophobicContact CB-CZ2 4.48Å; R191-W255 HydrophobicContact CB-CZ3 3.37Å; R191-W255 WeakPolarHBondContact CD-O 3.41Å; R191-W255 HydrophobicContact CG-CE3 4.4Å; R191-W255 HydrophobicContact CG-CZ3 4.38Å; R191-W255 PolarHBondContact NH1-O 3.12Å; F251-W255 HydrophobicContact CE1-CB 4.23Å; F251-W255 HydrophobicContact CE1-CD2 4.27Å; F251-W255 HydrophobicContact CE1-CE3 4.02Å; F251-W255 HydrophobicContact CE1-CG 4.38Å; F251-W255 HydrophobicContact CZ-CD2 4.49Å; F251-W255 AromaticContact CZ-CE3 3.78Å; F251-W255 HydrophobicContact CZ-CE3 3.78Å; F251-W255 HydrophobicContact CZ-CZ3 4.28Å; F251-W255 PolarHBondContact O-N 2.9Å; E252-W255 PolarHBondContact O-N 3.44Å; A253-W255 VanDerWaalsContact C-N 3.34Å; W255-G258 PolarHBondContact O-N 3.45Å
256	L	97.1	Very high	95.5	Very high	81 Å²	81	46.8 Å²	46.8	42%	0.424	29%	0.286	S	S	.	.	H	α-helix	trans	-61.9	-45.9	179.1	-178.5	70.9	0	0	0	111.9	E252 A253 G258 P264 W267 F271	E252-L256 VanDerWaalsContact O-CB 3.28Å; E252-L256 WeakPolarHBondContact O-CB 3.36Å; E252-L256 PolarHBondContact O-N 3.33Å; A253-L256 PolarHBondContact O-N 2.95Å; L256-G258 VanDerWaalsContact C-N 3.3Å; L256-P264 HydrophobicContact CD2-CG 4.05Å; L256-W267 HydrophobicContact CD2-CE3 4.5Å; L256-W267 HydrophobicContact CD2-CZ3 4.03Å; L256-F271 HydrophobicContact CB-CZ 4.27Å; L256-F271 HydrophobicContact CD2-CE2 4Å; L256-F271 HydrophobicContact CD2-CZ 3.74Å; L256-F271 HydrophobicContact CG-CZ 4.49Å
257	V	96.4	Very high	95.5	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	29%	0.29	C	S	.	.	H	α-helix	trans	-80	-13	-178.4	-61	0	0	0	0	113.2	V193 L198 A253 Y254 G259 S260 W267 F301	V193-V257 HydrophobicContact CG1-CG2 3.78Å; L198-V257 HydrophobicContact CD1-CB 4.11Å; L198-V257 HydrophobicContact CD1-CG2 4.05Å; A253-V257 WeakPolarHBondContact O-CG2 3.4Å; A253-V257 PolarHBondContact O-N 3.49Å; A253-V257 VanDerWaalsContact O-N 3.16Å; Y254-V257 PolarHBondContact O-N 2.68Å; V257-G259 PolarHBondContact O-N 2.83Å; V257-S260 WeakPolarHBondContact O-CB 3.3Å; V257-S260 PolarHBondContact O-N 3.14Å; V257-W267 HydrophobicContact CG1-CH2 3.68Å; V257-W267 HydrophobicContact CG1-CZ3 4.28Å; V257-F301 HydrophobicContact CG2-CE1 3.62Å; V257-F301 HydrophobicContact CG2-CZ 3.82Å
258	G	93	Very high	95.4	Very high	9 Å²	9	50.6 Å²	50.6	9%	0.093	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	101.9	170.4	0	0	0	0	0	110.6	R191 T192 Y254 W255 L256	R191-G258 WeakPolarHBondContact CD-O 3.33Å; T192-G258 WeakPolarHBondContact O-CA 3.3Å; Y254-G258 PolarHBondContact O-N 3.18Å; W255-G258 PolarHBondContact O-N 3.45Å; L256-G258 VanDerWaalsContact C-N 3.3Å
259	G	81.8	Confident	95.3	Very high	83 Å²	83	54.7 Å²	54.7	86%	0.856	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.1	0.8	-171.7	0	0	0	0	0	114.7	V257	V257-G259 PolarHBondContact O-N 2.83Å
260	S	88.7	Confident	95.2	Very high	46 Å²	46	55.5 Å²	55.5	32%	0.322	35%	0.352	S	S	.	.			trans	-96.8	150.8	170.8	-175.8	0	0	0	0	111.2	V257 S262	V257-S260 WeakPolarHBondContact O-CB 3.3Å; V257-S260 PolarHBondContact O-N 3.14Å; S260-S262 PolarHBondContact OG-N 3.1Å; S260-S262 VanDerWaalsContact OG-N 3.12Å; S260-S262 PolarHBondContact OG-O 3.01Å
261	E	88.4	Confident	95.1	Very high	189 Å²	189	56.2 Å²	56.2	88%	0.883	36%	0.355	S	S	*	.	S	Bend	trans	-89.7	-6.8	170.5	-62.6	-173.7	165.5	0	0	112.8
262	S	94.4	Very high	95.1	Very high	78 Å²	78	57.8 Å²	57.8	55%	0.545	37%	0.366	S	S	.	.	S	Bend	trans	-144.3	157.1	-175.9	65.6	0	0	0	0	113.3	S260	S260-S262 PolarHBondContact OG-N 3.1Å; S260-S262 VanDerWaalsContact OG-N 3.12Å; S260-S262 PolarHBondContact OG-O 3.01Å
263	I	96.7	Very high	95	Very high	35 Å²	35	55.8 Å²	55.8	18%	0.179	36%	0.357	C	S	.	.			trans	-93.5	127.9	174.4	-55.1	168.5	0	0	0	108.3	L198 T199 S265 W267 S300 F301	L198-I263 HydrophobicContact CB-CD1 4.21Å; L198-I263 HydrophobicContact CB-CG1 4.18Å; L198-I263 HydrophobicContact CD2-CG1 4.12Å; T199-I263 HydrophobicContact CG2-CD1 3.69Å; I263-S265 PolarHBondContact O-N 3.5Å; I263-W267 HydrophobicContact CG2-CH2 4.09Å; I263-W267 HydrophobicContact CG2-CZ2 3.31Å; I263-S300 WeakPolarHBondContact CG2-O 3.42Å; I263-F301 HydrophobicContact CD1-CD2 3.92Å; I263-F301 HydrophobicContact CD1-CE2 3.38Å; I263-F301 HydrophobicContact CD1-CZ 4.19Å; I263-F301 HydrophobicContact CG1-CE2 3.91Å; I263-F301 HydrophobicContact CG1-CZ 4.24Å
264	P	96.2	Very high	95	Very high	38 Å²	38	59.2 Å²	59.2	25%	0.247	37%	0.374	C	S	.	.			trans	-56.3	134.2	175.3	-25.7	35	0	0	0	112.4	L256 W267	L256-P264 HydrophobicContact CD2-CG 4.05Å; P264-W267 HydrophobicContact CB-CD2 4.31Å; P264-W267 HydrophobicContact CB-CE3 4.19Å; P264-W267 HydrophobicContact CG-CE3 4.05Å; P264-W267 HydrophobicContact CG-CZ3 4.04Å
265	S	93.9	Very high	94.9	Very high	118 Å²	118	61.1 Å²	61.1	83%	0.825	38%	0.382	S	S	*	.	S	Bend	trans	-143.1	110	174.1	-173.5	0	0	0	0	110	I263	I263-S265 PolarHBondContact O-N 3.5Å
266	P	95.2	Very high	95	Very high	118 Å²	118	60.9 Å²	60.9	77%	0.766	38%	0.382	S	S	*	.	S	Bend	cis	-68.5	160.2	-5	31.7	-36.1	0	0	0	112.6
267	W	97.6	Very high	95	Very high	25 Å²	25	59.8 Å²	59.8	10%	0.095	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-64.8	146.7	168.2	-74.8	93.1	0	0	0	111.3	A253 L256 V257 I263 P264 F271 S300 F301 A303	A253-W267 HydrophobicContact CB-CH2 3.81Å; A253-W267 HydrophobicContact CB-CZ3 3.82Å; L256-W267 HydrophobicContact CD2-CE3 4.5Å; L256-W267 HydrophobicContact CD2-CZ3 4.03Å; V257-W267 HydrophobicContact CG1-CH2 3.68Å; V257-W267 HydrophobicContact CG1-CZ3 4.28Å; I263-W267 HydrophobicContact CG2-CH2 4.09Å; I263-W267 HydrophobicContact CG2-CZ2 3.31Å; P264-W267 HydrophobicContact CB-CD2 4.31Å; P264-W267 HydrophobicContact CB-CE3 4.19Å; P264-W267 HydrophobicContact CG-CE3 4.05Å; P264-W267 HydrophobicContact CG-CZ3 4.04Å; W267-F271 HydrophobicContact CE3-CD2 4.38Å; W267-F271 HydrophobicContact CE3-CG 4.28Å; W267-S300 PolarHBondContact NE1-O 2.81Å; W267-F301 HydrophobicContact CH2-CD1 4.39Å; W267-F301 HydrophobicContact CH2-CE1 4.49Å; W267-F301 HydrophobicContact CZ2-CD1 4.16Å; W267-F301 HydrophobicContact CZ2-CG 4.41Å; W267-A303 HydrophobicContact CB-CB 3.84Å; W267-A303 HydrophobicContact CG-CB 4.01Å
268	P	96.7	Very high	95	Very high	57 Å²	57	65.3 Å²	65.3	37%	0.37	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-58.2	148.9	172.6	-21.5	32	0	0	0	112	S270 F271	P268-S270 PolarHBondContact O-N 2.96Å; P268-S270 VanDerWaalsContact O-N 3.12Å; P268-F271 HydrophobicContact CB-CD2 3.84Å; P268-F271 HydrophobicContact CB-CE2 3.98Å; P268-F271 HydrophobicContact CG-CD2 4.01Å; P268-F271 HydrophobicContact CG-CE2 3.88Å; P268-F271 WeakPolarHBondContact O-CD2 3.49Å; P268-F271 PolarHBondContact O-N 3.36Å; P268-F271 VanDerWaalsContact O-N 3.07Å
269	S	96.3	Very high	95.2	Very high	106 Å²	106	68.7 Å²	68.7	74%	0.741	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-60.8	-26.5	-175	57.1	0	0	0	0	113.6	F271 S272	S269-F271 PolarHBondContact O-N 2.99Å; S269-F271 VanDerWaalsContact O-N 3.13Å; S269-S272 VanDerWaalsContact O-CB 3.23Å; S269-S272 WeakPolarHBondContact O-CB 3.43Å; S269-S272 PolarHBondContact O-N 2.94Å; S269-S272 PolarHBondContact O-OG 3.4Å
270	S	96.4	Very high	96	Very high	82 Å²	82	66.2 Å²	66.2	57%	0.573	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-58.6	-23	175.9	55.5	0	0	0	0	114.1	P268	P268-S270 PolarHBondContact O-N 2.96Å; P268-S270 VanDerWaalsContact O-N 3.12Å
271	F	97.5	Very high	96.4	Very high	25 Å²	25	64.2 Å²	64.2	11%	0.11	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-90.6	-7.8	177.6	-60.6	-90.6	0	0	0	113	E252 A253 L256 W267 P268 S269 A303	E252-F271 HydrophobicContact CB-CD1 4.35Å; E252-F271 HydrophobicContact CB-CE1 3.7Å; A253-F271 HydrophobicContact CB-CD1 4.07Å; A253-F271 HydrophobicContact CB-CE1 4.35Å; L256-F271 HydrophobicContact CB-CZ 4.27Å; L256-F271 HydrophobicContact CD2-CE2 4Å; L256-F271 HydrophobicContact CD2-CZ 3.74Å; L256-F271 HydrophobicContact CG-CZ 4.49Å; W267-F271 HydrophobicContact CE3-CD2 4.38Å; W267-F271 HydrophobicContact CE3-CG 4.28Å; P268-F271 HydrophobicContact CB-CD2 3.84Å; P268-F271 HydrophobicContact CB-CE2 3.98Å; P268-F271 HydrophobicContact CG-CD2 4.01Å; P268-F271 HydrophobicContact CG-CE2 3.88Å; P268-F271 WeakPolarHBondContact O-CD2 3.49Å; P268-F271 PolarHBondContact O-N 3.36Å; P268-F271 VanDerWaalsContact O-N 3.07Å; S269-F271 PolarHBondContact O-N 2.99Å; S269-F271 VanDerWaalsContact O-N 3.13Å; F271-A303 HydrophobicContact CB-CB 3.65Å; F271-A303 VanDerWaalsContact O-CB 3.26Å; F271-A303 WeakPolarHBondContact O-CB 3.32Å
272	S	97.8	Very high	96.7	Very high	34 Å²	34	60.6 Å²	60.6	24%	0.238	36%	0.36	C	S	.	.			trans	-71.8	153.8	-176.5	-54.7	0	0	0	0	111.4	K249 S269 A304	K249-S272 WeakPolarHBondContact CD-O 3.29Å; K249-S272 WeakPolarHBondContact CE-O 3.46Å; K249-S272 PolarHBondContact NZ-O 2.92Å; S269-S272 VanDerWaalsContact O-CB 3.23Å; S269-S272 WeakPolarHBondContact O-CB 3.43Å; S269-S272 PolarHBondContact O-N 2.94Å; S269-S272 PolarHBondContact O-OG 3.4Å; S272-A304 VanDerWaalsContact CA-O 3.25Å; S272-A304 WeakPolarHBondContact CA-O 3.42Å; S272-A304 WeakPolarHBondContact CB-O 3.33Å
273	T	97.6	Very high	96.6	Very high	9 Å²	9	57.2 Å²	57.2	6%	0.055	34%	0.336	C	S	.	.			trans	-132.3	148.6	177	-172	0	0	0	0	112.2	D246 Y275 A304 G305 R306	D246-T273 WeakPolarHBondContact OD1-CB 3.5Å; D246-T273 PolarHBondContact OD1-OG1 3.45Å; T273-Y275 VanDerWaalsContact C-N 3.35Å; T273-Y275 WeakPolarHBondContact CG2-O 3.29Å; T273-Y275 PolarHBondContact OG1-N 3.25Å; T273-Y275 VanDerWaalsContact OG1-N 3.09Å; T273-A304 PolarHBondContact N-O 2.81Å; T273-G305 WeakPolarHBondContact O-CA 3.41Å; T273-R306 HydrophobicContact CG2-CB 4.16Å
274	L	96.5	Very high	96.4	Very high	79 Å²	79	57.8 Å²	57.8	41%	0.414	34%	0.342	S	S	.	.	S	Bend	trans	-86	-13.3	170.4	-57.9	178	0	0	0	111.5	T279	L274-T279 PolarHBondContact O-OG1 3.32Å
275	Y	97.8	Very high	96.3	Very high	41 Å²	41	56 Å²	56	16%	0.161	33%	0.331	C	S	.	.			trans	-97.7	120.7	-172.1	-48.9	-51.8	0	0	0	111.7	D246 T273 T279 L281	D246-Y275 HydrophobicContact CB-CD2 4.13Å; T273-Y275 VanDerWaalsContact C-N 3.35Å; T273-Y275 WeakPolarHBondContact CG2-O 3.29Å; T273-Y275 PolarHBondContact OG1-N 3.25Å; T273-Y275 VanDerWaalsContact OG1-N 3.09Å; Y275-T279 WeakPolarHBondContact CA-O 3.31Å; Y275-L281 HydrophobicContact CD1-CB 3.67Å; Y275-L281 HydrophobicContact CD1-CD1 4.22Å; Y275-L281 HydrophobicContact CD1-CG 4.48Å; Y275-L281 HydrophobicContact CD2-CB 4.31Å; Y275-L281 HydrophobicContact CE1-CB 4.02Å; Y275-L281 HydrophobicContact CE1-CD1 3.65Å; Y275-L281 HydrophobicContact CE1-CG 4.37Å; Y275-L281 HydrophobicContact CE2-CD1 4.26Å; Y275-L281 HydrophobicContact CE2-CD2 4.43Å; Y275-L281 HydrophobicContact CG-CB 3.84Å
276	N	98.4	Very high	96.3	Very high	24 Å²	24	52.7 Å²	52.7	13%	0.128	30%	0.304	C	S	.	.	S	Bend	trans	-157.6	-176.5	-176.6	61.4	62.8	0	0	0	110.8	D278 T279 P280 G305 T307	N276-D278 PolarHBondContact O-N 3.44Å; N276-D278 WeakPolarHBondContact OD1-CA 3.49Å; N276-D278 WeakPolarHBondContact OD1-CB 3.47Å; N276-D278 PolarHBondContact OD1-N 3.49Å; N276-T279 PolarHBondContact N-O 3.33Å; N276-T279 PolarHBondContact ND2-OG1 2.81Å; N276-T279 CarbonylContact O-C 3.5Å; N276-T279 VanDerWaalsContact O-C 3.23Å; N276-T279 PolarHBondContact O-N 2.96Å; N276-T279 PolarHBondContact OD1-N 2.84Å; N276-T279 PolarHBondContact OD1-OG1 2.82Å; N276-P280 WeakPolarHBondContact O-CA 3.49Å; N276-P280 WeakPolarHBondContact O-CD 3.49Å; N276-G305 WeakPolarHBondContact CB-O 3.3Å; N276-T307 VanDerWaalsContact CB-OG1 3.26Å; N276-T307 WeakPolarHBondContact CB-OG1 3.29Å
277	K	97.8	Very high	96	Very high	59 Å²	59	52.5 Å²	52.5	26%	0.257	31%	0.305	S	S	.	.	S	Bend	trans	-59.4	-27.9	-179.9	69.8	171.8	-170.4	63.8	0	114.6	Y293 T307 Q311	K277-Y293 HydrophobicContact CB-CE1 4.19Å; K277-Y293 HydrophobicContact CB-CE2 4.06Å; K277-T307 HydrophobicContact CB-CG2 4.25Å; K277-T307 HydrophobicContact CD-CG2 4.1Å; K277-T307 HydrophobicContact CG-CG2 4.13Å; K277-T307 PolarHBondContact N-OG1 3.12Å; K277-T307 VanDerWaalsContact N-OG1 3.11Å; K277-Q311 HydrophobicContact CD-CG 4.25Å
278	D	97.6	Very high	95.7	Very high	117 Å²	117	51.6 Å²	51.6	63%	0.626	30%	0.302	S	S	*	.	S	Bend	trans	-94.2	-31.8	-177	-59.8	-52.5	0	0	0	111.7	N276 P280	N276-D278 PolarHBondContact O-N 3.44Å; N276-D278 WeakPolarHBondContact OD1-CA 3.49Å; N276-D278 WeakPolarHBondContact OD1-CB 3.47Å; N276-D278 PolarHBondContact OD1-N 3.49Å; D278-P280 VanDerWaalsContact C-CD 3.49Å
279	T	97	Very high	95.5	Very high	80 Å²	80	52.8 Å²	52.8	49%	0.491	31%	0.31	S	S	.	.	S	Bend	trans	-126.8	68.3	175.5	53.6	0	0	0	0	110.7	L274 Y275 N276	L274-T279 PolarHBondContact O-OG1 3.32Å; Y275-T279 WeakPolarHBondContact CA-O 3.31Å; N276-T279 PolarHBondContact N-O 3.33Å; N276-T279 PolarHBondContact ND2-OG1 2.81Å; N276-T279 CarbonylContact O-C 3.5Å; N276-T279 VanDerWaalsContact O-C 3.23Å; N276-T279 PolarHBondContact O-N 2.96Å; N276-T279 PolarHBondContact OD1-N 2.84Å; N276-T279 PolarHBondContact OD1-OG1 2.82Å
280	P	97.3	Very high	95.4	Very high	30 Å²	30	47.9 Å²	47.9	20%	0.195	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-68.8	153.1	-178.4	28.3	-35	0	0	0	111.5	N276 D278 Q282 Y293	N276-P280 WeakPolarHBondContact O-CA 3.49Å; N276-P280 WeakPolarHBondContact O-CD 3.49Å; D278-P280 VanDerWaalsContact C-CD 3.49Å; P280-Q282 PolarHBondContact O-N 3.22Å; P280-Y293 HydrophobicContact CB-CD1 4.06Å
281	L	96.6	Very high	95.4	Very high	5 Å²	5	45.3 Å²	45.3	3%	0.026	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	119.4	172.1	174.4	58.4	0	0	0	109.2	C83 C242 L243 Y275 L283 V292	C83-L281 HydrophobicContact CB-CD1 3.76Å; C242-L281 HydrophobicContact CB-CD1 4.44Å; C242-L281 HydrophobicContact CB-CD2 4.01Å; L243-L281 HydrophobicContact CB-CD2 4.19Å; L243-L281 HydrophobicContact CD1-CD2 4.49Å; Y275-L281 HydrophobicContact CD1-CB 3.67Å; Y275-L281 HydrophobicContact CD1-CD1 4.22Å; Y275-L281 HydrophobicContact CD1-CG 4.48Å; Y275-L281 HydrophobicContact CD2-CB 4.31Å; Y275-L281 HydrophobicContact CE1-CB 4.02Å; Y275-L281 HydrophobicContact CE1-CD1 3.65Å; Y275-L281 HydrophobicContact CE1-CG 4.37Å; Y275-L281 HydrophobicContact CE2-CD1 4.26Å; Y275-L281 HydrophobicContact CE2-CD2 4.43Å; Y275-L281 HydrophobicContact CG-CB 3.84Å; L281-L283 HydrophobicContact CD1-CD2 4.3Å; L281-L283 HydrophobicContact CD2-CD2 3.48Å; L281-L283 VanDerWaalsContact CD2-CD2 3.48Å; L281-L283 HydrophobicContact CD2-CG 4.49Å; L281-L283 HydrophobicContact CG-CD2 3.66Å; L281-L283 HydrophobicContact CG-CG 4.22Å; L281-V292 WeakPolarHBondContact CA-O 3.39Å; L281-V292 VanDerWaalsContact CB-O 3.29Å; L281-V292 WeakPolarHBondContact CB-O 3.39Å; L281-V292 PolarHBondContact N-O 2.87Å; L281-V292 PolarHBondContact O-N 3.09Å
282	Q	94.9	Very high	95.4	Very high	113 Å²	113	44.1 Å²	44.1	53%	0.528	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	116.6	176.4	-59.6	-62.2	-17.4	0	0	109.4	P280 S290 S291	P280-Q282 PolarHBondContact O-N 3.22Å; Q282-S290 WeakPolarHBondContact CA-O 3.29Å; Q282-S290 PolarHBondContact OE1-O 3.42Å; Q282-S291 VanDerWaalsContact CD-OG 3.23Å; Q282-S291 PolarHBondContact NE2-OG 3.12Å; Q282-S291 PolarHBondContact OE1-OG 2.89Å
283	L	93.3	Very high	95.4	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.037	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	159.9	175.4	60.3	78.6	0	0	0	111	C87 L281 L285 S290 V292	C87-L283 HydrophobicContact CB-CD1 3.9Å; L281-L283 HydrophobicContact CD1-CD2 4.3Å; L281-L283 HydrophobicContact CD2-CD2 3.48Å; L281-L283 VanDerWaalsContact CD2-CD2 3.48Å; L281-L283 HydrophobicContact CD2-CG 4.49Å; L281-L283 HydrophobicContact CG-CD2 3.66Å; L281-L283 HydrophobicContact CG-CG 4.22Å; L283-L285 HydrophobicContact CD1-CD2 3.49Å; L283-L285 VanDerWaalsContact CD1-CD2 3.49Å; L283-L285 HydrophobicContact CD1-CG 3.69Å; L283-S290 PolarHBondContact N-O 3.48Å; L283-S290 WeakPolarHBondContact O-CA 3.38Å; L283-S290 VanDerWaalsContact O-CB 3.27Å; L283-S290 WeakPolarHBondContact O-CB 3.5Å; L283-S290 PolarHBondContact O-N 3.26Å; L283-V292 HydrophobicContact CD1-CG2 4.49Å
284	P	92.2	Very high	95.5	Very high	47 Å²	47	42.9 Å²	42.9	31%	0.305	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	127.9	171.8	30.3	-32.3	0	0	0	111	T288	P284-T288 CarbonylContact C-O 3.54Å; P284-T288 VanDerWaalsContact CA-O 3.28Å; P284-T288 WeakPolarHBondContact CA-O 3.33Å
285	L	93.7	Very high	95.6	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	119.2	166.6	-70.6	-179.6	0	0	0	108.6	C87 I89 V237 L283 S287 T288 S290 V292 V450 Q452	C87-L285 HydrophobicContact CB-CD2 3.63Å; I89-L285 HydrophobicContact CB-CD1 4.48Å; I89-L285 HydrophobicContact CB-CD2 4.23Å; I89-L285 HydrophobicContact CD1-CD1 4.14Å; I89-L285 HydrophobicContact CG2-CB 3.74Å; I89-L285 HydrophobicContact CG2-CD1 4.09Å; I89-L285 HydrophobicContact CG2-CD2 4.24Å; I89-L285 HydrophobicContact CG2-CG 4.26Å; V237-L285 HydrophobicContact CG1-CD2 4.13Å; L283-L285 HydrophobicContact CD1-CD2 3.49Å; L283-L285 VanDerWaalsContact CD1-CD2 3.49Å; L283-L285 HydrophobicContact CD1-CG 3.69Å; L285-S287 PolarHBondContact O-N 2.87Å; L285-T288 PolarHBondContact N-O 3.45Å; L285-T288 WeakPolarHBondContact O-CB 3.37Å; L285-T288 PolarHBondContact O-N 3.5Å; L285-S290 WeakPolarHBondContact CB-OG 3.46Å; L285-S290 PolarHBondContact N-OG 3.04Å; L285-V292 HydrophobicContact CD1-CG2 3.62Å; L285-V292 HydrophobicContact CG-CG2 4.15Å; L285-V450 HydrophobicContact CD1-CG1 3.62Å; L285-V450 HydrophobicContact CD1-CG2 4.11Å; L285-Q452 PolarHBondContact O-NE2 3.34Å
286	N	93.3	Very high	95.6	Very high	48 Å²	48	37.3 Å²	37.3	26%	0.257	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.7	37	-173.5	-58.5	-12.2	0	0	0	112.6	C87 K88 I89 T288	C87-N286 PolarHBondContact O-N 3.37Å; K88-N286 VanDerWaalsContact CA-OD1 3.24Å; K88-N286 WeakPolarHBondContact CA-OD1 3.28Å; K88-N286 WeakPolarHBondContact CG-OD1 3.44Å; I89-N286 PolarHBondContact N-OD1 2.96Å; I89-N286 PolarHBondContact O-ND2 3.35Å; I89-N286 PolarHBondContact O-OD1 3.44Å; N286-T288 PolarHBondContact O-N 3.49Å
287	S	89.9	Confident	95.6	Very high	114 Å²	114	36.2 Å²	36.2	80%	0.797	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.8	-1.2	-173.6	-37.6	0	0	0	0	115.6	L285	L285-S287 PolarHBondContact O-N 2.87Å
288	T	91.1	Very high	95.6	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.037	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	125.5	174.1	-51.5	0	0	0	0	110.6	P284 L285 N286 S290 Q452 D454 T459	P284-T288 CarbonylContact C-O 3.54Å; P284-T288 VanDerWaalsContact CA-O 3.28Å; P284-T288 WeakPolarHBondContact CA-O 3.33Å; L285-T288 PolarHBondContact N-O 3.45Å; L285-T288 WeakPolarHBondContact O-CB 3.37Å; L285-T288 PolarHBondContact O-N 3.5Å; N286-T288 PolarHBondContact O-N 3.49Å; T288-S290 PolarHBondContact O-N 3.12Å; T288-S290 PolarHBondContact O-OG 2.95Å; T288-Q452 HydrophobicContact CG2-CB 4.4Å; T288-Q452 HydrophobicContact CG2-CG 4.35Å; T288-D454 HydrophobicContact CG2-CB 3.57Å; T288-T459 HydrophobicContact CG2-CG2 4.25Å
289	P	92.3	Very high	95.6	Very high	82 Å²	82	31.4 Å²	31.4	53%	0.532	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-52.5	126.9	172.4	-25.8	35.1	0	0	0	111.4
290	S	94.1	Very high	95.6	Very high	2 Å²	2	30.2 Å²	30.2	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	143.5	-172	-51.8	0	0	0	0	111.6	Q282 L283 L285 T288 N451 Q452	Q282-S290 WeakPolarHBondContact CA-O 3.29Å; Q282-S290 PolarHBondContact OE1-O 3.42Å; L283-S290 PolarHBondContact N-O 3.48Å; L283-S290 WeakPolarHBondContact O-CA 3.38Å; L283-S290 VanDerWaalsContact O-CB 3.27Å; L283-S290 WeakPolarHBondContact O-CB 3.5Å; L283-S290 PolarHBondContact O-N 3.26Å; L285-S290 WeakPolarHBondContact CB-OG 3.46Å; L285-S290 PolarHBondContact N-OG 3.04Å; T288-S290 PolarHBondContact O-N 3.12Å; T288-S290 PolarHBondContact O-OG 2.95Å; S290-N451 WeakPolarHBondContact CA-O 3.49Å; S290-Q452 WeakPolarHBondContact OG-CG 3.27Å; S290-Q452 PolarHBondContact OG-NE2 3.41Å
291	S	96.1	Very high	95.6	Very high	29 Å²	29	29.2 Å²	29.2	20%	0.203	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	121.4	165.3	-61.8	0	0	0	0	108.7	Q282 N451	Q282-S291 VanDerWaalsContact CD-OG 3.23Å; Q282-S291 PolarHBondContact NE2-OG 3.12Å; Q282-S291 PolarHBondContact OE1-OG 2.89Å; S291-N451 PolarHBondContact N-O 2.76Å; S291-N451 PolarHBondContact O-N 3.34Å
292	V	97.7	Very high	95.7	Very high	0 Å²	0	30 Å²	30	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	139.9	-172.2	-172	0	0	0	0	110.2	L243 L281 L283 L285 L448 V449 V450	L243-V292 HydrophobicContact CD1-CG1 3.91Å; L243-V292 HydrophobicContact CD2-CG1 4.05Å; L281-V292 WeakPolarHBondContact CA-O 3.39Å; L281-V292 VanDerWaalsContact CB-O 3.29Å; L281-V292 WeakPolarHBondContact CB-O 3.39Å; L281-V292 PolarHBondContact N-O 2.87Å; L281-V292 PolarHBondContact O-N 3.09Å; L283-V292 HydrophobicContact CD1-CG2 4.49Å; L285-V292 HydrophobicContact CD1-CG2 3.62Å; L285-V292 HydrophobicContact CG-CG2 4.15Å; V292-L448 HydrophobicContact CG1-CD1 3.59Å; V292-V449 WeakPolarHBondContact CA-O 3.31Å; V292-V450 HydrophobicContact CG1-CG2 4.24Å; V292-V450 HydrophobicContact CG2-CG2 4.44Å
293	Y	98.7	Very high	95.8	Very high	17 Å²	17	25.2 Å²	25.2	7%	0.067	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	163.9	166.3	67.9	-83.7	0	0	0	111	K277 P280 T307 S312 V449	K277-Y293 HydrophobicContact CB-CE1 4.19Å; K277-Y293 HydrophobicContact CB-CE2 4.06Å; P280-Y293 HydrophobicContact CB-CD1 4.06Å; Y293-T307 HydrophobicContact CE2-CG2 4.48Å; Y293-S312 VanDerWaalsContact CE2-OG 3.23Å; Y293-S312 WeakPolarHBondContact CE2-OG 3.19Å; Y293-S312 PolarHBondContact OH-OG 2.76Å; Y293-V449 HydrophobicContact CD1-CB 4.01Å; Y293-V449 HydrophobicContact CD1-CG1 4.29Å; Y293-V449 HydrophobicContact CD2-CB 4.45Å; Y293-V449 HydrophobicContact CD2-CG2 4.49Å; Y293-V449 HydrophobicContact CE1-CB 3.6Å; Y293-V449 HydrophobicContact CE1-CG1 3.52Å; Y293-V449 HydrophobicContact CE1-CG2 4.24Å; Y293-V449 HydrophobicContact CE2-CB 4.07Å; Y293-V449 HydrophobicContact CE2-CG2 3.87Å; Y293-V449 HydrophobicContact CG-CB 4.41Å; Y293-V449 PolarHBondContact N-O 2.93Å; Y293-V449 VanDerWaalsContact N-O 3.08Å; Y293-V449 PolarHBondContact O-N 3.3Å
294	L	98.8	Very high	96	Very high	0 Å²	0	28 Å²	28	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	140.3	174.9	-60.7	158.7	0	0	0	109.5	L243 D246 L247 I250 R306 A447 L448	L243-L294 HydrophobicContact CD1-CD1 3.87Å; L243-L294 HydrophobicContact CD1-CD2 4.5Å; L243-L294 HydrophobicContact CD1-CG 3.97Å; D246-L294 HydrophobicContact CB-CD1 4.34Å; L247-L294 HydrophobicContact CB-CD1 3.6Å; L247-L294 HydrophobicContact CD1-CD1 3.9Å; L247-L294 HydrophobicContact CD1-CD2 4.29Å; L247-L294 HydrophobicContact CG-CD1 4.3Å; I250-L294 HydrophobicContact CD1-CB 4.15Å; L294-R306 WeakPolarHBondContact O-CD 3.45Å; L294-R306 PolarHBondContact O-NH1 3.01Å; L294-A447 VanDerWaalsContact CA-O 3.31Å; L294-A447 WeakPolarHBondContact CA-O 3.4Å; L294-L448 HydrophobicContact CD2-CB 4.18Å; L294-L448 HydrophobicContact CD2-CD1 3.89Å
295	S	98.6	Very high	96.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	163.3	171.2	48.6	0	0	0	0	111.6	T307 D309 S312 S446 A447	S295-T307 VanDerWaalsContact CA-O 3.27Å; S295-T307 WeakPolarHBondContact CA-O 3.4Å; S295-T307 VanDerWaalsContact CB-O 3.23Å; S295-T307 WeakPolarHBondContact CB-O 3.36Å; S295-D309 VanDerWaalsContact CB-OD1 3.28Å; S295-D309 WeakPolarHBondContact CB-OD1 3.35Å; S295-D309 PolarHBondContact OG-OD1 2.83Å; S295-S312 PolarHBondContact OG-OG 2.94Å; S295-S446 WeakPolarHBondContact O-CA 3.35Å; S295-S446 PolarHBondContact O-OG 3.49Å; S295-S446 VanDerWaalsContact O-OG 3.04Å; S295-A447 PolarHBondContact N-O 3.08Å; S295-A447 PolarHBondContact O-N 3.12Å
296	S	98.3	Very high	96.5	Very high	2 Å²	2	28.3 Å²	28.3	1%	0.014	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	147.9	-177.6	-52.6	0	0	0	0	111.9	I250 C302 T307 P308 D309 G445	I250-S296 WeakPolarHBondContact CD1-OG 3.26Å; S296-C302 PolarHBondContact O-SG 2.81Å; S296-T307 PolarHBondContact N-O 3.08Å; S296-T307 VanDerWaalsContact N-O 3.14Å; S296-P308 CarbonylContact O-C 3.6Å; S296-P308 WeakPolarHBondContact O-CA 3.49Å; S296-D309 PolarHBondContact O-N 3.14Å; S296-G445 WeakPolarHBondContact CA-O 3.36Å
297	S	98.1	Very high	96.8	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.007	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	162.8	169.1	66.5	0	0	0	0	109.6	Y439 T443 A444 G445	S297-Y439 PolarHBondContact OG-O 3.28Å; S297-Y439 VanDerWaalsContact OG-O 3.12Å; S297-T443 CarbonylContact C-O 3.44Å; S297-T443 PolarHBondContact OG-O 2.55Å; S297-A444 VanDerWaalsContact O-CA 3.23Å; S297-A444 WeakPolarHBondContact O-CA 3.23Å; S297-G445 PolarHBondContact N-O 3.41Å; S297-G445 PolarHBondContact O-N 2.93Å; S297-G445 WeakPolarHBondContact OG-CA 3.42Å; S297-G445 PolarHBondContact OG-N 2.76Å
298	P	98.1	Very high	97.2	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	16%	0.157	C	C	.	.	S	Bend	cis	-69.1	175	-18.8	33.8	-37.5	0	0	0	111.5	T199 S300 F301 L441 T443	T199-P298 HydrophobicContact CG2-CG 4.05Å; P298-S300 WeakPolarHBondContact CG-OG 3.36Å; P298-S300 PolarHBondContact O-N 2.73Å; P298-S300 VanDerWaalsContact O-N 3.07Å; P298-F301 HydrophobicContact CG-CD2 3.86Å; P298-F301 PolarHBondContact O-N 2.89Å; P298-L441 WeakPolarHBondContact CB-O 3.44Å; P298-T443 WeakPolarHBondContact CD-O 3.21Å
299	P	97.7	Very high	97.5	Very high	75 Å²	75	22.2 Å²	22.2	49%	0.487	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-53.1	-30.2	177.4	-29.6	35.8	0	0	0	114.5	F301 C302 F440	P299-F301 PolarHBondContact O-N 2.92Å; P299-C302 WeakPolarHBondContact O-CB 3.5Å; P299-C302 PolarHBondContact O-N 2.75Å; P299-C302 VanDerWaalsContact O-N 3.1Å; P299-F440 WeakPolarHBondContact CD-O 3.24Å
300	S	97.1	Very high	97.8	Very high	56 Å²	56	19.9 Å²	19.9	39%	0.392	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-66.3	-20.7	175.6	54.1	0	0	0	0	113.8	I263 W267 P298	I263-S300 WeakPolarHBondContact CG2-O 3.42Å; W267-S300 PolarHBondContact NE1-O 2.81Å; P298-S300 WeakPolarHBondContact CG-OG 3.36Å; P298-S300 PolarHBondContact O-N 2.73Å; P298-S300 VanDerWaalsContact O-N 3.07Å
301	F	97.3	Very high	98.1	Very high	9 Å²	9	24.3 Å²	24.3	4%	0.039	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-94.3	5.5	173.7	-84.8	-101.7	0	0	0	113.4	M195 L198 T199 Y254 V257 I263 W267 P298 P299 A303	M195-F301 HydrophobicContact CE-CD2 4.2Å; M195-F301 HydrophobicContact CE-CE2 3.59Å; M195-F301 HydrophobicContact CE-CZ 3.9Å; M195-F301 HydrophobicContact SD-CE1 4.21Å; M195-F301 HydrophobicContact SD-CE2 3.72Å; M195-F301 HydrophobicContact SD-CZ 3.4Å; M195-F301 WeakPolarHBondContact SD-CZ 3.41Å; L198-F301 HydrophobicContact CD1-CZ 4.26Å; T199-F301 HydrophobicContact CG2-CD2 4.29Å; T199-F301 HydrophobicContact CG2-CE2 3.75Å; Y254-F301 AromaticContact CD1-CD1 3.81Å; Y254-F301 HydrophobicContact CD1-CD1 3.81Å; Y254-F301 AromaticContact CD1-CE1 3.79Å; Y254-F301 HydrophobicContact CD1-CE1 3.79Å; Y254-F301 AromaticContact CE1-CD1 3.73Å; Y254-F301 HydrophobicContact CE1-CD1 3.73Å; Y254-F301 HydrophobicContact CE1-CE1 4.11Å; V257-F301 HydrophobicContact CG2-CE1 3.62Å; V257-F301 HydrophobicContact CG2-CZ 3.82Å; I263-F301 HydrophobicContact CD1-CD2 3.92Å; I263-F301 HydrophobicContact CD1-CE2 3.38Å; I263-F301 HydrophobicContact CD1-CZ 4.19Å; I263-F301 HydrophobicContact CG1-CE2 3.91Å; I263-F301 HydrophobicContact CG1-CZ 4.24Å; W267-F301 HydrophobicContact CH2-CD1 4.39Å; W267-F301 HydrophobicContact CH2-CE1 4.49Å; W267-F301 HydrophobicContact CZ2-CD1 4.16Å; W267-F301 HydrophobicContact CZ2-CG 4.41Å; P298-F301 HydrophobicContact CG-CD2 3.86Å; P298-F301 PolarHBondContact O-N 2.89Å; P299-F301 PolarHBondContact O-N 2.92Å; F301-A303 PolarHBondContact O-N 3.15Å
302	C	97.8	Very high	98.2	Very high	22 Å²	22	22.9 Å²	22.9	15%	0.149	15%	0.149	C	C	.	.			trans	-89.7	103.6	174.2	-62.4	0	0	0	0	109.8	S296 P299 R306	S296-C302 PolarHBondContact O-SG 2.81Å; P299-C302 WeakPolarHBondContact O-CB 3.5Å; P299-C302 PolarHBondContact O-N 2.75Å; P299-C302 VanDerWaalsContact O-N 3.1Å; C302-R306 HydrophobicContact CB-CB 4.28Å; C302-R306 HydrophobicContact CB-CG 4.38Å
303	A	97.6	Very high	98.2	Very high	11 Å²	11	22.9 Å²	22.9	9%	0.091	15%	0.149	C	C	.	.			trans	-63.9	166.1	166.3	0	0	0	0	0	111.3	W267 F271 F301 G305 R306	W267-A303 HydrophobicContact CB-CB 3.84Å; W267-A303 HydrophobicContact CG-CB 4.01Å; F271-A303 HydrophobicContact CB-CB 3.65Å; F271-A303 VanDerWaalsContact O-CB 3.26Å; F271-A303 WeakPolarHBondContact O-CB 3.32Å; F301-A303 PolarHBondContact O-N 3.15Å; A303-G305 PolarHBondContact O-N 2.84Å; A303-R306 WeakPolarHBondContact O-CB 3.36Å; A303-R306 PolarHBondContact O-N 3.28Å
304	A	98.1	Very high	98.2	Very high	66 Å²	66	23.9 Å²	23.9	55%	0.545	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	132.8	-175.6	0	0	0	0	0	111.8	S272 T273 R306	S272-A304 VanDerWaalsContact CA-O 3.25Å; S272-A304 WeakPolarHBondContact CA-O 3.42Å; S272-A304 WeakPolarHBondContact CB-O 3.33Å; T273-A304 PolarHBondContact N-O 2.81Å; A304-R306 VanDerWaalsContact C-N 3.31Å; A304-R306 PolarHBondContact O-N 3.02Å
305	G	98	Very high	98.2	Very high	39 Å²	39	25.6 Å²	25.6	40%	0.402	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-21.6	-177.2	0	0	0	0	0	115.4	T273 N276 A303 T307	T273-G305 WeakPolarHBondContact O-CA 3.41Å; N276-G305 WeakPolarHBondContact CB-O 3.3Å; A303-G305 PolarHBondContact O-N 2.84Å; G305-T307 PolarHBondContact O-N 2.9Å
306	R	98.5	Very high	98.2	Very high	16 Å²	16	25.9 Å²	25.9	6%	0.06	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-68.7	130.9	178	-179.4	62.5	66.4	-154.4	-2	110.7	D246 T273 L294 C302 A303 A304 P308	D246-R306 PolarHBondContact O-NH2 2.88Å; D246-R306 VanDerWaalsContact O-NH2 3.12Å; D246-R306 IonicContact OD1-CZ 3.01Å; D246-R306 IonicContact OD1-NH1 3.28Å; D246-R306 IonicContact OD1-NH2 3.77Å; D246-R306 PolarHBondContact OD1-NH2 2.8Å; D246-R306 IonicContact OD2-CZ 2.7Å; D246-R306 VanDerWaalsContact OD2-CZ 3.28Å; D246-R306 IonicContact OD2-NH1 2.87Å; D246-R306 PolarHBondContact OD2-NH1 2.85Å; D246-R306 IonicContact OD2-NH2 3.77Å; D246-R306 PolarHBondContact OD2-NH2 3.01Å; T273-R306 HydrophobicContact CG2-CB 4.16Å; L294-R306 WeakPolarHBondContact O-CD 3.45Å; L294-R306 PolarHBondContact O-NH1 3.01Å; C302-R306 HydrophobicContact CB-CB 4.28Å; C302-R306 HydrophobicContact CB-CG 4.38Å; A303-R306 WeakPolarHBondContact O-CB 3.36Å; A303-R306 PolarHBondContact O-N 3.28Å; A304-R306 VanDerWaalsContact C-N 3.31Å; A304-R306 PolarHBondContact O-N 3.02Å; R306-P308 WeakPolarHBondContact O-CD 3.5Å
307	T	98.7	Very high	98.3	Very high	5 Å²	5	25.8 Å²	25.8	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	126	173.8	-54.9	0	0	0	0	110.6	N276 K277 Y293 S295 S296 G305 Q311	N276-T307 VanDerWaalsContact CB-OG1 3.26Å; N276-T307 WeakPolarHBondContact CB-OG1 3.29Å; K277-T307 HydrophobicContact CB-CG2 4.25Å; K277-T307 HydrophobicContact CD-CG2 4.1Å; K277-T307 HydrophobicContact CG-CG2 4.13Å; K277-T307 PolarHBondContact N-OG1 3.12Å; K277-T307 VanDerWaalsContact N-OG1 3.11Å; Y293-T307 HydrophobicContact CE2-CG2 4.48Å; S295-T307 VanDerWaalsContact CA-O 3.27Å; S295-T307 WeakPolarHBondContact CA-O 3.4Å; S295-T307 VanDerWaalsContact CB-O 3.23Å; S295-T307 WeakPolarHBondContact CB-O 3.36Å; S296-T307 PolarHBondContact N-O 3.08Å; S296-T307 VanDerWaalsContact N-O 3.14Å; G305-T307 PolarHBondContact O-N 2.9Å; T307-Q311 HydrophobicContact CG2-CB 4.23Å; T307-Q311 HydrophobicContact CG2-CG 4.45Å
308	P	98.6	Very high	98.3	Very high	34 Å²	34	29.2 Å²	29.2	22%	0.221	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	138.8	169.2	-24.7	35.4	0	0	0	112.2	S296 R306 L310 Q311 S312	S296-P308 CarbonylContact O-C 3.6Å; S296-P308 WeakPolarHBondContact O-CA 3.49Å; R306-P308 WeakPolarHBondContact O-CD 3.5Å; P308-L310 VanDerWaalsContact C-N 3.32Å; P308-L310 PolarHBondContact O-N 3.27Å; P308-Q311 HydrophobicContact CB-CB 4.38Å; P308-Q311 WeakPolarHBondContact O-CA 3.46Å; P308-Q311 WeakPolarHBondContact O-CB 3.42Å; P308-Q311 PolarHBondContact O-N 3.25Å; P308-S312 PolarHBondContact O-N 3.28Å
309	D	98.4	Very high	98.3	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-57.9	-41	-171.4	-146.9	45.9	0	0	0	113	S295 S296 Q311 S312 L313 Y429 F440 A447	S295-D309 VanDerWaalsContact CB-OD1 3.28Å; S295-D309 WeakPolarHBondContact CB-OD1 3.35Å; S295-D309 PolarHBondContact OG-OD1 2.83Å; S296-D309 PolarHBondContact O-N 3.14Å; D309-Q311 VanDerWaalsContact C-N 3.35Å; D309-Q311 PolarHBondContact O-N 3.37Å; D309-S312 WeakPolarHBondContact O-CB 3.39Å; D309-S312 PolarHBondContact O-N 3.22Å; D309-L313 WeakPolarHBondContact O-CB 3.34Å; D309-L313 PolarHBondContact O-N 3.21Å; D309-Y429 PolarHBondContact OD1-OH 2.74Å; D309-Y429 PolarHBondContact OD2-OH 3.42Å; D309-F440 HydrophobicContact CB-CD1 4.22Å; D309-F440 HydrophobicContact CB-CE1 4.48Å; D309-A447 WeakPolarHBondContact OD1-CB 3.33Å
310	L	98.6	Very high	98.3	Very high	33 Å²	33	29 Å²	29	17%	0.173	18%	0.181	C	C	.	.	H	α-helix	trans	-60.8	-43.7	174.5	-178.7	61.2	0	0	0	112.1	P308 S312 L313 L314 W344 D346 I347 F440	P308-L310 VanDerWaalsContact C-N 3.32Å; P308-L310 PolarHBondContact O-N 3.27Å; L310-S312 VanDerWaalsContact C-N 3.32Å; L310-S312 PolarHBondContact O-N 2.87Å; L310-L313 PolarHBondContact O-N 3.34Å; L310-L314 HydrophobicContact CD1-CD1 4Å; L310-L314 HydrophobicContact CD1-CG 4.04Å; L310-L314 HydrophobicContact CG-CD1 3.87Å; L310-L314 HydrophobicContact CG-CG 4.3Å; L310-L314 WeakPolarHBondContact O-CB 3.38Å; L310-L314 WeakPolarHBondContact O-CG 3.39Å; L310-L314 PolarHBondContact O-N 2.81Å; L310-W344 HydrophobicContact CD1-CH2 3.57Å; L310-W344 HydrophobicContact CD1-CZ2 3.52Å; L310-W344 HydrophobicContact CD2-CZ2 3.68Å; L310-W344 HydrophobicContact CG-CZ2 4.21Å; L310-D346 HydrophobicContact CD1-CB 4.34Å; L310-I347 HydrophobicContact CD1-CG1 4.16Å; L310-F440 HydrophobicContact CB-CB 4.06Å; L310-F440 HydrophobicContact CB-CD1 3.91Å; L310-F440 HydrophobicContact CB-CG 4.15Å; L310-F440 HydrophobicContact CD1-CD1 4.34Å; L310-F440 HydrophobicContact CD1-CG 4.23Å
311	Q	98.6	Very high	98.3	Very high	94 Å²	94	32.7 Å²	32.7	44%	0.439	19%	0.192	S	C	.	.	H	α-helix	trans	-64.5	-42.3	-179.8	-172.8	-176.2	30.9	0	0	110.5	K277 T307 P308 D309 L314 S315	K277-Q311 HydrophobicContact CD-CG 4.25Å; T307-Q311 HydrophobicContact CG2-CB 4.23Å; T307-Q311 HydrophobicContact CG2-CG 4.45Å; P308-Q311 HydrophobicContact CB-CB 4.38Å; P308-Q311 WeakPolarHBondContact O-CA 3.46Å; P308-Q311 WeakPolarHBondContact O-CB 3.42Å; P308-Q311 PolarHBondContact O-N 3.25Å; D309-Q311 VanDerWaalsContact C-N 3.35Å; D309-Q311 PolarHBondContact O-N 3.37Å; Q311-L314 PolarHBondContact O-N 2.93Å; Q311-S315 WeakPolarHBondContact O-CB 3.44Å; Q311-S315 PolarHBondContact O-N 3.23Å; Q311-S315 PolarHBondContact O-OG 3.29Å; Q311-S315 VanDerWaalsContact O-OG 3.1Å
312	S	98.6	Very high	98.4	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-58.9	-50.3	175.3	-173.4	0	0	0	0	111.6	Y293 S295 P308 D309 L310 L314 S315 V316 V449	Y293-S312 VanDerWaalsContact CE2-OG 3.23Å; Y293-S312 WeakPolarHBondContact CE2-OG 3.19Å; Y293-S312 PolarHBondContact OH-OG 2.76Å; S295-S312 PolarHBondContact OG-OG 2.94Å; P308-S312 PolarHBondContact O-N 3.28Å; D309-S312 WeakPolarHBondContact O-CB 3.39Å; D309-S312 PolarHBondContact O-N 3.22Å; L310-S312 VanDerWaalsContact C-N 3.32Å; L310-S312 PolarHBondContact O-N 2.87Å; S312-L314 PolarHBondContact O-N 3.43Å; S312-S315 PolarHBondContact O-N 3.47Å; S312-S315 PolarHBondContact O-OG 3.46Å; S312-V316 WeakPolarHBondContact O-CG2 3.36Å; S312-V316 PolarHBondContact O-N 3.01Å; S312-V449 WeakPolarHBondContact OG-CG2 3.43Å
313	L	98.8	Very high	98.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-47.2	178.9	-177.8	156.2	0	0	0	111.6	D309 L310 S315 V316 I317 I347 M422 Y429 W435 F440	D309-L313 WeakPolarHBondContact O-CB 3.34Å; D309-L313 PolarHBondContact O-N 3.21Å; L310-L313 PolarHBondContact O-N 3.34Å; L313-S315 PolarHBondContact O-N 3.1Å; L313-V316 PolarHBondContact O-N 2.48Å; L313-I317 HydrophobicContact CD2-CD1 3.56Å; L313-I317 HydrophobicContact CD2-CG1 4.43Å; L313-I317 WeakPolarHBondContact O-CG1 3.27Å; L313-I317 PolarHBondContact O-N 3.35Å; L313-I317 VanDerWaalsContact O-N 3.09Å; L313-I347 HydrophobicContact CD1-CD1 4Å; L313-I347 HydrophobicContact CD2-CB 4.48Å; L313-I347 HydrophobicContact CD2-CD1 3.78Å; L313-I347 HydrophobicContact CD2-CG1 3.75Å; L313-I347 HydrophobicContact CD2-CG2 4.06Å; L313-M422 HydrophobicContact CG-CE 4.46Å; L313-Y429 HydrophobicContact CB-CE2 4.09Å; L313-W435 HydrophobicContact CD1-CD2 4.03Å; L313-W435 HydrophobicContact CD1-CE3 4.42Å; L313-W435 HydrophobicContact CD1-CH2 3.89Å; L313-W435 HydrophobicContact CD1-CZ2 3.5Å; L313-W435 VanDerWaalsContact CD1-CZ2 3.5Å; L313-W435 HydrophobicContact CD1-CZ3 4.32Å; L313-W435 HydrophobicContact CD2-CH2 4.36Å; L313-W435 HydrophobicContact CD2-CZ3 4.42Å; L313-W435 HydrophobicContact CG-CH2 4.15Å; L313-W435 HydrophobicContact CG-CZ2 4.16Å; L313-F440 HydrophobicContact CD1-CE1 3.94Å; L313-F440 HydrophobicContact CD1-CZ 3.68Å
314	L	98.8	Very high	98.5	Very high	38 Å²	38	37.7 Å²	37.7	20%	0.199	21%	0.211	C	C	.	.	H	α-helix	trans	-64.8	-38.2	179.1	-67.4	174.8	0	0	0	112	L310 Q311 S312 I317 D318 D346 I347 Q350	L310-L314 HydrophobicContact CD1-CD1 4Å; L310-L314 HydrophobicContact CD1-CG 4.04Å; L310-L314 HydrophobicContact CG-CD1 3.87Å; L310-L314 HydrophobicContact CG-CG 4.3Å; L310-L314 WeakPolarHBondContact O-CB 3.38Å; L310-L314 WeakPolarHBondContact O-CG 3.39Å; L310-L314 PolarHBondContact O-N 2.81Å; Q311-L314 PolarHBondContact O-N 2.93Å; S312-L314 PolarHBondContact O-N 3.43Å; L314-I317 PolarHBondContact O-N 2.79Å; L314-D318 WeakPolarHBondContact O-CB 3.45Å; L314-D318 PolarHBondContact O-N 3.06Å; L314-D346 HydrophobicContact CD1-CB 4.37Å; L314-I347 HydrophobicContact CD2-CG1 4.49Å; L314-Q350 HydrophobicContact CD2-CB 3.68Å; L314-Q350 HydrophobicContact CD2-CG 3.97Å
315	S	98.6	Very high	98.5	Very high	35 Å²	35	34.7 Å²	34.7	25%	0.245	19%	0.186	C	C	.	.	H	α-helix	trans	-67.1	-37.1	176.8	58.4	0	0	0	0	112.4	Q311 S312 L313 D318 D319	Q311-S315 WeakPolarHBondContact O-CB 3.44Å; Q311-S315 PolarHBondContact O-N 3.23Å; Q311-S315 PolarHBondContact O-OG 3.29Å; Q311-S315 VanDerWaalsContact O-OG 3.1Å; S312-S315 PolarHBondContact O-N 3.47Å; S312-S315 PolarHBondContact O-OG 3.46Å; L313-S315 PolarHBondContact O-N 3.1Å; S315-D318 PolarHBondContact O-N 3.15Å; S315-D319 WeakPolarHBondContact O-CB 3.49Å; S315-D319 PolarHBondContact O-N 3.4Å
316	V	98.7	Very high	98.6	Very high	6 Å²	6	32.9 Å²	32.9	4%	0.036	17%	0.167	C	C	.	.	H	α-helix	trans	-66.4	-38.7	175.3	175.1	0	0	0	0	111.5	S312 L313 D318 A320 M422 T424 V427 V449	S312-V316 WeakPolarHBondContact O-CG2 3.36Å; S312-V316 PolarHBondContact O-N 3.01Å; L313-V316 PolarHBondContact O-N 2.48Å; V316-D318 VanDerWaalsContact C-N 3.33Å; V316-A320 PolarHBondContact O-N 3.12Å; V316-M422 HydrophobicContact CB-CE 3.64Å; V316-M422 HydrophobicContact CG1-CE 3.36Å; V316-M422 HydrophobicContact CG1-SD 4.48Å; V316-T424 HydrophobicContact CG1-CG2 3.79Å; V316-V427 HydrophobicContact CB-CG1 4.49Å; V316-V427 HydrophobicContact CG1-CB 3.8Å; V316-V427 HydrophobicContact CG1-CG1 3.74Å; V316-V427 HydrophobicContact CG1-CG2 4.46Å; V316-V427 HydrophobicContact CG2-CG1 3.83Å; V316-V449 HydrophobicContact CG2-CG1 4Å
317	I	98.9	Very high	98.6	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.3	-41.1	172.6	-64.2	171.1	0	0	0	110.6	L313 L314 I324 I347 Q350 L351 S354 M422	L313-I317 HydrophobicContact CD2-CD1 3.56Å; L313-I317 HydrophobicContact CD2-CG1 4.43Å; L313-I317 WeakPolarHBondContact O-CG1 3.27Å; L313-I317 PolarHBondContact O-N 3.35Å; L313-I317 VanDerWaalsContact O-N 3.09Å; L314-I317 PolarHBondContact O-N 2.79Å; I317-I324 HydrophobicContact CG2-CD1 3.76Å; I317-I347 HydrophobicContact CD1-CG2 4.08Å; I317-Q350 HydrophobicContact CB-CG 3.95Å; I317-Q350 HydrophobicContact CG2-CB 4.4Å; I317-Q350 HydrophobicContact CG2-CG 3.6Å; I317-L351 HydrophobicContact CD1-CD2 3.89Å; I317-L351 HydrophobicContact CD1-CG 4.26Å; I317-L351 HydrophobicContact CG1-CD2 4.3Å; I317-L351 HydrophobicContact CG2-CD2 4.03Å; I317-S354 WeakPolarHBondContact CG2-OG 3.36Å; I317-M422 HydrophobicContact CD1-SD 4.34Å; I317-M422 HydrophobicContact CG1-CE 3.91Å; I317-M422 HydrophobicContact CG1-SD 3.55Å; I317-M422 VanDerWaalsContact CG1-SD 3.55Å
318	D	98.4	Very high	98.6	Very high	74 Å²	74	31.9 Å²	31.9	40%	0.396	16%	0.163	S	C	.	.	H	α-helix	trans	-67.5	-37.9	-178.1	-159.7	50.3	0	0	0	113.5	L314 S315 V316 A320 Q350 R358	L314-D318 WeakPolarHBondContact O-CB 3.45Å; L314-D318 PolarHBondContact O-N 3.06Å; S315-D318 PolarHBondContact O-N 3.15Å; V316-D318 VanDerWaalsContact C-N 3.33Å; D318-A320 VanDerWaalsContact C-N 3.33Å; D318-A320 PolarHBondContact O-N 3.37Å; D318-Q350 VanDerWaalsContact CB-NE2 3.31Å; D318-Q350 PolarHBondContact OD1-NE2 2.84Å; D318-R358 VanDerWaalsContact O-CZ 3.29Å; D318-R358 PolarHBondContact O-NH2 3.28Å; D318-R358 IonicContact OD1-CZ 3.26Å; D318-R358 IonicContact OD1-NH1 3.79Å; D318-R358 PolarHBondContact OD1-NH1 3.47Å; D318-R358 IonicContact OD1-NH2 2.76Å; D318-R358 PolarHBondContact OD1-NH2 3.46Å
319	D	97.9	Very high	98.5	Very high	70 Å²	70	31 Å²	31	37%	0.374	16%	0.156	S	C	.	.	H	α-helix	trans	-75.8	-15.9	-179.4	-175.3	48.9	0	0	0	113.9	S315 E321 K426	S315-D319 WeakPolarHBondContact O-CB 3.49Å; S315-D319 PolarHBondContact O-N 3.4Å; D319-E321 PolarHBondContact O-N 3.31Å; D319-K426 PolarHBondContact O-NZ 3.01Å; D319-K426 IonicContact OD1-NZ 3.65Å; D319-K426 PolarHBondContact OD1-NZ 2.9Å; D319-K426 WeakPolarHBondContact OD2-CD 3.35Å; D319-K426 IonicContact OD2-NZ 3.83Å
320	A	98.4	Very high	98.4	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.008	16%	0.157	C	C	.	.			trans	-63.2	134.8	178.4	0	0	0	0	0	112.2	V316 D318 I324 V360 T424	V316-A320 PolarHBondContact O-N 3.12Å; D318-A320 VanDerWaalsContact C-N 3.33Å; D318-A320 PolarHBondContact O-N 3.37Å; A320-I324 HydrophobicContact CB-CD1 4.06Å; A320-I324 HydrophobicContact CB-CG1 3.5Å; A320-V360 HydrophobicContact CB-CG1 4.21Å; A320-V360 WeakPolarHBondContact O-CG2 3.48Å; A320-T424 HydrophobicContact CB-CG2 3.81Å
321	E	97.9	Very high	98.3	Very high	133 Å²	133	29.8 Å²	29.8	62%	0.621	15%	0.149	S	C	*	.	S	Bend	trans	-111.2	-32.8	-178.4	-68.8	179.4	-164.6	0	0	112.8	D319 D425 K426	D319-E321 PolarHBondContact O-N 3.31Å; E321-D425 PolarHBondContact N-OD1 2.94Å; E321-D425 PolarHBondContact N-OD2 3.48Å; E321-K426 VanDerWaalsContact CD-NZ 3.28Å; E321-K426 WeakPolarHBondContact OE1-CE 3.13Å; E321-K426 IonicContact OE1-NZ 3.74Å; E321-K426 PolarHBondContact OE1-NZ 3.48Å
322	E	98.1	Very high	98.2	Very high	136 Å²	136	25.4 Å²	25.4	64%	0.636	13%	0.129	S	C	*	.	S	Bend	trans	-112.6	-48.3	-175.1	-58.9	-169.4	166	0	0	112.7	R361 D425	E322-R361 PolarHBondContact O-N 3.19Å; E322-D425 HydrophobicContact CB-CB 3.99Å; E322-D425 HydrophobicContact CG-CB 4.24Å; E322-D425 PolarHBondContact N-OD1 3.49Å
323	F	98.8	Very high	98.1	Very high	10 Å²	10	25.6 Å²	25.6	4%	0.044	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	154.7	-176.9	70	-93	0	0	0	113.8	Y325 R361 T424 D425 K465	F323-Y325 HydrophobicContact CB-CD1 4.15Å; F323-Y325 HydrophobicContact CB-CE1 3.69Å; F323-Y325 AromaticContact CD2-CD1 3.74Å; F323-Y325 HydrophobicContact CD2-CD1 3.74Å; F323-Y325 AromaticContact CD2-CD2 3.62Å; F323-Y325 HydrophobicContact CD2-CD2 3.62Å; F323-Y325 AromaticContact CD2-CE1 3.84Å; F323-Y325 HydrophobicContact CD2-CE1 3.84Å; F323-Y325 AromaticContact CD2-CE2 3.74Å; F323-Y325 HydrophobicContact CD2-CE2 3.74Å; F323-Y325 AromaticContact CD2-CG 3.64Å; F323-Y325 HydrophobicContact CD2-CG 3.64Å; F323-Y325 AromaticContact CD2-CZ 3.87Å; F323-Y325 AromaticContact CE2-CD2 3.79Å; F323-Y325 HydrophobicContact CE2-CD2 3.79Å; F323-Y325 HydrophobicContact CE2-CE2 4.03Å; F323-Y325 HydrophobicContact CE2-CG 4.15Å; F323-Y325 HydrophobicContact CG-CD1 4.32Å; F323-Y325 HydrophobicContact CG-CE1 4.01Å; F323-Y325 HydrophobicContact CG-CE2 4.25Å; F323-R361 CarbonylContact C-O 3.29Å; F323-R361 WeakPolarHBondContact CA-O 3.38Å; F323-R361 HydrophobicContact CB-CB 4.15Å; F323-T424 VanDerWaalsContact CZ-C 3.4Å; F323-T424 WeakPolarHBondContact CZ-O 3.48Å; F323-T424 WeakPolarHBondContact O-CA 3.35Å; F323-T424 WeakPolarHBondContact O-CB 3.35Å; F323-D425 HydrophobicContact CD1-CB 4.05Å; F323-D425 HydrophobicContact CE1-CB 3.75Å; F323-D425 HydrophobicContact CZ-CB 4.36Å; F323-D425 PolarHBondContact N-OD1 3.48Å; F323-K465 HydrophobicContact CE1-CD 4.24Å; F323-K465 HydrophobicContact CE2-CD 4.33Å; F323-K465 HydrophobicContact CE2-CG 4.21Å; F323-K465 HydrophobicContact CZ-CD 3.66Å; F323-K465 HydrophobicContact CZ-CG 4.02Å
324	I	98.9	Very high	98	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	110.7	172.1	-62	151.5	0	0	0	107.4	I317 A320 I326 L351 V360 R361 V362 R363 M422 T424	I317-I324 HydrophobicContact CG2-CD1 3.76Å; A320-I324 HydrophobicContact CB-CD1 4.06Å; A320-I324 HydrophobicContact CB-CG1 3.5Å; I324-I326 HydrophobicContact CG2-CD1 3.74Å; I324-I326 HydrophobicContact CG2-CG1 3.96Å; I324-L351 HydrophobicContact CD1-CD2 4.48Å; I324-L351 HydrophobicContact CG2-CD2 3.92Å; I324-V360 HydrophobicContact CD1-CB 4.33Å; I324-V360 HydrophobicContact CD1-CG1 3.58Å; I324-V360 HydrophobicContact CG1-CG1 3.76Å; I324-R361 PolarHBondContact N-O 3.44Å; I324-V362 HydrophobicContact CB-CG2 4.39Å; I324-V362 HydrophobicContact CD1-CG2 4.07Å; I324-V362 CarbonylContact O-C 3.55Å; I324-V362 WeakPolarHBondContact O-CA 3.29Å; I324-R363 PolarHBondContact O-N 3.2Å; I324-M422 HydrophobicContact CG2-CG 4.19Å; I324-M422 HydrophobicContact CG2-SD 3.7Å; I324-T424 HydrophobicContact CG1-CG2 4.23Å
325	Y	98.9	Very high	97.9	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.016	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	124.7	179.5	-66.7	-8.8	0	0	0	110	F323 R361 R363 M422 V423 K465 F468 E469	F323-Y325 HydrophobicContact CB-CD1 4.15Å; F323-Y325 HydrophobicContact CB-CE1 3.69Å; F323-Y325 AromaticContact CD2-CD1 3.74Å; F323-Y325 HydrophobicContact CD2-CD1 3.74Å; F323-Y325 AromaticContact CD2-CD2 3.62Å; F323-Y325 HydrophobicContact CD2-CD2 3.62Å; F323-Y325 AromaticContact CD2-CE1 3.84Å; F323-Y325 HydrophobicContact CD2-CE1 3.84Å; F323-Y325 AromaticContact CD2-CE2 3.74Å; F323-Y325 HydrophobicContact CD2-CE2 3.74Å; F323-Y325 AromaticContact CD2-CG 3.64Å; F323-Y325 HydrophobicContact CD2-CG 3.64Å; F323-Y325 AromaticContact CD2-CZ 3.87Å; F323-Y325 AromaticContact CE2-CD2 3.79Å; F323-Y325 HydrophobicContact CE2-CD2 3.79Å; F323-Y325 HydrophobicContact CE2-CE2 4.03Å; F323-Y325 HydrophobicContact CE2-CG 4.15Å; F323-Y325 HydrophobicContact CG-CD1 4.32Å; F323-Y325 HydrophobicContact CG-CE1 4.01Å; F323-Y325 HydrophobicContact CG-CE2 4.25Å; Y325-R361 HydrophobicContact CE1-CG 4.16Å; Y325-R363 WeakPolarHBondContact CA-O 3.22Å; Y325-R363 HydrophobicContact CD1-CB 3.62Å; Y325-R363 HydrophobicContact CD1-CG 3.88Å; Y325-R363 HydrophobicContact CE1-CB 3.98Å; Y325-R363 VanDerWaalsContact CE1-CD 3.47Å; Y325-R363 HydrophobicContact CE1-CG 3.68Å; Y325-R363 HydrophobicContact CG-CB 4.42Å; Y325-R363 PolarHBondContact OH-NH1 2.69Å; Y325-M422 CarbonylContact O-C 3.57Å; Y325-M422 VanDerWaalsContact O-CA 3.26Å; Y325-M422 WeakPolarHBondContact O-CA 3.23Å; Y325-V423 HydrophobicContact CD2-CG1 4.37Å; Y325-V423 PolarHBondContact N-O 3.07Å; Y325-V423 PolarHBondContact O-N 3.42Å; Y325-K465 HydrophobicContact CD2-CG 4.36Å; Y325-K465 HydrophobicContact CE2-CG 4.34Å; Y325-F468 HydrophobicContact CD1-CE1 4.02Å; Y325-F468 HydrophobicContact CD1-CZ 4.48Å; Y325-F468 AromaticContact CD2-CD1 3.3Å; Y325-F468 HydrophobicContact CD2-CD1 3.3Å; Y325-F468 AromaticContact CD2-CE1 3.62Å; Y325-F468 HydrophobicContact CD2-CE1 3.62Å; Y325-F468 HydrophobicContact CD2-CG 4.04Å; Y325-F468 HydrophobicContact CE2-CD1 4.02Å; Y325-F468 HydrophobicContact CE2-CE1 4.23Å; Y325-F468 AromaticContact CG-CD1 3.59Å; Y325-F468 HydrophobicContact CG-CD1 3.59Å; Y325-F468 AromaticContact CG-CE1 3.48Å; Y325-F468 HydrophobicContact CG-CE1 3.48Å; Y325-F468 VanDerWaalsContact CG-CE1 3.48Å; Y325-F468 HydrophobicContact CG-CG 4.22Å; Y325-F468 HydrophobicContact CG-CZ 4.03Å; Y325-E469 HydrophobicContact CE2-CG 4.16Å; Y325-E469 WeakPolarHBondContact CE2-OE1 3.33Å; Y325-E469 PolarHBondContact OH-OE1 3.36Å
326	I	98.9	Very high	97.6	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	127.7	-171	-63.8	157.7	0	0	0	109.2	I324 V328 L351 R363 L364 L365 M422 W435 F468	I324-I326 HydrophobicContact CG2-CD1 3.74Å; I324-I326 HydrophobicContact CG2-CG1 3.96Å; I326-V328 HydrophobicContact CG2-CG1 3.74Å; I326-V328 HydrophobicContact CG2-CG2 4.16Å; I326-L351 HydrophobicContact CD1-CD1 3.99Å; I326-L351 HydrophobicContact CD1-CD2 3.68Å; I326-L351 HydrophobicContact CD1-CG 4.48Å; I326-R363 PolarHBondContact N-O 3.02Å; I326-L364 HydrophobicContact CB-CG 4.31Å; I326-L364 HydrophobicContact CD1-CD1 4.38Å; I326-L364 HydrophobicContact CD1-CG 4.27Å; I326-L364 WeakPolarHBondContact O-CA 3.43Å; I326-L365 PolarHBondContact O-N 3.15Å; I326-M422 HydrophobicContact CD1-SD 4.42Å; I326-M422 HydrophobicContact CG1-CB 4.09Å; I326-M422 HydrophobicContact CG1-CG 3.83Å; I326-M422 HydrophobicContact CG1-SD 4.08Å; I326-W435 HydrophobicContact CB-CH2 4.29Å; I326-W435 HydrophobicContact CB-CZ3 4.32Å; I326-W435 HydrophobicContact CD1-CE3 4.4Å; I326-W435 HydrophobicContact CD1-CH2 3.75Å; I326-W435 HydrophobicContact CD1-CZ3 3.38Å; I326-W435 HydrophobicContact CG1-CH2 3.61Å; I326-W435 HydrophobicContact CG1-CZ3 3.75Å; I326-W435 HydrophobicContact CG2-CD2 4.31Å; I326-W435 HydrophobicContact CG2-CE3 3.9Å; I326-W435 HydrophobicContact CG2-CH2 3.66Å; I326-W435 HydrophobicContact CG2-CZ2 4.03Å; I326-W435 HydrophobicContact CG2-CZ3 3.6Å; I326-F468 WeakPolarHBondContact O-CE2 3.25Å
327	A	98.8	Very high	97.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	110.4	170.4	0	0	0	0	0	110	L365 N419 Y421 F468	A327-L365 WeakPolarHBondContact CA-O 3.44Å; A327-L365 HydrophobicContact CB-CB 4.37Å; A327-N419 HydrophobicContact CB-CB 4.31Å; A327-N419 CarbonylContact O-C 3.58Å; A327-Y421 HydrophobicContact CB-CD1 4.06Å; A327-Y421 HydrophobicContact CB-CE1 3.5Å; A327-Y421 HydrophobicContact CB-CE2 3.96Å; A327-Y421 VanDerWaalsContact CB-CZ 3.42Å; A327-Y421 PolarHBondContact N-O 3.48Å; A327-Y421 PolarHBondContact O-N 3.49Å; A327-Y421 VanDerWaalsContact O-N 3.08Å; A327-F468 HydrophobicContact CB-CD2 4.25Å; A327-F468 HydrophobicContact CB-CE2 4.45Å
328	V	98.4	Very high	96.8	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.9	-177.4	-61.4	0	0	0	0	111.1	I326 L365 I366 S367 N419 W435	I326-V328 HydrophobicContact CG2-CG1 3.74Å; I326-V328 HydrophobicContact CG2-CG2 4.16Å; V328-L365 PolarHBondContact N-O 3Å; V328-I366 HydrophobicContact CG2-CD1 3.45Å; V328-I366 VanDerWaalsContact CG2-CD1 3.45Å; V328-I366 WeakPolarHBondContact O-CA 3.3Å; V328-S367 PolarHBondContact O-N 3.28Å; V328-N419 VanDerWaalsContact CA-O 3.27Å; V328-N419 WeakPolarHBondContact CA-O 3.49Å; V328-W435 HydrophobicContact CB-CG 4.41Å; V328-W435 HydrophobicContact CG1-CD2 3.76Å; V328-W435 HydrophobicContact CG1-CG 3.75Å; V328-W435 HydrophobicContact CG1-CZ2 4.3Å; V328-W435 HydrophobicContact CG2-CB 4.44Å; V328-W435 HydrophobicContact CG2-CG 4.41Å
329	M	97.9	Very high	96.3	Very high	16 Å²	16	35.6 Å²	35.6	8%	0.079	17%	0.169	C	C	.	.	S	Bend	trans	-61.6	-56.8	174.4	177.7	-152.1	180	0	0	111.9	S367 W369 V416 N417 H418 N419 N434	M329-S367 WeakPolarHBondContact O-CB 3.28Å; M329-S367 PolarHBondContact O-N 2.8Å; M329-W369 HydrophobicContact CE-CH2 3.78Å; M329-W369 HydrophobicContact CE-CZ2 2.97Å; M329-V416 HydrophobicContact CG-CG2 4.19Å; M329-N417 WeakPolarHBondContact CA-O 3.28Å; M329-N417 WeakPolarHBondContact CB-O 3.32Å; M329-H418 PolarHBondContact SD-CD2 2.83Å; M329-N419 PolarHBondContact N-O 2.86Å; M329-N419 VanDerWaalsContact N-O 3.14Å; M329-N434 WeakPolarHBondContact CB-OD1 3.14Å
330	N	96	Very high	96	Very high	6 Å²	6	36.2 Å²	36.2	3%	0.032	18%	0.177	C	C	.	.			trans	-122.2	137.7	179.1	-74.2	-2.1	0	0	0	110.1	L332 M376 N434 W435	N330-L332 HydrophobicContact CB-CD1 3.98Å; N330-M376 HydrophobicContact CB-SD 4.5Å; N330-N434 HydrophobicContact CB-CB 4.26Å; N330-W435 PolarHBondContact O-N 3.16Å
331	Y	97.2	Very high	95.7	Very high	3 Å²	3	42.2 Å²	42.2	1%	0.012	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-131.7	111.2	172	175	-91.9	0	0	0	109.9	I347 D348 L351 L364 I366 M376 L380 L383 W435	Y331-I347 HydrophobicContact CE2-CG2 3.97Å; Y331-D348 WeakPolarHBondContact OH-CA 3.01Å; Y331-D348 WeakPolarHBondContact OH-CB 3.3Å; Y331-D348 PolarHBondContact OH-N 3.17Å; Y331-D348 PolarHBondContact OH-OD1 2.89Å; Y331-L351 HydrophobicContact CE2-CD1 4.14Å; Y331-L364 HydrophobicContact CD1-CD2 4.23Å; Y331-L364 HydrophobicContact CD2-CD2 4.16Å; Y331-L364 HydrophobicContact CE1-CD2 4.26Å; Y331-L364 HydrophobicContact CE2-CD2 4.2Å; Y331-L364 HydrophobicContact CG-CD2 4.17Å; Y331-I366 HydrophobicContact CG-CD1 4.5Å; Y331-M376 PolarHBondContact N-SD 3.33Å; Y331-M376 VanDerWaalsContact O-CG 3.26Å; Y331-M376 WeakPolarHBondContact O-CG 3.34Å; Y331-L380 HydrophobicContact CD1-CD2 3.64Å; Y331-L380 HydrophobicContact CE1-CD2 4.45Å; Y331-L380 HydrophobicContact CG-CD2 4.36Å; Y331-L383 HydrophobicContact CE1-CD2 4.2Å; Y331-W435 CarbonylContact C-O 3.52Å; Y331-W435 WeakPolarHBondContact CA-O 3.37Å; Y331-W435 HydrophobicContact CD2-CB 3.95Å; Y331-W435 HydrophobicContact CD2-CE3 4.06Å; Y331-W435 HydrophobicContact CE2-CE3 4.21Å
332	L	95.6	Very high	95.5	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	20%	0.202	C	C	.	.			trans	-139.4	124.5	178.9	-68.5	96.6	0	0	0	110.8	N330 T334 E336 P373 V375 M376 W435 S436	N330-L332 HydrophobicContact CB-CD1 3.98Å; L332-T334 PolarHBondContact O-N 3.32Å; L332-E336 HydrophobicContact CD1-CG 4.28Å; L332-E336 HydrophobicContact CD2-CG 4.35Å; L332-P373 HydrophobicContact CD1-CG 4.26Å; L332-P373 HydrophobicContact CD2-CB 4.23Å; L332-V375 HydrophobicContact CD2-CG1 3.65Å; L332-M376 HydrophobicContact CD1-CB 4.22Å; L332-M376 HydrophobicContact CD1-CG 4.28Å; L332-M376 HydrophobicContact CD1-SD 4.07Å; L332-M376 HydrophobicContact CD2-CB 4.17Å; L332-M376 HydrophobicContact CG-CB 4.04Å; L332-M376 HydrophobicContact CG-CG 4.24Å; L332-W435 PolarHBondContact N-O 3.11Å; L332-S436 WeakPolarHBondContact O-CA 3.43Å
333	P	97.1	Very high	95.5	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.019	20%	0.2	C	C	.	.	S	Bend	trans	-77.6	47.5	171.7	34.2	-36.2	0	0	0	111.8	Y343 W344 D348 F379	P333-Y343 HydrophobicContact CB-CE2 4Å; P333-Y343 HydrophobicContact CG-CE2 4.1Å; P333-Y343 WeakPolarHBondContact O-CD2 3.39Å; P333-Y343 WeakPolarHBondContact O-CE2 3.04Å; P333-W344 CarbonylContact C-O 3.59Å; P333-W344 WeakPolarHBondContact CA-O 3.47Å; P333-W344 CarbonylContact O-C 3.49Å; P333-W344 PolarHBondContact O-N 3.02Å; P333-D348 HydrophobicContact CB-CB 3.86Å; P333-D348 HydrophobicContact CG-CB 4.5Å; P333-F379 HydrophobicContact CG-CB 4Å; P333-F379 HydrophobicContact CG-CD1 3.34Å; P333-F379 HydrophobicContact CG-CD2 4.08Å; P333-F379 HydrophobicContact CG-CE1 3.71Å; P333-F379 HydrophobicContact CG-CE2 4.38Å; P333-F379 HydrophobicContact CG-CG 3.55Å; P333-F379 HydrophobicContact CG-CZ 4.22Å
334	T	96.9	Very high	95.4	Very high	22 Å²	22	44.9 Å²	44.9	14%	0.135	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-148.3	166.2	-179.5	60.4	0	0	0	0	110.5	L332 R342 Y343 F379 G437	L332-T334 PolarHBondContact O-N 3.32Å; T334-R342 CarbonylContact C-O 3.57Å; T334-R342 WeakPolarHBondContact CA-O 3.37Å; T334-R342 WeakPolarHBondContact CB-O 3.17Å; T334-Y343 HydrophobicContact CG2-CD2 4.24Å; T334-F379 HydrophobicContact CG2-CE2 3.74Å; T334-F379 HydrophobicContact CG2-CZ 3.67Å; T334-G437 PolarHBondContact O-N 2.91Å
335	T	95.4	Very high	95.4	Very high	6 Å²	6	45.7 Å²	45.7	4%	0.037	21%	0.209	C	C	.	.			trans	-77.1	135.9	156.5	65.1	0	0	0	0	109.9	K341 R342 D438 L441	T335-K341 WeakPolarHBondContact OG1-CA 3.35Å; T335-R342 HydrophobicContact CG2-CB 4.32Å; T335-R342 PolarHBondContact N-O 3.23Å; T335-R342 PolarHBondContact OG1-N 3.43Å; T335-D438 VanDerWaalsContact CA-OD2 3.28Å; T335-D438 WeakPolarHBondContact CA-OD2 3.34Å; T335-D438 WeakPolarHBondContact CB-OD2 3.03Å; T335-L441 HydrophobicContact CG2-CD1 4.41Å
336	E	91.9	Very high	95.3	Very high	19 Å²	19	48.8 Å²	48.8	9%	0.089	23%	0.226	C	C	.	.	S	Bend	trans	-92.7	-43.2	177.3	-67.8	-170.9	-106.2	0	0	112.6	L332 K341 S436 D438	L332-E336 HydrophobicContact CD1-CG 4.28Å; L332-E336 HydrophobicContact CD2-CG 4.35Å; E336-K341 WeakPolarHBondContact O-CE 3.45Å; E336-K341 PolarHBondContact O-NZ 3.39Å; E336-S436 WeakPolarHBondContact OE1-CB 3.4Å; E336-S436 PolarHBondContact OE1-OG 2.96Å; E336-D438 WeakPolarHBondContact CA-OD2 3.03Å; E336-D438 PolarHBondContact N-OD2 3.48Å
337	Y	91.7	Very high	95.3	Very high	124 Å²	124	49 Å²	49	49%	0.486	23%	0.227	S	C	.	.	S	Bend	trans	-109	-31.2	-167.9	-50.1	-66.2	0	0	0	113.3	H339 D438 Y439	Y337-H339 PolarHBondContact O-CD2 3.4Å; Y337-D438 HydrophobicContact CD2-CB 3.9Å; Y337-D438 PolarHBondContact N-OD2 3.4Å; Y337-Y439 AromaticContact CE2-CE2 3.64Å; Y337-Y439 HydrophobicContact CE2-CE2 3.64Å; Y337-Y439 AromaticContact CE2-CZ 3.93Å; Y337-Y439 PolarHBondContact OH-OH 2.85Å; Y337-Y439 VanDerWaalsContact OH-OH 3.09Å
338	T	89.1	Confident	95.3	Very high	42 Å²	42	49.2 Å²	49.2	26%	0.258	23%	0.228	S	C	.	.	S	Bend	trans	-70.4	136.2	176.4	-61.6	0	0	0	0	111.6	P340 K341 D438 N442	T338-P340 CarbonylContact O-C 3.45Å; T338-K341 WeakPolarHBondContact O-CA 3.18Å; T338-K341 PolarHBondContact O-N 3.01Å; T338-D438 WeakPolarHBondContact CB-OD1 3.48Å; T338-D438 PolarHBondContact N-OD1 2.94Å; T338-D438 PolarHBondContact OG1-OD1 3.38Å; T338-N442 PolarHBondContact OG1-ND2 3.04Å
339	H	88.1	Confident	95.3	Very high	151 Å²	151	53 Å²	53	70%	0.699	25%	0.251	S	S	*	.	S	Bend	trans	-112.4	135	175.1	-68.2	-70.9	0	0	0	112	Y337	Y337-H339 PolarHBondContact O-CD2 3.4Å
340	P	91.8	Very high	95.4	Very high	82 Å²	82	53.4 Å²	53.4	53%	0.532	25%	0.253	S	S	.	.	S	Bend	cis	-68.7	147.6	-5.4	30.8	-35.8	0	0	0	111.8	T338 R342	T338-P340 CarbonylContact O-C 3.45Å; P340-R342 PolarHBondContact O-N 3.29Å
341	K	92.5	Very high	95.5	Very high	128 Å²	128	53.2 Å²	53.2	56%	0.557	25%	0.252	S	S	*	.			trans	-60.4	136.4	176.6	-67.8	-173.1	178.3	-167.5	0	110.2	T335 E336 T338	T335-K341 WeakPolarHBondContact OG1-CA 3.35Å; E336-K341 WeakPolarHBondContact O-CE 3.45Å; E336-K341 PolarHBondContact O-NZ 3.39Å; T338-K341 WeakPolarHBondContact O-CA 3.18Å; T338-K341 PolarHBondContact O-N 3.01Å
342	R	94.6	Very high	95.6	Very high	160 Å²	160	55.9 Å²	55.9	60%	0.604	26%	0.262	S	S	*	.			trans	-118.8	146.7	-178.2	-59.7	-58.8	-173.3	172.8	0.9	110.7	T334 T335 P340	T334-R342 CarbonylContact C-O 3.57Å; T334-R342 WeakPolarHBondContact CA-O 3.37Å; T334-R342 WeakPolarHBondContact CB-O 3.17Å; T335-R342 HydrophobicContact CG2-CB 4.32Å; T335-R342 PolarHBondContact N-O 3.23Å; T335-R342 PolarHBondContact OG1-N 3.43Å; P340-R342 PolarHBondContact O-N 3.29Å
343	Y	97.1	Very high	95.7	Very high	149 Å²	149	61.3 Å²	61.3	58%	0.584	28%	0.282	S	S	*	.	B	Isolated β-bridge	trans	-71.9	131.1	164	-174.6	-120.9	0	0	0	108.6	P333 T334 A345 F379	P333-Y343 HydrophobicContact CB-CE2 4Å; P333-Y343 HydrophobicContact CG-CE2 4.1Å; P333-Y343 WeakPolarHBondContact O-CD2 3.39Å; P333-Y343 WeakPolarHBondContact O-CE2 3.04Å; T334-Y343 HydrophobicContact CG2-CD2 4.24Å; Y343-A345 HydrophobicContact CD1-CB 4.24Å; Y343-A345 HydrophobicContact CE1-CB 3.52Å; Y343-A345 HydrophobicContact CE2-CB 4.27Å; Y343-A345 WeakPolarHBondContact OH-CB 3.46Å; Y343-F379 HydrophobicContact CD2-CE1 4.43Å; Y343-F379 AromaticContact CE2-CE1 4Å; Y343-F379 HydrophobicContact CE2-CE1 4Å
344	W	97.5	Very high	95.8	Very high	25 Å²	25	61.2 Å²	61.2	10%	0.095	28%	0.281	C	S	.	.			trans	-142.7	94.6	-172.9	179.3	80.3	0	0	0	108	L310 P333 D346 I347 F440	L310-W344 HydrophobicContact CD1-CH2 3.57Å; L310-W344 HydrophobicContact CD1-CZ2 3.52Å; L310-W344 HydrophobicContact CD2-CZ2 3.68Å; L310-W344 HydrophobicContact CG-CZ2 4.21Å; P333-W344 CarbonylContact C-O 3.59Å; P333-W344 WeakPolarHBondContact CA-O 3.47Å; P333-W344 CarbonylContact O-C 3.49Å; P333-W344 PolarHBondContact O-N 3.02Å; W344-D346 VanDerWaalsContact CD1-OD2 3.31Å; W344-D346 VanDerWaalsContact CE2-OD2 3.28Å; W344-D346 HydrophobicContact CH2-CB 4.43Å; W344-D346 HydrophobicContact CZ2-CB 4.03Å; W344-D346 PolarHBondContact NE1-OD2 3.36Å; W344-I347 HydrophobicContact CH2-CD1 3.82Å; W344-I347 HydrophobicContact CH2-CG1 3.8Å; W344-I347 HydrophobicContact CZ3-CD1 3.93Å; W344-I347 HydrophobicContact CZ3-CG1 3.99Å; W344-F440 HydrophobicContact CH2-CB 4.43Å; W344-F440 AromaticContact CH2-CD2 3.39Å; W344-F440 HydrophobicContact CH2-CD2 3.39Å; W344-F440 AromaticContact CH2-CE2 3.91Å; W344-F440 HydrophobicContact CH2-CE2 3.91Å; W344-F440 HydrophobicContact CH2-CG 4.1Å; W344-F440 HydrophobicContact CZ2-CB 4.26Å; W344-F440 HydrophobicContact CZ2-CD2 4.05Å; W344-F440 HydrophobicContact CZ2-CG 4.39Å; W344-F440 HydrophobicContact CZ3-CD2 4.06Å; W344-F440 HydrophobicContact CZ3-CE2 4.36Å
345	A	97.2	Very high	95.8	Very high	17 Å²	17	60.1 Å²	60.1	14%	0.14	28%	0.275	C	S	.	.			trans	-104.5	9	-160.2	0	0	0	0	0	114.2	Y343 I347 D348 T349	Y343-A345 HydrophobicContact CD1-CB 4.24Å; Y343-A345 HydrophobicContact CE1-CB 3.52Å; Y343-A345 HydrophobicContact CE2-CB 4.27Å; Y343-A345 WeakPolarHBondContact OH-CB 3.46Å; A345-I347 PolarHBondContact O-N 3.32Å; A345-D348 PolarHBondContact O-N 2.7Å; A345-T349 VanDerWaalsContact O-CB 3.23Å; A345-T349 WeakPolarHBondContact O-CB 3.45Å; A345-T349 PolarHBondContact O-N 2.95Å; A345-T349 PolarHBondContact O-OG1 3.44Å
346	D	98.2	Very high	96	Very high	69 Å²	69	67.1 Å²	67.1	37%	0.369	30%	0.302	S	S	.	.	H	α-helix	trans	-54.4	-50.6	-168.5	-63.3	-93.1	0	0	0	112.5	L310 L314 W344 Q350	L310-D346 HydrophobicContact CD1-CB 4.34Å; L314-D346 HydrophobicContact CD1-CB 4.37Å; W344-D346 VanDerWaalsContact CD1-OD2 3.31Å; W344-D346 VanDerWaalsContact CE2-OD2 3.28Å; W344-D346 HydrophobicContact CH2-CB 4.43Å; W344-D346 HydrophobicContact CZ2-CB 4.03Å; W344-D346 PolarHBondContact NE1-OD2 3.36Å; D346-Q350 WeakPolarHBondContact O-CB 3.48Å; D346-Q350 PolarHBondContact O-N 2.86Å; D346-Q350 VanDerWaalsContact O-N 3.12Å
347	I	98.6	Very high	96.3	Very high	4 Å²	4	71.5 Å²	71.5	2%	0.021	32%	0.322	C	S	.	.	H	α-helix	trans	-69	-45.8	178.9	-54.1	-179.3	0	0	0	111.5	L310 L313 L314 I317 Y331 W344 A345 T349 Q350 L351 W435 F440	L310-I347 HydrophobicContact CD1-CG1 4.16Å; L313-I347 HydrophobicContact CD1-CD1 4Å; L313-I347 HydrophobicContact CD2-CB 4.48Å; L313-I347 HydrophobicContact CD2-CD1 3.78Å; L313-I347 HydrophobicContact CD2-CG1 3.75Å; L313-I347 HydrophobicContact CD2-CG2 4.06Å; L314-I347 HydrophobicContact CD2-CG1 4.49Å; I317-I347 HydrophobicContact CD1-CG2 4.08Å; Y331-I347 HydrophobicContact CE2-CG2 3.97Å; W344-I347 HydrophobicContact CH2-CD1 3.82Å; W344-I347 HydrophobicContact CH2-CG1 3.8Å; W344-I347 HydrophobicContact CZ3-CD1 3.93Å; W344-I347 HydrophobicContact CZ3-CG1 3.99Å; A345-I347 PolarHBondContact O-N 3.32Å; I347-T349 VanDerWaalsContact C-N 3.34Å; I347-T349 PolarHBondContact O-N 3.24Å; I347-Q350 PolarHBondContact O-N 2.65Å; I347-L351 HydrophobicContact CG2-CD1 4.05Å; I347-L351 HydrophobicContact CG2-CG 4.31Å; I347-L351 VanDerWaalsContact O-CG 3.32Å; I347-L351 WeakPolarHBondContact O-CG 3.35Å; I347-L351 PolarHBondContact O-N 3.06Å; I347-W435 HydrophobicContact CD1-CB 4.3Å; I347-W435 HydrophobicContact CD1-CD2 4.27Å; I347-W435 HydrophobicContact CD1-CE3 4.14Å; I347-W435 HydrophobicContact CD1-CG 4.34Å; I347-W435 HydrophobicContact CG2-CE3 3.76Å; I347-W435 HydrophobicContact CG2-CZ3 3.81Å; I347-F440 HydrophobicContact CD1-CD2 4.46Å; I347-F440 HydrophobicContact CD1-CE2 3.64Å; I347-F440 HydrophobicContact CD1-CZ 3.88Å
348	D	98.6	Very high	96.6	Very high	6 Å²	6	69.7 Å²	69.7	3%	0.032	31%	0.314	C	S	.	.	H	α-helix	trans	-61.1	-42.8	-179.8	-177.7	85.4	0	0	0	111.9	Y331 P333 A345 L351 R352	Y331-D348 WeakPolarHBondContact OH-CA 3.01Å; Y331-D348 WeakPolarHBondContact OH-CB 3.3Å; Y331-D348 PolarHBondContact OH-N 3.17Å; Y331-D348 PolarHBondContact OH-OD1 2.89Å; P333-D348 HydrophobicContact CB-CB 3.86Å; P333-D348 HydrophobicContact CG-CB 4.5Å; A345-D348 PolarHBondContact O-N 2.7Å; D348-L351 PolarHBondContact O-N 3.2Å; D348-R352 VanDerWaalsContact O-CG 3.29Å; D348-R352 WeakPolarHBondContact O-CG 3.42Å; D348-R352 PolarHBondContact O-N 3.05Å; D348-R352 IonicContact OD1-CZ 3.26Å; D348-R352 IonicContact OD1-NE 3.67Å; D348-R352 PolarHBondContact OD1-NE 3.05Å; D348-R352 IonicContact OD1-NH2 2.71Å; D348-R352 PolarHBondContact OD1-NH2 2.93Å; D348-R352 IonicContact OD2-CZ 3.89Å; D348-R352 IonicContact OD2-NE 3.48Å; D348-R352 PolarHBondContact OD2-NE 3.45Å; D348-R352 IonicContact OD2-NH2 3.31Å; D348-R352 PolarHBondContact OD2-NH2 2.87Å
349	T	98.6	Very high	97	Very high	78 Å²	78	72.2 Å²	72.2	48%	0.479	32%	0.322	S	S	.	.	H	α-helix	trans	-60.9	-47.6	175.7	-58.3	0	0	0	0	110.4	A345 I347 L351 R352 R353	A345-T349 VanDerWaalsContact O-CB 3.23Å; A345-T349 WeakPolarHBondContact O-CB 3.45Å; A345-T349 PolarHBondContact O-N 2.95Å; A345-T349 PolarHBondContact O-OG1 3.44Å; I347-T349 VanDerWaalsContact C-N 3.34Å; I347-T349 PolarHBondContact O-N 3.24Å; T349-L351 PolarHBondContact O-N 3Å; T349-R352 PolarHBondContact O-N 2.86Å; T349-R353 VanDerWaalsContact O-CB 3.24Å; T349-R353 WeakPolarHBondContact O-CB 2.84Å; T349-R353 PolarHBondContact O-N 3.08Å
350	Q	98.8	Very high	97.5	Very high	26 Å²	26	65 Å²	65	12%	0.121	29%	0.289	C	S	.	.	H	α-helix	trans	-68	-36.1	-177.5	-170.8	59.7	19.3	0	0	112.6	L314 I317 D318 D346 I347 R353 S354	L314-Q350 HydrophobicContact CD2-CB 3.68Å; L314-Q350 HydrophobicContact CD2-CG 3.97Å; I317-Q350 HydrophobicContact CB-CG 3.95Å; I317-Q350 HydrophobicContact CG2-CB 4.4Å; I317-Q350 HydrophobicContact CG2-CG 3.6Å; D318-Q350 VanDerWaalsContact CB-NE2 3.31Å; D318-Q350 PolarHBondContact OD1-NE2 2.84Å; D346-Q350 WeakPolarHBondContact O-CB 3.48Å; D346-Q350 PolarHBondContact O-N 2.86Å; D346-Q350 VanDerWaalsContact O-N 3.12Å; I347-Q350 PolarHBondContact O-N 2.65Å; Q350-R353 PolarHBondContact O-N 3.08Å; Q350-S354 WeakPolarHBondContact O-CB 3.25Å; Q350-S354 PolarHBondContact O-N 3.38Å; Q350-S354 PolarHBondContact O-OG 2.77Å
351	L	98.8	Very high	97.9	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-64.9	-48	173.4	-69.2	174.2	0	0	0	111.9	I317 I324 I326 Y331 I347 D348 T349 R353 S354 A355 V362 L364 L383	I317-L351 HydrophobicContact CD1-CD2 3.89Å; I317-L351 HydrophobicContact CD1-CG 4.26Å; I317-L351 HydrophobicContact CG1-CD2 4.3Å; I317-L351 HydrophobicContact CG2-CD2 4.03Å; I324-L351 HydrophobicContact CD1-CD2 4.48Å; I324-L351 HydrophobicContact CG2-CD2 3.92Å; I326-L351 HydrophobicContact CD1-CD1 3.99Å; I326-L351 HydrophobicContact CD1-CD2 3.68Å; I326-L351 HydrophobicContact CD1-CG 4.48Å; Y331-L351 HydrophobicContact CE2-CD1 4.14Å; I347-L351 HydrophobicContact CG2-CD1 4.05Å; I347-L351 HydrophobicContact CG2-CG 4.31Å; I347-L351 VanDerWaalsContact O-CG 3.32Å; I347-L351 WeakPolarHBondContact O-CG 3.35Å; I347-L351 PolarHBondContact O-N 3.06Å; D348-L351 PolarHBondContact O-N 3.2Å; T349-L351 PolarHBondContact O-N 3Å; L351-R353 VanDerWaalsContact C-N 3.3Å; L351-R353 PolarHBondContact O-N 3.36Å; L351-S354 PolarHBondContact O-N 3.02Å; L351-A355 WeakPolarHBondContact O-CB 3.42Å; L351-A355 PolarHBondContact O-N 2.79Å; L351-V362 HydrophobicContact CD2-CG1 4.11Å; L351-L364 HydrophobicContact CD1-CD1 4.39Å; L351-L364 HydrophobicContact CD1-CD2 4.39Å; L351-L383 HydrophobicContact CD1-CD2 4.34Å
352	R	98.6	Very high	98.2	Very high	59 Å²	59	59.7 Å²	59.7	22%	0.223	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-42	176.8	-70.6	177.4	-165.5	-83.1	-9.2	111.5	D348 T349 A355 Y356 S382 L383 V386	D348-R352 VanDerWaalsContact O-CG 3.29Å; D348-R352 WeakPolarHBondContact O-CG 3.42Å; D348-R352 PolarHBondContact O-N 3.05Å; D348-R352 IonicContact OD1-CZ 3.26Å; D348-R352 IonicContact OD1-NE 3.67Å; D348-R352 PolarHBondContact OD1-NE 3.05Å; D348-R352 IonicContact OD1-NH2 2.71Å; D348-R352 PolarHBondContact OD1-NH2 2.93Å; D348-R352 IonicContact OD2-CZ 3.89Å; D348-R352 IonicContact OD2-NE 3.48Å; D348-R352 PolarHBondContact OD2-NE 3.45Å; D348-R352 IonicContact OD2-NH2 3.31Å; D348-R352 PolarHBondContact OD2-NH2 2.87Å; T349-R352 PolarHBondContact O-N 2.86Å; R352-A355 PolarHBondContact O-N 3.31Å; R352-Y356 VanDerWaalsContact O-CB 3.23Å; R352-Y356 WeakPolarHBondContact O-CB 3.44Å; R352-Y356 PolarHBondContact O-N 2.93Å; R352-S382 PolarHBondContact NH1-O 3.43Å; R352-S382 PolarHBondContact NH2-O 2.83Å; R352-S382 PolarHBondContact NH2-OG 3.31Å; R352-L383 HydrophobicContact CG-CD1 3.83Å; R352-V386 HydrophobicContact CG-CG2 4.43Å
353	R	98.6	Very high	98.4	Very high	117 Å²	117	53.4 Å²	53.4	44%	0.442	23%	0.231	S	C	.	.	H	α-helix	trans	-60.2	-50.1	177.1	-172.3	-179.3	-179.2	-173.8	-3.2	111.4	T349 Q350 L351 A355 Y356 E357	T349-R353 VanDerWaalsContact O-CB 3.24Å; T349-R353 WeakPolarHBondContact O-CB 2.84Å; T349-R353 PolarHBondContact O-N 3.08Å; Q350-R353 PolarHBondContact O-N 3.08Å; L351-R353 VanDerWaalsContact C-N 3.3Å; L351-R353 PolarHBondContact O-N 3.36Å; R353-A355 VanDerWaalsContact C-N 3.35Å; R353-A355 PolarHBondContact O-N 3.22Å; R353-Y356 PolarHBondContact O-N 2.91Å; R353-E357 HydrophobicContact CG-CG 4.03Å; R353-E357 WeakPolarHBondContact CG-OE1 3.44Å; R353-E357 WeakPolarHBondContact CG-OE2 3.23Å; R353-E357 IonicContact CZ-OE2 3.42Å; R353-E357 IonicContact NE-OE1 2.87Å; R353-E357 PolarHBondContact NE-OE1 3.46Å; R353-E357 IonicContact NE-OE2 3.44Å; R353-E357 PolarHBondContact NE-OE2 3.27Å; R353-E357 IonicContact NH2-OE2 2.73Å; R353-E357 PolarHBondContact NH2-OE2 2.67Å; R353-E357 WeakPolarHBondContact O-CB 3.3Å; R353-E357 PolarHBondContact O-N 3.26Å
354	S	98.6	Very high	98.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.9	-44.7	179.8	-54.7	0	0	0	0	111.8	I317 Q350 L351 R358 K359 V360	I317-S354 WeakPolarHBondContact CG2-OG 3.36Å; Q350-S354 WeakPolarHBondContact O-CB 3.25Å; Q350-S354 PolarHBondContact O-N 3.38Å; Q350-S354 PolarHBondContact O-OG 2.77Å; L351-S354 PolarHBondContact O-N 3.02Å; S354-R358 CarbonylContact O-C 3.58Å; S354-R358 WeakPolarHBondContact O-CB 3.45Å; S354-R358 PolarHBondContact O-N 2.94Å; S354-R358 PolarHBondContact OG-NH2 3.41Å; S354-K359 PolarHBondContact O-N 2.98Å; S354-V360 PolarHBondContact O-N 3.44Å
355	A	98.4	Very high	98.5	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-41.7	176.1	0	0	0	0	0	112.7	L351 R352 R353 K359 V362 L393 V395	L351-A355 WeakPolarHBondContact O-CB 3.42Å; L351-A355 PolarHBondContact O-N 2.79Å; R352-A355 PolarHBondContact O-N 3.31Å; R353-A355 VanDerWaalsContact C-N 3.35Å; R353-A355 PolarHBondContact O-N 3.22Å; A355-K359 VanDerWaalsContact O-CA 3.26Å; A355-K359 WeakPolarHBondContact O-CA 3.43Å; A355-K359 PolarHBondContact O-N 3.48Å; A355-V362 HydrophobicContact CB-CG2 4.1Å; A355-L393 WeakPolarHBondContact O-CD2 3.32Å; A355-V395 HydrophobicContact CB-CG2 3.45Å; A355-V395 VanDerWaalsContact CB-CG2 3.45Å
356	Y	98.4	Very high	98.5	Very high	153 Å²	153	44.3 Å²	44.3	60%	0.6	19%	0.192	S	C	*	.	H	α-helix	trans	-77.9	-51.9	-174.9	-176.5	-98.7	0	0	0	113.1	R352 R353 K359 L393	R352-Y356 VanDerWaalsContact O-CB 3.23Å; R352-Y356 WeakPolarHBondContact O-CB 3.44Å; R352-Y356 PolarHBondContact O-N 2.93Å; R353-Y356 PolarHBondContact O-N 2.91Å; Y356-K359 WeakPolarHBondContact O-CE 3.44Å; Y356-K359 PolarHBondContact O-NZ 3.11Å; Y356-L393 HydrophobicContact CD2-CD1 4.37Å; Y356-L393 HydrophobicContact CD2-CD2 4.24Å
357	E	98.3	Very high	98.5	Very high	110 Å²	110	41 Å²	41	51%	0.514	17%	0.174	S	C	.	.	H	α-helix	trans	-77.9	-40.4	-173	-63.8	-177.1	-178.8	0	0	111.8	R353	R353-E357 HydrophobicContact CG-CG 4.03Å; R353-E357 WeakPolarHBondContact CG-OE1 3.44Å; R353-E357 WeakPolarHBondContact CG-OE2 3.23Å; R353-E357 IonicContact CZ-OE2 3.42Å; R353-E357 IonicContact NE-OE1 2.87Å; R353-E357 PolarHBondContact NE-OE1 3.46Å; R353-E357 IonicContact NE-OE2 3.44Å; R353-E357 PolarHBondContact NE-OE2 3.27Å; R353-E357 IonicContact NH2-OE2 2.73Å; R353-E357 PolarHBondContact NH2-OE2 2.67Å; R353-E357 WeakPolarHBondContact O-CB 3.3Å; R353-E357 PolarHBondContact O-N 3.26Å
358	R	97.9	Very high	98.3	Very high	87 Å²	87	40.9 Å²	40.9	33%	0.328	17%	0.173	S	C	.	.	H	α-helix	trans	-111.2	-4.6	-172.4	-63.3	-168.8	-62.7	-94.3	-0.8	114.6	D318 S354 V360	D318-R358 VanDerWaalsContact O-CZ 3.29Å; D318-R358 PolarHBondContact O-NH2 3.28Å; D318-R358 IonicContact OD1-CZ 3.26Å; D318-R358 IonicContact OD1-NH1 3.79Å; D318-R358 PolarHBondContact OD1-NH1 3.47Å; D318-R358 IonicContact OD1-NH2 2.76Å; D318-R358 PolarHBondContact OD1-NH2 3.46Å; S354-R358 CarbonylContact O-C 3.58Å; S354-R358 WeakPolarHBondContact O-CB 3.45Å; S354-R358 PolarHBondContact O-N 2.94Å; S354-R358 PolarHBondContact OG-NH2 3.41Å; R358-V360 HydrophobicContact CB-CG2 3.84Å; R358-V360 PolarHBondContact O-N 3.2Å
359	K	98.3	Very high	98.1	Very high	94 Å²	94	41.8 Å²	41.8	41%	0.409	18%	0.176	S	C	.	.			trans	59.9	25.6	-179.4	-48.1	-53.8	-179.2	-167	0	113.7	S354 A355 Y356 L393	S354-K359 PolarHBondContact O-N 2.98Å; A355-K359 VanDerWaalsContact O-CA 3.26Å; A355-K359 WeakPolarHBondContact O-CA 3.43Å; A355-K359 PolarHBondContact O-N 3.48Å; Y356-K359 WeakPolarHBondContact O-CE 3.44Å; Y356-K359 PolarHBondContact O-NZ 3.11Å; K359-L393 HydrophobicContact CD-CD2 4.12Å
360	V	98.7	Very high	97.7	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	19%	0.19	C	C	.	.			trans	-65.6	133.1	174.2	-177.9	0	0	0	0	109	A320 I324 S354 R358 V362	A320-V360 HydrophobicContact CB-CG1 4.21Å; A320-V360 WeakPolarHBondContact O-CG2 3.48Å; I324-V360 HydrophobicContact CD1-CB 4.33Å; I324-V360 HydrophobicContact CD1-CG1 3.58Å; I324-V360 HydrophobicContact CG1-CG1 3.76Å; S354-V360 PolarHBondContact O-N 3.44Å; R358-V360 HydrophobicContact CB-CG2 3.84Å; R358-V360 PolarHBondContact O-N 3.2Å; V360-V362 PolarHBondContact O-N 3.31Å
361	R	98.8	Very high	97.5	Very high	98 Å²	98	47.1 Å²	47.1	37%	0.37	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	129.4	175.3	172.3	-177.4	-66.8	140	10.4	109.9	E322 F323 I324 Y325 R363 D394	E322-R361 PolarHBondContact O-N 3.19Å; F323-R361 CarbonylContact C-O 3.29Å; F323-R361 WeakPolarHBondContact CA-O 3.38Å; F323-R361 HydrophobicContact CB-CB 4.15Å; I324-R361 PolarHBondContact N-O 3.44Å; Y325-R361 HydrophobicContact CE1-CG 4.16Å; R361-R363 HydrophobicContact CG-CG 4.33Å; R361-D394 HydrophobicContact CB-CB 4.4Å; R361-D394 WeakPolarHBondContact CD-OD2 3.31Å; R361-D394 HydrophobicContact CG-CB 4.33Å; R361-D394 WeakPolarHBondContact CG-OD2 3.32Å; R361-D394 IonicContact CZ-OD2 3.1Å; R361-D394 IonicContact NE-OD2 3.39Å; R361-D394 PolarHBondContact NE-OD2 3.29Å; R361-D394 IonicContact NH2-OD2 3.16Å
362	V	98.9	Very high	97.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	124.8	177.8	179.4	0	0	0	0	109.7	I324 L351 A355 V360 L364 D394 V395 Q396	I324-V362 HydrophobicContact CB-CG2 4.39Å; I324-V362 HydrophobicContact CD1-CG2 4.07Å; I324-V362 CarbonylContact O-C 3.55Å; I324-V362 WeakPolarHBondContact O-CA 3.29Å; L351-V362 HydrophobicContact CD2-CG1 4.11Å; A355-V362 HydrophobicContact CB-CG2 4.1Å; V360-V362 PolarHBondContact O-N 3.31Å; V362-L364 HydrophobicContact CG1-CD1 3.36Å; V362-D394 PolarHBondContact N-O 3.42Å; V362-V395 HydrophobicContact CB-CG1 4.35Å; V362-V395 HydrophobicContact CB-CG2 4.3Å; V362-V395 HydrophobicContact CG1-CG1 4.4Å; V362-V395 CarbonylContact O-C 3.5Å; V362-V395 WeakPolarHBondContact O-CA 3.31Å; V362-Q396 PolarHBondContact O-N 3.12Å
363	R	98.9	Very high	96.9	Very high	28 Å²	28	46 Å²	46	11%	0.106	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	122.8	173.3	-65.8	-174.9	176.4	166.2	4.1	110.8	I324 Y325 I326 R361 Q396 F468 E469 W472	I324-R363 PolarHBondContact O-N 3.2Å; Y325-R363 WeakPolarHBondContact CA-O 3.22Å; Y325-R363 HydrophobicContact CD1-CB 3.62Å; Y325-R363 HydrophobicContact CD1-CG 3.88Å; Y325-R363 HydrophobicContact CE1-CB 3.98Å; Y325-R363 VanDerWaalsContact CE1-CD 3.47Å; Y325-R363 HydrophobicContact CE1-CG 3.68Å; Y325-R363 HydrophobicContact CG-CB 4.42Å; Y325-R363 PolarHBondContact OH-NH1 2.69Å; I326-R363 PolarHBondContact N-O 3.02Å; R361-R363 HydrophobicContact CG-CG 4.33Å; R363-Q396 CarbonylContact C-O 3.6Å; R363-Q396 WeakPolarHBondContact CA-O 3.41Å; R363-Q396 HydrophobicContact CG-CB 4.35Å; R363-F468 HydrophobicContact CB-CE1 3.93Å; R363-F468 HydrophobicContact CB-CZ 3.68Å; R363-E469 VanDerWaalsContact NH1-CD 3.33Å; R363-E469 IonicContact NH1-OE1 2.85Å; R363-E469 PolarHBondContact NH1-OE1 2.94Å; R363-E469 IonicContact NH1-OE2 3.45Å; R363-E469 PolarHBondContact NH1-OE2 3.02Å; R363-W472 HydrophobicContact CB-CE3 4.22Å; R363-W472 HydrophobicContact CB-CH2 3.69Å; R363-W472 HydrophobicContact CB-CZ2 4.2Å; R363-W472 HydrophobicContact CB-CZ3 3.71Å; R363-W472 HydrophobicContact CG-CH2 3.85Å; R363-W472 HydrophobicContact CG-CZ2 3.89Å; R363-W472 HydrophobicContact CG-CZ3 4.32Å
364	L	98.7	Very high	96.5	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	123	175.5	-75	76.5	0	0	0	109.8	I326 Y331 L351 V362 I366 L383 Q396 V397 R398 W472	I326-L364 HydrophobicContact CB-CG 4.31Å; I326-L364 HydrophobicContact CD1-CD1 4.38Å; I326-L364 HydrophobicContact CD1-CG 4.27Å; I326-L364 WeakPolarHBondContact O-CA 3.43Å; Y331-L364 HydrophobicContact CD1-CD2 4.23Å; Y331-L364 HydrophobicContact CD2-CD2 4.16Å; Y331-L364 HydrophobicContact CE1-CD2 4.26Å; Y331-L364 HydrophobicContact CE2-CD2 4.2Å; Y331-L364 HydrophobicContact CG-CD2 4.17Å; L351-L364 HydrophobicContact CD1-CD1 4.39Å; L351-L364 HydrophobicContact CD1-CD2 4.39Å; V362-L364 HydrophobicContact CG1-CD1 3.36Å; L364-I366 HydrophobicContact CB-CD1 4.04Å; L364-I366 HydrophobicContact CB-CG1 4.19Å; L364-I366 HydrophobicContact CD2-CD1 4.24Å; L364-L383 HydrophobicContact CD1-CD2 3.87Å; L364-L383 HydrophobicContact CD2-CD2 3.59Å; L364-L383 HydrophobicContact CG-CD2 4.39Å; L364-Q396 PolarHBondContact N-O 3.12Å; L364-V397 HydrophobicContact CB-CG1 4.29Å; L364-V397 HydrophobicContact CB-CG2 4.29Å; L364-V397 WeakPolarHBondContact O-CA 3.19Å; L364-R398 PolarHBondContact O-N 3.25Å; L364-W472 WeakPolarHBondContact O-CZ3 3.37Å
365	L	98.6	Very high	96.1	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	103.3	172.2	-170.4	64.1	0	0	0	108.8	I326 A327 V328 R398 F400 F468 D471 W472 S477	I326-L365 PolarHBondContact O-N 3.15Å; A327-L365 WeakPolarHBondContact CA-O 3.44Å; A327-L365 HydrophobicContact CB-CB 4.37Å; V328-L365 PolarHBondContact N-O 3Å; L365-R398 WeakPolarHBondContact CA-O 3.47Å; L365-R398 HydrophobicContact CD1-CB 3.85Å; L365-F400 HydrophobicContact CD1-CB 3.87Å; L365-F400 HydrophobicContact CD1-CD2 3.99Å; L365-F400 HydrophobicContact CD1-CG 4.41Å; L365-F400 HydrophobicContact CD2-CD2 3.79Å; L365-F400 HydrophobicContact CD2-CE2 4.36Å; L365-F400 HydrophobicContact CD2-CG 4.45Å; L365-F400 HydrophobicContact CG-CB 3.97Å; L365-F400 HydrophobicContact CG-CD2 4.1Å; L365-F400 HydrophobicContact CG-CG 4.39Å; L365-F468 HydrophobicContact CB-CE2 3.83Å; L365-F468 HydrophobicContact CB-CZ 4.29Å; L365-D471 HydrophobicContact CD2-CB 3.66Å; L365-W472 HydrophobicContact CB-CE3 4.22Å; L365-W472 HydrophobicContact CB-CZ3 4.48Å; L365-W472 HydrophobicContact CD1-CE3 4.16Å; L365-S477 WeakPolarHBondContact CD1-OG 3.37Å
366	I	98.1	Very high	95.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136	-171.2	-51.2	-58.2	0	0	0	110.3	V328 Y331 L364 M376 L380 V397 R398 L399 F400	V328-I366 HydrophobicContact CG2-CD1 3.45Å; V328-I366 VanDerWaalsContact CG2-CD1 3.45Å; V328-I366 WeakPolarHBondContact O-CA 3.3Å; Y331-I366 HydrophobicContact CG-CD1 4.5Å; L364-I366 HydrophobicContact CB-CD1 4.04Å; L364-I366 HydrophobicContact CB-CG1 4.19Å; L364-I366 HydrophobicContact CD2-CD1 4.24Å; I366-M376 HydrophobicContact CG2-CE 3.76Å; I366-M376 HydrophobicContact CG2-SD 3.78Å; I366-L380 HydrophobicContact CB-CD1 4.16Å; I366-L380 HydrophobicContact CG1-CD1 4.17Å; I366-L380 HydrophobicContact CG1-CD2 3.82Å; I366-L380 HydrophobicContact CG2-CD1 4.03Å; I366-V397 HydrophobicContact CG1-CG1 4.39Å; I366-R398 PolarHBondContact N-O 2.91Å; I366-L399 HydrophobicContact CB-CD2 4.29Å; I366-L399 CarbonylContact O-C 3.42Å; I366-L399 VanDerWaalsContact O-CA 3.31Å; I366-L399 WeakPolarHBondContact O-CA 3.45Å; I366-F400 PolarHBondContact O-N 2.76Å
367	S	97.3	Very high	95.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	142.2	177.9	-168.1	0	0	0	0	112.4	V328 M329 V416 N417	V328-S367 PolarHBondContact O-N 3.28Å; M329-S367 WeakPolarHBondContact O-CB 3.28Å; M329-S367 PolarHBondContact O-N 2.8Å; S367-V416 VanDerWaalsContact OG-CG2 3.27Å; S367-V416 WeakPolarHBondContact OG-CG2 3.09Å; S367-N417 WeakPolarHBondContact CB-O 3.35Å; S367-N417 PolarHBondContact OG-N 2.85Å; S367-N417 VanDerWaalsContact OG-N 3.08Å; S367-N417 PolarHBondContact OG-O 2.67Å
368	C	94.6	Very high	95.4	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.007	21%	0.214	C	C	.	.			trans	-126.6	113.9	173.9	-153.4	0	0	0	0	108.6	L399 F400 C490	C368-L399 HydrophobicContact CB-CB 4.07Å; C368-L399 HydrophobicContact CB-CD2 4.43Å; C368-F400 PolarHBondContact N-O 2.87Å; C368-C490 WeakPolarHBondContact CA-SG 3.48Å; C368-C490 HydrophobicContact CB-CB 3.73Å; C368-C490 WeakPolarHBondContact CB-SG 3.49Å; C368-C490 WeakPolarHBondContact SG-CB 3.46Å; C368-C490 CovalentContact SG-SG 2.02Å; C368-C490 PolarHBondContact SG-SG 3.33Å
369	W	94	Very high	95.3	Very high	25 Å²	25	38.9 Å²	38.9	10%	0.095	21%	0.208	C	C	.	.	S	Bend	trans	-156.7	166.5	-174.2	71.7	-55.6	0	0	0	110.4	M329 H371 S372 Y413 V416 C490	M329-W369 HydrophobicContact CE-CH2 3.78Å; M329-W369 HydrophobicContact CE-CZ2 2.97Å; W369-H371 HydrophobicContact CD2-CB 4.12Å; W369-H371 HydrophobicContact CE3-CB 4.25Å; W369-H371 AromaticContact CE3-CD2 3.7Å; W369-H371 HydrophobicContact CH2-CB 3.63Å; W369-H371 AromaticContact CH2-CD2 3.75Å; W369-H371 AromaticContact CH2-CG 3.92Å; W369-H371 HydrophobicContact CZ2-CB 3.41Å; W369-H371 VanDerWaalsContact CZ2-CB 3.41Å; W369-H371 HydrophobicContact CZ3-CB 4.06Å; W369-H371 AromaticContact CZ3-CD2 3.4Å; W369-H371 WeakPolarHBondContact CZ3-CD2 3.46Å; W369-H371 PolarHBondContact O-N 3.16Å; W369-S372 PolarHBondContact N-OG 3.13Å; W369-S372 WeakPolarHBondContact O-CB 3.2Å; W369-S372 PolarHBondContact O-N 3.04Å; W369-S372 PolarHBondContact O-OG 3.21Å; W369-Y413 HydrophobicContact CH2-CD1 4.4Å; W369-Y413 HydrophobicContact CZ3-CD1 4.39Å; W369-V416 HydrophobicContact CB-CB 4.26Å; W369-V416 HydrophobicContact CB-CG2 4.17Å; W369-V416 HydrophobicContact CD2-CB 3.7Å; W369-V416 HydrophobicContact CD2-CG2 3.37Å; W369-V416 HydrophobicContact CE3-CB 3.58Å; W369-V416 HydrophobicContact CE3-CG1 4.07Å; W369-V416 HydrophobicContact CE3-CG2 3.78Å; W369-V416 HydrophobicContact CG-CB 3.99Å; W369-V416 HydrophobicContact CG-CG2 3.53Å; W369-V416 HydrophobicContact CZ2-CG2 4.32Å; W369-V416 HydrophobicContact CZ3-CB 4.16Å; W369-V416 HydrophobicContact CZ3-CG1 4.14Å; W369-V416 HydrophobicContact CZ3-CG2 4.34Å; W369-C490 PolarHBondContact N-SG 3.31Å
370	P	91.5	Very high	95.1	Very high	119 Å²	119	34.5 Å²	34.5	77%	0.773	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-21.6	-171.3	-29.4	37.1	0	0	0	116.6
371	H	92.6	Very high	94.9	Very high	96 Å²	96	36.8 Å²	36.8	44%	0.444	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	11.4	179	-56.6	-88	0	0	0	113.3	W369 Y413	W369-H371 HydrophobicContact CD2-CB 4.12Å; W369-H371 HydrophobicContact CE3-CB 4.25Å; W369-H371 AromaticContact CE3-CD2 3.7Å; W369-H371 HydrophobicContact CH2-CB 3.63Å; W369-H371 AromaticContact CH2-CD2 3.75Å; W369-H371 AromaticContact CH2-CG 3.92Å; W369-H371 HydrophobicContact CZ2-CB 3.41Å; W369-H371 VanDerWaalsContact CZ2-CB 3.41Å; W369-H371 HydrophobicContact CZ3-CB 4.06Å; W369-H371 AromaticContact CZ3-CD2 3.4Å; W369-H371 WeakPolarHBondContact CZ3-CD2 3.46Å; W369-H371 PolarHBondContact O-N 3.16Å; H371-Y413 AromaticContact CD2-CD1 3.96Å; H371-Y413 AromaticContact CE1-CD1 3.88Å; H371-Y413 AromaticContact CE1-CE1 3.39Å; H371-Y413 WeakPolarHBondContact CE1-CE1 3.3Å; H371-Y413 AromaticContact ND1-CE1 3.89Å; H371-Y413 AromaticContact NE2-CD1 3.59Å; H371-Y413 AromaticContact NE2-CE1 3.59Å
372	S	93.3	Very high	94.8	Very high	11 Å²	11	34.7 Å²	34.7	8%	0.077	20%	0.2	C	C	.	.	S	Bend	trans	-62.8	127.7	174.7	-52.5	0	0	0	0	110	W369 P374	W369-S372 PolarHBondContact N-OG 3.13Å; W369-S372 WeakPolarHBondContact O-CB 3.2Å; W369-S372 PolarHBondContact O-N 3.04Å; W369-S372 PolarHBondContact O-OG 3.21Å; S372-P374 VanDerWaalsContact O-CD 3.29Å; S372-P374 WeakPolarHBondContact O-CD 3.46Å
373	P	91.9	Very high	94.7	Very high	25 Å²	25	34.7 Å²	34.7	16%	0.162	20%	0.2	C	C	.	.			trans	-61.4	122.4	178.5	-23	33.3	0	0	0	110.9	L332 V375 M376	L332-P373 HydrophobicContact CD1-CG 4.26Å; L332-P373 HydrophobicContact CD2-CB 4.23Å; P373-V375 HydrophobicContact CB-CG1 4.35Å; P373-V375 PolarHBondContact O-N 2.77Å; P373-V375 VanDerWaalsContact O-N 3.09Å; P373-M376 WeakPolarHBondContact O-CB 3.28Å; P373-M376 PolarHBondContact O-N 2.82Å
374	P	90.3	Very high	94.6	Very high	105 Å²	105	34.3 Å²	34.3	68%	0.682	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-30.4	-177	-28.6	36.2	0	0	0	114	S372 M376 L377 P378	S372-P374 VanDerWaalsContact O-CD 3.29Å; S372-P374 WeakPolarHBondContact O-CD 3.46Å; P374-M376 PolarHBondContact O-N 3.26Å; P374-L377 PolarHBondContact O-N 3.06Å; P374-P378 WeakPolarHBondContact O-CD 3.46Å
375	V	91.5	Very high	94.4	Very high	77 Å²	77	37.5 Å²	37.5	47%	0.467	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.4	177.8	73.8	0	0	0	0	113.5	L332 P373 L377 P378 F379	L332-V375 HydrophobicContact CD2-CG1 3.65Å; P373-V375 HydrophobicContact CB-CG1 4.35Å; P373-V375 PolarHBondContact O-N 2.77Å; P373-V375 VanDerWaalsContact O-N 3.09Å; V375-L377 VanDerWaalsContact C-N 3.31Å; V375-L377 PolarHBondContact O-N 3.45Å; V375-P378 WeakPolarHBondContact O-CD 3.41Å; V375-F379 HydrophobicContact CG2-CE2 4.19Å; V375-F379 VanDerWaalsContact O-CD2 3.25Å; V375-F379 WeakPolarHBondContact O-CD2 3.29Å
376	M	93.6	Very high	94.3	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-38.9	174	-179.4	166.4	71.2	0	0	111.6	N330 Y331 L332 I366 P373 P374 F379 L380	N330-M376 HydrophobicContact CB-SD 4.5Å; Y331-M376 PolarHBondContact N-SD 3.33Å; Y331-M376 VanDerWaalsContact O-CG 3.26Å; Y331-M376 WeakPolarHBondContact O-CG 3.34Å; L332-M376 HydrophobicContact CD1-CB 4.22Å; L332-M376 HydrophobicContact CD1-CG 4.28Å; L332-M376 HydrophobicContact CD1-SD 4.07Å; L332-M376 HydrophobicContact CD2-CB 4.17Å; L332-M376 HydrophobicContact CG-CB 4.04Å; L332-M376 HydrophobicContact CG-CG 4.24Å; I366-M376 HydrophobicContact CG2-CE 3.76Å; I366-M376 HydrophobicContact CG2-SD 3.78Å; P373-M376 WeakPolarHBondContact O-CB 3.28Å; P373-M376 PolarHBondContact O-N 2.82Å; P374-M376 PolarHBondContact O-N 3.26Å; M376-F379 PolarHBondContact O-N 3.09Å; M376-F379 VanDerWaalsContact O-N 3.11Å; M376-L380 HydrophobicContact CE-CD1 4.34Å; M376-L380 HydrophobicContact CG-CD1 3.77Å; M376-L380 HydrophobicContact CG-CG 3.91Å; M376-L380 WeakPolarHBondContact O-CG 3.23Å; M376-L380 PolarHBondContact O-N 3.01Å; M376-L380 HydrophobicContact SD-CD1 4.33Å
377	L	92.3	Very high	94.2	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.063	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-46.6	-171.6	-177.1	80.1	0	0	0	113.7	P374 V375 F379 L380 K381 L399 I480 A484 L486	P374-L377 PolarHBondContact O-N 3.06Å; V375-L377 VanDerWaalsContact C-N 3.31Å; V375-L377 PolarHBondContact O-N 3.45Å; L377-F379 VanDerWaalsContact C-N 3.29Å; L377-F379 PolarHBondContact O-N 2.89Å; L377-L380 PolarHBondContact O-N 2.88Å; L377-K381 HydrophobicContact CG-CD 4.27Å; L377-K381 WeakPolarHBondContact O-CG 3.21Å; L377-K381 PolarHBondContact O-N 3.26Å; L377-L399 HydrophobicContact CD1-CD1 4.43Å; L377-I480 HydrophobicContact CD1-CD1 3.58Å; L377-I480 HydrophobicContact CD1-CG1 4.15Å; L377-A484 WeakPolarHBondContact CD2-O 3.42Å; L377-L486 HydrophobicContact CB-CD1 3.71Å; L377-L486 HydrophobicContact CB-CG 3.86Å; L377-L486 HydrophobicContact CD1-CD2 4Å; L377-L486 HydrophobicContact CD1-CG 3.91Å; L377-L486 HydrophobicContact CD2-CB 4.48Å; L377-L486 HydrophobicContact CD2-CD1 4.42Å; L377-L486 HydrophobicContact CD2-CG 3.87Å; L377-L486 HydrophobicContact CG-CD1 4.45Å; L377-L486 HydrophobicContact CG-CG 4.07Å
378	P	93	Very high	94.2	Very high	78 Å²	78	45.4 Å²	45.4	51%	0.506	27%	0.265	S	S	.	.	H	α-helix	trans	-54	-40.8	172.4	-29.1	34.5	0	0	0	114.3	P374 V375 K381 S382	P374-P378 WeakPolarHBondContact O-CD 3.46Å; V375-P378 WeakPolarHBondContact O-CD 3.41Å; P378-K381 PolarHBondContact O-N 3.11Å; P378-S382 WeakPolarHBondContact O-CB 3.39Å; P378-S382 PolarHBondContact O-N 3.25Å
379	F	95.6	Very high	94.2	Very high	46 Å²	46	53.3 Å²	53.3	20%	0.202	30%	0.296	C	S	.	.	H	α-helix	trans	-68	-44	178.6	-68.4	-63.1	0	0	0	111.9	P333 T334 Y343 V375 M376 L377 K381 S382 L383	P333-F379 HydrophobicContact CG-CB 4Å; P333-F379 HydrophobicContact CG-CD1 3.34Å; P333-F379 HydrophobicContact CG-CD2 4.08Å; P333-F379 HydrophobicContact CG-CE1 3.71Å; P333-F379 HydrophobicContact CG-CE2 4.38Å; P333-F379 HydrophobicContact CG-CG 3.55Å; P333-F379 HydrophobicContact CG-CZ 4.22Å; T334-F379 HydrophobicContact CG2-CE2 3.74Å; T334-F379 HydrophobicContact CG2-CZ 3.67Å; Y343-F379 HydrophobicContact CD2-CE1 4.43Å; Y343-F379 AromaticContact CE2-CE1 4Å; Y343-F379 HydrophobicContact CE2-CE1 4Å; V375-F379 HydrophobicContact CG2-CE2 4.19Å; V375-F379 VanDerWaalsContact O-CD2 3.25Å; V375-F379 WeakPolarHBondContact O-CD2 3.29Å; M376-F379 PolarHBondContact O-N 3.09Å; M376-F379 VanDerWaalsContact O-N 3.11Å; L377-F379 VanDerWaalsContact C-N 3.29Å; L377-F379 PolarHBondContact O-N 2.89Å; F379-K381 VanDerWaalsContact C-N 3.31Å; F379-K381 PolarHBondContact O-N 3.23Å; F379-S382 WeakPolarHBondContact O-CB 3.45Å; F379-S382 PolarHBondContact O-N 2.87Å; F379-S382 VanDerWaalsContact O-N 3.16Å; F379-L383 PolarHBondContact O-N 3.24Å
380	L	95.9	Very high	94.2	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.005	33%	0.325	C	S	.	.	H	α-helix	trans	-59.9	-41.3	175.1	-65.8	-177.2	0	0	0	112.2	Y331 I366 M376 L377 L383 A384 V397 L399 I480	Y331-L380 HydrophobicContact CD1-CD2 3.64Å; Y331-L380 HydrophobicContact CE1-CD2 4.45Å; Y331-L380 HydrophobicContact CG-CD2 4.36Å; I366-L380 HydrophobicContact CB-CD1 4.16Å; I366-L380 HydrophobicContact CG1-CD1 4.17Å; I366-L380 HydrophobicContact CG1-CD2 3.82Å; I366-L380 HydrophobicContact CG2-CD1 4.03Å; M376-L380 HydrophobicContact CE-CD1 4.34Å; M376-L380 HydrophobicContact CG-CD1 3.77Å; M376-L380 HydrophobicContact CG-CG 3.91Å; M376-L380 WeakPolarHBondContact O-CG 3.23Å; M376-L380 PolarHBondContact O-N 3.01Å; M376-L380 HydrophobicContact SD-CD1 4.33Å; L377-L380 PolarHBondContact O-N 2.88Å; L380-L383 PolarHBondContact O-N 3.21Å; L380-A384 WeakPolarHBondContact O-CB 3.28Å; L380-A384 PolarHBondContact O-N 3.05Å; L380-V397 HydrophobicContact CB-CG1 4.15Å; L380-V397 HydrophobicContact CD2-CG1 4.09Å; L380-V397 HydrophobicContact CG-CG1 4.48Å; L380-L399 HydrophobicContact CD1-CD2 3.93Å; L380-I480 HydrophobicContact CB-CD1 3.57Å
381	K	94.6	Very high	94.5	Very high	49 Å²	49	60.4 Å²	60.4	21%	0.213	31%	0.314	C	S	.	.	H	α-helix	trans	-63.6	-42.4	174.6	-72.8	173.6	177.3	170.1	0	112.1	L377 P378 F379 L383 A384 S385 I480 A484	L377-K381 HydrophobicContact CG-CD 4.27Å; L377-K381 WeakPolarHBondContact O-CG 3.21Å; L377-K381 PolarHBondContact O-N 3.26Å; P378-K381 PolarHBondContact O-N 3.11Å; F379-K381 VanDerWaalsContact C-N 3.31Å; F379-K381 PolarHBondContact O-N 3.23Å; K381-L383 VanDerWaalsContact C-N 3.31Å; K381-L383 PolarHBondContact O-N 2.83Å; K381-A384 PolarHBondContact O-N 3.09Å; K381-S385 PolarHBondContact O-N 3.01Å; K381-I480 HydrophobicContact CG-CD1 3.67Å; K381-I480 HydrophobicContact CG-CG1 4.03Å; K381-A484 WeakPolarHBondContact CE-O 3.1Å; K381-A484 PolarHBondContact NZ-O 3.15Å
382	S	95.8	Very high	94.7	Very high	55 Å²	55	63.6 Å²	63.6	39%	0.385	33%	0.327	S	S	.	.	H	α-helix	trans	-64	-35.1	177.4	173.4	0	0	0	0	112.5	R352 P378 F379 S385	R352-S382 PolarHBondContact NH1-O 3.43Å; R352-S382 PolarHBondContact NH2-O 2.83Å; R352-S382 PolarHBondContact NH2-OG 3.31Å; P378-S382 WeakPolarHBondContact O-CB 3.39Å; P378-S382 PolarHBondContact O-N 3.25Å; F379-S382 WeakPolarHBondContact O-CB 3.45Å; F379-S382 PolarHBondContact O-N 2.87Å; F379-S382 VanDerWaalsContact O-N 3.16Å; S382-S385 PolarHBondContact O-OG 2.89Å
383	L	96.8	Very high	94.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-72.7	-45.7	174.3	-174.6	59.9	0	0	0	111.1	Y331 L351 R352 L364 F379 L380 K381 S385 V386 V395 V397	Y331-L383 HydrophobicContact CE1-CD2 4.2Å; L351-L383 HydrophobicContact CD1-CD2 4.34Å; R352-L383 HydrophobicContact CG-CD1 3.83Å; L364-L383 HydrophobicContact CD1-CD2 3.87Å; L364-L383 HydrophobicContact CD2-CD2 3.59Å; L364-L383 HydrophobicContact CG-CD2 4.39Å; F379-L383 PolarHBondContact O-N 3.24Å; L380-L383 PolarHBondContact O-N 3.21Å; K381-L383 VanDerWaalsContact C-N 3.31Å; K381-L383 PolarHBondContact O-N 2.83Å; L383-S385 PolarHBondContact O-N 3.35Å; L383-V386 WeakPolarHBondContact O-CB 3.33Å; L383-V386 WeakPolarHBondContact O-CG2 3.22Å; L383-V386 PolarHBondContact O-N 3.15Å; L383-V386 VanDerWaalsContact O-N 3.11Å; L383-V395 HydrophobicContact CD1-CG1 4Å; L383-V395 HydrophobicContact CG-CG1 3.86Å; L383-V395 WeakPolarHBondContact O-CG1 3.38Å; L383-V397 HydrophobicContact CB-CG2 4.5Å; L383-V397 HydrophobicContact CD2-CG2 4.46Å; L383-V397 HydrophobicContact CG-CG2 4.45Å
384	A	95.9	Very high	95.2	Very high	19 Å²	19	64.2 Å²	64.2	16%	0.157	33%	0.328	C	S	.	.	H	α-helix	trans	-60.5	-30.5	177.2	0	0	0	0	0	113.3	L380 K381 V386 H387 V397 I480	L380-A384 WeakPolarHBondContact O-CB 3.28Å; L380-A384 PolarHBondContact O-N 3.05Å; K381-A384 PolarHBondContact O-N 3.09Å; A384-V386 PolarHBondContact O-N 2.72Å; A384-V386 VanDerWaalsContact O-N 3.16Å; A384-H387 VanDerWaalsContact O-CB 3.31Å; A384-H387 WeakPolarHBondContact O-CB 3.12Å; A384-H387 PolarHBondContact O-N 3.23Å; A384-H387 VanDerWaalsContact O-N 3.12Å; A384-V397 HydrophobicContact CB-CB 4.11Å; A384-V397 HydrophobicContact CB-CG2 3.91Å; A384-I480 HydrophobicContact CB-CG2 3.63Å
385	S	95.6	Very high	95.6	Very high	68 Å²	68	59.3 Å²	59.3	48%	0.476	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-7.1	177.9	65.9	0	0	0	0	114.3	K381 S382 L383	K381-S385 PolarHBondContact O-N 3.01Å; S382-S385 PolarHBondContact O-OG 2.89Å; L383-S385 PolarHBondContact O-N 3.35Å
386	V	96.2	Very high	95.9	Very high	28 Å²	28	58.3 Å²	58.3	17%	0.17	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-19.6	171.3	-179.7	0	0	0	0	111.5	R352 L383 A384 D388 L393 V395	R352-V386 HydrophobicContact CG-CG2 4.43Å; L383-V386 WeakPolarHBondContact O-CB 3.33Å; L383-V386 WeakPolarHBondContact O-CG2 3.22Å; L383-V386 PolarHBondContact O-N 3.15Å; L383-V386 VanDerWaalsContact O-N 3.11Å; A384-V386 PolarHBondContact O-N 2.72Å; A384-V386 VanDerWaalsContact O-N 3.16Å; V386-D388 PolarHBondContact O-N 3.12Å; V386-L393 HydrophobicContact CG1-CD1 4.25Å; V386-L393 VanDerWaalsContact O-CB 3.28Å; V386-L393 WeakPolarHBondContact O-CB 3.46Å; V386-L393 WeakPolarHBondContact O-CD1 3.49Å; V386-V395 HydrophobicContact CB-CB 4.15Å; V386-V395 HydrophobicContact CB-CG2 3.99Å; V386-V395 HydrophobicContact CG1-CB 4.43Å; V386-V395 HydrophobicContact CG1-CG2 3.74Å
387	H	96.6	Very high	96.1	Very high	91 Å²	91	58.6 Å²	58.6	42%	0.421	29%	0.288	S	S	.	.			trans	-58.4	120.2	176.3	-168.1	76.2	0	0	0	111.7	A384 L393 D394 V395	A384-H387 VanDerWaalsContact O-CB 3.31Å; A384-H387 WeakPolarHBondContact O-CB 3.12Å; A384-H387 PolarHBondContact O-N 3.23Å; A384-H387 VanDerWaalsContact O-N 3.12Å; H387-L393 PolarHBondContact ND1-O 3.42Å; H387-D394 IonicContact CE1-OD1 3.47Å; H387-D394 IonicContact ND1-OD1 2.85Å; H387-V395 VanDerWaalsContact CB-O 3.32Å; H387-V395 WeakPolarHBondContact CB-O 3.33Å
388	D	96.1	Very high	96.3	Very high	47 Å²	47	60.8 Å²	60.8	25%	0.251	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-152.8	106.4	176.4	-178.6	5.6	0	0	0	110.7	V386 R390 N391 K392 L393	V386-D388 PolarHBondContact O-N 3.12Å; D388-R390 PolarHBondContact O-N 2.79Å; D388-R390 WeakPolarHBondContact OD1-CB 3.38Å; D388-R390 PolarHBondContact OD1-N 3.35Å; D388-N391 HydrophobicContact CB-CB 4.46Å; D388-N391 CarbonylContact O-C 3.44Å; D388-N391 PolarHBondContact O-N 2.76Å; D388-N391 PolarHBondContact OD2-ND2 2.77Å; D388-K392 PolarHBondContact O-N 3.3Å; D388-K392 VanDerWaalsContact O-N 3.09Å; D388-L393 HydrophobicContact CB-CB 4.37Å; D388-L393 HydrophobicContact CB-CD1 4.42Å; D388-L393 PolarHBondContact N-O 2.88Å; D388-L393 PolarHBondContact O-N 2.89Å
389	Y	94.4	Very high	96.5	Very high	167 Å²	167	57.1 Å²	57.1	66%	0.655	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-60.7	-31.2	178.9	78.1	-90	0	0	0	112.8	N391 K392	Y389-N391 VanDerWaalsContact C-N 3.31Å; Y389-N391 PolarHBondContact O-N 3.33Å; Y389-K392 PolarHBondContact O-N 3.34Å
390	R	96	Very high	96.6	Very high	191 Å²	191	55 Å²	55	72%	0.721	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-68.6	-35.5	-177.5	-63.9	-177.1	174.8	-178.2	-0.5	111.3	D388	D388-R390 PolarHBondContact O-N 2.79Å; D388-R390 WeakPolarHBondContact OD1-CB 3.38Å; D388-R390 PolarHBondContact OD1-N 3.35Å
391	N	96.2	Very high	96.6	Very high	101 Å²	101	57.2 Å²	57.2	54%	0.54	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-98.9	11.3	178.6	-71.9	-62.2	0	0	0	113.3	D388 Y389 L393	D388-N391 HydrophobicContact CB-CB 4.46Å; D388-N391 CarbonylContact O-C 3.44Å; D388-N391 PolarHBondContact O-N 2.76Å; D388-N391 PolarHBondContact OD2-ND2 2.77Å; Y389-N391 VanDerWaalsContact C-N 3.31Å; Y389-N391 PolarHBondContact O-N 3.33Å; N391-L393 HydrophobicContact CB-CD1 4.33Å; N391-L393 HydrophobicContact CB-CG 4.18Å; N391-L393 PolarHBondContact O-N 3.47Å
392	K	96.8	Very high	96.8	Very high	163 Å²	163	55.2 Å²	55.2	71%	0.709	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	36.8	-179.4	-53.1	179.4	-178.8	-179.7	0	113.1	D388 Y389	D388-K392 PolarHBondContact O-N 3.3Å; D388-K392 VanDerWaalsContact O-N 3.09Å; Y389-K392 PolarHBondContact O-N 3.34Å
393	L	98.1	Very high	96.7	Very high	17 Å²	17	54.8 Å²	54.8	9%	0.089	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-97.1	115.8	176	-59.2	178.8	0	0	0	109.2	A355 Y356 K359 V386 H387 D388 N391	A355-L393 WeakPolarHBondContact O-CD2 3.32Å; Y356-L393 HydrophobicContact CD2-CD1 4.37Å; Y356-L393 HydrophobicContact CD2-CD2 4.24Å; K359-L393 HydrophobicContact CD-CD2 4.12Å; V386-L393 HydrophobicContact CG1-CD1 4.25Å; V386-L393 VanDerWaalsContact O-CB 3.28Å; V386-L393 WeakPolarHBondContact O-CB 3.46Å; V386-L393 WeakPolarHBondContact O-CD1 3.49Å; H387-L393 PolarHBondContact ND1-O 3.42Å; D388-L393 HydrophobicContact CB-CB 4.37Å; D388-L393 HydrophobicContact CB-CD1 4.42Å; D388-L393 PolarHBondContact N-O 2.88Å; D388-L393 PolarHBondContact O-N 2.89Å; N391-L393 HydrophobicContact CB-CD1 4.33Å; N391-L393 HydrophobicContact CB-CG 4.18Å; N391-L393 PolarHBondContact O-N 3.47Å
394	D	98	Very high	96.7	Very high	32 Å²	32	56.1 Å²	56.1	17%	0.171	28%	0.275	C	S	.	.			trans	-114.4	79.3	-178.2	-169	5	0	0	0	111.1	R361 V362 H387 Q396	R361-D394 HydrophobicContact CB-CB 4.4Å; R361-D394 WeakPolarHBondContact CD-OD2 3.31Å; R361-D394 HydrophobicContact CG-CB 4.33Å; R361-D394 WeakPolarHBondContact CG-OD2 3.32Å; R361-D394 IonicContact CZ-OD2 3.1Å; R361-D394 IonicContact NE-OD2 3.39Å; R361-D394 PolarHBondContact NE-OD2 3.29Å; R361-D394 IonicContact NH2-OD2 3.16Å; V362-D394 PolarHBondContact N-O 3.42Å; H387-D394 IonicContact CE1-OD1 3.47Å; H387-D394 IonicContact ND1-OD1 2.85Å; D394-Q396 WeakPolarHBondContact OD1-CG 3.25Å; D394-Q396 PolarHBondContact OD1-NE2 2.94Å
395	V	98.3	Very high	96.6	Very high	2 Å²	2	58.8 Å²	58.8	1%	0.012	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	112.6	175.2	-176.7	0	0	0	0	109.6	A355 V362 L383 V386 H387	A355-V395 HydrophobicContact CB-CG2 3.45Å; A355-V395 VanDerWaalsContact CB-CG2 3.45Å; V362-V395 HydrophobicContact CB-CG1 4.35Å; V362-V395 HydrophobicContact CB-CG2 4.3Å; V362-V395 HydrophobicContact CG1-CG1 4.4Å; V362-V395 CarbonylContact O-C 3.5Å; V362-V395 WeakPolarHBondContact O-CA 3.31Å; L383-V395 HydrophobicContact CD1-CG1 4Å; L383-V395 HydrophobicContact CG-CG1 3.86Å; L383-V395 WeakPolarHBondContact O-CG1 3.38Å; V386-V395 HydrophobicContact CB-CB 4.15Å; V386-V395 HydrophobicContact CB-CG2 3.99Å; V386-V395 HydrophobicContact CG1-CB 4.43Å; V386-V395 HydrophobicContact CG1-CG2 3.74Å; H387-V395 VanDerWaalsContact CB-O 3.32Å; H387-V395 WeakPolarHBondContact CB-O 3.33Å
396	Q	97.9	Very high	96.6	Very high	57 Å²	57	61.1 Å²	61.1	27%	0.266	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	138.1	-176.7	-58.5	-179.6	45.6	0	0	110.7	V362 R363 L364 D394 W472	V362-Q396 PolarHBondContact O-N 3.12Å; R363-Q396 CarbonylContact C-O 3.6Å; R363-Q396 WeakPolarHBondContact CA-O 3.41Å; R363-Q396 HydrophobicContact CG-CB 4.35Å; L364-Q396 PolarHBondContact N-O 3.12Å; D394-Q396 WeakPolarHBondContact OD1-CG 3.25Å; D394-Q396 PolarHBondContact OD1-NE2 2.94Å; Q396-W472 HydrophobicContact CB-CH2 3.72Å; Q396-W472 HydrophobicContact CB-CZ2 3.85Å
397	V	97.8	Very high	96.4	Very high	6 Å²	6	67.7 Å²	67.7	4%	0.036	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.2	176.2	-175.3	0	0	0	0	108.9	L364 I366 L380 L383 A384 I480	L364-V397 HydrophobicContact CB-CG1 4.29Å; L364-V397 HydrophobicContact CB-CG2 4.29Å; L364-V397 WeakPolarHBondContact O-CA 3.19Å; I366-V397 HydrophobicContact CG1-CG1 4.39Å; L380-V397 HydrophobicContact CB-CG1 4.15Å; L380-V397 HydrophobicContact CD2-CG1 4.09Å; L380-V397 HydrophobicContact CG-CG1 4.48Å; L383-V397 HydrophobicContact CB-CG2 4.5Å; L383-V397 HydrophobicContact CD2-CG2 4.46Å; L383-V397 HydrophobicContact CG-CG2 4.45Å; A384-V397 HydrophobicContact CB-CB 4.11Å; A384-V397 HydrophobicContact CB-CG2 3.91Å; V397-I480 HydrophobicContact CB-CG2 3.93Å; V397-I480 HydrophobicContact CG1-CG2 4.34Å; V397-I480 PolarHBondContact O-N 3.43Å; V397-I480 VanDerWaalsContact O-N 3.14Å
398	R	97.4	Very high	96.4	Very high	58 Å²	58	64.7 Å²	64.7	22%	0.219	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	145.8	173.7	-68.9	-167.4	165.4	-161.1	-12.2	110.4	L364 L365 I366 W472 S477 A478 P479	L364-R398 PolarHBondContact O-N 3.25Å; L365-R398 WeakPolarHBondContact CA-O 3.47Å; L365-R398 HydrophobicContact CD1-CB 3.85Å; I366-R398 PolarHBondContact N-O 2.91Å; R398-W472 HydrophobicContact CB-CE3 4.26Å; R398-W472 HydrophobicContact CB-CH2 4.09Å; R398-W472 HydrophobicContact CB-CZ3 3.82Å; R398-W472 HydrophobicContact CG-CD2 4.48Å; R398-W472 HydrophobicContact CG-CE3 4.23Å; R398-W472 HydrophobicContact CG-CH2 3.53Å; R398-W472 HydrophobicContact CG-CZ2 3.8Å; R398-W472 HydrophobicContact CG-CZ3 3.76Å; R398-W472 PolarHBondContact NH1-O 2.98Å; R398-S477 WeakPolarHBondContact CB-OG 3.34Å; R398-S477 WeakPolarHBondContact CD-OG 3.35Å; R398-A478 CarbonylContact C-O 3.45Å; R398-A478 VanDerWaalsContact CA-O 3.24Å; R398-A478 WeakPolarHBondContact CA-O 3.26Å; R398-A478 WeakPolarHBondContact CB-O 3.43Å; R398-P479 HydrophobicContact CG-CB 4.48Å
399	L	97.3	Very high	96.2	Very high	2 Å²	2	69.8 Å²	69.8	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	137.1	170.6	-66.3	174.5	0	0	0	108.7	I366 C368 L377 L380 S477 A478 L486 V489	I366-L399 HydrophobicContact CB-CD2 4.29Å; I366-L399 CarbonylContact O-C 3.42Å; I366-L399 VanDerWaalsContact O-CA 3.31Å; I366-L399 WeakPolarHBondContact O-CA 3.45Å; C368-L399 HydrophobicContact CB-CB 4.07Å; C368-L399 HydrophobicContact CB-CD2 4.43Å; L377-L399 HydrophobicContact CD1-CD1 4.43Å; L380-L399 HydrophobicContact CD1-CD2 3.93Å; L399-S477 WeakPolarHBondContact O-CA 3.45Å; L399-A478 PolarHBondContact N-O 3.09Å; L399-A478 PolarHBondContact O-N 2.69Å; L399-L486 HydrophobicContact CD1-CD2 4.49Å; L399-V489 HydrophobicContact CB-CG1 4.45Å; L399-V489 HydrophobicContact CD1-CB 4.41Å; L399-V489 HydrophobicContact CD1-CG1 3.59Å
400	F	97.4	Very high	96.2	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	120.4	180	-169.2	-84.1	0	0	0	110	M99 F101 K231 L365 I366 C368 V402 N417 D471 Y476	M99-F400 HydrophobicContact CE-CE1 3.55Å; M99-F400 HydrophobicContact CE-CE2 4.35Å; M99-F400 HydrophobicContact CE-CZ 3.28Å; F101-F400 HydrophobicContact CZ-CZ 4.31Å; K231-F400 HydrophobicContact CD-CE1 4.02Å; K231-F400 HydrophobicContact CD-CZ 3.95Å; L365-F400 HydrophobicContact CD1-CB 3.87Å; L365-F400 HydrophobicContact CD1-CD2 3.99Å; L365-F400 HydrophobicContact CD1-CG 4.41Å; L365-F400 HydrophobicContact CD2-CD2 3.79Å; L365-F400 HydrophobicContact CD2-CE2 4.36Å; L365-F400 HydrophobicContact CD2-CG 4.45Å; L365-F400 HydrophobicContact CG-CB 3.97Å; L365-F400 HydrophobicContact CG-CD2 4.1Å; L365-F400 HydrophobicContact CG-CG 4.39Å; I366-F400 PolarHBondContact O-N 2.76Å; C368-F400 PolarHBondContact N-O 2.87Å; F400-V402 HydrophobicContact CD1-CG2 4.48Å; F400-V402 HydrophobicContact CE1-CG2 4.17Å; F400-N417 HydrophobicContact CD1-CB 3.53Å; F400-N417 HydrophobicContact CE1-CB 3.96Å; F400-N417 HydrophobicContact CG-CB 4.35Å; F400-D471 HydrophobicContact CD2-CB 4.5Å; F400-D471 HydrophobicContact CE2-CB 3.83Å; F400-Y476 WeakPolarHBondContact CA-O 3.47Å
401	T	96.4	Very high	96.2	Very high	49 Å²	49	57 Å²	57	30%	0.301	30%	0.301	S	S	.	.			trans	-116.9	121.4	-176.7	-55.3	0	0	0	0	109.3	Y476 C490	T401-Y476 PolarHBondContact N-O 3.36Å; T401-C490 HydrophobicContact CG2-CB 4.44Å
402	V	97.1	Very high	96.1	Very high	7 Å²	7	54.8 Å²	54.8	4%	0.042	29%	0.291	C	S	.	.			trans	-75.6	124.4	173.1	-178.6	0	0	0	0	108.1	P96 M99 F400 R415	P96-V402 HydrophobicContact CB-CG1 3.76Å; P96-V402 HydrophobicContact CG-CG1 3.72Å; P96-V402 HydrophobicContact CG-CG2 4.41Å; M99-V402 HydrophobicContact SD-CG1 4.39Å; F400-V402 HydrophobicContact CD1-CG2 4.48Å; F400-V402 HydrophobicContact CE1-CG2 4.17Å; V402-R415 HydrophobicContact CB-CB 4.23Å; V402-R415 HydrophobicContact CG1-CB 4.15Å
403	P	95.4	Very high	96	Very high	45 Å²	45	53.9 Å²	53.9	29%	0.292	29%	0.285	S	S	.	.			trans	-64.8	154.3	179.5	31.2	-38.3	0	0	0	110.1	R415 Y476	P403-R415 PolarHBondContact O-NE 3.1Å; P403-R415 PolarHBondContact O-NH2 3.33Å; P403-Y476 HydrophobicContact CB-CE1 4.27Å; P403-Y476 HydrophobicContact CG-CD1 4.03Å; P403-Y476 HydrophobicContact CG-CE1 3.57Å
404	A	95.4	Very high	95.9	Very high	28 Å²	28	53.5 Å²	53.5	23%	0.231	28%	0.284	C	S	.	.			trans	-154.4	132.6	176.9	0	0	0	0	0	111.4	Q408 K409 R415	A404-Q408 HydrophobicContact CB-CB 4.07Å; A404-K409 HydrophobicContact CB-CG 3.57Å; A404-K409 WeakPolarHBondContact O-CE 3.38Å; A404-R415 HydrophobicContact CB-CB 4.34Å; A404-R415 HydrophobicContact CB-CG 3.83Å
405	D	94.9	Very high	95.8	Very high	76 Å²	76	52.8 Å²	52.8	41%	0.406	28%	0.278	S	S	.	.			trans	-75.3	171.2	165.4	76.2	36.2	0	0	0	111.2	K407 Q408 K409	D405-K407 VanDerWaalsContact C-N 3.26Å; D405-K407 PolarHBondContact O-N 3.3Å; D405-K407 WeakPolarHBondContact OD1-CA 3.42Å; D405-K407 WeakPolarHBondContact OD1-CB 3.49Å; D405-K407 PolarHBondContact OD1-N 2.98Å; D405-Q408 PolarHBondContact O-N 3.31Å; D405-Q408 PolarHBondContact OD1-N 3.38Å; D405-K409 WeakPolarHBondContact O-CG 3.41Å; D405-K409 PolarHBondContact O-N 2.92Å
406	P	94.7	Very high	95.8	Very high	116 Å²	116	52.9 Å²	52.9	75%	0.753	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-31.6	-179.2	-27.5	36.6	0	0	0	115.3
407	K	93.3	Very high	95.8	Very high	167 Å²	167	50.1 Å²	50.1	73%	0.726	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-47.4	177.4	-67.2	-178.7	175.6	-177	0	110.2	D405 K409 A410	D405-K407 VanDerWaalsContact C-N 3.26Å; D405-K407 PolarHBondContact O-N 3.3Å; D405-K407 WeakPolarHBondContact OD1-CA 3.42Å; D405-K407 WeakPolarHBondContact OD1-CB 3.49Å; D405-K407 PolarHBondContact OD1-N 2.98Å; K407-K409 PolarHBondContact O-N 2.82Å; K407-A410 WeakPolarHBondContact O-CB 3.45Å; K407-A410 PolarHBondContact O-N 3.07Å
408	Q	95	Very high	95.8	Very high	27 Å²	27	50.5 Å²	50.5	13%	0.126	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-61.2	-33.4	177.8	-67.9	179.9	-34.3	0	0	112.5	E97 A404 D405 A410 I411	E97-Q408 PolarHBondContact O-NE2 3.23Å; A404-Q408 HydrophobicContact CB-CB 4.07Å; D405-Q408 PolarHBondContact O-N 3.31Å; D405-Q408 PolarHBondContact OD1-N 3.38Å; Q408-A410 VanDerWaalsContact C-N 3.26Å; Q408-A410 PolarHBondContact O-N 3.03Å; Q408-I411 PolarHBondContact O-N 2.7Å
409	K	93.1	Very high	95.9	Very high	154 Å²	154	47.8 Å²	47.8	67%	0.67	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-66.8	-23.5	173.8	-75.1	-178.2	-178	-179.5	0	114	A404 D405 K407 I411	A404-K409 HydrophobicContact CB-CG 3.57Å; A404-K409 WeakPolarHBondContact O-CE 3.38Å; D405-K409 WeakPolarHBondContact O-CG 3.41Å; D405-K409 PolarHBondContact O-N 2.92Å; K407-K409 PolarHBondContact O-N 2.82Å; K409-I411 VanDerWaalsContact C-N 3.28Å
410	A	93.8	Very high	95.9	Very high	78 Å²	78	47.9 Å²	47.9	65%	0.645	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-78.3	-15.9	178.9	0	0	0	0	0	112.4	K407 Q408 P412	K407-A410 WeakPolarHBondContact O-CB 3.45Å; K407-A410 PolarHBondContact O-N 3.07Å; Q408-A410 VanDerWaalsContact C-N 3.26Å; Q408-A410 PolarHBondContact O-N 3.03Å; A410-P412 WeakPolarHBondContact O-CD 3.4Å
411	I	95.7	Very high	96	Very high	13 Å²	13	47.9 Å²	47.9	7%	0.067	26%	0.258	C	S	.	.	S	Bend	trans	-73.9	115.3	175.4	-54.6	171.3	0	0	0	108.3	E143 W224 R225 Q229 Q408 K409 A414	E143-I411 HydrophobicContact CG-CD1 4.43Å; E143-I411 HydrophobicContact CG-CG1 4.32Å; W224-I411 HydrophobicContact CH2-CD1 4.24Å; W224-I411 HydrophobicContact CH2-CG2 3.62Å; W224-I411 HydrophobicContact CZ2-CG2 3.96Å; R225-I411 HydrophobicContact CG-CG2 4.11Å; Q229-I411 HydrophobicContact CG-CD1 4.21Å; Q408-I411 PolarHBondContact O-N 2.7Å; K409-I411 VanDerWaalsContact C-N 3.28Å; I411-A414 HydrophobicContact CB-CB 3.9Å; I411-A414 HydrophobicContact CG2-CB 3.67Å; I411-A414 WeakPolarHBondContact O-CB 3.46Å
412	P	94.7	Very high	96.1	Very high	53 Å²	53	45.5 Å²	45.5	34%	0.344	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	145.5	-176.5	28.5	-34.4	0	0	0	111.2	T139 R225 A410 A414	T139-P412 HydrophobicContact CG2-CG 3.5Å; R225-P412 VanDerWaalsContact CD-O 3.23Å; R225-P412 WeakPolarHBondContact CD-O 3.33Å; A410-P412 WeakPolarHBondContact O-CD 3.4Å; P412-A414 PolarHBondContact O-N 2.79Å
413	Y	94.5	Very high	96.2	Very high	145 Å²	145	45.2 Å²	45.2	57%	0.569	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	19.9	178.8	-52.6	-72.6	0	0	0	115.5	W369 H371	W369-Y413 HydrophobicContact CH2-CD1 4.4Å; W369-Y413 HydrophobicContact CZ3-CD1 4.39Å; H371-Y413 AromaticContact CD2-CD1 3.96Å; H371-Y413 AromaticContact CE1-CD1 3.88Å; H371-Y413 AromaticContact CE1-CE1 3.39Å; H371-Y413 WeakPolarHBondContact CE1-CE1 3.3Å; H371-Y413 AromaticContact ND1-CE1 3.89Å; H371-Y413 AromaticContact NE2-CD1 3.59Å; H371-Y413 AromaticContact NE2-CE1 3.59Å
414	A	95.6	Very high	96.3	Very high	8 Å²	8	43 Å²	43	7%	0.066	23%	0.227	C	C	.	.			trans	-93.2	-178	173.6	0	0	0	0	0	111.9	Q229 I411 P412 V416	Q229-A414 HydrophobicContact CB-CB 3.88Å; I411-A414 HydrophobicContact CB-CB 3.9Å; I411-A414 HydrophobicContact CG2-CB 3.67Å; I411-A414 WeakPolarHBondContact O-CB 3.46Å; P412-A414 PolarHBondContact O-N 2.79Å; A414-V416 PolarHBondContact O-N 2.99Å
415	R	96.8	Very high	96.4	Very high	17 Å²	17	43.4 Å²	43.4	6%	0.064	23%	0.225	C	C	.	.	S	Bend	trans	57.6	49.6	169.8	-43.6	-51.3	-61.8	-175.6	2	112.8	E97 Q229 V402 P403 A404	E97-R415 PolarHBondContact O-NH1 2.96Å; E97-R415 PolarHBondContact O-NH2 2.84Å; Q229-R415 PolarHBondContact O-N 3.14Å; Q229-R415 VanDerWaalsContact O-N 3.07Å; V402-R415 HydrophobicContact CB-CB 4.23Å; V402-R415 HydrophobicContact CG1-CB 4.15Å; P403-R415 PolarHBondContact O-NE 3.1Å; P403-R415 PolarHBondContact O-NH2 3.33Å; A404-R415 HydrophobicContact CB-CB 4.34Å; A404-R415 HydrophobicContact CB-CG 3.83Å
416	V	97.7	Very high	96.4	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.024	21%	0.214	C	C	.	.			trans	-131	147	179.7	59.1	0	0	0	0	110	V230 K231 M329 S367 W369 A414 H418	V230-V416 HydrophobicContact CB-CG1 4.44Å; V230-V416 HydrophobicContact CG1-CG1 3.71Å; V230-V416 WeakPolarHBondContact CG1-O 3.14Å; V230-V416 HydrophobicContact CG2-CG1 4.04Å; K231-V416 PolarHBondContact N-O 2.85Å; M329-V416 HydrophobicContact CG-CG2 4.19Å; S367-V416 VanDerWaalsContact OG-CG2 3.27Å; S367-V416 WeakPolarHBondContact OG-CG2 3.09Å; W369-V416 HydrophobicContact CB-CB 4.26Å; W369-V416 HydrophobicContact CB-CG2 4.17Å; W369-V416 HydrophobicContact CD2-CB 3.7Å; W369-V416 HydrophobicContact CD2-CG2 3.37Å; W369-V416 HydrophobicContact CE3-CB 3.58Å; W369-V416 HydrophobicContact CE3-CG1 4.07Å; W369-V416 HydrophobicContact CE3-CG2 3.78Å; W369-V416 HydrophobicContact CG-CB 3.99Å; W369-V416 HydrophobicContact CG-CG2 3.53Å; W369-V416 HydrophobicContact CZ2-CG2 4.32Å; W369-V416 HydrophobicContact CZ3-CB 4.16Å; W369-V416 HydrophobicContact CZ3-CG1 4.14Å; W369-V416 HydrophobicContact CZ3-CG2 4.34Å; A414-V416 PolarHBondContact O-N 2.99Å; V416-H418 HydrophobicContact CG1-CB 4.38Å; V416-H418 PolarHBondContact O-N 3.35Å
417	N	98.3	Very high	96.6	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	B	Isolated β-bridge	trans	-85.9	102	165.2	179.3	3.8	0	0	0	108.6	M329 S367 F400 N419	M329-N417 WeakPolarHBondContact CA-O 3.28Å; M329-N417 WeakPolarHBondContact CB-O 3.32Å; S367-N417 WeakPolarHBondContact CB-O 3.35Å; S367-N417 PolarHBondContact OG-N 2.85Å; S367-N417 VanDerWaalsContact OG-N 3.08Å; S367-N417 PolarHBondContact OG-O 2.67Å; F400-N417 HydrophobicContact CD1-CB 3.53Å; F400-N417 HydrophobicContact CE1-CB 3.96Å; F400-N417 HydrophobicContact CG-CB 4.35Å; N417-N419 WeakPolarHBondContact OD1-CB 3.44Å; N417-N419 PolarHBondContact OD1-N 2.95Å; N417-N419 PolarHBondContact OD1-ND2 2.88Å; N417-N419 VanDerWaalsContact OD1-ND2 3.1Å
418	H	98.5	Very high	96.8	Very high	14 Å²	14	28.6 Å²	28.6	7%	0.065	15%	0.146	C	C	.	.			trans	-99.5	19.9	-173.1	-167.3	-110.1	0	0	0	112.5	S219 V230 K231 E232 M329 V416 K420	S219-H418 WeakPolarHBondContact CB-O 3.47Å; S219-H418 PolarHBondContact O-CE1 2.87Å; S219-H418 PolarHBondContact O-ND1 2.73Å; S219-H418 PolarHBondContact OG-O 3.01Å; V230-H418 HydrophobicContact CG1-CB 3.38Å; K231-H418 WeakPolarHBondContact O-CA 3.13Å; K231-H418 PolarHBondContact O-N 3.23Å; E232-H418 WeakPolarHBondContact OE1-CB 3.31Å; E232-H418 IonicContact OE1-CE1 3.72Å; E232-H418 IonicContact OE1-CG 3.45Å; E232-H418 IonicContact OE1-ND1 3.26Å; E232-H418 PolarHBondContact OE1-ND1 3.42Å; E232-H418 WeakPolarHBondContact OE2-CB 3.37Å; E232-H418 IonicContact OE2-CG 3.42Å; E232-H418 IonicContact OE2-ND1 2.74Å; E232-H418 PolarHBondContact OE2-ND1 2.97Å; M329-H418 PolarHBondContact SD-CD2 2.83Å; V416-H418 HydrophobicContact CG1-CB 4.38Å; V416-H418 PolarHBondContact O-N 3.35Å; H418-K420 PolarHBondContact CD2-NZ 2.8Å; H418-K420 WeakPolarHBondContact CE1-CE 3.48Å; H418-K420 PolarHBondContact CE1-NZ 3.25Å; H418-K420 VanDerWaalsContact CE1-NZ 3.35Å; H418-K420 WeakPolarHBondContact NE2-CE 3.47Å; H418-K420 PolarHBondContact NE2-NZ 3.05Å; H418-K420 VanDerWaalsContact O-CD 3.23Å; H418-K420 WeakPolarHBondContact O-CD 3.49Å; H418-K420 WeakPolarHBondContact O-CE 3.47Å; H418-K420 PolarHBondContact O-NZ 3.08Å
419	N	98.2	Very high	97	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.141	C	C	.	.			trans	-60.6	156.9	176.7	-68.8	-14.1	0	0	0	113.6	E232 L233 A327 V328 M329 N417 Y421	E232-N419 WeakPolarHBondContact CA-OD1 3.13Å; L233-N419 WeakPolarHBondContact CB-OD1 3.41Å; L233-N419 PolarHBondContact N-OD1 2.84Å; L233-N419 VanDerWaalsContact N-OD1 3.15Å; A327-N419 HydrophobicContact CB-CB 4.31Å; A327-N419 CarbonylContact O-C 3.58Å; V328-N419 VanDerWaalsContact CA-O 3.27Å; V328-N419 WeakPolarHBondContact CA-O 3.49Å; M329-N419 PolarHBondContact N-O 2.86Å; M329-N419 VanDerWaalsContact N-O 3.14Å; N417-N419 WeakPolarHBondContact OD1-CB 3.44Å; N417-N419 PolarHBondContact OD1-N 2.95Å; N417-N419 PolarHBondContact OD1-ND2 2.88Å; N417-N419 VanDerWaalsContact OD1-ND2 3.1Å; N419-Y421 HydrophobicContact CB-CD1 3.93Å; N419-Y421 HydrophobicContact CB-CE1 4.07Å
420	K	98.2	Very high	97.3	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.017	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	65.4	170.3	-59.1	93.6	177	71.8	0	111.1	H418 G431 S433 N434	H418-K420 PolarHBondContact CD2-NZ 2.8Å; H418-K420 WeakPolarHBondContact CE1-CE 3.48Å; H418-K420 PolarHBondContact CE1-NZ 3.25Å; H418-K420 VanDerWaalsContact CE1-NZ 3.35Å; H418-K420 WeakPolarHBondContact NE2-CE 3.47Å; H418-K420 PolarHBondContact NE2-NZ 3.05Å; H418-K420 VanDerWaalsContact O-CD 3.23Å; H418-K420 WeakPolarHBondContact O-CD 3.49Å; H418-K420 WeakPolarHBondContact O-CE 3.47Å; H418-K420 PolarHBondContact O-NZ 3.08Å; K420-G431 PolarHBondContact O-N 3.37Å; K420-S433 WeakPolarHBondContact CB-O 3.34Å; K420-S433 WeakPolarHBondContact CG-O 3.06Å; K420-N434 PolarHBondContact NZ-OD1 3.12Å
421	Y	98.8	Very high	97.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	159.2	-178.7	76.6	-103	0	0	0	112.9	L233 A327 N419 V423 Y429 L464 F468	L233-Y421 HydrophobicContact CB-CD1 4.33Å; L233-Y421 HydrophobicContact CD1-CD1 4.03Å; L233-Y421 HydrophobicContact CD1-CE1 3.86Å; L233-Y421 HydrophobicContact CD2-CD1 3.8Å; L233-Y421 HydrophobicContact CD2-CE1 4.47Å; L233-Y421 HydrophobicContact CD2-CG 4.23Å; L233-Y421 HydrophobicContact CG-CD1 4.27Å; A327-Y421 HydrophobicContact CB-CD1 4.06Å; A327-Y421 HydrophobicContact CB-CE1 3.5Å; A327-Y421 HydrophobicContact CB-CE2 3.96Å; A327-Y421 VanDerWaalsContact CB-CZ 3.42Å; A327-Y421 PolarHBondContact N-O 3.48Å; A327-Y421 PolarHBondContact O-N 3.49Å; A327-Y421 VanDerWaalsContact O-N 3.08Å; N419-Y421 HydrophobicContact CB-CD1 3.93Å; N419-Y421 HydrophobicContact CB-CE1 4.07Å; Y421-V423 HydrophobicContact CE2-CG1 4.47Å; Y421-Y429 CarbonylContact C-O 3.56Å; Y421-Y429 WeakPolarHBondContact CA-O 3.23Å; Y421-Y429 VanDerWaalsContact CB-O 3.24Å; Y421-Y429 WeakPolarHBondContact CB-O 3.31Å; Y421-L464 HydrophobicContact CD1-CD1 4.15Å; Y421-L464 HydrophobicContact CD2-CD1 3.66Å; Y421-L464 HydrophobicContact CD2-CD2 3.87Å; Y421-L464 HydrophobicContact CD2-CG 3.79Å; Y421-L464 HydrophobicContact CE1-CD1 4.23Å; Y421-L464 HydrophobicContact CE2-CD1 3.8Å; Y421-L464 HydrophobicContact CE2-CG 3.99Å; Y421-L464 HydrophobicContact CG-CD1 3.87Å; Y421-L464 HydrophobicContact CG-CD2 4.33Å; Y421-L464 HydrophobicContact CG-CG 4.41Å; Y421-F468 HydrophobicContact CE2-CB 4.13Å; Y421-F468 HydrophobicContact CE2-CD2 4.08Å; Y421-F468 VanDerWaalsContact OH-CA 3.22Å; Y421-F468 WeakPolarHBondContact OH-CA 3.48Å; Y421-F468 WeakPolarHBondContact OH-CB 3.42Å; Y421-F468 PolarHBondContact OH-N 3.45Å
422	M	98.8	Very high	97.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	143.8	168.1	173.5	177.8	56.9	0	0	109.3	L313 V316 I317 I324 Y325 I326 T424 Y429 W435	L313-M422 HydrophobicContact CG-CE 4.46Å; V316-M422 HydrophobicContact CB-CE 3.64Å; V316-M422 HydrophobicContact CG1-CE 3.36Å; V316-M422 HydrophobicContact CG1-SD 4.48Å; I317-M422 HydrophobicContact CD1-SD 4.34Å; I317-M422 HydrophobicContact CG1-CE 3.91Å; I317-M422 HydrophobicContact CG1-SD 3.55Å; I317-M422 VanDerWaalsContact CG1-SD 3.55Å; I324-M422 HydrophobicContact CG2-CG 4.19Å; I324-M422 HydrophobicContact CG2-SD 3.7Å; Y325-M422 CarbonylContact O-C 3.57Å; Y325-M422 VanDerWaalsContact O-CA 3.26Å; Y325-M422 WeakPolarHBondContact O-CA 3.23Å; I326-M422 HydrophobicContact CD1-SD 4.42Å; I326-M422 HydrophobicContact CG1-CB 4.09Å; I326-M422 HydrophobicContact CG1-CG 3.83Å; I326-M422 HydrophobicContact CG1-SD 4.08Å; M422-T424 HydrophobicContact CG-CG2 4.35Å; M422-T424 HydrophobicContact SD-CG2 4.38Å; M422-Y429 PolarHBondContact N-O 2.93Å; M422-Y429 PolarHBondContact O-N 3.06Å; M422-W435 HydrophobicContact CB-CH2 3.91Å; M422-W435 HydrophobicContact CB-CZ2 4.02Å; M422-W435 HydrophobicContact CE-CH2 4.4Å; M422-W435 HydrophobicContact CG-CH2 4.38Å; M422-W435 HydrophobicContact SD-CH2 3.91Å
423	V	98.8	Very high	97.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	129.1	171.6	61.5	0	0	0	0	109.5	Y325 Y421 V427 Q461 L464 K465 F468	Y325-V423 HydrophobicContact CD2-CG1 4.37Å; Y325-V423 PolarHBondContact N-O 3.07Å; Y325-V423 PolarHBondContact O-N 3.42Å; Y421-V423 HydrophobicContact CE2-CG1 4.47Å; V423-V427 WeakPolarHBondContact CA-O 3.38Å; V423-Q461 HydrophobicContact CG2-CG 3.98Å; V423-L464 HydrophobicContact CB-CB 4.46Å; V423-L464 HydrophobicContact CB-CD2 4.03Å; V423-L464 HydrophobicContact CB-CG 4.07Å; V423-L464 HydrophobicContact CG1-CG 4.48Å; V423-L464 HydrophobicContact CG2-CB 4.37Å; V423-K465 HydrophobicContact CG1-CB 4.38Å; V423-K465 HydrophobicContact CG2-CB 4.07Å; V423-F468 HydrophobicContact CG1-CB 4.32Å
424	T	98.6	Very high	97.8	Very high	0 Å²	0	6.8 Å²	6.8	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-179.5	173.8	71	0	0	0	0	109.5	V316 A320 F323 I324 M422 K426 V427 Q461	V316-T424 HydrophobicContact CG1-CG2 3.79Å; A320-T424 HydrophobicContact CB-CG2 3.81Å; F323-T424 VanDerWaalsContact CZ-C 3.4Å; F323-T424 WeakPolarHBondContact CZ-O 3.48Å; F323-T424 WeakPolarHBondContact O-CA 3.35Å; F323-T424 WeakPolarHBondContact O-CB 3.35Å; I324-T424 HydrophobicContact CG1-CG2 4.23Å; M422-T424 HydrophobicContact CG-CG2 4.35Å; M422-T424 HydrophobicContact SD-CG2 4.38Å; T424-K426 PolarHBondContact O-N 3.04Å; T424-K426 VanDerWaalsContact O-N 3.17Å; T424-K426 PolarHBondContact OG1-N 3.39Å; T424-V427 PolarHBondContact N-O 3.28Å; T424-V427 PolarHBondContact OG1-N 3.45Å; T424-Q461 PolarHBondContact O-NE2 3.15Å
425	D	96.3	Very high	97.9	Very high	36 Å²	36	6.5 Å²	6.5	19%	0.193	3%	0.032	C	C	.	.	S	Bend	trans	-59.3	-19.6	172.2	47.9	-68.3	0	0	0	114.1	E321 E322 F323	E321-D425 PolarHBondContact N-OD1 2.94Å; E321-D425 PolarHBondContact N-OD2 3.48Å; E322-D425 HydrophobicContact CB-CB 3.99Å; E322-D425 HydrophobicContact CG-CB 4.24Å; E322-D425 PolarHBondContact N-OD1 3.49Å; F323-D425 HydrophobicContact CD1-CB 4.05Å; F323-D425 HydrophobicContact CE1-CB 3.75Å; F323-D425 HydrophobicContact CZ-CB 4.36Å; F323-D425 PolarHBondContact N-OD1 3.48Å
426	K	95.5	Very high	97.9	Very high	40 Å²	40	5.7 Å²	5.7	17%	0.174	3%	0.029	C	C	.	.	S	Bend	trans	-116.9	-32.5	-175.8	-62.6	169.8	-177.2	172.5	0	114.3	D319 E321 T424 N451	D319-K426 PolarHBondContact O-NZ 3.01Å; D319-K426 IonicContact OD1-NZ 3.65Å; D319-K426 PolarHBondContact OD1-NZ 2.9Å; D319-K426 WeakPolarHBondContact OD2-CD 3.35Å; D319-K426 IonicContact OD2-NZ 3.83Å; E321-K426 VanDerWaalsContact CD-NZ 3.28Å; E321-K426 WeakPolarHBondContact OE1-CE 3.13Å; E321-K426 IonicContact OE1-NZ 3.74Å; E321-K426 PolarHBondContact OE1-NZ 3.48Å; T424-K426 PolarHBondContact O-N 3.04Å; T424-K426 VanDerWaalsContact O-N 3.17Å; T424-K426 PolarHBondContact OG1-N 3.39Å; K426-N451 PolarHBondContact O-OD1 2.94Å
427	V	98	Very high	97.9	Very high	7 Å²	7	5.5 Å²	5.5	4%	0.042	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	139.7	-162.5	178.1	0	0	0	0	112.2	V316 V423 T424 V449 V450 N451	V316-V427 HydrophobicContact CB-CG1 4.49Å; V316-V427 HydrophobicContact CG1-CB 3.8Å; V316-V427 HydrophobicContact CG1-CG1 3.74Å; V316-V427 HydrophobicContact CG1-CG2 4.46Å; V316-V427 HydrophobicContact CG2-CG1 3.83Å; V423-V427 WeakPolarHBondContact CA-O 3.38Å; T424-V427 PolarHBondContact N-O 3.28Å; T424-V427 PolarHBondContact OG1-N 3.45Å; V427-V449 HydrophobicContact CG1-CG1 3.45Å; V427-V449 VanDerWaalsContact CG1-CG1 3.45Å; V427-V450 WeakPolarHBondContact CA-O 3.08Å; V427-N451 HydrophobicContact CG2-CB 4.08Å
428	A	98.3	Very high	97.8	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.2	160.9	0	0	0	0	0	110.2	V449 V450 V460 Q461 L464	A428-V449 WeakPolarHBondContact O-CA 3.4Å; A428-V450 PolarHBondContact N-O 3.01Å; A428-V450 PolarHBondContact O-N 3.42Å; A428-V460 HydrophobicContact CB-CG1 4.32Å; A428-Q461 HydrophobicContact CB-CB 4.37Å; A428-L464 HydrophobicContact CB-CD2 3.75Å
429	Y	98.8	Very high	97.8	Very high	3 Å²	3	5.7 Å²	5.7	1%	0.012	3%	0.028	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	119.6	172.6	179.1	-76.1	0	0	0	108.9	D309 L313 Y421 M422 A447 V449	D309-Y429 PolarHBondContact OD1-OH 2.74Å; D309-Y429 PolarHBondContact OD2-OH 3.42Å; L313-Y429 HydrophobicContact CB-CE2 4.09Å; Y421-Y429 CarbonylContact C-O 3.56Å; Y421-Y429 WeakPolarHBondContact CA-O 3.23Å; Y421-Y429 VanDerWaalsContact CB-O 3.24Å; Y421-Y429 WeakPolarHBondContact CB-O 3.31Å; M422-Y429 PolarHBondContact N-O 2.93Å; M422-Y429 PolarHBondContact O-N 3.06Å; Y429-A447 HydrophobicContact CD1-CB 4.37Å; Y429-A447 HydrophobicContact CD2-CB 4.34Å; Y429-A447 HydrophobicContact CE1-CB 3.68Å; Y429-A447 HydrophobicContact CE2-CB 3.67Å; Y429-A447 WeakPolarHBondContact OH-CB 3.01Å; Y429-V449 HydrophobicContact CD2-CG2 3.73Å; Y429-V449 HydrophobicContact CE2-CG2 4.18Å
430	I	98.9	Very high	97.7	Very high	3 Å²	3	5.9 Å²	5.9	2%	0.015	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	110.8	-179.8	-58.7	169.9	0	0	0	108.1	L91 L233 A235 A447 L448 L464	L91-I430 HydrophobicContact CD2-CD1 3.52Å; L233-I430 HydrophobicContact CD2-CD1 4.49Å; L233-I430 HydrophobicContact CD2-CG1 4.34Å; L233-I430 HydrophobicContact CD2-CG2 4.18Å; A235-I430 HydrophobicContact CB-CD1 3.82Å; I430-A447 CarbonylContact O-C 3.52Å; I430-A447 VanDerWaalsContact O-CA 3.27Å; I430-A447 WeakPolarHBondContact O-CA 3.45Å; I430-L448 PolarHBondContact N-O 3.15Å; I430-L448 PolarHBondContact O-N 3.07Å; I430-L464 HydrophobicContact CG1-CD2 4.1Å
431	G	98.2	Very high	97.7	Very high	2 Å²	2	9.2 Å²	9.2	2%	0.021	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	179.6	-173.1	0	0	0	0	0	114.6	K420 S446	K420-G431 PolarHBondContact O-N 3.37Å; G431-S446 WeakPolarHBondContact CA-O 3.11Å
432	T	98.1	Very high	97.6	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.055	C	C	.	.	S	Bend	trans	-106.8	-10.3	176.9	62.9	0	0	0	0	113.2	H204 T205 K206 I217 G218 G445 S446	H204-T432 PolarHBondContact CE1-O 2.9Å; H204-T432 VanDerWaalsContact CE1-O 3.27Å; H204-T432 PolarHBondContact ND1-O 2.9Å; H204-T432 WeakPolarHBondContact O-CB 3.29Å; T205-T432 HydrophobicContact CG2-CG2 4.43Å; K206-T432 HydrophobicContact CD-CG2 4.32Å; I217-T432 HydrophobicContact CG1-CG2 4.27Å; G218-T432 WeakPolarHBondContact O-CG2 3.35Å; T432-G445 WeakPolarHBondContact OG1-CA 3.26Å; T432-S446 WeakPolarHBondContact CG2-O 3.24Å; T432-S446 PolarHBondContact N-O 2.77Å; T432-S446 VanDerWaalsContact N-O 3.07Å; T432-S446 PolarHBondContact OG1-N 2.86Å; T432-S446 PolarHBondContact OG1-O 2.86Å
433	S	96.3	Very high	97.5	Very high	3 Å²	3	11 Å²	11	2%	0.021	6%	0.056	C	C	.	.			trans	-106.8	133.9	-163.2	-76.1	0	0	0	0	113.6	K420	K420-S433 WeakPolarHBondContact CB-O 3.34Å; K420-S433 WeakPolarHBondContact CG-O 3.06Å
434	N	97.1	Very high	97.5	Very high	2 Å²	2	11 Å²	11	1%	0.011	6%	0.056	C	C	.	.			trans	-69.2	161.8	168.2	-66.5	-45.2	0	0	0	110.4	M329 N330 K420 S436 Y439	M329-N434 WeakPolarHBondContact CB-OD1 3.14Å; N330-N434 HydrophobicContact CB-CB 4.26Å; K420-N434 PolarHBondContact NZ-OD1 3.12Å; N434-S436 PolarHBondContact O-N 3.26Å; N434-Y439 HydrophobicContact CB-CD1 4.37Å; N434-Y439 HydrophobicContact CB-CD2 3.86Å; N434-Y439 HydrophobicContact CB-CE1 4.09Å; N434-Y439 HydrophobicContact CB-CE2 3.58Å; N434-Y439 HydrophobicContact CB-CG 4.25Å; N434-Y439 PolarHBondContact ND2-OH 2.93Å; N434-Y439 WeakPolarHBondContact O-CB 3.35Å
435	W	97.8	Very high	97.4	Very high	2 Å²	2	11 Å²	11	1%	0.008	6%	0.056	C	C	.	.	B	Isolated β-bridge	trans	-99	72.5	-169.4	-71.7	22.7	0	0	0	111.1	L313 I326 V328 N330 Y331 L332 I347 M422	L313-W435 HydrophobicContact CD1-CD2 4.03Å; L313-W435 HydrophobicContact CD1-CE3 4.42Å; L313-W435 HydrophobicContact CD1-CH2 3.89Å; L313-W435 HydrophobicContact CD1-CZ2 3.5Å; L313-W435 VanDerWaalsContact CD1-CZ2 3.5Å; L313-W435 HydrophobicContact CD1-CZ3 4.32Å; L313-W435 HydrophobicContact CD2-CH2 4.36Å; L313-W435 HydrophobicContact CD2-CZ3 4.42Å; L313-W435 HydrophobicContact CG-CH2 4.15Å; L313-W435 HydrophobicContact CG-CZ2 4.16Å; I326-W435 HydrophobicContact CB-CH2 4.29Å; I326-W435 HydrophobicContact CB-CZ3 4.32Å; I326-W435 HydrophobicContact CD1-CE3 4.4Å; I326-W435 HydrophobicContact CD1-CH2 3.75Å; I326-W435 HydrophobicContact CD1-CZ3 3.38Å; I326-W435 HydrophobicContact CG1-CH2 3.61Å; I326-W435 HydrophobicContact CG1-CZ3 3.75Å; I326-W435 HydrophobicContact CG2-CD2 4.31Å; I326-W435 HydrophobicContact CG2-CE3 3.9Å; I326-W435 HydrophobicContact CG2-CH2 3.66Å; I326-W435 HydrophobicContact CG2-CZ2 4.03Å; I326-W435 HydrophobicContact CG2-CZ3 3.6Å; V328-W435 HydrophobicContact CB-CG 4.41Å; V328-W435 HydrophobicContact CG1-CD2 3.76Å; V328-W435 HydrophobicContact CG1-CG 3.75Å; V328-W435 HydrophobicContact CG1-CZ2 4.3Å; V328-W435 HydrophobicContact CG2-CB 4.44Å; V328-W435 HydrophobicContact CG2-CG 4.41Å; N330-W435 PolarHBondContact O-N 3.16Å; Y331-W435 CarbonylContact C-O 3.52Å; Y331-W435 WeakPolarHBondContact CA-O 3.37Å; Y331-W435 HydrophobicContact CD2-CB 3.95Å; Y331-W435 HydrophobicContact CD2-CE3 4.06Å; Y331-W435 HydrophobicContact CE2-CE3 4.21Å; L332-W435 PolarHBondContact N-O 3.11Å; I347-W435 HydrophobicContact CD1-CB 4.3Å; I347-W435 HydrophobicContact CD1-CD2 4.27Å; I347-W435 HydrophobicContact CD1-CE3 4.14Å; I347-W435 HydrophobicContact CD1-CG 4.34Å; I347-W435 HydrophobicContact CG2-CE3 3.76Å; I347-W435 HydrophobicContact CG2-CZ3 3.81Å; M422-W435 HydrophobicContact CB-CH2 3.91Å; M422-W435 HydrophobicContact CB-CZ2 4.02Å; M422-W435 HydrophobicContact CE-CH2 4.4Å; M422-W435 HydrophobicContact CG-CH2 4.38Å; M422-W435 HydrophobicContact SD-CH2 3.91Å
436	S	97.1	Very high	97.5	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.047	C	C	.	.	S	Bend	trans	-144.7	162.5	170.3	68.7	0	0	0	0	110.7	L332 E336 N434 D438 Y439 F440	L332-S436 WeakPolarHBondContact O-CA 3.43Å; E336-S436 WeakPolarHBondContact OE1-CB 3.4Å; E336-S436 PolarHBondContact OE1-OG 2.96Å; N434-S436 PolarHBondContact O-N 3.26Å; S436-D438 VanDerWaalsContact C-N 3.33Å; S436-D438 PolarHBondContact O-N 3.49Å; S436-Y439 PolarHBondContact O-N 3.16Å; S436-Y439 VanDerWaalsContact O-N 3.12Å; S436-Y439 VanDerWaalsContact OG-CD2 3.26Å; S436-Y439 WeakPolarHBondContact OG-CD2 3.45Å; S436-F440 WeakPolarHBondContact O-CD2 3.36Å
437	G	97.1	Very high	97.7	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-57.1	-40.9	-165.2	0	0	0	0	0	114.3	T334 Y439 F440 L441	T334-G437 PolarHBondContact O-N 2.91Å; G437-Y439 PolarHBondContact O-N 3Å; G437-F440 PolarHBondContact O-N 2.62Å; G437-F440 VanDerWaalsContact O-N 3.11Å; G437-L441 WeakPolarHBondContact O-CB 3.37Å; G437-L441 WeakPolarHBondContact O-CG 3.39Å; G437-L441 PolarHBondContact O-N 2.96Å
438	D	96.6	Very high	97.7	Very high	4 Å²	4	7.1 Å²	7.1	2%	0.021	4%	0.037	C	C	.	.	H	α-helix	trans	-60.5	-32.3	-177.5	-58.1	-81.1	0	0	0	113.1	T335 E336 Y337 T338 S436 F440 L441 N442 T443	T335-D438 VanDerWaalsContact CA-OD2 3.28Å; T335-D438 WeakPolarHBondContact CA-OD2 3.34Å; T335-D438 WeakPolarHBondContact CB-OD2 3.03Å; E336-D438 WeakPolarHBondContact CA-OD2 3.03Å; E336-D438 PolarHBondContact N-OD2 3.48Å; Y337-D438 HydrophobicContact CD2-CB 3.9Å; Y337-D438 PolarHBondContact N-OD2 3.4Å; T338-D438 WeakPolarHBondContact CB-OD1 3.48Å; T338-D438 PolarHBondContact N-OD1 2.94Å; T338-D438 PolarHBondContact OG1-OD1 3.38Å; S436-D438 VanDerWaalsContact C-N 3.33Å; S436-D438 PolarHBondContact O-N 3.49Å; D438-F440 PolarHBondContact O-N 2.52Å; D438-L441 PolarHBondContact O-N 3.38Å; D438-N442 PolarHBondContact O-N 2.95Å; D438-T443 WeakPolarHBondContact O-CB 3.45Å; D438-T443 PolarHBondContact O-N 3.45Å
439	Y	97.5	Very high	97.7	Very high	13 Å²	13	7.3 Å²	7.3	5%	0.051	4%	0.038	C	C	.	.	H	α-helix	trans	-66.5	-25	-179.4	-74.8	-87.6	0	0	0	113.4	H204 S297 Y337 N434 S436 G437 T443	H204-Y439 AromaticContact CE1-CE1 3.96Å; H204-Y439 AromaticContact CG-CE1 3.95Å; H204-Y439 AromaticContact ND1-CE1 3.77Å; S297-Y439 PolarHBondContact OG-O 3.28Å; S297-Y439 VanDerWaalsContact OG-O 3.12Å; Y337-Y439 AromaticContact CE2-CE2 3.64Å; Y337-Y439 HydrophobicContact CE2-CE2 3.64Å; Y337-Y439 AromaticContact CE2-CZ 3.93Å; Y337-Y439 PolarHBondContact OH-OH 2.85Å; Y337-Y439 VanDerWaalsContact OH-OH 3.09Å; N434-Y439 HydrophobicContact CB-CD1 4.37Å; N434-Y439 HydrophobicContact CB-CD2 3.86Å; N434-Y439 HydrophobicContact CB-CE1 4.09Å; N434-Y439 HydrophobicContact CB-CE2 3.58Å; N434-Y439 HydrophobicContact CB-CG 4.25Å; N434-Y439 PolarHBondContact ND2-OH 2.93Å; N434-Y439 WeakPolarHBondContact O-CB 3.35Å; S436-Y439 PolarHBondContact O-N 3.16Å; S436-Y439 VanDerWaalsContact O-N 3.12Å; S436-Y439 VanDerWaalsContact OG-CD2 3.26Å; S436-Y439 WeakPolarHBondContact OG-CD2 3.45Å; G437-Y439 PolarHBondContact O-N 3Å; Y439-T443 HydrophobicContact CD1-CG2 3.93Å; Y439-T443 HydrophobicContact CE1-CG2 4.45Å
440	F	97.9	Very high	97.7	Very high	4 Å²	4	7.3 Å²	7.3	2%	0.018	4%	0.038	C	C	.	.	H	α-helix	trans	-102.5	-26.7	179.3	-60.3	-78.2	0	0	0	112.9	P299 D309 L310 L313 W344 I347 S436 G437 D438	P299-F440 WeakPolarHBondContact CD-O 3.24Å; D309-F440 HydrophobicContact CB-CD1 4.22Å; D309-F440 HydrophobicContact CB-CE1 4.48Å; L310-F440 HydrophobicContact CB-CB 4.06Å; L310-F440 HydrophobicContact CB-CD1 3.91Å; L310-F440 HydrophobicContact CB-CG 4.15Å; L310-F440 HydrophobicContact CD1-CD1 4.34Å; L310-F440 HydrophobicContact CD1-CG 4.23Å; L313-F440 HydrophobicContact CD1-CE1 3.94Å; L313-F440 HydrophobicContact CD1-CZ 3.68Å; W344-F440 HydrophobicContact CH2-CB 4.43Å; W344-F440 AromaticContact CH2-CD2 3.39Å; W344-F440 HydrophobicContact CH2-CD2 3.39Å; W344-F440 AromaticContact CH2-CE2 3.91Å; W344-F440 HydrophobicContact CH2-CE2 3.91Å; W344-F440 HydrophobicContact CH2-CG 4.1Å; W344-F440 HydrophobicContact CZ2-CB 4.26Å; W344-F440 HydrophobicContact CZ2-CD2 4.05Å; W344-F440 HydrophobicContact CZ2-CG 4.39Å; W344-F440 HydrophobicContact CZ3-CD2 4.06Å; W344-F440 HydrophobicContact CZ3-CE2 4.36Å; I347-F440 HydrophobicContact CD1-CD2 4.46Å; I347-F440 HydrophobicContact CD1-CE2 3.64Å; I347-F440 HydrophobicContact CD1-CZ 3.88Å; S436-F440 WeakPolarHBondContact O-CD2 3.36Å; G437-F440 PolarHBondContact O-N 2.62Å; G437-F440 VanDerWaalsContact O-N 3.11Å; D438-F440 PolarHBondContact O-N 2.52Å
441	L	96.9	Very high	97.6	Very high	75 Å²	75	9.1 Å²	9.1	39%	0.393	5%	0.048	S	C	.	.	H	α-helix	trans	-91.4	-38.6	-174.4	-64.3	173.9	0	0	0	113.2	P298 T335 G437 D438	P298-L441 WeakPolarHBondContact CB-O 3.44Å; T335-L441 HydrophobicContact CG2-CD1 4.41Å; G437-L441 WeakPolarHBondContact O-CB 3.37Å; G437-L441 WeakPolarHBondContact O-CG 3.39Å; G437-L441 PolarHBondContact O-N 2.96Å; D438-L441 PolarHBondContact O-N 3.38Å
442	N	96.4	Very high	97.2	Very high	34 Å²	34	9.5 Å²	9.5	18%	0.182	5%	0.05	C	C	.	.	T	Hydrogen-bonded Turn	trans	-129.2	-32	-167.4	-58.4	-34.7	0	0	0	112.9	T199 T338 D438	T199-N442 VanDerWaalsContact CB-O 3.25Å; T199-N442 WeakPolarHBondContact CB-O 3.48Å; T199-N442 WeakPolarHBondContact O-CB 3.28Å; T199-N442 PolarHBondContact OG1-O 3.32Å; T338-N442 PolarHBondContact OG1-ND2 3.04Å; D438-N442 PolarHBondContact O-N 2.95Å
443	T	97.4	Very high	95.6	Very high	4 Å²	4	15 Å²	15	3%	0.025	8%	0.083	C	C	.	.	S	Bend	trans	-88.2	137.6	-174.6	-72.9	0	0	0	0	111.9	V202 H204 S297 P298 D438 Y439 G445	V202-T443 HydrophobicContact CG2-CG2 3.88Å; V202-T443 WeakPolarHBondContact O-CA 3.17Å; V202-T443 WeakPolarHBondContact O-CG2 3.39Å; H204-T443 HydrophobicContact CB-CG2 3.33Å; S297-T443 CarbonylContact C-O 3.44Å; S297-T443 PolarHBondContact OG-O 2.55Å; P298-T443 WeakPolarHBondContact CD-O 3.21Å; D438-T443 WeakPolarHBondContact O-CB 3.45Å; D438-T443 PolarHBondContact O-N 3.45Å; Y439-T443 HydrophobicContact CD1-CG2 3.93Å; Y439-T443 HydrophobicContact CE1-CG2 4.45Å; T443-G445 PolarHBondContact O-N 3.14Å
444	A	98	Very high	94.3	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-78	116.2	175.7	0	0	0	0	0	111.8	M195 V202 L203 H204 T205 Y254 S297	M195-A444 HydrophobicContact CE-CB 3.46Å; M195-A444 VanDerWaalsContact CE-CB 3.46Å; M195-A444 HydrophobicContact SD-CB 4.23Å; V202-A444 PolarHBondContact O-N 3.44Å; L203-A444 HydrophobicContact CD1-CB 3.73Å; H204-A444 CarbonylContact C-O 3.57Å; H204-A444 WeakPolarHBondContact CA-O 3.47Å; H204-A444 PolarHBondContact N-O 3.43Å; T205-A444 PolarHBondContact N-O 2.8Å; T205-A444 VanDerWaalsContact N-O 3.15Å; T205-A444 PolarHBondContact OG1-O 3.49Å; Y254-A444 HydrophobicContact CE1-CB 3.92Å; S297-A444 VanDerWaalsContact O-CA 3.23Å; S297-A444 WeakPolarHBondContact O-CA 3.23Å
445	G	97.6	Very high	92.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	166.5	-178.7	0	0	0	0	0	110.9	T205 S296 S297 T432 T443	T205-G445 WeakPolarHBondContact OG1-CA 3.48Å; S296-G445 WeakPolarHBondContact CA-O 3.36Å; S297-G445 PolarHBondContact N-O 3.41Å; S297-G445 PolarHBondContact O-N 2.93Å; S297-G445 WeakPolarHBondContact OG-CA 3.42Å; S297-G445 PolarHBondContact OG-N 2.76Å; T432-G445 WeakPolarHBondContact OG1-CA 3.26Å; T443-G445 PolarHBondContact O-N 3.14Å
446	S	98.2	Very high	90.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	155.5	177.3	-177.2	0	0	0	0	110.1	S295 G431 T432	S295-S446 WeakPolarHBondContact O-CA 3.35Å; S295-S446 PolarHBondContact O-OG 3.49Å; S295-S446 VanDerWaalsContact O-OG 3.04Å; G431-S446 WeakPolarHBondContact CA-O 3.11Å; T432-S446 WeakPolarHBondContact CG2-O 3.24Å; T432-S446 PolarHBondContact N-O 2.77Å; T432-S446 VanDerWaalsContact N-O 3.07Å; T432-S446 PolarHBondContact OG1-N 2.86Å; T432-S446 PolarHBondContact OG1-O 2.86Å
447	A	98.7	Very high	89.5	Confident	0 Å²	0	39 Å²	39	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	147.4	172.9	0	0	0	0	0	112.1	L294 S295 D309 Y429 I430	L294-A447 VanDerWaalsContact CA-O 3.31Å; L294-A447 WeakPolarHBondContact CA-O 3.4Å; S295-A447 PolarHBondContact N-O 3.08Å; S295-A447 PolarHBondContact O-N 3.12Å; D309-A447 WeakPolarHBondContact OD1-CB 3.33Å; Y429-A447 HydrophobicContact CD1-CB 4.37Å; Y429-A447 HydrophobicContact CD2-CB 4.34Å; Y429-A447 HydrophobicContact CE1-CB 3.68Å; Y429-A447 HydrophobicContact CE2-CB 3.67Å; Y429-A447 WeakPolarHBondContact OH-CB 3.01Å; I430-A447 CarbonylContact O-C 3.52Å; I430-A447 VanDerWaalsContact O-CA 3.27Å; I430-A447 WeakPolarHBondContact O-CA 3.45Å
448	L	98.9	Very high	88.8	Confident	1 Å²	1	42.9 Å²	42.9	1%	0.005	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	125.2	169.5	175.3	67.3	0	0	0	108.9	I89 I217 A235 V237 L243 V292 L294 I430 V450	I89-L448 HydrophobicContact CD1-CD2 4.05Å; I217-L448 HydrophobicContact CD1-CB 4.47Å; I217-L448 HydrophobicContact CG2-CB 3.76Å; I217-L448 HydrophobicContact CG2-CD2 4.06Å; A235-L448 HydrophobicContact CB-CD2 4.03Å; V237-L448 HydrophobicContact CG2-CD2 4.43Å; L243-L448 HydrophobicContact CD2-CD1 4.2Å; V292-L448 HydrophobicContact CG1-CD1 3.59Å; L294-L448 HydrophobicContact CD2-CB 4.18Å; L294-L448 HydrophobicContact CD2-CD1 3.89Å; I430-L448 PolarHBondContact N-O 3.15Å; I430-L448 PolarHBondContact O-N 3.07Å; L448-V450 HydrophobicContact CD1-CG2 4.16Å; L448-V450 HydrophobicContact CD2-CG2 4.14Å; L448-V450 HydrophobicContact CG-CG2 3.89Å
449	V	98.8	Very high	88.7	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.024	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.3	176.5	-171.8	0	0	0	0	109.2	V292 Y293 S312 V316 V427 A428 Y429	V292-V449 WeakPolarHBondContact CA-O 3.31Å; Y293-V449 HydrophobicContact CD1-CB 4.01Å; Y293-V449 HydrophobicContact CD1-CG1 4.29Å; Y293-V449 HydrophobicContact CD2-CB 4.45Å; Y293-V449 HydrophobicContact CD2-CG2 4.49Å; Y293-V449 HydrophobicContact CE1-CB 3.6Å; Y293-V449 HydrophobicContact CE1-CG1 3.52Å; Y293-V449 HydrophobicContact CE1-CG2 4.24Å; Y293-V449 HydrophobicContact CE2-CB 4.07Å; Y293-V449 HydrophobicContact CE2-CG2 3.87Å; Y293-V449 HydrophobicContact CG-CB 4.41Å; Y293-V449 PolarHBondContact N-O 2.93Å; Y293-V449 VanDerWaalsContact N-O 3.08Å; Y293-V449 PolarHBondContact O-N 3.3Å; S312-V449 WeakPolarHBondContact OG-CG2 3.43Å; V316-V449 HydrophobicContact CG2-CG1 4Å; V427-V449 HydrophobicContact CG1-CG1 3.45Å; V427-V449 VanDerWaalsContact CG1-CG1 3.45Å; A428-V449 WeakPolarHBondContact O-CA 3.4Å; Y429-V449 HydrophobicContact CD2-CG2 3.73Å; Y429-V449 HydrophobicContact CE2-CG2 4.18Å
450	V	98.3	Very high	88.5	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.012	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	119	-177.2	179.3	0	0	0	0	109.1	I89 L285 V292 V427 A428 L448 Q452	I89-V450 HydrophobicContact CD1-CG2 4.22Å; L285-V450 HydrophobicContact CD1-CG1 3.62Å; L285-V450 HydrophobicContact CD1-CG2 4.11Å; V292-V450 HydrophobicContact CG1-CG2 4.24Å; V292-V450 HydrophobicContact CG2-CG2 4.44Å; V427-V450 WeakPolarHBondContact CA-O 3.08Å; A428-V450 PolarHBondContact N-O 3.01Å; A428-V450 PolarHBondContact O-N 3.42Å; L448-V450 HydrophobicContact CD1-CG2 4.16Å; L448-V450 HydrophobicContact CD2-CG2 4.14Å; L448-V450 HydrophobicContact CG-CG2 3.89Å; V450-Q452 HydrophobicContact CG1-CG 3.82Å
451	N	96.4	Very high	88.4	Confident	42 Å²	42	43.3 Å²	43.3	23%	0.225	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	120.4	166.8	-175	-21.9	0	0	0	108.5	S290 S291 K426 V427	S290-N451 WeakPolarHBondContact CA-O 3.49Å; S291-N451 PolarHBondContact N-O 2.76Å; S291-N451 PolarHBondContact O-N 3.34Å; K426-N451 PolarHBondContact O-OD1 2.94Å; V427-N451 HydrophobicContact CG2-CB 4.08Å
452	Q	89.3	Confident	88.3	Confident	10 Å²	10	41.7 Å²	41.7	5%	0.047	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	113.7	177.8	-82.7	-179.6	-52.1	0	0	108.6	L285 T288 S290 V450 T459	L285-Q452 PolarHBondContact O-NE2 3.34Å; T288-Q452 HydrophobicContact CG2-CB 4.4Å; T288-Q452 HydrophobicContact CG2-CG 4.35Å; S290-Q452 WeakPolarHBondContact OG-CG 3.27Å; S290-Q452 PolarHBondContact OG-NE2 3.41Å; V450-Q452 HydrophobicContact CG1-CG 3.82Å; Q452-T459 HydrophobicContact CB-CG2 3.9Å
453	T	66.2	Low	88.3	Confident	115 Å²	115	42.7 Å²	42.7	71%	0.706	24%	0.236	S	C	*	.			trans	-113.6	82.3	179	9.2	0	0	0	0	108.2
454	D	68.6	Low	88.3	Confident	74 Å²	74	42.5 Å²	42.5	40%	0.396	24%	0.235	S	C	.	.			trans	-151.5	153.7	167.4	-148.7	-21.9	0	0	0	111.6	T288	T288-D454 HydrophobicContact CG2-CB 3.57Å
455	L	59.8	Low	88.3	Confident	175 Å²	175	46 Å²	46	92%	0.916	25%	0.251	S	S	*	.	S	Bend	trans	-93.9	-2	-176.7	-66.7	170.7	0	0	0	113.1
456	L	63.3	Low	88.3	Confident	130 Å²	130	47.8 Å²	47.8	68%	0.681	27%	0.265	S	S	*	.	S	Bend	trans	-115.8	131	-176.3	-65.5	168.6	0	0	0	110.7
457	D	67.1	Low	88.3	Confident	133 Å²	133	47.8 Å²	47.8	71%	0.711	27%	0.265	S	S	*	.	S	Bend	trans	62.7	149.6	-172	-70.3	-30.7	0	0	0	116	T459	D457-T459 PolarHBondContact O-N 2.74Å
458	P	83.6	Confident	88.3	Confident	80 Å²	80	47.8 Å²	47.8	52%	0.519	27%	0.265	S	S	.	.			trans	-68	105.6	179.6	26.6	-32.6	0	0	0	110	S462 Q463	P458-S462 WeakPolarHBondContact CA-OG 3.4Å; P458-Q463 HydrophobicContact CB-CG 4.1Å; P458-Q463 PolarHBondContact O-NE2 3.28Å
459	T	92.8	Very high	88.3	Confident	9 Å²	9	49.7 Å²	49.7	6%	0.055	27%	0.274	C	S	.	.			trans	-58.7	157.7	171.3	67.6	0	0	0	0	111.1	T288 Q452 D457 Q461 S462 Q463	T288-T459 HydrophobicContact CG2-CG2 4.25Å; Q452-T459 HydrophobicContact CB-CG2 3.9Å; D457-T459 PolarHBondContact O-N 2.74Å; T459-Q461 PolarHBondContact O-N 2.99Å; T459-S462 PolarHBondContact N-OG 3Å; T459-S462 PolarHBondContact O-N 3.49Å; T459-S462 PolarHBondContact O-OG 3.19Å; T459-S462 WeakPolarHBondContact OG1-CB 3.23Å; T459-S462 PolarHBondContact OG1-N 3.3Å; T459-S462 PolarHBondContact OG1-OG 3.44Å; T459-Q463 WeakPolarHBondContact O-CG 3.5Å; T459-Q463 PolarHBondContact O-N 3.4Å
460	V	94.2	Very high	88.3	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-57.7	-37.1	173.6	174.3	0	0	0	0	111.4	I89 L91 A428 Q463 L464	I89-V460 HydrophobicContact CB-CG2 4.1Å; I89-V460 HydrophobicContact CD1-CG1 4.26Å; I89-V460 HydrophobicContact CD1-CG2 3.88Å; I89-V460 HydrophobicContact CG1-CG2 3.78Å; I89-V460 HydrophobicContact CG2-CG2 3.23Å; L91-V460 HydrophobicContact CD1-CG1 4.3Å; L91-V460 HydrophobicContact CD2-CG1 3.78Å; L91-V460 HydrophobicContact CG-CG1 3.98Å; A428-V460 HydrophobicContact CB-CG1 4.32Å; V460-Q463 PolarHBondContact O-N 3.26Å; V460-L464 VanDerWaalsContact O-CB 3.29Å; V460-L464 WeakPolarHBondContact O-CB 3.34Å; V460-L464 PolarHBondContact O-N 3.16Å
461	Q	95.3	Very high	88.3	Confident	22 Å²	22	50.3 Å²	50.3	10%	0.103	28%	0.276	C	S	.	.	H	α-helix	trans	-57.7	-48.8	172.5	-179.8	-78.9	-15.8	0	0	111.1	V423 T424 A428 T459 Q463 L464 K465	V423-Q461 HydrophobicContact CG2-CG 3.98Å; T424-Q461 PolarHBondContact O-NE2 3.15Å; A428-Q461 HydrophobicContact CB-CB 4.37Å; T459-Q461 PolarHBondContact O-N 2.99Å; Q461-Q463 VanDerWaalsContact C-N 3.34Å; Q461-Q463 PolarHBondContact O-N 2.62Å; Q461-L464 PolarHBondContact O-N 2.86Å; Q461-K465 WeakPolarHBondContact O-CB 3.48Å; Q461-K465 PolarHBondContact O-N 3.07Å
462	S	95	Very high	88.4	Confident	40 Å²	40	48.5 Å²	48.5	28%	0.28	27%	0.265	S	S	.	.	H	α-helix	trans	-67.8	-35.9	-178.3	74.2	0	0	0	0	112.1	P458 T459 A466	P458-S462 WeakPolarHBondContact CA-OG 3.4Å; T459-S462 PolarHBondContact N-OG 3Å; T459-S462 PolarHBondContact O-N 3.49Å; T459-S462 PolarHBondContact O-OG 3.19Å; T459-S462 WeakPolarHBondContact OG1-CB 3.23Å; T459-S462 PolarHBondContact OG1-N 3.3Å; T459-S462 PolarHBondContact OG1-OG 3.44Å; S462-A466 WeakPolarHBondContact O-CB 3.31Å; S462-A466 PolarHBondContact O-N 3.48Å
463	Q	96.4	Very high	88.8	Confident	55 Å²	55	54 Å²	54	26%	0.257	29%	0.291	S	S	.	.	H	α-helix	trans	-66.7	-44.4	174.9	-65	173.4	18.2	0	0	111.3	L91 P458 T459 V460 Q461 K465 A466 V467	L91-Q463 HydrophobicContact CD1-CB 3.56Å; P458-Q463 HydrophobicContact CB-CG 4.1Å; P458-Q463 PolarHBondContact O-NE2 3.28Å; T459-Q463 WeakPolarHBondContact O-CG 3.5Å; T459-Q463 PolarHBondContact O-N 3.4Å; V460-Q463 PolarHBondContact O-N 3.26Å; Q461-Q463 VanDerWaalsContact C-N 3.34Å; Q461-Q463 PolarHBondContact O-N 2.62Å; Q463-K465 VanDerWaalsContact C-N 3.33Å; Q463-K465 PolarHBondContact O-N 3.41Å; Q463-A466 WeakPolarHBondContact O-CB 3.21Å; Q463-A466 PolarHBondContact O-N 3.38Å; Q463-A466 VanDerWaalsContact O-N 3.13Å; Q463-V467 WeakPolarHBondContact O-CG2 3.28Å; Q463-V467 PolarHBondContact O-N 3.49Å
464	L	97.9	Very high	90.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-65.5	-38.4	178.2	-172.1	59.5	0	0	0	111.3	L91 L233 Y421 V423 A428 I430 V460 Q461 V467 F468	L91-L464 HydrophobicContact CD1-CB 3.88Å; L91-L464 HydrophobicContact CD1-CD1 4.36Å; L233-L464 HydrophobicContact CD1-CD1 3.7Å; L233-L464 HydrophobicContact CD2-CD1 3.82Å; L233-L464 HydrophobicContact CG-CD1 4.44Å; Y421-L464 HydrophobicContact CD1-CD1 4.15Å; Y421-L464 HydrophobicContact CD2-CD1 3.66Å; Y421-L464 HydrophobicContact CD2-CD2 3.87Å; Y421-L464 HydrophobicContact CD2-CG 3.79Å; Y421-L464 HydrophobicContact CE1-CD1 4.23Å; Y421-L464 HydrophobicContact CE2-CD1 3.8Å; Y421-L464 HydrophobicContact CE2-CG 3.99Å; Y421-L464 HydrophobicContact CG-CD1 3.87Å; Y421-L464 HydrophobicContact CG-CD2 4.33Å; Y421-L464 HydrophobicContact CG-CG 4.41Å; V423-L464 HydrophobicContact CB-CB 4.46Å; V423-L464 HydrophobicContact CB-CD2 4.03Å; V423-L464 HydrophobicContact CB-CG 4.07Å; V423-L464 HydrophobicContact CG1-CG 4.48Å; V423-L464 HydrophobicContact CG2-CB 4.37Å; A428-L464 HydrophobicContact CB-CD2 3.75Å; I430-L464 HydrophobicContact CG1-CD2 4.1Å; V460-L464 VanDerWaalsContact O-CB 3.29Å; V460-L464 WeakPolarHBondContact O-CB 3.34Å; V460-L464 PolarHBondContact O-N 3.16Å; Q461-L464 PolarHBondContact O-N 2.86Å; L464-V467 PolarHBondContact O-N 3.43Å; L464-F468 PolarHBondContact O-N 3.41Å
465	K	97.8	Very high	91.6	Very high	75 Å²	75	50.8 Å²	50.8	33%	0.326	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-43.8	170.8	-171.4	-164.1	179.9	-164.9	0	111.4	F323 Y325 V423 Q461 Q463 V467 F468 E469	F323-K465 HydrophobicContact CE1-CD 4.24Å; F323-K465 HydrophobicContact CE2-CD 4.33Å; F323-K465 HydrophobicContact CE2-CG 4.21Å; F323-K465 HydrophobicContact CZ-CD 3.66Å; F323-K465 HydrophobicContact CZ-CG 4.02Å; Y325-K465 HydrophobicContact CD2-CG 4.36Å; Y325-K465 HydrophobicContact CE2-CG 4.34Å; V423-K465 HydrophobicContact CG1-CB 4.38Å; V423-K465 HydrophobicContact CG2-CB 4.07Å; Q461-K465 WeakPolarHBondContact O-CB 3.48Å; Q461-K465 PolarHBondContact O-N 3.07Å; Q463-K465 VanDerWaalsContact C-N 3.33Å; Q463-K465 PolarHBondContact O-N 3.41Å; K465-V467 VanDerWaalsContact C-N 3.34Å; K465-V467 PolarHBondContact O-N 2.86Å; K465-F468 PolarHBondContact O-N 2.97Å; K465-E469 WeakPolarHBondContact O-CG 3.17Å; K465-E469 PolarHBondContact O-N 3.47Å
466	A	98	Very high	93.3	Very high	36 Å²	36	44.7 Å²	44.7	30%	0.298	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-40	177.2	0	0	0	0	0	112	T105 S462 Q463 E469 R470	T105-A466 HydrophobicContact CG2-CB 3.93Å; S462-A466 WeakPolarHBondContact O-CB 3.31Å; S462-A466 PolarHBondContact O-N 3.48Å; Q463-A466 WeakPolarHBondContact O-CB 3.21Å; Q463-A466 PolarHBondContact O-N 3.38Å; Q463-A466 VanDerWaalsContact O-N 3.13Å; A466-E469 PolarHBondContact O-N 3.31Å; A466-R470 VanDerWaalsContact O-CB 3.3Å; A466-R470 WeakPolarHBondContact O-CB 3.38Å; A466-R470 PolarHBondContact O-N 3.15Å
467	V	98.6	Very high	94.9	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	22%	0.223	C	C	.	.	H	α-helix	trans	-61	-47.2	173	168.1	0	0	0	0	110.8	E93 T105 L233 Q463 L464 K465 E469 R470 D471	E93-V467 WeakPolarHBondContact OE1-CG1 3.15Å; T105-V467 HydrophobicContact CG2-CG2 3.88Å; L233-V467 HydrophobicContact CD1-CG1 3.79Å; Q463-V467 WeakPolarHBondContact O-CG2 3.28Å; Q463-V467 PolarHBondContact O-N 3.49Å; L464-V467 PolarHBondContact O-N 3.43Å; K465-V467 VanDerWaalsContact C-N 3.34Å; K465-V467 PolarHBondContact O-N 2.86Å; V467-E469 PolarHBondContact O-N 3.29Å; V467-R470 PolarHBondContact O-N 3.29Å; V467-D471 VanDerWaalsContact O-CG 3.31Å; V467-D471 PolarHBondContact O-N 2.97Å
468	F	98.7	Very high	96.2	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.4	-50.3	176.6	-179	-89	0	0	0	112	Y325 I326 A327 R363 L365 Y421 V423 L464 K465 R470 D471 W472	Y325-F468 HydrophobicContact CD1-CE1 4.02Å; Y325-F468 HydrophobicContact CD1-CZ 4.48Å; Y325-F468 AromaticContact CD2-CD1 3.3Å; Y325-F468 HydrophobicContact CD2-CD1 3.3Å; Y325-F468 AromaticContact CD2-CE1 3.62Å; Y325-F468 HydrophobicContact CD2-CE1 3.62Å; Y325-F468 HydrophobicContact CD2-CG 4.04Å; Y325-F468 HydrophobicContact CE2-CD1 4.02Å; Y325-F468 HydrophobicContact CE2-CE1 4.23Å; Y325-F468 AromaticContact CG-CD1 3.59Å; Y325-F468 HydrophobicContact CG-CD1 3.59Å; Y325-F468 AromaticContact CG-CE1 3.48Å; Y325-F468 HydrophobicContact CG-CE1 3.48Å; Y325-F468 VanDerWaalsContact CG-CE1 3.48Å; Y325-F468 HydrophobicContact CG-CG 4.22Å; Y325-F468 HydrophobicContact CG-CZ 4.03Å; I326-F468 WeakPolarHBondContact O-CE2 3.25Å; A327-F468 HydrophobicContact CB-CD2 4.25Å; A327-F468 HydrophobicContact CB-CE2 4.45Å; R363-F468 HydrophobicContact CB-CE1 3.93Å; R363-F468 HydrophobicContact CB-CZ 3.68Å; L365-F468 HydrophobicContact CB-CE2 3.83Å; L365-F468 HydrophobicContact CB-CZ 4.29Å; Y421-F468 HydrophobicContact CE2-CB 4.13Å; Y421-F468 HydrophobicContact CE2-CD2 4.08Å; Y421-F468 VanDerWaalsContact OH-CA 3.22Å; Y421-F468 WeakPolarHBondContact OH-CA 3.48Å; Y421-F468 WeakPolarHBondContact OH-CB 3.42Å; Y421-F468 PolarHBondContact OH-N 3.45Å; V423-F468 HydrophobicContact CG1-CB 4.32Å; L464-F468 PolarHBondContact O-N 3.41Å; K465-F468 PolarHBondContact O-N 2.97Å; F468-R470 PolarHBondContact O-N 3.36Å; F468-D471 PolarHBondContact O-N 3.11Å; F468-W472 HydrophobicContact CD1-CB 4.31Å; F468-W472 HydrophobicContact CE1-CB 4.05Å; F468-W472 HydrophobicContact CE1-CD2 4.08Å; F468-W472 AromaticContact CE1-CE3 3.85Å; F468-W472 HydrophobicContact CE1-CE3 3.85Å; F468-W472 HydrophobicContact CE1-CG 4.18Å; F468-W472 HydrophobicContact CE2-CE3 4.47Å; F468-W472 HydrophobicContact CZ-CD2 4.23Å; F468-W472 AromaticContact CZ-CE3 3.53Å; F468-W472 HydrophobicContact CZ-CE3 3.53Å; F468-W472 HydrophobicContact CZ-CZ3 4.04Å; F468-W472 WeakPolarHBondContact O-CB 3.33Å; F468-W472 PolarHBondContact O-N 2.68Å
469	E	98.5	Very high	96.7	Very high	40 Å²	40	34.2 Å²	34.2	19%	0.187	20%	0.202	C	C	.	.	H	α-helix	trans	-66.7	-36.7	-177.8	-68.6	-75.5	-161.9	0	0	111.5	Y325 R363 K465 A466 V467 D471 W472 H473	Y325-E469 HydrophobicContact CE2-CG 4.16Å; Y325-E469 WeakPolarHBondContact CE2-OE1 3.33Å; Y325-E469 PolarHBondContact OH-OE1 3.36Å; R363-E469 VanDerWaalsContact NH1-CD 3.33Å; R363-E469 IonicContact NH1-OE1 2.85Å; R363-E469 PolarHBondContact NH1-OE1 2.94Å; R363-E469 IonicContact NH1-OE2 3.45Å; R363-E469 PolarHBondContact NH1-OE2 3.02Å; K465-E469 WeakPolarHBondContact O-CG 3.17Å; K465-E469 PolarHBondContact O-N 3.47Å; A466-E469 PolarHBondContact O-N 3.31Å; V467-E469 PolarHBondContact O-N 3.29Å; E469-D471 PolarHBondContact O-N 2.94Å; E469-W472 PolarHBondContact O-N 2.92Å; E469-H473 WeakPolarHBondContact O-CB 3.38Å; E469-H473 PolarHBondContact O-CD2 3.27Å; E469-H473 PolarHBondContact O-N 2.96Å; E469-H473 IonicContact OE2-CD2 2.65Å; E469-H473 PolarHBondContact OE2-CD2 3.46Å; E469-H473 IonicContact OE2-NE2 3.91Å; E469-H473 PolarHBondContact OE2-NE2 3.31Å
470	R	98.2	Very high	96.5	Very high	20 Å²	20	34.9 Å²	34.9	8%	0.075	21%	0.205	C	C	.	.	H	α-helix	trans	-56.1	-50.6	170.9	180	-163.1	72.6	-156.2	-6.1	110.7	E93 F101 T105 K231 A466 V467 F468 S474	E93-R470 IonicContact OE1-CZ 2.77Å; E93-R470 IonicContact OE1-NH1 2.89Å; E93-R470 IonicContact OE1-NH2 3.47Å; E93-R470 PolarHBondContact OE1-NH2 2.84Å; E93-R470 IonicContact OE2-CZ 2.71Å; E93-R470 IonicContact OE2-NH1 3.23Å; E93-R470 PolarHBondContact OE2-NH1 3.47Å; E93-R470 IonicContact OE2-NH2 3.61Å; E93-R470 PolarHBondContact OE2-NH2 3.46Å; F101-R470 HydrophobicContact CB-CG 3.99Å; F101-R470 HydrophobicContact CD1-CG 3.7Å; F101-R470 HydrophobicContact CE1-CG 4.35Å; F101-R470 HydrophobicContact CG-CG 3.91Å; T105-R470 WeakPolarHBondContact O-CD 3.38Å; T105-R470 PolarHBondContact O-NH1 3.37Å; K231-R470 VanDerWaalsContact NZ-NH2 3.15Å; A466-R470 VanDerWaalsContact O-CB 3.3Å; A466-R470 WeakPolarHBondContact O-CB 3.38Å; A466-R470 PolarHBondContact O-N 3.15Å; V467-R470 PolarHBondContact O-N 3.29Å; F468-R470 PolarHBondContact O-N 3.36Å; R470-S474 WeakPolarHBondContact O-CB 3.12Å; R470-S474 PolarHBondContact O-N 2.86Å; R470-S474 VanDerWaalsContact O-N 3.12Å
471	D	98.4	Very high	95.7	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-68.7	-41.3	-178	-67.9	-2.7	0	0	0	111.2	F101 K231 L365 F400 V467 F468 E469 H473 S474 S477	F101-D471 WeakPolarHBondContact CE1-OD1 3.39Å; F101-D471 VanDerWaalsContact CZ-OD1 3.25Å; F101-D471 WeakPolarHBondContact CZ-OD1 3.46Å; K231-D471 VanDerWaalsContact CE-CG 3.47Å; K231-D471 WeakPolarHBondContact CE-OD2 3.04Å; K231-D471 IonicContact NZ-OD1 3.37Å; K231-D471 IonicContact NZ-OD2 3.5Å; K231-D471 PolarHBondContact NZ-OD2 2.97Å; L365-D471 HydrophobicContact CD2-CB 3.66Å; F400-D471 HydrophobicContact CD2-CB 4.5Å; F400-D471 HydrophobicContact CE2-CB 3.83Å; V467-D471 VanDerWaalsContact O-CG 3.31Å; V467-D471 PolarHBondContact O-N 2.97Å; F468-D471 PolarHBondContact O-N 3.11Å; E469-D471 PolarHBondContact O-N 2.94Å; D471-H473 PolarHBondContact O-N 3.28Å; D471-S474 WeakPolarHBondContact O-CB 3.36Å; D471-S474 PolarHBondContact O-N 3.24Å; D471-S474 PolarHBondContact O-OG 2.02Å; D471-S477 WeakPolarHBondContact O-CB 3.29Å
472	W	98.4	Very high	94.3	Very high	3 Å²	3	49.8 Å²	49.8	1%	0.011	27%	0.266	C	S	.	.	H	α-helix	trans	-60.9	-42	178.4	-178.5	-96.2	0	0	0	112.9	R363 L364 L365 Q396 R398 F468 E469 S477	R363-W472 HydrophobicContact CB-CE3 4.22Å; R363-W472 HydrophobicContact CB-CH2 3.69Å; R363-W472 HydrophobicContact CB-CZ2 4.2Å; R363-W472 HydrophobicContact CB-CZ3 3.71Å; R363-W472 HydrophobicContact CG-CH2 3.85Å; R363-W472 HydrophobicContact CG-CZ2 3.89Å; R363-W472 HydrophobicContact CG-CZ3 4.32Å; L364-W472 WeakPolarHBondContact O-CZ3 3.37Å; L365-W472 HydrophobicContact CB-CE3 4.22Å; L365-W472 HydrophobicContact CB-CZ3 4.48Å; L365-W472 HydrophobicContact CD1-CE3 4.16Å; Q396-W472 HydrophobicContact CB-CH2 3.72Å; Q396-W472 HydrophobicContact CB-CZ2 3.85Å; R398-W472 HydrophobicContact CB-CE3 4.26Å; R398-W472 HydrophobicContact CB-CH2 4.09Å; R398-W472 HydrophobicContact CB-CZ3 3.82Å; R398-W472 HydrophobicContact CG-CD2 4.48Å; R398-W472 HydrophobicContact CG-CE3 4.23Å; R398-W472 HydrophobicContact CG-CH2 3.53Å; R398-W472 HydrophobicContact CG-CZ2 3.8Å; R398-W472 HydrophobicContact CG-CZ3 3.76Å; R398-W472 PolarHBondContact NH1-O 2.98Å; F468-W472 HydrophobicContact CD1-CB 4.31Å; F468-W472 HydrophobicContact CE1-CB 4.05Å; F468-W472 HydrophobicContact CE1-CD2 4.08Å; F468-W472 AromaticContact CE1-CE3 3.85Å; F468-W472 HydrophobicContact CE1-CE3 3.85Å; F468-W472 HydrophobicContact CE1-CG 4.18Å; F468-W472 HydrophobicContact CE2-CE3 4.47Å; F468-W472 HydrophobicContact CZ-CD2 4.23Å; F468-W472 AromaticContact CZ-CE3 3.53Å; F468-W472 HydrophobicContact CZ-CE3 3.53Å; F468-W472 HydrophobicContact CZ-CZ3 4.04Å; F468-W472 WeakPolarHBondContact O-CB 3.33Å; F468-W472 PolarHBondContact O-N 2.68Å; E469-W472 PolarHBondContact O-N 2.92Å; W472-S477 VanDerWaalsContact O-CB 3.31Å; W472-S477 WeakPolarHBondContact O-CB 3.39Å; W472-S477 PolarHBondContact O-OG 3.31Å
473	H	97.8	Very high	92.7	Very high	126 Å²	126	51.5 Å²	51.5	58%	0.583	29%	0.291	S	S	*	.	H	α-helix	trans	-90.2	-1.7	-179.2	-70.8	-65.5	0	0	0	113.9	E469 D471	E469-H473 WeakPolarHBondContact O-CB 3.38Å; E469-H473 PolarHBondContact O-CD2 3.27Å; E469-H473 PolarHBondContact O-N 2.96Å; E469-H473 IonicContact OE2-CD2 2.65Å; E469-H473 PolarHBondContact OE2-CD2 3.46Å; E469-H473 IonicContact OE2-NE2 3.91Å; E469-H473 PolarHBondContact OE2-NE2 3.31Å; D471-H473 PolarHBondContact O-N 3.28Å
474	S	97.4	Very high	91	Very high	18 Å²	18	50 Å²	50	13%	0.126	29%	0.287	C	S	.	.	S	Bend	trans	-69.4	163.1	178.3	74.7	0	0	0	0	113	R470 D471 Y476 S477	R470-S474 WeakPolarHBondContact O-CB 3.12Å; R470-S474 PolarHBondContact O-N 2.86Å; R470-S474 VanDerWaalsContact O-N 3.12Å; D471-S474 WeakPolarHBondContact O-CB 3.36Å; D471-S474 PolarHBondContact O-N 3.24Å; D471-S474 PolarHBondContact O-OG 2.02Å; S474-Y476 PolarHBondContact O-N 2.8Å; S474-Y476 VanDerWaalsContact O-N 3.12Å; S474-Y476 WeakPolarHBondContact OG-CB 3.37Å; S474-Y476 PolarHBondContact OG-N 2.98Å; S474-S477 PolarHBondContact O-N 3.26Å
475	A	95.9	Very high	89.5	Confident	104 Å²	104	53.6 Å²	53.6	86%	0.86	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-9.9	171.6	0	0	0	0	0	113.6
476	Y	96.5	Very high	87.9	Confident	47 Å²	47	50.8 Å²	50.8	18%	0.184	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-4.8	-177.6	-48	-58	0	0	0	112.9	M99 E100 F101 F400 T401 P403 S474	M99-Y476 HydrophobicContact CE-CD1 4.08Å; M99-Y476 HydrophobicContact CE-CD2 3.06Å; M99-Y476 HydrophobicContact CE-CE1 4.44Å; M99-Y476 HydrophobicContact CE-CE2 3.46Å; M99-Y476 VanDerWaalsContact CE-CE2 3.46Å; M99-Y476 HydrophobicContact CE-CG 3.37Å; M99-Y476 HydrophobicContact CG-CD2 4.18Å; M99-Y476 HydrophobicContact CG-CE1 4.43Å; M99-Y476 HydrophobicContact CG-CE2 3.56Å; M99-Y476 HydrophobicContact SD-CD2 4.5Å; M99-Y476 HydrophobicContact SD-CE2 4.43Å; E100-Y476 PolarHBondContact N-OH 2.99Å; E100-Y476 VanDerWaalsContact O-CE2 3.3Å; E100-Y476 WeakPolarHBondContact O-CE2 3.24Å; E100-Y476 PolarHBondContact O-OH 3.45Å; F101-Y476 HydrophobicContact CD1-CD2 4.44Å; F101-Y476 HydrophobicContact CD1-CE2 4.36Å; F101-Y476 AromaticContact CE1-CD2 3.88Å; F101-Y476 HydrophobicContact CE1-CD2 3.88Å; F101-Y476 HydrophobicContact CE1-CE2 4.13Å; F101-Y476 HydrophobicContact CZ-CD2 4.27Å; F101-Y476 HydrophobicContact CZ-CE2 4.43Å; F400-Y476 WeakPolarHBondContact CA-O 3.47Å; T401-Y476 PolarHBondContact N-O 3.36Å; P403-Y476 HydrophobicContact CB-CE1 4.27Å; P403-Y476 HydrophobicContact CG-CD1 4.03Å; P403-Y476 HydrophobicContact CG-CE1 3.57Å; S474-Y476 PolarHBondContact O-N 2.8Å; S474-Y476 VanDerWaalsContact O-N 3.12Å; S474-Y476 WeakPolarHBondContact OG-CB 3.37Å; S474-Y476 PolarHBondContact OG-N 2.98Å
477	S	96.2	Very high	86.2	Confident	13 Å²	13	57.3 Å²	57.3	9%	0.091	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	125.2	-178.1	-171.6	0	0	0	0	111.4	L365 R398 L399 D471 W472 S474	L365-S477 WeakPolarHBondContact CD1-OG 3.37Å; R398-S477 WeakPolarHBondContact CB-OG 3.34Å; R398-S477 WeakPolarHBondContact CD-OG 3.35Å; L399-S477 WeakPolarHBondContact O-CA 3.45Å; D471-S477 WeakPolarHBondContact O-CB 3.29Å; W472-S477 VanDerWaalsContact O-CB 3.31Å; W472-S477 WeakPolarHBondContact O-CB 3.39Å; W472-S477 PolarHBondContact O-OG 3.31Å; S474-S477 PolarHBondContact O-N 3.26Å
478	A	94.8	Very high	84.6	Confident	45 Å²	45	65.1 Å²	65.1	37%	0.372	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.5	-179.9	0	0	0	0	0	111.7	R398 L399	R398-A478 CarbonylContact C-O 3.45Å; R398-A478 VanDerWaalsContact CA-O 3.24Å; R398-A478 WeakPolarHBondContact CA-O 3.26Å; R398-A478 WeakPolarHBondContact CB-O 3.43Å; L399-A478 PolarHBondContact N-O 3.09Å; L399-A478 PolarHBondContact O-N 2.69Å
479	P	93.5	Very high	82.9	Confident	65 Å²	65	67.6 Å²	67.6	42%	0.422	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	139.8	175.2	27.9	-34.1	0	0	0	112	R398 R481	R398-P479 HydrophobicContact CG-CB 4.48Å; P479-R481 PolarHBondContact O-N 3.04Å
480	I	88.7	Confident	81.5	Confident	23 Å²	23	68.8 Å²	68.8	12%	0.118	38%	0.379	C	S	.	.			trans	-67.9	125.4	171.1	-160.4	167.8	0	0	0	109.1	L377 L380 K381 A384 V397	L377-I480 HydrophobicContact CD1-CD1 3.58Å; L377-I480 HydrophobicContact CD1-CG1 4.15Å; L380-I480 HydrophobicContact CB-CD1 3.57Å; K381-I480 HydrophobicContact CG-CD1 3.67Å; K381-I480 HydrophobicContact CG-CG1 4.03Å; A384-I480 HydrophobicContact CB-CG2 3.63Å; V397-I480 HydrophobicContact CB-CG2 3.93Å; V397-I480 HydrophobicContact CG1-CG2 4.34Å; V397-I480 PolarHBondContact O-N 3.43Å; V397-I480 VanDerWaalsContact O-N 3.14Å
481	R	78.5	Confident	80.7	Confident	182 Å²	182	71.2 Å²	71.2	69%	0.687	40%	0.395	S	S	*	.			trans	-104.2	144	-179.8	-63	-176.9	-177.9	-179.1	0.7	111	P479 G483 A484	P479-R481 PolarHBondContact O-N 3.04Å; R481-G483 PolarHBondContact O-N 2.78Å; R481-A484 HydrophobicContact CB-CB 4.35Å; R481-A484 WeakPolarHBondContact O-CB 3.46Å; R481-A484 PolarHBondContact O-N 3.33Å; R481-A484 VanDerWaalsContact O-N 3.15Å
482	H	65.2	Low	79.7	Confident	152 Å²	152	74.9 Å²	74.9	70%	0.704	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	124.2	167.7	-72.8	-73	0	0	0	109.1
483	G	62	Low	78.7	Confident	77 Å²	77	78.9 Å²	78.9	79%	0.794	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.3	-7.6	-175.4	0	0	0	0	0	116.2	R481 D485	R481-G483 PolarHBondContact O-N 2.78Å; G483-D485 PolarHBondContact O-N 2.89Å
484	A	60.5	Low	77.6	Confident	22 Å²	22	76.2 Å²	76.2	18%	0.182	43%	0.429	C	S	.	.			trans	-68.1	128.5	177.4	0	0	0	0	0	111.6	L377 K381 R481 V489	L377-A484 WeakPolarHBondContact CD2-O 3.42Å; K381-A484 WeakPolarHBondContact CE-O 3.1Å; K381-A484 PolarHBondContact NZ-O 3.15Å; R481-A484 HydrophobicContact CB-CB 4.35Å; R481-A484 WeakPolarHBondContact O-CB 3.46Å; R481-A484 PolarHBondContact O-N 3.33Å; R481-A484 VanDerWaalsContact O-N 3.15Å; A484-V489 HydrophobicContact CB-CG2 3.74Å
485	D	65.6	Low	76.3	Confident	76 Å²	76	79.8 Å²	79.8	41%	0.406	45%	0.448	S	S	.	.			trans	-86	139.5	163.9	-170.7	-24.4	0	0	0	108	G483 K487 H488 V489	G483-D485 PolarHBondContact O-N 2.89Å; D485-K487 PolarHBondContact O-N 3.26Å; D485-K487 PolarHBondContact OD1-N 3.01Å; D485-H488 PolarHBondContact O-N 3.46Å; D485-V489 WeakPolarHBondContact O-CG2 3.44Å; D485-V489 PolarHBondContact O-N 3.31Å
486	L	65.3	Low	75	Confident	17 Å²	17	78.2 Å²	78.2	9%	0.089	42%	0.421	C	S	.	.	H	α-helix	trans	-50.4	-46.1	173.4	-88.8	166.3	0	0	0	109.9	L377 L399 H488 V489 C490	L377-L486 HydrophobicContact CB-CD1 3.71Å; L377-L486 HydrophobicContact CB-CG 3.86Å; L377-L486 HydrophobicContact CD1-CD2 4Å; L377-L486 HydrophobicContact CD1-CG 3.91Å; L377-L486 HydrophobicContact CD2-CB 4.48Å; L377-L486 HydrophobicContact CD2-CD1 4.42Å; L377-L486 HydrophobicContact CD2-CG 3.87Å; L377-L486 HydrophobicContact CG-CD1 4.45Å; L377-L486 HydrophobicContact CG-CG 4.07Å; L399-L486 HydrophobicContact CD1-CD2 4.49Å; L486-H488 PolarHBondContact O-N 3.28Å; L486-V489 WeakPolarHBondContact O-CA 3.48Å; L486-V489 PolarHBondContact O-N 3.42Å; L486-C490 VanDerWaalsContact C-OXT 3.26Å; L486-C490 CarbonylContact O-C 3.51Å; L486-C490 PolarHBondContact O-N 3.32Å
487	K	62.4	Low	73.5	Confident	173 Å²	173	80.4 Å²	80.4	75%	0.752	44%	0.438	S	S	*	.	H	α-helix	trans	-55.4	-19.3	-179.5	-65.7	-177.2	177.7	-178.7	0	115.2	D485	D485-K487 PolarHBondContact O-N 3.26Å; D485-K487 PolarHBondContact OD1-N 3.01Å
488	H	64	Low	71.7	Confident	165 Å²	165	85.6 Å²	85.6	76%	0.764	46%	0.464	S	S	*	.	H	α-helix	trans	-105.2	-5.1	178.8	-62.4	-45.8	0	0	0	113.1	D485 L486	D485-H488 PolarHBondContact O-N 3.46Å; L486-H488 PolarHBondContact O-N 3.28Å
489	V	64.1	Low	69.8	Low	52 Å²	52	89 Å²	89	32%	0.315	47%	0.472	S	S	.	.	H	α-helix	trans	-107.9	-39.6	178.5	-177.6	0	0	0	0	111.3	L399 A484 D485 L486	L399-V489 HydrophobicContact CB-CG1 4.45Å; L399-V489 HydrophobicContact CD1-CB 4.41Å; L399-V489 HydrophobicContact CD1-CG1 3.59Å; A484-V489 HydrophobicContact CB-CG2 3.74Å; D485-V489 WeakPolarHBondContact O-CG2 3.44Å; D485-V489 PolarHBondContact O-N 3.31Å; L486-V489 WeakPolarHBondContact O-CA 3.48Å; L486-V489 PolarHBondContact O-N 3.42Å
490	C	68	Low	67.7	Low	64 Å²	64	91.2 Å²	91.2	43%	0.432	48%	0.477	S	S	.	.			trans	-155.5	0	167.2	72.2	0	0	0	0	109.6	C368 W369 T401 L486	C368-C490 WeakPolarHBondContact CA-SG 3.48Å; C368-C490 HydrophobicContact CB-CB 3.73Å; C368-C490 WeakPolarHBondContact CB-SG 3.49Å; C368-C490 WeakPolarHBondContact SG-CB 3.46Å; C368-C490 CovalentContact SG-SG 2.02Å; C368-C490 PolarHBondContact SG-SG 3.33Å; W369-C490 PolarHBondContact N-SG 3.31Å; T401-C490 HydrophobicContact CG2-CB 4.44Å; L486-C490 VanDerWaalsContact C-OXT 3.26Å; L486-C490 CarbonylContact O-C 3.51Å; L486-C490 PolarHBondContact O-N 3.32Å

Retrieved 490 of 490 residues in 1978.5 ms (Link to these results)

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