A0A060VU16_ONCMY Loading...

Beta-galactosidase

AlphaFold DB , UniProt , Accession A0A060VU16, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 634 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	50.6	Low	49.4	Very low	203 Å²	203	138.7 Å²	138.7	100%	1	67%	0.667	S	S	*	*				0	-8.8	0	-143	170.1	72.2	0	0	114.9
2	V	48.3	Very low	50.3	Low	108 Å²	108	143.5 Å²	143.5	66%	0.655	67%	0.673	S	S	*	*			trans	-85.2	-33.1	-176.4	179.1	0	0	0	0	113.5	L4 R5 I6	V2-L4 VanDerWaalsContact C-N 3.34Å; V2-L4 PolarHBondContact O-N 2.86Å; V2-R5 PolarHBondContact O-N 2.95Å; V2-I6 HydrophobicContact CG1-CD1 4.3Å; V2-I6 PolarHBondContact O-N 3.07Å
3	V	44.6	Very low	51.2	Low	112 Å²	112	146.5 Å²	146.5	68%	0.679	68%	0.675	S	S	*	*	H	α-helix	trans	-67	-30.7	-178.3	-178.5	0	0	0	0	113.2	R7	V3-R7 PolarHBondContact O-N 3.09Å
4	L	43.8	Very low	52.3	Low	141 Å²	141	147.5 Å²	147.5	74%	0.738	67%	0.671	S	S	*	*	H	α-helix	trans	-72.9	-29.4	176.2	-91	147.8	0	0	0	113	V2 K8	V2-L4 VanDerWaalsContact C-N 3.34Å; V2-L4 PolarHBondContact O-N 2.86Å; L4-K8 PolarHBondContact O-N 2.66Å
5	R	45.7	Very low	53.4	Low	200 Å²	200	141 Å²	141	76%	0.755	65%	0.654	S	S	*	*	H	α-helix	trans	-72.6	-36.8	176.3	-89.3	-175.4	173.4	-173.9	-1.2	112.1	V2 K8 A9	V2-R5 PolarHBondContact O-N 2.95Å; R5-K8 PolarHBondContact O-N 3.12Å; R5-A9 PolarHBondContact O-N 3.47Å
6	I	48.3	Very low	54.4	Low	92 Å²	92	139.6 Å²	139.6	47%	0.472	65%	0.652	S	S	.	*	H	α-helix	trans	-68.9	-43	179.2	-63.3	171.8	0	0	0	111.1	V2 K8 A9 H10	V2-I6 HydrophobicContact CG1-CD1 4.3Å; V2-I6 PolarHBondContact O-N 3.07Å; I6-K8 VanDerWaalsContact C-N 3.29Å; I6-K8 PolarHBondContact O-N 2.83Å; I6-A9 PolarHBondContact O-N 2.54Å; I6-H10 PolarHBondContact O-CD2 2.92Å; I6-H10 VanDerWaalsContact O-CD2 3.29Å; I6-H10 PolarHBondContact O-N 3.42Å; I6-H10 VanDerWaalsContact O-N 3.1Å
7	R	49.4	Very low	55.6	Low	190 Å²	190	137.2 Å²	137.2	72%	0.717	64%	0.644	S	S	*	*	H	α-helix	trans	-61.6	-33.2	175.3	-86.6	-177	168.6	-179.1	-2.7	113.5	V3 K11	V3-R7 PolarHBondContact O-N 3.09Å; R7-K11 PolarHBondContact O-N 3.31Å
8	K	51.1	Low	56.5	Low	168 Å²	168	133.6 Å²	133.6	73%	0.73	64%	0.636	S	S	*	*	H	α-helix	trans	-74.8	-33.6	178.4	-136.9	174.3	-174.7	179.7	0	112.1	L4 R5 I6 R12	L4-K8 PolarHBondContact O-N 2.66Å; R5-K8 PolarHBondContact O-N 3.12Å; I6-K8 VanDerWaalsContact C-N 3.29Å; I6-K8 PolarHBondContact O-N 2.83Å; K8-R12 PolarHBondContact O-N 3.3Å; K8-R12 VanDerWaalsContact O-N 3.16Å
9	A	53.6	Low	57.5	Low	54 Å²	54	133 Å²	133	45%	0.446	64%	0.636	S	S	.	*	H	α-helix	trans	-69.6	-41.4	175.1	0	0	0	0	0	112.5	R5 I6 R12 R13	R5-A9 PolarHBondContact O-N 3.47Å; I6-A9 PolarHBondContact O-N 2.54Å; A9-R12 PolarHBondContact O-N 2.67Å; A9-R13 PolarHBondContact O-N 2.87Å
10	H	52	Low	58.2	Low	96 Å²	96	129.7 Å²	129.7	44%	0.444	63%	0.627	S	S	.	*	H	α-helix	trans	-65.9	-43	175	-79.2	-75.7	0	0	0	112.3	I6 R12 R13 Y14	I6-H10 PolarHBondContact O-CD2 2.92Å; I6-H10 VanDerWaalsContact O-CD2 3.29Å; I6-H10 PolarHBondContact O-N 3.42Å; I6-H10 VanDerWaalsContact O-N 3.1Å; H10-R12 VanDerWaalsContact C-N 3.3Å; H10-R12 PolarHBondContact O-N 3.38Å; H10-R13 PolarHBondContact O-N 3.33Å; H10-R13 VanDerWaalsContact O-N 3.14Å; H10-Y14 VanDerWaalsContact O-CD2 3.24Å; H10-Y14 WeakPolarHBondContact O-CD2 3.37Å; H10-Y14 PolarHBondContact O-N 3.47Å
11	K	56.5	Low	59	Low	162 Å²	162	127.6 Å²	127.6	70%	0.704	62%	0.618	S	S	*	*	H	α-helix	trans	-59.8	-38.1	174.2	-78.9	-171.1	176.3	-170.3	0	112.8	R7 A15	R7-K11 PolarHBondContact O-N 3.31Å; K11-A15 VanDerWaalsContact O-CB 3.27Å; K11-A15 WeakPolarHBondContact O-CB 3.33Å; K11-A15 PolarHBondContact O-N 2.81Å
12	R	59.3	Low	60.3	Low	196 Å²	196	121.7 Å²	121.7	74%	0.74	59%	0.593	S	S	*	*	H	α-helix	trans	-65.4	-41.1	173.6	-98.1	-176.7	173.3	-177.7	-2.9	112.5	K8 A9 H10 A15 L16	K8-R12 PolarHBondContact O-N 3.3Å; K8-R12 VanDerWaalsContact O-N 3.16Å; A9-R12 PolarHBondContact O-N 2.67Å; H10-R12 VanDerWaalsContact C-N 3.3Å; H10-R12 PolarHBondContact O-N 3.38Å; R12-A15 PolarHBondContact O-N 2.9Å; R12-L16 WeakPolarHBondContact O-CB 3.36Å; R12-L16 WeakPolarHBondContact O-CD1 3.4Å; R12-L16 WeakPolarHBondContact O-CG 3.26Å; R12-L16 PolarHBondContact O-N 3.02Å
13	R	63	Low	61.3	Low	183 Å²	183	118.3 Å²	118.3	69%	0.691	58%	0.58	S	S	*	*	H	α-helix	trans	-65.4	-43.4	176.3	-78.8	-176.7	174.5	179.3	-2	112.3	A9 H10 L16 L17	A9-R13 PolarHBondContact O-N 2.87Å; H10-R13 PolarHBondContact O-N 3.33Å; H10-R13 VanDerWaalsContact O-N 3.14Å; R13-L16 PolarHBondContact O-N 3.34Å; R13-L17 WeakPolarHBondContact O-CB 3.33Å; R13-L17 PolarHBondContact O-N 2.71Å
14	Y	66.4	Low	62.4	Low	160 Å²	160	118.6 Å²	118.6	63%	0.627	57%	0.573	S	S	*	*	H	α-helix	trans	-66.2	-39.3	174.9	-81.1	-74.6	0	0	0	112.3	H10 L17 C18	H10-Y14 VanDerWaalsContact O-CD2 3.24Å; H10-Y14 WeakPolarHBondContact O-CD2 3.37Å; H10-Y14 PolarHBondContact O-N 3.47Å; Y14-L17 PolarHBondContact O-N 2.8Å; Y14-C18 WeakPolarHBondContact O-CB 3.37Å; Y14-C18 PolarHBondContact O-N 2.75Å; Y14-C18 PolarHBondContact O-SG 3.21Å
15	A	68.8	Low	63.5	Low	50 Å²	50	116.1 Å²	116.1	41%	0.413	56%	0.56	S	S	.	*	H	α-helix	trans	-64.6	-40.5	175.2	0	0	0	0	0	112.3	K11 R12 C18 L19	K11-A15 VanDerWaalsContact O-CB 3.27Å; K11-A15 WeakPolarHBondContact O-CB 3.33Å; K11-A15 PolarHBondContact O-N 2.81Å; R12-A15 PolarHBondContact O-N 2.9Å; A15-C18 PolarHBondContact O-N 2.99Å; A15-L19 WeakPolarHBondContact O-CB 3.33Å; A15-L19 WeakPolarHBondContact O-CD1 3.22Å; A15-L19 VanDerWaalsContact O-CG 3.3Å; A15-L19 WeakPolarHBondContact O-CG 3.32Å; A15-L19 PolarHBondContact O-N 3.07Å
16	L	69.8	Low	64.1	Low	118 Å²	118	112 Å²	112	62%	0.618	55%	0.55	S	S	*	*	H	α-helix	trans	-65.6	-38.7	174.1	-83.8	158	0	0	0	112.1	R12 R13 L19 S20	R12-L16 WeakPolarHBondContact O-CB 3.36Å; R12-L16 WeakPolarHBondContact O-CD1 3.4Å; R12-L16 WeakPolarHBondContact O-CG 3.26Å; R12-L16 PolarHBondContact O-N 3.02Å; R13-L16 PolarHBondContact O-N 3.34Å; L16-L19 PolarHBondContact O-N 3.44Å; L16-S20 WeakPolarHBondContact O-CB 3.48Å; L16-S20 PolarHBondContact O-N 2.93Å; L16-S20 PolarHBondContact O-OG 3.18Å; L16-S20 VanDerWaalsContact O-OG 3.1Å
17	L	74.6	Confident	64.6	Low	99 Å²	99	115.8 Å²	115.8	52%	0.518	56%	0.56	S	S	.	*	H	α-helix	trans	-67.5	-40.8	175.8	-151.2	95.1	0	0	0	111.7	R13 Y14 S20 I21	R13-L17 WeakPolarHBondContact O-CB 3.33Å; R13-L17 PolarHBondContact O-N 2.71Å; Y14-L17 PolarHBondContact O-N 2.8Å; L17-S20 WeakPolarHBondContact CA-OG 3.26Å; L17-S20 PolarHBondContact O-N 2.95Å; L17-S20 PolarHBondContact O-OG 3.32Å; L17-I21 HydrophobicContact CD2-CD1 4.14Å; L17-I21 HydrophobicContact CG-CD1 4.32Å; L17-I21 WeakPolarHBondContact O-CB 3.29Å; L17-I21 WeakPolarHBondContact O-CD1 3.32Å; L17-I21 WeakPolarHBondContact O-CG1 3.31Å; L17-I21 PolarHBondContact O-N 2.9Å
18	C	71.8	Confident	64.9	Low	73 Å²	73	115.8 Å²	115.8	49%	0.493	56%	0.56	S	S	.	*	H	α-helix	trans	-66.8	-39.5	174.2	-70.7	0	0	0	0	111.3	Y14 A15 I21 V22	Y14-C18 WeakPolarHBondContact O-CB 3.37Å; Y14-C18 PolarHBondContact O-N 2.75Å; Y14-C18 PolarHBondContact O-SG 3.21Å; A15-C18 PolarHBondContact O-N 2.99Å; C18-I21 PolarHBondContact O-N 3.03Å; C18-V22 VanDerWaalsContact O-CB 3.31Å; C18-V22 WeakPolarHBondContact O-CB 3.4Å; C18-V22 WeakPolarHBondContact O-CG2 3.01Å; C18-V22 PolarHBondContact O-N 3.33Å
19	L	74.4	Confident	64.8	Low	122 Å²	122	117.6 Å²	117.6	64%	0.639	56%	0.563	S	S	*	*	H	α-helix	trans	-68	-34.6	175.6	-78.8	164.4	0	0	0	112.4	A15 L16 G23	A15-L19 WeakPolarHBondContact O-CB 3.33Å; A15-L19 WeakPolarHBondContact O-CD1 3.22Å; A15-L19 VanDerWaalsContact O-CG 3.3Å; A15-L19 WeakPolarHBondContact O-CG 3.32Å; A15-L19 PolarHBondContact O-N 3.07Å; L16-L19 PolarHBondContact O-N 3.44Å; L19-G23 WeakPolarHBondContact O-CA 3.49Å; L19-G23 PolarHBondContact O-N 3.24Å
20	S	71.5	Confident	64.1	Low	67 Å²	67	120.9 Å²	120.9	47%	0.469	57%	0.573	S	S	.	*	H	α-helix	trans	-74.3	-35.3	174.4	59.1	0	0	0	0	112.3	L16 L17 G23 F24	L16-S20 WeakPolarHBondContact O-CB 3.48Å; L16-S20 PolarHBondContact O-N 2.93Å; L16-S20 PolarHBondContact O-OG 3.18Å; L16-S20 VanDerWaalsContact O-OG 3.1Å; L17-S20 WeakPolarHBondContact CA-OG 3.26Å; L17-S20 PolarHBondContact O-N 2.95Å; L17-S20 PolarHBondContact O-OG 3.32Å; S20-G23 PolarHBondContact O-N 2.86Å; S20-F24 WeakPolarHBondContact O-CB 3.36Å; S20-F24 PolarHBondContact O-N 2.68Å
21	I	76.2	Confident	63.3	Low	85 Å²	85	118 Å²	118	44%	0.436	57%	0.569	S	S	.	*	H	α-helix	trans	-67	-46.4	172.1	-69.6	164.5	0	0	0	110.5	L17 C18 G23 F24 I25	L17-I21 HydrophobicContact CD2-CD1 4.14Å; L17-I21 HydrophobicContact CG-CD1 4.32Å; L17-I21 WeakPolarHBondContact O-CB 3.29Å; L17-I21 WeakPolarHBondContact O-CD1 3.32Å; L17-I21 WeakPolarHBondContact O-CG1 3.31Å; L17-I21 PolarHBondContact O-N 2.9Å; C18-I21 PolarHBondContact O-N 3.03Å; I21-G23 VanDerWaalsContact C-N 3.32Å; I21-G23 PolarHBondContact O-N 2.87Å; I21-F24 PolarHBondContact O-N 2.8Å; I21-I25 HydrophobicContact CG2-CD1 3.7Å; I21-I25 HydrophobicContact CG2-CG1 4.39Å; I21-I25 WeakPolarHBondContact O-CB 3.37Å; I21-I25 WeakPolarHBondContact O-CG1 3.44Å; I21-I25 PolarHBondContact O-N 3.01Å
22	V	76.8	Confident	62.3	Low	79 Å²	79	116.3 Å²	116.3	48%	0.479	57%	0.572	S	S	.	*	H	α-helix	trans	-65	-38.8	175.4	171.9	0	0	0	0	110.6	C18 I25 M26	C18-V22 VanDerWaalsContact O-CB 3.31Å; C18-V22 WeakPolarHBondContact O-CB 3.4Å; C18-V22 WeakPolarHBondContact O-CG2 3.01Å; C18-V22 PolarHBondContact O-N 3.33Å; V22-I25 PolarHBondContact O-N 2.78Å; V22-M26 VanDerWaalsContact O-CB 3.27Å; V22-M26 WeakPolarHBondContact O-CB 3.22Å; V22-M26 PolarHBondContact O-N 3.42Å
23	G	70.7	Confident	61.3	Low	37 Å²	37	110.8 Å²	110.8	38%	0.381	57%	0.568	S	S	.	*	H	α-helix	trans	-65.1	-36.3	173.8	0	0	0	0	0	112.8	L19 S20 I21 Y27	L19-G23 WeakPolarHBondContact O-CA 3.49Å; L19-G23 PolarHBondContact O-N 3.24Å; S20-G23 PolarHBondContact O-N 2.86Å; I21-G23 VanDerWaalsContact C-N 3.32Å; I21-G23 PolarHBondContact O-N 2.87Å; G23-Y27 WeakPolarHBondContact O-CB 3.37Å; G23-Y27 PolarHBondContact O-N 2.82Å
24	F	67.4	Low	60	Low	118 Å²	118	107.8 Å²	107.8	52%	0.518	57%	0.573	S	S	.	*	H	α-helix	trans	-74.1	-38	174.9	-173.5	-97	0	0	0	112.1	S20 I21 Y27 R28	S20-F24 WeakPolarHBondContact O-CB 3.36Å; S20-F24 PolarHBondContact O-N 2.68Å; I21-F24 PolarHBondContact O-N 2.8Å; F24-Y27 PolarHBondContact O-N 2.79Å; F24-R28 HydrophobicContact CE1-CG 4.24Å; F24-R28 WeakPolarHBondContact O-CB 3.47Å; F24-R28 WeakPolarHBondContact O-CG 3.26Å; F24-R28 PolarHBondContact O-N 3.41Å
25	I	66.4	Low	58.6	Low	90 Å²	90	104 Å²	104	46%	0.462	58%	0.583	S	S	.	*	H	α-helix	trans	-66.8	-44.7	173.1	-68.5	167.7	0	0	0	109.9	I21 V22 R28 Y29	I21-I25 HydrophobicContact CG2-CD1 3.7Å; I21-I25 HydrophobicContact CG2-CG1 4.39Å; I21-I25 WeakPolarHBondContact O-CB 3.37Å; I21-I25 WeakPolarHBondContact O-CG1 3.44Å; I21-I25 PolarHBondContact O-N 3.01Å; V22-I25 PolarHBondContact O-N 2.78Å; I25-R28 CarbonylContact O-C 3.58Å; I25-R28 PolarHBondContact O-N 2.94Å; I25-Y29 HydrophobicContact CG2-CD2 4.16Å; I25-Y29 WeakPolarHBondContact O-CB 3.31Å; I25-Y29 PolarHBondContact O-N 3.25Å
26	M	57.2	Low	57	Low	113 Å²	113	104.7 Å²	104.7	56%	0.557	59%	0.594	S	S	*	*	H	α-helix	trans	-63.6	-40.2	172.1	-94.6	-162.2	179	0	0	111.4	V22 R28 Y29 L30	V22-M26 VanDerWaalsContact O-CB 3.27Å; V22-M26 WeakPolarHBondContact O-CB 3.22Å; V22-M26 PolarHBondContact O-N 3.42Å; M26-R28 VanDerWaalsContact C-N 3.28Å; M26-R28 PolarHBondContact O-N 3.4Å; M26-Y29 CarbonylContact O-C 3.54Å; M26-Y29 PolarHBondContact O-N 3.12Å; M26-L30 HydrophobicContact CB-CD1 4.08Å; M26-L30 HydrophobicContact CG-CD1 4.02Å; M26-L30 WeakPolarHBondContact O-CA 3.41Å; M26-L30 WeakPolarHBondContact O-CB 3.3Å; M26-L30 PolarHBondContact O-N 2.75Å; M26-L30 HydrophobicContact SD-CD1 4.02Å
27	Y	60.6	Low	55.6	Low	171 Å²	171	109.8 Å²	109.8	67%	0.671	61%	0.606	S	S	*	*	H	α-helix	trans	-67.3	-27.7	174.4	179.2	-98.4	0	0	0	112.4	G23 F24 G31	G23-Y27 WeakPolarHBondContact O-CB 3.37Å; G23-Y27 PolarHBondContact O-N 2.82Å; F24-Y27 PolarHBondContact O-N 2.79Å; Y27-G31 WeakPolarHBondContact O-CA 3.42Å; Y27-G31 PolarHBondContact O-N 3.44Å
28	R	55.8	Low	54.2	Low	191 Å²	191	116.5 Å²	116.5	72%	0.721	62%	0.624	S	S	*	*	H	α-helix	trans	-78.4	-29	169.8	-78.8	-157.2	166.8	-163.7	-3.1	113.6	F24 I25 M26	F24-R28 HydrophobicContact CE1-CG 4.24Å; F24-R28 WeakPolarHBondContact O-CB 3.47Å; F24-R28 WeakPolarHBondContact O-CG 3.26Å; F24-R28 PolarHBondContact O-N 3.41Å; I25-R28 CarbonylContact O-C 3.58Å; I25-R28 PolarHBondContact O-N 2.94Å; M26-R28 VanDerWaalsContact C-N 3.28Å; M26-R28 PolarHBondContact O-N 3.4Å
29	Y	47.2	Very low	53.5	Low	205 Å²	205	115.8 Å²	115.8	80%	0.804	61%	0.614	S	S	*	*	H	α-helix	trans	-86.1	-32.2	177.9	-105	-87	0	0	0	113.8	I25 M26	I25-Y29 HydrophobicContact CG2-CD2 4.16Å; I25-Y29 WeakPolarHBondContact O-CB 3.31Å; I25-Y29 PolarHBondContact O-N 3.25Å; M26-Y29 CarbonylContact O-C 3.54Å; M26-Y29 PolarHBondContact O-N 3.12Å
30	L	40	Very low	52.5	Low	124 Å²	124	113 Å²	113	65%	0.649	61%	0.605	S	S	*	*	H	α-helix	trans	-109.9	-5.4	-178.5	-64.7	159.4	0	0	0	112	M26 T32	M26-L30 HydrophobicContact CB-CD1 4.08Å; M26-L30 HydrophobicContact CG-CD1 4.02Å; M26-L30 WeakPolarHBondContact O-CA 3.41Å; M26-L30 WeakPolarHBondContact O-CB 3.3Å; M26-L30 PolarHBondContact O-N 2.75Å; M26-L30 HydrophobicContact SD-CD1 4.02Å; L30-T32 VanDerWaalsContact C-N 3.3Å; L30-T32 PolarHBondContact O-N 3.09Å
31	G	35.2	Very low	52.4	Low	34 Å²	34	117 Å²	117	35%	0.351	61%	0.609	S	S	.	*	S	Bend	trans	-58	100.8	166.6	0	0	0	0	0	107.2	Y27 A33	Y27-G31 WeakPolarHBondContact O-CA 3.42Å; Y27-G31 PolarHBondContact O-N 3.44Å; G31-A33 PolarHBondContact O-N 3.19Å
32	T	36	Very low	52.1	Low	127 Å²	127	123.3 Å²	123.3	78%	0.779	63%	0.628	S	S	*	*			trans	-42.4	110.1	179.2	48.2	0	0	0	0	109.1	L30	L30-T32 VanDerWaalsContact C-N 3.3Å; L30-T32 PolarHBondContact O-N 3.09Å
33	A	36.9	Very low	52.7	Low	80 Å²	80	123 Å²	123	66%	0.661	63%	0.626	S	S	*	*			trans	-45.6	127.5	151.5	0	0	0	0	0	105.8	G31 G35	G31-A33 PolarHBondContact O-N 3.19Å; A33-G35 PolarHBondContact O-N 2.89Å
34	P	36.4	Very low	53.7	Low	121 Å²	121	121.8 Å²	121.8	79%	0.786	61%	0.614	S	S	*	*			trans	-52.1	124.4	171.1	11.9	-12.6	0	0	0	105.1	G36	P34-G36 PolarHBondContact O-N 2.89Å
35	G	36	Very low	55.1	Low	81 Å²	81	116.8 Å²	116.8	84%	0.835	59%	0.592	S	S	*	*			trans	-46.5	89	-168	0	0	0	0	0	111.1	A33 R37	A33-G35 PolarHBondContact O-N 2.89Å; G35-R37 PolarHBondContact O-N 3.16Å
36	G	35	Very low	56.5	Low	64 Å²	64	113.8 Å²	113.8	66%	0.66	58%	0.579	S	S	*	*			trans	-68.4	112.1	179	0	0	0	0	0	104	P34 R38	P34-G36 PolarHBondContact O-N 2.89Å; G36-R38 VanDerWaalsContact C-N 3.34Å; G36-R38 PolarHBondContact O-N 3Å
37	R	41.4	Very low	58.3	Low	225 Å²	225	109.2 Å²	109.2	85%	0.849	56%	0.559	S	S	*	*			trans	-45.5	107	170.9	-148.5	176.9	-171.6	176.3	-0.1	105.6	G35 M39	G35-R37 PolarHBondContact O-N 3.16Å; R37-M39 PolarHBondContact O-N 3.06Å
38	R	45.9	Very low	59.7	Low	239 Å²	239	107.3 Å²	107.3	90%	0.902	56%	0.561	S	S	*	*			trans	-56.4	108.5	-179.8	-160	-179.5	-170.1	-175.1	2.7	104	G36 S40	G36-R38 VanDerWaalsContact C-N 3.34Å; G36-R38 PolarHBondContact O-N 3Å; R38-S40 PolarHBondContact O-N 3.34Å
39	M	55.9	Low	61.3	Low	59 Å²	59	100.1 Å²	100.1	29%	0.291	54%	0.54	S	S	.	.			trans	-53.7	121	-171	-57.5	-175.9	-58.2	0	0	106.2	R37 R41 W128	R37-M39 PolarHBondContact O-N 3.06Å; M39-R41 VanDerWaalsContact O-CG 3.26Å; M39-R41 WeakPolarHBondContact O-CG 3.49Å; M39-W128 HydrophobicContact CB-CH2 3.76Å; M39-W128 HydrophobicContact CB-CZ2 4.23Å; M39-W128 HydrophobicContact CE-CE3 4.3Å; M39-W128 HydrophobicContact CE-CH2 3.57Å; M39-W128 HydrophobicContact CE-CZ2 4.4Å; M39-W128 HydrophobicContact CE-CZ3 3.5Å; M39-W128 VanDerWaalsContact CE-CZ3 3.5Å; M39-W128 HydrophobicContact CG-CH2 3.92Å; M39-W128 HydrophobicContact CG-CZ2 4.11Å; M39-W128 HydrophobicContact SD-CD2 4.42Å; M39-W128 HydrophobicContact SD-CE3 4.19Å; M39-W128 HydrophobicContact SD-CH2 3.12Å; M39-W128 WeakPolarHBondContact SD-CH2 3.43Å; M39-W128 HydrophobicContact SD-CZ2 3.37Å; M39-W128 WeakPolarHBondContact SD-CZ2 3.37Å; M39-W128 HydrophobicContact SD-CZ3 3.57Å; M39-W128 VanDerWaalsContact SD-CZ3 3.57Å
40	S	54.2	Low	63.4	Low	63 Å²	63	94.2 Å²	94.2	44%	0.441	53%	0.529	S	S	.	.			trans	-58.4	146.7	174.2	179.1	0	0	0	0	107.3	R38 E55	R38-S40 PolarHBondContact O-N 3.34Å; S40-E55 WeakPolarHBondContact CA-OE2 3.39Å; S40-E55 WeakPolarHBondContact CB-OE2 3.33Å; S40-E55 WeakPolarHBondContact O-CG 3.48Å; S40-E55 PolarHBondContact OG-OE2 3.2Å
41	R	68.2	Low	65.9	Low	150 Å²	150	90.5 Å²	90.5	57%	0.566	51%	0.508	S	S	*	.			trans	-133.5	49.8	-170.7	-56.7	-175.6	179	177.2	-8.2	112.6	M39 E55 G188	M39-R41 VanDerWaalsContact O-CG 3.26Å; M39-R41 WeakPolarHBondContact O-CG 3.49Å; R41-E55 VanDerWaalsContact C-OE1 3.31Å; R41-E55 WeakPolarHBondContact CA-OE1 3.23Å; R41-E55 PolarHBondContact N-OE2 2.84Å; R41-E55 VanDerWaalsContact N-OE2 3.07Å; R41-G188 PolarHBondContact NH1-O 2.87Å; R41-G188 PolarHBondContact NH2-O 3.35Å
42	R	71.7	Confident	68.9	Low	218 Å²	218	89 Å²	89	82%	0.823	49%	0.492	S	S	*	.	S	Bend	trans	-94.5	-47.8	-179.9	-61.3	-178.4	179.3	-171.9	-0.3	112.3	E55	R42-E55 PolarHBondContact N-OE1 3.3Å; R42-E55 PolarHBondContact N-OE2 2.88Å
43	V	88.3	Confident	71.8	Confident	74 Å²	74	84 Å²	84	45%	0.448	46%	0.461	S	S	.	.	S	Bend	trans	-139.7	117	-169.7	-173.5	0	0	0	0	109.7	E55	V43-E55 PolarHBondContact N-OE1 3.23Å; V43-E55 VanDerWaalsContact O-CA 3.28Å; V43-E55 WeakPolarHBondContact O-CA 3.1Å; V43-E55 PolarHBondContact O-N 2.83Å
44	G	92.7	Very high	74.5	Confident	11 Å²	11	80.8 Å²	80.8	11%	0.113	43%	0.432	C	S	.	.			trans	-66	-178.2	176.7	0	0	0	0	0	113.4	S46 F185	G44-S46 PolarHBondContact O-N 3.28Å; G44-F185 VanDerWaalsContact CA-CD1 3.42Å
45	L	96.5	Very high	77.2	Confident	12 Å²	12	76.7 Å²	76.7	6%	0.063	40%	0.403	C	S	.	.			trans	-61.6	128.2	-179	-171.6	75.1	0	0	0	110.5	F52 T53 L54 F59 I61 I192 A193 L225	L45-F52 HydrophobicContact CD1-CB 3.88Å; L45-F52 HydrophobicContact CD1-CD1 4.16Å; L45-F52 HydrophobicContact CD1-CG 4.26Å; L45-F52 HydrophobicContact CD2-CD1 4.18Å; L45-F52 HydrophobicContact CD2-CE1 4.46Å; L45-F52 HydrophobicContact CG-CD1 4.08Å; L45-T53 CarbonylContact C-O 3.55Å; L45-T53 WeakPolarHBondContact CA-O 3.32Å; L45-L54 HydrophobicContact CB-CD1 4.25Å; L45-L54 HydrophobicContact CD1-CB 4.25Å; L45-F59 HydrophobicContact CD1-CD1 3.76Å; L45-F59 HydrophobicContact CD1-CE1 4.38Å; L45-I61 HydrophobicContact CD1-CD1 4.45Å; L45-I61 HydrophobicContact CD2-CD1 3.97Å; L45-I192 HydrophobicContact CB-CB 4.12Å; L45-I192 WeakPolarHBondContact CB-O 3.21Å; L45-I192 HydrophobicContact CD1-CD1 4.48Å; L45-I192 HydrophobicContact CD2-CD1 4.22Å; L45-I192 HydrophobicContact CD2-CG1 4.42Å; L45-A193 HydrophobicContact CD2-CB 4.12Å; L45-L225 HydrophobicContact CD2-CB 4.44Å; L45-L225 HydrophobicContact CD2-CD2 3.62Å; L45-L225 HydrophobicContact CG-CD2 4.08Å
46	S	94.8	Very high	79.8	Confident	27 Å²	27	75.2 Å²	75.2	19%	0.189	39%	0.388	C	S	.	.	B	Isolated β-bridge	trans	-124.2	147.9	179.3	178.6	0	0	0	0	111.1	G44 N48 F52 T53	G44-S46 PolarHBondContact O-N 3.28Å; S46-N48 PolarHBondContact OG-N 3.46Å; S46-N48 PolarHBondContact OG-OD1 3.28Å; S46-F52 WeakPolarHBondContact O-CA 3.47Å; S46-T53 PolarHBondContact N-O 2.92Å; S46-T53 PolarHBondContact O-N 3.47Å
47	A	94.8	Very high	82.5	Confident	18 Å²	18	79 Å²	79	15%	0.149	39%	0.388	C	S	.	.			trans	-122.1	25.4	-179	0	0	0	0	0	112.2	S49 F52 L225 I244 P268	A47-S49 VanDerWaalsContact C-N 3.26Å; A47-S49 PolarHBondContact O-N 3.48Å; A47-F52 HydrophobicContact CB-CD1 4.14Å; A47-F52 HydrophobicContact CB-CE1 3.96Å; A47-L225 HydrophobicContact CB-CD1 4.06Å; A47-L225 HydrophobicContact CB-CD2 4.26Å; A47-I244 HydrophobicContact CB-CD1 3.7Å; A47-P268 HydrophobicContact CB-CG 3.74Å; A47-P268 WeakPolarHBondContact O-CD 3.28Å
48	N	90	Very high	85	Confident	130 Å²	130	73.3 Å²	73.3	70%	0.695	38%	0.379	S	S	*	.	S	Bend	trans	-85.5	12.5	-178	66.8	-18.8	0	0	0	114.3	S46	S46-N48 PolarHBondContact OG-N 3.46Å; S46-N48 PolarHBondContact OG-OD1 3.28Å
49	S	90.7	Very high	87.4	Confident	41 Å²	41	63.4 Å²	63.4	29%	0.287	34%	0.342	S	S	.	.	S	Bend	trans	-143.5	171.8	178.4	92	0	0	0	0	110.1	A47 Q51 N266 S267 P268	A47-S49 VanDerWaalsContact C-N 3.26Å; A47-S49 PolarHBondContact O-N 3.48Å; S49-Q51 PolarHBondContact O-N 3Å; S49-Q51 PolarHBondContact OG-N 3.41Å; S49-Q51 PolarHBondContact OG-O 3.01Å; S49-N266 CarbonylContact C-O 2.93Å; S49-N266 WeakPolarHBondContact CA-O 3.42Å; S49-N266 VanDerWaalsContact O-O 3.05Å; S49-S267 CarbonylContact O-C 3.5Å; S49-P268 WeakPolarHBondContact O-CD 3.46Å
50	S	90.7	Very high	89.3	Confident	81 Å²	81	63.7 Å²	63.7	57%	0.566	34%	0.34	S	S	*	.	S	Bend	trans	-64.9	-9.1	179.1	59.1	0	0	0	0	114.3	N266	S50-N266 PolarHBondContact N-O 3.39Å
51	Q	93.6	Very high	91.5	Very high	45 Å²	45	60.8 Å²	60.8	21%	0.21	32%	0.319	C	S	.	.	S	Bend	trans	-126.1	155.7	170	-62.1	-69.7	-81.4	0	0	109.5	S49 T58 G305	S49-Q51 PolarHBondContact O-N 3Å; S49-Q51 PolarHBondContact OG-N 3.41Å; S49-Q51 PolarHBondContact OG-O 3.01Å; Q51-T58 HydrophobicContact CB-CG2 3.9Å; Q51-T58 HydrophobicContact CG-CG2 4.21Å; Q51-G305 PolarHBondContact NE2-O 3.24Å; Q51-G305 PolarHBondContact OE1-O 3.33Å
52	F	97.4	Very high	92.9	Very high	4 Å²	4	53.8 Å²	53.8	2%	0.018	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	148.9	168.7	-68.8	-79.5	0	0	0	109.1	L45 S46 A47 F59 I61 L225 I244 P268 M270 S307	L45-F52 HydrophobicContact CD1-CB 3.88Å; L45-F52 HydrophobicContact CD1-CD1 4.16Å; L45-F52 HydrophobicContact CD1-CG 4.26Å; L45-F52 HydrophobicContact CD2-CD1 4.18Å; L45-F52 HydrophobicContact CD2-CE1 4.46Å; L45-F52 HydrophobicContact CG-CD1 4.08Å; S46-F52 WeakPolarHBondContact O-CA 3.47Å; A47-F52 HydrophobicContact CB-CD1 4.14Å; A47-F52 HydrophobicContact CB-CE1 3.96Å; F52-F59 WeakPolarHBondContact CB-O 3.29Å; F52-F59 PolarHBondContact O-N 3.46Å; F52-I61 HydrophobicContact CD2-CD1 4.01Å; F52-I61 HydrophobicContact CE2-CD1 4.08Å; F52-I61 HydrophobicContact CG-CD1 4.29Å; F52-I61 HydrophobicContact CZ-CD1 4.41Å; F52-L225 HydrophobicContact CD1-CD2 4.18Å; F52-L225 HydrophobicContact CE1-CD2 3.7Å; F52-I244 HydrophobicContact CE1-CD1 4.1Å; F52-I244 HydrophobicContact CZ-CD1 4.11Å; F52-P268 HydrophobicContact CD1-CB 4.24Å; F52-P268 HydrophobicContact CD1-CG 3.5Å; F52-P268 VanDerWaalsContact CD1-CG 3.5Å; F52-P268 HydrophobicContact CD2-CB 3.64Å; F52-P268 HydrophobicContact CD2-CG 3.83Å; F52-P268 HydrophobicContact CE1-CB 4.27Å; F52-P268 HydrophobicContact CE1-CG 3.4Å; F52-P268 VanDerWaalsContact CE1-CG 3.4Å; F52-P268 HydrophobicContact CE2-CB 3.68Å; F52-P268 HydrophobicContact CE2-CG 3.74Å; F52-P268 HydrophobicContact CG-CB 3.93Å; F52-P268 HydrophobicContact CG-CG 3.71Å; F52-P268 HydrophobicContact CZ-CB 4Å; F52-P268 HydrophobicContact CZ-CG 3.54Å; F52-M270 HydrophobicContact CE2-CB 4.05Å; F52-M270 HydrophobicContact CE2-SD 4.46Å; F52-M270 HydrophobicContact CZ-CB 4.27Å; F52-M270 HydrophobicContact CZ-SD 4.49Å; F52-S307 WeakPolarHBondContact CD2-OG 3.47Å
53	T	96.3	Very high	94.2	Very high	22 Å²	22	43.4 Å²	43.4	14%	0.135	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	142.1	167.4	58.3	0	0	0	0	109.9	L45 S46 E57	L45-T53 CarbonylContact C-O 3.55Å; L45-T53 WeakPolarHBondContact CA-O 3.32Å; S46-T53 PolarHBondContact N-O 2.92Å; S46-T53 PolarHBondContact O-N 3.47Å; T53-E57 CarbonylContact C-O 3.47Å; T53-E57 WeakPolarHBondContact CA-O 3.4Å; T53-E57 WeakPolarHBondContact CB-O 3.12Å
54	L	95.1	Very high	94.7	Very high	11 Å²	11	39.9 Å²	39.9	6%	0.058	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	130.6	173.7	-178.5	65.3	0	0	0	107.2	L45 G56 E57 F59 W128 F185 I192	L45-L54 HydrophobicContact CB-CD1 4.25Å; L45-L54 HydrophobicContact CD1-CB 4.25Å; L54-G56 PolarHBondContact O-N 3.43Å; L54-E57 PolarHBondContact N-O 3.29Å; L54-E57 PolarHBondContact O-N 3.02Å; L54-E57 VanDerWaalsContact O-N 3.09Å; L54-F59 HydrophobicContact CB-CB 3.66Å; L54-F59 HydrophobicContact CB-CD1 4.01Å; L54-F59 HydrophobicContact CB-CD2 4.23Å; L54-F59 HydrophobicContact CB-CG 3.7Å; L54-F59 HydrophobicContact CD2-CD1 4.18Å; L54-F59 HydrophobicContact CD2-CD2 4.12Å; L54-F59 HydrophobicContact CD2-CE1 4.15Å; L54-F59 HydrophobicContact CD2-CE2 4.12Å; L54-F59 HydrophobicContact CD2-CG 4.17Å; L54-F59 HydrophobicContact CD2-CZ 4.15Å; L54-W128 HydrophobicContact CD2-CD2 4.08Å; L54-W128 VanDerWaalsContact CD2-CE2 3.49Å; L54-W128 HydrophobicContact CD2-CG 4.47Å; L54-W128 HydrophobicContact CD2-CH2 4.38Å; L54-W128 HydrophobicContact CD2-CZ2 3.66Å; L54-F185 HydrophobicContact CD1-CD2 4.33Å; L54-F185 HydrophobicContact CD1-CE2 4Å; L54-F185 HydrophobicContact CD1-CZ 4.25Å; L54-I192 HydrophobicContact CD1-CG2 4.13Å
55	E	91.9	Very high	95	Very high	36 Å²	36	39.3 Å²	39.3	17%	0.168	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	24	-171	-71.2	-66.3	111.6	0	0	114.2	S40 R41 R42 V43 E57 F185	S40-E55 WeakPolarHBondContact CA-OE2 3.39Å; S40-E55 WeakPolarHBondContact CB-OE2 3.33Å; S40-E55 WeakPolarHBondContact O-CG 3.48Å; S40-E55 PolarHBondContact OG-OE2 3.2Å; R41-E55 VanDerWaalsContact C-OE1 3.31Å; R41-E55 WeakPolarHBondContact CA-OE1 3.23Å; R41-E55 PolarHBondContact N-OE2 2.84Å; R41-E55 VanDerWaalsContact N-OE2 3.07Å; R42-E55 PolarHBondContact N-OE1 3.3Å; R42-E55 PolarHBondContact N-OE2 2.88Å; V43-E55 PolarHBondContact N-OE1 3.23Å; V43-E55 VanDerWaalsContact O-CA 3.28Å; V43-E55 WeakPolarHBondContact O-CA 3.1Å; V43-E55 PolarHBondContact O-N 2.83Å; E55-E57 PolarHBondContact O-N 2.7Å; E55-F185 HydrophobicContact CG-CZ 4.08Å; E55-F185 WeakPolarHBondContact OE1-CE1 3.17Å; E55-F185 WeakPolarHBondContact OE1-CZ 3.4Å
56	G	90.3	Very high	95.1	Very high	50 Å²	50	38.8 Å²	38.8	52%	0.515	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.5	-4.8	-176.6	0	0	0	0	0	114.6	L54	L54-G56 PolarHBondContact O-N 3.43Å
57	E	92.5	Very high	95.3	Very high	143 Å²	143	37.5 Å²	37.5	67%	0.668	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	149	178.3	-63.5	-62.5	153.6	0	0	110.8	T53 L54 E55 F59	T53-E57 CarbonylContact C-O 3.47Å; T53-E57 WeakPolarHBondContact CA-O 3.4Å; T53-E57 WeakPolarHBondContact CB-O 3.12Å; L54-E57 PolarHBondContact N-O 3.29Å; L54-E57 PolarHBondContact O-N 3.02Å; L54-E57 VanDerWaalsContact O-N 3.09Å; E55-E57 PolarHBondContact O-N 2.7Å; E57-F59 PolarHBondContact O-N 3.11Å
58	T	94.6	Very high	95.5	Very high	105 Å²	105	36.7 Å²	36.7	64%	0.644	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-56.2	126.1	173.3	-60.4	0	0	0	0	110	Q51	Q51-T58 HydrophobicContact CB-CG2 3.9Å; Q51-T58 HydrophobicContact CG-CG2 4.21Å
59	F	95.6	Very high	95.9	Very high	32 Å²	32	31 Å²	31	14%	0.14	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.8	-176.8	-175.5	-110.4	0	0	0	109.6	L45 F52 L54 E57 I61 W128 I192	L45-F59 HydrophobicContact CD1-CD1 3.76Å; L45-F59 HydrophobicContact CD1-CE1 4.38Å; F52-F59 WeakPolarHBondContact CB-O 3.29Å; F52-F59 PolarHBondContact O-N 3.46Å; L54-F59 HydrophobicContact CB-CB 3.66Å; L54-F59 HydrophobicContact CB-CD1 4.01Å; L54-F59 HydrophobicContact CB-CD2 4.23Å; L54-F59 HydrophobicContact CB-CG 3.7Å; L54-F59 HydrophobicContact CD2-CD1 4.18Å; L54-F59 HydrophobicContact CD2-CD2 4.12Å; L54-F59 HydrophobicContact CD2-CE1 4.15Å; L54-F59 HydrophobicContact CD2-CE2 4.12Å; L54-F59 HydrophobicContact CD2-CG 4.17Å; L54-F59 HydrophobicContact CD2-CZ 4.15Å; E57-F59 PolarHBondContact O-N 3.11Å; F59-I61 HydrophobicContact CD1-CG1 3.92Å; F59-I61 HydrophobicContact CE1-CB 4.49Å; F59-I61 HydrophobicContact CE1-CG1 3.53Å; F59-W128 AromaticContact CE2-NE1 3.97Å; F59-W128 AromaticContact CZ-CD1 3.53Å; F59-W128 HydrophobicContact CZ-CG 4.46Å; F59-W128 AromaticContact CZ-NE1 3.91Å; F59-I192 HydrophobicContact CE1-CD1 3.99Å
60	R	96.5	Very high	96.3	Very high	65 Å²	65	29.2 Å²	29.2	25%	0.245	17%	0.165	C	C	.	.			trans	-106.8	119.6	172.4	-174.5	166.8	-63.3	174.1	4	108.7	L62 N89 L302 G305 Y364	R60-L62 HydrophobicContact CG-CD2 4.16Å; R60-L62 PolarHBondContact O-N 3.07Å; R60-N89 PolarHBondContact O-ND2 3.27Å; R60-L302 PolarHBondContact NH1-O 3.25Å; R60-G305 VanDerWaalsContact NH2-CA 3.34Å; R60-Y364 VanDerWaalsContact NH1-CE1 3.31Å
61	I	98.5	Very high	96.6	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.139	C	C	.	.			trans	-73.9	115.6	174.2	-64.6	155.7	0	0	0	107.3	L45 F52 F59 T90 I130 M270 S307 I308	L45-I61 HydrophobicContact CD1-CD1 4.45Å; L45-I61 HydrophobicContact CD2-CD1 3.97Å; F52-I61 HydrophobicContact CD2-CD1 4.01Å; F52-I61 HydrophobicContact CE2-CD1 4.08Å; F52-I61 HydrophobicContact CG-CD1 4.29Å; F52-I61 HydrophobicContact CZ-CD1 4.41Å; F59-I61 HydrophobicContact CD1-CG1 3.92Å; F59-I61 HydrophobicContact CE1-CB 4.49Å; F59-I61 HydrophobicContact CE1-CG1 3.53Å; I61-T90 HydrophobicContact CG2-CG2 4.17Å; I61-I130 HydrophobicContact CD1-CD1 4.26Å; I61-I130 HydrophobicContact CG2-CD1 4.13Å; I61-M270 HydrophobicContact CD1-SD 4.07Å; I61-M270 HydrophobicContact CG2-CE 3.85Å; I61-S307 PolarHBondContact N-OG 3.37Å; I61-S307 VanDerWaalsContact N-OG 3.08Å; I61-S307 WeakPolarHBondContact O-CA 3.45Å; I61-S307 WeakPolarHBondContact O-CB 3.5Å; I61-I308 PolarHBondContact O-N 3.23Å
62	L	98.6	Very high	96.8	Very high	3 Å²	3	23.5 Å²	23.5	2%	0.016	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	92.4	165.3	-58.3	179.6	0	0	0	105	R60 I88 N89 T90 L302 I308 F361	R60-L62 HydrophobicContact CG-CD2 4.16Å; R60-L62 PolarHBondContact O-N 3.07Å; L62-I88 VanDerWaalsContact O-CG2 3.25Å; L62-I88 WeakPolarHBondContact O-CG2 3.44Å; L62-N89 PolarHBondContact N-OD1 3.18Å; L62-N89 PolarHBondContact O-N 3.49Å; L62-N89 PolarHBondContact O-OD1 3.2Å; L62-N89 VanDerWaalsContact O-OD1 3.08Å; L62-T90 PolarHBondContact O-N 3.43Å; L62-L302 HydrophobicContact CD2-CD2 3.6Å; L62-I308 HydrophobicContact CD2-CG2 4.2Å; L62-F361 HydrophobicContact CD1-CD1 4.04Å; L62-F361 HydrophobicContact CD1-CG 4.49Å; L62-F361 HydrophobicContact CD2-CD1 4.15Å; L62-F361 HydrophobicContact CD2-CE1 4Å
63	G	98.6	Very high	96.9	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	152.9	-170.7	0	0	0	0	0	113.2	T90 I308 N309 L310	G63-T90 CarbonylContact C-O 3.53Å; G63-T90 WeakPolarHBondContact CA-O 3.37Å; G63-I308 WeakPolarHBondContact CA-O 3.31Å; G63-I308 PolarHBondContact N-O 3.33Å; G63-N309 VanDerWaalsContact C-OD1 3.23Å; G63-N309 WeakPolarHBondContact O-CA 3.38Å; G63-L310 PolarHBondContact O-N 3.4Å
64	G	98.8	Very high	96.9	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	139.2	166.5	0	0	0	0	0	112	M83 T90 T92 N309	G64-M83 VanDerWaalsContact O-CE 3.22Å; G64-M83 WeakPolarHBondContact O-CE 3.37Å; G64-T90 PolarHBondContact N-O 2.93Å; G64-T92 PolarHBondContact O-N 3.42Å; G64-N309 VanDerWaalsContact C-OD1 3.31Å; G64-N309 WeakPolarHBondContact CA-OD1 3.44Å; G64-N309 PolarHBondContact N-OD1 3.29Å; G64-N309 VanDerWaalsContact N-OD1 3.09Å
65	S	98.9	Very high	97.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	121.2	178.3	-52.1	0	0	0	0	110.6	T92 N309 L310 Y311 M312 F313 H314	S65-T92 WeakPolarHBondContact CA-O 3.39Å; S65-N309 PolarHBondContact OG-ND2 2.83Å; S65-L310 WeakPolarHBondContact CB-O 3.38Å; S65-L310 PolarHBondContact N-O 3.19Å; S65-L310 PolarHBondContact OG-O 3.24Å; S65-L310 VanDerWaalsContact OG-O 3.13Å; S65-Y311 WeakPolarHBondContact OG-CD2 3.33Å; S65-M312 WeakPolarHBondContact O-CE 3.32Å; S65-F313 PolarHBondContact O-N 3.03Å; S65-H314 PolarHBondContact O-N 2.63Å
66	V	98.9	Very high	97.4	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	132.5	170.9	-177.8	0	0	0	0	107.9	V71 R79 M83 L91 T92 T93 Y118 F313 H314	V66-V71 HydrophobicContact CG1-CG2 4.31Å; V66-R79 HydrophobicContact CG1-CB 4.39Å; V66-M83 HydrophobicContact CB-CE 4.1Å; V66-M83 HydrophobicContact CG2-CE 3.27Å; V66-L91 HydrophobicContact CB-CD1 3.97Å; V66-T92 PolarHBondContact N-O 3.2Å; V66-T92 VanDerWaalsContact N-O 3.16Å; V66-T93 WeakPolarHBondContact O-CB 3.34Å; V66-T93 PolarHBondContact O-OG1 3.45Å; V66-Y118 WeakPolarHBondContact CG1-OH 3.41Å; V66-Y118 PolarHBondContact O-OH 3.26Å; V66-F313 HydrophobicContact CG2-CB 4.34Å; V66-F313 HydrophobicContact CG2-CD1 3.94Å; V66-H314 HydrophobicContact CG1-CB 4.41Å; V66-H314 HydrophobicContact CG2-CB 3.82Å
67	H	98.8	Very high	97.9	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.			trans	-112	116.7	-172	-63.7	-17.7	0	0	0	110.2	F69 R70 Y94 Y311 M312	H67-F69 HydrophobicContact CB-CD1 4.07Å; H67-F69 HydrophobicContact CB-CD2 4.38Å; H67-F69 HydrophobicContact CB-CE1 3.62Å; H67-F69 HydrophobicContact CB-CE2 3.92Å; H67-F69 HydrophobicContact CB-CG 4.45Å; H67-F69 HydrophobicContact CB-CZ 3.54Å; H67-F69 AromaticContact CD2-CZ 3.77Å; H67-F69 AromaticContact CG-CE1 3.95Å; H67-F69 AromaticContact CG-CZ 3.68Å; H67-F69 PolarHBondContact O-N 3.47Å; H67-R70 HydrophobicContact CB-CB 4.45Å; H67-R70 HydrophobicContact CB-CG 4.45Å; H67-R70 PolarHBondContact O-N 2.79Å; H67-Y94 AromaticContact CE1-CD2 3.56Å; H67-Y94 AromaticContact NE2-CD2 3.44Å; H67-Y94 WeakPolarHBondContact NE2-CD2 3.27Å; H67-Y311 AromaticContact NE2-CE2 3.71Å; H67-M312 VanDerWaalsContact CD2-CE 3.41Å; H67-M312 WeakPolarHBondContact CD2-CE 3.44Å; H67-M312 WeakPolarHBondContact NE2-CE 3.19Å
68	Y	98.8	Very high	98.1	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-59.4	-29.7	-177.1	60.1	-86	0	0	0	113.3	R70 V71 W76 Y94 P96 H100 E112 L113 L115 Y118	Y68-R70 VanDerWaalsContact C-N 3.25Å; Y68-R70 PolarHBondContact O-N 2.7Å; Y68-V71 PolarHBondContact O-N 3.23Å; Y68-W76 HydrophobicContact CD2-CZ2 4.33Å; Y68-W76 PolarHBondContact O-NE1 3.27Å; Y68-W76 VanDerWaalsContact O-NE1 3.1Å; Y68-Y94 VanDerWaalsContact CE1-O 3.24Å; Y68-Y94 WeakPolarHBondContact CE1-O 3.43Å; Y68-P96 VanDerWaalsContact OH-CD 3.24Å; Y68-P96 WeakPolarHBondContact OH-CD 3.49Å; Y68-H100 AromaticContact CE2-NE2 3.99Å; Y68-H100 AromaticContact CZ-NE2 3.77Å; Y68-H100 PolarHBondContact OH-NE2 2.85Å; Y68-E112 WeakPolarHBondContact CD2-O 3.36Å; Y68-L113 HydrophobicContact CE2-CD2 4.14Å; Y68-L115 HydrophobicContact CD1-CD1 4.21Å; Y68-L115 HydrophobicContact CE1-CD1 3.56Å; Y68-Y118 AromaticContact CD1-CD1 3.64Å; Y68-Y118 HydrophobicContact CD1-CD1 3.64Å; Y68-Y118 AromaticContact CD1-CE1 3.9Å; Y68-Y118 HydrophobicContact CD1-CE1 3.9Å; Y68-Y118 HydrophobicContact CD1-CG 4.3Å; Y68-Y118 AromaticContact CG-CD1 3.97Å; Y68-Y118 HydrophobicContact CG-CD1 3.97Å; Y68-Y118 HydrophobicContact CG-CE1 4.33Å; Y68-Y118 HydrophobicContact CG-CG 4.18Å
69	F	98.4	Very high	98.3	Very high	12 Å²	12	19.7 Å²	19.7	5%	0.053	9%	0.093	C	C	.	.	G	3₁₀ helix	trans	-76.3	-8.7	178.9	55.8	-96.3	0	0	0	114.1	H67 P96 L99 L113 I137 L141	H67-F69 HydrophobicContact CB-CD1 4.07Å; H67-F69 HydrophobicContact CB-CD2 4.38Å; H67-F69 HydrophobicContact CB-CE1 3.62Å; H67-F69 HydrophobicContact CB-CE2 3.92Å; H67-F69 HydrophobicContact CB-CG 4.45Å; H67-F69 HydrophobicContact CB-CZ 3.54Å; H67-F69 AromaticContact CD2-CZ 3.77Å; H67-F69 AromaticContact CG-CE1 3.95Å; H67-F69 AromaticContact CG-CZ 3.68Å; H67-F69 PolarHBondContact O-N 3.47Å; F69-P96 HydrophobicContact CB-CG 4.02Å; F69-P96 HydrophobicContact CD1-CB 4.31Å; F69-P96 VanDerWaalsContact CD1-CD 3.46Å; F69-P96 HydrophobicContact CD1-CG 3.45Å; F69-P96 VanDerWaalsContact CD1-CG 3.45Å; F69-P96 HydrophobicContact CD2-CG 4.32Å; F69-P96 HydrophobicContact CE1-CB 4.34Å; F69-P96 HydrophobicContact CE1-CG 3.89Å; F69-P96 HydrophobicContact CG-CB 4.46Å; F69-P96 HydrophobicContact CG-CG 3.68Å; F69-L99 HydrophobicContact CB-CD1 3.82Å; F69-L99 HydrophobicContact CD2-CD1 4.42Å; F69-L99 HydrophobicContact CG-CD1 4.32Å; F69-L113 HydrophobicContact CB-CD2 4.24Å; F69-I137 HydrophobicContact CZ-CD1 4.36Å; F69-L141 HydrophobicContact CD2-CD1 4.4Å; F69-L141 HydrophobicContact CE2-CD1 3.69Å; F69-L141 HydrophobicContact CE2-CD2 4.24Å; F69-L141 HydrophobicContact CE2-CG 4.36Å; F69-L141 HydrophobicContact CZ-CD1 4.05Å
70	R	98.7	Very high	98.5	Very high	2 Å²	2	18.2 Å²	18.2	1%	0.008	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-105	-2.1	174.3	-71.9	-170.5	163.9	126.3	-1	113.5	H67 Y68 S139 G315 T317 N318 Y338	H67-R70 HydrophobicContact CB-CB 4.45Å; H67-R70 HydrophobicContact CB-CG 4.45Å; H67-R70 PolarHBondContact O-N 2.79Å; Y68-R70 VanDerWaalsContact C-N 3.25Å; Y68-R70 PolarHBondContact O-N 2.7Å; R70-S139 PolarHBondContact NH1-O 2.77Å; R70-S139 PolarHBondContact NH1-OG 3.41Å; R70-S139 PolarHBondContact NH2-O 3.38Å; R70-G315 WeakPolarHBondContact CB-O 3.41Å; R70-G315 WeakPolarHBondContact CD-O 3.28Å; R70-T317 WeakPolarHBondContact CA-O 3.38Å; R70-T317 WeakPolarHBondContact CB-O 3.47Å; R70-T317 WeakPolarHBondContact CG-O 3.35Å; R70-T317 PolarHBondContact O-N 2.85Å; R70-T317 VanDerWaalsContact O-N 3.12Å; R70-N318 PolarHBondContact NE-OD1 3.16Å; R70-N318 PolarHBondContact NH2-OD1 3.03Å; R70-Y338 VanDerWaalsContact CD-CD1 3.5Å; R70-Y338 VanDerWaalsContact NH1-CD1 3.31Å
71	V	98.6	Very high	98.6	Very high	4 Å²	4	18.9 Å²	18.9	2%	0.024	9%	0.094	C	C	.	.	S	Bend	trans	-129.2	124.4	-174.9	-179.1	0	0	0	0	108	V66 Y68 R73 W76 R79	V66-V71 HydrophobicContact CG1-CG2 4.31Å; Y68-V71 PolarHBondContact O-N 3.23Å; V71-R73 PolarHBondContact O-N 2.82Å; V71-W76 PolarHBondContact O-NE1 2.88Å; V71-R79 HydrophobicContact CG1-CG 3.7Å; V71-R79 HydrophobicContact CG2-CG 4.45Å
72	P	98	Very high	98.6	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.019	9%	0.094	C	C	.	.			trans	-53.3	139.8	175.2	-26.2	34.2	0	0	0	111.8	A74 Y75 W76 E112 F319 P596 F599	P72-A74 PolarHBondContact O-N 3.22Å; P72-A74 VanDerWaalsContact O-N 3.08Å; P72-Y75 HydrophobicContact CB-CD2 4.38Å; P72-Y75 HydrophobicContact CG-CD2 4.25Å; P72-Y75 WeakPolarHBondContact O-CA 3.34Å; P72-Y75 WeakPolarHBondContact O-CB 3.13Å; P72-Y75 PolarHBondContact O-N 3.13Å; P72-W76 PolarHBondContact O-N 2.93Å; P72-E112 WeakPolarHBondContact CA-OE2 3.39Å; P72-F319 HydrophobicContact CG-CE2 4.33Å; P72-F319 HydrophobicContact CG-CZ 4.33Å; P72-P596 HydrophobicContact CG-CB 3.77Å; P72-P596 HydrophobicContact CG-CG 3.59Å; P72-F599 HydrophobicContact CB-CE1 4.06Å; P72-F599 HydrophobicContact CB-CZ 4.42Å; P72-F599 HydrophobicContact CG-CE1 4.04Å; P72-F599 HydrophobicContact CG-CZ 3.97Å
73	R	98.2	Very high	98.6	Very high	87 Å²	87	18.8 Å²	18.8	33%	0.328	9%	0.093	S	C	.	.	H	α-helix	trans	-52.4	-39.3	-176	-179.8	-174.7	-176.5	94.6	-7	112.9	V71 Y75 W76 T111 E112 D114	V71-R73 PolarHBondContact O-N 2.82Å; R73-Y75 PolarHBondContact O-N 2.9Å; R73-W76 HydrophobicContact CB-CD2 4.22Å; R73-W76 HydrophobicContact CB-CE3 4.39Å; R73-W76 HydrophobicContact CB-CH2 4.17Å; R73-W76 HydrophobicContact CB-CZ2 3.94Å; R73-W76 HydrophobicContact CB-CZ3 4.4Å; R73-W76 HydrophobicContact CG-CD2 4.05Å; R73-W76 HydrophobicContact CG-CE3 3.74Å; R73-W76 HydrophobicContact CG-CH2 3.88Å; R73-W76 HydrophobicContact CG-CZ2 4.13Å; R73-W76 HydrophobicContact CG-CZ3 3.69Å; R73-W76 PolarHBondContact O-N 3.48Å; R73-T111 WeakPolarHBondContact CD-O 3.44Å; R73-T111 PolarHBondContact NH1-O 3.06Å; R73-E112 WeakPolarHBondContact CB-OE1 3.17Å; R73-E112 PolarHBondContact N-OE1 3.36Å; R73-E112 PolarHBondContact N-OE2 3.41Å; R73-D114 IonicContact CZ-OD2 2.67Å; R73-D114 VanDerWaalsContact NH1-CB 3.25Å; R73-D114 IonicContact NH1-OD2 3.55Å; R73-D114 PolarHBondContact NH1-OD2 3.33Å; R73-D114 IonicContact NH2-OD2 2.61Å; R73-D114 PolarHBondContact NH2-OD2 3.47Å
74	A	97.8	Very high	98.6	Very high	69 Å²	69	21.4 Å²	21.4	57%	0.57	11%	0.105	S	C	*	.	H	α-helix	trans	-57.1	-22.4	177.4	0	0	0	0	0	113.1	P72 P598	P72-A74 PolarHBondContact O-N 3.22Å; P72-A74 VanDerWaalsContact O-N 3.08Å; A74-P598 HydrophobicContact CB-CB 4.07Å; A74-P598 HydrophobicContact CB-CG 3.62Å
75	Y	98.6	Very high	98.6	Very high	1 Å²	1	21.5 Å²	21.5	0%	0.004	11%	0.105	C	C	.	.	H	α-helix	trans	-104.9	-10.3	-175.7	-67.1	-7.7	0	0	0	114.4	P72 R73 R77 D78 R79 R376 D561 Y594 P596 G597 P598	P72-Y75 HydrophobicContact CB-CD2 4.38Å; P72-Y75 HydrophobicContact CG-CD2 4.25Å; P72-Y75 WeakPolarHBondContact O-CA 3.34Å; P72-Y75 WeakPolarHBondContact O-CB 3.13Å; P72-Y75 PolarHBondContact O-N 3.13Å; R73-Y75 PolarHBondContact O-N 2.9Å; Y75-R77 PolarHBondContact O-N 2.97Å; Y75-R77 VanDerWaalsContact O-N 3.17Å; Y75-D78 WeakPolarHBondContact O-CB 3.47Å; Y75-D78 PolarHBondContact O-N 2.85Å; Y75-R79 WeakPolarHBondContact O-CG 3.34Å; Y75-R79 PolarHBondContact O-N 3.23Å; Y75-R376 PolarHBondContact OH-NH1 2.71Å; Y75-D561 WeakPolarHBondContact CE2-OD1 3.27Å; Y75-D561 PolarHBondContact OH-OD1 3.28Å; Y75-Y594 VanDerWaalsContact CE2-OH 3.32Å; Y75-Y594 WeakPolarHBondContact CE2-OH 3.23Å; Y75-P596 HydrophobicContact CE2-CB 3.93Å; Y75-G597 PolarHBondContact OH-N 3.39Å; Y75-P598 HydrophobicContact CD1-CG 4.17Å; Y75-P598 HydrophobicContact CE1-CG 3.43Å; Y75-P598 VanDerWaalsContact CE1-CG 3.43Å; Y75-P598 HydrophobicContact CE2-CG 4.24Å; Y75-P598 WeakPolarHBondContact OH-CD 3.37Å
76	W	98.8	Very high	98.6	Very high	5 Å²	5	21.5 Å²	21.5	2%	0.019	11%	0.105	C	C	.	.	H	α-helix	trans	-50.5	-46.6	178.9	-67.3	-12	0	0	0	112.5	Y68 V71 P72 R73 D78 R79 L80 E112 Y118 L121	Y68-W76 HydrophobicContact CD2-CZ2 4.33Å; Y68-W76 PolarHBondContact O-NE1 3.27Å; Y68-W76 VanDerWaalsContact O-NE1 3.1Å; V71-W76 PolarHBondContact O-NE1 2.88Å; P72-W76 PolarHBondContact O-N 2.93Å; R73-W76 HydrophobicContact CB-CD2 4.22Å; R73-W76 HydrophobicContact CB-CE3 4.39Å; R73-W76 HydrophobicContact CB-CH2 4.17Å; R73-W76 HydrophobicContact CB-CZ2 3.94Å; R73-W76 HydrophobicContact CB-CZ3 4.4Å; R73-W76 HydrophobicContact CG-CD2 4.05Å; R73-W76 HydrophobicContact CG-CE3 3.74Å; R73-W76 HydrophobicContact CG-CH2 3.88Å; R73-W76 HydrophobicContact CG-CZ2 4.13Å; R73-W76 HydrophobicContact CG-CZ3 3.69Å; R73-W76 PolarHBondContact O-N 3.48Å; W76-D78 VanDerWaalsContact C-N 3.33Å; W76-D78 PolarHBondContact O-N 2.93Å; W76-R79 PolarHBondContact O-N 3.37Å; W76-L80 WeakPolarHBondContact O-CB 3.43Å; W76-L80 VanDerWaalsContact O-CG 3.29Å; W76-L80 WeakPolarHBondContact O-CG 3.41Å; W76-L80 PolarHBondContact O-N 2.93Å; W76-E112 WeakPolarHBondContact CZ2-O 3.38Å; W76-Y118 HydrophobicContact CB-CD2 3.93Å; W76-Y118 HydrophobicContact CB-CE2 3.9Å; W76-Y118 AromaticContact CD2-CD2 3.47Å; W76-Y118 HydrophobicContact CD2-CD2 3.47Å; W76-Y118 VanDerWaalsContact CD2-CD2 3.47Å; W76-Y118 HydrophobicContact CD2-CE2 4.09Å; W76-Y118 HydrophobicContact CD2-CG 4.37Å; W76-Y118 AromaticContact CE3-CD2 3.63Å; W76-Y118 HydrophobicContact CE3-CD2 3.63Å; W76-Y118 HydrophobicContact CE3-CG 4.27Å; W76-Y118 AromaticContact CG-CD2 3.62Å; W76-Y118 HydrophobicContact CG-CD2 3.62Å; W76-Y118 AromaticContact CG-CE2 3.75Å; W76-Y118 HydrophobicContact CG-CE2 3.75Å; W76-Y118 HydrophobicContact CZ3-CD2 4.3Å; W76-L121 HydrophobicContact CB-CD2 3.62Å
77	R	98.8	Very high	98.6	Very high	104 Å²	104	21.5 Å²	21.5	39%	0.392	11%	0.105	S	C	.	.	H	α-helix	trans	-62.9	-40.9	-178.9	-176.3	-179.9	-80.8	-80.7	4.1	111.6	Y75 M81 L121 E124	Y75-R77 PolarHBondContact O-N 2.97Å; Y75-R77 VanDerWaalsContact O-N 3.17Å; R77-M81 VanDerWaalsContact CD-CE 3.41Å; R77-M81 HydrophobicContact CG-CE 3.35Å; R77-M81 HydrophobicContact CG-CG 4.42Å; R77-M81 WeakPolarHBondContact O-CB 3.43Å; R77-M81 VanDerWaalsContact O-CG 3.31Å; R77-M81 WeakPolarHBondContact O-CG 3.37Å; R77-M81 PolarHBondContact O-N 3.26Å; R77-L121 HydrophobicContact CB-CD1 4.04Å; R77-L121 HydrophobicContact CB-CD2 4Å; R77-L121 HydrophobicContact CG-CD1 4.08Å; R77-E124 IonicContact CZ-OE2 3.58Å; R77-E124 IonicContact NH2-OE2 3.35Å; R77-E124 PolarHBondContact NH2-OE2 2.86Å
78	D	98.7	Very high	98.6	Very high	24 Å²	24	21.5 Å²	21.5	13%	0.128	11%	0.105	C	C	.	.	H	α-helix	trans	-61.1	-50.5	177.2	174.4	85.2	0	0	0	111	Y75 W76 L80 M81 K82	Y75-D78 WeakPolarHBondContact O-CB 3.47Å; Y75-D78 PolarHBondContact O-N 2.85Å; W76-D78 VanDerWaalsContact C-N 3.33Å; W76-D78 PolarHBondContact O-N 2.93Å; D78-L80 VanDerWaalsContact C-N 3.34Å; D78-L80 PolarHBondContact O-N 3.43Å; D78-M81 PolarHBondContact O-N 3.18Å; D78-K82 WeakPolarHBondContact O-CG 3.38Å; D78-K82 PolarHBondContact O-N 2.89Å; D78-K82 WeakPolarHBondContact OD1-CE 3.45Å; D78-K82 IonicContact OD1-NZ 3.26Å; D78-K82 PolarHBondContact OD1-NZ 2.88Å; D78-K82 WeakPolarHBondContact OD2-CE 3.38Å; D78-K82 IonicContact OD2-NZ 3.83Å; D78-K82 PolarHBondContact OD2-NZ 3.31Å
79	R	98.8	Very high	98.6	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	11%	0.111	C	C	.	.	H	α-helix	trans	-62.1	-41.9	-178.8	-51.9	-46.6	-176.6	-106.7	1.1	111.9	V66 V71 Y75 W76 K82 M83 H314 S347	V66-R79 HydrophobicContact CG1-CB 4.39Å; V71-R79 HydrophobicContact CG1-CG 3.7Å; V71-R79 HydrophobicContact CG2-CG 4.45Å; Y75-R79 WeakPolarHBondContact O-CG 3.34Å; Y75-R79 PolarHBondContact O-N 3.23Å; W76-R79 PolarHBondContact O-N 3.37Å; R79-K82 PolarHBondContact O-N 2.98Å; R79-M83 PolarHBondContact O-N 3.48Å; R79-H314 PolarHBondContact NE-NE2 3.39Å; R79-S347 PolarHBondContact NH2-O 2.88Å
80	L	98.9	Very high	98.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-69.7	-36.1	178.3	-65.1	-178.4	0	0	0	112.7	W76 D78 M83 K84 L91 Y118 L121 A122 V125 L127	W76-L80 WeakPolarHBondContact O-CB 3.43Å; W76-L80 VanDerWaalsContact O-CG 3.29Å; W76-L80 WeakPolarHBondContact O-CG 3.41Å; W76-L80 PolarHBondContact O-N 2.93Å; D78-L80 VanDerWaalsContact C-N 3.34Å; D78-L80 PolarHBondContact O-N 3.43Å; L80-M83 HydrophobicContact CD2-SD 4.34Å; L80-M83 WeakPolarHBondContact O-CB 3.37Å; L80-M83 PolarHBondContact O-N 2.82Å; L80-K84 PolarHBondContact O-N 3.14Å; L80-L91 HydrophobicContact CD1-CD2 4.49Å; L80-L91 HydrophobicContact CD2-CD1 3.79Å; L80-L91 HydrophobicContact CD2-CD2 3.82Å; L80-L91 HydrophobicContact CD2-CG 4.29Å; L80-Y118 HydrophobicContact CD1-CD2 4.43Å; L80-Y118 HydrophobicContact CD1-CE2 3.95Å; L80-Y118 HydrophobicContact CD2-CE2 4.47Å; L80-Y118 HydrophobicContact CG-CE2 4.34Å; L80-L121 HydrophobicContact CD1-CD2 4.18Å; L80-L121 HydrophobicContact CD1-CG 4.03Å; L80-A122 HydrophobicContact CD1-CB 4.18Å; L80-V125 HydrophobicContact CB-CG1 4.38Å; L80-V125 HydrophobicContact CB-CG2 4.22Å; L80-L127 HydrophobicContact CB-CD1 4.1Å; L80-L127 HydrophobicContact CD2-CD1 4.07Å
81	M	98.8	Very high	98.6	Very high	79 Å²	79	21.8 Å²	21.8	39%	0.389	11%	0.108	S	C	.	.	H	α-helix	trans	-65.3	-40.5	173	-76.6	-158.8	-129.7	0	0	111.8	R77 D78 K84 A85 V125 P373	R77-M81 VanDerWaalsContact CD-CE 3.41Å; R77-M81 HydrophobicContact CG-CE 3.35Å; R77-M81 HydrophobicContact CG-CG 4.42Å; R77-M81 WeakPolarHBondContact O-CB 3.43Å; R77-M81 VanDerWaalsContact O-CG 3.31Å; R77-M81 WeakPolarHBondContact O-CG 3.37Å; R77-M81 PolarHBondContact O-N 3.26Å; D78-M81 PolarHBondContact O-N 3.18Å; M81-K84 PolarHBondContact O-N 3.44Å; M81-A85 VanDerWaalsContact O-CB 3.29Å; M81-A85 WeakPolarHBondContact O-CB 3.3Å; M81-A85 PolarHBondContact O-N 3.43Å; M81-V125 HydrophobicContact CG-CG1 4.46Å; M81-V125 HydrophobicContact CG-CG2 4.3Å; M81-P373 HydrophobicContact CB-CG 3.72Å
82	K	98.9	Very high	98.6	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.009	11%	0.107	C	C	.	.	H	α-helix	trans	-63.4	-41.7	174.5	-69.8	177.2	175.1	159.5	0	111.7	D78 R79 A85 C86 L344 G348 Y350 Y354 P373	D78-K82 WeakPolarHBondContact O-CG 3.38Å; D78-K82 PolarHBondContact O-N 2.89Å; D78-K82 WeakPolarHBondContact OD1-CE 3.45Å; D78-K82 IonicContact OD1-NZ 3.26Å; D78-K82 PolarHBondContact OD1-NZ 2.88Å; D78-K82 WeakPolarHBondContact OD2-CE 3.38Å; D78-K82 IonicContact OD2-NZ 3.83Å; D78-K82 PolarHBondContact OD2-NZ 3.31Å; R79-K82 PolarHBondContact O-N 2.98Å; K82-A85 PolarHBondContact O-N 2.94Å; K82-C86 PolarHBondContact O-N 2.9Å; K82-L344 HydrophobicContact CB-CD1 3.76Å; K82-L344 HydrophobicContact CB-CD2 4.46Å; K82-L344 HydrophobicContact CD-CD1 4.13Å; K82-L344 HydrophobicContact CD-CD2 4.3Å; K82-G348 PolarHBondContact NZ-O 3.06Å; K82-Y350 HydrophobicContact CB-CE1 4.16Å; K82-Y350 HydrophobicContact CD-CE1 3.87Å; K82-Y350 HydrophobicContact CG-CE1 3.78Å; K82-Y350 WeakPolarHBondContact CG-OH 3.29Å; K82-Y354 HydrophobicContact CB-CE2 4.49Å; K82-Y354 WeakPolarHBondContact O-CE2 3.17Å; K82-Y354 PolarHBondContact O-OH 2.91Å; K82-Y354 VanDerWaalsContact O-OH 3.04Å; K82-P373 HydrophobicContact CG-CB 4.28Å; K82-P373 HydrophobicContact CG-CG 4Å
83	M	98.6	Very high	98.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-55.2	-53.1	171	175	-176.5	-75.2	0	0	111.7	G64 V66 R79 L80 A85 C86 I88 L91 L127 F313	G64-M83 VanDerWaalsContact O-CE 3.22Å; G64-M83 WeakPolarHBondContact O-CE 3.37Å; V66-M83 HydrophobicContact CB-CE 4.1Å; V66-M83 HydrophobicContact CG2-CE 3.27Å; R79-M83 PolarHBondContact O-N 3.48Å; L80-M83 HydrophobicContact CD2-SD 4.34Å; L80-M83 WeakPolarHBondContact O-CB 3.37Å; L80-M83 PolarHBondContact O-N 2.82Å; M83-A85 VanDerWaalsContact C-N 3.31Å; M83-A85 PolarHBondContact O-N 3.43Å; M83-C86 WeakPolarHBondContact O-CB 3.12Å; M83-C86 PolarHBondContact O-N 2.91Å; M83-C86 VanDerWaalsContact O-N 3.1Å; M83-I88 HydrophobicContact CE-CG2 4.47Å; M83-I88 HydrophobicContact CG-CB 3.49Å; M83-I88 VanDerWaalsContact CG-CB 3.49Å; M83-I88 HydrophobicContact CG-CD1 3.88Å; M83-I88 HydrophobicContact CG-CG1 4.29Å; M83-I88 HydrophobicContact CG-CG2 3.3Å; M83-I88 WeakPolarHBondContact O-CB 3.49Å; M83-I88 PolarHBondContact O-N 3.4Å; M83-I88 HydrophobicContact SD-CB 4.46Å; M83-I88 HydrophobicContact SD-CG2 3.61Å; M83-L91 HydrophobicContact CE-CD1 3.8Å; M83-L91 HydrophobicContact SD-CB 4.12Å; M83-L91 HydrophobicContact SD-CD1 4.12Å; M83-L127 HydrophobicContact CG-CD1 4.32Å; M83-L127 HydrophobicContact CG-CD2 4.34Å; M83-L127 HydrophobicContact SD-CD1 3.75Å; M83-L127 HydrophobicContact SD-CD2 4.21Å; M83-F313 HydrophobicContact CB-CD1 4Å; M83-F313 HydrophobicContact CB-CE1 3.56Å; M83-F313 HydrophobicContact CB-CZ 4.25Å; M83-F313 HydrophobicContact CE-CB 4.37Å; M83-F313 HydrophobicContact CE-CD1 3.78Å; M83-F313 HydrophobicContact CE-CG 4.28Å; M83-F313 HydrophobicContact CG-CD1 4.26Å; M83-F313 HydrophobicContact CG-CE1 4.17Å
84	K	98.6	Very high	98.7	Very high	56 Å²	56	17.4 Å²	17.4	24%	0.243	9%	0.09	C	C	.	.	H	α-helix	trans	-60.8	-41.3	179.3	-176.3	63.2	178.6	-174.5	0	112.2	L80 M81 C86 G87 V125 G126 L127 P370	L80-K84 PolarHBondContact O-N 3.14Å; M81-K84 PolarHBondContact O-N 3.44Å; K84-C86 VanDerWaalsContact C-N 3.32Å; K84-C86 PolarHBondContact O-N 2.65Å; K84-G87 PolarHBondContact O-N 2.88Å; K84-G87 VanDerWaalsContact O-N 3.11Å; K84-V125 HydrophobicContact CB-CG1 3.75Å; K84-V125 HydrophobicContact CG-CG1 4.2Å; K84-G126 PolarHBondContact NZ-O 3.08Å; K84-L127 HydrophobicContact CB-CD2 4.28Å; K84-L127 HydrophobicContact CD-CD2 3.91Å; K84-L127 HydrophobicContact CD-CG 4.41Å; K84-P370 HydrophobicContact CG-CG 4.34Å
85	A	98.7	Very high	98.7	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.008	6%	0.063	C	C	.	.	H	α-helix	trans	-63.1	-37	175.8	0	0	0	0	0	111.3	M81 K82 M83 G87 R358	M81-A85 VanDerWaalsContact O-CB 3.29Å; M81-A85 WeakPolarHBondContact O-CB 3.3Å; M81-A85 PolarHBondContact O-N 3.43Å; K82-A85 PolarHBondContact O-N 2.94Å; M83-A85 VanDerWaalsContact C-N 3.31Å; M83-A85 PolarHBondContact O-N 3.43Å; A85-G87 PolarHBondContact O-N 2.97Å; A85-R358 PolarHBondContact O-NH1 3.06Å
86	C	98.7	Very high	98.7	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-61.5	-15.1	175.1	-162	0	0	0	0	113.4	K82 M83 K84 F313 Y354 R358 F361	K82-C86 PolarHBondContact O-N 2.9Å; M83-C86 WeakPolarHBondContact O-CB 3.12Å; M83-C86 PolarHBondContact O-N 2.91Å; M83-C86 VanDerWaalsContact O-N 3.1Å; K84-C86 VanDerWaalsContact C-N 3.32Å; K84-C86 PolarHBondContact O-N 2.65Å; C86-F313 HydrophobicContact CB-CE2 3.94Å; C86-F313 HydrophobicContact CB-CZ 3.83Å; C86-Y354 HydrophobicContact CB-CD2 4.13Å; C86-Y354 HydrophobicContact CB-CE2 3.54Å; C86-Y354 PolarHBondContact N-OH 2.73Å; C86-R358 WeakPolarHBondContact O-CA 3.46Å; C86-F361 WeakPolarHBondContact O-CD2 3.45Å
87	G	98.4	Very high	98.7	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.01	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.4	14.3	-173.2	0	0	0	0	0	113	K84 A85 H365	K84-G87 PolarHBondContact O-N 2.88Å; K84-G87 VanDerWaalsContact O-N 3.11Å; A85-G87 PolarHBondContact O-N 2.97Å; G87-H365 PolarHBondContact O-CE1 2.96Å; G87-H365 PolarHBondContact O-NE2 3.03Å
88	I	98.6	Very high	98.7	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.045	C	C	.	.			trans	-76.3	136.8	168.6	-69.8	167.7	0	0	0	108.5	L62 M83 T90 L127 L310 F313 F361	L62-I88 VanDerWaalsContact O-CG2 3.25Å; L62-I88 WeakPolarHBondContact O-CG2 3.44Å; M83-I88 HydrophobicContact CE-CG2 4.47Å; M83-I88 HydrophobicContact CG-CB 3.49Å; M83-I88 VanDerWaalsContact CG-CB 3.49Å; M83-I88 HydrophobicContact CG-CD1 3.88Å; M83-I88 HydrophobicContact CG-CG1 4.29Å; M83-I88 HydrophobicContact CG-CG2 3.3Å; M83-I88 WeakPolarHBondContact O-CB 3.49Å; M83-I88 PolarHBondContact O-N 3.4Å; M83-I88 HydrophobicContact SD-CB 4.46Å; M83-I88 HydrophobicContact SD-CG2 3.61Å; I88-T90 VanDerWaalsContact CG2-O 3.29Å; I88-T90 WeakPolarHBondContact CG2-O 3.36Å; I88-L127 HydrophobicContact CG2-CD2 4.49Å; I88-L127 VanDerWaalsContact O-CD2 3.29Å; I88-L127 WeakPolarHBondContact O-CD2 3.2Å; I88-L310 HydrophobicContact CD1-CD1 4.34Å; I88-F313 HydrophobicContact CD1-CB 4.33Å; I88-F313 HydrophobicContact CD1-CD1 4.17Å; I88-F313 HydrophobicContact CD1-CD2 3.16Å; I88-F313 HydrophobicContact CD1-CE1 4.31Å; I88-F313 HydrophobicContact CD1-CE2 3.33Å; I88-F313 HydrophobicContact CD1-CG 3.6Å; I88-F313 HydrophobicContact CD1-CZ 3.91Å; I88-F361 HydrophobicContact CG1-CE2 4.2Å
89	N	98.4	Very high	98.7	Very high	21 Å²	21	9.5 Å²	9.5	11%	0.112	5%	0.047	C	C	.	.			trans	-110.3	-12.5	-179.1	66.3	25	0	0	0	113.3	R60 L62 W128	R60-N89 PolarHBondContact O-ND2 3.27Å; L62-N89 PolarHBondContact N-OD1 3.18Å; L62-N89 PolarHBondContact O-N 3.49Å; L62-N89 PolarHBondContact O-OD1 3.2Å; L62-N89 VanDerWaalsContact O-OD1 3.08Å; N89-W128 PolarHBondContact O-N 3.24Å
90	T	98.9	Very high	98.7	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	123.1	-175.2	-53.4	0	0	0	0	110.6	I61 L62 G63 G64 I88 W128 I130 I192	I61-T90 HydrophobicContact CG2-CG2 4.17Å; L62-T90 PolarHBondContact O-N 3.43Å; G63-T90 CarbonylContact C-O 3.53Å; G63-T90 WeakPolarHBondContact CA-O 3.37Å; G64-T90 PolarHBondContact N-O 2.93Å; I88-T90 VanDerWaalsContact CG2-O 3.29Å; I88-T90 WeakPolarHBondContact CG2-O 3.36Å; T90-W128 CarbonylContact C-O 3.57Å; T90-W128 WeakPolarHBondContact CA-O 3.37Å; T90-W128 HydrophobicContact CG2-CB 4.14Å; T90-I130 HydrophobicContact CG2-CD1 3.96Å; T90-I130 HydrophobicContact CG2-CG1 3.7Å; T90-I192 HydrophobicContact CG2-CD1 4.3Å
91	L	98.9	Very high	98.6	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	134.8	168.9	169.1	65.5	0	0	0	109.5	V66 L80 M83 Y118 A122 W128 V129 I130	V66-L91 HydrophobicContact CB-CD1 3.97Å; L80-L91 HydrophobicContact CD1-CD2 4.49Å; L80-L91 HydrophobicContact CD2-CD1 3.79Å; L80-L91 HydrophobicContact CD2-CD2 3.82Å; L80-L91 HydrophobicContact CD2-CG 4.29Å; M83-L91 HydrophobicContact CE-CD1 3.8Å; M83-L91 HydrophobicContact SD-CB 4.12Å; M83-L91 HydrophobicContact SD-CD1 4.12Å; L91-Y118 HydrophobicContact CD2-CD1 4.41Å; L91-Y118 HydrophobicContact CD2-CE1 3.7Å; L91-A122 HydrophobicContact CD2-CB 3.64Å; L91-W128 PolarHBondContact N-O 3.22Å; L91-V129 HydrophobicContact CB-CG2 4.38Å; L91-V129 HydrophobicContact CD2-CG2 4.36Å; L91-V129 CarbonylContact O-C 3.51Å; L91-V129 VanDerWaalsContact O-CA 3.29Å; L91-V129 WeakPolarHBondContact O-CA 3.35Å; L91-I130 PolarHBondContact O-N 2.86Å
92	T	98.9	Very high	98.4	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	4%	0.04	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.2	167.1	-55.1	0	0	0	0	109.3	G64 S65 V66 I130 R132 M272 N309	G64-T92 PolarHBondContact O-N 3.42Å; S65-T92 WeakPolarHBondContact CA-O 3.39Å; V66-T92 PolarHBondContact N-O 3.2Å; V66-T92 VanDerWaalsContact N-O 3.16Å; T92-I130 WeakPolarHBondContact CA-O 3.39Å; T92-I130 HydrophobicContact CG2-CB 4.4Å; T92-I130 HydrophobicContact CG2-CG2 4.41Å; T92-R132 HydrophobicContact CG2-CG 3.99Å; T92-M272 HydrophobicContact CG2-SD 4.46Å; T92-N309 VanDerWaalsContact CB-OD1 3.27Å; T92-N309 WeakPolarHBondContact CB-OD1 3.39Å; T92-N309 VanDerWaalsContact OG1-CG 3.22Å; T92-N309 PolarHBondContact OG1-OD1 2.79Å
93	T	98.9	Very high	98.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	142.9	175.8	-171.2	0	0	0	0	112.2	V66 Y118 I130 L131 R132	V66-T93 WeakPolarHBondContact O-CB 3.34Å; V66-T93 PolarHBondContact O-OG1 3.45Å; T93-Y118 HydrophobicContact CG2-CD1 4.39Å; T93-Y118 HydrophobicContact CG2-CE1 4.13Å; T93-I130 PolarHBondContact N-O 2.67Å; T93-L131 HydrophobicContact CG2-CD1 4.22Å; T93-R132 PolarHBondContact O-N 2.8Å
94	Y	98.9	Very high	98.1	Very high	2 Å²	2	16.1 Å²	16.1	1%	0.008	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	167.6	168.1	-75.5	-59.7	0	0	0	112.7	H67 Y68 R132 I137 N198 E273 Y311	H67-Y94 AromaticContact CE1-CD2 3.56Å; H67-Y94 AromaticContact NE2-CD2 3.44Å; H67-Y94 WeakPolarHBondContact NE2-CD2 3.27Å; Y68-Y94 VanDerWaalsContact CE1-O 3.24Å; Y68-Y94 WeakPolarHBondContact CE1-O 3.43Å; Y94-R132 CarbonylContact C-O 3.58Å; Y94-R132 VanDerWaalsContact CA-O 3.28Å; Y94-R132 WeakPolarHBondContact CA-O 3.47Å; Y94-R132 HydrophobicContact CD1-CB 3.28Å; Y94-R132 HydrophobicContact CD1-CG 4.27Å; Y94-R132 HydrophobicContact CE1-CB 3.6Å; Y94-R132 HydrophobicContact CE1-CG 4.28Å; Y94-R132 VanDerWaalsContact CE1-CZ 3.46Å; Y94-R132 HydrophobicContact CG-CB 4.22Å; Y94-R132 PolarHBondContact OH-NH1 2.64Å; Y94-R132 PolarHBondContact OH-NH2 3.31Å; Y94-I137 HydrophobicContact CD1-CB 3.53Å; Y94-I137 HydrophobicContact CD1-CG2 3.49Å; Y94-I137 VanDerWaalsContact CD1-CG2 3.49Å; Y94-I137 HydrophobicContact CD2-CB 4.34Å; Y94-I137 HydrophobicContact CE1-CB 3.92Å; Y94-I137 HydrophobicContact CE1-CG2 4.13Å; Y94-I137 HydrophobicContact CG-CB 3.77Å; Y94-I137 HydrophobicContact CG-CD1 4.23Å; Y94-I137 HydrophobicContact CG-CG2 4Å; Y94-I137 PolarHBondContact OH-O 2.93Å; Y94-N198 HydrophobicContact CE1-CB 4.33Å; Y94-N198 PolarHBondContact OH-ND2 2.96Å; Y94-N198 PolarHBondContact OH-OD1 3.16Å; Y94-E273 PolarHBondContact OH-OE1 3.44Å; Y94-Y311 HydrophobicContact CD2-CE2 4.42Å; Y94-Y311 AromaticContact CE2-CE2 3.73Å; Y94-Y311 HydrophobicContact CE2-CE2 3.73Å
95	V	98.8	Very high	97.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.088	C	C	.	.			trans	-121.9	112.1	168.8	-177.2	0	0	0	0	109.3	W97 H100 L115 L131 R132 F172 L176	V95-W97 PolarHBondContact O-N 3.42Å; V95-H100 VanDerWaalsContact CG1-CD2 3.4Å; V95-H100 WeakPolarHBondContact CG1-CD2 3.38Å; V95-L115 HydrophobicContact CG1-CD2 4.4Å; V95-L115 HydrophobicContact CG2-CD1 4.35Å; V95-L115 HydrophobicContact CG2-CD2 3.75Å; V95-L131 HydrophobicContact CG2-CD1 3.8Å; V95-R132 PolarHBondContact N-O 3.26Å; V95-R132 VanDerWaalsContact N-O 3.12Å; V95-F172 HydrophobicContact CG1-CZ 4.09Å; V95-L176 HydrophobicContact CB-CD2 4.32Å; V95-L176 HydrophobicContact CG1-CD1 3.78Å; V95-L176 HydrophobicContact CG1-CD2 3.85Å; V95-L176 HydrophobicContact CG1-CG 4.48Å
96	P	98.2	Very high	97.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.104	C	C	.	.			trans	-82.1	101.2	-176.3	33.3	-33	0	0	0	110.6	Y68 F69 S98 L99 H100 I137 L141	Y68-P96 VanDerWaalsContact OH-CD 3.24Å; Y68-P96 WeakPolarHBondContact OH-CD 3.49Å; F69-P96 HydrophobicContact CB-CG 4.02Å; F69-P96 HydrophobicContact CD1-CB 4.31Å; F69-P96 VanDerWaalsContact CD1-CD 3.46Å; F69-P96 HydrophobicContact CD1-CG 3.45Å; F69-P96 VanDerWaalsContact CD1-CG 3.45Å; F69-P96 HydrophobicContact CD2-CG 4.32Å; F69-P96 HydrophobicContact CE1-CB 4.34Å; F69-P96 HydrophobicContact CE1-CG 3.89Å; F69-P96 HydrophobicContact CG-CB 4.46Å; F69-P96 HydrophobicContact CG-CG 3.68Å; P96-S98 VanDerWaalsContact C-N 3.26Å; P96-S98 PolarHBondContact O-N 3.39Å; P96-L99 HydrophobicContact CB-CB 4.31Å; P96-L99 HydrophobicContact CB-CD1 4.05Å; P96-L99 HydrophobicContact CB-CG 4.01Å; P96-L99 HydrophobicContact CG-CB 4Å; P96-L99 HydrophobicContact CG-CD1 3.74Å; P96-L99 HydrophobicContact CG-CG 4.02Å; P96-L99 PolarHBondContact O-N 3.02Å; P96-L99 VanDerWaalsContact O-N 3.09Å; P96-H100 PolarHBondContact O-CD2 3.19Å; P96-H100 VanDerWaalsContact O-CD2 3.25Å; P96-H100 PolarHBondContact O-N 2.67Å; P96-H100 VanDerWaalsContact O-N 3.15Å; P96-I137 HydrophobicContact CB-CD1 3.96Å; P96-L141 HydrophobicContact CB-CD1 4.01Å
97	W	98.8	Very high	97.7	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-54.3	-43.4	-178.7	-179.5	10.5	0	0	0	111.9	V95 L99 H100 Q101 P135 G145 L146 P147 W149 L150 F165 A168 V169 F172	V95-W97 PolarHBondContact O-N 3.42Å; W97-L99 PolarHBondContact O-N 3.06Å; W97-H100 PolarHBondContact O-N 3.42Å; W97-H100 VanDerWaalsContact O-N 3.13Å; W97-Q101 PolarHBondContact O-N 2.8Å; W97-P135 HydrophobicContact CE3-CB 3.61Å; W97-P135 HydrophobicContact CZ3-CB 3.77Å; W97-G145 CarbonylContact C-O 3.51Å; W97-G145 WeakPolarHBondContact CB-O 3.2Å; W97-G145 PolarHBondContact N-O 3.04Å; W97-L146 HydrophobicContact CE3-CD2 3.51Å; W97-L146 HydrophobicContact CZ3-CD2 3.81Å; W97-P147 VanDerWaalsContact CD2-CD 3.44Å; W97-P147 HydrophobicContact CD2-CG 3.91Å; W97-P147 HydrophobicContact CG-CG 4.14Å; W97-P147 HydrophobicContact CZ2-CG 4.19Å; W97-W149 AromaticContact CZ2-CH2 3.98Å; W97-W149 HydrophobicContact CZ2-CH2 3.98Å; W97-W149 HydrophobicContact CZ2-CZ2 4.12Å; W97-L150 HydrophobicContact CH2-CD1 4.04Å; W97-L150 HydrophobicContact CH2-CD2 4.21Å; W97-L150 HydrophobicContact CZ3-CD1 4.03Å; W97-F165 HydrophobicContact CH2-CE2 4.49Å; W97-F165 AromaticContact CZ3-CE2 3.98Å; W97-F165 HydrophobicContact CZ3-CE2 3.98Å; W97-F165 HydrophobicContact CZ3-CZ 4.28Å; W97-A168 HydrophobicContact CH2-CB 3.7Å; W97-A168 HydrophobicContact CZ2-CB 3.9Å; W97-A168 WeakPolarHBondContact CZ2-O 3.49Å; W97-V169 HydrophobicContact CH2-CG2 3.9Å; W97-V169 HydrophobicContact CZ3-CG2 3.78Å; W97-F172 HydrophobicContact CB-CD1 4.15Å; W97-F172 HydrophobicContact CB-CE1 3.72Å; W97-F172 HydrophobicContact CB-CE2 4.21Å; W97-F172 HydrophobicContact CB-CZ 3.76Å; W97-F172 AromaticContact CD1-CD1 3.84Å; W97-F172 AromaticContact CD1-CD2 3.21Å; W97-F172 AromaticContact CD1-CE2 3.5Å; W97-F172 AromaticContact CD1-CG 3.4Å; W97-F172 AromaticContact CD1-CZ 3.92Å; W97-F172 HydrophobicContact CD2-CB 4.19Å; W97-F172 AromaticContact CD2-CD1 3.83Å; W97-F172 HydrophobicContact CD2-CD1 3.83Å; W97-F172 HydrophobicContact CD2-CD2 4.48Å; W97-F172 HydrophobicContact CD2-CE1 4.33Å; W97-F172 AromaticContact CD2-CG 3.91Å; W97-F172 HydrophobicContact CD2-CG 3.91Å; W97-F172 AromaticContact CE2-CG 3.74Å; W97-F172 HydrophobicContact CE3-CD1 4.38Å; W97-F172 HydrophobicContact CG-CB 4.47Å; W97-F172 AromaticContact CG-CD1 3.69Å; W97-F172 HydrophobicContact CG-CD1 3.69Å; W97-F172 AromaticContact CG-CD2 3.89Å; W97-F172 HydrophobicContact CG-CD2 3.89Å; W97-F172 AromaticContact CG-CE1 3.78Å; W97-F172 HydrophobicContact CG-CE1 3.78Å; W97-F172 AromaticContact CG-CE2 3.99Å; W97-F172 HydrophobicContact CG-CE2 3.99Å; W97-F172 AromaticContact CG-CG 3.75Å; W97-F172 HydrophobicContact CG-CG 3.75Å; W97-F172 AromaticContact CG-CZ 3.93Å; W97-F172 HydrophobicContact CG-CZ 3.93Å; W97-F172 HydrophobicContact CZ2-CB 3.83Å; W97-F172 HydrophobicContact CZ2-CG 4.46Å; W97-F172 AromaticContact NE1-CD2 3.51Å; W97-F172 AromaticContact NE1-CG 3.43Å
98	S	98.2	Very high	97.6	Very high	5 Å²	5	24.1 Å²	24.1	4%	0.035	13%	0.129	C	C	.	.	H	α-helix	trans	-55.6	-34.4	178.3	58	0	0	0	0	114.2	P96 P102 G145	P96-S98 VanDerWaalsContact C-N 3.26Å; P96-S98 PolarHBondContact O-N 3.39Å; S98-P102 WeakPolarHBondContact O-CA 3.33Å; S98-G145 PolarHBondContact N-O 3.36Å; S98-G145 PolarHBondContact OG-O 3.06Å
99	L	98	Very high	97.6	Very high	32 Å²	32	25 Å²	25	17%	0.168	13%	0.132	C	C	.	.	H	α-helix	trans	-84.2	-34.4	178.6	-54.8	-176	0	0	0	112	F69 P96 W97 L113 M322	F69-L99 HydrophobicContact CB-CD1 3.82Å; F69-L99 HydrophobicContact CD2-CD1 4.42Å; F69-L99 HydrophobicContact CG-CD1 4.32Å; P96-L99 HydrophobicContact CB-CB 4.31Å; P96-L99 HydrophobicContact CB-CD1 4.05Å; P96-L99 HydrophobicContact CB-CG 4.01Å; P96-L99 HydrophobicContact CG-CB 4Å; P96-L99 HydrophobicContact CG-CD1 3.74Å; P96-L99 HydrophobicContact CG-CG 4.02Å; P96-L99 PolarHBondContact O-N 3.02Å; P96-L99 VanDerWaalsContact O-N 3.09Å; W97-L99 PolarHBondContact O-N 3.06Å; L99-L113 HydrophobicContact CB-CD1 3.94Å; L99-L113 HydrophobicContact CB-CD2 3.92Å; L99-L113 HydrophobicContact CD1-CD2 4.22Å; L99-L113 WeakPolarHBondContact O-CD1 3.43Å; L99-M322 HydrophobicContact CD1-CE 4.08Å
100	H	98.6	Very high	97.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-75.9	-26.5	176.9	-75.2	-67.3	0	0	0	113.7	Y68 V95 P96 W97 F107 H108 F109 L113 F172	Y68-H100 AromaticContact CE2-NE2 3.99Å; Y68-H100 AromaticContact CZ-NE2 3.77Å; Y68-H100 PolarHBondContact OH-NE2 2.85Å; V95-H100 VanDerWaalsContact CG1-CD2 3.4Å; V95-H100 WeakPolarHBondContact CG1-CD2 3.38Å; P96-H100 PolarHBondContact O-CD2 3.19Å; P96-H100 VanDerWaalsContact O-CD2 3.25Å; P96-H100 PolarHBondContact O-N 2.67Å; P96-H100 VanDerWaalsContact O-N 3.15Å; W97-H100 PolarHBondContact O-N 3.42Å; W97-H100 VanDerWaalsContact O-N 3.13Å; H100-F107 CarbonylContact O-C 3.43Å; H100-F107 WeakPolarHBondContact O-CA 3.45Å; H100-H108 PolarHBondContact ND1-O 2.9Å; H100-H108 PolarHBondContact O-N 2.78Å; H100-F109 HydrophobicContact CB-CE1 4.4Å; H100-F109 HydrophobicContact CB-CZ 4.44Å; H100-F109 AromaticContact CE1-CD1 3.77Å; H100-F109 AromaticContact CE1-CE1 3.9Å; H100-F109 AromaticContact CG-CE1 3.94Å; H100-F109 AromaticContact ND1-CD1 3.45Å; H100-F109 WeakPolarHBondContact ND1-CD1 3.44Å; H100-F109 AromaticContact ND1-CE1 3.43Å; H100-F109 WeakPolarHBondContact ND1-CE1 3.31Å; H100-L113 PolarHBondContact CE1-O 2.96Å; H100-L113 VanDerWaalsContact CE1-O 3.25Å; H100-F172 HydrophobicContact CB-CE2 3.91Å
101	Q	98	Very high	97.2	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	18%	0.182	C	C	.	.			trans	-136.4	66.9	178.2	-165.6	-178	25.6	0	0	110.7	W97 E103 G105 V106 F107 W149	W97-Q101 PolarHBondContact O-N 2.8Å; Q101-E103 VanDerWaalsContact CG-O 3.25Å; Q101-E103 WeakPolarHBondContact CG-O 3.28Å; Q101-E103 PolarHBondContact O-N 3.01Å; Q101-G105 VanDerWaalsContact NE2-N 3.13Å; Q101-V106 WeakPolarHBondContact CA-O 3.36Å; Q101-V106 WeakPolarHBondContact CG-O 3.08Å; Q101-F107 HydrophobicContact CB-CD1 4.11Å; Q101-F107 HydrophobicContact CB-CE1 4.04Å; Q101-F107 VanDerWaalsContact CD-CZ 3.49Å; Q101-F107 HydrophobicContact CG-CD1 4.18Å; Q101-F107 HydrophobicContact CG-CE1 3.88Å; Q101-F107 HydrophobicContact CG-CZ 4.1Å; Q101-W149 HydrophobicContact CG-CZ2 4.23Å; Q101-W149 PolarHBondContact O-NE1 2.92Å
102	P	94.9	Very high	97	Very high	38 Å²	38	37.7 Å²	37.7	25%	0.247	20%	0.198	C	C	.	.	S	Bend	trans	-65.4	-24.8	-177.9	28.7	-35.6	0	0	0	112.1	S98	S98-P102 WeakPolarHBondContact O-CA 3.33Å
103	E	95.1	Very high	97	Very high	40 Å²	40	38.9 Å²	38.9	19%	0.187	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-129.2	145.3	176.1	-68.5	177.7	-157.4	0	0	109.6	Q101 G105 V106 N420 K524	Q101-E103 VanDerWaalsContact CG-O 3.25Å; Q101-E103 WeakPolarHBondContact CG-O 3.28Å; Q101-E103 PolarHBondContact O-N 3.01Å; E103-G105 PolarHBondContact O-N 2.6Å; E103-G105 VanDerWaalsContact O-N 3.16Å; E103-V106 HydrophobicContact CB-CB 4.04Å; E103-V106 HydrophobicContact CB-CG2 3.95Å; E103-V106 PolarHBondContact O-N 3.04Å; E103-N420 HydrophobicContact CB-CB 4.31Å; E103-N420 HydrophobicContact CG-CB 4.08Å; E103-K524 IonicContact OE1-NZ 2.82Å; E103-K524 PolarHBondContact OE1-NZ 2.98Å
104	R	94.7	Very high	97	Very high	142 Å²	142	40.4 Å²	40.4	54%	0.536	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	122.1	-179.7	-165.5	177.9	-162	-134.1	-2.9	109.7	V106 W149 E167 N420	R104-V106 VanDerWaalsContact C-N 3.31Å; R104-V106 PolarHBondContact O-N 2.94Å; R104-W149 HydrophobicContact CB-CD2 4.16Å; R104-W149 HydrophobicContact CB-CE3 4.28Å; R104-W149 HydrophobicContact CG-CE3 4.32Å; R104-W149 HydrophobicContact CG-CH2 4.4Å; R104-W149 HydrophobicContact CG-CZ3 4.19Å; R104-E167 IonicContact NH2-OE1 3.14Å; R104-E167 PolarHBondContact NH2-OE1 2.62Å; R104-N420 WeakPolarHBondContact CB-OD1 3.46Å; R104-N420 PolarHBondContact N-OD1 2.88Å
105	G	93.7	Very high	97	Very high	51 Å²	51	40.5 Å²	40.5	53%	0.526	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	82	-8.4	-179	0	0	0	0	0	116.3	Q101 E103 F107	Q101-G105 VanDerWaalsContact NE2-N 3.13Å; E103-G105 PolarHBondContact O-N 2.6Å; E103-G105 VanDerWaalsContact O-N 3.16Å; G105-F107 WeakPolarHBondContact O-CD2 3.34Å
106	V	96.4	Very high	97	Very high	58 Å²	58	43.3 Å²	43.3	35%	0.352	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-98.4	127.4	177.1	-178.6	0	0	0	0	109.5	Q101 E103 R104	Q101-V106 WeakPolarHBondContact CA-O 3.36Å; Q101-V106 WeakPolarHBondContact CG-O 3.08Å; E103-V106 HydrophobicContact CB-CB 4.04Å; E103-V106 HydrophobicContact CB-CG2 3.95Å; E103-V106 PolarHBondContact O-N 3.04Å; R104-V106 VanDerWaalsContact C-N 3.31Å; R104-V106 PolarHBondContact O-N 2.94Å
107	F	97.9	Very high	97	Very high	42 Å²	42	44.6 Å²	44.6	18%	0.184	24%	0.237	C	C	.	.			trans	-126	135	-175.3	-66.2	-92.5	0	0	0	113.2	H100 Q101 G105 F109 T171 F172 K175	H100-F107 CarbonylContact O-C 3.43Å; H100-F107 WeakPolarHBondContact O-CA 3.45Å; Q101-F107 HydrophobicContact CB-CD1 4.11Å; Q101-F107 HydrophobicContact CB-CE1 4.04Å; Q101-F107 VanDerWaalsContact CD-CZ 3.49Å; Q101-F107 HydrophobicContact CG-CD1 4.18Å; Q101-F107 HydrophobicContact CG-CE1 3.88Å; Q101-F107 HydrophobicContact CG-CZ 4.1Å; G105-F107 WeakPolarHBondContact O-CD2 3.34Å; F107-F109 HydrophobicContact CB-CD2 4.23Å; F107-F109 HydrophobicContact CB-CE2 3.85Å; F107-F109 HydrophobicContact CD1-CE2 4.12Å; F107-F109 HydrophobicContact CG-CE2 4.38Å; F107-T171 HydrophobicContact CZ-CG2 4.18Å; F107-F172 HydrophobicContact CE1-CD2 4.16Å; F107-K175 HydrophobicContact CD1-CB 3.78Å; F107-K175 HydrophobicContact CD1-CG 3.87Å; F107-K175 HydrophobicContact CD2-CG 3.86Å; F107-K175 HydrophobicContact CE1-CB 3.68Å; F107-K175 HydrophobicContact CE1-CG 3.56Å; F107-K175 HydrophobicContact CE2-CD 4.42Å; F107-K175 HydrophobicContact CE2-CG 3.57Å; F107-K175 HydrophobicContact CG-CB 4.23Å; F107-K175 HydrophobicContact CG-CG 3.99Å; F107-K175 HydrophobicContact CZ-CB 4.06Å; F107-K175 HydrophobicContact CZ-CG 3.38Å
108	H	97.4	Very high	97	Very high	75 Å²	75	44.6 Å²	44.6	35%	0.347	24%	0.237	S	C	.	.			trans	-117.9	125.1	178	-58.3	-59.2	0	0	0	111.2	H100 L113	H100-H108 PolarHBondContact ND1-O 2.9Å; H100-H108 PolarHBondContact O-N 2.78Å; H108-L113 HydrophobicContact CB-CD1 3.99Å
109	F	97.7	Very high	97	Very high	17 Å²	17	44.4 Å²	44.4	8%	0.075	24%	0.235	C	C	.	.			trans	-142	29.4	178.3	-66.7	-78.5	0	0	0	111.1	H100 F107 L113 D114 K175 L176 K179	H100-F109 HydrophobicContact CB-CE1 4.4Å; H100-F109 HydrophobicContact CB-CZ 4.44Å; H100-F109 AromaticContact CE1-CD1 3.77Å; H100-F109 AromaticContact CE1-CE1 3.9Å; H100-F109 AromaticContact CG-CE1 3.94Å; H100-F109 AromaticContact ND1-CD1 3.45Å; H100-F109 WeakPolarHBondContact ND1-CD1 3.44Å; H100-F109 AromaticContact ND1-CE1 3.43Å; H100-F109 WeakPolarHBondContact ND1-CE1 3.31Å; F107-F109 HydrophobicContact CB-CD2 4.23Å; F107-F109 HydrophobicContact CB-CE2 3.85Å; F107-F109 HydrophobicContact CD1-CE2 4.12Å; F107-F109 HydrophobicContact CG-CE2 4.38Å; F109-L113 CarbonylContact C-O 3.5Å; F109-L113 WeakPolarHBondContact CA-O 3.18Å; F109-D114 WeakPolarHBondContact O-CA 3.37Å; F109-D114 WeakPolarHBondContact O-CB 3.46Å; F109-K175 HydrophobicContact CE2-CB 4.3Å; F109-L176 HydrophobicContact CE1-CD1 3.87Å; F109-L176 HydrophobicContact CZ-CB 4.48Å; F109-L176 HydrophobicContact CZ-CD1 4.41Å; F109-K179 HydrophobicContact CB-CD 4.16Å; F109-K179 HydrophobicContact CD1-CD 3.69Å; F109-K179 HydrophobicContact CD2-CD 3.78Å; F109-K179 VanDerWaalsContact CD2-CE 3.43Å; F109-K179 HydrophobicContact CE1-CD 3.92Å; F109-K179 HydrophobicContact CE2-CD 3.98Å; F109-K179 HydrophobicContact CG-CD 3.6Å; F109-K179 HydrophobicContact CZ-CD 4.06Å
110	Q	96.1	Very high	97.1	Very high	112 Å²	112	46 Å²	46	52%	0.523	24%	0.244	S	C	.	.	S	Bend	trans	-119.6	169.9	-178	-62.5	82.3	12.3	0	0	109.4	E112 L113 D114	Q110-E112 PolarHBondContact O-N 2.94Å; Q110-L113 CarbonylContact O-C 3.46Å; Q110-L113 WeakPolarHBondContact O-CA 3.4Å; Q110-L113 PolarHBondContact O-N 3.31Å; Q110-D114 PolarHBondContact O-N 3.45Å
111	T	93.6	Very high	97.1	Very high	102 Å²	102	47 Å²	47	63%	0.626	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	52.8	-116.2	173.4	66.6	0	0	0	0	112.4	R73 L113	R73-T111 WeakPolarHBondContact CD-O 3.44Å; R73-T111 PolarHBondContact NH1-O 3.06Å; T111-L113 PolarHBondContact O-N 2.96Å
112	E	95.4	Very high	97.1	Very high	74 Å²	74	47 Å²	47	35%	0.346	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-72.6	-14.3	-179.4	-59.8	-58	141.9	0	0	112.9	Y68 P72 R73 W76 Q110	Y68-E112 WeakPolarHBondContact CD2-O 3.36Å; P72-E112 WeakPolarHBondContact CA-OE2 3.39Å; R73-E112 WeakPolarHBondContact CB-OE1 3.17Å; R73-E112 PolarHBondContact N-OE1 3.36Å; R73-E112 PolarHBondContact N-OE2 3.41Å; W76-E112 WeakPolarHBondContact CZ2-O 3.38Å; Q110-E112 PolarHBondContact O-N 2.94Å
113	L	98.1	Very high	97.3	Very high	25 Å²	25	46.7 Å²	46.7	13%	0.131	25%	0.25	C	S	.	.	G	3₁₀ helix	trans	-113.6	15.8	-179.8	-61.2	178.4	0	0	0	112.9	Y68 F69 L99 H100 H108 F109 Q110 T111 L115	Y68-L113 HydrophobicContact CE2-CD2 4.14Å; F69-L113 HydrophobicContact CB-CD2 4.24Å; L99-L113 HydrophobicContact CB-CD1 3.94Å; L99-L113 HydrophobicContact CB-CD2 3.92Å; L99-L113 HydrophobicContact CD1-CD2 4.22Å; L99-L113 WeakPolarHBondContact O-CD1 3.43Å; H100-L113 PolarHBondContact CE1-O 2.96Å; H100-L113 VanDerWaalsContact CE1-O 3.25Å; H108-L113 HydrophobicContact CB-CD1 3.99Å; F109-L113 CarbonylContact C-O 3.5Å; F109-L113 WeakPolarHBondContact CA-O 3.18Å; Q110-L113 CarbonylContact O-C 3.46Å; Q110-L113 WeakPolarHBondContact O-CA 3.4Å; Q110-L113 PolarHBondContact O-N 3.31Å; T111-L113 PolarHBondContact O-N 2.96Å; L113-L115 VanDerWaalsContact C-N 3.3Å; L113-L115 PolarHBondContact O-N 2.97Å
114	D	98.6	Very high	97.4	Very high	33 Å²	33	50.9 Å²	50.9	18%	0.176	27%	0.27	C	S	.	.			trans	-80.4	82.7	176	170.3	13.3	0	0	0	110.6	R73 F109 Q110 E116 A117 Y118	R73-D114 IonicContact CZ-OD2 2.67Å; R73-D114 VanDerWaalsContact NH1-CB 3.25Å; R73-D114 IonicContact NH1-OD2 3.55Å; R73-D114 PolarHBondContact NH1-OD2 3.33Å; R73-D114 IonicContact NH2-OD2 2.61Å; R73-D114 PolarHBondContact NH2-OD2 3.47Å; F109-D114 WeakPolarHBondContact O-CA 3.37Å; F109-D114 WeakPolarHBondContact O-CB 3.46Å; Q110-D114 PolarHBondContact O-N 3.45Å; D114-E116 VanDerWaalsContact C-N 3.27Å; D114-E116 PolarHBondContact O-N 3.49Å; D114-A117 HydrophobicContact CB-CB 4.44Å; D114-A117 PolarHBondContact O-N 3.49Å; D114-A117 WeakPolarHBondContact OD1-CB 3.43Å; D114-A117 PolarHBondContact OD1-N 2.94Å; D114-A117 WeakPolarHBondContact OD2-CB 3.45Å; D114-Y118 PolarHBondContact O-N 2.87Å; D114-Y118 VanDerWaalsContact O-N 3.12Å
115	L	98.6	Very high	97.6	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-59	-37	179.3	179	62.6	0	0	0	112.4	Y68 V95 L113 Y118 I119 L131 L176 V180	Y68-L115 HydrophobicContact CD1-CD1 4.21Å; Y68-L115 HydrophobicContact CE1-CD1 3.56Å; V95-L115 HydrophobicContact CG1-CD2 4.4Å; V95-L115 HydrophobicContact CG2-CD1 4.35Å; V95-L115 HydrophobicContact CG2-CD2 3.75Å; L113-L115 VanDerWaalsContact C-N 3.3Å; L113-L115 PolarHBondContact O-N 2.97Å; L115-Y118 PolarHBondContact O-N 3.18Å; L115-I119 HydrophobicContact CD1-CD1 3.77Å; L115-I119 HydrophobicContact CD1-CG1 4.05Å; L115-I119 HydrophobicContact CD2-CD1 4.5Å; L115-I119 HydrophobicContact CG-CD1 3.84Å; L115-I119 HydrophobicContact CG-CG1 4.43Å; L115-I119 WeakPolarHBondContact O-CG1 3.05Å; L115-I119 PolarHBondContact O-N 3.22Å; L115-L131 HydrophobicContact CD1-CD1 4.44Å; L115-L176 HydrophobicContact CD2-CD1 3.67Å; L115-V180 HydrophobicContact CD2-CG1 3.69Å; L115-V180 HydrophobicContact CG-CG1 4.37Å
116	E	98.6	Very high	97.8	Very high	60 Å²	60	44.2 Å²	44.2	28%	0.28	24%	0.241	S	C	.	.	H	α-helix	trans	-64	-46.8	-179.9	-65.3	179	-116	0	0	110.4	D114 Y118 I119 N120 K179 L183	D114-E116 VanDerWaalsContact C-N 3.27Å; D114-E116 PolarHBondContact O-N 3.49Å; E116-Y118 VanDerWaalsContact C-N 3.34Å; E116-Y118 PolarHBondContact O-N 3.49Å; E116-I119 PolarHBondContact O-N 3.09Å; E116-N120 WeakPolarHBondContact O-CB 3.13Å; E116-N120 PolarHBondContact O-N 2.9Å; E116-N120 PolarHBondContact O-ND2 3.41Å; E116-K179 HydrophobicContact CG-CB 4.02Å; E116-K179 WeakPolarHBondContact OE1-CG 3.31Å; E116-K179 IonicContact OE1-NZ 2.68Å; E116-K179 PolarHBondContact OE1-NZ 2.92Å; E116-L183 HydrophobicContact CB-CD1 4.34Å; E116-L183 HydrophobicContact CG-CD1 4.3Å
117	A	98.7	Very high	97.9	Very high	26 Å²	26	41.5 Å²	41.5	22%	0.215	23%	0.225	C	C	.	.	H	α-helix	trans	-64.8	-37.8	175.2	0	0	0	0	0	112.6	D114 N120 L121	D114-A117 HydrophobicContact CB-CB 4.44Å; D114-A117 PolarHBondContact O-N 3.49Å; D114-A117 WeakPolarHBondContact OD1-CB 3.43Å; D114-A117 PolarHBondContact OD1-N 2.94Å; D114-A117 WeakPolarHBondContact OD2-CB 3.45Å; A117-N120 PolarHBondContact O-N 3.12Å; A117-L121 VanDerWaalsContact O-CB 3.22Å; A117-L121 WeakPolarHBondContact O-CB 3.44Å; A117-L121 PolarHBondContact O-N 3.07Å
118	Y	98.9	Very high	97.9	Very high	1 Å²	1	41 Å²	41	0%	0.004	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-45.6	178	-174.8	-117	0	0	0	112.3	V66 Y68 W76 L80 L91 T93 D114 L115 E116 L121 A122	V66-Y118 WeakPolarHBondContact CG1-OH 3.41Å; V66-Y118 PolarHBondContact O-OH 3.26Å; Y68-Y118 AromaticContact CD1-CD1 3.64Å; Y68-Y118 HydrophobicContact CD1-CD1 3.64Å; Y68-Y118 AromaticContact CD1-CE1 3.9Å; Y68-Y118 HydrophobicContact CD1-CE1 3.9Å; Y68-Y118 HydrophobicContact CD1-CG 4.3Å; Y68-Y118 AromaticContact CG-CD1 3.97Å; Y68-Y118 HydrophobicContact CG-CD1 3.97Å; Y68-Y118 HydrophobicContact CG-CE1 4.33Å; Y68-Y118 HydrophobicContact CG-CG 4.18Å; W76-Y118 HydrophobicContact CB-CD2 3.93Å; W76-Y118 HydrophobicContact CB-CE2 3.9Å; W76-Y118 AromaticContact CD2-CD2 3.47Å; W76-Y118 HydrophobicContact CD2-CD2 3.47Å; W76-Y118 VanDerWaalsContact CD2-CD2 3.47Å; W76-Y118 HydrophobicContact CD2-CE2 4.09Å; W76-Y118 HydrophobicContact CD2-CG 4.37Å; W76-Y118 AromaticContact CE3-CD2 3.63Å; W76-Y118 HydrophobicContact CE3-CD2 3.63Å; W76-Y118 HydrophobicContact CE3-CG 4.27Å; W76-Y118 AromaticContact CG-CD2 3.62Å; W76-Y118 HydrophobicContact CG-CD2 3.62Å; W76-Y118 AromaticContact CG-CE2 3.75Å; W76-Y118 HydrophobicContact CG-CE2 3.75Å; W76-Y118 HydrophobicContact CZ3-CD2 4.3Å; L80-Y118 HydrophobicContact CD1-CD2 4.43Å; L80-Y118 HydrophobicContact CD1-CE2 3.95Å; L80-Y118 HydrophobicContact CD2-CE2 4.47Å; L80-Y118 HydrophobicContact CG-CE2 4.34Å; L91-Y118 HydrophobicContact CD2-CD1 4.41Å; L91-Y118 HydrophobicContact CD2-CE1 3.7Å; T93-Y118 HydrophobicContact CG2-CD1 4.39Å; T93-Y118 HydrophobicContact CG2-CE1 4.13Å; D114-Y118 PolarHBondContact O-N 2.87Å; D114-Y118 VanDerWaalsContact O-N 3.12Å; L115-Y118 PolarHBondContact O-N 3.18Å; E116-Y118 VanDerWaalsContact C-N 3.34Å; E116-Y118 PolarHBondContact O-N 3.49Å; Y118-L121 WeakPolarHBondContact O-CB 3.38Å; Y118-L121 PolarHBondContact O-N 3.01Å; Y118-A122 PolarHBondContact O-N 3.44Å; Y118-A122 VanDerWaalsContact O-N 3.07Å
119	I	98.9	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-67.3	-41.4	177.9	-68.5	174.6	0	0	0	110.9	L115 E116 L121 A122 A123 V129 L131 V180 L183 P190 I191	L115-I119 HydrophobicContact CD1-CD1 3.77Å; L115-I119 HydrophobicContact CD1-CG1 4.05Å; L115-I119 HydrophobicContact CD2-CD1 4.5Å; L115-I119 HydrophobicContact CG-CD1 3.84Å; L115-I119 HydrophobicContact CG-CG1 4.43Å; L115-I119 WeakPolarHBondContact O-CG1 3.05Å; L115-I119 PolarHBondContact O-N 3.22Å; E116-I119 PolarHBondContact O-N 3.09Å; I119-L121 VanDerWaalsContact C-N 3.31Å; I119-L121 PolarHBondContact O-N 3.4Å; I119-A122 WeakPolarHBondContact O-CB 3.4Å; I119-A122 PolarHBondContact O-N 3.48Å; I119-A123 PolarHBondContact O-N 3.28Å; I119-V129 HydrophobicContact CG2-CG2 4.32Å; I119-L131 HydrophobicContact CD1-CD1 4.17Å; I119-V180 HydrophobicContact CD1-CG1 4.29Å; I119-L183 HydrophobicContact CB-CD1 3.89Å; I119-L183 HydrophobicContact CD1-CD1 4.07Å; I119-L183 HydrophobicContact CG2-CB 3.97Å; I119-L183 HydrophobicContact CG2-CD1 3.76Å; I119-L183 HydrophobicContact CG2-CG 4.36Å; I119-P190 HydrophobicContact CG2-CG 3.51Å; I119-I191 HydrophobicContact CD1-CD1 4.04Å; I119-I191 HydrophobicContact CD1-CG1 4.5Å; I119-I191 HydrophobicContact CG2-CD1 4.34Å; I119-I191 HydrophobicContact CG2-CG1 4.04Å
120	N	98.7	Very high	98.1	Very high	67 Å²	67	36.7 Å²	36.7	36%	0.358	20%	0.201	S	C	.	.	H	α-helix	trans	-62.9	-39.1	175	-78.2	-51.6	0	0	0	111.9	E116 A117 A122 A123 E124 L183	E116-N120 WeakPolarHBondContact O-CB 3.13Å; E116-N120 PolarHBondContact O-N 2.9Å; E116-N120 PolarHBondContact O-ND2 3.41Å; A117-N120 PolarHBondContact O-N 3.12Å; N120-A122 VanDerWaalsContact C-N 3.3Å; N120-A122 PolarHBondContact O-N 2.76Å; N120-A123 WeakPolarHBondContact O-CA 2.95Å; N120-A123 VanDerWaalsContact O-CB 3.32Å; N120-A123 WeakPolarHBondContact O-CB 3.04Å; N120-A123 PolarHBondContact O-N 3.05Å; N120-A123 VanDerWaalsContact O-N 3.09Å; N120-E124 WeakPolarHBondContact O-CG 3.38Å; N120-E124 PolarHBondContact O-N 2.76Å; N120-L183 WeakPolarHBondContact OD1-CD2 3.49Å
121	L	98.9	Very high	98.2	Very high	20 Å²	20	31.4 Å²	31.4	11%	0.105	18%	0.177	C	C	.	.	H	α-helix	trans	-62.2	-37.6	175.2	179	63	0	0	0	112.1	W76 R77 L80 A117 Y118 I119 A123 E124 V125	W76-L121 HydrophobicContact CB-CD2 3.62Å; R77-L121 HydrophobicContact CB-CD1 4.04Å; R77-L121 HydrophobicContact CB-CD2 4Å; R77-L121 HydrophobicContact CG-CD1 4.08Å; L80-L121 HydrophobicContact CD1-CD2 4.18Å; L80-L121 HydrophobicContact CD1-CG 4.03Å; A117-L121 VanDerWaalsContact O-CB 3.22Å; A117-L121 WeakPolarHBondContact O-CB 3.44Å; A117-L121 PolarHBondContact O-N 3.07Å; Y118-L121 WeakPolarHBondContact O-CB 3.38Å; Y118-L121 PolarHBondContact O-N 3.01Å; I119-L121 VanDerWaalsContact C-N 3.31Å; I119-L121 PolarHBondContact O-N 3.4Å; L121-A123 VanDerWaalsContact C-N 3.32Å; L121-A123 PolarHBondContact O-N 3.31Å; L121-E124 PolarHBondContact O-N 3.08Å; L121-V125 HydrophobicContact CD1-CG2 4.49Å; L121-V125 WeakPolarHBondContact O-CG2 3.46Å; L121-V125 PolarHBondContact O-N 3.16Å
122	A	98.8	Very high	98.5	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-60.2	-42.7	172.3	0	0	0	0	0	111.5	L80 L91 Y118 I119 N120 E124 V125 G126 L127 V129	L80-A122 HydrophobicContact CD1-CB 4.18Å; L91-A122 HydrophobicContact CD2-CB 3.64Å; Y118-A122 PolarHBondContact O-N 3.44Å; Y118-A122 VanDerWaalsContact O-N 3.07Å; I119-A122 WeakPolarHBondContact O-CB 3.4Å; I119-A122 PolarHBondContact O-N 3.48Å; N120-A122 VanDerWaalsContact C-N 3.3Å; N120-A122 PolarHBondContact O-N 2.76Å; A122-E124 PolarHBondContact O-N 3Å; A122-V125 PolarHBondContact O-N 3.01Å; A122-G126 PolarHBondContact O-N 2.97Å; A122-G126 VanDerWaalsContact O-N 3.12Å; A122-L127 HydrophobicContact CB-CB 4.29Å; A122-L127 PolarHBondContact O-N 2.84Å; A122-V129 HydrophobicContact CB-CG2 3.85Å
123	A	98.3	Very high	98.6	Very high	33 Å²	33	23 Å²	23	27%	0.273	13%	0.131	S	C	.	.	H	α-helix	trans	-61.7	-42.7	174.3	0	0	0	0	0	112.3	I119 N120 L121 V125 G126 P190	I119-A123 PolarHBondContact O-N 3.28Å; N120-A123 WeakPolarHBondContact O-CA 2.95Å; N120-A123 VanDerWaalsContact O-CB 3.32Å; N120-A123 WeakPolarHBondContact O-CB 3.04Å; N120-A123 PolarHBondContact O-N 3.05Å; N120-A123 VanDerWaalsContact O-N 3.09Å; L121-A123 VanDerWaalsContact C-N 3.32Å; L121-A123 PolarHBondContact O-N 3.31Å; A123-V125 VanDerWaalsContact C-N 3.29Å; A123-V125 PolarHBondContact O-N 2.87Å; A123-G126 PolarHBondContact O-N 3.15Å; A123-P190 HydrophobicContact CB-CB 3.87Å; A123-P190 HydrophobicContact CB-CG 3.89Å
124	E	98.4	Very high	98.5	Very high	128 Å²	128	22 Å²	22	60%	0.598	13%	0.126	S	C	*	.	H	α-helix	trans	-62.7	-34.5	177.2	-70.2	176.1	-158.6	0	0	112.9	R77 N120 L121 A122	R77-E124 IonicContact CZ-OE2 3.58Å; R77-E124 IonicContact NH2-OE2 3.35Å; R77-E124 PolarHBondContact NH2-OE2 2.86Å; N120-E124 WeakPolarHBondContact O-CG 3.38Å; N120-E124 PolarHBondContact O-N 2.76Å; L121-E124 PolarHBondContact O-N 3.08Å; A122-E124 PolarHBondContact O-N 3Å
125	V	98.4	Very high	98.4	Very high	22 Å²	22	20.5 Å²	20.5	13%	0.133	12%	0.118	C	C	.	.	H	α-helix	trans	-76.8	-13.7	174.7	173.8	0	0	0	0	111.9	L80 M81 K84 L121 A122 A123 L127	L80-V125 HydrophobicContact CB-CG1 4.38Å; L80-V125 HydrophobicContact CB-CG2 4.22Å; M81-V125 HydrophobicContact CG-CG1 4.46Å; M81-V125 HydrophobicContact CG-CG2 4.3Å; K84-V125 HydrophobicContact CB-CG1 3.75Å; K84-V125 HydrophobicContact CG-CG1 4.2Å; L121-V125 HydrophobicContact CD1-CG2 4.49Å; L121-V125 WeakPolarHBondContact O-CG2 3.46Å; L121-V125 PolarHBondContact O-N 3.16Å; A122-V125 PolarHBondContact O-N 3.01Å; A123-V125 VanDerWaalsContact C-N 3.29Å; A123-V125 PolarHBondContact O-N 2.87Å; V125-L127 HydrophobicContact CB-CD1 4.49Å; V125-L127 HydrophobicContact CG1-CD1 4.03Å; V125-L127 HydrophobicContact CG1-CG 4.23Å
126	G	97.5	Very high	98.4	Very high	31 Å²	31	20.4 Å²	20.4	32%	0.32	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.1	39.1	-178.7	0	0	0	0	0	113	K84 A122 A123	K84-G126 PolarHBondContact NZ-O 3.08Å; A122-G126 PolarHBondContact O-N 2.97Å; A122-G126 VanDerWaalsContact O-N 3.12Å; A123-G126 PolarHBondContact O-N 3.15Å
127	L	98.6	Very high	98.4	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	10%	0.104	C	C	.	.			trans	-109.6	139	172.6	-65.2	165.6	0	0	0	110.1	L80 M83 K84 I88 A122 V125	L80-L127 HydrophobicContact CB-CD1 4.1Å; L80-L127 HydrophobicContact CD2-CD1 4.07Å; M83-L127 HydrophobicContact CG-CD1 4.32Å; M83-L127 HydrophobicContact CG-CD2 4.34Å; M83-L127 HydrophobicContact SD-CD1 3.75Å; M83-L127 HydrophobicContact SD-CD2 4.21Å; K84-L127 HydrophobicContact CB-CD2 4.28Å; K84-L127 HydrophobicContact CD-CD2 3.91Å; K84-L127 HydrophobicContact CD-CG 4.41Å; I88-L127 HydrophobicContact CG2-CD2 4.49Å; I88-L127 VanDerWaalsContact O-CD2 3.29Å; I88-L127 WeakPolarHBondContact O-CD2 3.2Å; A122-L127 HydrophobicContact CB-CB 4.29Å; A122-L127 PolarHBondContact O-N 2.84Å; V125-L127 HydrophobicContact CB-CD1 4.49Å; V125-L127 HydrophobicContact CG1-CD1 4.03Å; V125-L127 HydrophobicContact CG1-CG 4.23Å
128	W	98.8	Very high	98.4	Very high	32 Å²	32	16.7 Å²	16.7	12%	0.121	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	167.3	162.8	-61.3	112.2	0	0	0	110.7	M39 L54 F59 N89 T90 L91 F185 I192	M39-W128 HydrophobicContact CB-CH2 3.76Å; M39-W128 HydrophobicContact CB-CZ2 4.23Å; M39-W128 HydrophobicContact CE-CE3 4.3Å; M39-W128 HydrophobicContact CE-CH2 3.57Å; M39-W128 HydrophobicContact CE-CZ2 4.4Å; M39-W128 HydrophobicContact CE-CZ3 3.5Å; M39-W128 VanDerWaalsContact CE-CZ3 3.5Å; M39-W128 HydrophobicContact CG-CH2 3.92Å; M39-W128 HydrophobicContact CG-CZ2 4.11Å; M39-W128 HydrophobicContact SD-CD2 4.42Å; M39-W128 HydrophobicContact SD-CE3 4.19Å; M39-W128 HydrophobicContact SD-CH2 3.12Å; M39-W128 WeakPolarHBondContact SD-CH2 3.43Å; M39-W128 HydrophobicContact SD-CZ2 3.37Å; M39-W128 WeakPolarHBondContact SD-CZ2 3.37Å; M39-W128 HydrophobicContact SD-CZ3 3.57Å; M39-W128 VanDerWaalsContact SD-CZ3 3.57Å; L54-W128 HydrophobicContact CD2-CD2 4.08Å; L54-W128 VanDerWaalsContact CD2-CE2 3.49Å; L54-W128 HydrophobicContact CD2-CG 4.47Å; L54-W128 HydrophobicContact CD2-CH2 4.38Å; L54-W128 HydrophobicContact CD2-CZ2 3.66Å; F59-W128 AromaticContact CE2-NE1 3.97Å; F59-W128 AromaticContact CZ-CD1 3.53Å; F59-W128 HydrophobicContact CZ-CG 4.46Å; F59-W128 AromaticContact CZ-NE1 3.91Å; N89-W128 PolarHBondContact O-N 3.24Å; T90-W128 CarbonylContact C-O 3.57Å; T90-W128 WeakPolarHBondContact CA-O 3.37Å; T90-W128 HydrophobicContact CG2-CB 4.14Å; L91-W128 PolarHBondContact N-O 3.22Å; W128-F185 HydrophobicContact CE3-CD2 4.28Å; W128-F185 AromaticContact CH2-CD2 3.92Å; W128-F185 HydrophobicContact CH2-CD2 3.92Å; W128-F185 AromaticContact CH2-CE2 3.48Å; W128-F185 HydrophobicContact CH2-CE2 3.48Å; W128-F185 VanDerWaalsContact CH2-CE2 3.48Å; W128-F185 HydrophobicContact CZ2-CE2 4.46Å; W128-F185 AromaticContact CZ3-CD2 3.49Å; W128-F185 HydrophobicContact CZ3-CD2 3.49Å; W128-F185 VanDerWaalsContact CZ3-CD2 3.49Å; W128-F185 AromaticContact CZ3-CE2 3.58Å; W128-F185 HydrophobicContact CZ3-CE2 3.58Å; W128-I192 HydrophobicContact CB-CD1 3.66Å; W128-I192 HydrophobicContact CB-CG1 4.04Å; W128-I192 HydrophobicContact CB-CG2 4.26Å; W128-I192 HydrophobicContact CD2-CG2 3.9Å; W128-I192 HydrophobicContact CE3-CG2 3.5Å; W128-I192 HydrophobicContact CG-CD1 4.09Å; W128-I192 HydrophobicContact CG-CG2 4.24Å; W128-I192 HydrophobicContact CZ3-CG2 4.11Å
129	V	98.9	Very high	98.3	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.1	179.8	178.6	0	0	0	0	111.7	L91 I119 A122 L131 P190 I191 I192	L91-V129 HydrophobicContact CB-CG2 4.38Å; L91-V129 HydrophobicContact CD2-CG2 4.36Å; L91-V129 CarbonylContact O-C 3.51Å; L91-V129 VanDerWaalsContact O-CA 3.29Å; L91-V129 WeakPolarHBondContact O-CA 3.35Å; I119-V129 HydrophobicContact CG2-CG2 4.32Å; A122-V129 HydrophobicContact CB-CG2 3.85Å; V129-L131 HydrophobicContact CG1-CB 4.5Å; V129-P190 HydrophobicContact CG2-CB 4.12Å; V129-P190 HydrophobicContact CG2-CG 3.98Å; V129-P190 PolarHBondContact N-O 2.96Å; V129-I191 HydrophobicContact CB-CG1 4.15Å; V129-I191 HydrophobicContact CG1-CG1 4.15Å; V129-I191 CarbonylContact O-C 3.54Å; V129-I191 WeakPolarHBondContact O-CA 3.39Å; V129-I192 WeakPolarHBondContact O-CG1 3.29Å; V129-I192 PolarHBondContact O-N 3.32Å
130	I	98.9	Very high	98.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	111.7	159.4	-62.7	176.7	0	0	0	107.1	I61 T90 L91 T92 T93 I192 A193 L227 M270 M272	I61-I130 HydrophobicContact CD1-CD1 4.26Å; I61-I130 HydrophobicContact CG2-CD1 4.13Å; T90-I130 HydrophobicContact CG2-CD1 3.96Å; T90-I130 HydrophobicContact CG2-CG1 3.7Å; L91-I130 PolarHBondContact O-N 2.86Å; T92-I130 WeakPolarHBondContact CA-O 3.39Å; T92-I130 HydrophobicContact CG2-CB 4.4Å; T92-I130 HydrophobicContact CG2-CG2 4.41Å; T93-I130 PolarHBondContact N-O 2.67Å; I130-I192 HydrophobicContact CG1-CG1 4.46Å; I130-A193 WeakPolarHBondContact CA-O 3.37Å; I130-A193 HydrophobicContact CG1-CB 4.15Å; I130-A193 HydrophobicContact CG2-CB 4.43Å; I130-L227 HydrophobicContact CG2-CD2 4.19Å; I130-M270 HydrophobicContact CD1-CE 3.8Å; I130-M270 HydrophobicContact CD1-SD 4.46Å; I130-M272 HydrophobicContact CD1-CE 4.1Å; I130-M272 HydrophobicContact CG2-CE 4.03Å; I130-M272 HydrophobicContact CG2-SD 4.47Å
131	L	98.9	Very high	98.2	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	132.1	-179.4	-175.8	65.8	0	0	0	109.9	T93 V95 L115 I119 V129 P133 V180 I191 A193 V194 Q195	T93-L131 HydrophobicContact CG2-CD1 4.22Å; V95-L131 HydrophobicContact CG2-CD1 3.8Å; L115-L131 HydrophobicContact CD1-CD1 4.44Å; I119-L131 HydrophobicContact CD1-CD1 4.17Å; V129-L131 HydrophobicContact CG1-CB 4.5Å; L131-P133 VanDerWaalsContact O-CD 3.29Å; L131-P133 WeakPolarHBondContact O-CD 3.22Å; L131-V180 HydrophobicContact CD2-CB 3.91Å; L131-V180 HydrophobicContact CD2-CG1 3.82Å; L131-V180 HydrophobicContact CD2-CG2 3.93Å; L131-I191 HydrophobicContact CB-CG2 4.16Å; L131-I191 HydrophobicContact CD2-CD1 4.17Å; L131-A193 PolarHBondContact N-O 3.45Å; L131-V194 HydrophobicContact CB-CG2 4.48Å; L131-V194 CarbonylContact O-C 3.48Å; L131-V194 VanDerWaalsContact O-CA 3.28Å; L131-V194 WeakPolarHBondContact O-CA 3.22Å; L131-Q195 PolarHBondContact O-N 3.22Å
132	R	98.8	Very high	98.2	Very high	1 Å²	1	13.3 Å²	13.3	0%	0.004	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	79.9	176.7	-54.8	176.4	71.2	173.4	8.3	108.9	T92 T93 Y94 V95 G134 Q195 N198 S229 E273	T92-R132 HydrophobicContact CG2-CG 3.99Å; T93-R132 PolarHBondContact O-N 2.8Å; Y94-R132 CarbonylContact C-O 3.58Å; Y94-R132 VanDerWaalsContact CA-O 3.28Å; Y94-R132 WeakPolarHBondContact CA-O 3.47Å; Y94-R132 HydrophobicContact CD1-CB 3.28Å; Y94-R132 HydrophobicContact CD1-CG 4.27Å; Y94-R132 HydrophobicContact CE1-CB 3.6Å; Y94-R132 HydrophobicContact CE1-CG 4.28Å; Y94-R132 VanDerWaalsContact CE1-CZ 3.46Å; Y94-R132 HydrophobicContact CG-CB 4.22Å; Y94-R132 PolarHBondContact OH-NH1 2.64Å; Y94-R132 PolarHBondContact OH-NH2 3.31Å; V95-R132 PolarHBondContact N-O 3.26Å; V95-R132 VanDerWaalsContact N-O 3.12Å; R132-G134 PolarHBondContact O-N 2.74Å; R132-G134 VanDerWaalsContact O-N 3.15Å; R132-Q195 HydrophobicContact CB-CB 4.14Å; R132-Q195 HydrophobicContact CG-CB 3.81Å; R132-Q195 VanDerWaalsContact CZ-OE1 3.23Å; R132-Q195 VanDerWaalsContact NE-CD 3.3Å; R132-Q195 VanDerWaalsContact NH2-NE2 3.13Å; R132-N198 PolarHBondContact NH2-OD1 2.72Å; R132-S229 PolarHBondContact NH2-OG 2.85Å; R132-E273 IonicContact CZ-OE1 2.65Å; R132-E273 IonicContact NH1-OE1 2.79Å; R132-E273 PolarHBondContact NH1-OE1 3.38Å; R132-E273 IonicContact NH2-OE1 2.7Å; R132-E273 PolarHBondContact NH2-OE1 3.31Å
133	P	98.2	Very high	98.1	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.078	C	C	.	.			trans	-71.5	-3.9	-167.5	30	-38.2	0	0	0	115.7	L131 L176 V194 Q195 L217	L131-P133 VanDerWaalsContact O-CD 3.29Å; L131-P133 WeakPolarHBondContact O-CD 3.22Å; P133-L176 HydrophobicContact CB-CD2 3.86Å; P133-V194 HydrophobicContact CG-CG1 3.77Å; P133-Q195 VanDerWaalsContact CD-O 3.27Å; P133-Q195 WeakPolarHBondContact CD-O 3.28Å; P133-L217 HydrophobicContact CG-CD1 4.4Å; P133-L217 HydrophobicContact CG-CD2 4.12Å
134	G	95.6	Very high	98.1	Very high	4 Å²	4	11.8 Å²	11.8	4%	0.041	7%	0.065	C	C	.	.			trans	84.9	-148.5	-174	0	0	0	0	0	112.1	R132	R132-G134 PolarHBondContact O-N 2.74Å; R132-G134 VanDerWaalsContact O-N 3.15Å
135	P	97.8	Very high	98.1	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	4%	0.037	C	C	.	.	S	Bend	cis	-79.2	-27.5	23.1	29.8	-36.1	0	0	0	114.2	W97 L146 F165 V169 F173 Y209 I213	W97-P135 HydrophobicContact CE3-CB 3.61Å; W97-P135 HydrophobicContact CZ3-CB 3.77Å; P135-L146 WeakPolarHBondContact O-CD2 3.32Å; P135-F165 HydrophobicContact CG-CZ 4.43Å; P135-V169 HydrophobicContact CB-CG1 4.31Å; P135-V169 HydrophobicContact CB-CG2 3.93Å; P135-V169 HydrophobicContact CG-CG1 4Å; P135-V169 HydrophobicContact CG-CG2 3.71Å; P135-F173 HydrophobicContact CB-CE1 4.42Å; P135-F173 HydrophobicContact CB-CZ 4.41Å; P135-F173 HydrophobicContact CG-CZ 4.49Å; P135-Y209 WeakPolarHBondContact CG-OH 3.49Å; P135-I213 HydrophobicContact CG-CD1 3.94Å
136	Y	98.7	Very high	98.1	Very high	1 Å²	1	4.6 Å²	4.6	0%	0.004	3%	0.031	C	C	.	.			trans	-96.4	134.3	169.6	168.5	-90.2	0	0	0	109.3	C138 L146 R159 N198 H490 Y491 L495	Y136-C138 HydrophobicContact CE1-CB 3.72Å; Y136-L146 HydrophobicContact CD2-CD1 3.91Å; Y136-L146 HydrophobicContact CD2-CG 4.09Å; Y136-R159 HydrophobicContact CD2-CG 4.44Å; Y136-R159 HydrophobicContact CG-CG 4.2Å; Y136-N198 HydrophobicContact CD1-CB 4.31Å; Y136-H490 WeakPolarHBondContact CE2-O 3.39Å; Y136-H490 PolarHBondContact OH-O 2.82Å; Y136-Y491 WeakPolarHBondContact OH-CA 3.35Å; Y136-L495 HydrophobicContact CD2-CD1 4.27Å; Y136-L495 HydrophobicContact CE2-CD1 3.8Å; Y136-L495 HydrophobicContact CE2-CD2 4.33Å
137	I	98.5	Very high	98.2	Very high	0 Å²	0	3.2 Å²	3.2	0%	0	2%	0.016	C	C	.	.			trans	-123.3	-3	-175.4	60.2	167.1	0	0	0	113.5	F69 Y94 P96 S139 L141 G144	F69-I137 HydrophobicContact CZ-CD1 4.36Å; Y94-I137 HydrophobicContact CD1-CB 3.53Å; Y94-I137 HydrophobicContact CD1-CG2 3.49Å; Y94-I137 VanDerWaalsContact CD1-CG2 3.49Å; Y94-I137 HydrophobicContact CD2-CB 4.34Å; Y94-I137 HydrophobicContact CE1-CB 3.92Å; Y94-I137 HydrophobicContact CE1-CG2 4.13Å; Y94-I137 HydrophobicContact CG-CB 3.77Å; Y94-I137 HydrophobicContact CG-CD1 4.23Å; Y94-I137 HydrophobicContact CG-CG2 4Å; Y94-I137 PolarHBondContact OH-O 2.93Å; P96-I137 HydrophobicContact CB-CD1 3.96Å; I137-S139 PolarHBondContact O-N 3.18Å; I137-L141 HydrophobicContact CD1-CD1 3.77Å; I137-G144 WeakPolarHBondContact CG1-O 3.44Å; I137-G144 PolarHBondContact N-O 3.31Å
138	C	97.1	Very high	98.1	Very high	8 Å²	8	3.2 Å²	3.2	5%	0.054	2%	0.016	C	C	.	.			trans	53.9	-103.3	-171.2	-173.8	0	0	0	0	109.4	Y136 E140 L141 G144 N198 H490	Y136-C138 HydrophobicContact CE1-CB 3.72Å; C138-E140 PolarHBondContact O-N 3.23Å; C138-E140 VanDerWaalsContact O-N 3.12Å; C138-L141 PolarHBondContact O-N 3.44Å; C138-G144 PolarHBondContact N-O 2.9Å; C138-G144 VanDerWaalsContact N-O 3.16Å; C138-G144 CarbonylContact O-C 3.4Å; C138-G144 WeakPolarHBondContact O-CA 3.35Å; C138-N198 VanDerWaalsContact CB-ND2 3.31Å; C138-N198 WeakPolarHBondContact CB-ND2 3.38Å; C138-H490 VanDerWaalsContact SG-CD2 3.54Å
139	S	96.9	Very high	98.1	Very high	1 Å²	1	2.5 Å²	2.5	1%	0.007	1%	0.013	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	28.3	172.6	-160.1	0	0	0	0	112.4	R70 I137 L141 Y311	R70-S139 PolarHBondContact NH1-O 2.77Å; R70-S139 PolarHBondContact NH1-OG 3.41Å; R70-S139 PolarHBondContact NH2-O 3.38Å; I137-S139 PolarHBondContact O-N 3.18Å; S139-L141 PolarHBondContact O-N 2.83Å; S139-Y311 WeakPolarHBondContact CA-OH 3.41Å; S139-Y311 PolarHBondContact OG-OH 2.77Å
140	E	97.8	Very high	98.1	Very high	13 Å²	13	2.7 Å²	2.7	6%	0.061	1%	0.014	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	23.3	179.5	-71.2	72.7	-94.3	0	0	114.3	C138 F279 G324 L334 Y338 H490	C138-E140 PolarHBondContact O-N 3.23Å; C138-E140 VanDerWaalsContact O-N 3.12Å; E140-F279 HydrophobicContact CG-CB 4.17Å; E140-F279 HydrophobicContact CG-CD1 3.34Å; E140-F279 HydrophobicContact CG-CD2 3.97Å; E140-F279 HydrophobicContact CG-CE1 3.57Å; E140-F279 HydrophobicContact CG-CE2 4.19Å; E140-F279 HydrophobicContact CG-CG 3.55Å; E140-F279 HydrophobicContact CG-CZ 3.99Å; E140-G324 PolarHBondContact O-N 3.2Å; E140-L334 HydrophobicContact CB-CD1 3.45Å; E140-L334 VanDerWaalsContact CB-CD1 3.45Å; E140-L334 HydrophobicContact CG-CD1 3.61Å; E140-Y338 HydrophobicContact CB-CE2 3.62Å; E140-Y338 HydrophobicContact CG-CE2 4.05Å; E140-Y338 PolarHBondContact OE2-OH 2.81Å; E140-H490 IonicContact OE1-CD2 3.84Å; E140-H490 IonicContact OE1-NE2 2.79Å; E140-H490 PolarHBondContact OE1-NE2 2.8Å
141	L	98.1	Very high	98	Very high	3 Å²	3	2.7 Å²	2.7	2%	0.016	1%	0.014	C	C	.	.	B	Isolated β-bridge	trans	-90.6	155.6	176.1	-69.5	179	0	0	0	111.4	F69 P96 I137 C138 S139 L143 G144 M322 H490	F69-L141 HydrophobicContact CD2-CD1 4.4Å; F69-L141 HydrophobicContact CE2-CD1 3.69Å; F69-L141 HydrophobicContact CE2-CD2 4.24Å; F69-L141 HydrophobicContact CE2-CG 4.36Å; F69-L141 HydrophobicContact CZ-CD1 4.05Å; P96-L141 HydrophobicContact CB-CD1 4.01Å; I137-L141 HydrophobicContact CD1-CD1 3.77Å; C138-L141 PolarHBondContact O-N 3.44Å; S139-L141 PolarHBondContact O-N 2.83Å; L141-L143 PolarHBondContact O-N 2.64Å; L141-L143 VanDerWaalsContact O-N 3.15Å; L141-G144 WeakPolarHBondContact O-CA 3.25Å; L141-G144 PolarHBondContact O-N 3.27Å; L141-M322 CarbonylContact C-O 3.56Å; L141-M322 VanDerWaalsContact CA-O 3.31Å; L141-M322 WeakPolarHBondContact CA-O 3.29Å; L141-M322 HydrophobicContact CD2-CB 4.1Å; L141-M322 HydrophobicContact CD2-CG 3.95Å; L141-M322 WeakPolarHBondContact CD2-O 3.45Å; L141-M322 HydrophobicContact CD2-SD 4.08Å; L141-H490 WeakPolarHBondContact O-CB 3.43Å
142	D	98.4	Very high	97.9	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.005	3%	0.028	C	C	.	.	G	3₁₀ helix	trans	-47.1	122.9	170.8	-171.8	-88.1	0	0	0	110.5	G144 G145 M322 Y424 R488	D142-G144 PolarHBondContact O-N 2.79Å; D142-G144 VanDerWaalsContact O-N 3.08Å; D142-G145 PolarHBondContact O-N 3.15Å; D142-M322 PolarHBondContact N-O 2.91Å; D142-Y424 HydrophobicContact CB-CE1 3.94Å; D142-R488 WeakPolarHBondContact OD1-CD 3.12Å; D142-R488 IonicContact OD1-CZ 3.22Å; D142-R488 IonicContact OD1-NH1 3.72Å; D142-R488 PolarHBondContact OD1-NH1 2.8Å; D142-R488 WeakPolarHBondContact OD2-CB 3.19Å; D142-R488 WeakPolarHBondContact OD2-CG 3.37Å; D142-R488 PolarHBondContact OD2-N 2.94Å; D142-R488 IonicContact OD2-NH1 3.31Å
143	L	98.4	Very high	97.7	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	55.1	25.6	-178.2	-156.8	63.1	0	0	0	114.2	L141 G145 L146 L151 L158 R488 V489 L495 Q498	L141-L143 PolarHBondContact O-N 2.64Å; L141-L143 VanDerWaalsContact O-N 3.15Å; L143-G145 VanDerWaalsContact C-N 3.25Å; L143-G145 PolarHBondContact O-N 3.14Å; L143-L146 HydrophobicContact CB-CB 4.47Å; L143-L146 HydrophobicContact CD2-CB 4.12Å; L143-L146 HydrophobicContact CG-CB 4.1Å; L143-L146 WeakPolarHBondContact O-CB 3.46Å; L143-L146 PolarHBondContact O-N 3.48Å; L143-L151 HydrophobicContact CD1-CD1 4.14Å; L143-L151 HydrophobicContact CD2-CD1 3.89Å; L143-L151 HydrophobicContact CD2-CG 4.09Å; L143-L158 HydrophobicContact CD1-CD1 4.15Å; L143-L158 HydrophobicContact CD2-CD1 4.25Å; L143-L158 HydrophobicContact CG-CD1 4.28Å; L143-R488 HydrophobicContact CB-CB 3.95Å; L143-R488 HydrophobicContact CD1-CB 4.12Å; L143-V489 WeakPolarHBondContact CA-O 3.17Å; L143-L495 HydrophobicContact CD1-CB 4.38Å; L143-L495 HydrophobicContact CD1-CD2 4.09Å; L143-Q498 HydrophobicContact CD1-CB 3.78Å; L143-Q498 HydrophobicContact CD1-CG 4.04Å
144	G	98.1	Very high	97.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	66.5	27.6	-178.9	0	0	0	0	0	113.5	I137 C138 L141 D142 L146 H490	I137-G144 WeakPolarHBondContact CG1-O 3.44Å; I137-G144 PolarHBondContact N-O 3.31Å; C138-G144 PolarHBondContact N-O 2.9Å; C138-G144 VanDerWaalsContact N-O 3.16Å; C138-G144 CarbonylContact O-C 3.4Å; C138-G144 WeakPolarHBondContact O-CA 3.35Å; L141-G144 WeakPolarHBondContact O-CA 3.25Å; L141-G144 PolarHBondContact O-N 3.27Å; D142-G144 PolarHBondContact O-N 2.79Å; D142-G144 VanDerWaalsContact O-N 3.08Å; G144-L146 VanDerWaalsContact C-N 3.34Å; G144-H490 WeakPolarHBondContact CA-O 3.46Å
145	G	98.3	Very high	97.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.099	C	C	.	.	G	3₁₀ helix	trans	82.3	6.4	-177	0	0	0	0	0	114.4	W97 S98 D142 L143	W97-G145 CarbonylContact C-O 3.51Å; W97-G145 WeakPolarHBondContact CB-O 3.2Å; W97-G145 PolarHBondContact N-O 3.04Å; S98-G145 PolarHBondContact N-O 3.36Å; S98-G145 PolarHBondContact OG-O 3.06Å; D142-G145 PolarHBondContact O-N 3.15Å; L143-G145 VanDerWaalsContact C-N 3.25Å; L143-G145 PolarHBondContact O-N 3.14Å
146	L	98.8	Very high	97.4	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.101	C	C	.	.			trans	-82.2	142	172.4	-61.6	174.8	0	0	0	110.6	W97 P135 Y136 L143 G144 L150 L158 R159 F165	W97-L146 HydrophobicContact CE3-CD2 3.51Å; W97-L146 HydrophobicContact CZ3-CD2 3.81Å; P135-L146 WeakPolarHBondContact O-CD2 3.32Å; Y136-L146 HydrophobicContact CD2-CD1 3.91Å; Y136-L146 HydrophobicContact CD2-CG 4.09Å; L143-L146 HydrophobicContact CB-CB 4.47Å; L143-L146 HydrophobicContact CD2-CB 4.12Å; L143-L146 HydrophobicContact CG-CB 4.1Å; L143-L146 WeakPolarHBondContact O-CB 3.46Å; L143-L146 PolarHBondContact O-N 3.48Å; G144-L146 VanDerWaalsContact C-N 3.34Å; L146-L150 HydrophobicContact CB-CD1 4.13Å; L146-L158 HydrophobicContact CD1-CB 4.15Å; L146-L158 HydrophobicContact CD1-CD1 4.07Å; L146-L158 HydrophobicContact CD1-CD2 4.19Å; L146-L158 HydrophobicContact CD1-CG 4.37Å; L146-R159 HydrophobicContact CD1-CG 4.46Å; L146-F165 HydrophobicContact CD1-CE2 4.33Å; L146-F165 HydrophobicContact CD2-CE2 4.2Å; L146-F165 HydrophobicContact CD2-CZ 4.23Å
147	P	98.2	Very high	97.4	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.013	13%	0.13	C	C	.	.			trans	-70.3	138.7	177.8	23.7	-30.1	0	0	0	112.6	W97 W149 L150	W97-P147 VanDerWaalsContact CD2-CD 3.44Å; W97-P147 HydrophobicContact CD2-CG 3.91Å; W97-P147 HydrophobicContact CG-CG 4.14Å; W97-P147 HydrophobicContact CZ2-CG 4.19Å; P147-W149 VanDerWaalsContact C-N 3.25Å; P147-W149 HydrophobicContact CB-CD2 4.25Å; P147-W149 HydrophobicContact CB-CG 4.21Å; P147-W149 HydrophobicContact CB-CZ2 4.11Å; P147-W149 HydrophobicContact CG-CD2 4.32Å; P147-W149 HydrophobicContact CG-CH2 4.32Å; P147-W149 HydrophobicContact CG-CZ2 3.49Å; P147-W149 VanDerWaalsContact CG-CZ2 3.49Å; P147-W149 PolarHBondContact O-N 3.31Å; P147-L150 HydrophobicContact CG-CD1 3.82Å; P147-L150 HydrophobicContact CG-CG 4.06Å; P147-L150 WeakPolarHBondContact O-CB 3.39Å; P147-L150 WeakPolarHBondContact O-CD1 3.39Å; P147-L150 WeakPolarHBondContact O-CG 3.47Å; P147-L150 PolarHBondContact O-N 2.96Å
148	S	97.6	Very high	97.4	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-64.5	-26.2	-177.4	69	0	0	0	0	114.1	L150 L151 S423	S148-L150 PolarHBondContact O-N 3.2Å; S148-L150 VanDerWaalsContact O-N 3.08Å; S148-L151 WeakPolarHBondContact O-CB 3.29Å; S148-L151 PolarHBondContact O-N 2.75Å; S148-S423 VanDerWaalsContact OG-CA 3.32Å; S148-S423 WeakPolarHBondContact OG-CA 3.3Å; S148-S423 VanDerWaalsContact OG-CB 3.32Å; S148-S423 WeakPolarHBondContact OG-CB 3.4Å; S148-S423 PolarHBondContact OG-OG 2.84Å
149	W	97.9	Very high	97.4	Very high	16 Å²	16	27.5 Å²	27.5	6%	0.061	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-62.4	-16.4	179.2	58.8	-108.4	0	0	0	112.6	W97 Q101 R104 P147 L151 R152 A168 N420	W97-W149 AromaticContact CZ2-CH2 3.98Å; W97-W149 HydrophobicContact CZ2-CH2 3.98Å; W97-W149 HydrophobicContact CZ2-CZ2 4.12Å; Q101-W149 HydrophobicContact CG-CZ2 4.23Å; Q101-W149 PolarHBondContact O-NE1 2.92Å; R104-W149 HydrophobicContact CB-CD2 4.16Å; R104-W149 HydrophobicContact CB-CE3 4.28Å; R104-W149 HydrophobicContact CG-CE3 4.32Å; R104-W149 HydrophobicContact CG-CH2 4.4Å; R104-W149 HydrophobicContact CG-CZ3 4.19Å; P147-W149 VanDerWaalsContact C-N 3.25Å; P147-W149 HydrophobicContact CB-CD2 4.25Å; P147-W149 HydrophobicContact CB-CG 4.21Å; P147-W149 HydrophobicContact CB-CZ2 4.11Å; P147-W149 HydrophobicContact CG-CD2 4.32Å; P147-W149 HydrophobicContact CG-CH2 4.32Å; P147-W149 HydrophobicContact CG-CZ2 3.49Å; P147-W149 VanDerWaalsContact CG-CZ2 3.49Å; P147-W149 PolarHBondContact O-N 3.31Å; W149-L151 PolarHBondContact O-N 2.89Å; W149-R152 WeakPolarHBondContact O-CB 3.29Å; W149-R152 WeakPolarHBondContact O-CG 3.47Å; W149-R152 PolarHBondContact O-N 2.97Å; W149-A168 HydrophobicContact CH2-CB 3.85Å; W149-A168 HydrophobicContact CZ3-CB 4.1Å; W149-N420 HydrophobicContact CB-CB 4.44Å
150	L	98.3	Very high	97.4	Very high	4 Å²	4	28 Å²	28	2%	0.021	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-60.9	-34.3	169.5	-69.4	166.9	0	0	0	112.1	W97 L146 P147 S148 R152 D153 M156 L158 F165 A168	W97-L150 HydrophobicContact CH2-CD1 4.04Å; W97-L150 HydrophobicContact CH2-CD2 4.21Å; W97-L150 HydrophobicContact CZ3-CD1 4.03Å; L146-L150 HydrophobicContact CB-CD1 4.13Å; P147-L150 HydrophobicContact CG-CD1 3.82Å; P147-L150 HydrophobicContact CG-CG 4.06Å; P147-L150 WeakPolarHBondContact O-CB 3.39Å; P147-L150 WeakPolarHBondContact O-CD1 3.39Å; P147-L150 WeakPolarHBondContact O-CG 3.47Å; P147-L150 PolarHBondContact O-N 2.96Å; S148-L150 PolarHBondContact O-N 3.2Å; S148-L150 VanDerWaalsContact O-N 3.08Å; L150-R152 PolarHBondContact O-N 2.94Å; L150-D153 PolarHBondContact O-N 3.39Å; L150-M156 HydrophobicContact CD2-CE 4.48Å; L150-M156 WeakPolarHBondContact O-CE 3.38Å; L150-L158 HydrophobicContact CB-CD2 3.88Å; L150-L158 HydrophobicContact CD1-CD2 3.83Å; L150-L158 HydrophobicContact CG-CD2 4.41Å; L150-F165 HydrophobicContact CD1-CD2 4.25Å; L150-F165 HydrophobicContact CD1-CE2 4.01Å; L150-F165 HydrophobicContact CD2-CD2 4.29Å; L150-A168 HydrophobicContact CD2-CB 3.58Å
151	L	98.1	Very high	97.5	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-76.3	-1.8	-178.1	-60.7	178.3	0	0	0	113.1	L143 S148 W149 D153 L158 E412 Q498 R499	L143-L151 HydrophobicContact CD1-CD1 4.14Å; L143-L151 HydrophobicContact CD2-CD1 3.89Å; L143-L151 HydrophobicContact CD2-CG 4.09Å; S148-L151 WeakPolarHBondContact O-CB 3.29Å; S148-L151 PolarHBondContact O-N 2.75Å; W149-L151 PolarHBondContact O-N 2.89Å; L151-D153 PolarHBondContact O-N 3.31Å; L151-L158 HydrophobicContact CD2-CD1 3.83Å; L151-L158 HydrophobicContact CD2-CG 4.42Å; L151-E412 HydrophobicContact CB-CB 4.49Å; L151-E412 HydrophobicContact CB-CG 4.13Å; L151-Q498 HydrophobicContact CD1-CB 4.12Å; L151-Q498 WeakPolarHBondContact CD1-O 3.34Å; L151-R499 HydrophobicContact CB-CG 4.06Å; L151-R499 VanDerWaalsContact O-CZ 3.24Å; L151-R499 PolarHBondContact O-NE 3.21Å; L151-R499 PolarHBondContact O-NH2 3.35Å
152	R	96.1	Very high	97.5	Very high	78 Å²	78	31.4 Å²	31.4	29%	0.294	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-62.1	-34.8	171.6	-72.1	-174.2	65.3	94.3	-0.9	112.9	W149 L150 E154 E412 N413 L414 G419	W149-R152 WeakPolarHBondContact O-CB 3.29Å; W149-R152 WeakPolarHBondContact O-CG 3.47Å; W149-R152 PolarHBondContact O-N 2.97Å; L150-R152 PolarHBondContact O-N 2.94Å; R152-E154 PolarHBondContact O-N 3.45Å; R152-E412 WeakPolarHBondContact CD-O 3.33Å; R152-E412 HydrophobicContact CG-CB 4.3Å; R152-E412 WeakPolarHBondContact CG-O 3.44Å; R152-E412 PolarHBondContact NH1-O 2.93Å; R152-N413 VanDerWaalsContact CA-OD1 3.28Å; R152-N413 WeakPolarHBondContact CA-OD1 3.33Å; R152-N413 PolarHBondContact O-OD1 3.35Å; R152-L414 PolarHBondContact NH1-O 2.83Å; R152-G419 PolarHBondContact NE-O 2.83Å; R152-G419 VanDerWaalsContact NE-O 3.15Å; R152-G419 PolarHBondContact NH1-O 2.82Å; R152-G419 PolarHBondContact NH2-O 3.46Å
153	D	95.4	Very high	97.5	Very high	55 Å²	55	35.9 Å²	35.9	29%	0.294	18%	0.18	S	C	.	.	S	Bend	trans	-72.2	111.8	170.7	175.4	-1.7	0	0	0	108.5	L150 L151 S155 M156 H162 R499	L150-D153 PolarHBondContact O-N 3.39Å; L151-D153 PolarHBondContact O-N 3.31Å; D153-S155 PolarHBondContact O-N 2.87Å; D153-S155 WeakPolarHBondContact OD1-CA 3.47Å; D153-S155 WeakPolarHBondContact OD1-CB 3.14Å; D153-S155 PolarHBondContact OD1-N 3.45Å; D153-S155 PolarHBondContact OD1-OG 2.96Å; D153-M156 HydrophobicContact CB-CB 4.14Å; D153-M156 HydrophobicContact CB-CE 3.82Å; D153-M156 WeakPolarHBondContact O-CB 3.3Å; D153-M156 PolarHBondContact O-N 3.47Å; D153-M156 VanDerWaalsContact O-N 3.09Å; D153-M156 PolarHBondContact OD1-N 3.05Å; D153-H162 IonicContact OD2-CE1 2.72Å; D153-H162 PolarHBondContact OD2-CE1 3.34Å; D153-R499 PolarHBondContact O-NH2 3.5Å
154	E	92.3	Very high	97.4	Very high	157 Å²	157	37 Å²	37	73%	0.734	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-28.4	179.7	-66.1	-173.7	169.6	0	0	112.8	R152 R499	R152-E154 PolarHBondContact O-N 3.45Å; E154-R499 VanDerWaalsContact CA-NH2 3.3Å; E154-R499 PolarHBondContact O-NH2 3.09Å
155	S	95.7	Very high	97.4	Very high	72 Å²	72	37 Å²	37	50%	0.503	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	2.8	-179.2	72.2	0	0	0	0	114.4	D153 R157	D153-S155 PolarHBondContact O-N 2.87Å; D153-S155 WeakPolarHBondContact OD1-CA 3.47Å; D153-S155 WeakPolarHBondContact OD1-CB 3.14Å; D153-S155 PolarHBondContact OD1-N 3.45Å; D153-S155 PolarHBondContact OD1-OG 2.96Å; S155-R157 PolarHBondContact O-N 2.88Å
156	M	97.2	Very high	97.5	Very high	11 Å²	11	37.7 Å²	37.7	5%	0.054	20%	0.197	C	C	.	.			trans	-51	134.9	-176.5	-175.6	54.2	60.4	0	0	112.3	L150 D153 L158 F165	L150-M156 HydrophobicContact CD2-CE 4.48Å; L150-M156 WeakPolarHBondContact O-CE 3.38Å; D153-M156 HydrophobicContact CB-CB 4.14Å; D153-M156 HydrophobicContact CB-CE 3.82Å; D153-M156 WeakPolarHBondContact O-CB 3.3Å; D153-M156 PolarHBondContact O-N 3.47Å; D153-M156 VanDerWaalsContact O-N 3.09Å; D153-M156 PolarHBondContact OD1-N 3.05Å; M156-L158 HydrophobicContact CG-CD2 3.69Å; M156-L158 HydrophobicContact CG-CG 3.98Å; M156-L158 HydrophobicContact SD-CD2 4.03Å; M156-F165 HydrophobicContact SD-CB 3.77Å; M156-F165 HydrophobicContact SD-CD2 4.23Å; M156-F165 HydrophobicContact SD-CG 4.44Å
157	R	97.5	Very high	97.4	Very high	161 Å²	161	42.7 Å²	42.7	61%	0.608	22%	0.22	S	C	*	.			trans	-125.9	93.3	170.7	-57.2	-178	-179.1	-154.1	-1.7	108.8	S155 T160 H162	S155-R157 PolarHBondContact O-N 2.88Å; R157-T160 HydrophobicContact CB-CG2 4.14Å; R157-T160 WeakPolarHBondContact CB-OG1 3.33Å; R157-T160 PolarHBondContact O-OG1 2.77Å; R157-H162 HydrophobicContact CB-CB 4Å
158	L	98.3	Very high	97.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	147.5	-179.6	-61	173.1	0	0	0	110.1	L143 L146 L150 L151 M156 T160 F165 F203 L495 D496	L143-L158 HydrophobicContact CD1-CD1 4.15Å; L143-L158 HydrophobicContact CD2-CD1 4.25Å; L143-L158 HydrophobicContact CG-CD1 4.28Å; L146-L158 HydrophobicContact CD1-CB 4.15Å; L146-L158 HydrophobicContact CD1-CD1 4.07Å; L146-L158 HydrophobicContact CD1-CD2 4.19Å; L146-L158 HydrophobicContact CD1-CG 4.37Å; L150-L158 HydrophobicContact CB-CD2 3.88Å; L150-L158 HydrophobicContact CD1-CD2 3.83Å; L150-L158 HydrophobicContact CG-CD2 4.41Å; L151-L158 HydrophobicContact CD2-CD1 3.83Å; L151-L158 HydrophobicContact CD2-CG 4.42Å; M156-L158 HydrophobicContact CG-CD2 3.69Å; M156-L158 HydrophobicContact CG-CG 3.98Å; M156-L158 HydrophobicContact SD-CD2 4.03Å; L158-T160 VanDerWaalsContact C-N 3.29Å; L158-T160 PolarHBondContact O-N 2.81Å; L158-F165 HydrophobicContact CB-CE2 4.41Å; L158-F165 HydrophobicContact CD2-CD2 3.62Å; L158-F165 HydrophobicContact CD2-CE2 3.66Å; L158-F203 WeakPolarHBondContact O-CZ 3.36Å; L158-L495 HydrophobicContact CD1-CB 3.87Å; L158-D496 VanDerWaalsContact CB-OD1 3.23Å; L158-D496 WeakPolarHBondContact CB-OD1 3.45Å; L158-D496 VanDerWaalsContact CG-OD1 3.22Å; L158-D496 WeakPolarHBondContact CG-OD1 3.43Å; L158-D496 PolarHBondContact N-OD1 3.41Å
159	R	97.8	Very high	97.5	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.008	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	38.4	178.9	-50.9	175.4	69.6	-165.9	1.6	113.2	Y136 L146 E197 N198 E199 Y200 F203 Y209	Y136-R159 HydrophobicContact CD2-CG 4.44Å; Y136-R159 HydrophobicContact CG-CG 4.2Å; L146-R159 HydrophobicContact CD1-CG 4.46Å; R159-E197 IonicContact CZ-OE1 3.56Å; R159-E197 IonicContact CZ-OE2 3.83Å; R159-E197 IonicContact NE-OE1 2.69Å; R159-E197 PolarHBondContact NE-OE1 3.08Å; R159-E197 IonicContact NE-OE2 3.68Å; R159-E197 IonicContact NH2-OE1 3.77Å; R159-E197 PolarHBondContact NH2-OE1 3.22Å; R159-E197 IonicContact NH2-OE2 3Å; R159-E197 PolarHBondContact NH2-OE2 3.24Å; R159-N198 PolarHBondContact NH2-O 3.24Å; R159-E199 PolarHBondContact NH2-O 3.09Å; R159-Y200 HydrophobicContact CB-CE2 4.28Å; R159-Y200 WeakPolarHBondContact O-CE2 3.42Å; R159-Y200 PolarHBondContact O-OH 3.43Å; R159-F203 HydrophobicContact CB-CD1 4.06Å; R159-F203 HydrophobicContact CB-CE1 3.75Å; R159-F203 HydrophobicContact CB-CZ 4.17Å; R159-F203 WeakPolarHBondContact O-CE1 3.37Å; R159-Y209 HydrophobicContact CB-CE1 4.14Å
160	T	98.2	Very high	97.6	Very high	13 Å²	13	44.1 Å²	44.1	8%	0.08	23%	0.229	C	C	.	.	S	Bend	trans	-137.1	177	173	70.9	0	0	0	0	110	R157 L158 H162 F165 F203 D206 Y209	R157-T160 HydrophobicContact CB-CG2 4.14Å; R157-T160 WeakPolarHBondContact CB-OG1 3.33Å; R157-T160 PolarHBondContact O-OG1 2.77Å; L158-T160 VanDerWaalsContact C-N 3.29Å; L158-T160 PolarHBondContact O-N 2.81Å; T160-H162 PolarHBondContact O-N 3.42Å; T160-H162 VanDerWaalsContact OG1-CB 3.31Å; T160-H162 WeakPolarHBondContact OG1-CB 3.27Å; T160-H162 PolarHBondContact OG1-N 2.8Å; T160-F165 VanDerWaalsContact O-CD1 3.3Å; T160-F165 WeakPolarHBondContact O-CD1 3.39Å; T160-F203 HydrophobicContact CG2-CE1 4.25Å; T160-D206 HydrophobicContact CG2-CB 4.06Å; T160-Y209 VanDerWaalsContact C-CD2 3.47Å; T160-Y209 WeakPolarHBondContact O-CD2 3.38Å
161	T	98.1	Very high	97.6	Very high	50 Å²	50	46.3 Å²	46.3	31%	0.307	24%	0.243	S	C	.	.			trans	-81.3	17.5	171.1	58.2	0	0	0	0	113.6	D206 T208 F212	T161-D206 WeakPolarHBondContact CB-OD2 3.42Å; T161-D206 PolarHBondContact N-OD2 3.5Å; T161-D206 PolarHBondContact OG1-OD2 2.76Å; T161-T208 WeakPolarHBondContact CG2-OG1 3.41Å; T161-T208 PolarHBondContact OG1-OG1 2.75Å; T161-F212 HydrophobicContact CG2-CB 4.18Å
162	H	98.3	Very high	97.6	Very high	36 Å²	36	46.3 Å²	46.3	17%	0.167	24%	0.243	C	C	.	.			trans	-48.3	126.7	170.7	178.9	-99.6	0	0	0	110.6	D153 R157 T160 G164 F165 A166	D153-H162 IonicContact OD2-CE1 2.72Å; D153-H162 PolarHBondContact OD2-CE1 3.34Å; R157-H162 HydrophobicContact CB-CB 4Å; T160-H162 PolarHBondContact O-N 3.42Å; T160-H162 VanDerWaalsContact OG1-CB 3.31Å; T160-H162 WeakPolarHBondContact OG1-CB 3.27Å; T160-H162 PolarHBondContact OG1-N 2.8Å; H162-G164 VanDerWaalsContact C-N 3.29Å; H162-G164 PolarHBondContact ND1-N 2.79Å; H162-G164 PolarHBondContact O-N 3.49Å; H162-G164 VanDerWaalsContact O-N 3.14Å; H162-F165 HydrophobicContact CB-CB 4.27Å; H162-F165 PolarHBondContact O-N 3.2Å; H162-A166 PolarHBondContact O-N 2.83Å
163	P	98.2	Very high	97.7	Very high	96 Å²	96	42.6 Å²	42.6	62%	0.623	23%	0.229	S	C	*	.	H	α-helix	trans	-52.3	-43.9	-170.4	-30.5	35.5	0	0	0	114	F165 A166 E167	P163-F165 VanDerWaalsContact C-N 3.35Å; P163-F165 PolarHBondContact O-N 2.84Å; P163-A166 PolarHBondContact O-N 3.24Å; P163-E167 WeakPolarHBondContact O-CB 3.47Å; P163-E167 PolarHBondContact O-N 3.39Å
164	G	97.8	Very high	97.9	Very high	24 Å²	24	44 Å²	44	25%	0.247	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-34.9	178.1	0	0	0	0	0	113.7	H162 A168	H162-G164 VanDerWaalsContact C-N 3.29Å; H162-G164 PolarHBondContact ND1-N 2.79Å; H162-G164 PolarHBondContact O-N 3.49Å; H162-G164 VanDerWaalsContact O-N 3.14Å; G164-A168 WeakPolarHBondContact O-CB 3.37Å; G164-A168 PolarHBondContact O-N 3.48Å
165	F	98.6	Very high	98.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-75.6	-45.5	176.5	-172.5	-107.5	0	0	0	111	W97 P135 L146 L150 M156 L158 T160 H162 P163 E167 A168 V169 Y209	W97-F165 HydrophobicContact CH2-CE2 4.49Å; W97-F165 AromaticContact CZ3-CE2 3.98Å; W97-F165 HydrophobicContact CZ3-CE2 3.98Å; W97-F165 HydrophobicContact CZ3-CZ 4.28Å; P135-F165 HydrophobicContact CG-CZ 4.43Å; L146-F165 HydrophobicContact CD1-CE2 4.33Å; L146-F165 HydrophobicContact CD2-CE2 4.2Å; L146-F165 HydrophobicContact CD2-CZ 4.23Å; L150-F165 HydrophobicContact CD1-CD2 4.25Å; L150-F165 HydrophobicContact CD1-CE2 4.01Å; L150-F165 HydrophobicContact CD2-CD2 4.29Å; M156-F165 HydrophobicContact SD-CB 3.77Å; M156-F165 HydrophobicContact SD-CD2 4.23Å; M156-F165 HydrophobicContact SD-CG 4.44Å; L158-F165 HydrophobicContact CB-CE2 4.41Å; L158-F165 HydrophobicContact CD2-CD2 3.62Å; L158-F165 HydrophobicContact CD2-CE2 3.66Å; T160-F165 VanDerWaalsContact O-CD1 3.3Å; T160-F165 WeakPolarHBondContact O-CD1 3.39Å; H162-F165 HydrophobicContact CB-CB 4.27Å; H162-F165 PolarHBondContact O-N 3.2Å; P163-F165 VanDerWaalsContact C-N 3.35Å; P163-F165 PolarHBondContact O-N 2.84Å; F165-E167 PolarHBondContact O-N 2.76Å; F165-A168 WeakPolarHBondContact O-CB 3.44Å; F165-A168 PolarHBondContact O-N 2.93Å; F165-V169 HydrophobicContact CD1-CG2 3.94Å; F165-V169 HydrophobicContact CE1-CG2 3.6Å; F165-V169 HydrophobicContact CE2-CG2 4.27Å; F165-V169 HydrophobicContact CG-CG2 4.44Å; F165-V169 HydrophobicContact CZ-CG2 3.78Å; F165-V169 WeakPolarHBondContact O-CG2 3.49Å; F165-V169 PolarHBondContact O-N 3.36Å; F165-Y209 HydrophobicContact CD1-CE2 4.16Å; F165-Y209 AromaticContact CE1-CE2 3.68Å; F165-Y209 HydrophobicContact CE1-CE2 3.68Å; F165-Y209 AromaticContact CE1-CZ 3.93Å
166	A	98.6	Very high	98.3	Very high	14 Å²	14	38.2 Å²	38.2	12%	0.116	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-40.4	179.3	0	0	0	0	0	112.4	H162 P163 V169 N170 F212	H162-A166 PolarHBondContact O-N 2.83Å; P163-A166 PolarHBondContact O-N 3.24Å; A166-V169 PolarHBondContact O-N 3.25Å; A166-N170 WeakPolarHBondContact O-CB 3.43Å; A166-N170 PolarHBondContact O-N 3.4Å; A166-N170 PolarHBondContact O-ND2 3.01Å; A166-F212 HydrophobicContact CB-CE1 4.19Å; A166-F212 HydrophobicContact CB-CE2 4.28Å; A166-F212 HydrophobicContact CB-CZ 3.86Å
167	E	98.5	Very high	98.4	Very high	105 Å²	105	37.8 Å²	37.8	49%	0.491	20%	0.197	S	C	.	.	H	α-helix	trans	-61.6	-44.9	173.4	-175.1	-168.7	138.2	0	0	111.4	R104 P163 F165 N170 T171	R104-E167 IonicContact NH2-OE1 3.14Å; R104-E167 PolarHBondContact NH2-OE1 2.62Å; P163-E167 WeakPolarHBondContact O-CB 3.47Å; P163-E167 PolarHBondContact O-N 3.39Å; F165-E167 PolarHBondContact O-N 2.76Å; E167-N170 PolarHBondContact O-N 2.89Å; E167-T171 WeakPolarHBondContact O-CB 3.5Å; E167-T171 PolarHBondContact O-N 2.89Å; E167-T171 PolarHBondContact O-OG1 3.36Å
168	A	98.6	Very high	98.4	Very high	3 Å²	3	33.5 Å²	33.5	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-44.3	178.4	0	0	0	0	0	112	W97 W149 L150 G164 F165 T171 F172	W97-A168 HydrophobicContact CH2-CB 3.7Å; W97-A168 HydrophobicContact CZ2-CB 3.9Å; W97-A168 WeakPolarHBondContact CZ2-O 3.49Å; W149-A168 HydrophobicContact CH2-CB 3.85Å; W149-A168 HydrophobicContact CZ3-CB 4.1Å; L150-A168 HydrophobicContact CD2-CB 3.58Å; G164-A168 WeakPolarHBondContact O-CB 3.37Å; G164-A168 PolarHBondContact O-N 3.48Å; F165-A168 WeakPolarHBondContact O-CB 3.44Å; F165-A168 PolarHBondContact O-N 2.93Å; A168-T171 WeakPolarHBondContact O-CB 3.33Å; A168-T171 PolarHBondContact O-N 3.18Å; A168-F172 PolarHBondContact O-N 3.06Å
169	V	98.8	Very high	98.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-60.7	-46.3	175.6	170.6	0	0	0	0	111	W97 P135 F165 A166 T171 F172 F173 F212 I213	W97-V169 HydrophobicContact CH2-CG2 3.9Å; W97-V169 HydrophobicContact CZ3-CG2 3.78Å; P135-V169 HydrophobicContact CB-CG1 4.31Å; P135-V169 HydrophobicContact CB-CG2 3.93Å; P135-V169 HydrophobicContact CG-CG1 4Å; P135-V169 HydrophobicContact CG-CG2 3.71Å; F165-V169 HydrophobicContact CD1-CG2 3.94Å; F165-V169 HydrophobicContact CE1-CG2 3.6Å; F165-V169 HydrophobicContact CE2-CG2 4.27Å; F165-V169 HydrophobicContact CG-CG2 4.44Å; F165-V169 HydrophobicContact CZ-CG2 3.78Å; F165-V169 WeakPolarHBondContact O-CG2 3.49Å; F165-V169 PolarHBondContact O-N 3.36Å; A166-V169 PolarHBondContact O-N 3.25Å; V169-T171 VanDerWaalsContact C-N 3.33Å; V169-T171 PolarHBondContact O-N 3.02Å; V169-F172 PolarHBondContact O-N 3.05Å; V169-F173 HydrophobicContact CG1-CD2 4.02Å; V169-F173 HydrophobicContact CG1-CE2 3.99Å; V169-F173 HydrophobicContact CG1-CG 4.47Å; V169-F173 HydrophobicContact CG1-CZ 4.43Å; V169-F173 WeakPolarHBondContact O-CB 3.4Å; V169-F173 PolarHBondContact O-N 3.25Å; V169-F212 HydrophobicContact CB-CE1 4.26Å; V169-F212 HydrophobicContact CB-CZ 4.34Å; V169-F212 HydrophobicContact CG1-CE1 4.01Å; V169-F212 HydrophobicContact CG1-CZ 4.19Å; V169-I213 HydrophobicContact CG1-CD1 3.78Å
170	N	98.7	Very high	98.5	Very high	45 Å²	45	36.2 Å²	36.2	24%	0.241	20%	0.202	C	C	.	.	H	α-helix	trans	-58.1	-46.5	175.7	-82.6	-58.8	0	0	0	111.4	A166 E167 F172 F173 D174 F212 R220	A166-N170 WeakPolarHBondContact O-CB 3.43Å; A166-N170 PolarHBondContact O-N 3.4Å; A166-N170 PolarHBondContact O-ND2 3.01Å; E167-N170 PolarHBondContact O-N 2.89Å; N170-F172 VanDerWaalsContact C-N 3.32Å; N170-F172 PolarHBondContact O-N 3.17Å; N170-F173 PolarHBondContact O-N 3.12Å; N170-D174 WeakPolarHBondContact O-CB 3.35Å; N170-D174 PolarHBondContact O-N 3.13Å; N170-F212 WeakPolarHBondContact ND2-CE2 3.43Å; N170-R220 PolarHBondContact O-NH2 2.98Å; N170-R220 PolarHBondContact OD1-NH1 3.48Å; N170-R220 VanDerWaalsContact OD1-NH1 3.16Å; N170-R220 PolarHBondContact OD1-NH2 3.4Å
171	T	98.6	Very high	98.5	Very high	50 Å²	50	37 Å²	37	31%	0.307	21%	0.207	S	C	.	.	H	α-helix	trans	-60.6	-41.1	178.9	-59.5	0	0	0	0	111.9	F107 E167 A168 V169	F107-T171 HydrophobicContact CZ-CG2 4.18Å; E167-T171 WeakPolarHBondContact O-CB 3.5Å; E167-T171 PolarHBondContact O-N 2.89Å; E167-T171 PolarHBondContact O-OG1 3.36Å; A168-T171 WeakPolarHBondContact O-CB 3.33Å; A168-T171 PolarHBondContact O-N 3.18Å; V169-T171 VanDerWaalsContact C-N 3.33Å; V169-T171 PolarHBondContact O-N 3.02Å
172	F	98.8	Very high	98.5	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-65.3	-48.4	175.5	175.9	-125	0	0	0	111.7	V95 W97 H100 F107 A168 V169 N170 D174 K175 L176	V95-F172 HydrophobicContact CG1-CZ 4.09Å; W97-F172 HydrophobicContact CB-CD1 4.15Å; W97-F172 HydrophobicContact CB-CE1 3.72Å; W97-F172 HydrophobicContact CB-CE2 4.21Å; W97-F172 HydrophobicContact CB-CZ 3.76Å; W97-F172 AromaticContact CD1-CD1 3.84Å; W97-F172 AromaticContact CD1-CD2 3.21Å; W97-F172 AromaticContact CD1-CE2 3.5Å; W97-F172 AromaticContact CD1-CG 3.4Å; W97-F172 AromaticContact CD1-CZ 3.92Å; W97-F172 HydrophobicContact CD2-CB 4.19Å; W97-F172 AromaticContact CD2-CD1 3.83Å; W97-F172 HydrophobicContact CD2-CD1 3.83Å; W97-F172 HydrophobicContact CD2-CD2 4.48Å; W97-F172 HydrophobicContact CD2-CE1 4.33Å; W97-F172 AromaticContact CD2-CG 3.91Å; W97-F172 HydrophobicContact CD2-CG 3.91Å; W97-F172 AromaticContact CE2-CG 3.74Å; W97-F172 HydrophobicContact CE3-CD1 4.38Å; W97-F172 HydrophobicContact CG-CB 4.47Å; W97-F172 AromaticContact CG-CD1 3.69Å; W97-F172 HydrophobicContact CG-CD1 3.69Å; W97-F172 AromaticContact CG-CD2 3.89Å; W97-F172 HydrophobicContact CG-CD2 3.89Å; W97-F172 AromaticContact CG-CE1 3.78Å; W97-F172 HydrophobicContact CG-CE1 3.78Å; W97-F172 AromaticContact CG-CE2 3.99Å; W97-F172 HydrophobicContact CG-CE2 3.99Å; W97-F172 AromaticContact CG-CG 3.75Å; W97-F172 HydrophobicContact CG-CG 3.75Å; W97-F172 AromaticContact CG-CZ 3.93Å; W97-F172 HydrophobicContact CG-CZ 3.93Å; W97-F172 HydrophobicContact CZ2-CB 3.83Å; W97-F172 HydrophobicContact CZ2-CG 4.46Å; W97-F172 AromaticContact NE1-CD2 3.51Å; W97-F172 AromaticContact NE1-CG 3.43Å; H100-F172 HydrophobicContact CB-CE2 3.91Å; F107-F172 HydrophobicContact CE1-CD2 4.16Å; A168-F172 PolarHBondContact O-N 3.06Å; V169-F172 PolarHBondContact O-N 3.05Å; N170-F172 VanDerWaalsContact C-N 3.32Å; N170-F172 PolarHBondContact O-N 3.17Å; F172-D174 VanDerWaalsContact C-N 3.32Å; F172-D174 PolarHBondContact O-N 3.15Å; F172-K175 PolarHBondContact O-N 2.75Å; F172-L176 HydrophobicContact CE1-CD2 3.75Å; F172-L176 HydrophobicContact CE2-CB 4.29Å; F172-L176 HydrophobicContact CE2-CD2 4.49Å; F172-L176 HydrophobicContact CZ-CB 4.3Å; F172-L176 HydrophobicContact CZ-CD2 3.7Å; F172-L176 HydrophobicContact CZ-CG 4.46Å; F172-L176 PolarHBondContact O-N 3.31Å
173	F	98.8	Very high	98.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-67.3	-29.7	179.7	-75.5	-1.8	0	0	0	113.2	P135 V169 N170 K175 L176 I177 I213 A216 L217	P135-F173 HydrophobicContact CB-CE1 4.42Å; P135-F173 HydrophobicContact CB-CZ 4.41Å; P135-F173 HydrophobicContact CG-CZ 4.49Å; V169-F173 HydrophobicContact CG1-CD2 4.02Å; V169-F173 HydrophobicContact CG1-CE2 3.99Å; V169-F173 HydrophobicContact CG1-CG 4.47Å; V169-F173 HydrophobicContact CG1-CZ 4.43Å; V169-F173 WeakPolarHBondContact O-CB 3.4Å; V169-F173 PolarHBondContact O-N 3.25Å; N170-F173 PolarHBondContact O-N 3.12Å; F173-K175 PolarHBondContact O-N 3.25Å; F173-L176 HydrophobicContact CD1-CD2 4.37Å; F173-L176 HydrophobicContact CE1-CD2 4.41Å; F173-L176 PolarHBondContact O-N 3.39Å; F173-I177 HydrophobicContact CB-CG1 3.89Å; F173-I177 HydrophobicContact CD1-CG1 4.46Å; F173-I177 HydrophobicContact CG-CG1 4.14Å; F173-I177 VanDerWaalsContact O-CB 3.31Å; F173-I177 WeakPolarHBondContact O-CB 3.32Å; F173-I177 WeakPolarHBondContact O-CG1 3.43Å; F173-I177 PolarHBondContact O-N 2.8Å; F173-I213 HydrophobicContact CE2-CG2 4.5Å; F173-A216 HydrophobicContact CD2-CB 3.98Å; F173-A216 HydrophobicContact CE2-CB 4.42Å; F173-L217 HydrophobicContact CD2-CD2 3.9Å; F173-L217 HydrophobicContact CD2-CG 4.36Å; F173-L217 HydrophobicContact CE1-CD2 4.49Å; F173-L217 HydrophobicContact CE2-CD2 3.57Å; F173-L217 HydrophobicContact CE2-CG 3.86Å; F173-L217 HydrophobicContact CG-CD2 4.49Å; F173-L217 HydrophobicContact CZ-CD2 3.88Å; F173-L217 HydrophobicContact CZ-CG 4.45Å
174	D	98.7	Very high	98.5	Very high	84 Å²	84	32.6 Å²	32.6	45%	0.449	18%	0.182	S	C	.	.	H	α-helix	trans	-61	-24	171.3	-73.2	-23	0	0	0	112.7	N170 F172 P178 R220	N170-D174 WeakPolarHBondContact O-CB 3.35Å; N170-D174 PolarHBondContact O-N 3.13Å; F172-D174 VanDerWaalsContact C-N 3.32Å; F172-D174 PolarHBondContact O-N 3.15Å; D174-P178 WeakPolarHBondContact O-CG 3.4Å; D174-R220 IonicContact OD1-CZ 3.81Å; D174-R220 IonicContact OD1-NE 2.78Å; D174-R220 PolarHBondContact OD1-NE 3.5Å; D174-R220 IonicContact OD1-NH2 3.71Å; D174-R220 PolarHBondContact OD1-NH2 2.95Å; D174-R220 IonicContact OD2-NH2 3.54Å
175	K	98.6	Very high	98.4	Very high	109 Å²	109	31.9 Å²	31.9	47%	0.474	17%	0.172	S	C	.	.	H	α-helix	trans	-98.1	-41.8	175.5	-61.1	-54.4	-174.2	-178.9	0	113	F107 F109 F172 F173	F107-K175 HydrophobicContact CD1-CB 3.78Å; F107-K175 HydrophobicContact CD1-CG 3.87Å; F107-K175 HydrophobicContact CD2-CG 3.86Å; F107-K175 HydrophobicContact CE1-CB 3.68Å; F107-K175 HydrophobicContact CE1-CG 3.56Å; F107-K175 HydrophobicContact CE2-CD 4.42Å; F107-K175 HydrophobicContact CE2-CG 3.57Å; F107-K175 HydrophobicContact CG-CB 4.23Å; F107-K175 HydrophobicContact CG-CG 3.99Å; F107-K175 HydrophobicContact CZ-CB 4.06Å; F107-K175 HydrophobicContact CZ-CG 3.38Å; F109-K175 HydrophobicContact CE2-CB 4.3Å; F172-K175 PolarHBondContact O-N 2.75Å; F173-K175 PolarHBondContact O-N 3.25Å
176	L	98.6	Very high	98.2	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-72.3	-51.4	-176.8	175.8	65.4	0	0	0	112.2	V95 F109 L115 P133 F172 F173 K179	V95-L176 HydrophobicContact CB-CD2 4.32Å; V95-L176 HydrophobicContact CG1-CD1 3.78Å; V95-L176 HydrophobicContact CG1-CD2 3.85Å; V95-L176 HydrophobicContact CG1-CG 4.48Å; F109-L176 HydrophobicContact CE1-CD1 3.87Å; F109-L176 HydrophobicContact CZ-CB 4.48Å; F109-L176 HydrophobicContact CZ-CD1 4.41Å; L115-L176 HydrophobicContact CD2-CD1 3.67Å; P133-L176 HydrophobicContact CB-CD2 3.86Å; F172-L176 HydrophobicContact CE1-CD2 3.75Å; F172-L176 HydrophobicContact CE2-CB 4.29Å; F172-L176 HydrophobicContact CE2-CD2 4.49Å; F172-L176 HydrophobicContact CZ-CB 4.3Å; F172-L176 HydrophobicContact CZ-CD2 3.7Å; F172-L176 HydrophobicContact CZ-CG 4.46Å; F172-L176 PolarHBondContact O-N 3.31Å; F173-L176 HydrophobicContact CD1-CD2 4.37Å; F173-L176 HydrophobicContact CE1-CD2 4.41Å; F173-L176 PolarHBondContact O-N 3.39Å; L176-K179 WeakPolarHBondContact O-CB 3.18Å; L176-K179 PolarHBondContact O-N 2.67Å; L176-K179 VanDerWaalsContact O-N 3.13Å
177	I	98.6	Very high	98	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	22%	0.221	C	C	.	.	H	α-helix	trans	-64.4	-43.6	-167.4	-58.3	-56.2	0	0	0	112.7	F173 K179 V180 V181 L217 R220 I222	F173-I177 HydrophobicContact CB-CG1 3.89Å; F173-I177 HydrophobicContact CD1-CG1 4.46Å; F173-I177 HydrophobicContact CG-CG1 4.14Å; F173-I177 VanDerWaalsContact O-CB 3.31Å; F173-I177 WeakPolarHBondContact O-CB 3.32Å; F173-I177 WeakPolarHBondContact O-CG1 3.43Å; F173-I177 PolarHBondContact O-N 2.8Å; I177-K179 PolarHBondContact O-N 3.41Å; I177-V180 HydrophobicContact CD1-CG2 4.33Å; I177-V180 VanDerWaalsContact O-CG2 3.29Å; I177-V180 WeakPolarHBondContact O-CG2 3.3Å; I177-V180 PolarHBondContact O-N 3.37Å; I177-V181 HydrophobicContact CG2-CG2 3.8Å; I177-V181 VanDerWaalsContact O-CG2 3.31Å; I177-V181 WeakPolarHBondContact O-CG2 3.33Å; I177-V181 PolarHBondContact O-N 3.15Å; I177-L217 HydrophobicContact CD1-CD2 3.38Å; I177-L217 HydrophobicContact CG1-CD2 4.01Å; I177-R220 HydrophobicContact CB-CB 3.9Å; I177-R220 HydrophobicContact CG1-CB 4.4Å; I177-R220 HydrophobicContact CG2-CB 3.55Å; I177-R220 WeakPolarHBondContact CG2-O 3.23Å; I177-I222 HydrophobicContact CD1-CD1 4.43Å; I177-I222 HydrophobicContact CD1-CG1 4.3Å; I177-I222 HydrophobicContact CG2-CD1 3.84Å; I177-I222 HydrophobicContact CG2-CG1 3.78Å
178	P	98.4	Very high	97.7	Very high	72 Å²	72	39.7 Å²	39.7	47%	0.468	21%	0.207	S	C	.	.	H	α-helix	trans	-56.5	-26.8	176	-28.7	37.8	0	0	0	114.7	D174 P182	D174-P178 WeakPolarHBondContact O-CG 3.4Å; P178-P182 VanDerWaalsContact O-CD 3.26Å; P178-P182 WeakPolarHBondContact O-CD 3.5Å
179	K	98.2	Very high	97.6	Very high	58 Å²	58	40 Å²	40	25%	0.252	21%	0.211	S	C	.	.	H	α-helix	trans	-74.4	-33.6	177.2	-66.6	-179.7	153.1	-74.9	0	113	F109 E116 L176 I177	F109-K179 HydrophobicContact CB-CD 4.16Å; F109-K179 HydrophobicContact CD1-CD 3.69Å; F109-K179 HydrophobicContact CD2-CD 3.78Å; F109-K179 VanDerWaalsContact CD2-CE 3.43Å; F109-K179 HydrophobicContact CE1-CD 3.92Å; F109-K179 HydrophobicContact CE2-CD 3.98Å; F109-K179 HydrophobicContact CG-CD 3.6Å; F109-K179 HydrophobicContact CZ-CD 4.06Å; E116-K179 HydrophobicContact CG-CB 4.02Å; E116-K179 WeakPolarHBondContact OE1-CG 3.31Å; E116-K179 IonicContact OE1-NZ 2.68Å; E116-K179 PolarHBondContact OE1-NZ 2.92Å; L176-K179 WeakPolarHBondContact O-CB 3.18Å; L176-K179 PolarHBondContact O-N 2.67Å; L176-K179 VanDerWaalsContact O-N 3.13Å; I177-K179 PolarHBondContact O-N 3.41Å
180	V	98.1	Very high	97.6	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-94.2	-18.7	-178.4	-59.8	0	0	0	0	113.1	L115 I119 L131 I177 L183 Q184 I191 I222	L115-V180 HydrophobicContact CD2-CG1 3.69Å; L115-V180 HydrophobicContact CG-CG1 4.37Å; I119-V180 HydrophobicContact CD1-CG1 4.29Å; L131-V180 HydrophobicContact CD2-CB 3.91Å; L131-V180 HydrophobicContact CD2-CG1 3.82Å; L131-V180 HydrophobicContact CD2-CG2 3.93Å; I177-V180 HydrophobicContact CD1-CG2 4.33Å; I177-V180 VanDerWaalsContact O-CG2 3.29Å; I177-V180 WeakPolarHBondContact O-CG2 3.3Å; I177-V180 PolarHBondContact O-N 3.37Å; V180-L183 WeakPolarHBondContact O-CA 3.42Å; V180-L183 WeakPolarHBondContact O-CB 3.27Å; V180-L183 PolarHBondContact O-N 3.18Å; V180-Q184 PolarHBondContact O-N 2.81Å; V180-I191 HydrophobicContact CB-CD1 4.13Å; V180-I222 HydrophobicContact CG2-CD1 4.16Å
181	V	98.4	Very high	97.6	Very high	30 Å²	30	38 Å²	38	18%	0.182	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-52.8	-45.3	177.5	161.2	0	0	0	0	113.1	I177 L183 Q184 K187 R220 I222	I177-V181 HydrophobicContact CG2-CG2 3.8Å; I177-V181 VanDerWaalsContact O-CG2 3.31Å; I177-V181 WeakPolarHBondContact O-CG2 3.33Å; I177-V181 PolarHBondContact O-N 3.15Å; V181-L183 PolarHBondContact O-N 3.09Å; V181-Q184 WeakPolarHBondContact O-CB 3.45Å; V181-Q184 WeakPolarHBondContact O-CG 3.21Å; V181-Q184 PolarHBondContact O-N 3.2Å; V181-Q184 PolarHBondContact O-NE2 3.01Å; V181-K187 WeakPolarHBondContact O-CG 3.42Å; V181-R220 WeakPolarHBondContact CG2-O 3.4Å; V181-I222 HydrophobicContact CG2-CD1 4.5Å
182	P	98	Very high	97.6	Very high	76 Å²	76	35.6 Å²	35.6	49%	0.494	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-64.4	-20.2	176.5	-23	34.8	0	0	0	114.1	P178	P178-P182 VanDerWaalsContact O-CD 3.26Å; P178-P182 WeakPolarHBondContact O-CD 3.5Å
183	L	98.4	Very high	97.6	Very high	12 Å²	12	35.6 Å²	35.6	6%	0.063	19%	0.186	C	C	.	.	G	3₁₀ helix	trans	-91.7	-1.6	-175.9	-51.8	176.5	0	0	0	112.8	E116 I119 N120 V180 V181 G189 P190 I191	E116-L183 HydrophobicContact CB-CD1 4.34Å; E116-L183 HydrophobicContact CG-CD1 4.3Å; I119-L183 HydrophobicContact CB-CD1 3.89Å; I119-L183 HydrophobicContact CD1-CD1 4.07Å; I119-L183 HydrophobicContact CG2-CB 3.97Å; I119-L183 HydrophobicContact CG2-CD1 3.76Å; I119-L183 HydrophobicContact CG2-CG 4.36Å; N120-L183 WeakPolarHBondContact OD1-CD2 3.49Å; V180-L183 WeakPolarHBondContact O-CA 3.42Å; V180-L183 WeakPolarHBondContact O-CB 3.27Å; V180-L183 PolarHBondContact O-N 3.18Å; V181-L183 PolarHBondContact O-N 3.09Å; L183-G189 CarbonylContact O-C 3.16Å; L183-G189 WeakPolarHBondContact O-CA 3.47Å; L183-P190 VanDerWaalsContact O-CD 3.3Å; L183-P190 WeakPolarHBondContact O-CD 3.46Å; L183-P190 VanDerWaalsContact O-N 3.14Å; L183-I191 HydrophobicContact CB-CD1 3.68Å; L183-I191 HydrophobicContact CB-CG1 4.22Å; L183-I191 WeakPolarHBondContact O-CB 3.12Å; L183-I191 WeakPolarHBondContact O-CG1 3.34Å; L183-I191 PolarHBondContact O-N 3.26Å
184	Q	98.3	Very high	97.6	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.009	19%	0.186	C	C	.	.	B	Isolated β-bridge	trans	-62.8	144.3	171.4	-72.4	-175.2	100.4	0	0	112	V180 V181 K186 K187 G188 G189 G221 E224	V180-Q184 PolarHBondContact O-N 2.81Å; V181-Q184 WeakPolarHBondContact O-CB 3.45Å; V181-Q184 WeakPolarHBondContact O-CG 3.21Å; V181-Q184 PolarHBondContact O-N 3.2Å; V181-Q184 PolarHBondContact O-NE2 3.01Å; Q184-K186 VanDerWaalsContact C-N 3.29Å; Q184-K186 PolarHBondContact O-N 3.24Å; Q184-K187 HydrophobicContact CB-CB 4.32Å; Q184-K187 HydrophobicContact CB-CG 4.19Å; Q184-K187 CarbonylContact O-C 3.35Å; Q184-K187 WeakPolarHBondContact O-CA 3.29Å; Q184-K187 WeakPolarHBondContact O-CB 3.49Å; Q184-K187 PolarHBondContact O-N 2.91Å; Q184-G188 PolarHBondContact O-N 3.12Å; Q184-G189 PolarHBondContact O-N 3.29Å; Q184-G221 PolarHBondContact NE2-O 3.23Å; Q184-G221 PolarHBondContact OE1-O 3.13Å; Q184-E224 HydrophobicContact CB-CG 4.04Å; Q184-E224 WeakPolarHBondContact CB-OE1 3.38Å; Q184-E224 HydrophobicContact CG-CG 3.99Å
185	F	97.1	Very high	97.6	Very high	8 Å²	8	31.8 Å²	31.8	4%	0.035	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-51.4	-47.8	175.7	-177.8	-85.9	0	0	0	112.2	G44 L54 E55 W128 K187 G188 G189 I191 I192 E224	G44-F185 VanDerWaalsContact CA-CD1 3.42Å; L54-F185 HydrophobicContact CD1-CD2 4.33Å; L54-F185 HydrophobicContact CD1-CE2 4Å; L54-F185 HydrophobicContact CD1-CZ 4.25Å; E55-F185 HydrophobicContact CG-CZ 4.08Å; E55-F185 WeakPolarHBondContact OE1-CE1 3.17Å; E55-F185 WeakPolarHBondContact OE1-CZ 3.4Å; W128-F185 HydrophobicContact CE3-CD2 4.28Å; W128-F185 AromaticContact CH2-CD2 3.92Å; W128-F185 HydrophobicContact CH2-CD2 3.92Å; W128-F185 AromaticContact CH2-CE2 3.48Å; W128-F185 HydrophobicContact CH2-CE2 3.48Å; W128-F185 VanDerWaalsContact CH2-CE2 3.48Å; W128-F185 HydrophobicContact CZ2-CE2 4.46Å; W128-F185 AromaticContact CZ3-CD2 3.49Å; W128-F185 HydrophobicContact CZ3-CD2 3.49Å; W128-F185 VanDerWaalsContact CZ3-CD2 3.49Å; W128-F185 AromaticContact CZ3-CE2 3.58Å; W128-F185 HydrophobicContact CZ3-CE2 3.58Å; F185-K187 PolarHBondContact O-N 3.02Å; F185-K187 VanDerWaalsContact O-N 3.09Å; F185-G188 WeakPolarHBondContact O-CA 3.28Å; F185-G188 PolarHBondContact O-N 3.19Å; F185-G189 WeakPolarHBondContact CA-O 3.31Å; F185-I191 VanDerWaalsContact CB-O 3.23Å; F185-I191 WeakPolarHBondContact CB-O 3.22Å; F185-I191 PolarHBondContact N-O 2.93Å; F185-I192 HydrophobicContact CB-CG2 4.25Å; F185-I192 HydrophobicContact CD2-CG2 3.87Å; F185-I192 HydrophobicContact CG-CG2 4.36Å; F185-E224 PolarHBondContact N-OE1 3.16Å
186	K	93.3	Very high	97.5	Very high	130 Å²	130	26.6 Å²	26.6	57%	0.565	14%	0.142	S	C	*	.	G	3₁₀ helix	trans	-63	-14.3	176.5	-69.7	176.3	-179.1	-177	0	113.5	Q184 N223 E224	Q184-K186 VanDerWaalsContact C-N 3.29Å; Q184-K186 PolarHBondContact O-N 3.24Å; K186-N223 HydrophobicContact CD-CB 4.24Å; K186-N223 WeakPolarHBondContact CE-O 3.46Å; K186-N223 PolarHBondContact NZ-O 2.66Å; K186-E224 VanDerWaalsContact CB-OE1 3.32Å; K186-E224 WeakPolarHBondContact CB-OE1 3.24Å; K186-E224 WeakPolarHBondContact CG-OE1 3.24Å; K186-E224 PolarHBondContact N-OE1 3.2Å
187	K	94.8	Very high	97.5	Very high	134 Å²	134	26.7 Å²	26.7	58%	0.583	14%	0.143	S	C	*	.	G	3₁₀ helix	trans	-106.9	3	173.4	-59	-59.1	-175.4	178.4	0	112.9	V181 Q184 F185	V181-K187 WeakPolarHBondContact O-CG 3.42Å; Q184-K187 HydrophobicContact CB-CB 4.32Å; Q184-K187 HydrophobicContact CB-CG 4.19Å; Q184-K187 CarbonylContact O-C 3.35Å; Q184-K187 WeakPolarHBondContact O-CA 3.29Å; Q184-K187 WeakPolarHBondContact O-CB 3.49Å; Q184-K187 PolarHBondContact O-N 2.91Å; F185-K187 PolarHBondContact O-N 3.02Å; F185-K187 VanDerWaalsContact O-N 3.09Å
188	G	92.3	Very high	97.4	Very high	19 Å²	19	26.8 Å²	26.8	20%	0.196	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.9	8.3	176.3	0	0	0	0	0	115.5	R41 Q184 F185	R41-G188 PolarHBondContact NH1-O 2.87Å; R41-G188 PolarHBondContact NH2-O 3.35Å; Q184-G188 PolarHBondContact O-N 3.12Å; F185-G188 WeakPolarHBondContact O-CA 3.28Å; F185-G188 PolarHBondContact O-N 3.19Å
189	G	96.6	Very high	97.4	Very high	11 Å²	11	23.9 Å²	23.9	11%	0.113	12%	0.124	C	C	.	.	S	Bend	trans	-94.5	-172.8	172.9	0	0	0	0	0	113.7	L183 Q184 F185	L183-G189 CarbonylContact O-C 3.16Å; L183-G189 WeakPolarHBondContact O-CA 3.47Å; Q184-G189 PolarHBondContact O-N 3.29Å; F185-G189 WeakPolarHBondContact CA-O 3.31Å
190	P	98.2	Very high	97.3	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-90.9	-7.2	-173.8	37.8	-40.1	0	0	0	114.9	I119 A123 V129 L183 I192	I119-P190 HydrophobicContact CG2-CG 3.51Å; A123-P190 HydrophobicContact CB-CB 3.87Å; A123-P190 HydrophobicContact CB-CG 3.89Å; V129-P190 HydrophobicContact CG2-CB 4.12Å; V129-P190 HydrophobicContact CG2-CG 3.98Å; V129-P190 PolarHBondContact N-O 2.96Å; L183-P190 VanDerWaalsContact O-CD 3.3Å; L183-P190 WeakPolarHBondContact O-CD 3.46Å; L183-P190 VanDerWaalsContact O-N 3.14Å; P190-I192 PolarHBondContact O-N 2.81Å
191	I	98.8	Very high	97.2	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	113.3	-175.7	-56.4	169.3	0	0	0	109.5	I119 V129 L131 V180 L183 F185 V194 E224	I119-I191 HydrophobicContact CD1-CD1 4.04Å; I119-I191 HydrophobicContact CD1-CG1 4.5Å; I119-I191 HydrophobicContact CG2-CD1 4.34Å; I119-I191 HydrophobicContact CG2-CG1 4.04Å; V129-I191 HydrophobicContact CB-CG1 4.15Å; V129-I191 HydrophobicContact CG1-CG1 4.15Å; V129-I191 CarbonylContact O-C 3.54Å; V129-I191 WeakPolarHBondContact O-CA 3.39Å; L131-I191 HydrophobicContact CB-CG2 4.16Å; L131-I191 HydrophobicContact CD2-CD1 4.17Å; V180-I191 HydrophobicContact CB-CD1 4.13Å; L183-I191 HydrophobicContact CB-CD1 3.68Å; L183-I191 HydrophobicContact CB-CG1 4.22Å; L183-I191 WeakPolarHBondContact O-CB 3.12Å; L183-I191 WeakPolarHBondContact O-CG1 3.34Å; L183-I191 PolarHBondContact O-N 3.26Å; F185-I191 VanDerWaalsContact CB-O 3.23Å; F185-I191 WeakPolarHBondContact CB-O 3.22Å; F185-I191 PolarHBondContact N-O 2.93Å; I191-V194 HydrophobicContact CG2-CG2 3.92Å; I191-E224 WeakPolarHBondContact O-CG 3.41Å
192	I	98.6	Very high	96.9	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-19.8	-177	57.8	167.9	0	0	0	113.5	L45 L54 F59 T90 W128 V129 I130 F185 P190	L45-I192 HydrophobicContact CB-CB 4.12Å; L45-I192 WeakPolarHBondContact CB-O 3.21Å; L45-I192 HydrophobicContact CD1-CD1 4.48Å; L45-I192 HydrophobicContact CD2-CD1 4.22Å; L45-I192 HydrophobicContact CD2-CG1 4.42Å; L54-I192 HydrophobicContact CD1-CG2 4.13Å; F59-I192 HydrophobicContact CE1-CD1 3.99Å; T90-I192 HydrophobicContact CG2-CD1 4.3Å; W128-I192 HydrophobicContact CB-CD1 3.66Å; W128-I192 HydrophobicContact CB-CG1 4.04Å; W128-I192 HydrophobicContact CB-CG2 4.26Å; W128-I192 HydrophobicContact CD2-CG2 3.9Å; W128-I192 HydrophobicContact CE3-CG2 3.5Å; W128-I192 HydrophobicContact CG-CD1 4.09Å; W128-I192 HydrophobicContact CG-CG2 4.24Å; W128-I192 HydrophobicContact CZ3-CG2 4.11Å; V129-I192 WeakPolarHBondContact O-CG1 3.29Å; V129-I192 PolarHBondContact O-N 3.32Å; I130-I192 HydrophobicContact CG1-CG1 4.46Å; F185-I192 HydrophobicContact CB-CG2 4.25Å; F185-I192 HydrophobicContact CD2-CG2 3.87Å; F185-I192 HydrophobicContact CG-CG2 4.36Å; P190-I192 PolarHBondContact O-N 2.81Å
193	A	98.8	Very high	96.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	157.8	174	0	0	0	0	0	111.4	L45 I130 L131 L225 L227	L45-A193 HydrophobicContact CD2-CB 4.12Å; I130-A193 WeakPolarHBondContact CA-O 3.37Å; I130-A193 HydrophobicContact CG1-CB 4.15Å; I130-A193 HydrophobicContact CG2-CB 4.43Å; L131-A193 PolarHBondContact N-O 3.45Å; A193-L225 CarbonylContact C-O 3.58Å; A193-L225 WeakPolarHBondContact CA-O 3.43Å; A193-L225 HydrophobicContact CB-CB 4.22Å; A193-L225 WeakPolarHBondContact CB-O 3.24Å; A193-L227 HydrophobicContact CB-CD2 3.96Å
194	V	98.9	Very high	96.4	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.1	177.8	-177.9	0	0	0	0	109.8	L131 P133 I191 L217 I222 L225 L226 L227	L131-V194 HydrophobicContact CB-CG2 4.48Å; L131-V194 CarbonylContact O-C 3.48Å; L131-V194 VanDerWaalsContact O-CA 3.28Å; L131-V194 WeakPolarHBondContact O-CA 3.22Å; P133-V194 HydrophobicContact CG-CG1 3.77Å; I191-V194 HydrophobicContact CG2-CG2 3.92Å; V194-L217 HydrophobicContact CG1-CD1 4.49Å; V194-I222 HydrophobicContact CB-CG2 3.94Å; V194-I222 HydrophobicContact CG1-CG2 4.19Å; V194-I222 HydrophobicContact CG2-CG2 3.77Å; V194-L225 PolarHBondContact N-O 3.28Å; V194-L226 HydrophobicContact CB-CD2 4.13Å; V194-L226 WeakPolarHBondContact O-CA 3.25Å; V194-L227 PolarHBondContact O-N 3.24Å
195	Q	98.7	Very high	96.2	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.009	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	139	171.9	-177.2	173.3	77.1	0	0	110.8	L131 R132 P133 E197 L227 S229	L131-Q195 PolarHBondContact O-N 3.22Å; R132-Q195 HydrophobicContact CB-CB 4.14Å; R132-Q195 HydrophobicContact CG-CB 3.81Å; R132-Q195 VanDerWaalsContact CZ-OE1 3.23Å; R132-Q195 VanDerWaalsContact NE-CD 3.3Å; R132-Q195 VanDerWaalsContact NH2-NE2 3.13Å; P133-Q195 VanDerWaalsContact CD-O 3.27Å; P133-Q195 WeakPolarHBondContact CD-O 3.28Å; Q195-E197 WeakPolarHBondContact CG-O 3.08Å; Q195-E197 PolarHBondContact OE1-O 2.91Å; Q195-L227 WeakPolarHBondContact CA-O 3.41Å; Q195-L227 HydrophobicContact CB-CD1 3.7Å; Q195-L227 HydrophobicContact CB-CG 4.26Å; Q195-L227 HydrophobicContact CG-CD1 3.77Å; Q195-S229 VanDerWaalsContact NE2-CB 3.28Å; Q195-S229 PolarHBondContact NE2-OG 3.28Å
196	L	97.2	Very high	96.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.			trans	-73.9	-52.5	-179.9	-66.7	-171.4	0	0	0	113.9	M210 I213 K214 L217 L226 L227 T228 V240 V243	L196-M210 HydrophobicContact CB-CE 4.35Å; L196-I213 HydrophobicContact CB-CG2 4.33Å; L196-I213 WeakPolarHBondContact O-CG2 3.33Å; L196-K214 HydrophobicContact CD1-CB 3.82Å; L196-K214 HydrophobicContact CD1-CG 4.16Å; L196-K214 HydrophobicContact CD2-CB 4.3Å; L196-K214 HydrophobicContact CD2-CG 4.45Å; L196-L217 HydrophobicContact CD2-CD1 3.6Å; L196-L226 HydrophobicContact CD2-CB 4.3Å; L196-L226 HydrophobicContact CD2-CD1 4.09Å; L196-L226 HydrophobicContact CD2-CD2 3.86Å; L196-L226 HydrophobicContact CD2-CG 4.3Å; L196-L227 PolarHBondContact N-O 3.41Å; L196-T228 HydrophobicContact CD1-CG2 4.4Å; L196-V240 HydrophobicContact CD1-CB 4.32Å; L196-V240 HydrophobicContact CD1-CG2 4.15Å; L196-V243 HydrophobicContact CD1-CB 4.35Å; L196-V243 HydrophobicContact CD1-CG1 3.85Å; L196-V243 HydrophobicContact CD1-CG2 3.71Å; L196-V243 HydrophobicContact CG-CG1 4.2Å
197	E	96.9	Very high	96.2	Very high	3 Å²	3	26 Å²	26	1%	0.014	15%	0.145	C	C	.	.	S	Bend	trans	-153.3	172.6	-176.1	-143.2	-92	-178.5	0	0	107	R159 Q195 Y209 M210	R159-E197 IonicContact CZ-OE1 3.56Å; R159-E197 IonicContact CZ-OE2 3.83Å; R159-E197 IonicContact NE-OE1 2.69Å; R159-E197 PolarHBondContact NE-OE1 3.08Å; R159-E197 IonicContact NE-OE2 3.68Å; R159-E197 IonicContact NH2-OE1 3.77Å; R159-E197 PolarHBondContact NH2-OE1 3.22Å; R159-E197 IonicContact NH2-OE2 3Å; R159-E197 PolarHBondContact NH2-OE2 3.24Å; Q195-E197 WeakPolarHBondContact CG-O 3.08Å; Q195-E197 PolarHBondContact OE1-O 2.91Å; E197-Y209 HydrophobicContact CG-CE1 3.86Å; E197-M210 HydrophobicContact CB-CE 3.82Å; E197-M210 HydrophobicContact CB-SD 3.47Å; E197-M210 WeakPolarHBondContact CB-SD 3.37Å; E197-M210 HydrophobicContact CG-SD 4.04Å
198	N	98	Very high	96.3	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.011	14%	0.137	C	C	.	.	S	Bend	trans	-114.2	115	-175.5	-173.3	58.7	0	0	0	113.3	Y94 R132 Y136 C138 R159 Y200	Y94-N198 HydrophobicContact CE1-CB 4.33Å; Y94-N198 PolarHBondContact OH-ND2 2.96Å; Y94-N198 PolarHBondContact OH-OD1 3.16Å; R132-N198 PolarHBondContact NH2-OD1 2.72Å; Y136-N198 HydrophobicContact CD1-CB 4.31Å; C138-N198 VanDerWaalsContact CB-ND2 3.31Å; C138-N198 WeakPolarHBondContact CB-ND2 3.38Å; R159-N198 PolarHBondContact NH2-O 3.24Å; N198-Y200 PolarHBondContact O-N 2.93Å
199	E	96.9	Very high	96.6	Very high	11 Å²	11	22 Å²	22	5%	0.051	13%	0.128	C	C	.	.	S	Bend	trans	48.8	46.1	175.2	-59.1	-164.3	132.1	0	0	112.5	R159 G201 S202 S229 D230 N248	R159-E199 PolarHBondContact NH2-O 3.09Å; E199-G201 PolarHBondContact O-N 2.74Å; E199-S202 PolarHBondContact O-N 2.85Å; E199-S229 VanDerWaalsContact CA-O 3.23Å; E199-S229 WeakPolarHBondContact CA-O 3.39Å; E199-S229 PolarHBondContact N-O 3.31Å; E199-S229 VanDerWaalsContact N-O 3.09Å; E199-D230 WeakPolarHBondContact CA-OD1 3.24Å; E199-N248 VanDerWaalsContact CG-ND2 3.33Å; E199-N248 WeakPolarHBondContact CG-ND2 3.34Å; E199-N248 WeakPolarHBondContact OE1-CB 3.39Å; E199-N248 PolarHBondContact OE1-ND2 2.74Å
200	Y	97.5	Very high	96.6	Very high	7 Å²	7	21.9 Å²	21.9	3%	0.027	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-63.7	-30.4	-178.1	-172	-107.1	0	0	0	112.1	R159 N198 S202 F203 A204 D206 Y209 M210 D230	R159-Y200 HydrophobicContact CB-CE2 4.28Å; R159-Y200 WeakPolarHBondContact O-CE2 3.42Å; R159-Y200 PolarHBondContact O-OH 3.43Å; N198-Y200 PolarHBondContact O-N 2.93Å; Y200-S202 PolarHBondContact O-N 2.97Å; Y200-F203 HydrophobicContact CD2-CB 4.49Å; Y200-F203 HydrophobicContact CD2-CD1 4.28Å; Y200-F203 AromaticContact CE2-CD1 3.59Å; Y200-F203 HydrophobicContact CE2-CD1 3.59Å; Y200-F203 HydrophobicContact CE2-CE1 4.3Å; Y200-F203 CarbonylContact O-C 3.52Å; Y200-F203 WeakPolarHBondContact O-CA 3.42Å; Y200-F203 WeakPolarHBondContact O-CB 3.48Å; Y200-F203 PolarHBondContact O-N 2.73Å; Y200-A204 PolarHBondContact O-N 3.24Å; Y200-D206 WeakPolarHBondContact CE1-O 3.26Å; Y200-D206 WeakPolarHBondContact OH-CA 3.39Å; Y200-D206 PolarHBondContact OH-N 3.09Å; Y200-D206 PolarHBondContact OH-O 3.42Å; Y200-Y209 AromaticContact CD2-CD1 3.78Å; Y200-Y209 HydrophobicContact CD2-CD1 3.78Å; Y200-Y209 AromaticContact CD2-CE1 3.87Å; Y200-Y209 HydrophobicContact CD2-CE1 3.87Å; Y200-Y209 HydrophobicContact CE1-CD1 4.32Å; Y200-Y209 AromaticContact CE2-CD1 3.3Å; Y200-Y209 HydrophobicContact CE2-CD1 3.3Å; Y200-Y209 AromaticContact CE2-CE1 3.71Å; Y200-Y209 HydrophobicContact CE2-CE1 3.71Å; Y200-Y209 HydrophobicContact CE2-CG 4.33Å; Y200-Y209 HydrophobicContact CG-CD1 4.48Å; Y200-Y209 AromaticContact CZ-CD1 3.59Å; Y200-M210 VanDerWaalsContact CB-SD 3.56Å; Y200-M210 HydrophobicContact CD1-CG 3.24Å; Y200-M210 HydrophobicContact CD1-SD 3.87Å; Y200-M210 HydrophobicContact CD2-CG 4.49Å; Y200-M210 HydrophobicContact CD2-SD 4.27Å; Y200-M210 HydrophobicContact CE1-CG 3.72Å; Y200-M210 HydrophobicContact CG-CG 3.67Å; Y200-M210 HydrophobicContact CG-SD 3.61Å; Y200-D230 PolarHBondContact N-OD1 3Å
201	G	96	Very high	96.6	Very high	9 Å²	9	25.1 Å²	25.1	9%	0.093	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-60.5	-29.5	-179.7	0	0	0	0	0	113.9	E199 F203 A204 D230 G234	E199-G201 PolarHBondContact O-N 2.74Å; G201-F203 PolarHBondContact O-N 3.43Å; G201-A204 WeakPolarHBondContact O-CB 3.44Å; G201-D230 WeakPolarHBondContact CA-OD1 3.27Å; G201-D230 PolarHBondContact N-OD1 3.2Å; G201-G234 WeakPolarHBondContact CA-O 3.43Å
202	S	92.3	Very high	96.6	Very high	26 Å²	26	27 Å²	27	18%	0.182	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-77.1	-9.8	175.4	-50.2	0	0	0	0	113.2	E199 Y200 N231 Y491	E199-S202 PolarHBondContact O-N 2.85Å; Y200-S202 PolarHBondContact O-N 2.97Å; S202-N231 PolarHBondContact OG-OD1 3.14Å; S202-Y491 WeakPolarHBondContact CB-OH 3.4Å; S202-Y491 PolarHBondContact OG-OH 2.99Å
203	F	94.1	Very high	96.6	Very high	7 Å²	7	27 Å²	27	3%	0.031	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	-61.3	173.3	-175.3	-97.3	0	0	0	111.3	L158 R159 T160 Y200 G201 M205 K493	L158-F203 WeakPolarHBondContact O-CZ 3.36Å; R159-F203 HydrophobicContact CB-CD1 4.06Å; R159-F203 HydrophobicContact CB-CE1 3.75Å; R159-F203 HydrophobicContact CB-CZ 4.17Å; R159-F203 WeakPolarHBondContact O-CE1 3.37Å; T160-F203 HydrophobicContact CG2-CE1 4.25Å; Y200-F203 HydrophobicContact CD2-CB 4.49Å; Y200-F203 HydrophobicContact CD2-CD1 4.28Å; Y200-F203 AromaticContact CE2-CD1 3.59Å; Y200-F203 HydrophobicContact CE2-CD1 3.59Å; Y200-F203 HydrophobicContact CE2-CE1 4.3Å; Y200-F203 CarbonylContact O-C 3.52Å; Y200-F203 WeakPolarHBondContact O-CA 3.42Å; Y200-F203 WeakPolarHBondContact O-CB 3.48Å; Y200-F203 PolarHBondContact O-N 2.73Å; G201-F203 PolarHBondContact O-N 3.43Å; F203-M205 VanDerWaalsContact C-N 3.35Å; F203-M205 HydrophobicContact CD1-CB 4.09Å; F203-M205 HydrophobicContact CD1-CG 3.92Å; F203-M205 HydrophobicContact CE1-CB 3.67Å; F203-M205 HydrophobicContact CE1-CG 3.67Å; F203-M205 HydrophobicContact CE2-CG 4.32Å; F203-M205 HydrophobicContact CG-CG 4.36Å; F203-M205 HydrophobicContact CZ-CB 4.24Å; F203-M205 HydrophobicContact CZ-CG 3.89Å; F203-M205 WeakPolarHBondContact O-CG 3.27Å; F203-M205 PolarHBondContact O-N 3.19Å; F203-K493 HydrophobicContact CD2-CG 4.16Å; F203-K493 HydrophobicContact CE2-CG 4.35Å; F203-K493 WeakPolarHBondContact O-CE 3.42Å
204	A	91.8	Very high	96.6	Very high	32 Å²	32	29.1 Å²	29.1	26%	0.264	16%	0.163	S	C	.	.			trans	45.5	46	168.4	0	0	0	0	0	115.3	Y200 G201 E237	Y200-A204 PolarHBondContact O-N 3.24Å; G201-A204 WeakPolarHBondContact O-CB 3.44Å; A204-E237 HydrophobicContact CB-CB 3.74Å; A204-E237 HydrophobicContact CB-CG 4.32Å
205	M	92.6	Very high	96.6	Very high	107 Å²	107	34.6 Å²	34.6	53%	0.527	19%	0.188	S	C	.	.			trans	-92.8	-14.1	-178.7	-60.5	-77.3	59.9	0	0	114.6	F203 K493	F203-M205 VanDerWaalsContact C-N 3.35Å; F203-M205 HydrophobicContact CD1-CB 4.09Å; F203-M205 HydrophobicContact CD1-CG 3.92Å; F203-M205 HydrophobicContact CE1-CB 3.67Å; F203-M205 HydrophobicContact CE1-CG 3.67Å; F203-M205 HydrophobicContact CE2-CG 4.32Å; F203-M205 HydrophobicContact CG-CG 4.36Å; F203-M205 HydrophobicContact CZ-CB 4.24Å; F203-M205 HydrophobicContact CZ-CG 3.89Å; F203-M205 WeakPolarHBondContact O-CG 3.27Å; F203-M205 PolarHBondContact O-N 3.19Å; M205-K493 HydrophobicContact SD-CD 3.84Å
206	D	96	Very high	96.6	Very high	25 Å²	25	34.6 Å²	34.6	13%	0.134	19%	0.189	C	C	.	.			trans	-145.5	115.9	-178.8	-177.9	-13.1	0	0	0	110.2	T160 T161 Y200 T208 Y209	T160-D206 HydrophobicContact CG2-CB 4.06Å; T161-D206 WeakPolarHBondContact CB-OD2 3.42Å; T161-D206 PolarHBondContact N-OD2 3.5Å; T161-D206 PolarHBondContact OG1-OD2 2.76Å; Y200-D206 WeakPolarHBondContact CE1-O 3.26Å; Y200-D206 WeakPolarHBondContact OH-CA 3.39Å; Y200-D206 PolarHBondContact OH-N 3.09Å; Y200-D206 PolarHBondContact OH-O 3.42Å; D206-T208 VanDerWaalsContact C-N 3.28Å; D206-T208 PolarHBondContact O-N 3.48Å; D206-T208 WeakPolarHBondContact OD1-CA 3.38Å; D206-T208 WeakPolarHBondContact OD1-CB 3.5Å; D206-T208 PolarHBondContact OD1-N 2.75Å; D206-T208 PolarHBondContact OD1-OG1 3.48Å; D206-T208 PolarHBondContact OD2-OG1 2.86Å; D206-Y209 PolarHBondContact OD1-N 2.76Å
207	N	95.1	Very high	96.6	Very high	147 Å²	147	34.6 Å²	34.6	79%	0.786	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.3	-11.8	-178.8	64.1	-6.2	0	0	0	113.7	P211	N207-P211 WeakPolarHBondContact O-CD 3.36Å
208	T	97.1	Very high	96.7	Very high	70 Å²	70	38 Å²	38	43%	0.429	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-16.6	177.4	67.6	0	0	0	0	112.9	T161 D206 P211 F212	T161-T208 WeakPolarHBondContact CG2-OG1 3.41Å; T161-T208 PolarHBondContact OG1-OG1 2.75Å; D206-T208 VanDerWaalsContact C-N 3.28Å; D206-T208 PolarHBondContact O-N 3.48Å; D206-T208 WeakPolarHBondContact OD1-CA 3.38Å; D206-T208 WeakPolarHBondContact OD1-CB 3.5Å; D206-T208 PolarHBondContact OD1-N 2.75Å; D206-T208 PolarHBondContact OD1-OG1 3.48Å; D206-T208 PolarHBondContact OD2-OG1 2.86Å; T208-P211 WeakPolarHBondContact O-CD 3.48Å; T208-F212 PolarHBondContact O-N 2.76Å; T208-F212 VanDerWaalsContact O-N 3.11Å
209	Y	98.1	Very high	96.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-65.7	-48.2	-176.5	174.9	-113	0	0	0	113.7	P135 R159 T160 F165 E197 Y200 D206 F212 I213	P135-Y209 WeakPolarHBondContact CG-OH 3.49Å; R159-Y209 HydrophobicContact CB-CE1 4.14Å; T160-Y209 VanDerWaalsContact C-CD2 3.47Å; T160-Y209 WeakPolarHBondContact O-CD2 3.38Å; F165-Y209 HydrophobicContact CD1-CE2 4.16Å; F165-Y209 AromaticContact CE1-CE2 3.68Å; F165-Y209 HydrophobicContact CE1-CE2 3.68Å; F165-Y209 AromaticContact CE1-CZ 3.93Å; E197-Y209 HydrophobicContact CG-CE1 3.86Å; Y200-Y209 AromaticContact CD2-CD1 3.78Å; Y200-Y209 HydrophobicContact CD2-CD1 3.78Å; Y200-Y209 AromaticContact CD2-CE1 3.87Å; Y200-Y209 HydrophobicContact CD2-CE1 3.87Å; Y200-Y209 HydrophobicContact CE1-CD1 4.32Å; Y200-Y209 AromaticContact CE2-CD1 3.3Å; Y200-Y209 HydrophobicContact CE2-CD1 3.3Å; Y200-Y209 AromaticContact CE2-CE1 3.71Å; Y200-Y209 HydrophobicContact CE2-CE1 3.71Å; Y200-Y209 HydrophobicContact CE2-CG 4.33Å; Y200-Y209 HydrophobicContact CG-CD1 4.48Å; Y200-Y209 AromaticContact CZ-CD1 3.59Å; D206-Y209 PolarHBondContact OD1-N 2.76Å; Y209-F212 HydrophobicContact CD2-CD1 4.01Å; Y209-F212 HydrophobicContact CE2-CD1 4.2Å; Y209-F212 HydrophobicContact CE2-CE1 4.43Å; Y209-F212 WeakPolarHBondContact O-CA 3.17Å; Y209-F212 VanDerWaalsContact O-CB 3.29Å; Y209-F212 WeakPolarHBondContact O-CB 3.22Å; Y209-F212 PolarHBondContact O-N 2.73Å; Y209-F212 VanDerWaalsContact O-N 3.07Å; Y209-I213 HydrophobicContact CD1-CG1 4.41Å; Y209-I213 HydrophobicContact CD2-CD1 4.43Å; Y209-I213 HydrophobicContact CD2-CG1 4.1Å; Y209-I213 HydrophobicContact CE1-CG1 4.01Å; Y209-I213 HydrophobicContact CE2-CD1 3.59Å; Y209-I213 HydrophobicContact CE2-CG1 3.6Å; Y209-I213 HydrophobicContact CG-CG1 4.49Å; Y209-I213 WeakPolarHBondContact O-CG1 3.23Å; Y209-I213 PolarHBondContact O-N 3.43Å
210	M	98	Very high	96.8	Very high	9 Å²	9	43.2 Å²	43.2	4%	0.044	24%	0.235	C	C	.	.	H	α-helix	trans	-64.2	-41.7	-179.8	-69.8	-66.5	-73.9	0	0	113.3	L196 E197 Y200 F212 I213 K214 T228 V240	L196-M210 HydrophobicContact CB-CE 4.35Å; E197-M210 HydrophobicContact CB-CE 3.82Å; E197-M210 HydrophobicContact CB-SD 3.47Å; E197-M210 WeakPolarHBondContact CB-SD 3.37Å; E197-M210 HydrophobicContact CG-SD 4.04Å; Y200-M210 VanDerWaalsContact CB-SD 3.56Å; Y200-M210 HydrophobicContact CD1-CG 3.24Å; Y200-M210 HydrophobicContact CD1-SD 3.87Å; Y200-M210 HydrophobicContact CD2-CG 4.49Å; Y200-M210 HydrophobicContact CD2-SD 4.27Å; Y200-M210 HydrophobicContact CE1-CG 3.72Å; Y200-M210 HydrophobicContact CG-CG 3.67Å; Y200-M210 HydrophobicContact CG-SD 3.61Å; M210-F212 VanDerWaalsContact C-N 3.32Å; M210-F212 PolarHBondContact O-N 3.21Å; M210-I213 PolarHBondContact O-N 2.84Å; M210-K214 PolarHBondContact O-N 3.04Å; M210-T228 HydrophobicContact CE-CG2 3.73Å; M210-V240 HydrophobicContact CB-CG2 3.48Å; M210-V240 VanDerWaalsContact CB-CG2 3.48Å; M210-V240 HydrophobicContact CE-CG2 3.83Å; M210-V240 HydrophobicContact CG-CG2 4.31Å
211	P	98.1	Very high	96.8	Very high	67 Å²	67	43.8 Å²	43.8	44%	0.435	24%	0.244	S	C	.	.	H	α-helix	trans	-55.3	-42	166.4	-28.3	34.7	0	0	0	114	N207 T208 K214 E215	N207-P211 WeakPolarHBondContact O-CD 3.36Å; T208-P211 WeakPolarHBondContact O-CD 3.48Å; P211-K214 WeakPolarHBondContact O-CB 3.31Å; P211-K214 PolarHBondContact O-N 2.88Å; P211-E215 PolarHBondContact O-N 3.25Å
212	F	98.4	Very high	96.9	Very high	43 Å²	43	43.4 Å²	43.4	19%	0.189	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-46.8	175.5	157.5	-102.1	0	0	0	112.1	T161 A166 V169 N170 T208 Y209 M210 K214 E215 A216	T161-F212 HydrophobicContact CG2-CB 4.18Å; A166-F212 HydrophobicContact CB-CE1 4.19Å; A166-F212 HydrophobicContact CB-CE2 4.28Å; A166-F212 HydrophobicContact CB-CZ 3.86Å; V169-F212 HydrophobicContact CB-CE1 4.26Å; V169-F212 HydrophobicContact CB-CZ 4.34Å; V169-F212 HydrophobicContact CG1-CE1 4.01Å; V169-F212 HydrophobicContact CG1-CZ 4.19Å; N170-F212 WeakPolarHBondContact ND2-CE2 3.43Å; T208-F212 PolarHBondContact O-N 2.76Å; T208-F212 VanDerWaalsContact O-N 3.11Å; Y209-F212 HydrophobicContact CD2-CD1 4.01Å; Y209-F212 HydrophobicContact CE2-CD1 4.2Å; Y209-F212 HydrophobicContact CE2-CE1 4.43Å; Y209-F212 WeakPolarHBondContact O-CA 3.17Å; Y209-F212 VanDerWaalsContact O-CB 3.29Å; Y209-F212 WeakPolarHBondContact O-CB 3.22Å; Y209-F212 PolarHBondContact O-N 2.73Å; Y209-F212 VanDerWaalsContact O-N 3.07Å; M210-F212 VanDerWaalsContact C-N 3.32Å; M210-F212 PolarHBondContact O-N 3.21Å; F212-K214 VanDerWaalsContact C-N 3.35Å; F212-K214 PolarHBondContact O-N 2.91Å; F212-E215 PolarHBondContact O-N 3.19Å; F212-A216 WeakPolarHBondContact O-CB 3.49Å; F212-A216 PolarHBondContact O-N 2.73Å
213	I	98.6	Very high	97.1	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-63.1	-42.3	178.8	-65.3	-63.1	0	0	0	111.4	P135 V169 F173 L196 Y209 M210 E215 A216 L217	P135-I213 HydrophobicContact CG-CD1 3.94Å; V169-I213 HydrophobicContact CG1-CD1 3.78Å; F173-I213 HydrophobicContact CE2-CG2 4.5Å; L196-I213 HydrophobicContact CB-CG2 4.33Å; L196-I213 WeakPolarHBondContact O-CG2 3.33Å; Y209-I213 HydrophobicContact CD1-CG1 4.41Å; Y209-I213 HydrophobicContact CD2-CD1 4.43Å; Y209-I213 HydrophobicContact CD2-CG1 4.1Å; Y209-I213 HydrophobicContact CE1-CG1 4.01Å; Y209-I213 HydrophobicContact CE2-CD1 3.59Å; Y209-I213 HydrophobicContact CE2-CG1 3.6Å; Y209-I213 HydrophobicContact CG-CG1 4.49Å; Y209-I213 WeakPolarHBondContact O-CG1 3.23Å; Y209-I213 PolarHBondContact O-N 3.43Å; M210-I213 PolarHBondContact O-N 2.84Å; I213-E215 PolarHBondContact O-N 3.49Å; I213-A216 PolarHBondContact O-N 2.84Å; I213-L217 HydrophobicContact CG2-CD1 4.28Å; I213-L217 WeakPolarHBondContact O-CG 3.41Å; I213-L217 PolarHBondContact O-N 2.78Å
214	K	98.5	Very high	97.2	Very high	43 Å²	43	46.2 Å²	46.2	19%	0.187	25%	0.253	C	S	.	.	H	α-helix	trans	-55.5	-52.2	173.7	-177.6	-177.1	173.8	-170.9	0	111.2	L196 M210 P211 F212 A216 L217 Q218 L226 V240 T241 V243	L196-K214 HydrophobicContact CD1-CB 3.82Å; L196-K214 HydrophobicContact CD1-CG 4.16Å; L196-K214 HydrophobicContact CD2-CB 4.3Å; L196-K214 HydrophobicContact CD2-CG 4.45Å; M210-K214 PolarHBondContact O-N 3.04Å; P211-K214 WeakPolarHBondContact O-CB 3.31Å; P211-K214 PolarHBondContact O-N 2.88Å; F212-K214 VanDerWaalsContact C-N 3.35Å; F212-K214 PolarHBondContact O-N 2.91Å; K214-A216 VanDerWaalsContact C-N 3.32Å; K214-A216 PolarHBondContact O-N 3.09Å; K214-L217 PolarHBondContact O-N 2.93Å; K214-Q218 WeakPolarHBondContact O-CG 3.32Å; K214-Q218 PolarHBondContact O-N 3.38Å; K214-L226 HydrophobicContact CG-CD1 4.21Å; K214-V240 HydrophobicContact CD-CG1 3.78Å; K214-T241 PolarHBondContact NZ-O 2.97Å; K214-V243 HydrophobicContact CD-CG2 3.91Å
215	E	98.4	Very high	97.5	Very high	116 Å²	116	46.3 Å²	46.3	54%	0.542	25%	0.248	S	C	.	.	H	α-helix	trans	-62.9	-40.6	179.4	-176.5	58.3	-157.4	0	0	111.5	P211 F212 I213 L217 Q218 S219	P211-E215 PolarHBondContact O-N 3.25Å; F212-E215 PolarHBondContact O-N 3.19Å; I213-E215 PolarHBondContact O-N 3.49Å; E215-L217 VanDerWaalsContact C-N 3.3Å; E215-L217 PolarHBondContact O-N 3.33Å; E215-Q218 PolarHBondContact O-N 3.31Å; E215-S219 VanDerWaalsContact O-CB 3.22Å; E215-S219 WeakPolarHBondContact O-CB 3.3Å; E215-S219 PolarHBondContact O-N 2.97Å; E215-S219 PolarHBondContact O-OG 3.26Å
216	A	98.4	Very high	97.8	Very high	3 Å²	3	41.7 Å²	41.7	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-38	179.5	0	0	0	0	0	112.5	F173 F212 I213 K214 S219 R220	F173-A216 HydrophobicContact CD2-CB 3.98Å; F173-A216 HydrophobicContact CE2-CB 4.42Å; F212-A216 WeakPolarHBondContact O-CB 3.49Å; F212-A216 PolarHBondContact O-N 2.73Å; I213-A216 PolarHBondContact O-N 2.84Å; K214-A216 VanDerWaalsContact C-N 3.32Å; K214-A216 PolarHBondContact O-N 3.09Å; A216-S219 PolarHBondContact O-OG 3.23Å; A216-R220 VanDerWaalsContact O-CD 3.26Å; A216-R220 WeakPolarHBondContact O-CD 3.49Å; A216-R220 VanDerWaalsContact O-CG 3.3Å; A216-R220 WeakPolarHBondContact O-CG 3.23Å; A216-R220 PolarHBondContact O-NH1 3.35Å
217	L	98.7	Very high	97.9	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-74.6	-46.5	175.5	-68.4	173.4	0	0	0	112	P133 F173 I177 V194 L196 I213 K214 E215 R220 G221 I222	P133-L217 HydrophobicContact CG-CD1 4.4Å; P133-L217 HydrophobicContact CG-CD2 4.12Å; F173-L217 HydrophobicContact CD2-CD2 3.9Å; F173-L217 HydrophobicContact CD2-CG 4.36Å; F173-L217 HydrophobicContact CE1-CD2 4.49Å; F173-L217 HydrophobicContact CE2-CD2 3.57Å; F173-L217 HydrophobicContact CE2-CG 3.86Å; F173-L217 HydrophobicContact CG-CD2 4.49Å; F173-L217 HydrophobicContact CZ-CD2 3.88Å; F173-L217 HydrophobicContact CZ-CG 4.45Å; I177-L217 HydrophobicContact CD1-CD2 3.38Å; I177-L217 HydrophobicContact CG1-CD2 4.01Å; V194-L217 HydrophobicContact CG1-CD1 4.49Å; L196-L217 HydrophobicContact CD2-CD1 3.6Å; I213-L217 HydrophobicContact CG2-CD1 4.28Å; I213-L217 WeakPolarHBondContact O-CG 3.41Å; I213-L217 PolarHBondContact O-N 2.78Å; K214-L217 PolarHBondContact O-N 2.93Å; E215-L217 VanDerWaalsContact C-N 3.3Å; E215-L217 PolarHBondContact O-N 3.33Å; L217-R220 PolarHBondContact O-N 3.36Å; L217-G221 PolarHBondContact O-N 2.99Å; L217-I222 HydrophobicContact CB-CB 4.2Å; L217-I222 HydrophobicContact CB-CG1 4.14Å; L217-I222 HydrophobicContact CD2-CG1 4.35Å; L217-I222 WeakPolarHBondContact O-CB 3.16Å; L217-I222 WeakPolarHBondContact O-CG1 3.33Å; L217-I222 PolarHBondContact O-N 3.37Å; L217-I222 VanDerWaalsContact O-N 3.12Å
218	Q	98.4	Very high	98	Very high	73 Å²	73	33.8 Å²	33.8	34%	0.341	18%	0.183	S	C	.	.	H	α-helix	trans	-67.8	-45.6	-175.8	-70.2	-171.1	-64.7	0	0	112.5	K214 E215 R220 G221 L226	K214-Q218 WeakPolarHBondContact O-CG 3.32Å; K214-Q218 PolarHBondContact O-N 3.38Å; E215-Q218 PolarHBondContact O-N 3.31Å; Q218-R220 PolarHBondContact O-N 3.45Å; Q218-R220 VanDerWaalsContact O-N 3.12Å; Q218-G221 PolarHBondContact O-N 3.13Å; Q218-L226 HydrophobicContact CG-CD1 3.87Å
219	S	98.3	Very high	98.1	Very high	75 Å²	75	30.4 Å²	30.4	52%	0.524	16%	0.163	S	C	.	.	H	α-helix	trans	-59.4	-24	176.7	59.4	0	0	0	0	113	E215 A216	E215-S219 VanDerWaalsContact O-CB 3.22Å; E215-S219 WeakPolarHBondContact O-CB 3.3Å; E215-S219 PolarHBondContact O-N 2.97Å; E215-S219 PolarHBondContact O-OG 3.26Å; A216-S219 PolarHBondContact O-OG 3.23Å
220	R	98.5	Very high	98	Very high	48 Å²	48	30.5 Å²	30.5	18%	0.181	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	6	176.4	-66.9	175.8	176.9	77.3	3.2	114	N170 D174 I177 V181 A216 L217 Q218	N170-R220 PolarHBondContact O-NH2 2.98Å; N170-R220 PolarHBondContact OD1-NH1 3.48Å; N170-R220 VanDerWaalsContact OD1-NH1 3.16Å; N170-R220 PolarHBondContact OD1-NH2 3.4Å; D174-R220 IonicContact OD1-CZ 3.81Å; D174-R220 IonicContact OD1-NE 2.78Å; D174-R220 PolarHBondContact OD1-NE 3.5Å; D174-R220 IonicContact OD1-NH2 3.71Å; D174-R220 PolarHBondContact OD1-NH2 2.95Å; D174-R220 IonicContact OD2-NH2 3.54Å; I177-R220 HydrophobicContact CB-CB 3.9Å; I177-R220 HydrophobicContact CG1-CB 4.4Å; I177-R220 HydrophobicContact CG2-CB 3.55Å; I177-R220 WeakPolarHBondContact CG2-O 3.23Å; V181-R220 WeakPolarHBondContact CG2-O 3.4Å; A216-R220 VanDerWaalsContact O-CD 3.26Å; A216-R220 WeakPolarHBondContact O-CD 3.49Å; A216-R220 VanDerWaalsContact O-CG 3.3Å; A216-R220 WeakPolarHBondContact O-CG 3.23Å; A216-R220 PolarHBondContact O-NH1 3.35Å; L217-R220 PolarHBondContact O-N 3.36Å; Q218-R220 PolarHBondContact O-N 3.45Å; Q218-R220 VanDerWaalsContact O-N 3.12Å
221	G	97.9	Very high	97.8	Very high	20 Å²	20	31.2 Å²	31.2	21%	0.206	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.9	10.6	169.2	0	0	0	0	0	115.7	Q184 L217 Q218 N223	Q184-G221 PolarHBondContact NE2-O 3.23Å; Q184-G221 PolarHBondContact OE1-O 3.13Å; L217-G221 PolarHBondContact O-N 2.99Å; Q218-G221 PolarHBondContact O-N 3.13Å; G221-N223 PolarHBondContact O-N 3.21Å; G221-N223 PolarHBondContact O-ND2 3.16Å
222	I	98.3	Very high	97.4	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.17	C	C	.	.			trans	-71.5	114.7	168.1	-60.1	-57.5	0	0	0	109.4	I177 V180 V181 V194 L217 L226	I177-I222 HydrophobicContact CD1-CD1 4.43Å; I177-I222 HydrophobicContact CD1-CG1 4.3Å; I177-I222 HydrophobicContact CG2-CD1 3.84Å; I177-I222 HydrophobicContact CG2-CG1 3.78Å; V180-I222 HydrophobicContact CG2-CD1 4.16Å; V181-I222 HydrophobicContact CG2-CD1 4.5Å; V194-I222 HydrophobicContact CB-CG2 3.94Å; V194-I222 HydrophobicContact CG1-CG2 4.19Å; V194-I222 HydrophobicContact CG2-CG2 3.77Å; L217-I222 HydrophobicContact CB-CB 4.2Å; L217-I222 HydrophobicContact CB-CG1 4.14Å; L217-I222 HydrophobicContact CD2-CG1 4.35Å; L217-I222 WeakPolarHBondContact O-CB 3.16Å; L217-I222 WeakPolarHBondContact O-CG1 3.33Å; L217-I222 PolarHBondContact O-N 3.37Å; L217-I222 VanDerWaalsContact O-N 3.12Å; I222-L226 HydrophobicContact CG2-CD2 3.82Å
223	N	94.9	Very high	96.8	Very high	82 Å²	82	38.4 Å²	38.4	44%	0.439	20%	0.195	S	C	.	.			trans	-125.8	5	-173.6	-69.6	-34.2	0	0	0	113.2	K186 G221	K186-N223 HydrophobicContact CD-CB 4.24Å; K186-N223 WeakPolarHBondContact CE-O 3.46Å; K186-N223 PolarHBondContact NZ-O 2.66Å; G221-N223 PolarHBondContact O-N 3.21Å; G221-N223 PolarHBondContact O-ND2 3.16Å
224	E	97.3	Very high	96.5	Very high	10 Å²	10	38.4 Å²	38.4	5%	0.047	20%	0.195	C	C	.	.	S	Bend	trans	-80.1	177.1	176	-59.7	-53.4	161	0	0	112.7	Q184 F185 K186 I191 L226	Q184-E224 HydrophobicContact CB-CG 4.04Å; Q184-E224 WeakPolarHBondContact CB-OE1 3.38Å; Q184-E224 HydrophobicContact CG-CG 3.99Å; F185-E224 PolarHBondContact N-OE1 3.16Å; K186-E224 VanDerWaalsContact CB-OE1 3.32Å; K186-E224 WeakPolarHBondContact CB-OE1 3.24Å; K186-E224 WeakPolarHBondContact CG-OE1 3.24Å; K186-E224 PolarHBondContact N-OE1 3.2Å; I191-E224 WeakPolarHBondContact O-CG 3.41Å; E224-L226 PolarHBondContact O-N 3.18Å
225	L	97.9	Very high	96	Very high	33 Å²	33	36.4 Å²	36.4	17%	0.173	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	124.1	173.8	-177.3	72.5	0	0	0	109.5	L45 A47 F52 A193 V194 I244	L45-L225 HydrophobicContact CD2-CB 4.44Å; L45-L225 HydrophobicContact CD2-CD2 3.62Å; L45-L225 HydrophobicContact CG-CD2 4.08Å; A47-L225 HydrophobicContact CB-CD1 4.06Å; A47-L225 HydrophobicContact CB-CD2 4.26Å; F52-L225 HydrophobicContact CD1-CD2 4.18Å; F52-L225 HydrophobicContact CE1-CD2 3.7Å; A193-L225 CarbonylContact C-O 3.58Å; A193-L225 WeakPolarHBondContact CA-O 3.43Å; A193-L225 HydrophobicContact CB-CB 4.22Å; A193-L225 WeakPolarHBondContact CB-O 3.24Å; V194-L225 PolarHBondContact N-O 3.28Å; L225-I244 HydrophobicContact CD1-CG2 4.5Å; L225-I244 HydrophobicContact CD2-CG2 4.17Å; L225-I244 HydrophobicContact CG-CG2 4.33Å
226	L	98.4	Very high	95.6	Very high	11 Å²	11	37.4 Å²	37.4	6%	0.058	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	140.1	176.3	-62.3	174.7	0	0	0	110	V194 L196 K214 Q218 I222 E224 V243 I244	V194-L226 HydrophobicContact CB-CD2 4.13Å; V194-L226 WeakPolarHBondContact O-CA 3.25Å; L196-L226 HydrophobicContact CD2-CB 4.3Å; L196-L226 HydrophobicContact CD2-CD1 4.09Å; L196-L226 HydrophobicContact CD2-CD2 3.86Å; L196-L226 HydrophobicContact CD2-CG 4.3Å; K214-L226 HydrophobicContact CG-CD1 4.21Å; Q218-L226 HydrophobicContact CG-CD1 3.87Å; I222-L226 HydrophobicContact CG2-CD2 3.82Å; E224-L226 PolarHBondContact O-N 3.18Å; L226-V243 HydrophobicContact CB-CB 4.5Å; L226-V243 HydrophobicContact CB-CG1 3.96Å; L226-V243 HydrophobicContact CB-CG2 4.14Å; L226-V243 WeakPolarHBondContact O-CG1 3.36Å; L226-I244 WeakPolarHBondContact O-CG2 3.47Å; L226-I244 PolarHBondContact O-N 2.79Å
227	L	98.3	Very high	95.2	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	158.5	176.3	66.4	90.1	0	0	0	113.7	I130 A193 V194 Q195 L196 V243 I244 T246 M272	I130-L227 HydrophobicContact CG2-CD2 4.19Å; A193-L227 HydrophobicContact CB-CD2 3.96Å; V194-L227 PolarHBondContact O-N 3.24Å; Q195-L227 WeakPolarHBondContact CA-O 3.41Å; Q195-L227 HydrophobicContact CB-CD1 3.7Å; Q195-L227 HydrophobicContact CB-CG 4.26Å; Q195-L227 HydrophobicContact CG-CD1 3.77Å; L196-L227 PolarHBondContact N-O 3.41Å; L227-V243 VanDerWaalsContact C-CG1 3.48Å; L227-V243 VanDerWaalsContact CA-CG1 3.47Å; L227-I244 CarbonylContact C-O 3.07Å; L227-I244 WeakPolarHBondContact CA-O 3.32Å; L227-I244 HydrophobicContact CB-CG2 3.51Å; L227-T246 HydrophobicContact CB-CG2 4.4Å; L227-M272 HydrophobicContact CD1-CE 3.42Å; L227-M272 VanDerWaalsContact CD1-CE 3.42Å; L227-M272 HydrophobicContact CD1-CG 4.41Å; L227-M272 HydrophobicContact CD2-CE 3.31Å; L227-M272 HydrophobicContact CG-CE 4Å
228	T	98.1	Very high	94.8	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	156.2	163.2	66.8	0	0	0	0	109.5	L196 M210 V240 V243 I244 T246	L196-T228 HydrophobicContact CD1-CG2 4.4Å; M210-T228 HydrophobicContact CE-CG2 3.73Å; T228-V240 HydrophobicContact CG2-CG2 4.25Å; T228-V243 HydrophobicContact CG2-CG1 3.86Å; T228-I244 PolarHBondContact N-O 2.93Å; T228-T246 WeakPolarHBondContact O-CB 2.96Å; T228-T246 PolarHBondContact O-N 3.1Å; T228-T246 PolarHBondContact O-OG1 3.31Å
229	S	97.4	Very high	94.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	133.6	172.7	69.5	0	0	0	0	110.6	R132 Q195 E199 T246 N248	R132-S229 PolarHBondContact NH2-OG 2.85Å; Q195-S229 VanDerWaalsContact NE2-CB 3.28Å; Q195-S229 PolarHBondContact NE2-OG 3.28Å; E199-S229 VanDerWaalsContact CA-O 3.23Å; E199-S229 WeakPolarHBondContact CA-O 3.39Å; E199-S229 PolarHBondContact N-O 3.31Å; E199-S229 VanDerWaalsContact N-O 3.09Å; S229-T246 WeakPolarHBondContact CA-OG1 3.39Å; S229-T246 VanDerWaalsContact CB-OG1 3.27Å; S229-T246 WeakPolarHBondContact CB-OG1 3.4Å; S229-N248 WeakPolarHBondContact CB-OD1 3.34Å; S229-N248 PolarHBondContact OG-ND2 3.4Å
230	D	96.8	Very high	94.2	Very high	2 Å²	2	38 Å²	38	1%	0.011	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	150.2	-179.9	-64.3	-86.3	0	0	0	110	E199 Y200 G201 L235 G238 T246 V247 N248	E199-D230 WeakPolarHBondContact CA-OD1 3.24Å; Y200-D230 PolarHBondContact N-OD1 3Å; G201-D230 WeakPolarHBondContact CA-OD1 3.27Å; G201-D230 PolarHBondContact N-OD1 3.2Å; D230-L235 HydrophobicContact CB-CB 4.44Å; D230-L235 HydrophobicContact CB-CD1 4.34Å; D230-G238 WeakPolarHBondContact OD2-CA 3.24Å; D230-T246 PolarHBondContact N-O 2.87Å; D230-V247 CarbonylContact O-C 3.6Å; D230-V247 WeakPolarHBondContact O-CA 3.16Å; D230-N248 PolarHBondContact O-N 3.08Å
231	N	93.4	Very high	94	Very high	23 Å²	23	41.9 Å²	41.9	12%	0.123	22%	0.219	C	C	.	.			trans	-74.8	179.1	169.5	69.3	18.9	0	0	0	111.7	S202 E233 G234 L235 N248 W275	S202-N231 PolarHBondContact OG-OD1 3.14Å; N231-E233 PolarHBondContact O-N 3.16Å; N231-E233 VanDerWaalsContact O-N 3.16Å; N231-E233 PolarHBondContact OD1-N 3.02Å; N231-E233 VanDerWaalsContact OD1-N 3.13Å; N231-G234 PolarHBondContact O-N 3.35Å; N231-G234 VanDerWaalsContact O-N 3.13Å; N231-G234 PolarHBondContact OD1-N 2.93Å; N231-L235 WeakPolarHBondContact O-CB 3.41Å; N231-L235 PolarHBondContact O-N 2.85Å; N231-N248 HydrophobicContact CB-CB 4.45Å; N231-W275 HydrophobicContact CB-CH2 4.17Å
232	H	89.8	Confident	93.7	Very high	107 Å²	107	44.4 Å²	44.4	50%	0.495	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-44.8	179.3	176.9	66.5	0	0	0	113.6	D256	H232-D256 IonicContact CE1-OD1 2.88Å; H232-D256 IonicContact CG-OD1 2.65Å; H232-D256 IonicContact ND1-OD1 2.94Å; H232-D256 PolarHBondContact ND1-OD1 3.36Å; H232-D256 IonicContact ND1-OD2 2.67Å
233	E	87	Confident	93.6	Very high	154 Å²	154	45 Å²	45	72%	0.72	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-38.6	-176.1	-59.7	-175.6	165.3	0	0	111.9	N231	N231-E233 PolarHBondContact O-N 3.16Å; N231-E233 VanDerWaalsContact O-N 3.16Å; N231-E233 PolarHBondContact OD1-N 3.02Å; N231-E233 VanDerWaalsContact OD1-N 3.13Å
234	G	91.3	Very high	93.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-20.5	-176.6	0	0	0	0	0	115.2	G201 N231 K236 E237 G238	G201-G234 WeakPolarHBondContact CA-O 3.43Å; N231-G234 PolarHBondContact O-N 3.35Å; N231-G234 VanDerWaalsContact O-N 3.13Å; N231-G234 PolarHBondContact OD1-N 2.93Å; G234-K236 PolarHBondContact O-N 2.91Å; G234-E237 PolarHBondContact O-N 3.45Å; G234-G238 PolarHBondContact O-N 3.3Å
235	L	89.3	Confident	93.7	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.01	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-25.8	-167.5	-167	59.4	0	0	0	114.9	D230 N231 R245 V247 Y259	D230-L235 HydrophobicContact CB-CB 4.44Å; D230-L235 HydrophobicContact CB-CD1 4.34Å; N231-L235 WeakPolarHBondContact O-CB 3.41Å; N231-L235 PolarHBondContact O-N 2.85Å; L235-R245 PolarHBondContact O-NH1 2.93Å; L235-V247 HydrophobicContact CD2-CG2 4.44Å; L235-Y259 HydrophobicContact CB-CE1 4.35Å; L235-Y259 HydrophobicContact CD2-CD1 3.63Å; L235-Y259 HydrophobicContact CD2-CE1 4.19Å; L235-Y259 HydrophobicContact CG-CD1 3.86Å; L235-Y259 HydrophobicContact CG-CE1 3.87Å
236	K	88.8	Confident	93.6	Very high	136 Å²	136	42.3 Å²	42.3	59%	0.591	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-42.3	177.2	-65	179.9	-179	172.3	0	112.7	G234 R245 Y259	G234-K236 PolarHBondContact O-N 2.91Å; K236-R245 PolarHBondContact O-NH1 3.43Å; K236-Y259 WeakPolarHBondContact CA-OH 3.49Å; K236-Y259 HydrophobicContact CG-CE1 4.09Å; K236-Y259 HydrophobicContact CG-CE2 4.15Å
237	E	91.1	Very high	93.5	Very high	128 Å²	128	42 Å²	42	60%	0.598	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-19.8	-169.2	-59.2	-58.6	140.1	0	0	113.3	A204 G234 G239	A204-E237 HydrophobicContact CB-CB 3.74Å; A204-E237 HydrophobicContact CB-CG 4.32Å; G234-E237 PolarHBondContact O-N 3.45Å; E237-G239 PolarHBondContact O-N 3.3Å
238	G	89.1	Confident	93.5	Very high	0 Å²	0	42 Å²	42	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-82.7	-4.9	-171.9	0	0	0	0	0	116.4	D230 G234	D230-G238 WeakPolarHBondContact OD2-CA 3.24Å; G234-G238 PolarHBondContact O-N 3.3Å
239	G	91.2	Very high	93.3	Very high	20 Å²	20	42.4 Å²	42.4	21%	0.206	23%	0.231	C	C	.	.			trans	-91.1	158.3	-171.6	0	0	0	0	0	116.1	E237 R245	E237-G239 PolarHBondContact O-N 3.3Å; G239-R245 VanDerWaalsContact CA-CZ 3.48Å
240	V	94.6	Very high	93.1	Very high	15 Å²	15	44 Å²	44	9%	0.091	24%	0.239	C	C	.	.			trans	-131.2	140.7	-177.7	-173.2	0	0	0	0	110.5	L196 M210 K214 T228 G242 V243	L196-V240 HydrophobicContact CD1-CB 4.32Å; L196-V240 HydrophobicContact CD1-CG2 4.15Å; M210-V240 HydrophobicContact CB-CG2 3.48Å; M210-V240 VanDerWaalsContact CB-CG2 3.48Å; M210-V240 HydrophobicContact CE-CG2 3.83Å; M210-V240 HydrophobicContact CG-CG2 4.31Å; K214-V240 HydrophobicContact CD-CG1 3.78Å; T228-V240 HydrophobicContact CG2-CG2 4.25Å; V240-G242 PolarHBondContact O-N 2.92Å; V240-V243 HydrophobicContact CB-CB 4.17Å; V240-V243 HydrophobicContact CB-CG2 3.93Å; V240-V243 HydrophobicContact CG1-CG2 4.11Å; V240-V243 WeakPolarHBondContact O-CB 3.47Å; V240-V243 PolarHBondContact O-N 3.4Å
241	T	93.2	Very high	92.8	Very high	130 Å²	130	48.4 Å²	48.4	80%	0.798	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	132.4	178.4	-60	0	0	0	0	111.5	K214 V243	K214-T241 PolarHBondContact NZ-O 2.97Å; T241-V243 VanDerWaalsContact C-N 3.33Å
242	G	92.4	Very high	92.6	Very high	74 Å²	74	48.6 Å²	48.6	76%	0.763	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.7	17.9	178.8	0	0	0	0	0	114.8	V240	V240-G242 PolarHBondContact O-N 2.92Å
243	V	96.4	Very high	92.5	Very high	13 Å²	13	46.8 Å²	46.8	8%	0.079	25%	0.253	C	S	.	.	S	Bend	trans	-127.5	133.2	-179.5	-178.8	0	0	0	0	107.2	L196 K214 L226 L227 T228 V240 T241	L196-V243 HydrophobicContact CD1-CB 4.35Å; L196-V243 HydrophobicContact CD1-CG1 3.85Å; L196-V243 HydrophobicContact CD1-CG2 3.71Å; L196-V243 HydrophobicContact CG-CG1 4.2Å; K214-V243 HydrophobicContact CD-CG2 3.91Å; L226-V243 HydrophobicContact CB-CB 4.5Å; L226-V243 HydrophobicContact CB-CG1 3.96Å; L226-V243 HydrophobicContact CB-CG2 4.14Å; L226-V243 WeakPolarHBondContact O-CG1 3.36Å; L227-V243 VanDerWaalsContact C-CG1 3.48Å; L227-V243 VanDerWaalsContact CA-CG1 3.47Å; T228-V243 HydrophobicContact CG2-CG1 3.86Å; V240-V243 HydrophobicContact CB-CB 4.17Å; V240-V243 HydrophobicContact CB-CG2 3.93Å; V240-V243 HydrophobicContact CG1-CG2 4.11Å; V240-V243 WeakPolarHBondContact O-CB 3.47Å; V240-V243 PolarHBondContact O-N 3.4Å; T241-V243 VanDerWaalsContact C-N 3.33Å
244	I	96.6	Very high	92.6	Very high	14 Å²	14	44 Å²	44	7%	0.072	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	136.8	-179.3	-171.9	160.5	0	0	0	110.4	A47 F52 L225 L226 L227 T228 P268	A47-I244 HydrophobicContact CB-CD1 3.7Å; F52-I244 HydrophobicContact CE1-CD1 4.1Å; F52-I244 HydrophobicContact CZ-CD1 4.11Å; L225-I244 HydrophobicContact CD1-CG2 4.5Å; L225-I244 HydrophobicContact CD2-CG2 4.17Å; L225-I244 HydrophobicContact CG-CG2 4.33Å; L226-I244 WeakPolarHBondContact O-CG2 3.47Å; L226-I244 PolarHBondContact O-N 2.79Å; L227-I244 CarbonylContact C-O 3.07Å; L227-I244 WeakPolarHBondContact CA-O 3.32Å; L227-I244 HydrophobicContact CB-CG2 3.51Å; T228-I244 PolarHBondContact N-O 2.93Å; I244-P268 HydrophobicContact CD1-CG 3.81Å
245	R	96.3	Very high	92.6	Very high	54 Å²	54	45.7 Å²	45.7	20%	0.204	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	139.3	175.6	-58.2	177	-174.7	-144.3	0.7	109	L235 K236 G239 L260 I263 Q264	L235-R245 PolarHBondContact O-NH1 2.93Å; K236-R245 PolarHBondContact O-NH1 3.43Å; G239-R245 VanDerWaalsContact CA-CZ 3.48Å; R245-L260 HydrophobicContact CB-CD1 3.95Å; R245-I263 VanDerWaalsContact CD-CD1 3.45Å; R245-Q264 PolarHBondContact O-NE2 3.38Å; R245-Q264 PolarHBondContact O-OE1 2.9Å; R245-Q264 VanDerWaalsContact O-OE1 3.14Å
246	T	97	Very high	92.6	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.006	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	162	176.3	65.5	0	0	0	0	109.1	L227 T228 S229 D230 M270 M272	L227-T246 HydrophobicContact CB-CG2 4.4Å; T228-T246 WeakPolarHBondContact O-CB 2.96Å; T228-T246 PolarHBondContact O-N 3.1Å; T228-T246 PolarHBondContact O-OG1 3.31Å; S229-T246 WeakPolarHBondContact CA-OG1 3.39Å; S229-T246 VanDerWaalsContact CB-OG1 3.27Å; S229-T246 WeakPolarHBondContact CB-OG1 3.4Å; D230-T246 PolarHBondContact N-O 2.87Å; T246-M270 WeakPolarHBondContact CB-O 3.33Å; T246-M270 HydrophobicContact CG2-CB 3.88Å; T246-M270 HydrophobicContact CG2-CG 4.35Å; T246-M272 WeakPolarHBondContact OG1-CB 3.42Å
247	V	96.5	Very high	92.7	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.03	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	146.1	-175.9	66	0	0	0	0	111.4	D230 L235 L249 D256 M270 V271 M272	D230-V247 CarbonylContact O-C 3.6Å; D230-V247 WeakPolarHBondContact O-CA 3.16Å; L235-V247 HydrophobicContact CD2-CG2 4.44Å; V247-L249 HydrophobicContact CG1-CD2 3.79Å; V247-L249 HydrophobicContact CG1-CG 4.42Å; V247-L249 HydrophobicContact CG2-CD2 4Å; V247-D256 HydrophobicContact CG2-CB 4.34Å; V247-M270 PolarHBondContact N-O 3.31Å; V247-M270 VanDerWaalsContact N-O 3.15Å; V247-V271 HydrophobicContact CG1-CG2 4.01Å; V247-V271 CarbonylContact O-C 3.55Å; V247-V271 VanDerWaalsContact O-CA 3.24Å; V247-V271 WeakPolarHBondContact O-CA 3.05Å; V247-M272 PolarHBondContact O-N 2.93Å
248	N	97	Very high	92.7	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.011	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	128.5	170.5	-65.5	-10.5	0	0	0	109.5	E199 S229 D230 N231 E273 W275	E199-N248 VanDerWaalsContact CG-ND2 3.33Å; E199-N248 WeakPolarHBondContact CG-ND2 3.34Å; E199-N248 WeakPolarHBondContact OE1-CB 3.39Å; E199-N248 PolarHBondContact OE1-ND2 2.74Å; S229-N248 WeakPolarHBondContact CB-OD1 3.34Å; S229-N248 PolarHBondContact OG-ND2 3.4Å; D230-N248 PolarHBondContact O-N 3.08Å; N231-N248 HydrophobicContact CB-CB 4.45Å; N248-E273 WeakPolarHBondContact CA-O 3.38Å; N248-E273 HydrophobicContact CB-CB 3.96Å; N248-E273 WeakPolarHBondContact OD1-CB 3.44Å; N248-E273 WeakPolarHBondContact OD1-CG 3.29Å; N248-E273 PolarHBondContact OD1-N 3.28Å; N248-W275 HydrophobicContact CB-CH2 4.34Å; N248-W275 HydrophobicContact CB-CZ2 3.85Å
249	L	94.9	Very high	92.8	Very high	10 Å²	10	45 Å²	45	5%	0.052	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	157	-176.3	52.9	80.9	0	0	0	112.2	V247 L252 V271 E273 C274 W275 I301	V247-L249 HydrophobicContact CG1-CD2 3.79Å; V247-L249 HydrophobicContact CG1-CG 4.42Å; V247-L249 HydrophobicContact CG2-CD2 4Å; L249-L252 HydrophobicContact CD1-CD2 4.22Å; L249-L252 HydrophobicContact CD2-CD2 3.92Å; L249-V271 HydrophobicContact CD1-CG1 3.85Å; L249-V271 HydrophobicContact CD1-CG2 4.14Å; L249-V271 HydrophobicContact CD2-CG2 4.33Å; L249-V271 HydrophobicContact CG-CG1 3.91Å; L249-V271 HydrophobicContact CG-CG2 4.31Å; L249-E273 PolarHBondContact N-O 3.1Å; L249-E273 VanDerWaalsContact O-O 3.06Å; L249-C274 VanDerWaalsContact O-CA 3.28Å; L249-C274 WeakPolarHBondContact O-CA 3.26Å; L249-W275 PolarHBondContact O-N 3.04Å; L249-W275 VanDerWaalsContact O-N 3.13Å; L249-I301 HydrophobicContact CD1-CD1 4.1Å
250	Q	93.1	Very high	92.8	Very high	33 Å²	33	44 Å²	44	15%	0.154	24%	0.242	C	C	.	.	S	Bend	trans	-95.4	-39.1	166.1	-173.4	174	76.8	0	0	111.7	W275 L289	Q250-W275 HydrophobicContact CB-CB 4.28Å; Q250-W275 HydrophobicContact CB-CE3 4.08Å; Q250-L289 HydrophobicContact CG-CD2 4.17Å
251	K	90.9	Very high	92.7	Very high	95 Å²	95	47.5 Å²	47.5	41%	0.413	26%	0.26	S	S	.	.	S	Bend	trans	-125.4	143.5	-179.9	-66.8	173.9	-176.1	166	0	109.4	N253 Q634	K251-N253 PolarHBondContact O-N 3.06Å; K251-Q634 PolarHBondContact NZ-OXT 3.49Å
252	L	87.8	Confident	92.6	Very high	28 Å²	28	44.9 Å²	44.9	15%	0.147	25%	0.252	C	S	.	.			trans	-65.8	130.3	-179.7	-84.5	-179.2	0	0	0	111.4	L249 I257 E300 I301 M306	L249-L252 HydrophobicContact CD1-CD2 4.22Å; L249-L252 HydrophobicContact CD2-CD2 3.92Å; L252-I257 HydrophobicContact CD1-CD1 4.47Å; L252-I257 HydrophobicContact CD2-CD1 3.97Å; L252-I257 HydrophobicContact CD2-CG1 4.46Å; L252-E300 HydrophobicContact CD1-CB 3.9Å; L252-E300 HydrophobicContact CD1-CG 3.63Å; L252-I301 HydrophobicContact CD1-CB 4.44Å; L252-I301 HydrophobicContact CD1-CG1 3.68Å; L252-I301 HydrophobicContact CD2-CD1 4.44Å; L252-I301 HydrophobicContact CD2-CG1 3.68Å; L252-I301 HydrophobicContact CG-CD1 4.4Å; L252-I301 HydrophobicContact CG-CG1 3.59Å; L252-M306 HydrophobicContact CD2-CE 4.5Å; L252-M306 HydrophobicContact CD2-SD 4.33Å
253	N	87.8	Confident	92.5	Very high	68 Å²	68	44.2 Å²	44.2	36%	0.364	23%	0.23	S	C	.	.			trans	-112	121.3	172.7	-176.3	-28.2	0	0	0	109.6	K251 G255 D256 I257	K251-N253 PolarHBondContact O-N 3.06Å; N253-G255 PolarHBondContact O-N 3.23Å; N253-G255 WeakPolarHBondContact OD1-CA 3.44Å; N253-G255 PolarHBondContact OD1-N 2.71Å; N253-D256 HydrophobicContact CB-CB 4.28Å; N253-D256 WeakPolarHBondContact CB-OD2 3.21Å; N253-D256 PolarHBondContact O-N 2.78Å; N253-I257 PolarHBondContact O-N 3.43Å
254	Q	89.3	Confident	92.3	Very high	97 Å²	97	44.5 Å²	44.5	45%	0.453	23%	0.231	S	C	.	.	H	α-helix	trans	-62.9	-28.7	179.4	-69.6	-77	22	0	0	113	K258	Q254-K258 WeakPolarHBondContact O-CB 3.36Å; Q254-K258 VanDerWaalsContact O-CG 3.24Å; Q254-K258 WeakPolarHBondContact O-CG 3.35Å; Q254-K258 PolarHBondContact O-N 3.42Å
255	G	90.4	Very high	91.9	Very high	35 Å²	35	47.6 Å²	47.6	36%	0.361	25%	0.252	S	S	.	.	H	α-helix	trans	-62.8	-45.7	174	0	0	0	0	0	111.7	N253 K258 Y259	N253-G255 PolarHBondContact O-N 3.23Å; N253-G255 WeakPolarHBondContact OD1-CA 3.44Å; N253-G255 PolarHBondContact OD1-N 2.71Å; G255-K258 PolarHBondContact O-N 3.06Å; G255-Y259 WeakPolarHBondContact O-CB 3.41Å; G255-Y259 PolarHBondContact O-N 3Å
256	D	89.7	Confident	91.5	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.053	27%	0.274	C	S	.	.	H	α-helix	trans	-65.5	-43.4	179.4	-66.8	-26.7	0	0	0	111.9	H232 V247 N253 K258 Y259 L260	H232-D256 IonicContact CE1-OD1 2.88Å; H232-D256 IonicContact CG-OD1 2.65Å; H232-D256 IonicContact ND1-OD1 2.94Å; H232-D256 PolarHBondContact ND1-OD1 3.36Å; H232-D256 IonicContact ND1-OD2 2.67Å; V247-D256 HydrophobicContact CG2-CB 4.34Å; N253-D256 HydrophobicContact CB-CB 4.28Å; N253-D256 WeakPolarHBondContact CB-OD2 3.21Å; N253-D256 PolarHBondContact O-N 2.78Å; D256-K258 PolarHBondContact O-N 3.1Å; D256-Y259 PolarHBondContact O-N 3.17Å; D256-L260 WeakPolarHBondContact O-CB 3.46Å; D256-L260 PolarHBondContact O-N 3.4Å
257	I	90.6	Very high	91.3	Very high	23 Å²	23	52.7 Å²	52.7	12%	0.118	29%	0.286	C	S	.	.	H	α-helix	trans	-60.2	-47.2	176	-63.8	173.4	0	0	0	110.6	L252 N253 Y259 L260 N261 M269	L252-I257 HydrophobicContact CD1-CD1 4.47Å; L252-I257 HydrophobicContact CD2-CD1 3.97Å; L252-I257 HydrophobicContact CD2-CG1 4.46Å; N253-I257 PolarHBondContact O-N 3.43Å; I257-Y259 VanDerWaalsContact C-N 3.35Å; I257-L260 PolarHBondContact O-N 2.93Å; I257-N261 WeakPolarHBondContact O-CB 3.38Å; I257-N261 PolarHBondContact O-N 3.01Å; I257-M269 HydrophobicContact CG2-CE 4.26Å; I257-M269 HydrophobicContact CG2-SD 3.98Å
258	K	92.1	Very high	91.3	Very high	148 Å²	148	52.5 Å²	52.5	64%	0.643	29%	0.285	S	S	*	.	H	α-helix	trans	-62.8	-42.8	178.4	-76	175.6	-176.3	-178.6	0	111.5	Q254 G255 D256 N261 A262	Q254-K258 WeakPolarHBondContact O-CB 3.36Å; Q254-K258 VanDerWaalsContact O-CG 3.24Å; Q254-K258 WeakPolarHBondContact O-CG 3.35Å; Q254-K258 PolarHBondContact O-N 3.42Å; G255-K258 PolarHBondContact O-N 3.06Å; D256-K258 PolarHBondContact O-N 3.1Å; K258-N261 PolarHBondContact O-N 3.45Å; K258-A262 WeakPolarHBondContact O-CB 3.35Å; K258-A262 PolarHBondContact O-N 2.7Å
259	Y	91.2	Very high	91.2	Very high	69 Å²	69	54 Å²	54	27%	0.271	29%	0.292	S	S	.	.	H	α-helix	trans	-63.9	-48	178.4	-179.6	-102.7	0	0	0	111.3	L235 K236 G255 D256 I257 N261 A262 I263	L235-Y259 HydrophobicContact CB-CE1 4.35Å; L235-Y259 HydrophobicContact CD2-CD1 3.63Å; L235-Y259 HydrophobicContact CD2-CE1 4.19Å; L235-Y259 HydrophobicContact CG-CD1 3.86Å; L235-Y259 HydrophobicContact CG-CE1 3.87Å; K236-Y259 WeakPolarHBondContact CA-OH 3.49Å; K236-Y259 HydrophobicContact CG-CE1 4.09Å; K236-Y259 HydrophobicContact CG-CE2 4.15Å; G255-Y259 WeakPolarHBondContact O-CB 3.41Å; G255-Y259 PolarHBondContact O-N 3Å; D256-Y259 PolarHBondContact O-N 3.17Å; I257-Y259 VanDerWaalsContact C-N 3.35Å; Y259-N261 VanDerWaalsContact C-N 3.32Å; Y259-N261 PolarHBondContact O-N 3.31Å; Y259-A262 WeakPolarHBondContact O-CB 3.45Å; Y259-A262 PolarHBondContact O-N 3.12Å; Y259-I263 HydrophobicContact CD1-CD1 3.96Å; Y259-I263 HydrophobicContact CD2-CG2 4.35Å; Y259-I263 HydrophobicContact CE1-CD1 3.52Å; Y259-I263 HydrophobicContact CE1-CG2 4.07Å; Y259-I263 HydrophobicContact CE2-CG2 3.81Å; Y259-I263 PolarHBondContact O-N 3.23Å
260	L	91.1	Very high	91.3	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-59.6	-43.3	177.6	-168.6	63.6	0	0	0	111.1	R245 D256 I257 A262 I263 Q264 M269	R245-L260 HydrophobicContact CB-CD1 3.95Å; D256-L260 WeakPolarHBondContact O-CB 3.46Å; D256-L260 PolarHBondContact O-N 3.4Å; I257-L260 PolarHBondContact O-N 2.93Å; L260-A262 VanDerWaalsContact C-N 3.29Å; L260-A262 PolarHBondContact O-N 2.98Å; L260-I263 HydrophobicContact CD1-CD1 4.15Å; L260-I263 HydrophobicContact CD1-CG1 4.42Å; L260-I263 WeakPolarHBondContact O-CG1 3.42Å; L260-I263 PolarHBondContact O-N 3.25Å; L260-Q264 HydrophobicContact CD1-CG 3.9Å; L260-Q264 HydrophobicContact CG-CG 4.08Å; L260-Q264 WeakPolarHBondContact O-CG 3.48Å; L260-Q264 PolarHBondContact O-N 2.84Å; L260-M269 HydrophobicContact CD2-CB 4.27Å; L260-M269 HydrophobicContact CD2-CG 3.99Å
261	N	91.5	Very high	91.6	Very high	87 Å²	87	52.1 Å²	52.1	47%	0.465	28%	0.283	S	S	.	.	H	α-helix	trans	-62.6	-34.8	175.3	-165.8	53.5	0	0	0	113.1	I257 K258 Y259 P265 M269	I257-N261 WeakPolarHBondContact O-CB 3.38Å; I257-N261 PolarHBondContact O-N 3.01Å; K258-N261 PolarHBondContact O-N 3.45Å; Y259-N261 VanDerWaalsContact C-N 3.32Å; Y259-N261 PolarHBondContact O-N 3.31Å; N261-P265 WeakPolarHBondContact O-CA 3.31Å; N261-M269 HydrophobicContact CB-CE 3.59Å
262	A	92.3	Very high	91.9	Very high	76 Å²	76	47.6 Å²	47.6	63%	0.628	26%	0.263	S	S	*	.	H	α-helix	trans	-71.7	-37.4	180	0	0	0	0	0	112.7	K258 Y259 L260	K258-A262 WeakPolarHBondContact O-CB 3.35Å; K258-A262 PolarHBondContact O-N 2.7Å; Y259-A262 WeakPolarHBondContact O-CB 3.45Å; Y259-A262 PolarHBondContact O-N 3.12Å; L260-A262 VanDerWaalsContact C-N 3.29Å; L260-A262 PolarHBondContact O-N 2.98Å
263	I	90.6	Very high	92.4	Very high	60 Å²	60	46.6 Å²	46.6	31%	0.308	26%	0.258	S	S	.	.	H	α-helix	trans	-86.9	-23	-177.6	69.4	-173.5	0	0	0	113.8	R245 Y259 L260	R245-I263 VanDerWaalsContact CD-CD1 3.45Å; Y259-I263 HydrophobicContact CD1-CD1 3.96Å; Y259-I263 HydrophobicContact CD2-CG2 4.35Å; Y259-I263 HydrophobicContact CE1-CD1 3.52Å; Y259-I263 HydrophobicContact CE1-CG2 4.07Å; Y259-I263 HydrophobicContact CE2-CG2 3.81Å; Y259-I263 PolarHBondContact O-N 3.23Å; L260-I263 HydrophobicContact CD1-CD1 4.15Å; L260-I263 HydrophobicContact CD1-CG1 4.42Å; L260-I263 WeakPolarHBondContact O-CG1 3.42Å; L260-I263 PolarHBondContact O-N 3.25Å
264	Q	91.9	Very high	92.9	Very high	18 Å²	18	43.4 Å²	43.4	8%	0.084	24%	0.241	C	C	.	.	S	Bend	trans	-135.4	66.4	176.7	55.5	174.5	63.5	0	0	111.2	R245 L260 N266 S267 P268	R245-Q264 PolarHBondContact O-NE2 3.38Å; R245-Q264 PolarHBondContact O-OE1 2.9Å; R245-Q264 VanDerWaalsContact O-OE1 3.14Å; L260-Q264 HydrophobicContact CD1-CG 3.9Å; L260-Q264 HydrophobicContact CG-CG 4.08Å; L260-Q264 WeakPolarHBondContact O-CG 3.48Å; L260-Q264 PolarHBondContact O-N 2.84Å; Q264-N266 PolarHBondContact O-N 3.18Å; Q264-S267 WeakPolarHBondContact O-CB 3.29Å; Q264-S267 PolarHBondContact O-N 2.93Å; Q264-P268 PolarHBondContact NE2-O 3.03Å
265	P	88.9	Confident	93.3	Very high	79 Å²	79	40.9 Å²	40.9	51%	0.513	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	138.5	-178	27.3	-34.9	0	0	0	110.5	N261 S267	N261-P265 WeakPolarHBondContact O-CA 3.31Å; P265-S267 PolarHBondContact O-N 3.37Å
266	N	87.3	Confident	93.6	Very high	128 Å²	128	39.2 Å²	39.2	68%	0.684	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	11.8	-178.7	-46.5	-55.6	0	0	0	115.6	S49 S50 Q264	S49-N266 CarbonylContact C-O 2.93Å; S49-N266 WeakPolarHBondContact CA-O 3.42Å; S49-N266 VanDerWaalsContact O-O 3.05Å; S50-N266 PolarHBondContact N-O 3.39Å; Q264-N266 PolarHBondContact O-N 3.18Å
267	S	92.9	Very high	94	Very high	34 Å²	34	38.8 Å²	38.8	24%	0.238	21%	0.208	C	C	.	.	S	Bend	trans	-88.8	154.9	168.3	-66.2	0	0	0	0	110.8	S49 Q264 P265	S49-S267 CarbonylContact O-C 3.5Å; Q264-S267 WeakPolarHBondContact O-CB 3.29Å; Q264-S267 PolarHBondContact O-N 2.93Å; P265-S267 PolarHBondContact O-N 3.37Å
268	P	95.6	Very high	94.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.013	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-67.5	152.4	173.2	30.1	-31.6	0	0	0	110.5	A47 S49 F52 I244 Q264	A47-P268 HydrophobicContact CB-CG 3.74Å; A47-P268 WeakPolarHBondContact O-CD 3.28Å; S49-P268 WeakPolarHBondContact O-CD 3.46Å; F52-P268 HydrophobicContact CD1-CB 4.24Å; F52-P268 HydrophobicContact CD1-CG 3.5Å; F52-P268 VanDerWaalsContact CD1-CG 3.5Å; F52-P268 HydrophobicContact CD2-CB 3.64Å; F52-P268 HydrophobicContact CD2-CG 3.83Å; F52-P268 HydrophobicContact CE1-CB 4.27Å; F52-P268 HydrophobicContact CE1-CG 3.4Å; F52-P268 VanDerWaalsContact CE1-CG 3.4Å; F52-P268 HydrophobicContact CE2-CB 3.68Å; F52-P268 HydrophobicContact CE2-CG 3.74Å; F52-P268 HydrophobicContact CG-CB 3.93Å; F52-P268 HydrophobicContact CG-CG 3.71Å; F52-P268 HydrophobicContact CZ-CB 4Å; F52-P268 HydrophobicContact CZ-CG 3.54Å; I244-P268 HydrophobicContact CD1-CG 3.81Å; Q264-P268 PolarHBondContact NE2-O 3.03Å
269	M	95.9	Very high	94.6	Very high	34 Å²	34	35.1 Å²	35.1	17%	0.167	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-103.3	139.1	173.8	-65.5	-176.1	-167.4	0	0	110.2	I257 L260 N261 M306 S307	I257-M269 HydrophobicContact CG2-CE 4.26Å; I257-M269 HydrophobicContact CG2-SD 3.98Å; L260-M269 HydrophobicContact CD2-CB 4.27Å; L260-M269 HydrophobicContact CD2-CG 3.99Å; N261-M269 HydrophobicContact CB-CE 3.59Å; M269-M306 HydrophobicContact CB-CB 4.47Å; M269-M306 HydrophobicContact CB-CE 3.87Å; M269-M306 HydrophobicContact CB-CG 3.94Å; M269-M306 WeakPolarHBondContact O-CA 3.43Å; M269-M306 HydrophobicContact SD-CE 4.45Å; M269-S307 PolarHBondContact O-N 3.02Å
270	M	97	Very high	94.9	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	134.6	176.6	-177.9	170.9	179.3	0	0	110.3	F52 I61 I130 T246 V247 M272 S307 N309	F52-M270 HydrophobicContact CE2-CB 4.05Å; F52-M270 HydrophobicContact CE2-SD 4.46Å; F52-M270 HydrophobicContact CZ-CB 4.27Å; F52-M270 HydrophobicContact CZ-SD 4.49Å; I61-M270 HydrophobicContact CD1-SD 4.07Å; I61-M270 HydrophobicContact CG2-CE 3.85Å; I130-M270 HydrophobicContact CD1-CE 3.8Å; I130-M270 HydrophobicContact CD1-SD 4.46Å; T246-M270 WeakPolarHBondContact CB-O 3.33Å; T246-M270 HydrophobicContact CG2-CB 3.88Å; T246-M270 HydrophobicContact CG2-CG 4.35Å; V247-M270 PolarHBondContact N-O 3.31Å; V247-M270 VanDerWaalsContact N-O 3.15Å; M270-M272 HydrophobicContact CE-CE 3.42Å; M270-M272 VanDerWaalsContact CE-CE 3.42Å; M270-M272 HydrophobicContact CE-SD 3.71Å; M270-M272 HydrophobicContact SD-CE 3.67Å; M270-S307 WeakPolarHBondContact CA-O 3.41Å; M270-N309 HydrophobicContact CE-CB 3.83Å
271	V	98.1	Very high	95.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	108.1	161.1	-178.8	0	0	0	0	107	V247 L249 E273 C274 I301 M306 S307 I308 N309	V247-V271 HydrophobicContact CG1-CG2 4.01Å; V247-V271 CarbonylContact O-C 3.55Å; V247-V271 VanDerWaalsContact O-CA 3.24Å; V247-V271 WeakPolarHBondContact O-CA 3.05Å; L249-V271 HydrophobicContact CD1-CG1 3.85Å; L249-V271 HydrophobicContact CD1-CG2 4.14Å; L249-V271 HydrophobicContact CD2-CG2 4.33Å; L249-V271 HydrophobicContact CG-CG1 3.91Å; L249-V271 HydrophobicContact CG-CG2 4.31Å; V271-E273 WeakPolarHBondContact CG1-O 3.35Å; V271-C274 HydrophobicContact CG1-CB 3.88Å; V271-I301 HydrophobicContact CG2-CD1 4Å; V271-I301 HydrophobicContact CG2-CG1 4.25Å; V271-I301 HydrophobicContact CG2-CG2 4.03Å; V271-M306 HydrophobicContact CG2-CE 3.83Å; V271-S307 PolarHBondContact N-O 3.13Å; V271-I308 HydrophobicContact CB-CG1 4.36Å; V271-I308 CarbonylContact O-C 3.55Å; V271-I308 WeakPolarHBondContact O-CA 3.45Å; V271-N309 PolarHBondContact O-N 3.46Å
272	M	98.3	Very high	95.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-28.1	-177.4	-179.1	55	74.7	0	0	112.2	T92 I130 L227 T246 V247 M270 N309	T92-M272 HydrophobicContact CG2-SD 4.46Å; I130-M272 HydrophobicContact CD1-CE 4.1Å; I130-M272 HydrophobicContact CG2-CE 4.03Å; I130-M272 HydrophobicContact CG2-SD 4.47Å; L227-M272 HydrophobicContact CD1-CE 3.42Å; L227-M272 VanDerWaalsContact CD1-CE 3.42Å; L227-M272 HydrophobicContact CD1-CG 4.41Å; L227-M272 HydrophobicContact CD2-CE 3.31Å; L227-M272 HydrophobicContact CG-CE 4Å; T246-M272 WeakPolarHBondContact OG1-CB 3.42Å; V247-M272 PolarHBondContact O-N 2.93Å; M270-M272 HydrophobicContact CE-CE 3.42Å; M270-M272 VanDerWaalsContact CE-CE 3.42Å; M270-M272 HydrophobicContact CE-SD 3.71Å; M270-M272 HydrophobicContact SD-CE 3.67Å; M272-N309 VanDerWaalsContact O-CB 3.26Å; M272-N309 WeakPolarHBondContact O-CB 3.42Å; M272-N309 PolarHBondContact O-ND2 3.14Å; M272-N309 HydrophobicContact SD-CB 4.25Å
273	E	98.1	Very high	95.7	Very high	7 Å²	7	27.4 Å²	27.4	3%	0.033	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	104.7	167	-60.6	-177.8	-173.3	0	0	108.9	Y94 R132 N248 L249 V271 W275 Y311	Y94-E273 PolarHBondContact OH-OE1 3.44Å; R132-E273 IonicContact CZ-OE1 2.65Å; R132-E273 IonicContact NH1-OE1 2.79Å; R132-E273 PolarHBondContact NH1-OE1 3.38Å; R132-E273 IonicContact NH2-OE1 2.7Å; R132-E273 PolarHBondContact NH2-OE1 3.31Å; N248-E273 WeakPolarHBondContact CA-O 3.38Å; N248-E273 HydrophobicContact CB-CB 3.96Å; N248-E273 WeakPolarHBondContact OD1-CB 3.44Å; N248-E273 WeakPolarHBondContact OD1-CG 3.29Å; N248-E273 PolarHBondContact OD1-N 3.28Å; L249-E273 PolarHBondContact N-O 3.1Å; L249-E273 VanDerWaalsContact O-O 3.06Å; V271-E273 WeakPolarHBondContact CG1-O 3.35Å; E273-W275 PolarHBondContact OE2-NE1 2.9Å; E273-Y311 HydrophobicContact CB-CG 4.29Å; E273-Y311 HydrophobicContact CG-CD2 4.09Å; E273-Y311 HydrophobicContact CG-CG 4.11Å
274	C	98	Very high	95.9	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.014	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	101.3	164.7	-175.7	0	0	0	0	107.6	L249 V271 T276 I308 N309 L310 Y311	L249-C274 VanDerWaalsContact O-CA 3.28Å; L249-C274 WeakPolarHBondContact O-CA 3.26Å; V271-C274 HydrophobicContact CG1-CB 3.88Å; C274-T276 PolarHBondContact O-N 3.39Å; C274-T276 VanDerWaalsContact O-N 3.1Å; C274-I308 HydrophobicContact CB-CD1 3.8Å; C274-I308 HydrophobicContact CB-CG1 3.78Å; C274-N309 PolarHBondContact N-O 2.9Å; C274-L310 HydrophobicContact CB-CD2 4.3Å; C274-Y311 PolarHBondContact O-N 3.11Å
275	W	97.8	Very high	96.2	Very high	44 Å²	44	29.8 Å²	29.8	17%	0.167	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	107.9	-175.6	-58.4	-46.4	0	0	0	111.2	N231 N248 L249 Q250 E273 G277 W278 Y311	N231-W275 HydrophobicContact CB-CH2 4.17Å; N248-W275 HydrophobicContact CB-CH2 4.34Å; N248-W275 HydrophobicContact CB-CZ2 3.85Å; L249-W275 PolarHBondContact O-N 3.04Å; L249-W275 VanDerWaalsContact O-N 3.13Å; Q250-W275 HydrophobicContact CB-CB 4.28Å; Q250-W275 HydrophobicContact CB-CE3 4.08Å; E273-W275 PolarHBondContact OE2-NE1 2.9Å; W275-G277 VanDerWaalsContact C-N 3.34Å; W275-W278 HydrophobicContact CB-CE3 4.48Å; W275-W278 HydrophobicContact CB-CZ3 4.27Å; W275-W278 AromaticContact CD2-CZ3 3.83Å; W275-W278 HydrophobicContact CD2-CZ3 3.83Å; W275-W278 AromaticContact CE3-CZ3 3.94Å; W275-W278 HydrophobicContact CE3-CZ3 3.94Å; W275-W278 AromaticContact CG-CZ3 3.97Å; W275-W278 HydrophobicContact CG-CZ3 3.97Å; W275-Y311 CarbonylContact C-O 3.54Å; W275-Y311 WeakPolarHBondContact CA-O 3.45Å; W275-Y311 AromaticContact CD1-CD1 3.86Å
276	T	97.4	Very high	96.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.144	C	C	.	.			trans	-84.7	-10.1	-173	57.3	0	0	0	0	114.5	C274 M294 L310 Y311 M312 P343 K353	C274-T276 PolarHBondContact O-N 3.39Å; C274-T276 VanDerWaalsContact O-N 3.1Å; T276-M294 HydrophobicContact CG2-CG 4.49Å; T276-L310 HydrophobicContact CG2-CB 3.86Å; T276-L310 HydrophobicContact CG2-CD2 4.03Å; T276-L310 HydrophobicContact CG2-CG 4.4Å; T276-Y311 PolarHBondContact N-O 3.1Å; T276-M312 PolarHBondContact OG1-N 2.85Å; T276-M312 PolarHBondContact OG1-O 3.13Å; T276-P343 HydrophobicContact CG2-CG 4.44Å; T276-K353 PolarHBondContact O-NZ 2.74Å
277	G	97.4	Very high	97.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.121	C	C	.	.	S	Bend	trans	-175.4	-148.6	-178.2	0	0	0	0	0	107.2	W275 Y340 I633	W275-G277 VanDerWaalsContact C-N 3.34Å; G277-Y340 CarbonylContact C-O 3.55Å; G277-Y340 WeakPolarHBondContact CA-O 3.31Å; G277-Y340 VanDerWaalsContact O-CE1 3.31Å; G277-Y340 WeakPolarHBondContact O-CE1 3.39Å; G277-I633 WeakPolarHBondContact O-CD1 3.33Å
278	W	97.8	Very high	97.4	Very high	78 Å²	78	22.8 Å²	22.8	30%	0.295	12%	0.12	S	C	.	.			trans	-154.2	164.2	-180	-152	-113.3	0	0	0	111.9	W275 H287 Y340 I633	W275-W278 HydrophobicContact CB-CE3 4.48Å; W275-W278 HydrophobicContact CB-CZ3 4.27Å; W275-W278 AromaticContact CD2-CZ3 3.83Å; W275-W278 HydrophobicContact CD2-CZ3 3.83Å; W275-W278 AromaticContact CE3-CZ3 3.94Å; W275-W278 HydrophobicContact CE3-CZ3 3.94Å; W275-W278 AromaticContact CG-CZ3 3.97Å; W275-W278 HydrophobicContact CG-CZ3 3.97Å; W278-H287 HydrophobicContact CB-CB 3.78Å; W278-Y340 PolarHBondContact N-O 3.02Å; W278-Y340 VanDerWaalsContact N-O 3.15Å; W278-Y340 CarbonylContact O-C 3.55Å; W278-Y340 VanDerWaalsContact O-CA 3.28Å; W278-Y340 WeakPolarHBondContact O-CA 3.41Å; W278-I633 HydrophobicContact CB-CD1 3.62Å; W278-I633 HydrophobicContact CB-CG2 3.94Å; W278-I633 HydrophobicContact CG-CD1 4.5Å; W278-I633 HydrophobicContact CG-CG2 4.44Å
279	F	97.3	Very high	97.4	Very high	17 Å²	17	23 Å²	23	8%	0.075	12%	0.121	C	C	.	.			trans	-87	163.6	175.1	62.4	-93.5	0	0	0	111.6	E140 H287 L326 L334 Y338 Y340	E140-F279 HydrophobicContact CG-CB 4.17Å; E140-F279 HydrophobicContact CG-CD1 3.34Å; E140-F279 HydrophobicContact CG-CD2 3.97Å; E140-F279 HydrophobicContact CG-CE1 3.57Å; E140-F279 HydrophobicContact CG-CE2 4.19Å; E140-F279 HydrophobicContact CG-CG 3.55Å; E140-F279 HydrophobicContact CG-CZ 3.99Å; F279-H287 PolarHBondContact O-ND1 3.33Å; F279-H287 VanDerWaalsContact O-ND1 3.12Å; F279-L326 HydrophobicContact CE2-CD1 4.16Å; F279-L326 HydrophobicContact CE2-CD2 4.21Å; F279-L326 HydrophobicContact CE2-CG 4.38Å; F279-L326 HydrophobicContact CZ-CD2 4.11Å; F279-L334 HydrophobicContact CD2-CD1 3.91Å; F279-L334 HydrophobicContact CD2-CD2 3.6Å; F279-L334 HydrophobicContact CD2-CG 4.35Å; F279-L334 HydrophobicContact CE2-CD1 4.04Å; F279-L334 HydrophobicContact CE2-CD2 3.52Å; F279-L334 HydrophobicContact CE2-CG 4.45Å; F279-Y338 HydrophobicContact CB-CD2 4.3Å; F279-Y338 HydrophobicContact CB-CE2 3.88Å; F279-Y340 HydrophobicContact CB-CD2 4.21Å; F279-Y340 HydrophobicContact CB-CE2 4.32Å; F279-Y340 HydrophobicContact CD1-CE2 4.25Å
280	D	98	Very high	97.4	Very high	7 Å²	7	22.8 Å²	22.8	4%	0.037	12%	0.124	C	C	.	.			trans	-113.8	159.9	179.8	-56.6	-41.3	0	0	0	113.6	H286 H287 L334 I335 P589	D280-H286 IonicContact OD1-ND1 2.78Å; D280-H286 IonicContact OD2-CE1 2.75Å; D280-H286 IonicContact OD2-CG 3.88Å; D280-H286 IonicContact OD2-ND1 2.62Å; D280-H286 PolarHBondContact OD2-ND1 2.78Å; D280-H287 WeakPolarHBondContact OD1-CB 3.32Å; D280-H287 IonicContact OD1-CE1 3.27Å; D280-H287 IonicContact OD1-CG 3.51Å; D280-H287 PolarHBondContact OD1-N 2.84Å; D280-H287 IonicContact OD1-ND1 3.35Å; D280-H287 PolarHBondContact OD1-ND1 3.11Å; D280-L334 WeakPolarHBondContact O-CA 3.38Å; D280-I335 HydrophobicContact CB-CD1 3.57Å; D280-I335 HydrophobicContact CB-CG1 3.81Å; D280-I335 HydrophobicContact CB-CG2 4.17Å; D280-I335 PolarHBondContact O-N 3.24Å; D280-I335 VanDerWaalsContact O-N 3.11Å; D280-P589 HydrophobicContact CB-CG 3.99Å
281	A	97.6	Very high	97.3	Very high	2 Å²	2	25.8 Å²	25.8	2%	0.017	14%	0.138	C	C	.	.	B	Isolated β-bridge	trans	-122.4	150.1	172.8	0	0	0	0	0	111.1	G283 D284 K332 A333 L334 P589	A281-G283 PolarHBondContact O-N 2.77Å; A281-D284 PolarHBondContact O-N 3.47Å; A281-K332 HydrophobicContact CB-CB 4Å; A281-K332 HydrophobicContact CB-CD 4.31Å; A281-A333 WeakPolarHBondContact CA-O 3.45Å; A281-L334 HydrophobicContact CB-CD2 3.97Å; A281-P589 WeakPolarHBondContact O-CD 3.41Å
282	W	97.6	Very high	97.2	Very high	17 Å²	17	31.1 Å²	31.1	6%	0.064	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	130.6	178.2	-67	106.9	0	0	0	111.2	A333 L334 I335 R583 W585 I587 G588 Q590	W282-A333 PolarHBondContact N-O 3.38Å; W282-L334 PolarHBondContact NE1-O 3.29Å; W282-I335 HydrophobicContact CD2-CB 4.4Å; W282-I335 HydrophobicContact CD2-CG2 3.75Å; W282-I335 HydrophobicContact CE3-CG2 4.09Å; W282-I335 HydrophobicContact CG-CG2 3.99Å; W282-I335 HydrophobicContact CZ2-CB 4.12Å; W282-I335 HydrophobicContact CZ2-CG2 4.34Å; W282-R583 HydrophobicContact CZ2-CB 4.44Å; W282-R583 WeakPolarHBondContact CZ2-O 3.44Å; W282-W585 HydrophobicContact CB-CE3 3.58Å; W282-W585 HydrophobicContact CB-CZ3 3.79Å; W282-W585 HydrophobicContact CD2-CB 4.02Å; W282-W585 HydrophobicContact CD2-CE3 4.08Å; W282-W585 HydrophobicContact CE3-CB 3.65Å; W282-W585 AromaticContact CG-CE3 3.64Å; W282-W585 HydrophobicContact CG-CE3 3.64Å; W282-W585 HydrophobicContact CG-CZ3 4.2Å; W282-W585 HydrophobicContact CH2-CB 4.32Å; W282-W585 HydrophobicContact CZ3-CB 3.81Å; W282-W585 WeakPolarHBondContact CZ3-O 3.48Å; W282-I587 HydrophobicContact CB-CD1 4.07Å; W282-I587 HydrophobicContact CB-CG1 4.38Å; W282-G588 CarbonylContact C-O 3.49Å; W282-G588 VanDerWaalsContact CA-O 3.3Å; W282-G588 WeakPolarHBondContact CA-O 3.33Å; W282-G588 VanDerWaalsContact CE3-O 3.25Å; W282-Q590 HydrophobicContact CH2-CB 4.03Å; W282-Q590 HydrophobicContact CH2-CG 4.31Å; W282-Q590 HydrophobicContact CZ3-CB 4.06Å; W282-Q590 WeakPolarHBondContact CZ3-O 3.24Å
283	G	95.8	Very high	97	Very high	45 Å²	45	34.7 Å²	34.7	46%	0.464	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	-2.9	-178.3	0	0	0	0	0	115.3	A281 G588	A281-G283 PolarHBondContact O-N 2.77Å; G283-G588 PolarHBondContact N-O 2.83Å
284	D	95.8	Very high	96.9	Very high	48 Å²	48	34.6 Å²	34.6	26%	0.257	18%	0.182	S	C	.	.	S	Bend	trans	-94.9	-177.5	173.7	-70.8	-25.8	0	0	0	111.9	A281 K332 P589	A281-D284 PolarHBondContact O-N 3.47Å; D284-K332 IonicContact OD1-NZ 2.67Å; D284-K332 PolarHBondContact OD1-NZ 3.42Å; D284-K332 WeakPolarHBondContact OD2-CD 3.45Å; D284-K332 IonicContact OD2-NZ 2.7Å; D284-K332 PolarHBondContact OD2-NZ 3.36Å; D284-P589 VanDerWaalsContact O-CB 3.26Å; D284-P589 WeakPolarHBondContact O-CB 3.45Å; D284-P589 VanDerWaalsContact O-CD 3.25Å; D284-P589 WeakPolarHBondContact O-CD 3.46Å; D284-P589 WeakPolarHBondContact O-CG 3.28Å
285	L	97.4	Very high	96.8	Very high	79 Å²	79	34.8 Å²	34.8	41%	0.414	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-88.2	158.4	169.1	-63.2	177.4	0	0	0	109.9	H287 M629 V631	L285-H287 PolarHBondContact O-N 3.39Å; L285-M629 WeakPolarHBondContact CB-O 3.32Å; L285-M629 HydrophobicContact CD2-CB 3.86Å; L285-V631 HydrophobicContact CB-CB 3.76Å; L285-V631 HydrophobicContact CB-CG1 3.54Å; L285-V631 HydrophobicContact CD1-CB 3.84Å; L285-V631 HydrophobicContact CD1-CG1 4.43Å; L285-V631 HydrophobicContact CD1-CG2 4.25Å; L285-V631 HydrophobicContact CG-CB 4.46Å
286	H	98.3	Very high	96.8	Very high	18 Å²	18	35.7 Å²	35.7	8%	0.083	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	119.8	176.8	175.2	49.2	0	0	0	110.9	D280 P589 L627 M629 A630 V631	D280-H286 IonicContact OD1-ND1 2.78Å; D280-H286 IonicContact OD2-CE1 2.75Å; D280-H286 IonicContact OD2-CG 3.88Å; D280-H286 IonicContact OD2-ND1 2.62Å; D280-H286 PolarHBondContact OD2-ND1 2.78Å; H286-P589 HydrophobicContact CB-CB 4.27Å; H286-L627 WeakPolarHBondContact CB-O 3.4Å; H286-M629 PolarHBondContact N-O 2.59Å; H286-A630 CarbonylContact O-C 3.59Å; H286-A630 WeakPolarHBondContact O-CA 3.37Å; H286-V631 PolarHBondContact O-N 3.04Å
287	H	97.9	Very high	96.7	Very high	41 Å²	41	36.2 Å²	36.2	19%	0.19	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	126.7	-177.3	-66.3	96.8	0	0	0	111.6	W278 F279 D280 L285 V631 I633	W278-H287 HydrophobicContact CB-CB 3.78Å; F279-H287 PolarHBondContact O-ND1 3.33Å; F279-H287 VanDerWaalsContact O-ND1 3.12Å; D280-H287 WeakPolarHBondContact OD1-CB 3.32Å; D280-H287 IonicContact OD1-CE1 3.27Å; D280-H287 IonicContact OD1-CG 3.51Å; D280-H287 PolarHBondContact OD1-N 2.84Å; D280-H287 IonicContact OD1-ND1 3.35Å; D280-H287 PolarHBondContact OD1-ND1 3.11Å; L285-H287 PolarHBondContact O-N 3.39Å; H287-V631 WeakPolarHBondContact CA-O 3.41Å; H287-I633 HydrophobicContact CB-CG2 3.57Å; H287-I633 WeakPolarHBondContact CD2-CG2 3.28Å
288	V	97.4	Very high	96.7	Very high	36 Å²	36	36.2 Å²	36.2	22%	0.218	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	153.2	174.2	-61	0	0	0	0	110.5	D341 A630 V631 D632 I633	V288-D341 WeakPolarHBondContact CA-OD2 3.43Å; V288-D341 WeakPolarHBondContact CB-OD2 3.49Å; V288-D341 HydrophobicContact CG1-CB 4.4Å; V288-A630 HydrophobicContact CG1-CB 3.89Å; V288-A630 HydrophobicContact CG2-CB 3.97Å; V288-V631 WeakPolarHBondContact CG2-O 3.36Å; V288-V631 PolarHBondContact N-O 3.45Å; V288-D632 CarbonylContact O-C 3.52Å; V288-D632 VanDerWaalsContact O-CA 3.29Å; V288-D632 WeakPolarHBondContact O-CA 3.44Å; V288-I633 WeakPolarHBondContact O-CG1 3.33Å; V288-I633 PolarHBondContact O-N 3.27Å
289	L	96.3	Very high	96.7	Very high	7 Å²	7	37.2 Å²	37.2	4%	0.037	20%	0.204	C	C	.	.			trans	-120.4	125.6	171.3	176.5	61.9	0	0	0	108.7	Q250 Q291 D293 M294 D341 K353 I633	Q250-L289 HydrophobicContact CG-CD2 4.17Å; L289-Q291 PolarHBondContact O-N 3.35Å; L289-D293 HydrophobicContact CD1-CB 4.21Å; L289-M294 HydrophobicContact CD2-CB 3.76Å; L289-M294 HydrophobicContact CD2-CG 4.21Å; L289-M294 HydrophobicContact CG-CB 4.2Å; L289-D341 PolarHBondContact N-OD2 2.99Å; L289-K353 WeakPolarHBondContact O-CE 3.38Å; L289-K353 PolarHBondContact O-NZ 3.4Å; L289-I633 HydrophobicContact CB-CD1 3.88Å; L289-I633 HydrophobicContact CB-CG1 3.85Å; L289-I633 HydrophobicContact CD1-CG1 4.14Å
290	A	96	Very high	96.7	Very high	29 Å²	29	40 Å²	40	24%	0.24	22%	0.218	C	C	.	.			trans	-50.9	130.1	176.5	0	0	0	0	0	111.5	E292 D293 M294	A290-E292 PolarHBondContact O-N 2.8Å; A290-D293 HydrophobicContact CB-CB 4.31Å; A290-D293 PolarHBondContact O-N 3.36Å; A290-D293 VanDerWaalsContact O-N 3.12Å; A290-M294 PolarHBondContact O-N 2.85Å; A290-M294 VanDerWaalsContact O-N 3.11Å
291	Q	95.4	Very high	96.6	Very high	64 Å²	64	39.7 Å²	39.7	30%	0.299	22%	0.216	S	C	.	.	H	α-helix	trans	-59.1	-34.5	-176.7	65.7	-171.2	19.1	0	0	112	L289 V295 K353 L356	L289-Q291 PolarHBondContact O-N 3.35Å; Q291-V295 WeakPolarHBondContact O-CB 3.4Å; Q291-V295 WeakPolarHBondContact O-CG2 3.44Å; Q291-V295 PolarHBondContact O-N 2.97Å; Q291-K353 HydrophobicContact CB-CG 3.82Å; Q291-L356 HydrophobicContact CB-CD1 4.05Å; Q291-L356 HydrophobicContact CG-CD1 3.97Å
292	E	95.1	Very high	96.6	Very high	112 Å²	112	39.7 Å²	39.7	52%	0.523	22%	0.215	S	C	.	.	H	α-helix	trans	-65.9	-42.7	177.9	-65.5	73	-156.5	0	0	111.3	A290 S296	A290-E292 PolarHBondContact O-N 2.8Å; E292-S296 WeakPolarHBondContact O-CB 3.42Å; E292-S296 PolarHBondContact O-N 3.38Å
293	D	95.1	Very high	96.5	Very high	76 Å²	76	48 Å²	48	41%	0.406	25%	0.247	S	C	.	.	H	α-helix	trans	-67.2	-45.7	-179.1	-74.2	-15.6	0	0	0	111	L289 A290 S296 A297	L289-D293 HydrophobicContact CD1-CB 4.21Å; A290-D293 HydrophobicContact CB-CB 4.31Å; A290-D293 PolarHBondContact O-N 3.36Å; A290-D293 VanDerWaalsContact O-N 3.12Å; D293-S296 PolarHBondContact O-N 3.42Å; D293-A297 PolarHBondContact O-N 3.28Å
294	M	96.3	Very high	96.4	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.02	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-51.2	175.8	-176.1	-80.3	-70.8	0	0	111.2	T276 L289 A290 S296 A297 V298 K353 L357	T276-M294 HydrophobicContact CG2-CG 4.49Å; L289-M294 HydrophobicContact CD2-CB 3.76Å; L289-M294 HydrophobicContact CD2-CG 4.21Å; L289-M294 HydrophobicContact CG-CB 4.2Å; A290-M294 PolarHBondContact O-N 2.85Å; A290-M294 VanDerWaalsContact O-N 3.11Å; M294-S296 VanDerWaalsContact C-N 3.28Å; M294-S296 PolarHBondContact O-N 3.01Å; M294-A297 PolarHBondContact O-N 2.67Å; M294-V298 WeakPolarHBondContact O-CG2 3.42Å; M294-V298 PolarHBondContact O-N 3.32Å; M294-V298 HydrophobicContact SD-CG2 3.77Å; M294-K353 HydrophobicContact CE-CB 3.48Å; M294-K353 VanDerWaalsContact CE-CB 3.48Å; M294-K353 HydrophobicContact CE-CD 3.85Å; M294-K353 HydrophobicContact CE-CG 3.58Å; M294-L357 HydrophobicContact CE-CD1 3.63Å; M294-L357 HydrophobicContact CE-CD2 4.18Å; M294-L357 HydrophobicContact CE-CG 3.79Å; M294-L357 HydrophobicContact SD-CD1 4.08Å; M294-L357 HydrophobicContact SD-CD2 3.88Å; M294-L357 HydrophobicContact SD-CG 4.16Å
295	V	96.2	Very high	96.3	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-66.3	-33.9	-178.3	173.3	0	0	0	0	111.2	Q291 R299 L356 L360	Q291-V295 WeakPolarHBondContact O-CB 3.4Å; Q291-V295 WeakPolarHBondContact O-CG2 3.44Å; Q291-V295 PolarHBondContact O-N 2.97Å; V295-R299 WeakPolarHBondContact O-CB 3.48Å; V295-R299 PolarHBondContact O-N 3.28Å; V295-L356 HydrophobicContact CG1-CB 4.44Å; V295-L356 HydrophobicContact CG2-CB 3.56Å; V295-L356 HydrophobicContact CG2-CD1 4Å; V295-L356 HydrophobicContact CG2-CG 4.43Å; V295-L360 HydrophobicContact CG1-CD2 4.43Å
296	S	96.1	Very high	96.2	Very high	63 Å²	63	45 Å²	45	44%	0.441	22%	0.217	S	C	.	.	H	α-helix	trans	-62.8	-48.1	174.1	-171.3	0	0	0	0	111.4	E292 D293 M294 R299 E300	E292-S296 WeakPolarHBondContact O-CB 3.42Å; E292-S296 PolarHBondContact O-N 3.38Å; D293-S296 PolarHBondContact O-N 3.42Å; M294-S296 VanDerWaalsContact C-N 3.28Å; M294-S296 PolarHBondContact O-N 3.01Å; S296-R299 PolarHBondContact O-N 3.26Å; S296-E300 PolarHBondContact O-N 2.88Å
297	A	95.9	Very high	96.2	Very high	11 Å²	11	44.3 Å²	44.3	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-60	-48.4	176.6	0	0	0	0	0	111.7	D293 M294 R299 E300 I301	D293-A297 PolarHBondContact O-N 3.28Å; M294-A297 PolarHBondContact O-N 2.67Å; A297-R299 VanDerWaalsContact C-N 3.35Å; A297-R299 PolarHBondContact O-N 3.3Å; A297-E300 PolarHBondContact O-N 2.65Å; A297-I301 VanDerWaalsContact O-CG1 3.31Å; A297-I301 WeakPolarHBondContact O-CG1 3Å; A297-I301 PolarHBondContact O-N 3.14Å
298	V	97.9	Very high	96.3	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-59.5	-45.3	176.7	174.7	0	0	0	0	111	M294 E300 I301 L302 I308 L310 L357 L360 F361	M294-V298 WeakPolarHBondContact O-CG2 3.42Å; M294-V298 PolarHBondContact O-N 3.32Å; M294-V298 HydrophobicContact SD-CG2 3.77Å; V298-E300 VanDerWaalsContact C-N 3.31Å; V298-E300 PolarHBondContact O-N 3.48Å; V298-I301 PolarHBondContact O-N 2.97Å; V298-L302 HydrophobicContact CG1-CD1 3.98Å; V298-L302 HydrophobicContact CG1-CG 4.35Å; V298-L302 VanDerWaalsContact O-CG 3.3Å; V298-L302 WeakPolarHBondContact O-CG 3.39Å; V298-L302 PolarHBondContact O-N 3.08Å; V298-I308 HydrophobicContact CB-CD1 4.24Å; V298-I308 HydrophobicContact CG1-CD1 3.93Å; V298-I308 HydrophobicContact CG2-CD1 3.87Å; V298-L310 HydrophobicContact CG2-CD2 3.86Å; V298-L357 HydrophobicContact CB-CD2 4.32Å; V298-L357 HydrophobicContact CG1-CD2 4Å; V298-L357 HydrophobicContact CG2-CD2 4.18Å; V298-L360 HydrophobicContact CB-CD2 4.3Å; V298-L360 HydrophobicContact CG1-CD2 3.76Å; V298-F361 HydrophobicContact CG1-CE1 4.18Å; V298-F361 HydrophobicContact CG1-CZ 4.28Å
299	R	97.6	Very high	96.3	Very high	98 Å²	98	40.7 Å²	40.7	37%	0.37	20%	0.195	S	C	.	.	H	α-helix	trans	-60.7	-40.7	177.8	-176.5	-174.7	-62	145.4	-1.3	111.9	V295 S296 A297 L302 R303 L360	V295-R299 WeakPolarHBondContact O-CB 3.48Å; V295-R299 PolarHBondContact O-N 3.28Å; S296-R299 PolarHBondContact O-N 3.26Å; A297-R299 VanDerWaalsContact C-N 3.35Å; A297-R299 PolarHBondContact O-N 3.3Å; R299-L302 PolarHBondContact O-N 3.27Å; R299-R303 WeakPolarHBondContact O-CB 3.23Å; R299-R303 VanDerWaalsContact O-CG 3.29Å; R299-R303 WeakPolarHBondContact O-CG 3.49Å; R299-R303 PolarHBondContact O-N 3.05Å; R299-L360 HydrophobicContact CB-CD1 4.35Å; R299-L360 HydrophobicContact CB-CD2 4.1Å; R299-L360 HydrophobicContact CG-CD1 4.21Å
300	E	96.6	Very high	96.4	Very high	76 Å²	76	40.3 Å²	40.3	36%	0.355	19%	0.193	S	C	.	.	H	α-helix	trans	-64.6	-44.6	177.6	-165.3	-170.8	160.4	0	0	111.7	L252 S296 A297 V298 L302 R303 R304	L252-E300 HydrophobicContact CD1-CB 3.9Å; L252-E300 HydrophobicContact CD1-CG 3.63Å; S296-E300 PolarHBondContact O-N 2.88Å; A297-E300 PolarHBondContact O-N 2.65Å; V298-E300 VanDerWaalsContact C-N 3.31Å; V298-E300 PolarHBondContact O-N 3.48Å; E300-L302 PolarHBondContact O-N 2.77Å; E300-R303 PolarHBondContact O-N 3.38Å; E300-R304 WeakPolarHBondContact O-CG 3.34Å; E300-R304 PolarHBondContact O-N 3.15Å; E300-R304 IonicContact OE1-CZ 2.93Å; E300-R304 IonicContact OE1-NE 3.35Å; E300-R304 PolarHBondContact OE1-NE 3.12Å; E300-R304 IonicContact OE1-NH2 3.51Å; E300-R304 PolarHBondContact OE1-NH2 2.99Å
301	I	96.5	Very high	96.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-56.1	-50.2	175.5	-67	163.3	0	0	0	110.4	L249 L252 V271 A297 V298 R303 R304 M306 I308	L249-I301 HydrophobicContact CD1-CD1 4.1Å; L252-I301 HydrophobicContact CD1-CB 4.44Å; L252-I301 HydrophobicContact CD1-CG1 3.68Å; L252-I301 HydrophobicContact CD2-CD1 4.44Å; L252-I301 HydrophobicContact CD2-CG1 3.68Å; L252-I301 HydrophobicContact CG-CD1 4.4Å; L252-I301 HydrophobicContact CG-CG1 3.59Å; V271-I301 HydrophobicContact CG2-CD1 4Å; V271-I301 HydrophobicContact CG2-CG1 4.25Å; V271-I301 HydrophobicContact CG2-CG2 4.03Å; A297-I301 VanDerWaalsContact O-CG1 3.31Å; A297-I301 WeakPolarHBondContact O-CG1 3Å; A297-I301 PolarHBondContact O-N 3.14Å; V298-I301 PolarHBondContact O-N 2.97Å; I301-R303 PolarHBondContact O-N 2.93Å; I301-R304 PolarHBondContact O-N 3.08Å; I301-M306 HydrophobicContact CG2-CB 3.72Å; I301-M306 HydrophobicContact CG2-SD 4.3Å; I301-M306 WeakPolarHBondContact O-CB 3.42Å; I301-M306 PolarHBondContact O-N 2.97Å; I301-I308 HydrophobicContact CB-CD1 4.41Å; I301-I308 HydrophobicContact CD1-CD1 3.77Å; I301-I308 HydrophobicContact CG2-CB 4.18Å; I301-I308 HydrophobicContact CG2-CD1 4.17Å; I301-I308 HydrophobicContact CG2-CG1 4.39Å
302	L	96.6	Very high	96.7	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-68.6	-35.3	-177.5	-62	174.8	0	0	0	113.2	R60 L62 V298 R299 E300 R304 G305 I308 L360 F361 Y364	R60-L302 PolarHBondContact NH1-O 3.25Å; L62-L302 HydrophobicContact CD2-CD2 3.6Å; V298-L302 HydrophobicContact CG1-CD1 3.98Å; V298-L302 HydrophobicContact CG1-CG 4.35Å; V298-L302 VanDerWaalsContact O-CG 3.3Å; V298-L302 WeakPolarHBondContact O-CG 3.39Å; V298-L302 PolarHBondContact O-N 3.08Å; R299-L302 PolarHBondContact O-N 3.27Å; E300-L302 PolarHBondContact O-N 2.77Å; L302-R304 PolarHBondContact O-N 2.86Å; L302-G305 WeakPolarHBondContact O-CA 3.42Å; L302-G305 PolarHBondContact O-N 2.67Å; L302-I308 HydrophobicContact CD2-CG2 3.94Å; L302-L360 HydrophobicContact CD1-CD2 4.04Å; L302-L360 HydrophobicContact CD1-CG 4.14Å; L302-F361 HydrophobicContact CD1-CD1 4.02Å; L302-F361 HydrophobicContact CD1-CE1 3.8Å; L302-Y364 HydrophobicContact CB-CE1 4.11Å; L302-Y364 HydrophobicContact CB-CE2 4.16Å; L302-Y364 VanDerWaalsContact CB-OH 3.23Å; L302-Y364 WeakPolarHBondContact CB-OH 3.48Å; L302-Y364 HydrophobicContact CD1-CD2 4.11Å; L302-Y364 HydrophobicContact CD1-CE2 3.54Å; L302-Y364 HydrophobicContact CG-CE2 4.43Å
303	R	95.8	Very high	96.9	Very high	191 Å²	191	30.8 Å²	30.8	72%	0.721	14%	0.143	S	C	*	.	H	α-helix	trans	-62.8	-30	175.4	-82.4	177	174.2	165.7	-3.1	112.7	R299 E300 I301 G305	R299-R303 WeakPolarHBondContact O-CB 3.23Å; R299-R303 VanDerWaalsContact O-CG 3.29Å; R299-R303 WeakPolarHBondContact O-CG 3.49Å; R299-R303 PolarHBondContact O-N 3.05Å; E300-R303 PolarHBondContact O-N 3.38Å; I301-R303 PolarHBondContact O-N 2.93Å; R303-G305 PolarHBondContact O-N 3.21Å
304	R	93.6	Very high	97.1	Very high	92 Å²	92	27.2 Å²	27.2	35%	0.347	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-0	173.7	-66.3	175.5	-177	-118	7.7	113.3	E300 I301 L302 M306	E300-R304 WeakPolarHBondContact O-CG 3.34Å; E300-R304 PolarHBondContact O-N 3.15Å; E300-R304 IonicContact OE1-CZ 2.93Å; E300-R304 IonicContact OE1-NE 3.35Å; E300-R304 PolarHBondContact OE1-NE 3.12Å; E300-R304 IonicContact OE1-NH2 3.51Å; E300-R304 PolarHBondContact OE1-NH2 2.99Å; I301-R304 PolarHBondContact O-N 3.08Å; L302-R304 PolarHBondContact O-N 2.86Å; R304-M306 VanDerWaalsContact C-N 3.29Å; R304-M306 HydrophobicContact CB-CG 4.03Å; R304-M306 HydrophobicContact CB-SD 4.18Å; R304-M306 PolarHBondContact O-N 3.11Å
305	G	94.1	Very high	97.2	Very high	13 Å²	13	27 Å²	27	13%	0.134	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.3	16.5	-179.5	0	0	0	0	0	114.2	Q51 R60 L302 R303	Q51-G305 PolarHBondContact NE2-O 3.24Å; Q51-G305 PolarHBondContact OE1-O 3.33Å; R60-G305 VanDerWaalsContact NH2-CA 3.34Å; L302-G305 WeakPolarHBondContact O-CA 3.42Å; L302-G305 PolarHBondContact O-N 2.67Å; R303-G305 PolarHBondContact O-N 3.21Å
306	M	96.4	Very high	97.3	Very high	5 Å²	5	26.7 Å²	26.7	3%	0.025	12%	0.122	C	C	.	.			trans	-78.7	152.8	178.8	-56.7	173.1	70.9	0	0	110.7	L252 M269 V271 I301 R304	L252-M306 HydrophobicContact CD2-CE 4.5Å; L252-M306 HydrophobicContact CD2-SD 4.33Å; M269-M306 HydrophobicContact CB-CB 4.47Å; M269-M306 HydrophobicContact CB-CE 3.87Å; M269-M306 HydrophobicContact CB-CG 3.94Å; M269-M306 WeakPolarHBondContact O-CA 3.43Å; M269-M306 HydrophobicContact SD-CE 4.45Å; V271-M306 HydrophobicContact CG2-CE 3.83Å; I301-M306 HydrophobicContact CG2-CB 3.72Å; I301-M306 HydrophobicContact CG2-SD 4.3Å; I301-M306 WeakPolarHBondContact O-CB 3.42Å; I301-M306 PolarHBondContact O-N 2.97Å; R304-M306 VanDerWaalsContact C-N 3.29Å; R304-M306 HydrophobicContact CB-CG 4.03Å; R304-M306 HydrophobicContact CB-SD 4.18Å; R304-M306 PolarHBondContact O-N 3.11Å
307	S	98.1	Very high	97.4	Very high	4 Å²	4	23.8 Å²	23.8	3%	0.028	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	157.3	163.5	-71.3	0	0	0	0	110.8	F52 I61 M269 M270 V271	F52-S307 WeakPolarHBondContact CD2-OG 3.47Å; I61-S307 PolarHBondContact N-OG 3.37Å; I61-S307 VanDerWaalsContact N-OG 3.08Å; I61-S307 WeakPolarHBondContact O-CA 3.45Å; I61-S307 WeakPolarHBondContact O-CB 3.5Å; M269-S307 PolarHBondContact O-N 3.02Å; M270-S307 WeakPolarHBondContact CA-O 3.41Å; V271-S307 PolarHBondContact N-O 3.13Å
308	I	98.5	Very high	97.6	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	148.5	-175.4	-167.2	171.7	0	0	0	110.5	I61 L62 G63 V271 C274 V298 I301 L302 L310	I61-I308 PolarHBondContact O-N 3.23Å; L62-I308 HydrophobicContact CD2-CG2 4.2Å; G63-I308 WeakPolarHBondContact CA-O 3.31Å; G63-I308 PolarHBondContact N-O 3.33Å; V271-I308 HydrophobicContact CB-CG1 4.36Å; V271-I308 CarbonylContact O-C 3.55Å; V271-I308 WeakPolarHBondContact O-CA 3.45Å; C274-I308 HydrophobicContact CB-CD1 3.8Å; C274-I308 HydrophobicContact CB-CG1 3.78Å; V298-I308 HydrophobicContact CB-CD1 4.24Å; V298-I308 HydrophobicContact CG1-CD1 3.93Å; V298-I308 HydrophobicContact CG2-CD1 3.87Å; I301-I308 HydrophobicContact CB-CD1 4.41Å; I301-I308 HydrophobicContact CD1-CD1 3.77Å; I301-I308 HydrophobicContact CG2-CB 4.18Å; I301-I308 HydrophobicContact CG2-CD1 4.17Å; I301-I308 HydrophobicContact CG2-CG1 4.39Å; L302-I308 HydrophobicContact CD2-CG2 3.94Å; I308-L310 HydrophobicContact CD1-CD2 3.92Å; I308-L310 HydrophobicContact CG1-CD2 4.34Å
309	N	98.8	Very high	97.6	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	120.3	163.8	173.4	67.4	0	0	0	109.5	G63 G64 S65 T92 M270 V271 M272 C274 Y311	G63-N309 VanDerWaalsContact C-OD1 3.23Å; G63-N309 WeakPolarHBondContact O-CA 3.38Å; G64-N309 VanDerWaalsContact C-OD1 3.31Å; G64-N309 WeakPolarHBondContact CA-OD1 3.44Å; G64-N309 PolarHBondContact N-OD1 3.29Å; G64-N309 VanDerWaalsContact N-OD1 3.09Å; S65-N309 PolarHBondContact OG-ND2 2.83Å; T92-N309 VanDerWaalsContact CB-OD1 3.27Å; T92-N309 WeakPolarHBondContact CB-OD1 3.39Å; T92-N309 VanDerWaalsContact OG1-CG 3.22Å; T92-N309 PolarHBondContact OG1-OD1 2.79Å; M270-N309 HydrophobicContact CE-CB 3.83Å; V271-N309 PolarHBondContact O-N 3.46Å; M272-N309 VanDerWaalsContact O-CB 3.26Å; M272-N309 WeakPolarHBondContact O-CB 3.42Å; M272-N309 PolarHBondContact O-ND2 3.14Å; M272-N309 HydrophobicContact SD-CB 4.25Å; C274-N309 PolarHBondContact N-O 2.9Å; N309-Y311 PolarHBondContact O-N 3.12Å
310	L	98.8	Very high	97.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	121.3	179.5	-58.3	-179.9	0	0	0	109.6	G63 S65 I88 C274 T276 V298 I308 F313 L357 F361	G63-L310 PolarHBondContact O-N 3.4Å; S65-L310 WeakPolarHBondContact CB-O 3.38Å; S65-L310 PolarHBondContact N-O 3.19Å; S65-L310 PolarHBondContact OG-O 3.24Å; S65-L310 VanDerWaalsContact OG-O 3.13Å; I88-L310 HydrophobicContact CD1-CD1 4.34Å; C274-L310 HydrophobicContact CB-CD2 4.3Å; T276-L310 HydrophobicContact CG2-CB 3.86Å; T276-L310 HydrophobicContact CG2-CD2 4.03Å; T276-L310 HydrophobicContact CG2-CG 4.4Å; V298-L310 HydrophobicContact CG2-CD2 3.86Å; I308-L310 HydrophobicContact CD1-CD2 3.92Å; I308-L310 HydrophobicContact CG1-CD2 4.34Å; L310-F313 HydrophobicContact CB-CB 4.43Å; L310-F313 HydrophobicContact CD1-CD2 4.17Å; L310-F313 PolarHBondContact O-N 3.1Å; L310-L357 HydrophobicContact CD1-CD1 3.72Å; L310-L357 HydrophobicContact CD1-CD2 4.33Å; L310-F361 HydrophobicContact CD1-CE2 4Å; L310-F361 HydrophobicContact CD1-CZ 4.05Å
311	Y	98.6	Very high	97.6	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.016	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	108.4	176.5	-168.7	-81.7	0	0	0	108.7	S65 H67 Y94 S139 E273 C274 W275 T276 N309 Y338 Y340	S65-Y311 WeakPolarHBondContact OG-CD2 3.33Å; H67-Y311 AromaticContact NE2-CE2 3.71Å; Y94-Y311 HydrophobicContact CD2-CE2 4.42Å; Y94-Y311 AromaticContact CE2-CE2 3.73Å; Y94-Y311 HydrophobicContact CE2-CE2 3.73Å; S139-Y311 WeakPolarHBondContact CA-OH 3.41Å; S139-Y311 PolarHBondContact OG-OH 2.77Å; E273-Y311 HydrophobicContact CB-CG 4.29Å; E273-Y311 HydrophobicContact CG-CD2 4.09Å; E273-Y311 HydrophobicContact CG-CG 4.11Å; C274-Y311 PolarHBondContact O-N 3.11Å; W275-Y311 CarbonylContact C-O 3.54Å; W275-Y311 WeakPolarHBondContact CA-O 3.45Å; W275-Y311 AromaticContact CD1-CD1 3.86Å; T276-Y311 PolarHBondContact N-O 3.1Å; N309-Y311 PolarHBondContact O-N 3.12Å; Y311-Y338 PolarHBondContact OH-OH 3.04Å; Y311-Y338 VanDerWaalsContact OH-OH 3.11Å; Y311-Y340 HydrophobicContact CD1-CE1 4.29Å; Y311-Y340 HydrophobicContact CD1-CE2 4.44Å; Y311-Y340 AromaticContact CD1-CZ 3.86Å; Y311-Y340 HydrophobicContact CE1-CE2 4.14Å; Y311-Y340 AromaticContact CE1-CZ 4Å; Y311-Y340 WeakPolarHBondContact O-CE1 3.43Å
312	M	98.6	Very high	97.6	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-90.7	144.5	-7.1	-66.3	-58.3	-68.7	0	0	111.2	S65 H67 T276 H314 Y338 Y340 A342 P343	S65-M312 WeakPolarHBondContact O-CE 3.32Å; H67-M312 VanDerWaalsContact CD2-CE 3.41Å; H67-M312 WeakPolarHBondContact CD2-CE 3.44Å; H67-M312 WeakPolarHBondContact NE2-CE 3.19Å; T276-M312 PolarHBondContact OG1-N 2.85Å; T276-M312 PolarHBondContact OG1-O 3.13Å; M312-H314 WeakPolarHBondContact CE-O 3.47Å; M312-Y338 HydrophobicContact CE-CE1 4.42Å; M312-Y338 HydrophobicContact CG-CD1 4.49Å; M312-Y338 HydrophobicContact CG-CE1 3.75Å; M312-Y338 HydrophobicContact SD-CE1 4.2Å; M312-Y340 HydrophobicContact CB-CD1 3.92Å; M312-Y340 HydrophobicContact CB-CG 4.06Å; M312-Y340 HydrophobicContact CG-CD1 3.98Å; M312-Y340 HydrophobicContact CG-CD2 4.04Å; M312-Y340 HydrophobicContact CG-CE1 4.34Å; M312-Y340 HydrophobicContact CG-CE2 4.38Å; M312-Y340 HydrophobicContact CG-CG 3.83Å; M312-A342 HydrophobicContact CB-CB 4.22Å; M312-A342 WeakPolarHBondContact O-CB 3.45Å; M312-P343 WeakPolarHBondContact O-CD 3.5Å
313	F	98.9	Very high	97.7	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-39	162.9	178	-101.5	0	0	0	110.8	S65 V66 M83 C86 I88 L310 P343 L344 Y354	S65-F313 PolarHBondContact O-N 3.03Å; V66-F313 HydrophobicContact CG2-CB 4.34Å; V66-F313 HydrophobicContact CG2-CD1 3.94Å; M83-F313 HydrophobicContact CB-CD1 4Å; M83-F313 HydrophobicContact CB-CE1 3.56Å; M83-F313 HydrophobicContact CB-CZ 4.25Å; M83-F313 HydrophobicContact CE-CB 4.37Å; M83-F313 HydrophobicContact CE-CD1 3.78Å; M83-F313 HydrophobicContact CE-CG 4.28Å; M83-F313 HydrophobicContact CG-CD1 4.26Å; M83-F313 HydrophobicContact CG-CE1 4.17Å; C86-F313 HydrophobicContact CB-CE2 3.94Å; C86-F313 HydrophobicContact CB-CZ 3.83Å; I88-F313 HydrophobicContact CD1-CB 4.33Å; I88-F313 HydrophobicContact CD1-CD1 4.17Å; I88-F313 HydrophobicContact CD1-CD2 3.16Å; I88-F313 HydrophobicContact CD1-CE1 4.31Å; I88-F313 HydrophobicContact CD1-CE2 3.33Å; I88-F313 HydrophobicContact CD1-CG 3.6Å; I88-F313 HydrophobicContact CD1-CZ 3.91Å; L310-F313 HydrophobicContact CB-CB 4.43Å; L310-F313 HydrophobicContact CD1-CD2 4.17Å; L310-F313 PolarHBondContact O-N 3.1Å; F313-P343 HydrophobicContact CD2-CB 3.94Å; F313-P343 HydrophobicContact CD2-CG 4.05Å; F313-P343 HydrophobicContact CE2-CB 3.87Å; F313-P343 HydrophobicContact CE2-CG 4.42Å; F313-P343 WeakPolarHBondContact O-CD 3.5Å; F313-L344 HydrophobicContact CD1-CD1 4.26Å; F313-L344 HydrophobicContact CE1-CD1 3.53Å; F313-L344 HydrophobicContact CE1-CG 3.91Å; F313-L344 HydrophobicContact CZ-CD1 4.13Å; F313-L344 HydrophobicContact CZ-CG 4.11Å; F313-L344 PolarHBondContact O-N 2.64Å; F313-Y354 HydrophobicContact CE2-CD2 4.24Å; F313-Y354 AromaticContact CZ-CD2 3.9Å; F313-Y354 HydrophobicContact CZ-CD2 3.9Å; F313-Y354 AromaticContact CZ-CE2 3.86Å; F313-Y354 HydrophobicContact CZ-CE2 3.86Å
314	H	98.9	Very high	97.8	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	5%	0.045	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	117.2	169.1	173.4	51	0	0	0	107.6	S65 V66 R79 M312 L344 S345 E346	S65-H314 PolarHBondContact O-N 2.63Å; V66-H314 HydrophobicContact CG1-CB 4.41Å; V66-H314 HydrophobicContact CG2-CB 3.82Å; R79-H314 PolarHBondContact NE-NE2 3.39Å; M312-H314 WeakPolarHBondContact CE-O 3.47Å; H314-L344 HydrophobicContact CB-CB 3.88Å; H314-L344 HydrophobicContact CB-CD1 4.18Å; H314-L344 PolarHBondContact ND1-O 2.89Å; H314-S345 PolarHBondContact CE1-O 3.42Å; H314-S345 PolarHBondContact ND1-O 3.29Å; H314-E346 PolarHBondContact CE1-O 3.29Å
315	G	98.7	Very high	98	Very high	0 Å²	0	4.8 Å²	4.8	0%	0	3%	0.028	C	C	.	.			trans	-81.2	-51.3	-177.5	0	0	0	0	0	113	R70 Y338	R70-G315 WeakPolarHBondContact CB-O 3.41Å; R70-G315 WeakPolarHBondContact CD-O 3.28Å; G315-Y338 CarbonylContact C-O 3.5Å; G315-Y338 WeakPolarHBondContact CA-O 3.46Å
316	G	98.5	Very high	98.1	Very high	1 Å²	1	6.6 Å²	6.6	1%	0.01	4%	0.035	C	C	.	.			trans	88.8	-139.1	178.7	0	0	0	0	0	112.5	Y338	G316-Y338 PolarHBondContact N-O 3.02Å; G316-Y338 CarbonylContact O-C 3.49Å; G316-Y338 VanDerWaalsContact O-CA 3.22Å; G316-Y338 WeakPolarHBondContact O-CA 3.42Å; G316-Y338 WeakPolarHBondContact O-CB 3.37Å; G316-Y338 PolarHBondContact O-N 3.06Å
317	T	98.9	Very high	97.6	Very high	2 Å²	2	9.5 Å²	9.5	1%	0.012	5%	0.053	C	C	.	.	B	Isolated β-bridge	trans	-132	139	-174.1	-50.1	0	0	0	0	111.9	R70 F319 T336 E346 Y594	R70-T317 WeakPolarHBondContact CA-O 3.38Å; R70-T317 WeakPolarHBondContact CB-O 3.47Å; R70-T317 WeakPolarHBondContact CG-O 3.35Å; R70-T317 PolarHBondContact O-N 2.85Å; R70-T317 VanDerWaalsContact O-N 3.12Å; T317-F319 VanDerWaalsContact C-N 3.34Å; T317-F319 HydrophobicContact CG2-CD1 3.82Å; T317-F319 HydrophobicContact CG2-CE1 3.72Å; T317-F319 HydrophobicContact CG2-CE2 4.42Å; T317-F319 HydrophobicContact CG2-CG 4.22Å; T317-F319 HydrophobicContact CG2-CZ 4.04Å; T317-F319 PolarHBondContact O-N 3.32Å; T317-T336 HydrophobicContact CG2-CG2 3.95Å; T317-E346 WeakPolarHBondContact CB-OE1 3.08Å; T317-E346 VanDerWaalsContact CG2-OE1 3.3Å; T317-E346 WeakPolarHBondContact CG2-OE1 3.44Å; T317-E346 WeakPolarHBondContact OG1-CG 3.35Å; T317-E346 PolarHBondContact OG1-OE1 3.17Å; T317-Y594 WeakPolarHBondContact OG1-CD1 3.42Å
318	N	98.6	Very high	96.6	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	9%	0.087	C	C	.	.			trans	-81.7	73.6	167.5	-65	-43.2	0	0	0	110.8	R70 M322 I335 T336	R70-N318 PolarHBondContact NE-OD1 3.16Å; R70-N318 PolarHBondContact NH2-OD1 3.03Å; N318-M322 HydrophobicContact CB-CG 3.71Å; N318-M322 HydrophobicContact CB-SD 4.44Å; N318-I335 PolarHBondContact ND2-O 3.19Å; N318-T336 WeakPolarHBondContact CA-O 3.2Å; N318-T336 VanDerWaalsContact CB-O 3.3Å; N318-T336 WeakPolarHBondContact CB-O 3.41Å; N318-T336 PolarHBondContact N-O 2.94Å
319	F	98.3	Very high	95.6	Very high	25 Å²	25	21.6 Å²	21.6	11%	0.11	12%	0.124	C	C	.	.			trans	-58.2	147.7	-178.1	-65.8	-69.2	0	0	0	113.1	P72 T317 F321 M322 L581 Y594 P596 F599	P72-F319 HydrophobicContact CG-CE2 4.33Å; P72-F319 HydrophobicContact CG-CZ 4.33Å; T317-F319 VanDerWaalsContact C-N 3.34Å; T317-F319 HydrophobicContact CG2-CD1 3.82Å; T317-F319 HydrophobicContact CG2-CE1 3.72Å; T317-F319 HydrophobicContact CG2-CE2 4.42Å; T317-F319 HydrophobicContact CG2-CG 4.22Å; T317-F319 HydrophobicContact CG2-CZ 4.04Å; T317-F319 PolarHBondContact O-N 3.32Å; F319-F321 PolarHBondContact O-N 3.08Å; F319-M322 HydrophobicContact CB-CE 4.27Å; F319-M322 WeakPolarHBondContact O-CE 3.44Å; F319-M322 VanDerWaalsContact O-CG 3.31Å; F319-M322 WeakPolarHBondContact O-CG 3.31Å; F319-M322 PolarHBondContact O-N 3.37Å; F319-L581 HydrophobicContact CD1-CD1 4.27Å; F319-L581 HydrophobicContact CE1-CD1 4.09Å; F319-Y594 HydrophobicContact CZ-CD1 4.48Å; F319-P596 HydrophobicContact CE1-CG 4.18Å; F319-P596 HydrophobicContact CZ-CG 3.79Å; F319-F599 HydrophobicContact CD1-CE2 4.02Å; F319-F599 AromaticContact CE1-CE2 3.72Å; F319-F599 HydrophobicContact CE1-CE2 3.72Å; F319-F599 HydrophobicContact CE1-CZ 4.44Å; F319-F599 HydrophobicContact CE2-CE2 4.45Å; F319-F599 HydrophobicContact CE2-CZ 4.4Å; F319-F599 AromaticContact CZ-CE2 3.96Å; F319-F599 HydrophobicContact CZ-CE2 3.96Å; F319-F599 HydrophobicContact CZ-CZ 4.27Å
320	G	97.5	Very high	95.1	Very high	8 Å²	8	25 Å²	25	8%	0.082	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	-122.9	-179.4	0	0	0	0	0	113.4	N580 G582	G320-N580 VanDerWaalsContact CA-CG 3.43Å; G320-N580 WeakPolarHBondContact CA-OD1 3.23Å; G320-N580 PolarHBondContact N-O 3.06Å; G320-G582 WeakPolarHBondContact O-CA 3.43Å
321	F	97.8	Very high	94.8	Very high	13 Å²	13	27.5 Å²	27.5	6%	0.057	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	21.9	-175.6	-57.7	-62.8	0	0	0	113.4	F319 S323 Y424 M523 V573 N580 R583	F319-F321 PolarHBondContact O-N 3.08Å; F321-S323 VanDerWaalsContact C-N 3.27Å; F321-S323 PolarHBondContact O-N 3.03Å; F321-Y424 HydrophobicContact CB-CD1 3.83Å; F321-Y424 HydrophobicContact CB-CG 3.84Å; F321-M523 HydrophobicContact CE2-CB 3.86Å; F321-M523 HydrophobicContact CE2-CG 4.32Å; F321-M523 HydrophobicContact CZ-CB 4.17Å; F321-M523 HydrophobicContact CZ-CG 4.22Å; F321-V573 HydrophobicContact CE1-CG1 4.27Å; F321-V573 HydrophobicContact CE1-CG2 3.64Å; F321-V573 HydrophobicContact CZ-CG1 4.03Å; F321-V573 HydrophobicContact CZ-CG2 3.82Å; F321-N580 WeakPolarHBondContact CE2-ND2 3.46Å; F321-R583 HydrophobicContact CD1-CG 4.25Å; F321-R583 VanDerWaalsContact CD1-CZ 3.44Å; F321-R583 HydrophobicContact CE1-CG 4.31Å
322	M	96.7	Very high	94.6	Very high	23 Å²	23	30.9 Å²	30.9	11%	0.113	17%	0.166	C	C	.	.			trans	-77	-11.9	-175.7	74.4	176.6	57.9	0	0	113.9	L99 L141 D142 N318 F319	L99-M322 HydrophobicContact CD1-CE 4.08Å; L141-M322 CarbonylContact C-O 3.56Å; L141-M322 VanDerWaalsContact CA-O 3.31Å; L141-M322 WeakPolarHBondContact CA-O 3.29Å; L141-M322 HydrophobicContact CD2-CB 4.1Å; L141-M322 HydrophobicContact CD2-CG 3.95Å; L141-M322 WeakPolarHBondContact CD2-O 3.45Å; L141-M322 HydrophobicContact CD2-SD 4.08Å; D142-M322 PolarHBondContact N-O 2.91Å; N318-M322 HydrophobicContact CB-CG 3.71Å; N318-M322 HydrophobicContact CB-SD 4.44Å; F319-M322 HydrophobicContact CB-CE 4.27Å; F319-M322 WeakPolarHBondContact O-CE 3.44Å; F319-M322 VanDerWaalsContact O-CG 3.31Å; F319-M322 WeakPolarHBondContact O-CG 3.31Å; F319-M322 PolarHBondContact O-N 3.37Å
323	S	97.9	Very high	94.5	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-65.5	139.4	178.6	64.9	0	0	0	0	111.7	F321 L334	F321-S323 VanDerWaalsContact C-N 3.27Å; F321-S323 PolarHBondContact O-N 3.03Å; S323-L334 PolarHBondContact OG-O 3.1Å
324	G	98.1	Very high	94.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.			trans	-86.6	-161.8	177.2	0	0	0	0	0	113.5	E140 L334 R488	E140-G324 PolarHBondContact O-N 3.2Å; G324-L334 VanDerWaalsContact O-CB 3.32Å; G324-L334 WeakPolarHBondContact O-CB 3.43Å; G324-L334 WeakPolarHBondContact O-CG 3.49Å; G324-L334 PolarHBondContact O-N 2.93Å; G324-R488 CarbonylContact C-O 3.58Å; G324-R488 WeakPolarHBondContact CA-O 3.39Å
325	A	97.6	Very high	94.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	164.5	175.2	0	0	0	0	0	112.6	Y331 K332 G487 R488 V489 H490	A325-Y331 HydrophobicContact CB-CD2 4.1Å; A325-Y331 HydrophobicContact CB-CE2 3.27Å; A325-Y331 WeakPolarHBondContact CB-OH 3.06Å; A325-K332 CarbonylContact C-O 3.58Å; A325-K332 VanDerWaalsContact CA-O 3.23Å; A325-K332 WeakPolarHBondContact CA-O 3.39Å; A325-K332 WeakPolarHBondContact CB-O 3.39Å; A325-G487 VanDerWaalsContact CB-O 3.22Å; A325-G487 WeakPolarHBondContact CB-O 3.36Å; A325-R488 PolarHBondContact N-O 2.89Å; A325-V489 HydrophobicContact CB-CG2 4.44Å; A325-V489 VanDerWaalsContact O-CA 3.24Å; A325-V489 WeakPolarHBondContact O-CA 3.5Å; A325-H490 PolarHBondContact O-N 2.63Å; A325-H490 PolarHBondContact O-ND1 3.38Å
326	L	94.9	Very high	94.5	Very high	51 Å²	51	31.3 Å²	31.3	27%	0.267	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	160.4	168.5	-63.5	170.4	0	0	0	110.2	F279 Y331 K332 L334	F279-L326 HydrophobicContact CE2-CD1 4.16Å; F279-L326 HydrophobicContact CE2-CD2 4.21Å; F279-L326 HydrophobicContact CE2-CG 4.38Å; F279-L326 HydrophobicContact CZ-CD2 4.11Å; L326-Y331 VanDerWaalsContact O-CA 3.28Å; L326-Y331 WeakPolarHBondContact O-CA 3.29Å; L326-K332 HydrophobicContact CB-CB 4.42Å; L326-K332 PolarHBondContact N-O 3.22Å; L326-K332 PolarHBondContact O-N 2.71Å; L326-L334 HydrophobicContact CD1-CD2 4.25Å; L326-L334 HydrophobicContact CG-CD2 4.04Å
327	T	87.8	Confident	94.5	Very high	66 Å²	66	31.5 Å²	31.5	41%	0.405	17%	0.171	S	C	.	.			trans	-127.9	-6.8	175.3	-165.1	0	0	0	0	114.7	V489 A494	T327-V489 HydrophobicContact CG2-CG1 4.01Å; T327-V489 HydrophobicContact CG2-CG2 4.48Å; T327-A494 HydrophobicContact CG2-CB 4Å
328	N	76	Confident	94.5	Very high	139 Å²	139	31.6 Å²	31.6	74%	0.743	17%	0.171	S	C	*	.	S	Bend	trans	-127.5	128.7	-174.2	-173.4	24	0	0	0	109.7
329	P	78.8	Confident	94.5	Very high	119 Å²	119	32.2 Å²	32.2	77%	0.773	17%	0.174	S	C	*	.	S	Bend	cis	-74.9	-17.8	-6.5	30.9	-35.1	0	0	0	114.3
330	I	86.4	Confident	94.5	Very high	73 Å²	73	31.3 Å²	31.3	37%	0.374	17%	0.17	S	C	.	.	S	Bend	trans	-137.4	152.3	-179.1	-59	175.5	0	0	0	108.3	K332	I330-K332 PolarHBondContact O-N 3.43Å
331	Y	92.8	Very high	94.5	Very high	52 Å²	52	32.2 Å²	32.2	20%	0.204	17%	0.173	C	C	.	.			trans	-56.2	127.8	172.2	177.8	-88.8	0	0	0	111.7	A325 L326 A333 D447 C486 G487 V489	A325-Y331 HydrophobicContact CB-CD2 4.1Å; A325-Y331 HydrophobicContact CB-CE2 3.27Å; A325-Y331 WeakPolarHBondContact CB-OH 3.06Å; L326-Y331 VanDerWaalsContact O-CA 3.28Å; L326-Y331 WeakPolarHBondContact O-CA 3.29Å; Y331-A333 HydrophobicContact CE1-CB 4.28Å; Y331-D447 HydrophobicContact CD1-CB 4.41Å; Y331-D447 HydrophobicContact CE1-CB 3.79Å; Y331-D447 PolarHBondContact OH-OD2 3.22Å; Y331-C486 HydrophobicContact CE1-CB 4.14Å; Y331-C486 VanDerWaalsContact OH-C 3.32Å; Y331-C486 VanDerWaalsContact OH-CB 3.23Å; Y331-C486 WeakPolarHBondContact OH-CB 3.3Å; Y331-G487 WeakPolarHBondContact CE2-O 3.41Å; Y331-G487 PolarHBondContact OH-N 2.89Å; Y331-G487 PolarHBondContact OH-O 2.84Å; Y331-V489 HydrophobicContact CD2-CG2 4.36Å; Y331-V489 HydrophobicContact CE2-CG2 4.49Å
332	K	94.8	Very high	94.6	Very high	74 Å²	74	31.6 Å²	31.6	32%	0.322	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	125.8	172.9	-69.3	-174.6	172.7	-178.2	0	110.1	A281 D284 A325 L326 I330	A281-K332 HydrophobicContact CB-CB 4Å; A281-K332 HydrophobicContact CB-CD 4.31Å; D284-K332 IonicContact OD1-NZ 2.67Å; D284-K332 PolarHBondContact OD1-NZ 3.42Å; D284-K332 WeakPolarHBondContact OD2-CD 3.45Å; D284-K332 IonicContact OD2-NZ 2.7Å; D284-K332 PolarHBondContact OD2-NZ 3.36Å; A325-K332 CarbonylContact C-O 3.58Å; A325-K332 VanDerWaalsContact CA-O 3.23Å; A325-K332 WeakPolarHBondContact CA-O 3.39Å; A325-K332 WeakPolarHBondContact CB-O 3.39Å; L326-K332 HydrophobicContact CB-CB 4.42Å; L326-K332 PolarHBondContact N-O 3.22Å; L326-K332 PolarHBondContact O-N 2.71Å; I330-K332 PolarHBondContact O-N 3.43Å
333	A	97.1	Very high	94.6	Very high	7 Å²	7	30.5 Å²	30.5	6%	0.058	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	138.1	175.1	0	0	0	0	0	110.3	A281 W282 Y331 C486	A281-A333 WeakPolarHBondContact CA-O 3.45Å; W282-A333 PolarHBondContact N-O 3.38Å; Y331-A333 HydrophobicContact CE1-CB 4.28Å; A333-C486 HydrophobicContact CB-CB 3.82Å; A333-C486 WeakPolarHBondContact CB-O 3.48Å
334	L	98.3	Very high	94.7	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-79.2	150.5	176.4	-57.6	-172.2	0	0	0	111	E140 F279 D280 A281 W282 S323 G324 L326	E140-L334 HydrophobicContact CB-CD1 3.45Å; E140-L334 VanDerWaalsContact CB-CD1 3.45Å; E140-L334 HydrophobicContact CG-CD1 3.61Å; F279-L334 HydrophobicContact CD2-CD1 3.91Å; F279-L334 HydrophobicContact CD2-CD2 3.6Å; F279-L334 HydrophobicContact CD2-CG 4.35Å; F279-L334 HydrophobicContact CE2-CD1 4.04Å; F279-L334 HydrophobicContact CE2-CD2 3.52Å; F279-L334 HydrophobicContact CE2-CG 4.45Å; D280-L334 WeakPolarHBondContact O-CA 3.38Å; A281-L334 HydrophobicContact CB-CD2 3.97Å; W282-L334 PolarHBondContact NE1-O 3.29Å; S323-L334 PolarHBondContact OG-O 3.1Å; G324-L334 VanDerWaalsContact O-CB 3.32Å; G324-L334 WeakPolarHBondContact O-CB 3.43Å; G324-L334 WeakPolarHBondContact O-CG 3.49Å; G324-L334 PolarHBondContact O-N 2.93Å; L326-L334 HydrophobicContact CD1-CD2 4.25Å; L326-L334 HydrophobicContact CG-CD2 4.04Å
335	I	98.6	Very high	94.7	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-73.4	169.6	-177.8	71.5	163.1	0	0	0	112.4	D280 W282 N318 S337 Q590	D280-I335 HydrophobicContact CB-CD1 3.57Å; D280-I335 HydrophobicContact CB-CG1 3.81Å; D280-I335 HydrophobicContact CB-CG2 4.17Å; D280-I335 PolarHBondContact O-N 3.24Å; D280-I335 VanDerWaalsContact O-N 3.11Å; W282-I335 HydrophobicContact CD2-CB 4.4Å; W282-I335 HydrophobicContact CD2-CG2 3.75Å; W282-I335 HydrophobicContact CE3-CG2 4.09Å; W282-I335 HydrophobicContact CG-CG2 3.99Å; W282-I335 HydrophobicContact CZ2-CB 4.12Å; W282-I335 HydrophobicContact CZ2-CG2 4.34Å; N318-I335 PolarHBondContact ND2-O 3.19Å; I335-S337 WeakPolarHBondContact CG1-O 3.33Å; I335-Q590 HydrophobicContact CB-CB 4.42Å; I335-Q590 HydrophobicContact CD1-CB 3.85Å
336	T	98.8	Very high	94.8	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-75	-41.4	179	-57.5	0	0	0	0	111	T317 N318 Y338 R583 L593	T317-T336 HydrophobicContact CG2-CG2 3.95Å; N318-T336 WeakPolarHBondContact CA-O 3.2Å; N318-T336 VanDerWaalsContact CB-O 3.3Å; N318-T336 WeakPolarHBondContact CB-O 3.41Å; N318-T336 PolarHBondContact N-O 2.94Å; T336-Y338 PolarHBondContact O-N 3.39Å; T336-R583 PolarHBondContact OG1-N 2.89Å; T336-R583 VanDerWaalsContact OG1-N 3.13Å; T336-R583 PolarHBondContact OG1-O 2.95Å; T336-L593 HydrophobicContact CG2-CD2 3.68Å
337	S	98.8	Very high	94.9	Very high	5 Å²	5	29.2 Å²	29.2	4%	0.035	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-63.1	138.5	174.5	-172.8	0	0	0	0	110	I335 D339 E346	I335-S337 WeakPolarHBondContact CG1-O 3.33Å; S337-D339 WeakPolarHBondContact OG-CB 3.26Å; S337-D339 PolarHBondContact OG-N 3.28Å; S337-E346 VanDerWaalsContact CB-OE2 3.31Å; S337-E346 WeakPolarHBondContact CB-OE2 3.32Å; S337-E346 PolarHBondContact OG-OE2 3.12Å
338	Y	98.7	Very high	95.4	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.012	14%	0.141	C	C	.	.			trans	-121.9	40.6	167.1	-158.4	-109.8	0	0	0	108.9	R70 E140 F279 Y311 M312 G315 G316 T336 Y340	R70-Y338 VanDerWaalsContact CD-CD1 3.5Å; R70-Y338 VanDerWaalsContact NH1-CD1 3.31Å; E140-Y338 HydrophobicContact CB-CE2 3.62Å; E140-Y338 HydrophobicContact CG-CE2 4.05Å; E140-Y338 PolarHBondContact OE2-OH 2.81Å; F279-Y338 HydrophobicContact CB-CD2 4.3Å; F279-Y338 HydrophobicContact CB-CE2 3.88Å; Y311-Y338 PolarHBondContact OH-OH 3.04Å; Y311-Y338 VanDerWaalsContact OH-OH 3.11Å; M312-Y338 HydrophobicContact CE-CE1 4.42Å; M312-Y338 HydrophobicContact CG-CD1 4.49Å; M312-Y338 HydrophobicContact CG-CE1 3.75Å; M312-Y338 HydrophobicContact SD-CE1 4.2Å; G315-Y338 CarbonylContact C-O 3.5Å; G315-Y338 WeakPolarHBondContact CA-O 3.46Å; G316-Y338 PolarHBondContact N-O 3.02Å; G316-Y338 CarbonylContact O-C 3.49Å; G316-Y338 VanDerWaalsContact O-CA 3.22Å; G316-Y338 WeakPolarHBondContact O-CA 3.42Å; G316-Y338 WeakPolarHBondContact O-CB 3.37Å; G316-Y338 PolarHBondContact O-N 3.06Å; T336-Y338 PolarHBondContact O-N 3.39Å; Y338-Y340 HydrophobicContact CE1-CD2 4.1Å; Y338-Y340 HydrophobicContact CE2-CD2 4.08Å; Y338-Y340 HydrophobicContact CE2-CE2 4.48Å; Y338-Y340 AromaticContact CZ-CD2 3.81Å; Y338-Y340 PolarHBondContact O-N 3.15Å
339	D	98.4	Very high	96.5	Very high	15 Å²	15	22.1 Å²	22.1	8%	0.08	12%	0.118	C	C	.	.			trans	-51	-42.4	175.9	179.5	-91.3	0	0	0	112	S337 D341 A342 S345 E346 L627	S337-D339 WeakPolarHBondContact OG-CB 3.26Å; S337-D339 PolarHBondContact OG-N 3.28Å; D339-D341 PolarHBondContact O-N 3.06Å; D339-D341 VanDerWaalsContact O-N 3.16Å; D339-D341 VanDerWaalsContact OD1-CA 3.27Å; D339-D341 WeakPolarHBondContact OD1-CA 3.41Å; D339-D341 PolarHBondContact OD1-N 2.78Å; D339-A342 VanDerWaalsContact O-CB 3.31Å; D339-A342 WeakPolarHBondContact O-CB 3.32Å; D339-A342 PolarHBondContact O-N 2.78Å; D339-S345 WeakPolarHBondContact OD2-CA 3.46Å; D339-S345 WeakPolarHBondContact OD2-CB 3.33Å; D339-E346 HydrophobicContact CB-CB 4.02Å; D339-E346 PolarHBondContact OD2-N 3.44Å; D339-L627 HydrophobicContact CB-CD1 3.76Å
340	Y	98.5	Very high	97.4	Very high	5 Å²	5	18.2 Å²	18.2	2%	0.02	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.4	7.9	175.1	-153.8	-92	0	0	0	114.1	G277 W278 F279 Y311 M312 Y338 A342	G277-Y340 CarbonylContact C-O 3.55Å; G277-Y340 WeakPolarHBondContact CA-O 3.31Å; G277-Y340 VanDerWaalsContact O-CE1 3.31Å; G277-Y340 WeakPolarHBondContact O-CE1 3.39Å; W278-Y340 PolarHBondContact N-O 3.02Å; W278-Y340 VanDerWaalsContact N-O 3.15Å; W278-Y340 CarbonylContact O-C 3.55Å; W278-Y340 VanDerWaalsContact O-CA 3.28Å; W278-Y340 WeakPolarHBondContact O-CA 3.41Å; F279-Y340 HydrophobicContact CB-CD2 4.21Å; F279-Y340 HydrophobicContact CB-CE2 4.32Å; F279-Y340 HydrophobicContact CD1-CE2 4.25Å; Y311-Y340 HydrophobicContact CD1-CE1 4.29Å; Y311-Y340 HydrophobicContact CD1-CE2 4.44Å; Y311-Y340 AromaticContact CD1-CZ 3.86Å; Y311-Y340 HydrophobicContact CE1-CE2 4.14Å; Y311-Y340 AromaticContact CE1-CZ 4Å; Y311-Y340 WeakPolarHBondContact O-CE1 3.43Å; M312-Y340 HydrophobicContact CB-CD1 3.92Å; M312-Y340 HydrophobicContact CB-CG 4.06Å; M312-Y340 HydrophobicContact CG-CD1 3.98Å; M312-Y340 HydrophobicContact CG-CD2 4.04Å; M312-Y340 HydrophobicContact CG-CE1 4.34Å; M312-Y340 HydrophobicContact CG-CE2 4.38Å; M312-Y340 HydrophobicContact CG-CG 3.83Å; Y338-Y340 HydrophobicContact CE1-CD2 4.1Å; Y338-Y340 HydrophobicContact CE2-CD2 4.08Å; Y338-Y340 HydrophobicContact CE2-CE2 4.48Å; Y338-Y340 AromaticContact CZ-CD2 3.81Å; Y338-Y340 PolarHBondContact O-N 3.15Å; Y340-A342 PolarHBondContact O-N 3.21Å
341	D	98.3	Very high	98	Very high	27 Å²	27	15.8 Å²	15.8	14%	0.144	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.7	42	-164.3	-174	21.5	0	0	0	111.1	V288 L289 D339 K353	V288-D341 WeakPolarHBondContact CA-OD2 3.43Å; V288-D341 WeakPolarHBondContact CB-OD2 3.49Å; V288-D341 HydrophobicContact CG1-CB 4.4Å; L289-D341 PolarHBondContact N-OD2 2.99Å; D339-D341 PolarHBondContact O-N 3.06Å; D339-D341 VanDerWaalsContact O-N 3.16Å; D339-D341 VanDerWaalsContact OD1-CA 3.27Å; D339-D341 WeakPolarHBondContact OD1-CA 3.41Å; D339-D341 PolarHBondContact OD1-N 2.78Å; D341-K353 PolarHBondContact O-NZ 3.35Å; D341-K353 IonicContact OD1-NZ 3.31Å; D341-K353 PolarHBondContact OD1-NZ 3.39Å; D341-K353 IonicContact OD2-NZ 3.6Å; D341-K353 PolarHBondContact OD2-NZ 2.85Å
342	A	98.5	Very high	98.2	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.091	C	C	.	.			trans	-76.2	166.1	-175.9	0	0	0	0	0	112.1	M312 D339 Y340 L344 T351	M312-A342 HydrophobicContact CB-CB 4.22Å; M312-A342 WeakPolarHBondContact O-CB 3.45Å; D339-A342 VanDerWaalsContact O-CB 3.31Å; D339-A342 WeakPolarHBondContact O-CB 3.32Å; D339-A342 PolarHBondContact O-N 2.78Å; Y340-A342 PolarHBondContact O-N 3.21Å; A342-L344 WeakPolarHBondContact CB-O 3.31Å; A342-L344 PolarHBondContact O-N 2.85Å; A342-T351 WeakPolarHBondContact O-CG2 3.41Å; A342-T351 PolarHBondContact O-OG1 2.85Å
343	P	98.7	Very high	98.4	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.077	C	C	.	.	S	Bend	trans	-53.1	-34.6	169.8	-28.8	37.4	0	0	0	113.6	T276 M312 F313 T351 Y354 L357	T276-P343 HydrophobicContact CG2-CG 4.44Å; M312-P343 WeakPolarHBondContact O-CD 3.5Å; F313-P343 HydrophobicContact CD2-CB 3.94Å; F313-P343 HydrophobicContact CD2-CG 4.05Å; F313-P343 HydrophobicContact CE2-CB 3.87Å; F313-P343 HydrophobicContact CE2-CG 4.42Å; F313-P343 WeakPolarHBondContact O-CD 3.5Å; P343-T351 WeakPolarHBondContact CA-OG1 3.41Å; P343-T351 PolarHBondContact O-N 2.88Å; P343-T351 VanDerWaalsContact O-N 3.17Å; P343-T351 PolarHBondContact O-OG1 2.81Å; P343-Y354 VanDerWaalsContact O-CB 3.28Å; P343-Y354 WeakPolarHBondContact O-CB 3.27Å; P343-L357 HydrophobicContact CB-CD1 3.98Å; P343-L357 HydrophobicContact CG-CD1 3.49Å; P343-L357 VanDerWaalsContact CG-CD1 3.49Å
344	L	98.7	Very high	98.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.074	C	C	.	.	B	Isolated β-bridge	trans	-111.3	128.3	166.7	-61.8	-178.8	0	0	0	110.6	K82 F313 H314 A342 E349 Y350 Y354	K82-L344 HydrophobicContact CB-CD1 3.76Å; K82-L344 HydrophobicContact CB-CD2 4.46Å; K82-L344 HydrophobicContact CD-CD1 4.13Å; K82-L344 HydrophobicContact CD-CD2 4.3Å; F313-L344 HydrophobicContact CD1-CD1 4.26Å; F313-L344 HydrophobicContact CE1-CD1 3.53Å; F313-L344 HydrophobicContact CE1-CG 3.91Å; F313-L344 HydrophobicContact CZ-CD1 4.13Å; F313-L344 HydrophobicContact CZ-CG 4.11Å; F313-L344 PolarHBondContact O-N 2.64Å; H314-L344 HydrophobicContact CB-CB 3.88Å; H314-L344 HydrophobicContact CB-CD1 4.18Å; H314-L344 PolarHBondContact ND1-O 2.89Å; A342-L344 WeakPolarHBondContact CB-O 3.31Å; A342-L344 PolarHBondContact O-N 2.85Å; L344-E349 VanDerWaalsContact CA-O 3.28Å; L344-E349 WeakPolarHBondContact CA-O 3.23Å; L344-E349 WeakPolarHBondContact CD2-O 3.47Å; L344-Y350 HydrophobicContact CD2-CD1 3.7Å; L344-Y350 HydrophobicContact CD2-CE1 4.14Å; L344-Y354 HydrophobicContact CD2-CD2 3.58Å; L344-Y354 HydrophobicContact CD2-CE2 3.93Å; L344-Y354 HydrophobicContact CD2-CG 4.34Å; L344-Y354 HydrophobicContact CG-CD2 4.23Å
345	S	98.6	Very high	98.5	Very high	13 Å²	13	17 Å²	17	9%	0.091	9%	0.091	C	C	.	.			trans	-60.9	172.4	178.1	70.1	0	0	0	0	112.8	H314 D339 S347 G348 E349	H314-S345 PolarHBondContact CE1-O 3.42Å; H314-S345 PolarHBondContact ND1-O 3.29Å; D339-S345 WeakPolarHBondContact OD2-CA 3.46Å; D339-S345 WeakPolarHBondContact OD2-CB 3.33Å; S345-S347 PolarHBondContact O-N 3.34Å; S345-G348 WeakPolarHBondContact O-CA 3.39Å; S345-G348 PolarHBondContact O-N 3.22Å; S345-E349 PolarHBondContact N-O 3.02Å; S345-E349 VanDerWaalsContact N-O 3.12Å; S345-E349 WeakPolarHBondContact OG-CB 3.1Å; S345-E349 PolarHBondContact OG-N 3.33Å
346	E	98.8	Very high	98.5	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.019	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48	-41.9	174.5	174.3	169.7	-154.8	0	0	113.4	H314 T317 S337 D339 G348 Y594	H314-E346 PolarHBondContact CE1-O 3.29Å; T317-E346 WeakPolarHBondContact CB-OE1 3.08Å; T317-E346 VanDerWaalsContact CG2-OE1 3.3Å; T317-E346 WeakPolarHBondContact CG2-OE1 3.44Å; T317-E346 WeakPolarHBondContact OG1-CG 3.35Å; T317-E346 PolarHBondContact OG1-OE1 3.17Å; S337-E346 VanDerWaalsContact CB-OE2 3.31Å; S337-E346 WeakPolarHBondContact CB-OE2 3.32Å; S337-E346 PolarHBondContact OG-OE2 3.12Å; D339-E346 HydrophobicContact CB-CB 4.02Å; D339-E346 PolarHBondContact OD2-N 3.44Å; E346-G348 VanDerWaalsContact C-N 3.31Å; E346-G348 PolarHBondContact O-N 3.29Å; E346-Y594 HydrophobicContact CG-CD1 4.04Å; E346-Y594 HydrophobicContact CG-CG 4.16Å; E346-Y594 WeakPolarHBondContact OE1-CB 3.45Å
347	S	98.3	Very high	98.5	Very high	7 Å²	7	19.9 Å²	19.9	5%	0.049	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-0	178.3	63.9	0	0	0	0	114	R79 S345	R79-S347 PolarHBondContact NH2-O 2.88Å; S345-S347 PolarHBondContact O-N 3.34Å
348	G	98.1	Very high	98.5	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.01	11%	0.11	C	C	.	.			trans	84.1	26	178.1	0	0	0	0	0	114.3	K82 S345 E346	K82-G348 PolarHBondContact NZ-O 3.06Å; S345-G348 WeakPolarHBondContact O-CA 3.39Å; S345-G348 PolarHBondContact O-N 3.22Å; E346-G348 VanDerWaalsContact C-N 3.31Å; E346-G348 PolarHBondContact O-N 3.29Å
349	E	97.9	Very high	98.5	Very high	56 Å²	56	26.1 Å²	26.1	26%	0.262	14%	0.136	S	C	.	.	P	Polyproline II helix	trans	-79.4	155.5	173.8	-64.1	-166.1	105.8	0	0	112.4	L344 S345 T351 L375 K378	L344-E349 VanDerWaalsContact CA-O 3.28Å; L344-E349 WeakPolarHBondContact CA-O 3.23Å; L344-E349 WeakPolarHBondContact CD2-O 3.47Å; S345-E349 PolarHBondContact N-O 3.02Å; S345-E349 VanDerWaalsContact N-O 3.12Å; S345-E349 WeakPolarHBondContact OG-CB 3.1Å; S345-E349 PolarHBondContact OG-N 3.33Å; E349-T351 PolarHBondContact O-N 2.95Å; E349-L375 HydrophobicContact CB-CD2 4.44Å; E349-L375 HydrophobicContact CG-CD2 4.4Å; E349-K378 IonicContact OE1-NZ 2.93Å; E349-K378 PolarHBondContact OE1-NZ 3.29Å; E349-K378 IonicContact OE2-NZ 3.21Å; E349-K378 PolarHBondContact OE2-NZ 3.04Å
350	Y	98.5	Very high	98.4	Very high	37 Å²	37	25.7 Å²	25.7	15%	0.145	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-74.2	123.2	174.2	-55.2	-60.5	0	0	0	109.8	K82 L344 Y354 M372 P373 L375	K82-Y350 HydrophobicContact CB-CE1 4.16Å; K82-Y350 HydrophobicContact CD-CE1 3.87Å; K82-Y350 HydrophobicContact CG-CE1 3.78Å; K82-Y350 WeakPolarHBondContact CG-OH 3.29Å; L344-Y350 HydrophobicContact CD2-CD1 3.7Å; L344-Y350 HydrophobicContact CD2-CE1 4.14Å; Y350-Y354 AromaticContact CD1-CD1 3.49Å; Y350-Y354 HydrophobicContact CD1-CD1 3.49Å; Y350-Y354 VanDerWaalsContact CD1-CD1 3.49Å; Y350-Y354 AromaticContact CD1-CD2 3.83Å; Y350-Y354 HydrophobicContact CD1-CD2 3.83Å; Y350-Y354 AromaticContact CD1-CE1 3.41Å; Y350-Y354 HydrophobicContact CD1-CE1 3.41Å; Y350-Y354 VanDerWaalsContact CD1-CE1 3.41Å; Y350-Y354 AromaticContact CD1-CE2 3.71Å; Y350-Y354 HydrophobicContact CD1-CE2 3.71Å; Y350-Y354 AromaticContact CD1-CG 3.72Å; Y350-Y354 HydrophobicContact CD1-CG 3.72Å; Y350-Y354 AromaticContact CD1-CZ 3.52Å; Y350-Y354 HydrophobicContact CE1-CD1 4.19Å; Y350-Y354 HydrophobicContact CE1-CD2 4.33Å; Y350-Y354 AromaticContact CE1-CE1 3.63Å; Y350-Y354 HydrophobicContact CE1-CE1 3.63Å; Y350-Y354 AromaticContact CE1-CE2 3.75Å; Y350-Y354 HydrophobicContact CE1-CE2 3.75Å; Y350-Y354 AromaticContact CE1-CZ 3.37Å; Y350-Y354 HydrophobicContact CG-CD1 4.11Å; Y350-Y354 HydrophobicContact CG-CE1 4.24Å; Y350-M372 HydrophobicContact CE2-CB 4.29Å; Y350-P373 VanDerWaalsContact OH-CD 3.26Å; Y350-P373 WeakPolarHBondContact OH-CD 3.34Å; Y350-P373 PolarHBondContact OH-O 3.38Å; Y350-L375 HydrophobicContact CD2-CD1 4.39Å; Y350-L375 HydrophobicContact CD2-CD2 3.59Å; Y350-L375 HydrophobicContact CD2-CG 4.05Å; Y350-L375 HydrophobicContact CE2-CD2 3.62Å; Y350-L375 HydrophobicContact CE2-CG 4.04Å; Y350-L375 HydrophobicContact CG-CD2 4.38Å
351	T	98.3	Very high	98.4	Very high	22 Å²	22	25.5 Å²	25.5	14%	0.135	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-92.1	165.4	169.6	72.2	0	0	0	0	110	A342 P343 E349 K353 Y354 H355	A342-T351 WeakPolarHBondContact O-CG2 3.41Å; A342-T351 PolarHBondContact O-OG1 2.85Å; P343-T351 WeakPolarHBondContact CA-OG1 3.41Å; P343-T351 PolarHBondContact O-N 2.88Å; P343-T351 VanDerWaalsContact O-N 3.17Å; P343-T351 PolarHBondContact O-OG1 2.81Å; E349-T351 PolarHBondContact O-N 2.95Å; T351-K353 PolarHBondContact O-N 2.78Å; T351-K353 WeakPolarHBondContact OG1-CB 3.48Å; T351-K353 PolarHBondContact OG1-N 3.15Å; T351-Y354 WeakPolarHBondContact O-CB 3.46Å; T351-Y354 PolarHBondContact O-N 2.73Å; T351-H355 PolarHBondContact O-CD2 2.86Å; T351-H355 PolarHBondContact O-N 2.73Å
352	P	98.4	Very high	98.4	Very high	78 Å²	78	26.9 Å²	26.9	51%	0.506	14%	0.144	S	C	.	.	H	α-helix	trans	-52.1	-35.4	170.5	-31.9	39.6	0	0	0	114	Y354 H355 L356	P352-Y354 VanDerWaalsContact C-N 3.31Å; P352-Y354 PolarHBondContact O-N 2.79Å; P352-H355 PolarHBondContact O-N 3.05Å; P352-L356 PolarHBondContact O-N 3.45Å; P352-L356 VanDerWaalsContact O-N 3.16Å
353	K	98.6	Very high	98.2	Very high	5 Å²	5	33.8 Å²	33.8	2%	0.022	18%	0.177	C	C	.	.	H	α-helix	trans	-57.1	-41.9	174.3	-70.4	179.4	-177.1	177.1	0	112.1	T276 L289 Q291 M294 D341 T351 H355 L356 L357	T276-K353 PolarHBondContact O-NZ 2.74Å; L289-K353 WeakPolarHBondContact O-CE 3.38Å; L289-K353 PolarHBondContact O-NZ 3.4Å; Q291-K353 HydrophobicContact CB-CG 3.82Å; M294-K353 HydrophobicContact CE-CB 3.48Å; M294-K353 VanDerWaalsContact CE-CB 3.48Å; M294-K353 HydrophobicContact CE-CD 3.85Å; M294-K353 HydrophobicContact CE-CG 3.58Å; D341-K353 PolarHBondContact O-NZ 3.35Å; D341-K353 IonicContact OD1-NZ 3.31Å; D341-K353 PolarHBondContact OD1-NZ 3.39Å; D341-K353 IonicContact OD2-NZ 3.6Å; D341-K353 PolarHBondContact OD2-NZ 2.85Å; T351-K353 PolarHBondContact O-N 2.78Å; T351-K353 WeakPolarHBondContact OG1-CB 3.48Å; T351-K353 PolarHBondContact OG1-N 3.15Å; K353-H355 PolarHBondContact O-N 3.21Å; K353-L356 PolarHBondContact O-N 3.02Å; K353-L357 WeakPolarHBondContact O-CB 3.49Å; K353-L357 VanDerWaalsContact O-CG 3.25Å; K353-L357 WeakPolarHBondContact O-CG 3.47Å; K353-L357 PolarHBondContact O-N 3.43Å
354	Y	98.8	Very high	98	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.3	-44.7	177.6	176.9	-81.6	0	0	0	112.4	K82 C86 F313 P343 L344 Y350 T351 P352 L357 R358 M372	K82-Y354 HydrophobicContact CB-CE2 4.49Å; K82-Y354 WeakPolarHBondContact O-CE2 3.17Å; K82-Y354 PolarHBondContact O-OH 2.91Å; K82-Y354 VanDerWaalsContact O-OH 3.04Å; C86-Y354 HydrophobicContact CB-CD2 4.13Å; C86-Y354 HydrophobicContact CB-CE2 3.54Å; C86-Y354 PolarHBondContact N-OH 2.73Å; F313-Y354 HydrophobicContact CE2-CD2 4.24Å; F313-Y354 AromaticContact CZ-CD2 3.9Å; F313-Y354 HydrophobicContact CZ-CD2 3.9Å; F313-Y354 AromaticContact CZ-CE2 3.86Å; F313-Y354 HydrophobicContact CZ-CE2 3.86Å; P343-Y354 VanDerWaalsContact O-CB 3.28Å; P343-Y354 WeakPolarHBondContact O-CB 3.27Å; L344-Y354 HydrophobicContact CD2-CD2 3.58Å; L344-Y354 HydrophobicContact CD2-CE2 3.93Å; L344-Y354 HydrophobicContact CD2-CG 4.34Å; L344-Y354 HydrophobicContact CG-CD2 4.23Å; Y350-Y354 AromaticContact CD1-CD1 3.49Å; Y350-Y354 HydrophobicContact CD1-CD1 3.49Å; Y350-Y354 VanDerWaalsContact CD1-CD1 3.49Å; Y350-Y354 AromaticContact CD1-CD2 3.83Å; Y350-Y354 HydrophobicContact CD1-CD2 3.83Å; Y350-Y354 AromaticContact CD1-CE1 3.41Å; Y350-Y354 HydrophobicContact CD1-CE1 3.41Å; Y350-Y354 VanDerWaalsContact CD1-CE1 3.41Å; Y350-Y354 AromaticContact CD1-CE2 3.71Å; Y350-Y354 HydrophobicContact CD1-CE2 3.71Å; Y350-Y354 AromaticContact CD1-CG 3.72Å; Y350-Y354 HydrophobicContact CD1-CG 3.72Å; Y350-Y354 AromaticContact CD1-CZ 3.52Å; Y350-Y354 HydrophobicContact CE1-CD1 4.19Å; Y350-Y354 HydrophobicContact CE1-CD2 4.33Å; Y350-Y354 AromaticContact CE1-CE1 3.63Å; Y350-Y354 HydrophobicContact CE1-CE1 3.63Å; Y350-Y354 AromaticContact CE1-CE2 3.75Å; Y350-Y354 HydrophobicContact CE1-CE2 3.75Å; Y350-Y354 AromaticContact CE1-CZ 3.37Å; Y350-Y354 HydrophobicContact CG-CD1 4.11Å; Y350-Y354 HydrophobicContact CG-CE1 4.24Å; T351-Y354 WeakPolarHBondContact O-CB 3.46Å; T351-Y354 PolarHBondContact O-N 2.73Å; P352-Y354 VanDerWaalsContact C-N 3.31Å; P352-Y354 PolarHBondContact O-N 2.79Å; Y354-L357 PolarHBondContact O-N 3.21Å; Y354-R358 WeakPolarHBondContact O-CB 3.48Å; Y354-R358 PolarHBondContact O-N 2.77Å; Y354-M372 HydrophobicContact CD1-SD 4.48Å; Y354-M372 HydrophobicContact CE1-CG 4.28Å; Y354-M372 HydrophobicContact CE1-SD 3.69Å
355	H	98.6	Very high	97.8	Very high	78 Å²	78	40.2 Å²	40.2	36%	0.361	20%	0.204	S	C	.	.	H	α-helix	trans	-64.6	-46.4	-178.7	-68.4	-67.4	0	0	0	111.3	T351 P352 K353 L357 R358 D359	T351-H355 PolarHBondContact O-CD2 2.86Å; T351-H355 PolarHBondContact O-N 2.73Å; P352-H355 PolarHBondContact O-N 3.05Å; K353-H355 PolarHBondContact O-N 3.21Å; H355-L357 PolarHBondContact O-N 3.27Å; H355-R358 PolarHBondContact O-N 3.24Å; H355-D359 PolarHBondContact O-N 2.88Å
356	L	98.6	Very high	97.3	Very high	62 Å²	62	45.6 Å²	45.6	33%	0.325	24%	0.242	S	C	.	.	H	α-helix	trans	-64.1	-39.1	177.9	-65.1	172.7	0	0	0	112.7	Q291 V295 P352 K353 D359 L360	Q291-L356 HydrophobicContact CB-CD1 4.05Å; Q291-L356 HydrophobicContact CG-CD1 3.97Å; V295-L356 HydrophobicContact CG1-CB 4.44Å; V295-L356 HydrophobicContact CG2-CB 3.56Å; V295-L356 HydrophobicContact CG2-CD1 4Å; V295-L356 HydrophobicContact CG2-CG 4.43Å; P352-L356 PolarHBondContact O-N 3.45Å; P352-L356 VanDerWaalsContact O-N 3.16Å; K353-L356 PolarHBondContact O-N 3.02Å; L356-D359 PolarHBondContact O-N 3.38Å; L356-L360 WeakPolarHBondContact O-CB 3.4Å; L356-L360 PolarHBondContact O-N 3.43Å
357	L	98.6	Very high	97	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-66	-42.6	174.9	-76.4	169.8	0	0	0	111.9	M294 V298 L310 P343 K353 Y354 H355 D359 L360 F361	M294-L357 HydrophobicContact CE-CD1 3.63Å; M294-L357 HydrophobicContact CE-CD2 4.18Å; M294-L357 HydrophobicContact CE-CG 3.79Å; M294-L357 HydrophobicContact SD-CD1 4.08Å; M294-L357 HydrophobicContact SD-CD2 3.88Å; M294-L357 HydrophobicContact SD-CG 4.16Å; V298-L357 HydrophobicContact CB-CD2 4.32Å; V298-L357 HydrophobicContact CG1-CD2 4Å; V298-L357 HydrophobicContact CG2-CD2 4.18Å; L310-L357 HydrophobicContact CD1-CD1 3.72Å; L310-L357 HydrophobicContact CD1-CD2 4.33Å; P343-L357 HydrophobicContact CB-CD1 3.98Å; P343-L357 HydrophobicContact CG-CD1 3.49Å; P343-L357 VanDerWaalsContact CG-CD1 3.49Å; K353-L357 WeakPolarHBondContact O-CB 3.49Å; K353-L357 VanDerWaalsContact O-CG 3.25Å; K353-L357 WeakPolarHBondContact O-CG 3.47Å; K353-L357 PolarHBondContact O-N 3.43Å; Y354-L357 PolarHBondContact O-N 3.21Å; H355-L357 PolarHBondContact O-N 3.27Å; L357-D359 VanDerWaalsContact C-N 3.31Å; L357-D359 PolarHBondContact O-N 3.28Å; L357-L360 PolarHBondContact O-N 3.5Å; L357-F361 HydrophobicContact CB-CD2 4.28Å; L357-F361 HydrophobicContact CB-CE2 4.11Å; L357-F361 HydrophobicContact CD2-CE2 4.1Å; L357-F361 HydrophobicContact CD2-CZ 4.13Å; L357-F361 WeakPolarHBondContact O-CB 3.43Å; L357-F361 VanDerWaalsContact O-CD2 3.31Å; L357-F361 WeakPolarHBondContact O-CD2 3.19Å; L357-F361 WeakPolarHBondContact O-CG 3.38Å; L357-F361 PolarHBondContact O-N 2.96Å
358	R	98.5	Very high	96.8	Very high	37 Å²	37	60.4 Å²	60.4	14%	0.14	31%	0.307	C	S	.	.	H	α-helix	trans	-59.6	-44	176.9	-177.8	-177.6	166.9	104	2.8	111.3	A85 C86 Y354 H355 L360 F361 S362 L369 P370	A85-R358 PolarHBondContact O-NH1 3.06Å; C86-R358 WeakPolarHBondContact O-CA 3.46Å; Y354-R358 WeakPolarHBondContact O-CB 3.48Å; Y354-R358 PolarHBondContact O-N 2.77Å; H355-R358 PolarHBondContact O-N 3.24Å; R358-L360 VanDerWaalsContact C-N 3.35Å; R358-F361 PolarHBondContact O-N 2.67Å; R358-S362 WeakPolarHBondContact O-CB 3.39Å; R358-S362 PolarHBondContact O-N 2.81Å; R358-L369 HydrophobicContact CG-CD1 3.74Å; R358-L369 PolarHBondContact NH2-O 2.88Å; R358-P370 VanDerWaalsContact CZ-O 3.24Å; R358-P370 PolarHBondContact NH1-O 2.7Å; R358-P370 PolarHBondContact NH2-O 2.67Å
359	D	98.1	Very high	96.7	Very high	102 Å²	102	61 Å²	61	55%	0.545	31%	0.31	S	S	.	.	H	α-helix	trans	-63.5	-41.8	176.6	-71.4	-14.4	0	0	0	111.5	H355 L356 L357 S362	H355-D359 PolarHBondContact O-N 2.88Å; L356-D359 PolarHBondContact O-N 3.38Å; L357-D359 VanDerWaalsContact C-N 3.31Å; L357-D359 PolarHBondContact O-N 3.28Å; D359-S362 PolarHBondContact O-OG 2.92Å
360	L	98.2	Very high	96.7	Very high	6 Å²	6	61.2 Å²	61.2	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-64.8	-48.9	176.4	177.9	60.7	0	0	0	112	V295 V298 R299 L302 L356 L357 R358 S362 Q363 Y364	V295-L360 HydrophobicContact CG1-CD2 4.43Å; V298-L360 HydrophobicContact CB-CD2 4.3Å; V298-L360 HydrophobicContact CG1-CD2 3.76Å; R299-L360 HydrophobicContact CB-CD1 4.35Å; R299-L360 HydrophobicContact CB-CD2 4.1Å; R299-L360 HydrophobicContact CG-CD1 4.21Å; L302-L360 HydrophobicContact CD1-CD2 4.04Å; L302-L360 HydrophobicContact CD1-CG 4.14Å; L356-L360 WeakPolarHBondContact O-CB 3.4Å; L356-L360 PolarHBondContact O-N 3.43Å; L357-L360 PolarHBondContact O-N 3.5Å; R358-L360 VanDerWaalsContact C-N 3.35Å; L360-S362 VanDerWaalsContact C-N 3.27Å; L360-S362 PolarHBondContact O-N 3.4Å; L360-Q363 WeakPolarHBondContact O-CB 3.49Å; L360-Q363 PolarHBondContact O-N 2.88Å; L360-Y364 HydrophobicContact CD1-CE2 4.17Å; L360-Y364 HydrophobicContact CG-CE2 4.45Å; L360-Y364 WeakPolarHBondContact O-CD2 3.31Å
361	F	98.1	Very high	96.6	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-69.2	-24.7	-177.8	-68.5	-38.5	0	0	0	113	L62 C86 I88 V298 L302 L310 L357 R358 Q363 Y364 H365	L62-F361 HydrophobicContact CD1-CD1 4.04Å; L62-F361 HydrophobicContact CD1-CG 4.49Å; L62-F361 HydrophobicContact CD2-CD1 4.15Å; L62-F361 HydrophobicContact CD2-CE1 4Å; C86-F361 WeakPolarHBondContact O-CD2 3.45Å; I88-F361 HydrophobicContact CG1-CE2 4.2Å; V298-F361 HydrophobicContact CG1-CE1 4.18Å; V298-F361 HydrophobicContact CG1-CZ 4.28Å; L302-F361 HydrophobicContact CD1-CD1 4.02Å; L302-F361 HydrophobicContact CD1-CE1 3.8Å; L310-F361 HydrophobicContact CD1-CE2 4Å; L310-F361 HydrophobicContact CD1-CZ 4.05Å; L357-F361 HydrophobicContact CB-CD2 4.28Å; L357-F361 HydrophobicContact CB-CE2 4.11Å; L357-F361 HydrophobicContact CD2-CE2 4.1Å; L357-F361 HydrophobicContact CD2-CZ 4.13Å; L357-F361 WeakPolarHBondContact O-CB 3.43Å; L357-F361 VanDerWaalsContact O-CD2 3.31Å; L357-F361 WeakPolarHBondContact O-CD2 3.19Å; L357-F361 WeakPolarHBondContact O-CG 3.38Å; L357-F361 PolarHBondContact O-N 2.96Å; R358-F361 PolarHBondContact O-N 2.67Å; F361-Q363 PolarHBondContact O-N 2.49Å; F361-Q363 VanDerWaalsContact O-N 3.14Å; F361-Y364 PolarHBondContact O-N 3.38Å; F361-H365 PolarHBondContact O-ND1 3.19Å
362	S	96.9	Very high	96.6	Very high	56 Å²	56	68.3 Å²	68.3	39%	0.392	35%	0.354	S	S	.	.	H	α-helix	trans	-55.9	-30.6	174.2	77.3	0	0	0	0	112.8	R358 D359 L360 Y364 H365	R358-S362 WeakPolarHBondContact O-CB 3.39Å; R358-S362 PolarHBondContact O-N 2.81Å; D359-S362 PolarHBondContact O-OG 2.92Å; L360-S362 VanDerWaalsContact C-N 3.27Å; L360-S362 PolarHBondContact O-N 3.4Å; S362-Y364 PolarHBondContact O-N 2.72Å; S362-H365 PolarHBondContact O-N 2.82Å
363	Q	95.9	Very high	96.6	Very high	146 Å²	146	65.9 Å²	65.9	68%	0.682	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-15.9	179.2	-57.3	171.7	28.5	0	0	113.3	L360 F361	L360-Q363 WeakPolarHBondContact O-CB 3.49Å; L360-Q363 PolarHBondContact O-N 2.88Å; F361-Q363 PolarHBondContact O-N 2.49Å; F361-Q363 VanDerWaalsContact O-N 3.14Å
364	Y	94.7	Very high	96.5	Very high	76 Å²	76	69.7 Å²	69.7	30%	0.298	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	8	179.7	-61.4	-86.6	0	0	0	112.5	R60 L302 L360 F361 S362	R60-Y364 VanDerWaalsContact NH1-CE1 3.31Å; L302-Y364 HydrophobicContact CB-CE1 4.11Å; L302-Y364 HydrophobicContact CB-CE2 4.16Å; L302-Y364 VanDerWaalsContact CB-OH 3.23Å; L302-Y364 WeakPolarHBondContact CB-OH 3.48Å; L302-Y364 HydrophobicContact CD1-CD2 4.11Å; L302-Y364 HydrophobicContact CD1-CE2 3.54Å; L302-Y364 HydrophobicContact CG-CE2 4.43Å; L360-Y364 HydrophobicContact CD1-CE2 4.17Å; L360-Y364 HydrophobicContact CG-CE2 4.45Å; L360-Y364 WeakPolarHBondContact O-CD2 3.31Å; F361-Y364 PolarHBondContact O-N 3.38Å; S362-Y364 PolarHBondContact O-N 2.72Å
365	H	93.4	Very high	96.2	Very high	58 Å²	58	73.7 Å²	73.7	27%	0.269	39%	0.392	S	S	.	.			trans	-116.8	137.6	175.9	-67.2	75.8	0	0	0	110.5	G87 F361 S362 E367 L369	G87-H365 PolarHBondContact O-CE1 2.96Å; G87-H365 PolarHBondContact O-NE2 3.03Å; F361-H365 PolarHBondContact O-ND1 3.19Å; S362-H365 PolarHBondContact O-N 2.82Å; H365-E367 WeakPolarHBondContact CB-O 3.25Å; H365-L369 HydrophobicContact CB-CD2 4.14Å
366	S	88.6	Confident	95.9	Very high	127 Å²	127	74.9 Å²	74.9	89%	0.888	39%	0.394	S	S	*	.	S	Bend	trans	-77.3	-25.4	172.3	55.6	0	0	0	0	112.7
367	E	91	Very high	95.6	Very high	145 Å²	145	80.4 Å²	80.4	68%	0.678	41%	0.41	S	S	*	.	S	Bend	trans	-104.7	153.5	-179.9	-65.6	179.3	-174.9	0	0	110.5	H365 L369	H365-E367 WeakPolarHBondContact CB-O 3.25Å; E367-L369 PolarHBondContact O-N 2.93Å
368	K	94.4	Very high	95.4	Very high	176 Å²	176	81.6 Å²	81.6	77%	0.765	42%	0.416	S	S	*	.	P	Polyproline II helix	trans	-60.8	132.3	174.2	-173.5	-172.6	173.4	-164.7	0	109.6	D371	K368-D371 IonicContact NZ-OD1 3.7Å
369	L	97.1	Very high	95.3	Very high	14 Å²	14	82.2 Å²	82.2	7%	0.073	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-59.8	142.2	174.8	-63.7	-175.9	0	0	0	111.2	R358 H365 E367	R358-L369 HydrophobicContact CG-CD1 3.74Å; R358-L369 PolarHBondContact NH2-O 2.88Å; H365-L369 HydrophobicContact CB-CD2 4.14Å; E367-L369 PolarHBondContact O-N 2.93Å
370	P	97.4	Very high	95.2	Very high	61 Å²	61	81 Å²	81	40%	0.396	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-54.2	152.2	175.9	-25.2	34.3	0	0	0	112.3	K84 R358	K84-P370 HydrophobicContact CG-CG 4.34Å; R358-P370 VanDerWaalsContact CZ-O 3.24Å; R358-P370 PolarHBondContact NH1-O 2.7Å; R358-P370 PolarHBondContact NH2-O 2.67Å
371	D	97.3	Very high	95.1	Very high	122 Å²	122	81.2 Å²	81.2	65%	0.652	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-62.3	149.3	175.8	-63.5	-33.8	0	0	0	111	K368 P373	K368-D371 IonicContact NZ-OD1 3.7Å; D371-P373 WeakPolarHBondContact O-CD 3.46Å
372	M	97.9	Very high	95	Very high	85 Å²	85	87.9 Å²	87.9	42%	0.419	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-70.6	125.8	179	-62.5	-173.5	-56.8	0	0	109.6	Y350 Y354	Y350-M372 HydrophobicContact CE2-CB 4.29Å; Y354-M372 HydrophobicContact CD1-SD 4.48Å; Y354-M372 HydrophobicContact CE1-CG 4.28Å; Y354-M372 HydrophobicContact CE1-SD 3.69Å
373	P	97.5	Very high	95	Very high	27 Å²	27	87.2 Å²	87.2	18%	0.175	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-53.4	146	171.9	-27.3	34.6	0	0	0	112.4	M81 K82 Y350 D371	M81-P373 HydrophobicContact CB-CG 3.72Å; K82-P373 HydrophobicContact CG-CB 4.28Å; K82-P373 HydrophobicContact CG-CG 4Å; Y350-P373 VanDerWaalsContact OH-CD 3.26Å; Y350-P373 WeakPolarHBondContact OH-CD 3.34Å; Y350-P373 PolarHBondContact OH-O 3.38Å; D371-P373 WeakPolarHBondContact O-CD 3.46Å
374	A	96.1	Very high	95.1	Very high	86 Å²	86	80.2 Å²	80.2	71%	0.711	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-61.1	142.3	175	0	0	0	0	0	110.8
375	L	94.3	Very high	95.1	Very high	84 Å²	84	81.2 Å²	81.2	44%	0.44	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-65.8	147.7	173	-69	178.1	0	0	0	110.3	E349 Y350	E349-L375 HydrophobicContact CB-CD2 4.44Å; E349-L375 HydrophobicContact CG-CD2 4.4Å; Y350-L375 HydrophobicContact CD2-CD1 4.39Å; Y350-L375 HydrophobicContact CD2-CD2 3.59Å; Y350-L375 HydrophobicContact CD2-CG 4.05Å; Y350-L375 HydrophobicContact CE2-CD2 3.62Å; Y350-L375 HydrophobicContact CE2-CG 4.04Å; Y350-L375 HydrophobicContact CG-CD2 4.38Å
376	R	91.4	Very high	95.2	Very high	103 Å²	103	78.6 Å²	78.6	39%	0.389	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-80.2	142.8	174.8	-55.5	-172.4	97.8	-104.9	7.1	108.2	Y75	Y75-R376 PolarHBondContact OH-NH1 2.71Å
377	W	91.4	Very high	95.6	Very high	177 Å²	177	76.2 Å²	76.2	67%	0.67	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-66.6	144.1	176.2	-171.8	-104.6	0	0	0	110.1	S560	W377-S560 WeakPolarHBondContact O-CB 3.31Å
378	K	95.4	Very high	95.9	Very high	26 Å²	26	71.9 Å²	71.9	11%	0.113	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-119.3	150	170.6	-69.3	-171.3	-64	-70.9	0	108.7	E349 D561 F563 E623	E349-K378 IonicContact OE1-NZ 2.93Å; E349-K378 PolarHBondContact OE1-NZ 3.29Å; E349-K378 IonicContact OE2-NZ 3.21Å; E349-K378 PolarHBondContact OE2-NZ 3.04Å; K378-D561 CarbonylContact C-O 3.57Å; K378-D561 WeakPolarHBondContact CA-O 2.97Å; K378-D561 HydrophobicContact CG-CB 3.85Å; K378-F563 HydrophobicContact CD-CD2 4.5Å; K378-F563 HydrophobicContact CD-CE2 3.72Å; K378-E623 HydrophobicContact CB-CG 4.18Å; K378-E623 WeakPolarHBondContact CD-O 3.14Å; K378-E623 WeakPolarHBondContact CE-O 3.48Å
379	E	94.9	Very high	96	Very high	50 Å²	50	63.6 Å²	63.6	23%	0.234	32%	0.323	C	S	.	.			trans	-133.3	135.8	-173.5	-171.2	166.9	-179.5	0	0	111.7	Y381 D561 T562	E379-Y381 HydrophobicContact CB-CE1 4.21Å; E379-Y381 HydrophobicContact CB-CE2 4.19Å; E379-Y381 VanDerWaalsContact CD-CE1 3.45Å; E379-Y381 HydrophobicContact CG-CD1 4.06Å; E379-Y381 HydrophobicContact CG-CE1 3.91Å; E379-Y381 HydrophobicContact CG-CG 4.48Å; E379-Y381 PolarHBondContact O-N 3.01Å; E379-Y381 WeakPolarHBondContact OE2-CE1 3.47Å; E379-D561 PolarHBondContact N-O 2.99Å; E379-T562 VanDerWaalsContact O-CB 3.24Å; E379-T562 WeakPolarHBondContact O-CB 3.25Å; E379-T562 PolarHBondContact O-OG1 2.78Å
380	T	96.9	Very high	96	Very high	76 Å²	76	63 Å²	63	47%	0.466	32%	0.319	S	S	.	.			trans	-85.6	95.3	167	-55.5	0	0	0	0	107.9	F621 E623	T380-F621 VanDerWaalsContact CG2-O 3.23Å; T380-F621 WeakPolarHBondContact CG2-O 3.42Å; T380-E623 PolarHBondContact N-OE1 3.48Å; T380-E623 VanDerWaalsContact OG1-CD 3.3Å; T380-E623 VanDerWaalsContact OG1-CG 3.29Å; T380-E623 WeakPolarHBondContact OG1-CG 3.16Å; T380-E623 PolarHBondContact OG1-OE1 2.96Å
381	Y	96.8	Very high	96	Very high	10 Å²	10	60.3 Å²	60.3	4%	0.039	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-74.8	159.5	177.1	-62.1	-75.2	0	0	0	112.2	E379 M553 T555 S560 T562 L600 F621	E379-Y381 HydrophobicContact CB-CE1 4.21Å; E379-Y381 HydrophobicContact CB-CE2 4.19Å; E379-Y381 VanDerWaalsContact CD-CE1 3.45Å; E379-Y381 HydrophobicContact CG-CD1 4.06Å; E379-Y381 HydrophobicContact CG-CE1 3.91Å; E379-Y381 HydrophobicContact CG-CG 4.48Å; E379-Y381 PolarHBondContact O-N 3.01Å; E379-Y381 WeakPolarHBondContact OE2-CE1 3.47Å; Y381-M553 HydrophobicContact CD1-CE 4.5Å; Y381-M553 HydrophobicContact CD2-CE 3.68Å; Y381-M553 HydrophobicContact CE2-CE 4.22Å; Y381-M553 HydrophobicContact CG-CE 3.81Å; Y381-T555 HydrophobicContact CD1-CG2 4.06Å; Y381-T555 HydrophobicContact CE1-CG2 3.65Å; Y381-S560 PolarHBondContact OH-N 3.12Å; Y381-S560 PolarHBondContact OH-O 2.92Å; Y381-T562 HydrophobicContact CD2-CG2 3.77Å; Y381-T562 HydrophobicContact CE2-CG2 3.75Å; Y381-L600 HydrophobicContact CE2-CD1 3.87Å; Y381-F621 HydrophobicContact CD2-CB 4.5Å; Y381-F621 HydrophobicContact CD2-CG 4.49Å
382	E	96.5	Very high	96	Very high	140 Å²	140	54.5 Å²	54.5	65%	0.654	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-57.4	143.2	169.9	-68.9	-63.2	159	0	0	111.4	A384 F621	E382-A384 PolarHBondContact O-N 2.97Å; E382-F621 WeakPolarHBondContact O-CD2 3.25Å; E382-F621 WeakPolarHBondContact O-CE2 3.43Å
383	P	96.7	Very high	96	Very high	42 Å²	42	51.4 Å²	51.4	27%	0.273	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-56.1	138.7	-179.2	-25.8	34.4	0	0	0	113.2	I385 K618 I619 T620	P383-I385 HydrophobicContact CB-CD1 4.34Å; P383-I385 PolarHBondContact O-N 3.05Å; P383-K618 HydrophobicContact CB-CD 4.35Å; P383-K618 VanDerWaalsContact CB-CE 3.42Å; P383-K618 HydrophobicContact CB-CG 4.08Å; P383-I619 CarbonylContact C-O 3.56Å; P383-I619 WeakPolarHBondContact CA-O 3.43Å; P383-I619 WeakPolarHBondContact CB-O 3.22Å; P383-T620 HydrophobicContact CB-CG2 4.36Å; P383-T620 HydrophobicContact CG-CG2 4.3Å
384	A	96.5	Very high	95.9	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	117.8	169.9	0	0	0	0	0	109	E382 M386 R552 M553 V607 I619 F621	E382-A384 PolarHBondContact O-N 2.97Å; A384-M386 HydrophobicContact CB-CE 3.85Å; A384-M386 WeakPolarHBondContact O-CE 3.31Å; A384-R552 WeakPolarHBondContact CA-O 3.48Å; A384-M553 HydrophobicContact CB-CB 4.06Å; A384-V607 HydrophobicContact CB-CB 4.5Å; A384-V607 HydrophobicContact CB-CG2 4.05Å; A384-I619 HydrophobicContact CB-CB 4.3Å; A384-I619 PolarHBondContact N-O 3.24Å; A384-I619 PolarHBondContact O-N 3.36Å; A384-F621 HydrophobicContact CB-CE2 3.95Å; A384-F621 HydrophobicContact CB-CZ 4.1Å
385	I	95.1	Very high	95.9	Very high	96 Å²	96	48.8 Å²	48.8	49%	0.492	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	124.5	175.7	-52.4	-55.9	0	0	0	108.3	P383 G551 K618	P383-I385 HydrophobicContact CB-CD1 4.34Å; P383-I385 PolarHBondContact O-N 3.05Å; I385-G551 WeakPolarHBondContact O-CA 3.25Å; I385-K618 HydrophobicContact CD1-CB 4.37Å; I385-K618 HydrophobicContact CD1-CD 4.28Å; I385-K618 HydrophobicContact CD1-CG 3.95Å
386	M	96.3	Very high	96	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.015	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	141.9	171.7	-54.8	-56.4	108.6	0	0	108	A384 L539 F549 G551 W569 V607 Y617 I619	A384-M386 HydrophobicContact CB-CE 3.85Å; A384-M386 WeakPolarHBondContact O-CE 3.31Å; M386-L539 VanDerWaalsContact C-CD1 3.45Å; M386-L539 HydrophobicContact CB-CD1 4.07Å; M386-L539 HydrophobicContact CB-CD2 4.45Å; M386-L539 WeakPolarHBondContact O-CD1 3.34Å; M386-F549 HydrophobicContact CB-CB 4.39Å; M386-F549 HydrophobicContact CG-CB 4.01Å; M386-F549 HydrophobicContact SD-CB 4.12Å; M386-G551 PolarHBondContact SD-N 3.42Å; M386-W569 HydrophobicContact CG-CH2 4.03Å; M386-W569 HydrophobicContact CG-CZ2 4.03Å; M386-V607 HydrophobicContact CE-CB 4.39Å; M386-V607 HydrophobicContact CE-CG1 4.18Å; M386-Y617 WeakPolarHBondContact CB-O 3.24Å; M386-Y617 WeakPolarHBondContact CG-O 3.19Å; M386-Y617 PolarHBondContact N-O 2.81Å; M386-I619 HydrophobicContact CE-CB 4.46Å; M386-I619 HydrophobicContact CE-CD1 3.43Å; M386-I619 VanDerWaalsContact CE-CD1 3.43Å; M386-I619 HydrophobicContact CE-CG1 3.94Å; M386-I619 HydrophobicContact SD-CD1 4.18Å
387	Y	96	Very high	96.1	Very high	77 Å²	77	45.9 Å²	45.9	30%	0.302	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	-10.9	179.5	56.4	-91.5	0	0	0	112.9	L539 L550 G551 R552	Y387-L539 PolarHBondContact O-N 2.96Å; Y387-L550 HydrophobicContact CE2-CD2 4.43Å; Y387-L550 HydrophobicContact CE2-CG 4.33Å; Y387-L550 PolarHBondContact N-O 2.9Å; Y387-G551 VanDerWaalsContact CE1-C 3.49Å; Y387-G551 VanDerWaalsContact CE1-CA 3.47Å; Y387-R552 HydrophobicContact CE1-CB 4.19Å; Y387-R552 HydrophobicContact CE1-CG 3.77Å; Y387-R552 PolarHBondContact OH-NE 2.63Å
388	Q	97.1	Very high	96.2	Very high	55 Å²	55	40.3 Å²	40.3	26%	0.257	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	147.3	178.3	-87.8	176.9	-41.5	0	0	111.8	W536 M537 F549 L550	Q388-W536 HydrophobicContact CB-CB 4.06Å; Q388-W536 HydrophobicContact CB-CD2 4.3Å; Q388-W536 HydrophobicContact CB-CE3 3.8Å; Q388-W536 HydrophobicContact CB-CG 4.45Å; Q388-W536 HydrophobicContact CG-CB 3.97Å; Q388-M537 CarbonylContact C-O 3.39Å; Q388-M537 VanDerWaalsContact CA-O 3.23Å; Q388-M537 WeakPolarHBondContact CA-O 3.17Å; Q388-F549 WeakPolarHBondContact O-CA 3.15Å; Q388-L550 HydrophobicContact CB-CB 4.02Å; Q388-L550 HydrophobicContact CB-CD2 4.41Å; Q388-L550 HydrophobicContact CB-CG 4.49Å; Q388-L550 PolarHBondContact N-O 3.4Å; Q388-L550 PolarHBondContact O-N 2.88Å
389	H	97.8	Very high	96	Very high	2 Å²	2	40 Å²	40	1%	0.009	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	143.1	176.2	166.9	-100.4	0	0	0	110.3	M537 L539 S544 F548 F549	H389-M537 PolarHBondContact N-O 3.02Å; H389-M537 PolarHBondContact O-N 2.81Å; H389-L539 HydrophobicContact CB-CD2 3.89Å; H389-S544 PolarHBondContact CE1-OG 3.33Å; H389-S544 VanDerWaalsContact CE1-OG 3.23Å; H389-S544 PolarHBondContact NE2-O 3.34Å; H389-F548 WeakPolarHBondContact CA-O 3.41Å; H389-F549 HydrophobicContact CB-CD1 4.35Å; H389-F549 HydrophobicContact CB-CE1 4.25Å; H389-F549 AromaticContact CD2-CE1 3.47Å; H389-F549 VanDerWaalsContact CD2-CE1 3.47Å; H389-F549 WeakPolarHBondContact CD2-CE1 3.29Å; H389-F549 AromaticContact CD2-CZ 3.58Å
390	L	97.5	Very high	95.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	121.4	175	177.4	69.5	0	0	0	108	D394 A395 L531 A534 P535 W536 G547 F548	L390-D394 HydrophobicContact CD1-CB 3.7Å; L390-A395 HydrophobicContact CD2-CB 3.82Å; L390-A395 HydrophobicContact CG-CB 4.18Å; L390-L531 HydrophobicContact CD2-CB 4.48Å; L390-L531 HydrophobicContact CD2-CD1 4.46Å; L390-L531 HydrophobicContact CD2-CD2 4.04Å; L390-A534 HydrophobicContact CD1-CB 4.02Å; L390-A534 HydrophobicContact CD2-CB 3.54Å; L390-A534 HydrophobicContact CG-CB 4.44Å; L390-P535 HydrophobicContact CD1-CG 4.47Å; L390-W536 HydrophobicContact CB-CD2 3.95Å; L390-W536 HydrophobicContact CB-CE3 3.54Å; L390-W536 HydrophobicContact CB-CH2 4.04Å; L390-W536 HydrophobicContact CB-CZ2 4.38Å; L390-W536 HydrophobicContact CB-CZ3 3.6Å; L390-W536 HydrophobicContact CD2-CH2 4.45Å; L390-W536 HydrophobicContact CD2-CZ2 4.14Å; L390-G547 CarbonylContact O-C 3.53Å; L390-G547 WeakPolarHBondContact O-CA 3.17Å; L390-F548 HydrophobicContact CB-CB 4.34Å; L390-F548 HydrophobicContact CD2-CD2 4.5Å; L390-F548 PolarHBondContact N-O 2.86Å; L390-F548 PolarHBondContact O-N 3.04Å
391	S	97.1	Very high	95.7	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.042	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	152.1	176.9	83.6	0	0	0	0	110.8	W393 D394 A395 S544	S391-W393 PolarHBondContact O-N 3.09Å; S391-D394 WeakPolarHBondContact CB-OD2 3.38Å; S391-D394 PolarHBondContact O-N 3.35Å; S391-D394 PolarHBondContact OG-N 3.36Å; S391-D394 VanDerWaalsContact OG-N 3.12Å; S391-D394 PolarHBondContact OG-OD2 2.75Å; S391-A395 PolarHBondContact O-N 2.8Å; S391-A395 VanDerWaalsContact O-N 3.08Å; S391-S544 WeakPolarHBondContact CB-OG 3.18Å
392	L	97.6	Very high	95.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-52.3	-44.6	172.8	173.8	61.7	0	0	0	111.7	D394 A395 L396 L482 L521 P546 F610	L392-D394 VanDerWaalsContact C-N 3.34Å; L392-D394 PolarHBondContact O-N 3.16Å; L392-A395 WeakPolarHBondContact O-CB 3.41Å; L392-A395 PolarHBondContact O-N 2.96Å; L392-A395 VanDerWaalsContact O-N 3.15Å; L392-L396 HydrophobicContact CD1-CD2 4.4Å; L392-L396 WeakPolarHBondContact O-CG 3.38Å; L392-L396 PolarHBondContact O-N 3.23Å; L392-L396 VanDerWaalsContact O-N 3.09Å; L392-L482 HydrophobicContact CD2-CD1 3.98Å; L392-L482 HydrophobicContact CD2-CD2 3.78Å; L392-L482 HydrophobicContact CD2-CG 4.39Å; L392-L521 HydrophobicContact CD1-CD1 3.62Å; L392-P546 HydrophobicContact CB-CB 4.36Å; L392-P546 VanDerWaalsContact CB-O 3.25Å; L392-P546 WeakPolarHBondContact CB-O 3.41Å; L392-P546 HydrophobicContact CD2-CB 4.23Å; L392-P546 HydrophobicContact CD2-CG 4.3Å; L392-P546 PolarHBondContact N-O 2.9Å; L392-F610 HydrophobicContact CD1-CE2 4.21Å
393	W	96.6	Very high	95.7	Very high	19 Å²	19	46 Å²	46	7%	0.072	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-35.6	-176	-62.2	-90	0	0	0	112.9	S391 L396 F452 R455 F545	S391-W393 PolarHBondContact O-N 3.09Å; W393-L396 PolarHBondContact O-N 2.97Å; W393-F452 HydrophobicContact CH2-CD1 4.22Å; W393-F452 HydrophobicContact CH2-CE1 4.17Å; W393-F452 HydrophobicContact CZ2-CD1 4.16Å; W393-F452 HydrophobicContact CZ2-CE1 4.45Å; W393-F452 HydrophobicContact CZ2-CG 4.31Å; W393-R455 HydrophobicContact CD2-CB 4.43Å; W393-R455 HydrophobicContact CD2-CG 4.19Å; W393-R455 HydrophobicContact CG-CG 4.31Å; W393-R455 HydrophobicContact CH2-CB 4.34Å; W393-R455 HydrophobicContact CZ2-CB 3.86Å; W393-R455 HydrophobicContact CZ2-CG 4.22Å; W393-F545 VanDerWaalsContact CH2-O 3.25Å; W393-F545 WeakPolarHBondContact CH2-O 3.15Å; W393-F545 WeakPolarHBondContact CZ3-O 3.3Å
394	D	96.3	Very high	95.8	Very high	58 Å²	58	51.4 Å²	51.4	31%	0.31	25%	0.253	S	S	.	.	H	α-helix	trans	-72.1	-36	174.5	-59.6	-42.5	0	0	0	110.9	L390 S391 L392 L396 T397	L390-D394 HydrophobicContact CD1-CB 3.7Å; S391-D394 WeakPolarHBondContact CB-OD2 3.38Å; S391-D394 PolarHBondContact O-N 3.35Å; S391-D394 PolarHBondContact OG-N 3.36Å; S391-D394 VanDerWaalsContact OG-N 3.12Å; S391-D394 PolarHBondContact OG-OD2 2.75Å; L392-D394 VanDerWaalsContact C-N 3.34Å; L392-D394 PolarHBondContact O-N 3.16Å; D394-L396 VanDerWaalsContact C-N 3.26Å; D394-L396 PolarHBondContact O-N 2.62Å; D394-T397 PolarHBondContact O-N 3.24Å; D394-T397 PolarHBondContact O-OG1 3.08Å
395	A	96.8	Very high	95.9	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-65.5	-24.8	176.1	0	0	0	0	0	113.5	L390 S391 L392 T397 F398 L531 F548	L390-A395 HydrophobicContact CD2-CB 3.82Å; L390-A395 HydrophobicContact CG-CB 4.18Å; S391-A395 PolarHBondContact O-N 2.8Å; S391-A395 VanDerWaalsContact O-N 3.08Å; L392-A395 WeakPolarHBondContact O-CB 3.41Å; L392-A395 PolarHBondContact O-N 2.96Å; L392-A395 VanDerWaalsContact O-N 3.15Å; A395-T397 PolarHBondContact O-N 3.46Å; A395-T397 VanDerWaalsContact O-N 3.12Å; A395-F398 PolarHBondContact O-N 3.35Å; A395-L531 HydrophobicContact CB-CD2 4.02Å; A395-F548 HydrophobicContact CB-CD2 4.03Å; A395-F548 HydrophobicContact CB-CE2 3.69Å
396	L	95.3	Very high	96	Very high	18 Å²	18	51.5 Å²	51.5	9%	0.094	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-58.3	-26.4	178.7	-64.7	179.7	0	0	0	113.1	L392 W393 D394 F398 A399 L428 Y519 L521	L392-L396 HydrophobicContact CD1-CD2 4.4Å; L392-L396 WeakPolarHBondContact O-CG 3.38Å; L392-L396 PolarHBondContact O-N 3.23Å; L392-L396 VanDerWaalsContact O-N 3.09Å; W393-L396 PolarHBondContact O-N 2.97Å; D394-L396 VanDerWaalsContact C-N 3.26Å; D394-L396 PolarHBondContact O-N 2.62Å; L396-F398 PolarHBondContact O-N 3.06Å; L396-A399 WeakPolarHBondContact O-CB 3.36Å; L396-A399 PolarHBondContact O-N 3.22Å; L396-A399 VanDerWaalsContact O-N 3.16Å; L396-L428 HydrophobicContact CD1-CD2 3.6Å; L396-L428 HydrophobicContact CD2-CD2 4.17Å; L396-L428 HydrophobicContact CG-CD2 4.48Å; L396-Y519 HydrophobicContact CB-CD1 4.16Å; L396-Y519 HydrophobicContact CB-CE1 4.22Å; L396-Y519 HydrophobicContact CD1-CD1 4.1Å; L396-Y519 HydrophobicContact CD1-CD2 4.35Å; L396-Y519 HydrophobicContact CD1-CE1 4.02Å; L396-Y519 HydrophobicContact CD1-CE2 4.27Å; L396-Y519 HydrophobicContact CD1-CG 4.28Å; L396-Y519 HydrophobicContact CD2-CD1 3.99Å; L396-Y519 HydrophobicContact CD2-CG 4Å; L396-Y519 HydrophobicContact CG-CD1 4.29Å; L396-L521 HydrophobicContact CD2-CD1 4.31Å; L396-L521 HydrophobicContact CD2-CD2 4.09Å
397	T	93.9	Very high	96.1	Very high	109 Å²	109	54.2 Å²	54.2	67%	0.669	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-67	-15.6	177	60	0	0	0	0	113.6	D394 A395	D394-T397 PolarHBondContact O-N 3.24Å; D394-T397 PolarHBondContact O-OG1 3.08Å; A395-T397 PolarHBondContact O-N 3.46Å; A395-T397 VanDerWaalsContact O-N 3.12Å
398	F	94.2	Very high	96.2	Very high	60 Å²	60	51.4 Å²	51.4	26%	0.263	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-104	-3.1	177.4	-63.6	-91	0	0	0	112.7	A395 L396 F527 L531 Q533 A534	A395-F398 PolarHBondContact O-N 3.35Å; L396-F398 PolarHBondContact O-N 3.06Å; F398-F527 HydrophobicContact CB-CE2 4.44Å; F398-L531 HydrophobicContact CB-CD2 4Å; F398-L531 HydrophobicContact CG-CD2 4.38Å; F398-Q533 HydrophobicContact CE1-CB 4.02Å; F398-A534 HydrophobicContact CD2-CB 3.98Å; F398-A534 HydrophobicContact CE2-CB 3.6Å; F398-A534 HydrophobicContact CZ-CB 3.93Å
399	A	91.5	Very high	96.2	Very high	20 Å²	20	50 Å²	50	17%	0.165	26%	0.263	C	S	.	.	S	Bend	trans	-79.7	170.5	172.5	0	0	0	0	0	111.1	L396 L521 F527	L396-A399 WeakPolarHBondContact O-CB 3.36Å; L396-A399 PolarHBondContact O-N 3.22Å; L396-A399 VanDerWaalsContact O-N 3.16Å; A399-L521 HydrophobicContact CB-CD2 4.09Å; A399-F527 HydrophobicContact CB-CD2 4.48Å; A399-F527 HydrophobicContact CB-CE2 4.03Å
400	E	90.6	Very high	96.2	Very high	94 Å²	94	50.8 Å²	50.8	44%	0.439	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-58.9	155.2	168.4	-67	-173.6	-169.8	0	0	111	V416	E400-V416 WeakPolarHBondContact OE2-CB 3.15Å
401	E	93.1	Very high	96.3	Very high	183 Å²	183	50.8 Å²	50.8	86%	0.855	27%	0.268	S	S	*	.	P	Polyproline II helix	trans	-54.7	134.8	179.4	-69.8	-169.5	164.6	0	0	111.4
402	P	96.6	Very high	96.3	Very high	53 Å²	53	50.5 Å²	50.5	34%	0.344	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-68.1	141.1	-177.4	25.8	-33.2	0	0	0	111.9	T517 I518 Y519	P402-T517 HydrophobicContact CB-CG2 3.62Å; P402-T517 HydrophobicContact CG-CG2 4.1Å; P402-I518 CarbonylContact C-O 3.57Å; P402-I518 WeakPolarHBondContact CA-O 3.31Å; P402-Y519 HydrophobicContact CB-CD1 3.66Å; P402-Y519 HydrophobicContact CB-CD2 4.4Å; P402-Y519 HydrophobicContact CB-CE1 3.54Å; P402-Y519 HydrophobicContact CB-CE2 4.31Å; P402-Y519 HydrophobicContact CB-CG 4.09Å; P402-Y519 HydrophobicContact CG-CD1 4.2Å; P402-Y519 HydrophobicContact CG-CE1 3.69Å
403	F	97.7	Very high	96.3	Very high	71 Å²	71	52 Å²	52	31%	0.311	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	128.5	175.8	179.4	-122.5	0	0	0	110.9	V409 L414 P415 I518	F403-V409 HydrophobicContact CE1-CG2 4.11Å; F403-L414 HydrophobicContact CD1-CD2 4.14Å; F403-P415 HydrophobicContact CB-CG 4.15Å; F403-P415 HydrophobicContact CD1-CG 4.06Å; F403-P415 HydrophobicContact CD2-CG 3.38Å; F403-P415 HydrophobicContact CE1-CG 4.31Å; F403-P415 HydrophobicContact CE2-CG 3.7Å; F403-P415 HydrophobicContact CG-CG 3.59Å; F403-P415 HydrophobicContact CZ-CG 4.15Å; F403-I518 HydrophobicContact CD1-CD1 4.35Å; F403-I518 PolarHBondContact N-O 3.17Å; F403-I518 PolarHBondContact O-N 3.25Å
404	K	98.4	Very high	96.3	Very high	155 Å²	155	51.2 Å²	51.2	67%	0.674	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.8	176	-65.4	-175.6	-179.5	179.9	0	110.7	F516	K404-F516 CarbonylContact C-O 3.52Å; K404-F516 WeakPolarHBondContact CA-O 3.41Å
405	S	98.3	Very high	96.3	Very high	13 Å²	13	51.9 Å²	51.9	9%	0.091	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	138.3	-177.6	179.8	0	0	0	0	111.9	T407 D515 F516	S405-T407 VanDerWaalsContact CB-O 3.23Å; S405-T407 WeakPolarHBondContact CB-O 3.47Å; S405-T407 PolarHBondContact O-N 3.22Å; S405-T407 PolarHBondContact OG-N 3.13Å; S405-T407 PolarHBondContact OG-O 2.93Å; S405-D515 CarbonylContact O-C 3.53Å; S405-F516 PolarHBondContact N-O 2.93Å; S405-F516 PolarHBondContact O-N 2.95Å
406	P	98.1	Very high	96.2	Very high	85 Å²	85	52.3 Å²	52.3	55%	0.552	28%	0.281	S	S	*	.	S	Bend	trans	-60.8	-26.7	174.2	-23.4	34.1	0	0	0	113.7	R514 D515	P406-R514 VanDerWaalsContact O-CA 3.25Å; P406-R514 WeakPolarHBondContact O-CA 2.85Å; P406-R514 WeakPolarHBondContact O-CB 3.4Å; P406-R514 WeakPolarHBondContact O-CD 3.37Å; P406-D515 PolarHBondContact O-N 3.41Å
407	T	98.2	Very high	96	Very high	61 Å²	61	52 Å²	52	37%	0.374	28%	0.28	S	S	.	.	S	Bend	trans	-127.6	160.1	-179	58.1	0	0	0	0	110.7	S405	S405-T407 VanDerWaalsContact CB-O 3.23Å; S405-T407 WeakPolarHBondContact CB-O 3.47Å; S405-T407 PolarHBondContact O-N 3.22Å; S405-T407 PolarHBondContact OG-N 3.13Å; S405-T407 PolarHBondContact OG-O 2.93Å
408	P	97.6	Very high	95.9	Very high	17 Å²	17	52.5 Å²	52.5	11%	0.11	29%	0.288	C	S	.	.			trans	-55.6	145.1	170.4	-22.7	33.7	0	0	0	111.9	L502 F516	P408-L502 HydrophobicContact CB-CB 3.69Å; P408-L502 HydrophobicContact CB-CD1 4.12Å; P408-L502 HydrophobicContact CG-CD1 4.43Å; P408-F516 HydrophobicContact CG-CD2 4.03Å; P408-F516 HydrophobicContact CG-CE2 3.55Å; P408-F516 HydrophobicContact CG-CZ 3.96Å
409	V	98.1	Very high	95.7	Very high	25 Å²	25	51.4 Å²	51.4	15%	0.152	29%	0.293	C	S	.	.			trans	-130.9	125.5	175.9	177.9	0	0	0	0	108.8	F403 N413 L414 Y429 I518	F403-V409 HydrophobicContact CE1-CG2 4.11Å; V409-N413 HydrophobicContact CG1-CB 3.77Å; V409-L414 HydrophobicContact CB-CD2 4.14Å; V409-L414 HydrophobicContact CG1-CD2 4Å; V409-Y429 VanDerWaalsContact O-CE1 3.29Å; V409-Y429 WeakPolarHBondContact O-CE1 3.19Å; V409-Y429 PolarHBondContact O-OH 2.77Å; V409-I518 HydrophobicContact CB-CD1 4.09Å; V409-I518 HydrophobicContact CG2-CD1 4.5Å
410	N	98	Very high	95.9	Very high	19 Å²	19	51.2 Å²	51.2	10%	0.102	29%	0.289	C	S	.	.			trans	-64.1	158.9	178.5	66.4	66.7	0	0	0	112	E412 N413 L414 R499 K500 L502 V503	N410-E412 VanDerWaalsContact C-N 3.29Å; N410-E412 PolarHBondContact O-N 3.16Å; N410-E412 PolarHBondContact OD1-N 3.3Å; N410-E412 PolarHBondContact OD1-OE2 2.47Å; N410-N413 PolarHBondContact ND2-ND2 2.87Å; N410-N413 VanDerWaalsContact ND2-ND2 3.19Å; N410-N413 PolarHBondContact O-N 2.92Å; N410-N413 VanDerWaalsContact O-N 3.08Å; N410-N413 WeakPolarHBondContact OD1-CB 3.27Å; N410-N413 PolarHBondContact OD1-N 3.24Å; N410-L414 PolarHBondContact O-N 3.01Å; N410-R499 HydrophobicContact CB-CB 4.24Å; N410-K500 CarbonylContact C-O 3.53Å; N410-K500 WeakPolarHBondContact CA-O 3.32Å; N410-K500 VanDerWaalsContact CB-O 3.27Å; N410-K500 WeakPolarHBondContact CB-O 3.18Å; N410-L502 WeakPolarHBondContact CA-O 3.16Å; N410-L502 PolarHBondContact N-O 3.39Å; N410-V503 HydrophobicContact CB-CG1 4.22Å
411	M	97.8	Very high	96.1	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-52.9	-44.9	-175.9	-72	175.5	70.9	0	0	112.7	N413 L414 Q422 T427 N485 K500	M411-N413 VanDerWaalsContact C-N 3.28Å; M411-N413 PolarHBondContact O-N 2.66Å; M411-L414 PolarHBondContact O-N 2.63Å; M411-Q422 HydrophobicContact CB-CB 4.14Å; M411-Q422 WeakPolarHBondContact CB-O 3.48Å; M411-Q422 HydrophobicContact CE-CB 4.4Å; M411-Q422 HydrophobicContact CE-CG 3.78Å; M411-Q422 PolarHBondContact O-N 2.72Å; M411-T427 WeakPolarHBondContact CG-OG1 3.28Å; M411-N485 HydrophobicContact CE-CB 3.76Å; M411-N485 HydrophobicContact SD-CB 3.76Å; M411-K500 HydrophobicContact CB-CB 4.31Å; M411-K500 WeakPolarHBondContact CB-O 3.31Å; M411-K500 HydrophobicContact CG-CB 4.23Å; M411-K500 WeakPolarHBondContact CG-O 3.39Å; M411-K500 PolarHBondContact N-O 3.15Å; M411-K500 HydrophobicContact SD-CB 3.4Å; M411-K500 WeakPolarHBondContact SD-CB 3.49Å
412	E	97.9	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-66.1	-32.9	-176.8	-63.2	81.7	-176.9	0	0	111.7	L151 R152 N410 G421 R488 R499 K500	L151-E412 HydrophobicContact CB-CB 4.49Å; L151-E412 HydrophobicContact CB-CG 4.13Å; R152-E412 WeakPolarHBondContact CD-O 3.33Å; R152-E412 HydrophobicContact CG-CB 4.3Å; R152-E412 WeakPolarHBondContact CG-O 3.44Å; R152-E412 PolarHBondContact NH1-O 2.93Å; N410-E412 VanDerWaalsContact C-N 3.29Å; N410-E412 PolarHBondContact O-N 3.16Å; N410-E412 PolarHBondContact OD1-N 3.3Å; N410-E412 PolarHBondContact OD1-OE2 2.47Å; E412-G421 WeakPolarHBondContact O-CA 3.09Å; E412-R488 IonicContact OE1-CZ 3.67Å; E412-R488 IonicContact OE1-NE 2.73Å; E412-R488 PolarHBondContact OE1-NE 2.84Å; E412-R488 IonicContact OE1-NH2 3.93Å; E412-R488 PolarHBondContact OE1-NH2 3.18Å; E412-R499 VanDerWaalsContact OE2-CA 3.23Å; E412-R499 WeakPolarHBondContact OE2-CA 3.32Å; E412-R499 WeakPolarHBondContact OE2-CB 3.45Å; E412-K500 PolarHBondContact OE1-N 2.64Å; E412-K500 VanDerWaalsContact OE1-N 3.14Å; E412-K500 PolarHBondContact OE2-N 2.75Å
413	N	97.4	Very high	96.3	Very high	33 Å²	33	36.3 Å²	36.3	18%	0.176	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-89.4	-4.1	-178.1	-75.3	-20.3	0	0	0	114.7	R152 V409 N410 M411	R152-N413 VanDerWaalsContact CA-OD1 3.28Å; R152-N413 WeakPolarHBondContact CA-OD1 3.33Å; R152-N413 PolarHBondContact O-OD1 3.35Å; V409-N413 HydrophobicContact CG1-CB 3.77Å; N410-N413 PolarHBondContact ND2-ND2 2.87Å; N410-N413 VanDerWaalsContact ND2-ND2 3.19Å; N410-N413 PolarHBondContact O-N 2.92Å; N410-N413 VanDerWaalsContact O-N 3.08Å; N410-N413 WeakPolarHBondContact OD1-CB 3.27Å; N410-N413 PolarHBondContact OD1-N 3.24Å; M411-N413 VanDerWaalsContact C-N 3.28Å; M411-N413 PolarHBondContact O-N 2.66Å
414	L	97.4	Very high	96.3	Very high	2 Å²	2	35 Å²	35	1%	0.01	21%	0.21	C	C	.	.	S	Bend	trans	-58.4	144	174.9	-66.9	177	0	0	0	111.2	R152 F403 V409 N410 M411 V416 G421 Q422 T427 I518	R152-L414 PolarHBondContact NH1-O 2.83Å; F403-L414 HydrophobicContact CD1-CD2 4.14Å; V409-L414 HydrophobicContact CB-CD2 4.14Å; V409-L414 HydrophobicContact CG1-CD2 4Å; N410-L414 PolarHBondContact O-N 3.01Å; M411-L414 PolarHBondContact O-N 2.63Å; L414-V416 HydrophobicContact CB-CG1 4.41Å; L414-V416 HydrophobicContact CB-CG2 3.86Å; L414-V416 PolarHBondContact O-N 3.17Å; L414-G421 VanDerWaalsContact O-CA 3.26Å; L414-G421 WeakPolarHBondContact O-CA 3.5Å; L414-Q422 HydrophobicContact CD1-CB 4.25Å; L414-T427 HydrophobicContact CD1-CG2 3.96Å; L414-I518 HydrophobicContact CD1-CG2 4.3Å; L414-I518 HydrophobicContact CD2-CB 4.37Å; L414-I518 HydrophobicContact CD2-CD1 4.24Å; L414-I518 HydrophobicContact CD2-CG2 3.84Å
415	P	95.9	Very high	96.3	Very high	71 Å²	71	27.6 Å²	27.6	46%	0.461	18%	0.178	S	C	.	.	S	Bend	trans	-83.6	45.3	178.4	35.6	-36	0	0	0	112.1	F403	F403-P415 HydrophobicContact CB-CG 4.15Å; F403-P415 HydrophobicContact CD1-CG 4.06Å; F403-P415 HydrophobicContact CD2-CG 3.38Å; F403-P415 HydrophobicContact CE1-CG 4.31Å; F403-P415 HydrophobicContact CE2-CG 3.7Å; F403-P415 HydrophobicContact CG-CG 3.59Å; F403-P415 HydrophobicContact CZ-CG 4.15Å
416	V	93.9	Very high	96.3	Very high	10 Å²	10	27 Å²	27	6%	0.061	17%	0.174	C	C	.	.			trans	-108.7	171.6	179.4	-62.4	0	0	0	0	110.5	E400 L414 S418 G419 N420 G421 Q422	E400-V416 WeakPolarHBondContact OE2-CB 3.15Å; L414-V416 HydrophobicContact CB-CG1 4.41Å; L414-V416 HydrophobicContact CB-CG2 3.86Å; L414-V416 PolarHBondContact O-N 3.17Å; V416-S418 PolarHBondContact O-N 2.8Å; V416-G419 PolarHBondContact O-N 2.85Å; V416-N420 PolarHBondContact O-N 3.49Å; V416-G421 PolarHBondContact O-N 2.82Å; V416-G421 VanDerWaalsContact O-N 3.12Å; V416-Q422 HydrophobicContact CG2-CB 4.08Å
417	N	92.1	Very high	96.3	Very high	12 Å²	12	23 Å²	23	6%	0.064	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	53.3	50.5	177.1	-63.2	-47.2	0	0	0	112.7	G419 N420 G421 D522 K524	N417-G419 PolarHBondContact O-N 2.99Å; N417-N420 HydrophobicContact CB-CB 4.34Å; N417-N420 VanDerWaalsContact O-CB 3.31Å; N417-N420 WeakPolarHBondContact O-CB 3.45Å; N417-N420 PolarHBondContact O-N 3.12Å; N417-N420 PolarHBondContact O-ND2 3.11Å; N417-G421 WeakPolarHBondContact CB-O 3.41Å; N417-G421 PolarHBondContact ND2-O 3.44Å; N417-D522 PolarHBondContact OD1-OD2 3.04Å; N417-K524 PolarHBondContact OD1-NZ 2.83Å
418	S	90.4	Very high	96.3	Very high	119 Å²	119	20.1 Å²	20.1	83%	0.832	13%	0.13	S	C	*	.	G	3₁₀ helix	trans	55.4	33.4	-176.9	-52.1	0	0	0	0	113.9	V416	V416-S418 PolarHBondContact O-N 2.8Å
419	G	91.9	Very high	96.4	Very high	36 Å²	36	19.3 Å²	19.3	37%	0.371	12%	0.124	S	C	.	.	G	3₁₀ helix	trans	83.1	12.9	-179.8	0	0	0	0	0	114.8	R152 V416 N417	R152-G419 PolarHBondContact NE-O 2.83Å; R152-G419 VanDerWaalsContact NE-O 3.15Å; R152-G419 PolarHBondContact NH1-O 2.82Å; R152-G419 PolarHBondContact NH2-O 3.46Å; V416-G419 PolarHBondContact O-N 2.85Å; N417-G419 PolarHBondContact O-N 2.99Å
420	N	94.3	Very high	96.4	Very high	17 Å²	17	19.5 Å²	19.5	9%	0.091	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.3	-8.7	174.1	-68.5	-77.3	0	0	0	113.4	E103 R104 W149 V416 N417	E103-N420 HydrophobicContact CB-CB 4.31Å; E103-N420 HydrophobicContact CG-CB 4.08Å; R104-N420 WeakPolarHBondContact CB-OD1 3.46Å; R104-N420 PolarHBondContact N-OD1 2.88Å; W149-N420 HydrophobicContact CB-CB 4.44Å; V416-N420 PolarHBondContact O-N 3.49Å; N417-N420 HydrophobicContact CB-CB 4.34Å; N417-N420 VanDerWaalsContact O-CB 3.31Å; N417-N420 WeakPolarHBondContact O-CB 3.45Å; N417-N420 PolarHBondContact O-N 3.12Å; N417-N420 PolarHBondContact O-ND2 3.11Å
421	G	96.2	Very high	96.4	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.121	C	C	.	.			trans	74	-174.3	-175.3	0	0	0	0	0	112.9	E412 L414 V416 N417	E412-G421 WeakPolarHBondContact O-CA 3.09Å; L414-G421 VanDerWaalsContact O-CA 3.26Å; L414-G421 WeakPolarHBondContact O-CA 3.5Å; V416-G421 PolarHBondContact O-N 2.82Å; V416-G421 VanDerWaalsContact O-N 3.12Å; N417-G421 WeakPolarHBondContact CB-O 3.41Å; N417-G421 PolarHBondContact ND2-O 3.44Å
422	Q	97.3	Very high	96.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.143	C	C	.	.			trans	-97.8	117.3	-177.8	-173.4	-179.1	-3.2	0	0	110.5	M411 L414 V416 Y424 Y426 T427 S520 L521 D522	M411-Q422 HydrophobicContact CB-CB 4.14Å; M411-Q422 WeakPolarHBondContact CB-O 3.48Å; M411-Q422 HydrophobicContact CE-CB 4.4Å; M411-Q422 HydrophobicContact CE-CG 3.78Å; M411-Q422 PolarHBondContact O-N 2.72Å; L414-Q422 HydrophobicContact CD1-CB 4.25Å; V416-Q422 HydrophobicContact CG2-CB 4.08Å; Q422-Y424 WeakPolarHBondContact CG-O 3.46Å; Q422-Y424 PolarHBondContact NE2-O 3.22Å; Q422-Y426 PolarHBondContact NE2-O 2.67Å; Q422-T427 PolarHBondContact OE1-OG1 2.8Å; Q422-S520 VanDerWaalsContact CD-OG 3.23Å; Q422-S520 PolarHBondContact OE1-OG 3.32Å; Q422-L521 VanDerWaalsContact NE2-C 3.32Å; Q422-L521 PolarHBondContact NE2-O 3.26Å; Q422-D522 HydrophobicContact CG-CB 4.1Å
423	S	96.4	Very high	96.4	Very high	17 Å²	17	23.4 Å²	23.4	12%	0.119	14%	0.144	C	C	.	.			trans	-80.7	-42.8	-179.5	-60.6	0	0	0	0	113.4	S148 N485 R488	S148-S423 VanDerWaalsContact OG-CA 3.32Å; S148-S423 WeakPolarHBondContact OG-CA 3.3Å; S148-S423 VanDerWaalsContact OG-CB 3.32Å; S148-S423 WeakPolarHBondContact OG-CB 3.4Å; S148-S423 PolarHBondContact OG-OG 2.84Å; S423-N485 PolarHBondContact O-ND2 2.8Å; S423-N485 VanDerWaalsContact O-ND2 3.15Å; S423-R488 VanDerWaalsContact O-CZ 3.29Å; S423-R488 PolarHBondContact O-NH1 3.48Å; S423-R488 PolarHBondContact O-NH2 2.93Å
424	Y	97.4	Very high	96.3	Very high	42 Å²	42	26.5 Å²	26.5	17%	0.165	16%	0.164	C	C	.	.	S	Bend	trans	-137.3	178.5	-167.7	-56.2	-62.1	0	0	0	112	D142 F321 Q422 D522	D142-Y424 HydrophobicContact CB-CE1 3.94Å; F321-Y424 HydrophobicContact CB-CD1 3.83Å; F321-Y424 HydrophobicContact CB-CG 3.84Å; Q422-Y424 WeakPolarHBondContact CG-O 3.46Å; Q422-Y424 PolarHBondContact NE2-O 3.22Å; Y424-D522 WeakPolarHBondContact O-CA 3.31Å
425	G	97.3	Very high	96.2	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	81.7	-139.5	173.4	0	0	0	0	0	113.8	N485 L521	G425-N485 PolarHBondContact O-N 3.28Å; G425-N485 VanDerWaalsContact O-N 3.11Å; G425-L521 WeakPolarHBondContact CA-O 3.45Å
426	Y	98.5	Very high	96.1	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.008	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	155	-171.7	-63.3	-102.5	0	0	0	111.4	Q422 L482 V483 E484 L521 M523 V573 F610 E612	Q422-Y426 PolarHBondContact NE2-O 2.67Å; Y426-L482 HydrophobicContact CD1-CD1 4.37Å; Y426-L482 HydrophobicContact CD1-CD2 4.13Å; Y426-L482 HydrophobicContact CD1-CG 4.06Å; Y426-V483 CarbonylContact C-O 3.51Å; Y426-V483 VanDerWaalsContact CA-O 3.26Å; Y426-V483 WeakPolarHBondContact CA-O 3.32Å; Y426-E484 HydrophobicContact CD1-CB 3.71Å; Y426-E484 HydrophobicContact CD1-CG 3.97Å; Y426-E484 HydrophobicContact CE1-CB 3.57Å; Y426-E484 HydrophobicContact CE1-CG 3.53Å; Y426-E484 HydrophobicContact CE2-CG 4.49Å; Y426-L521 PolarHBondContact N-O 2.87Å; Y426-L521 CarbonylContact O-C 3.3Å; Y426-L521 WeakPolarHBondContact O-CA 3.48Å; Y426-L521 VanDerWaalsContact O-CB 3.27Å; Y426-L521 WeakPolarHBondContact O-CB 3.31Å; Y426-L521 PolarHBondContact O-N 2.73Å; Y426-M523 HydrophobicContact CD2-CE 3.65Å; Y426-M523 HydrophobicContact CD2-CG 4.46Å; Y426-M523 HydrophobicContact CE2-CE 4.26Å; Y426-M523 HydrophobicContact CG-CE 4.38Å; Y426-V573 HydrophobicContact CE2-CG2 4.22Å; Y426-F610 HydrophobicContact CD1-CE1 4.32Å; Y426-F610 HydrophobicContact CD2-CE1 4.06Å; Y426-F610 AromaticContact CE1-CE1 3.94Å; Y426-F610 HydrophobicContact CE1-CE1 3.94Å; Y426-F610 AromaticContact CE2-CD1 3.89Å; Y426-F610 HydrophobicContact CE2-CD1 3.89Å; Y426-F610 AromaticContact CE2-CE1 3.68Å; Y426-F610 HydrophobicContact CE2-CE1 3.68Å; Y426-F610 HydrophobicContact CG-CE1 4.38Å; Y426-F610 AromaticContact CZ-CE1 3.61Å; Y426-E612 HydrophobicContact CE1-CG 4.45Å; Y426-E612 WeakPolarHBondContact CE1-OE1 3.39Å; Y426-E612 PolarHBondContact OH-OE1 3Å
427	T	98.6	Very high	96.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	125.4	174.5	-48.6	0	0	0	0	109	M411 L414 Q422 Y429 V483 I518 Y519	M411-T427 WeakPolarHBondContact CG-OG1 3.28Å; L414-T427 HydrophobicContact CD1-CG2 3.96Å; Q422-T427 PolarHBondContact OE1-OG1 2.8Å; T427-Y429 HydrophobicContact CG2-CD2 4.1Å; T427-Y429 HydrophobicContact CG2-CE1 4.39Å; T427-Y429 HydrophobicContact CG2-CE2 3.42Å; T427-Y429 VanDerWaalsContact CG2-CE2 3.42Å; T427-V483 PolarHBondContact N-O 3.37Å; T427-V483 PolarHBondContact O-N 2.88Å; T427-I518 HydrophobicContact CG2-CG2 3.47Å; T427-I518 VanDerWaalsContact CG2-CG2 3.47Å; T427-Y519 WeakPolarHBondContact CA-O 3.16Å; T427-Y519 WeakPolarHBondContact CG2-O 3.46Å
428	L	98.8	Very high	96.5	Very high	0 Å²	0	27 Å²	27	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.6	177.3	-175.2	70.5	0	0	0	109.6	L396 E430 L482 I518 Y519	L396-L428 HydrophobicContact CD1-CD2 3.6Å; L396-L428 HydrophobicContact CD2-CD2 4.17Å; L396-L428 HydrophobicContact CG-CD2 4.48Å; L428-E430 HydrophobicContact CD2-CG 4.05Å; L428-E430 HydrophobicContact CG-CG 3.99Å; L428-L482 HydrophobicContact CB-CD1 4.11Å; L428-L482 HydrophobicContact CD1-CB 3.92Å; L428-L482 HydrophobicContact CD1-CD1 4.17Å; L428-I518 CarbonylContact O-C 3.55Å; L428-I518 VanDerWaalsContact O-CA 3.31Å; L428-I518 WeakPolarHBondContact O-CA 3.37Å; L428-Y519 HydrophobicContact CB-CD2 4.19Å; L428-Y519 HydrophobicContact CD2-CD2 3.97Å; L428-Y519 HydrophobicContact CD2-CE2 4.37Å; L428-Y519 HydrophobicContact CG-CD2 4.3Å; L428-Y519 PolarHBondContact N-O 2.8Å; L428-Y519 PolarHBondContact O-N 2.88Å
429	Y	98.8	Very high	96.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.8	174.8	-61.1	-102.6	0	0	0	109	V409 T427 S480 L481 V483 G501 L502 I518	V409-Y429 VanDerWaalsContact O-CE1 3.29Å; V409-Y429 WeakPolarHBondContact O-CE1 3.19Å; V409-Y429 PolarHBondContact O-OH 2.77Å; T427-Y429 HydrophobicContact CG2-CD2 4.1Å; T427-Y429 HydrophobicContact CG2-CE1 4.39Å; T427-Y429 HydrophobicContact CG2-CE2 3.42Å; T427-Y429 VanDerWaalsContact CG2-CE2 3.42Å; Y429-S480 CarbonylContact O-C 3.44Å; Y429-S480 VanDerWaalsContact O-CA 3.31Å; Y429-S480 WeakPolarHBondContact O-CA 3.41Å; Y429-L481 PolarHBondContact N-O 3.43Å; Y429-L481 PolarHBondContact O-N 2.96Å; Y429-V483 HydrophobicContact CD2-CB 4.49Å; Y429-V483 HydrophobicContact CD2-CG2 3.67Å; Y429-V483 HydrophobicContact CE2-CB 4.11Å; Y429-V483 HydrophobicContact CE2-CG2 3.63Å; Y429-G501 WeakPolarHBondContact OH-CA 3.45Å; Y429-L502 HydrophobicContact CD1-CB 4.36Å; Y429-L502 HydrophobicContact CD1-CD1 3.62Å; Y429-L502 HydrophobicContact CD1-CG 3.98Å; Y429-L502 HydrophobicContact CD2-CD1 3.94Å; Y429-L502 HydrophobicContact CD2-CG 3.84Å; Y429-L502 HydrophobicContact CE1-CB 3.92Å; Y429-L502 HydrophobicContact CE1-CD1 4.05Å; Y429-L502 HydrophobicContact CE1-CG 3.92Å; Y429-L502 HydrophobicContact CE2-CB 4.42Å; Y429-L502 HydrophobicContact CE2-CD1 4.35Å; Y429-L502 HydrophobicContact CE2-CG 3.8Å; Y429-L502 HydrophobicContact CG-CD1 3.56Å; Y429-L502 HydrophobicContact CG-CG 3.95Å; Y429-L502 PolarHBondContact OH-N 3.25Å; Y429-L502 VanDerWaalsContact OH-N 3.14Å; Y429-I518 HydrophobicContact CD1-CB 4.4Å; Y429-I518 HydrophobicContact CD1-CD1 3.89Å; Y429-I518 HydrophobicContact CD1-CG1 3.76Å; Y429-I518 HydrophobicContact CD1-CG2 3.84Å; Y429-I518 HydrophobicContact CE1-CD1 3.87Å; Y429-I518 HydrophobicContact CE1-CG1 4.15Å; Y429-I518 HydrophobicContact CE1-CG2 3.73Å; Y429-I518 HydrophobicContact CG-CG2 4.35Å
430	E	98.7	Very high	97.2	Very high	29 Å²	29	22.6 Å²	22.6	14%	0.136	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	137.1	178.8	-58.1	-160.9	125	0	0	111.5	L428 T478 L479 S480 F516 T517 Y519	L428-E430 HydrophobicContact CD2-CG 4.05Å; L428-E430 HydrophobicContact CG-CG 3.99Å; E430-T478 HydrophobicContact CB-CG2 4.12Å; E430-T478 HydrophobicContact CG-CG2 4.43Å; E430-L479 WeakPolarHBondContact CA-O 3.31Å; E430-S480 PolarHBondContact OE1-OG 3.19Å; E430-F516 CarbonylContact O-C 3.54Å; E430-F516 VanDerWaalsContact O-CA 3.26Å; E430-F516 WeakPolarHBondContact O-CA 3.41Å; E430-T517 PolarHBondContact N-O 2.97Å; E430-T517 PolarHBondContact O-N 2.81Å; E430-Y519 HydrophobicContact CG-CE2 4.17Å; E430-Y519 WeakPolarHBondContact OE2-CE2 3.29Å
431	T	98.6	Very high	97.3	Very high	8 Å²	8	21.8 Å²	21.8	5%	0.049	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	166.7	172.9	-179.3	0	0	0	0	110.1	L479 L513 R514 F516	T431-L479 HydrophobicContact CG2-CB 4.22Å; T431-L479 HydrophobicContact CG2-CD2 4.31Å; T431-L479 PolarHBondContact N-O 3.29Å; T431-L479 PolarHBondContact O-N 3.39Å; T431-L513 HydrophobicContact CG2-CB 4.29Å; T431-L513 HydrophobicContact CG2-CD1 4.09Å; T431-R514 PolarHBondContact OG1-O 2.75Å; T431-F516 HydrophobicContact CG2-CD1 4.35Å; T431-F516 HydrophobicContact CG2-CE1 3.83Å; T431-F516 HydrophobicContact CG2-CZ 4.16Å
432	I	98	Very high	97.1	Very high	90 Å²	90	24.3 Å²	24.3	46%	0.462	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130	179.6	-57.3	-58.8	0	0	0	110.4	K476 R477	I432-K476 HydrophobicContact CG2-CB 3.78Å; I432-K476 HydrophobicContact CG2-CD 4.16Å; I432-K476 HydrophobicContact CG2-CG 3.97Å; I432-R477 WeakPolarHBondContact CA-O 3.38Å
433	I	97.4	Very high	96.8	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	152.3	175	59.4	166.7	0	0	0	110.9	V453 V470 R477 L479 L508 L513	I433-V453 HydrophobicContact CD1-CG2 4.48Å; I433-V470 HydrophobicContact CD1-CG1 3.59Å; I433-R477 HydrophobicContact CG1-CB 4.19Å; I433-R477 PolarHBondContact N-O 3.23Å; I433-R477 PolarHBondContact O-N 3.11Å; I433-L479 HydrophobicContact CD1-CB 4.16Å; I433-L479 HydrophobicContact CG1-CB 4.24Å; I433-L479 HydrophobicContact CG2-CB 4.04Å; I433-L479 HydrophobicContact CG2-CD2 4.18Å; I433-L508 HydrophobicContact CB-CD2 4.07Å; I433-L508 HydrophobicContact CG2-CD2 3.83Å; I433-L513 HydrophobicContact CG2-CD2 3.8Å
434	T	95.2	Very high	96.8	Very high	98 Å²	98	27.6 Å²	27.6	60%	0.601	17%	0.169	S	C	*	.	S	Bend	trans	-121.7	-1.7	-178.6	59.3	0	0	0	0	114	K476	T434-K476 HydrophobicContact CG2-CG 4.05Å
435	S	93.8	Very high	96.8	Very high	47 Å²	47	26 Å²	26	33%	0.329	16%	0.164	S	C	.	.	S	Bend	trans	-141.3	161.3	178.3	64.8	0	0	0	0	110.4	R477	S435-R477 VanDerWaalsContact C-NH2 3.27Å; S435-R477 PolarHBondContact O-NH2 2.72Å; S435-R477 VanDerWaalsContact O-NH2 3.13Å
436	G	95.4	Very high	96.8	Very high	2 Å²	2	29.6 Å²	29.6	2%	0.021	18%	0.178	C	C	.	.			trans	-83.9	-168.6	163.5	0	0	0	0	0	111.8	V470 P471 D472 N509	G436-V470 CarbonylContact C-O 3.5Å; G436-V470 VanDerWaalsContact CA-O 3.25Å; G436-V470 WeakPolarHBondContact CA-O 3.21Å; G436-P471 WeakPolarHBondContact CA-O 3.26Å; G436-D472 WeakPolarHBondContact CA-OD1 3.3Å; G436-D472 PolarHBondContact N-OD1 3.47Å; G436-N509 PolarHBondContact O-ND2 2.67Å
437	G	96.4	Very high	96.6	Very high	29 Å²	29	30.3 Å²	30.3	30%	0.299	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	129.7	-151.7	173.1	0	0	0	0	0	113.9	V470 N509	G437-V470 PolarHBondContact N-O 3.02Å; G437-V470 PolarHBondContact O-N 2.61Å; G437-N509 WeakPolarHBondContact CA-OD1 3.48Å
438	S	97.6	Very high	96.5	Very high	27 Å²	27	31.3 Å²	31.3	19%	0.189	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	117.5	-175.4	165.5	0	0	0	0	110.9	K440 E467 L508 N509	S438-K440 VanDerWaalsContact OG-CE 3.24Å; S438-K440 WeakPolarHBondContact OG-CE 3.43Å; S438-E467 WeakPolarHBondContact CB-OE1 3.22Å; S438-E467 VanDerWaalsContact OG-CD 3.25Å; S438-E467 PolarHBondContact OG-OE1 3.17Å; S438-L508 CarbonylContact O-C 3.47Å; S438-L508 WeakPolarHBondContact O-CA 3.22Å; S438-N509 PolarHBondContact N-OD1 2.65Å; S438-N509 PolarHBondContact O-N 2.79Å
439	L	98.4	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.1	175.3	-174.2	75.7	0	0	0	109.8	V451 F461 E467 L468 V470 L479 I506 L507 L508 L513	L439-V451 HydrophobicContact CD2-CG1 3.85Å; L439-F461 HydrophobicContact CB-CZ 4.38Å; L439-F461 HydrophobicContact CD2-CE2 3.75Å; L439-F461 HydrophobicContact CD2-CZ 3.71Å; L439-F461 HydrophobicContact CG-CE2 4.16Å; L439-F461 HydrophobicContact CG-CZ 3.79Å; L439-E467 CarbonylContact O-C 3.53Å; L439-E467 VanDerWaalsContact O-CA 3.28Å; L439-E467 WeakPolarHBondContact O-CA 3.21Å; L439-L468 PolarHBondContact N-O 3.47Å; L439-L468 PolarHBondContact O-N 2.84Å; L439-V470 HydrophobicContact CB-CG2 3.6Å; L439-V470 HydrophobicContact CD2-CG2 4.07Å; L439-V470 HydrophobicContact CG-CG2 4.3Å; L439-L479 HydrophobicContact CD1-CD2 3.8Å; L439-L479 HydrophobicContact CD2-CD1 4.14Å; L439-L479 HydrophobicContact CD2-CD2 4.15Å; L439-I506 HydrophobicContact CD1-CG2 3.68Å; L439-I506 HydrophobicContact CG-CG2 4.12Å; L439-L507 CarbonylContact C-O 3.57Å; L439-L507 VanDerWaalsContact CA-O 3.31Å; L439-L507 WeakPolarHBondContact CA-O 3.24Å; L439-L508 HydrophobicContact CB-CD1 4.45Å; L439-L508 HydrophobicContact CD1-CB 4.24Å; L439-L508 HydrophobicContact CD1-CD1 4.43Å; L439-L513 HydrophobicContact CD1-CD1 3.79Å
440	K	98.2	Very high	96.5	Very high	62 Å²	62	31.4 Å²	31.4	27%	0.27	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	130.5	-175.6	-62.8	177	-177.5	173.2	0	111.1	S438 L466 E467 L507 N510	S438-K440 VanDerWaalsContact OG-CE 3.24Å; S438-K440 WeakPolarHBondContact OG-CE 3.43Å; K440-L466 CarbonylContact C-O 3.19Å; K440-L466 VanDerWaalsContact CA-O 3.31Å; K440-L466 WeakPolarHBondContact CA-O 3.47Å; K440-E467 WeakPolarHBondContact CE-OE1 3.37Å; K440-E467 WeakPolarHBondContact CE-OE2 3.49Å; K440-E467 HydrophobicContact CG-CB 4.33Å; K440-E467 HydrophobicContact CG-CG 3.94Å; K440-L507 HydrophobicContact CB-CB 4.41Å; K440-L507 PolarHBondContact N-O 3.2Å; K440-L507 PolarHBondContact O-N 2.93Å; K440-N510 PolarHBondContact NZ-OD1 2.67Å; K440-N510 VanDerWaalsContact NZ-OD1 3.14Å
441	S	96.5	Very high	96.5	Very high	1 Å²	1	30 Å²	30	1%	0.007	18%	0.179	C	C	.	.			trans	-89.4	-21.9	176.8	60.8	0	0	0	0	114.1	D443 N444 L466	S441-D443 PolarHBondContact O-N 3.06Å; S441-N444 WeakPolarHBondContact O-CB 3.34Å; S441-N444 PolarHBondContact O-N 3.44Å; S441-N444 PolarHBondContact O-ND2 3.41Å; S441-L466 PolarHBondContact N-O 3.21Å; S441-L466 WeakPolarHBondContact OG-CA 3.47Å; S441-L466 PolarHBondContact OG-O 2.63Å
442	G	92.6	Very high	96.5	Very high	53 Å²	53	29.8 Å²	29.8	55%	0.546	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	31.5	178.3	0	0	0	0	0	114.7	N444	G442-N444 PolarHBondContact O-N 3.49Å
443	D	91	Very high	96.5	Very high	44 Å²	44	26 Å²	26	24%	0.235	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	21.4	-173.4	-161.6	46.1	0	0	0	114.1	S441 V445 R446 H463 L466	S441-D443 PolarHBondContact O-N 3.06Å; D443-V445 VanDerWaalsContact C-N 3.34Å; D443-R446 VanDerWaalsContact CG-NH2 3.29Å; D443-R446 PolarHBondContact O-NE 2.84Å; D443-R446 PolarHBondContact O-NH2 3.14Å; D443-R446 IonicContact OD1-NH2 3.89Å; D443-R446 IonicContact OD2-CZ 3.62Å; D443-R446 IonicContact OD2-NH1 2.65Å; D443-R446 IonicContact OD2-NH2 3.69Å; D443-R446 PolarHBondContact OD2-NH2 2.98Å; D443-H463 IonicContact OD1-CE1 3.52Å; D443-H463 IonicContact OD1-ND1 2.86Å; D443-H463 PolarHBondContact OD1-ND1 2.95Å; D443-L466 HydrophobicContact CB-CD1 4.38Å; D443-L466 HydrophobicContact CB-CD2 4.37Å
444	N	96.4	Very high	96.4	Very high	41 Å²	41	29 Å²	29	22%	0.219	18%	0.175	C	C	.	.			trans	-87.4	1	176.8	-63.6	-39.6	0	0	0	113.8	S441 G442 L502 V503 D505	S441-N444 WeakPolarHBondContact O-CB 3.34Å; S441-N444 PolarHBondContact O-N 3.44Å; S441-N444 PolarHBondContact O-ND2 3.41Å; G442-N444 PolarHBondContact O-N 3.49Å; N444-L502 WeakPolarHBondContact O-CA 3.31Å; N444-V503 HydrophobicContact CB-CG2 4.3Å; N444-V503 WeakPolarHBondContact O-CG2 3.28Å; N444-V503 PolarHBondContact O-N 3.33Å; N444-D505 PolarHBondContact ND2-N 2.82Å; N444-D505 PolarHBondContact ND2-O 2.65Å
445	V	97.4	Very high	96.4	Very high	9 Å²	9	31.5 Å²	31.5	6%	0.055	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	122.5	174.6	170.9	0	0	0	0	109.2	D443 A449 F461 V483 L502 I506	D443-V445 VanDerWaalsContact C-N 3.34Å; V445-A449 HydrophobicContact CG1-CB 3.63Å; V445-A449 HydrophobicContact CG2-CB 4.27Å; V445-F461 HydrophobicContact CB-CB 4.31Å; V445-F461 HydrophobicContact CG1-CB 4.25Å; V445-F461 HydrophobicContact CG2-CB 3.96Å; V445-F461 HydrophobicContact CG2-CD2 4.11Å; V445-F461 HydrophobicContact CG2-CG 4.33Å; V445-V483 HydrophobicContact CG1-CG1 4.17Å; V445-L502 HydrophobicContact CG2-CD2 3.72Å; V445-I506 HydrophobicContact CG2-CD1 4.2Å
446	R	95.8	Very high	96.5	Very high	76 Å²	76	35.9 Å²	35.9	29%	0.287	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	95.9	-179.8	-60.2	-64.3	173	172.9	-8.1	109.9	D443 R499 K500 G501 V503	D443-R446 VanDerWaalsContact CG-NH2 3.29Å; D443-R446 PolarHBondContact O-NE 2.84Å; D443-R446 PolarHBondContact O-NH2 3.14Å; D443-R446 IonicContact OD1-NH2 3.89Å; D443-R446 IonicContact OD2-CZ 3.62Å; D443-R446 IonicContact OD2-NH1 2.65Å; D443-R446 IonicContact OD2-NH2 3.69Å; D443-R446 PolarHBondContact OD2-NH2 2.98Å; R446-R499 WeakPolarHBondContact CB-O 3.4Å; R446-K500 HydrophobicContact CB-CD 4.1Å; R446-G501 PolarHBondContact N-O 2.84Å; R446-G501 PolarHBondContact O-N 3.02Å; R446-V503 HydrophobicContact CB-CG1 4.44Å; R446-V503 HydrophobicContact CG-CG1 3.87Å; R446-V503 HydrophobicContact CG-CG2 3.91Å
447	D	95.3	Very high	96.6	Very high	17 Å²	17	40.6 Å²	40.6	9%	0.091	21%	0.206	C	C	.	.	S	Bend	cis	-117.8	-29.2	14.1	-55.2	-56.2	0	0	0	114.3	Y331 E484 C486 K500	Y331-D447 HydrophobicContact CD1-CB 4.41Å; Y331-D447 HydrophobicContact CE1-CB 3.79Å; Y331-D447 PolarHBondContact OH-OD2 3.22Å; D447-E484 PolarHBondContact N-O 3.19Å; D447-C486 HydrophobicContact CB-CB 4.06Å; D447-C486 PolarHBondContact OD2-N 3.14Å; D447-K500 IonicContact OD1-NZ 3.73Å; D447-K500 PolarHBondContact OD1-NZ 3.08Å; D447-K500 IonicContact OD2-NZ 2.85Å; D447-K500 PolarHBondContact OD2-NZ 3.43Å
448	R	96.7	Very high	96.7	Very high	21 Å²	21	41.2 Å²	41.2	8%	0.079	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	136.9	-175.2	-176	175.4	165	-73	-0.3	109.2	I460 F461 V483 E484 E612	R448-I460 HydrophobicContact CG-CD1 3.63Å; R448-I460 HydrophobicContact CG-CG1 4.09Å; R448-F461 CarbonylContact C-O 3.5Å; R448-F461 WeakPolarHBondContact CA-O 3.27Å; R448-V483 CarbonylContact O-C 3.49Å; R448-V483 WeakPolarHBondContact O-CA 3.16Å; R448-E484 IonicContact NH1-OE2 3.96Å; R448-E484 PolarHBondContact O-N 3.34Å; R448-E612 IonicContact CZ-OE2 3.19Å; R448-E612 VanDerWaalsContact CZ-OE2 3.27Å; R448-E612 IonicContact NH1-OE1 3.13Å; R448-E612 IonicContact NH1-OE2 3.91Å; R448-E612 PolarHBondContact NH1-OE2 3.15Å; R448-E612 IonicContact NH2-OE2 2.63Å; R448-E612 PolarHBondContact NH2-OE2 2.83Å
449	A	98.3	Very high	96.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	125.6	178.6	0	0	0	0	0	112.6	V445 I460 F461 L482 V483	V445-A449 HydrophobicContact CG1-CB 3.63Å; V445-A449 HydrophobicContact CG2-CB 4.27Å; A449-I460 CarbonylContact O-C 3.54Å; A449-I460 VanDerWaalsContact O-CA 3.3Å; A449-I460 WeakPolarHBondContact O-CA 3.18Å; A449-F461 HydrophobicContact CB-CB 4.28Å; A449-F461 PolarHBondContact N-O 3.16Å; A449-F461 PolarHBondContact O-N 3.48Å; A449-L482 CarbonylContact C-O 3.45Å; A449-L482 VanDerWaalsContact CA-O 3.24Å; A449-L482 WeakPolarHBondContact CA-O 3.35Å; A449-V483 HydrophobicContact CB-CB 4.38Å; A449-V483 HydrophobicContact CB-CG2 3.87Å
450	L	98.6	Very high	96.6	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	132.3	166.1	-58.4	173.6	0	0	0	108.4	F452 Y457 I460 L481 L482 P546 E612 Q613	L450-F452 HydrophobicContact CB-CE2 3.44Å; L450-F452 VanDerWaalsContact CB-CE2 3.44Å; L450-F452 HydrophobicContact CB-CZ 3.62Å; L450-F452 HydrophobicContact CD1-CZ 4.27Å; L450-F452 WeakPolarHBondContact O-CE2 3.23Å; L450-Y457 HydrophobicContact CB-CD2 4.49Å; L450-Y457 HydrophobicContact CB-CE2 4.23Å; L450-Y457 HydrophobicContact CD2-CE2 3.76Å; L450-I460 HydrophobicContact CD2-CD1 4.28Å; L450-L481 WeakPolarHBondContact O-CA 2.93Å; L450-L482 HydrophobicContact CB-CB 4.47Å; L450-L482 HydrophobicContact CD1-CD2 4.5Å; L450-L482 PolarHBondContact N-O 3Å; L450-L482 PolarHBondContact O-N 2.69Å; L450-P546 HydrophobicContact CD1-CG 3.92Å; L450-E612 HydrophobicContact CD1-CB 3.86Å; L450-E612 HydrophobicContact CD1-CG 4.11Å; L450-Q613 HydrophobicContact CD2-CG 4.39Å
451	V	98.6	Very high	96.5	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	132.2	-173.2	-171.4	0	0	0	0	110.2	L439 I458 G459 F461 L468 L479 S480 L481	L439-V451 HydrophobicContact CD2-CG1 3.85Å; V451-I458 HydrophobicContact CB-CG1 4.05Å; V451-I458 HydrophobicContact CG1-CD1 3.83Å; V451-I458 HydrophobicContact CG1-CG1 3.83Å; V451-I458 WeakPolarHBondContact O-CG1 3.46Å; V451-I458 PolarHBondContact O-N 3.15Å; V451-G459 PolarHBondContact N-O 3.18Å; V451-F461 HydrophobicContact CG2-CD2 3.6Å; V451-F461 HydrophobicContact CG2-CE2 3.82Å; V451-F461 HydrophobicContact CG2-CG 4.32Å; V451-L468 HydrophobicContact CB-CD1 3.9Å; V451-L468 HydrophobicContact CG1-CD1 4.41Å; V451-L468 HydrophobicContact CG2-CD1 3.64Å; V451-L479 HydrophobicContact CG1-CD1 3.77Å; V451-S480 WeakPolarHBondContact CA-O 3.23Å; V451-L481 HydrophobicContact CG1-CG 4.48Å; V451-L481 HydrophobicContact CG2-CG 4.37Å
452	F	98.5	Very high	96.2	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	145	-174.9	-52.2	-98	0	0	0	111.5	W393 L450 H456 Y457 L479 S480 L482 P546	W393-F452 HydrophobicContact CH2-CD1 4.22Å; W393-F452 HydrophobicContact CH2-CE1 4.17Å; W393-F452 HydrophobicContact CZ2-CD1 4.16Å; W393-F452 HydrophobicContact CZ2-CE1 4.45Å; W393-F452 HydrophobicContact CZ2-CG 4.31Å; L450-F452 HydrophobicContact CB-CE2 3.44Å; L450-F452 VanDerWaalsContact CB-CE2 3.44Å; L450-F452 HydrophobicContact CB-CZ 3.62Å; L450-F452 HydrophobicContact CD1-CZ 4.27Å; L450-F452 WeakPolarHBondContact O-CE2 3.23Å; F452-H456 CarbonylContact C-O 3.6Å; F452-H456 WeakPolarHBondContact CA-O 3.44Å; F452-Y457 HydrophobicContact CD1-CD2 4.44Å; F452-Y457 AromaticContact CE1-CD2 3.94Å; F452-Y457 HydrophobicContact CE1-CD2 3.94Å; F452-Y457 HydrophobicContact CE1-CG 4.35Å; F452-Y457 HydrophobicContact CZ-CD2 4.09Å; F452-L479 WeakPolarHBondContact O-CA 3.33Å; F452-S480 PolarHBondContact N-O 2.95Å; F452-S480 PolarHBondContact O-N 3.25Å; F452-L482 HydrophobicContact CE2-CB 4.24Å; F452-P546 VanDerWaalsContact CZ-CD 3.46Å; F452-P546 HydrophobicContact CZ-CG 3.87Å
453	V	97.9	Very high	95.6	Very high	10 Å²	10	45.3 Å²	45.3	6%	0.061	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	120.8	167.2	177.7	0	0	0	0	108	I433 R455 H456 I458 V470 R477 T478 L479	I433-V453 HydrophobicContact CD1-CG2 4.48Å; V453-R455 PolarHBondContact O-N 2.89Å; V453-H456 PolarHBondContact N-O 3.16Å; V453-H456 WeakPolarHBondContact O-CB 3.41Å; V453-H456 PolarHBondContact O-N 3.28Å; V453-I458 HydrophobicContact CB-CG2 4.28Å; V453-I458 HydrophobicContact CG2-CD1 3.84Å; V453-I458 HydrophobicContact CG2-CG1 4.41Å; V453-I458 HydrophobicContact CG2-CG2 4.07Å; V453-V470 HydrophobicContact CG2-CG1 4.08Å; V453-R477 HydrophobicContact CG1-CB 4.11Å; V453-T478 CarbonylContact C-O 3.57Å; V453-T478 WeakPolarHBondContact CA-O 3.46Å; V453-L479 HydrophobicContact CG2-CD1 3.93Å
454	D	95.9	Very high	95.1	Very high	67 Å²	67	49.9 Å²	49.9	36%	0.358	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.5	47.8	-172.5	-60.6	-36.5	0	0	0	111.6	H456 R477 T478	D454-H456 PolarHBondContact O-N 3.34Å; D454-H456 VanDerWaalsContact O-N 3.15Å; D454-H456 PolarHBondContact O-ND1 3.11Å; D454-R477 WeakPolarHBondContact OD1-CA 3.37Å; D454-R477 WeakPolarHBondContact OD2-CB 3.32Å; D454-R477 WeakPolarHBondContact OD2-CG 3.5Å; D454-T478 PolarHBondContact N-O 2.94Å; D454-T478 PolarHBondContact OD1-N 3.46Å
455	R	95.6	Very high	94.7	Very high	150 Å²	150	50.4 Å²	50.4	57%	0.566	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.2	4.3	-178.3	-43.9	-177.1	-178.1	-177.5	-3.2	115.6	W393 V453	W393-R455 HydrophobicContact CD2-CB 4.43Å; W393-R455 HydrophobicContact CD2-CG 4.19Å; W393-R455 HydrophobicContact CG-CG 4.31Å; W393-R455 HydrophobicContact CH2-CB 4.34Å; W393-R455 HydrophobicContact CZ2-CB 3.86Å; W393-R455 HydrophobicContact CZ2-CG 4.22Å; V453-R455 PolarHBondContact O-N 2.89Å
456	H	95.6	Very high	94.5	Very high	139 Å²	139	53 Å²	53	64%	0.644	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91	125.1	173.3	-62.2	79.2	0	0	0	110.3	F452 V453 D454 I458	F452-H456 CarbonylContact C-O 3.6Å; F452-H456 WeakPolarHBondContact CA-O 3.44Å; V453-H456 PolarHBondContact N-O 3.16Å; V453-H456 WeakPolarHBondContact O-CB 3.41Å; V453-H456 PolarHBondContact O-N 3.28Å; D454-H456 PolarHBondContact O-N 3.34Å; D454-H456 VanDerWaalsContact O-N 3.15Å; D454-H456 PolarHBondContact O-ND1 3.11Å; H456-I458 PolarHBondContact O-N 3.23Å
457	Y	97.5	Very high	94.6	Very high	101 Å²	101	54.3 Å²	54.3	40%	0.396	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	127.5	178.8	177	-106	0	0	0	111.3	L450 F452 G459	L450-Y457 HydrophobicContact CB-CD2 4.49Å; L450-Y457 HydrophobicContact CB-CE2 4.23Å; L450-Y457 HydrophobicContact CD2-CE2 3.76Å; F452-Y457 HydrophobicContact CD1-CD2 4.44Å; F452-Y457 AromaticContact CE1-CD2 3.94Å; F452-Y457 HydrophobicContact CE1-CD2 3.94Å; F452-Y457 HydrophobicContact CE1-CG 4.35Å; F452-Y457 HydrophobicContact CZ-CD2 4.09Å; Y457-G459 VanDerWaalsContact CE2-C 3.49Å; Y457-G459 WeakPolarHBondContact CE2-O 3.34Å
458	I	97.3	Very high	94.7	Very high	43 Å²	43	54.5 Å²	54.5	22%	0.221	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	-13.3	178.9	63.4	158.5	0	0	0	113.4	V451 V453 H456 V470 P471	V451-I458 HydrophobicContact CB-CG1 4.05Å; V451-I458 HydrophobicContact CG1-CD1 3.83Å; V451-I458 HydrophobicContact CG1-CG1 3.83Å; V451-I458 WeakPolarHBondContact O-CG1 3.46Å; V451-I458 PolarHBondContact O-N 3.15Å; V453-I458 HydrophobicContact CB-CG2 4.28Å; V453-I458 HydrophobicContact CG2-CD1 3.84Å; V453-I458 HydrophobicContact CG2-CG1 4.41Å; V453-I458 HydrophobicContact CG2-CG2 4.07Å; H456-I458 PolarHBondContact O-N 3.23Å; I458-V470 HydrophobicContact CD1-CG2 3.93Å; I458-P471 HydrophobicContact CG2-CG 4.43Å
459	G	97.3	Very high	94.7	Very high	9 Å²	9	57.3 Å²	57.3	9%	0.093	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153.5	-170.8	179.5	0	0	0	0	0	113.7	V451 Y457	V451-G459 PolarHBondContact N-O 3.18Å; Y457-G459 VanDerWaalsContact CE2-C 3.49Å; Y457-G459 WeakPolarHBondContact CE2-O 3.34Å
460	I	97.3	Very high	94.7	Very high	32 Å²	32	57.6 Å²	57.6	16%	0.164	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	129.7	-170.5	176.7	167.8	0	0	0	111.1	R448 A449 L450 N465	R448-I460 HydrophobicContact CG-CD1 3.63Å; R448-I460 HydrophobicContact CG-CG1 4.09Å; A449-I460 CarbonylContact O-C 3.54Å; A449-I460 VanDerWaalsContact O-CA 3.3Å; A449-I460 WeakPolarHBondContact O-CA 3.18Å; L450-I460 HydrophobicContact CD2-CD1 4.28Å; I460-N465 PolarHBondContact O-ND2 2.73Å
461	F	97.3	Very high	94.5	Very high	0 Å²	0	61 Å²	61	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.4	162.6	-68.3	-49.2	0	0	0	110.9	L439 V445 R448 A449 V451 N465 L466 L468 L481	L439-F461 HydrophobicContact CB-CZ 4.38Å; L439-F461 HydrophobicContact CD2-CE2 3.75Å; L439-F461 HydrophobicContact CD2-CZ 3.71Å; L439-F461 HydrophobicContact CG-CE2 4.16Å; L439-F461 HydrophobicContact CG-CZ 3.79Å; V445-F461 HydrophobicContact CB-CB 4.31Å; V445-F461 HydrophobicContact CG1-CB 4.25Å; V445-F461 HydrophobicContact CG2-CB 3.96Å; V445-F461 HydrophobicContact CG2-CD2 4.11Å; V445-F461 HydrophobicContact CG2-CG 4.33Å; R448-F461 CarbonylContact C-O 3.5Å; R448-F461 WeakPolarHBondContact CA-O 3.27Å; A449-F461 HydrophobicContact CB-CB 4.28Å; A449-F461 PolarHBondContact N-O 3.16Å; A449-F461 PolarHBondContact O-N 3.48Å; V451-F461 HydrophobicContact CG2-CD2 3.6Å; V451-F461 HydrophobicContact CG2-CE2 3.82Å; V451-F461 HydrophobicContact CG2-CG 4.32Å; F461-N465 WeakPolarHBondContact CA-O 3.28Å; F461-N465 WeakPolarHBondContact CD1-O 3.48Å; F461-L466 WeakPolarHBondContact CE1-O 3.4Å; F461-L468 HydrophobicContact CD1-CD1 4Å; F461-L468 HydrophobicContact CD1-CG 4.07Å; F461-L468 HydrophobicContact CD2-CD1 4.42Å; F461-L468 HydrophobicContact CE1-CB 4.18Å; F461-L468 HydrophobicContact CE1-CD1 3.76Å; F461-L468 HydrophobicContact CE1-CG 3.61Å; F461-L468 HydrophobicContact CE2-CD1 4.2Å; F461-L468 HydrophobicContact CG-CD1 4.32Å; F461-L468 HydrophobicContact CZ-CB 4.3Å; F461-L468 HydrophobicContact CZ-CD1 3.87Å; F461-L468 HydrophobicContact CZ-CG 4.05Å; F461-L481 HydrophobicContact CD2-CD2 4.13Å; F461-L481 HydrophobicContact CE2-CD2 4.11Å
462	K	90.1	Very high	94.1	Very high	93 Å²	93	67.5 Å²	67.5	40%	0.404	34%	0.339	S	S	.	.	B	Isolated β-bridge	trans	-151.9	169.7	171.9	59.5	178	-179.2	174.4	0	108	Q464 N465	K462-Q464 PolarHBondContact O-N 3.01Å; K462-N465 HydrophobicContact CG-CB 3.92Å; K462-N465 PolarHBondContact N-O 2.9Å; K462-N465 VanDerWaalsContact N-O 3.15Å; K462-N465 CarbonylContact O-C 3.53Å; K462-N465 VanDerWaalsContact O-C 3.3Å; K462-N465 PolarHBondContact O-N 2.8Å
463	H	80.1	Confident	93.5	Very high	95 Å²	95	68.7 Å²	68.7	44%	0.44	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-31	-177	-168.1	62.3	0	0	0	114.8	D443	D443-H463 IonicContact OD1-CE1 3.52Å; D443-H463 IonicContact OD1-ND1 2.86Å; D443-H463 PolarHBondContact OD1-ND1 2.95Å
464	Q	80.1	Confident	92.2	Very high	140 Å²	140	78.5 Å²	78.5	65%	0.654	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-12.3	178.2	-64.4	165.1	-5.1	0	0	114.5	K462	K462-Q464 PolarHBondContact O-N 3.01Å
465	N	87.3	Confident	91.8	Very high	51 Å²	51	82.7 Å²	82.7	27%	0.273	41%	0.411	S	S	.	.	B	Isolated β-bridge	trans	-128.9	101.5	-178.8	-169.9	25.6	0	0	0	109.9	I460 F461 K462 E467	I460-N465 PolarHBondContact O-ND2 2.73Å; F461-N465 WeakPolarHBondContact CA-O 3.28Å; F461-N465 WeakPolarHBondContact CD1-O 3.48Å; K462-N465 HydrophobicContact CG-CB 3.92Å; K462-N465 PolarHBondContact N-O 2.9Å; K462-N465 VanDerWaalsContact N-O 3.15Å; K462-N465 CarbonylContact O-C 3.53Å; K462-N465 VanDerWaalsContact O-C 3.3Å; K462-N465 PolarHBondContact O-N 2.8Å; N465-E467 PolarHBondContact OD1-O 3.12Å
466	L	93.6	Very high	91.8	Very high	65 Å²	65	83.5 Å²	83.5	34%	0.34	42%	0.419	S	S	.	.			trans	-109.1	-3.4	-172.5	-57.1	-177.7	0	0	0	113.5	K440 S441 D443 F461	K440-L466 CarbonylContact C-O 3.19Å; K440-L466 VanDerWaalsContact CA-O 3.31Å; K440-L466 WeakPolarHBondContact CA-O 3.47Å; S441-L466 PolarHBondContact N-O 3.21Å; S441-L466 WeakPolarHBondContact OG-CA 3.47Å; S441-L466 PolarHBondContact OG-O 2.63Å; D443-L466 HydrophobicContact CB-CD1 4.38Å; D443-L466 HydrophobicContact CB-CD2 4.37Å; F461-L466 WeakPolarHBondContact CE1-O 3.4Å
467	E	96.8	Very high	91.9	Very high	102 Å²	102	77.9 Å²	77.9	48%	0.477	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137.1	-176.3	-172.9	165.7	173.1	0	0	111	S438 L439 K440 N465	S438-E467 WeakPolarHBondContact CB-OE1 3.22Å; S438-E467 VanDerWaalsContact OG-CD 3.25Å; S438-E467 PolarHBondContact OG-OE1 3.17Å; L439-E467 CarbonylContact O-C 3.53Å; L439-E467 VanDerWaalsContact O-CA 3.28Å; L439-E467 WeakPolarHBondContact O-CA 3.21Å; K440-E467 WeakPolarHBondContact CE-OE1 3.37Å; K440-E467 WeakPolarHBondContact CE-OE2 3.49Å; K440-E467 HydrophobicContact CG-CB 4.33Å; K440-E467 HydrophobicContact CG-CG 3.94Å; N465-E467 PolarHBondContact OD1-O 3.12Å
468	L	97.4	Very high	91.9	Very high	21 Å²	21	75.1 Å²	75.1	11%	0.11	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	150.1	177.4	-66.7	174.5	0	0	0	110	L439 V451 F461	L439-L468 PolarHBondContact N-O 3.47Å; L439-L468 PolarHBondContact O-N 2.84Å; V451-L468 HydrophobicContact CB-CD1 3.9Å; V451-L468 HydrophobicContact CG1-CD1 4.41Å; V451-L468 HydrophobicContact CG2-CD1 3.64Å; F461-L468 HydrophobicContact CD1-CD1 4Å; F461-L468 HydrophobicContact CD1-CG 4.07Å; F461-L468 HydrophobicContact CD2-CD1 4.42Å; F461-L468 HydrophobicContact CE1-CB 4.18Å; F461-L468 HydrophobicContact CE1-CD1 3.76Å; F461-L468 HydrophobicContact CE1-CG 3.61Å; F461-L468 HydrophobicContact CE2-CD1 4.2Å; F461-L468 HydrophobicContact CG-CD1 4.32Å; F461-L468 HydrophobicContact CZ-CB 4.3Å; F461-L468 HydrophobicContact CZ-CD1 3.87Å; F461-L468 HydrophobicContact CZ-CG 4.05Å
469	A	97.4	Very high	91.9	Very high	80 Å²	80	73 Å²	73	66%	0.661	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	126.5	170.8	0	0	0	0	0	109.9
470	V	97.4	Very high	92	Very high	6 Å²	6	72.7 Å²	72.7	4%	0.036	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122	171.7	176.9	0	0	0	0	107.8	I433 G436 G437 L439 V453 I458 L508	I433-V470 HydrophobicContact CD1-CG1 3.59Å; G436-V470 CarbonylContact C-O 3.5Å; G436-V470 VanDerWaalsContact CA-O 3.25Å; G436-V470 WeakPolarHBondContact CA-O 3.21Å; G437-V470 PolarHBondContact N-O 3.02Å; G437-V470 PolarHBondContact O-N 2.61Å; L439-V470 HydrophobicContact CB-CG2 3.6Å; L439-V470 HydrophobicContact CD2-CG2 4.07Å; L439-V470 HydrophobicContact CG-CG2 4.3Å; V453-V470 HydrophobicContact CG2-CG1 4.08Å; I458-V470 HydrophobicContact CD1-CG2 3.93Å; V470-L508 HydrophobicContact CB-CD1 4.3Å; V470-L508 HydrophobicContact CG2-CD1 4.17Å
471	P	94.4	Very high	92.1	Very high	72 Å²	72	71.1 Å²	71.1	47%	0.468	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-57	148.3	177.5	-24.7	33.8	0	0	0	112	G436 I458 R477	G436-P471 WeakPolarHBondContact CA-O 3.26Å; I458-P471 HydrophobicContact CG2-CG 4.43Å; P471-R477 VanDerWaalsContact O-CZ 3.24Å; P471-R477 PolarHBondContact O-NH1 3.26Å; P471-R477 PolarHBondContact O-NH2 2.85Å
472	D	90.8	Very high	92.1	Very high	137 Å²	137	71.2 Å²	71.2	73%	0.733	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-69.6	152.5	170.8	-81.4	-41.2	0	0	0	111.9	G436 R477	G436-D472 WeakPolarHBondContact CA-OD1 3.3Å; G436-D472 PolarHBondContact N-OD1 3.47Å; D472-R477 PolarHBondContact O-NH1 3.35Å
473	G	85.8	Confident	92.6	Very high	29 Å²	29	66.8 Å²	66.8	30%	0.299	35%	0.345	S	S	.	.			trans	-159.9	149.9	179.3	0	0	0	0	0	110.8
474	K	72.1	Confident	93.4	Very high	216 Å²	216	62.4 Å²	62.4	94%	0.939	32%	0.324	S	S	*	.	S	Bend	trans	-87.7	-11	-172.5	-65.6	-174.9	178.9	179.9	0	114.1
475	E	87.6	Confident	94.3	Very high	155 Å²	155	55.7 Å²	55.7	72%	0.724	29%	0.293	S	S	*	.	S	Bend	trans	-123.6	172.4	-172.9	-63.3	-174.4	177.9	0	0	111.7	R477	E475-R477 PolarHBondContact O-N 3.12Å
476	K	94.9	Very high	94.7	Very high	168 Å²	168	53.6 Å²	53.6	73%	0.73	28%	0.282	S	S	*	.			trans	-65.5	127.4	169.4	-75.1	-178.7	176.8	-174.2	0	108.9	I432 T434	I432-K476 HydrophobicContact CG2-CB 3.78Å; I432-K476 HydrophobicContact CG2-CD 4.16Å; I432-K476 HydrophobicContact CG2-CG 3.97Å; T434-K476 HydrophobicContact CG2-CG 4.05Å
477	R	96.5	Very high	94.9	Very high	20 Å²	20	50.5 Å²	50.5	8%	0.075	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	149.7	-177.7	-61.4	175.7	-67.8	164.3	5.3	110.3	I432 I433 S435 V453 D454 P471 D472 E475	I432-R477 WeakPolarHBondContact CA-O 3.38Å; I433-R477 HydrophobicContact CG1-CB 4.19Å; I433-R477 PolarHBondContact N-O 3.23Å; I433-R477 PolarHBondContact O-N 3.11Å; S435-R477 VanDerWaalsContact C-NH2 3.27Å; S435-R477 PolarHBondContact O-NH2 2.72Å; S435-R477 VanDerWaalsContact O-NH2 3.13Å; V453-R477 HydrophobicContact CG1-CB 4.11Å; D454-R477 WeakPolarHBondContact OD1-CA 3.37Å; D454-R477 WeakPolarHBondContact OD2-CB 3.32Å; D454-R477 WeakPolarHBondContact OD2-CG 3.5Å; P471-R477 VanDerWaalsContact O-CZ 3.24Å; P471-R477 PolarHBondContact O-NH1 3.26Å; P471-R477 PolarHBondContact O-NH2 2.85Å; D472-R477 PolarHBondContact O-NH1 3.35Å; E475-R477 PolarHBondContact O-N 3.12Å
478	T	97.8	Very high	95	Very high	43 Å²	43	45.7 Å²	45.7	26%	0.264	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	120.1	177	-52.4	0	0	0	0	109.1	E430 V453 D454	E430-T478 HydrophobicContact CB-CG2 4.12Å; E430-T478 HydrophobicContact CG-CG2 4.43Å; V453-T478 CarbonylContact C-O 3.57Å; V453-T478 WeakPolarHBondContact CA-O 3.46Å; D454-T478 PolarHBondContact N-O 2.94Å; D454-T478 PolarHBondContact OD1-N 3.46Å
479	L	98.6	Very high	95	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	121.8	166.8	178.7	72.5	0	0	0	108.1	E430 T431 I433 L439 V451 F452 V453 L481 L513	E430-L479 WeakPolarHBondContact CA-O 3.31Å; T431-L479 HydrophobicContact CG2-CB 4.22Å; T431-L479 HydrophobicContact CG2-CD2 4.31Å; T431-L479 PolarHBondContact N-O 3.29Å; T431-L479 PolarHBondContact O-N 3.39Å; I433-L479 HydrophobicContact CD1-CB 4.16Å; I433-L479 HydrophobicContact CG1-CB 4.24Å; I433-L479 HydrophobicContact CG2-CB 4.04Å; I433-L479 HydrophobicContact CG2-CD2 4.18Å; L439-L479 HydrophobicContact CD1-CD2 3.8Å; L439-L479 HydrophobicContact CD2-CD1 4.14Å; L439-L479 HydrophobicContact CD2-CD2 4.15Å; V451-L479 HydrophobicContact CG1-CD1 3.77Å; F452-L479 WeakPolarHBondContact O-CA 3.33Å; V453-L479 HydrophobicContact CG2-CD1 3.93Å; L479-L481 HydrophobicContact CD2-CD1 4.15Å; L479-L481 HydrophobicContact CG-CD1 4.03Å; L479-L513 HydrophobicContact CD2-CD1 3.45Å; L479-L513 VanDerWaalsContact CD2-CD1 3.45Å
480	S	98.7	Very high	94.9	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	133.8	179.7	-41.7	0	0	0	0	110.4	Y429 E430 V451 F452	Y429-S480 CarbonylContact O-C 3.44Å; Y429-S480 VanDerWaalsContact O-CA 3.31Å; Y429-S480 WeakPolarHBondContact O-CA 3.41Å; E430-S480 PolarHBondContact OE1-OG 3.19Å; V451-S480 WeakPolarHBondContact CA-O 3.23Å; F452-S480 PolarHBondContact N-O 2.95Å; F452-S480 PolarHBondContact O-N 3.25Å
481	L	98.8	Very high	94.7	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	107.4	173.2	-64.9	84.1	0	0	0	108.1	Y429 L450 V451 F461 L479 V483 L502 I506	Y429-L481 PolarHBondContact N-O 3.43Å; Y429-L481 PolarHBondContact O-N 2.96Å; L450-L481 WeakPolarHBondContact O-CA 2.93Å; V451-L481 HydrophobicContact CG1-CG 4.48Å; V451-L481 HydrophobicContact CG2-CG 4.37Å; F461-L481 HydrophobicContact CD2-CD2 4.13Å; F461-L481 HydrophobicContact CE2-CD2 4.11Å; L479-L481 HydrophobicContact CD2-CD1 4.15Å; L479-L481 HydrophobicContact CG-CD1 4.03Å; L481-V483 HydrophobicContact CB-CG2 4.42Å; L481-V483 PolarHBondContact O-N 3.35Å; L481-L502 HydrophobicContact CD2-CD2 4.45Å; L481-I506 HydrophobicContact CD2-CD1 4.39Å; L481-I506 HydrophobicContact CD2-CG1 4.14Å; L481-I506 HydrophobicContact CD2-CG2 4.46Å
482	L	98.8	Very high	94.6	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	101.4	171.1	-178.2	68.9	0	0	0	108.6	L392 Y426 L428 A449 L450 F452 L521 P546 F610	L392-L482 HydrophobicContact CD2-CD1 3.98Å; L392-L482 HydrophobicContact CD2-CD2 3.78Å; L392-L482 HydrophobicContact CD2-CG 4.39Å; Y426-L482 HydrophobicContact CD1-CD1 4.37Å; Y426-L482 HydrophobicContact CD1-CD2 4.13Å; Y426-L482 HydrophobicContact CD1-CG 4.06Å; L428-L482 HydrophobicContact CB-CD1 4.11Å; L428-L482 HydrophobicContact CD1-CB 3.92Å; L428-L482 HydrophobicContact CD1-CD1 4.17Å; A449-L482 CarbonylContact C-O 3.45Å; A449-L482 VanDerWaalsContact CA-O 3.24Å; A449-L482 WeakPolarHBondContact CA-O 3.35Å; L450-L482 HydrophobicContact CB-CB 4.47Å; L450-L482 HydrophobicContact CD1-CD2 4.5Å; L450-L482 PolarHBondContact N-O 3Å; L450-L482 PolarHBondContact O-N 2.69Å; F452-L482 HydrophobicContact CE2-CB 4.24Å; L482-L521 HydrophobicContact CD1-CD1 4.09Å; L482-P546 HydrophobicContact CD2-CB 4.11Å; L482-P546 HydrophobicContact CD2-CG 3.64Å; L482-F610 HydrophobicContact CD2-CZ 4.2Å
483	V	98.7	Very high	94.6	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	129.6	-178.4	-168.4	0	0	0	0	109.9	Y426 T427 Y429 V445 R448 A449 L481 L502	Y426-V483 CarbonylContact C-O 3.51Å; Y426-V483 VanDerWaalsContact CA-O 3.26Å; Y426-V483 WeakPolarHBondContact CA-O 3.32Å; T427-V483 PolarHBondContact N-O 3.37Å; T427-V483 PolarHBondContact O-N 2.88Å; Y429-V483 HydrophobicContact CD2-CB 4.49Å; Y429-V483 HydrophobicContact CD2-CG2 3.67Å; Y429-V483 HydrophobicContact CE2-CB 4.11Å; Y429-V483 HydrophobicContact CE2-CG2 3.63Å; V445-V483 HydrophobicContact CG1-CG1 4.17Å; R448-V483 CarbonylContact O-C 3.49Å; R448-V483 WeakPolarHBondContact O-CA 3.16Å; A449-V483 HydrophobicContact CB-CB 4.38Å; A449-V483 HydrophobicContact CB-CG2 3.87Å; L481-V483 HydrophobicContact CB-CG2 4.42Å; L481-V483 PolarHBondContact O-N 3.35Å; V483-L502 HydrophobicContact CG2-CD2 3.79Å; V483-L502 HydrophobicContact CG2-CG 4.11Å
484	E	98.4	Very high	94.9	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.009	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.4	172.6	-174.3	-172.1	-177.2	0	0	110.5	Y426 D447 R448 C486 K571 R583	Y426-E484 HydrophobicContact CD1-CB 3.71Å; Y426-E484 HydrophobicContact CD1-CG 3.97Å; Y426-E484 HydrophobicContact CE1-CB 3.57Å; Y426-E484 HydrophobicContact CE1-CG 3.53Å; Y426-E484 HydrophobicContact CE2-CG 4.49Å; D447-E484 PolarHBondContact N-O 3.19Å; R448-E484 IonicContact NH1-OE2 3.96Å; R448-E484 PolarHBondContact O-N 3.34Å; E484-C486 PolarHBondContact O-N 2.69Å; E484-C486 PolarHBondContact OE2-SG 2.7Å; E484-K571 IonicContact OE1-NZ 2.71Å; E484-K571 PolarHBondContact OE1-NZ 2.91Å; E484-K571 VanDerWaalsContact OE2-CE 3.22Å; E484-K571 WeakPolarHBondContact OE2-CE 3.43Å; E484-K571 IonicContact OE2-NZ 2.77Å; E484-K571 PolarHBondContact OE2-NZ 3.31Å; E484-R583 IonicContact OE1-CZ 3.16Å; E484-R583 IonicContact OE1-NH1 2.73Å; E484-R583 PolarHBondContact OE1-NH1 3.45Å
485	N	97.9	Very high	96	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.145	C	C	.	.			trans	-78.9	107.4	157.6	172.7	12.3	0	0	0	108	M411 S423 G425 G487 R488 K500 R583	M411-N485 HydrophobicContact CE-CB 3.76Å; M411-N485 HydrophobicContact SD-CB 3.76Å; S423-N485 PolarHBondContact O-ND2 2.8Å; S423-N485 VanDerWaalsContact O-ND2 3.15Å; G425-N485 PolarHBondContact O-N 3.28Å; G425-N485 VanDerWaalsContact O-N 3.11Å; N485-G487 VanDerWaalsContact C-N 3.28Å; N485-G487 PolarHBondContact O-N 3.04Å; N485-G487 WeakPolarHBondContact OD1-CA 3.28Å; N485-G487 PolarHBondContact OD1-N 2.97Å; N485-R488 PolarHBondContact ND2-NH1 2.86Å; N485-K500 HydrophobicContact CB-CB 4.04Å; N485-K500 HydrophobicContact CB-CD 4.49Å; N485-K500 HydrophobicContact CB-CG 4.14Å; N485-K500 WeakPolarHBondContact OD1-CD 3.4Å; N485-K500 WeakPolarHBondContact OD1-CE 3.4Å; N485-R583 PolarHBondContact O-NH1 2.85Å; N485-R583 PolarHBondContact O-NH2 2.88Å
486	C	97	Very high	96.3	Very high	7 Å²	7	24.9 Å²	24.9	5%	0.047	12%	0.121	C	C	.	.			trans	-84	-3.7	-179.2	-64.6	0	0	0	0	113.2	Y331 A333 D447 E484	Y331-C486 HydrophobicContact CE1-CB 4.14Å; Y331-C486 VanDerWaalsContact OH-C 3.32Å; Y331-C486 VanDerWaalsContact OH-CB 3.23Å; Y331-C486 WeakPolarHBondContact OH-CB 3.3Å; A333-C486 HydrophobicContact CB-CB 3.82Å; A333-C486 WeakPolarHBondContact CB-O 3.48Å; D447-C486 HydrophobicContact CB-CB 4.06Å; D447-C486 PolarHBondContact OD2-N 3.14Å; E484-C486 PolarHBondContact O-N 2.69Å; E484-C486 PolarHBondContact OE2-SG 2.7Å
487	G	97.2	Very high	96.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.12	C	C	.	.			trans	127.1	130	-174.9	0	0	0	0	0	110.5	A325 Y331 N485 K500	A325-G487 VanDerWaalsContact CB-O 3.22Å; A325-G487 WeakPolarHBondContact CB-O 3.36Å; Y331-G487 WeakPolarHBondContact CE2-O 3.41Å; Y331-G487 PolarHBondContact OH-N 2.89Å; Y331-G487 PolarHBondContact OH-O 2.84Å; N485-G487 VanDerWaalsContact C-N 3.28Å; N485-G487 PolarHBondContact O-N 3.04Å; N485-G487 WeakPolarHBondContact OD1-CA 3.28Å; N485-G487 PolarHBondContact OD1-N 2.97Å; G487-K500 PolarHBondContact O-NZ 2.77Å
488	R	98.2	Very high	96.2	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	12%	0.12	C	C	.	.			trans	-71	143.6	170.9	-66.6	-176.6	-171.9	77.2	5.3	109.7	D142 L143 G324 A325 E412 S423 N485 H490 Q498 K500	D142-R488 WeakPolarHBondContact OD1-CD 3.12Å; D142-R488 IonicContact OD1-CZ 3.22Å; D142-R488 IonicContact OD1-NH1 3.72Å; D142-R488 PolarHBondContact OD1-NH1 2.8Å; D142-R488 WeakPolarHBondContact OD2-CB 3.19Å; D142-R488 WeakPolarHBondContact OD2-CG 3.37Å; D142-R488 PolarHBondContact OD2-N 2.94Å; D142-R488 IonicContact OD2-NH1 3.31Å; L143-R488 HydrophobicContact CB-CB 3.95Å; L143-R488 HydrophobicContact CD1-CB 4.12Å; G324-R488 CarbonylContact C-O 3.58Å; G324-R488 WeakPolarHBondContact CA-O 3.39Å; A325-R488 PolarHBondContact N-O 2.89Å; E412-R488 IonicContact OE1-CZ 3.67Å; E412-R488 IonicContact OE1-NE 2.73Å; E412-R488 PolarHBondContact OE1-NE 2.84Å; E412-R488 IonicContact OE1-NH2 3.93Å; E412-R488 PolarHBondContact OE1-NH2 3.18Å; S423-R488 VanDerWaalsContact O-CZ 3.29Å; S423-R488 PolarHBondContact O-NH1 3.48Å; S423-R488 PolarHBondContact O-NH2 2.93Å; N485-R488 PolarHBondContact ND2-NH1 2.86Å; R488-H490 PolarHBondContact O-N 3.45Å; R488-Q498 HydrophobicContact CB-CB 3.89Å; R488-Q498 HydrophobicContact CB-CG 4.27Å; R488-Q498 WeakPolarHBondContact CD-O 3.4Å; R488-Q498 HydrophobicContact CG-CB 3.9Å; R488-Q498 PolarHBondContact NE-O 3.42Å; R488-K500 HydrophobicContact CG-CD 4.34Å; R488-K500 VanDerWaalsContact CG-CE 3.4Å; R488-K500 HydrophobicContact CG-CG 3.97Å
489	V	97.3	Very high	96.2	Very high	1 Å²	1	24.3 Å²	24.3	1%	0.006	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	-55	131.2	175.6	173.1	0	0	0	0	109.4	L143 A325 T327 Y331 Y491 L495 Q498	L143-V489 WeakPolarHBondContact CA-O 3.17Å; A325-V489 HydrophobicContact CB-CG2 4.44Å; A325-V489 VanDerWaalsContact O-CA 3.24Å; A325-V489 WeakPolarHBondContact O-CA 3.5Å; T327-V489 HydrophobicContact CG2-CG1 4.01Å; T327-V489 HydrophobicContact CG2-CG2 4.48Å; Y331-V489 HydrophobicContact CD2-CG2 4.36Å; Y331-V489 HydrophobicContact CE2-CG2 4.49Å; V489-Y491 WeakPolarHBondContact CG1-O 3.39Å; V489-L495 WeakPolarHBondContact O-CD2 3.17Å; V489-Q498 VanDerWaalsContact CB-CD 3.44Å; V489-Q498 HydrophobicContact CB-CG 3.92Å; V489-Q498 VanDerWaalsContact CG2-CD 3.43Å; V489-Q498 HydrophobicContact CG2-CG 4.43Å
490	H	96.1	Very high	96.2	Very high	6 Å²	6	24.4 Å²	24.4	3%	0.028	12%	0.115	C	C	.	.			trans	-94.1	-17.5	-172.5	69.5	-88.2	0	0	0	113.4	Y136 C138 E140 L141 G144 A325 R488	Y136-H490 WeakPolarHBondContact CE2-O 3.39Å; Y136-H490 PolarHBondContact OH-O 2.82Å; C138-H490 VanDerWaalsContact SG-CD2 3.54Å; E140-H490 IonicContact OE1-CD2 3.84Å; E140-H490 IonicContact OE1-NE2 2.79Å; E140-H490 PolarHBondContact OE1-NE2 2.8Å; L141-H490 WeakPolarHBondContact O-CB 3.43Å; G144-H490 WeakPolarHBondContact CA-O 3.46Å; A325-H490 PolarHBondContact O-N 2.63Å; A325-H490 PolarHBondContact O-ND1 3.38Å; R488-H490 PolarHBondContact O-N 3.45Å
491	Y	93.8	Very high	96.2	Very high	72 Å²	72	24.3 Å²	24.3	28%	0.282	11%	0.114	S	C	.	.	S	Bend	trans	-140.9	149	-172.3	-177.5	-92.8	0	0	0	113.2	Y136 S202 V489	Y136-Y491 WeakPolarHBondContact OH-CA 3.35Å; S202-Y491 WeakPolarHBondContact CB-OH 3.4Å; S202-Y491 PolarHBondContact OG-OH 2.99Å; V489-Y491 WeakPolarHBondContact CG1-O 3.39Å
492	G	91.8	Very high	96.1	Very high	16 Å²	16	24.4 Å²	24.4	17%	0.165	12%	0.115	C	C	.	.	S	Bend	trans	93	-168.2	173.8	0	0	0	0	0	114.8	A494 L495	G492-A494 VanDerWaalsContact C-N 3.28Å; G492-A494 PolarHBondContact O-N 2.69Å; G492-L495 WeakPolarHBondContact O-CG 3.34Å
493	K	91.6	Very high	96	Very high	125 Å²	125	27.1 Å²	27.1	54%	0.543	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	0.2	-171.5	-62.2	-179.8	179.8	-177.4	0	114.4	F203 M205 L495	F203-K493 HydrophobicContact CD2-CG 4.16Å; F203-K493 HydrophobicContact CE2-CG 4.35Å; F203-K493 WeakPolarHBondContact O-CE 3.42Å; M205-K493 HydrophobicContact SD-CD 3.84Å; K493-L495 VanDerWaalsContact C-N 3.35Å
494	A	92.1	Very high	96	Very high	18 Å²	18	28 Å²	28	15%	0.149	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.1	-177.6	0	0	0	0	0	113.8	T327 G492 D496 K497 Q498	T327-A494 HydrophobicContact CG2-CB 4Å; G492-A494 VanDerWaalsContact C-N 3.28Å; G492-A494 PolarHBondContact O-N 2.69Å; A494-D496 VanDerWaalsContact C-N 3.33Å; A494-D496 PolarHBondContact O-N 2.91Å; A494-K497 WeakPolarHBondContact O-CB 2.74Å; A494-K497 PolarHBondContact O-N 2.86Å; A494-Q498 WeakPolarHBondContact O-CG 3.26Å; A494-Q498 PolarHBondContact O-NE2 2.9Å; A494-Q498 VanDerWaalsContact O-NE2 3.08Å
495	L	94.7	Very high	95.9	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-53.3	-45.9	-175.8	-66	170.2	0	0	0	112.4	Y136 L143 L158 V489 G492 K493 K497 Q498	Y136-L495 HydrophobicContact CD2-CD1 4.27Å; Y136-L495 HydrophobicContact CE2-CD1 3.8Å; Y136-L495 HydrophobicContact CE2-CD2 4.33Å; L143-L495 HydrophobicContact CD1-CB 4.38Å; L143-L495 HydrophobicContact CD1-CD2 4.09Å; L158-L495 HydrophobicContact CD1-CB 3.87Å; V489-L495 WeakPolarHBondContact O-CD2 3.17Å; G492-L495 WeakPolarHBondContact O-CG 3.34Å; K493-L495 VanDerWaalsContact C-N 3.35Å; L495-K497 PolarHBondContact O-N 2.95Å; L495-K497 VanDerWaalsContact O-N 3.1Å; L495-Q498 WeakPolarHBondContact O-CB 3.32Å; L495-Q498 WeakPolarHBondContact O-CG 3.35Å; L495-Q498 PolarHBondContact O-N 2.91Å; L495-Q498 VanDerWaalsContact O-N 3.12Å
496	D	94	Very high	96	Very high	41 Å²	41	30.5 Å²	30.5	22%	0.219	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-66.6	-16.1	-178.2	-57.4	-22	0	0	0	113.7	L158 A494 R499	L158-D496 VanDerWaalsContact CB-OD1 3.23Å; L158-D496 WeakPolarHBondContact CB-OD1 3.45Å; L158-D496 VanDerWaalsContact CG-OD1 3.22Å; L158-D496 WeakPolarHBondContact CG-OD1 3.43Å; L158-D496 PolarHBondContact N-OD1 3.41Å; A494-D496 VanDerWaalsContact C-N 3.33Å; A494-D496 PolarHBondContact O-N 2.91Å; D496-R499 PolarHBondContact O-NH1 3.12Å; D496-R499 VanDerWaalsContact O-NH1 3.16Å
497	K	93.4	Very high	96	Very high	163 Å²	163	32.7 Å²	32.7	71%	0.709	17%	0.165	S	C	*	.	G	3₁₀ helix	trans	-94.7	2.9	-179.9	-56.9	-176.4	-173.4	-177.8	0	112.8	A494 L495 R499	A494-K497 WeakPolarHBondContact O-CB 2.74Å; A494-K497 PolarHBondContact O-N 2.86Å; L495-K497 PolarHBondContact O-N 2.95Å; L495-K497 VanDerWaalsContact O-N 3.1Å; K497-R499 PolarHBondContact O-N 3.43Å; K497-R499 VanDerWaalsContact O-N 3.11Å
498	Q	96.3	Very high	96.1	Very high	16 Å²	16	33.4 Å²	33.4	8%	0.075	17%	0.169	C	C	.	.			trans	-85.3	33.2	-172.5	-61.5	-53.6	-60.9	0	0	114.3	L143 L151 R488 V489 A494 L495	L143-Q498 HydrophobicContact CD1-CB 3.78Å; L143-Q498 HydrophobicContact CD1-CG 4.04Å; L151-Q498 HydrophobicContact CD1-CB 4.12Å; L151-Q498 WeakPolarHBondContact CD1-O 3.34Å; R488-Q498 HydrophobicContact CB-CB 3.89Å; R488-Q498 HydrophobicContact CB-CG 4.27Å; R488-Q498 WeakPolarHBondContact CD-O 3.4Å; R488-Q498 HydrophobicContact CG-CB 3.9Å; R488-Q498 PolarHBondContact NE-O 3.42Å; V489-Q498 VanDerWaalsContact CB-CD 3.44Å; V489-Q498 HydrophobicContact CB-CG 3.92Å; V489-Q498 VanDerWaalsContact CG2-CD 3.43Å; V489-Q498 HydrophobicContact CG2-CG 4.43Å; A494-Q498 WeakPolarHBondContact O-CG 3.26Å; A494-Q498 PolarHBondContact O-NE2 2.9Å; A494-Q498 VanDerWaalsContact O-NE2 3.08Å; L495-Q498 WeakPolarHBondContact O-CB 3.32Å; L495-Q498 WeakPolarHBondContact O-CG 3.35Å; L495-Q498 PolarHBondContact O-N 2.91Å; L495-Q498 VanDerWaalsContact O-N 3.12Å
499	R	97.5	Very high	96	Very high	40 Å²	40	36.9 Å²	36.9	15%	0.151	19%	0.188	C	C	.	.			trans	-69	138.1	167.1	-67.9	177.2	-171.4	80.9	7.7	109.3	L151 D153 E154 N410 E412 R446 D496 K497 V503	L151-R499 HydrophobicContact CB-CG 4.06Å; L151-R499 VanDerWaalsContact O-CZ 3.24Å; L151-R499 PolarHBondContact O-NE 3.21Å; L151-R499 PolarHBondContact O-NH2 3.35Å; D153-R499 PolarHBondContact O-NH2 3.5Å; E154-R499 VanDerWaalsContact CA-NH2 3.3Å; E154-R499 PolarHBondContact O-NH2 3.09Å; N410-R499 HydrophobicContact CB-CB 4.24Å; E412-R499 VanDerWaalsContact OE2-CA 3.23Å; E412-R499 WeakPolarHBondContact OE2-CA 3.32Å; E412-R499 WeakPolarHBondContact OE2-CB 3.45Å; R446-R499 WeakPolarHBondContact CB-O 3.4Å; D496-R499 PolarHBondContact O-NH1 3.12Å; D496-R499 VanDerWaalsContact O-NH1 3.16Å; K497-R499 PolarHBondContact O-N 3.43Å; K497-R499 VanDerWaalsContact O-N 3.11Å; R499-V503 HydrophobicContact CB-CG1 4.04Å; R499-V503 WeakPolarHBondContact O-CG1 3.37Å
500	K	97.9	Very high	96	Very high	1 Å²	1	42.2 Å²	42.2	0%	0.004	22%	0.216	C	C	.	.			trans	-114.3	165.3	-170.7	-61.2	-67.3	-178.6	167.9	0	111.9	N410 M411 E412 R446 D447 N485 G487 R488	N410-K500 CarbonylContact C-O 3.53Å; N410-K500 WeakPolarHBondContact CA-O 3.32Å; N410-K500 VanDerWaalsContact CB-O 3.27Å; N410-K500 WeakPolarHBondContact CB-O 3.18Å; M411-K500 HydrophobicContact CB-CB 4.31Å; M411-K500 WeakPolarHBondContact CB-O 3.31Å; M411-K500 HydrophobicContact CG-CB 4.23Å; M411-K500 WeakPolarHBondContact CG-O 3.39Å; M411-K500 PolarHBondContact N-O 3.15Å; M411-K500 HydrophobicContact SD-CB 3.4Å; M411-K500 WeakPolarHBondContact SD-CB 3.49Å; E412-K500 PolarHBondContact OE1-N 2.64Å; E412-K500 VanDerWaalsContact OE1-N 3.14Å; E412-K500 PolarHBondContact OE2-N 2.75Å; R446-K500 HydrophobicContact CB-CD 4.1Å; D447-K500 IonicContact OD1-NZ 3.73Å; D447-K500 PolarHBondContact OD1-NZ 3.08Å; D447-K500 IonicContact OD2-NZ 2.85Å; D447-K500 PolarHBondContact OD2-NZ 3.43Å; N485-K500 HydrophobicContact CB-CB 4.04Å; N485-K500 HydrophobicContact CB-CD 4.49Å; N485-K500 HydrophobicContact CB-CG 4.14Å; N485-K500 WeakPolarHBondContact OD1-CD 3.4Å; N485-K500 WeakPolarHBondContact OD1-CE 3.4Å; G487-K500 PolarHBondContact O-NZ 2.77Å; R488-K500 HydrophobicContact CG-CD 4.34Å; R488-K500 VanDerWaalsContact CG-CE 3.4Å; R488-K500 HydrophobicContact CG-CG 3.97Å
501	G	98	Very high	96	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	87.2	-137.9	-172	0	0	0	0	0	111.8	Y429 R446	Y429-G501 WeakPolarHBondContact OH-CA 3.45Å; R446-G501 PolarHBondContact N-O 2.84Å; R446-G501 PolarHBondContact O-N 3.02Å
502	L	98.2	Very high	96.2	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	116	173.7	-61.5	-172.5	0	0	0	110.2	P408 N410 Y429 N444 V445 L481 V483 I506	P408-L502 HydrophobicContact CB-CB 3.69Å; P408-L502 HydrophobicContact CB-CD1 4.12Å; P408-L502 HydrophobicContact CG-CD1 4.43Å; N410-L502 WeakPolarHBondContact CA-O 3.16Å; N410-L502 PolarHBondContact N-O 3.39Å; Y429-L502 HydrophobicContact CD1-CB 4.36Å; Y429-L502 HydrophobicContact CD1-CD1 3.62Å; Y429-L502 HydrophobicContact CD1-CG 3.98Å; Y429-L502 HydrophobicContact CD2-CD1 3.94Å; Y429-L502 HydrophobicContact CD2-CG 3.84Å; Y429-L502 HydrophobicContact CE1-CB 3.92Å; Y429-L502 HydrophobicContact CE1-CD1 4.05Å; Y429-L502 HydrophobicContact CE1-CG 3.92Å; Y429-L502 HydrophobicContact CE2-CB 4.42Å; Y429-L502 HydrophobicContact CE2-CD1 4.35Å; Y429-L502 HydrophobicContact CE2-CG 3.8Å; Y429-L502 HydrophobicContact CG-CD1 3.56Å; Y429-L502 HydrophobicContact CG-CG 3.95Å; Y429-L502 PolarHBondContact OH-N 3.25Å; Y429-L502 VanDerWaalsContact OH-N 3.14Å; N444-L502 WeakPolarHBondContact O-CA 3.31Å; V445-L502 HydrophobicContact CG2-CD2 3.72Å; L481-L502 HydrophobicContact CD2-CD2 4.45Å; V483-L502 HydrophobicContact CG2-CD2 3.79Å; V483-L502 HydrophobicContact CG2-CG 4.11Å; L502-I506 HydrophobicContact CD1-CG1 3.97Å; L502-I506 HydrophobicContact CD2-CD1 4.08Å; L502-I506 HydrophobicContact CD2-CG1 4.33Å
503	V	96.9	Very high	96.5	Very high	59 Å²	59	44.6 Å²	44.6	36%	0.358	24%	0.239	S	C	.	.			trans	-99.1	4.4	-177.3	-60.4	0	0	0	0	113.6	N410 N444 R446 R499	N410-V503 HydrophobicContact CB-CG1 4.22Å; N444-V503 HydrophobicContact CB-CG2 4.3Å; N444-V503 WeakPolarHBondContact O-CG2 3.28Å; N444-V503 PolarHBondContact O-N 3.33Å; R446-V503 HydrophobicContact CB-CG1 4.44Å; R446-V503 HydrophobicContact CG-CG1 3.87Å; R446-V503 HydrophobicContact CG-CG2 3.91Å; R499-V503 HydrophobicContact CB-CG1 4.04Å; R499-V503 WeakPolarHBondContact O-CG1 3.37Å
504	G	96.8	Very high	96.9	Very high	20 Å²	20	42.7 Å²	42.7	21%	0.206	23%	0.228	C	C	.	.	S	Bend	trans	-175.3	-173.8	-178.5	0	0	0	0	0	111.7
505	D	98.1	Very high	97.1	Very high	53 Å²	53	47.6 Å²	47.6	28%	0.283	25%	0.252	S	S	.	.			trans	-67.2	141.4	-174.6	-77.1	-15.3	0	0	0	113	N444 L507 P512 R514	N444-D505 PolarHBondContact ND2-N 2.82Å; N444-D505 PolarHBondContact ND2-O 2.65Å; D505-L507 HydrophobicContact CB-CD2 3.99Å; D505-P512 HydrophobicContact CB-CB 4.06Å; D505-P512 WeakPolarHBondContact OD2-CB 3.38Å; D505-R514 VanDerWaalsContact CG-NH1 3.26Å; D505-R514 IonicContact OD1-CZ 3.37Å; D505-R514 IonicContact OD1-NH1 2.66Å; D505-R514 PolarHBondContact OD1-NH1 2.64Å; D505-R514 IonicContact OD1-NH2 2.73Å; D505-R514 IonicContact OD2-CZ 3.46Å; D505-R514 IonicContact OD2-NH1 3.6Å; D505-R514 PolarHBondContact OD2-NH1 2.96Å; D505-R514 IonicContact OD2-NH2 3.05Å; D505-R514 PolarHBondContact OD2-NH2 2.84Å
506	I	98.3	Very high	97.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.252	C	S	.	.			trans	-101.4	130	164.1	-55.3	-60.2	0	0	0	107.3	L439 V445 L481 L502 L513	L439-I506 HydrophobicContact CD1-CG2 3.68Å; L439-I506 HydrophobicContact CG-CG2 4.12Å; V445-I506 HydrophobicContact CG2-CD1 4.2Å; L481-I506 HydrophobicContact CD2-CD1 4.39Å; L481-I506 HydrophobicContact CD2-CG1 4.14Å; L481-I506 HydrophobicContact CD2-CG2 4.46Å; L502-I506 HydrophobicContact CD1-CG1 3.97Å; L502-I506 HydrophobicContact CD2-CD1 4.08Å; L502-I506 HydrophobicContact CD2-CG1 4.33Å; I506-L513 HydrophobicContact CB-CD1 4.29Å; I506-L513 HydrophobicContact CG2-CD1 3.98Å; I506-L513 WeakPolarHBondContact O-CB 3.47Å; I506-L513 WeakPolarHBondContact O-CG 3.45Å; I506-L513 PolarHBondContact O-N 3.13Å
507	L	98.4	Very high	97.6	Very high	54 Å²	54	47.1 Å²	47.1	28%	0.283	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	130.3	-172.8	-49.2	-177.8	0	0	0	110.6	L439 K440 D505 S511 P512	L439-L507 CarbonylContact C-O 3.57Å; L439-L507 VanDerWaalsContact CA-O 3.31Å; L439-L507 WeakPolarHBondContact CA-O 3.24Å; K440-L507 HydrophobicContact CB-CB 4.41Å; K440-L507 PolarHBondContact N-O 3.2Å; K440-L507 PolarHBondContact O-N 2.93Å; D505-L507 HydrophobicContact CB-CD2 3.99Å; L507-S511 CarbonylContact C-O 3.56Å; L507-S511 VanDerWaalsContact CA-O 3.31Å; L507-S511 WeakPolarHBondContact CA-O 3.4Å; L507-P512 HydrophobicContact CD2-CB 3.69Å
508	L	98.1	Very high	97.8	Very high	14 Å²	14	39.5 Å²	39.5	7%	0.073	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.3	165	179.3	63.4	0	0	0	108.6	I433 S438 L439 V470 N510 S511 L513	I433-L508 HydrophobicContact CB-CD2 4.07Å; I433-L508 HydrophobicContact CG2-CD2 3.83Å; S438-L508 CarbonylContact O-C 3.47Å; S438-L508 WeakPolarHBondContact O-CA 3.22Å; L439-L508 HydrophobicContact CB-CD1 4.45Å; L439-L508 HydrophobicContact CD1-CB 4.24Å; L439-L508 HydrophobicContact CD1-CD1 4.43Å; V470-L508 HydrophobicContact CB-CD1 4.3Å; V470-L508 HydrophobicContact CG2-CD1 4.17Å; L508-N510 PolarHBondContact O-N 2.73Å; L508-S511 PolarHBondContact N-O 2.81Å; L508-S511 WeakPolarHBondContact O-CB 3.47Å; L508-S511 PolarHBondContact O-N 2.89Å; L508-L513 HydrophobicContact CB-CD2 3.83Å; L508-L513 HydrophobicContact CB-CG 4.25Å; L508-L513 HydrophobicContact CD2-CD2 4.39Å
509	N	96.8	Very high	97.9	Very high	74 Å²	74	40.7 Å²	40.7	40%	0.396	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	43.6	-175.2	-59.8	-35.6	0	0	0	112.4	G436 G437 S438 S511	G436-N509 PolarHBondContact O-ND2 2.67Å; G437-N509 WeakPolarHBondContact CA-OD1 3.48Å; S438-N509 PolarHBondContact N-OD1 2.65Å; S438-N509 PolarHBondContact O-N 2.79Å; N509-S511 PolarHBondContact O-N 2.97Å; N509-S511 VanDerWaalsContact O-N 3.12Å
510	N	96.4	Very high	97.9	Very high	112 Å²	112	39.3 Å²	39.3	60%	0.599	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	61.2	9.8	-175.3	-49.4	-46.7	0	0	0	115.3	K440 L508	K440-N510 PolarHBondContact NZ-OD1 2.67Å; K440-N510 VanDerWaalsContact NZ-OD1 3.14Å; L508-N510 PolarHBondContact O-N 2.73Å
511	S	97.6	Very high	97.8	Very high	75 Å²	75	39.3 Å²	39.3	52%	0.524	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	132.3	172.6	-60.6	0	0	0	0	109.8	L507 L508 N509	L507-S511 CarbonylContact C-O 3.56Å; L507-S511 VanDerWaalsContact CA-O 3.31Å; L507-S511 WeakPolarHBondContact CA-O 3.4Å; L508-S511 PolarHBondContact N-O 2.81Å; L508-S511 WeakPolarHBondContact O-CB 3.47Å; L508-S511 PolarHBondContact O-N 2.89Å; N509-S511 PolarHBondContact O-N 2.97Å; N509-S511 VanDerWaalsContact O-N 3.12Å
512	P	98.1	Very high	97.5	Very high	54 Å²	54	40.2 Å²	40.2	35%	0.351	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	134.9	-177.7	31.7	-36.2	0	0	0	111.3	D505 L507	D505-P512 HydrophobicContact CB-CB 4.06Å; D505-P512 WeakPolarHBondContact OD2-CB 3.38Å; L507-P512 HydrophobicContact CD2-CB 3.69Å
513	L	98.3	Very high	97.3	Very high	16 Å²	16	40.4 Å²	40.4	8%	0.084	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-72.1	148.4	175	-65.4	175.1	0	0	0	110.6	T431 I433 L439 L479 I506 L508 F516	T431-L513 HydrophobicContact CG2-CB 4.29Å; T431-L513 HydrophobicContact CG2-CD1 4.09Å; I433-L513 HydrophobicContact CG2-CD2 3.8Å; L439-L513 HydrophobicContact CD1-CD1 3.79Å; L479-L513 HydrophobicContact CD2-CD1 3.45Å; L479-L513 VanDerWaalsContact CD2-CD1 3.45Å; I506-L513 HydrophobicContact CB-CD1 4.29Å; I506-L513 HydrophobicContact CG2-CD1 3.98Å; I506-L513 WeakPolarHBondContact O-CB 3.47Å; I506-L513 WeakPolarHBondContact O-CG 3.45Å; I506-L513 PolarHBondContact O-N 3.13Å; L508-L513 HydrophobicContact CB-CD2 3.83Å; L508-L513 HydrophobicContact CB-CG 4.25Å; L508-L513 HydrophobicContact CD2-CD2 4.39Å; L513-F516 HydrophobicContact CB-CE2 4.16Å; L513-F516 HydrophobicContact CB-CZ 3.83Å; L513-F516 WeakPolarHBondContact O-CE2 3.17Å
514	R	98.1	Very high	97.1	Very high	85 Å²	85	41.1 Å²	41.1	32%	0.321	22%	0.222	S	C	.	.			trans	-138	173.1	-172.8	-62.7	-65.8	172.4	-120.5	11.1	111	P406 T431 D505	P406-R514 VanDerWaalsContact O-CA 3.25Å; P406-R514 WeakPolarHBondContact O-CA 2.85Å; P406-R514 WeakPolarHBondContact O-CB 3.4Å; P406-R514 WeakPolarHBondContact O-CD 3.37Å; T431-R514 PolarHBondContact OG1-O 2.75Å; D505-R514 VanDerWaalsContact CG-NH1 3.26Å; D505-R514 IonicContact OD1-CZ 3.37Å; D505-R514 IonicContact OD1-NH1 2.66Å; D505-R514 PolarHBondContact OD1-NH1 2.64Å; D505-R514 IonicContact OD1-NH2 2.73Å; D505-R514 IonicContact OD2-CZ 3.46Å; D505-R514 IonicContact OD2-NH1 3.6Å; D505-R514 PolarHBondContact OD2-NH1 2.96Å; D505-R514 IonicContact OD2-NH2 3.05Å; D505-R514 PolarHBondContact OD2-NH2 2.84Å
515	D	98.3	Very high	96.8	Very high	120 Å²	120	43.2 Å²	43.2	64%	0.642	23%	0.231	S	C	*	.			trans	57.2	58.5	172.8	-54.3	-42	0	0	0	113	S405 P406	S405-D515 CarbonylContact O-C 3.53Å; P406-D515 PolarHBondContact O-N 3.41Å
516	F	98.7	Very high	96.5	Very high	1 Å²	1	44.7 Å²	44.7	0%	0.004	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	139.2	179.1	-73.7	-88.3	0	0	0	112.3	K404 S405 P408 E430 T431 L513 I518	K404-F516 CarbonylContact C-O 3.52Å; K404-F516 WeakPolarHBondContact CA-O 3.41Å; S405-F516 PolarHBondContact N-O 2.93Å; S405-F516 PolarHBondContact O-N 2.95Å; P408-F516 HydrophobicContact CG-CD2 4.03Å; P408-F516 HydrophobicContact CG-CE2 3.55Å; P408-F516 HydrophobicContact CG-CZ 3.96Å; E430-F516 CarbonylContact O-C 3.54Å; E430-F516 VanDerWaalsContact O-CA 3.26Å; E430-F516 WeakPolarHBondContact O-CA 3.41Å; T431-F516 HydrophobicContact CG2-CD1 4.35Å; T431-F516 HydrophobicContact CG2-CE1 3.83Å; T431-F516 HydrophobicContact CG2-CZ 4.16Å; L513-F516 HydrophobicContact CB-CE2 4.16Å; L513-F516 HydrophobicContact CB-CZ 3.83Å; L513-F516 WeakPolarHBondContact O-CE2 3.17Å; F516-I518 HydrophobicContact CB-CD1 4.27Å; F516-I518 HydrophobicContact CB-CG1 3.94Å
517	T	98.6	Very high	96.3	Very high	32 Å²	32	45.4 Å²	45.4	20%	0.196	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122	160	-57.6	0	0	0	0	107.7	P402 E430 Y519	P402-T517 HydrophobicContact CB-CG2 3.62Å; P402-T517 HydrophobicContact CG-CG2 4.1Å; E430-T517 PolarHBondContact N-O 2.97Å; E430-T517 PolarHBondContact O-N 2.81Å; T517-Y519 HydrophobicContact CG2-CE2 3.72Å
518	I	98.7	Very high	96.1	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.015	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.9	-167.9	-48.2	173.8	0	0	0	109.7	P402 F403 V409 L414 T427 L428 Y429 F516	P402-I518 CarbonylContact C-O 3.57Å; P402-I518 WeakPolarHBondContact CA-O 3.31Å; F403-I518 HydrophobicContact CD1-CD1 4.35Å; F403-I518 PolarHBondContact N-O 3.17Å; F403-I518 PolarHBondContact O-N 3.25Å; V409-I518 HydrophobicContact CB-CD1 4.09Å; V409-I518 HydrophobicContact CG2-CD1 4.5Å; L414-I518 HydrophobicContact CD1-CG2 4.3Å; L414-I518 HydrophobicContact CD2-CB 4.37Å; L414-I518 HydrophobicContact CD2-CD1 4.24Å; L414-I518 HydrophobicContact CD2-CG2 3.84Å; T427-I518 HydrophobicContact CG2-CG2 3.47Å; T427-I518 VanDerWaalsContact CG2-CG2 3.47Å; L428-I518 CarbonylContact O-C 3.55Å; L428-I518 VanDerWaalsContact O-CA 3.31Å; L428-I518 WeakPolarHBondContact O-CA 3.37Å; Y429-I518 HydrophobicContact CD1-CB 4.4Å; Y429-I518 HydrophobicContact CD1-CD1 3.89Å; Y429-I518 HydrophobicContact CD1-CG1 3.76Å; Y429-I518 HydrophobicContact CD1-CG2 3.84Å; Y429-I518 HydrophobicContact CE1-CD1 3.87Å; Y429-I518 HydrophobicContact CE1-CG1 4.15Å; Y429-I518 HydrophobicContact CE1-CG2 3.73Å; Y429-I518 HydrophobicContact CG-CG2 4.35Å; F516-I518 HydrophobicContact CB-CD1 4.27Å; F516-I518 HydrophobicContact CB-CG1 3.94Å
519	Y	98.3	Very high	95.9	Very high	40 Å²	40	45.5 Å²	45.5	16%	0.157	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	126.4	178.7	-54	-104	0	0	0	110.1	L396 P402 T427 L428 E430 T517	L396-Y519 HydrophobicContact CB-CD1 4.16Å; L396-Y519 HydrophobicContact CB-CE1 4.22Å; L396-Y519 HydrophobicContact CD1-CD1 4.1Å; L396-Y519 HydrophobicContact CD1-CD2 4.35Å; L396-Y519 HydrophobicContact CD1-CE1 4.02Å; L396-Y519 HydrophobicContact CD1-CE2 4.27Å; L396-Y519 HydrophobicContact CD1-CG 4.28Å; L396-Y519 HydrophobicContact CD2-CD1 3.99Å; L396-Y519 HydrophobicContact CD2-CG 4Å; L396-Y519 HydrophobicContact CG-CD1 4.29Å; P402-Y519 HydrophobicContact CB-CD1 3.66Å; P402-Y519 HydrophobicContact CB-CD2 4.4Å; P402-Y519 HydrophobicContact CB-CE1 3.54Å; P402-Y519 HydrophobicContact CB-CE2 4.31Å; P402-Y519 HydrophobicContact CB-CG 4.09Å; P402-Y519 HydrophobicContact CG-CD1 4.2Å; P402-Y519 HydrophobicContact CG-CE1 3.69Å; T427-Y519 WeakPolarHBondContact CA-O 3.16Å; T427-Y519 WeakPolarHBondContact CG2-O 3.46Å; L428-Y519 HydrophobicContact CB-CD2 4.19Å; L428-Y519 HydrophobicContact CD2-CD2 3.97Å; L428-Y519 HydrophobicContact CD2-CE2 4.37Å; L428-Y519 HydrophobicContact CG-CD2 4.3Å; L428-Y519 PolarHBondContact N-O 2.8Å; L428-Y519 PolarHBondContact O-N 2.88Å; E430-Y519 HydrophobicContact CG-CE2 4.17Å; E430-Y519 WeakPolarHBondContact OE2-CE2 3.29Å; T517-Y519 HydrophobicContact CG2-CE2 3.72Å
520	S	97.3	Very high	95.8	Very high	11 Å²	11	43.3 Å²	43.3	8%	0.077	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	124.8	173.2	174.8	0	0	0	0	110.1	Q422	Q422-S520 VanDerWaalsContact CD-OG 3.23Å; Q422-S520 PolarHBondContact OE1-OG 3.32Å
521	L	96.7	Very high	95.7	Very high	1 Å²	1	38 Å²	38	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	72.7	175.1	-57.4	163.8	0	0	0	108.4	L392 L396 A399 Q422 G425 Y426 L482 M523 F527	L392-L521 HydrophobicContact CD1-CD1 3.62Å; L396-L521 HydrophobicContact CD2-CD1 4.31Å; L396-L521 HydrophobicContact CD2-CD2 4.09Å; A399-L521 HydrophobicContact CB-CD2 4.09Å; Q422-L521 VanDerWaalsContact NE2-C 3.32Å; Q422-L521 PolarHBondContact NE2-O 3.26Å; G425-L521 WeakPolarHBondContact CA-O 3.45Å; Y426-L521 PolarHBondContact N-O 2.87Å; Y426-L521 CarbonylContact O-C 3.3Å; Y426-L521 WeakPolarHBondContact O-CA 3.48Å; Y426-L521 VanDerWaalsContact O-CB 3.27Å; Y426-L521 WeakPolarHBondContact O-CB 3.31Å; Y426-L521 PolarHBondContact O-N 2.73Å; L482-L521 HydrophobicContact CD1-CD1 4.09Å; L521-M523 HydrophobicContact CB-CE 4.08Å; L521-M523 HydrophobicContact CB-SD 4.49Å; L521-M523 PolarHBondContact O-N 2.89Å; L521-F527 HydrophobicContact CD2-CE1 4.41Å; L521-F527 HydrophobicContact CD2-CE2 4.34Å; L521-F527 HydrophobicContact CD2-CZ 3.89Å
522	D	90.9	Very high	95.5	Very high	20 Å²	20	38.2 Å²	38.2	11%	0.107	21%	0.207	C	C	.	.			trans	-70.9	-9.9	179.4	65.5	11.1	0	0	0	113.7	N417 Q422 Y424 K524	N417-D522 PolarHBondContact OD1-OD2 3.04Å; Q422-D522 HydrophobicContact CG-CB 4.1Å; Y424-D522 WeakPolarHBondContact O-CA 3.31Å; D522-K524 HydrophobicContact CB-CG 4.4Å; D522-K524 VanDerWaalsContact CG-CG 3.46Å; D522-K524 PolarHBondContact O-N 2.95Å; D522-K524 WeakPolarHBondContact OD1-CB 3.31Å; D522-K524 WeakPolarHBondContact OD1-CG 3.4Å; D522-K524 PolarHBondContact OD1-N 3.2Å; D522-K524 WeakPolarHBondContact OD2-CD 3.32Å; D522-K524 WeakPolarHBondContact OD2-CE 3.4Å; D522-K524 WeakPolarHBondContact OD2-CG 3.37Å; D522-K524 IonicContact OD2-NZ 2.62Å
523	M	94.5	Very high	95.3	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.02	23%	0.226	C	C	.	.			trans	52.9	34.7	-179.6	-50.7	-68.9	-172.4	0	0	112.1	F321 Y426 L521 F527 I528 F548 F575 F610	F321-M523 HydrophobicContact CE2-CB 3.86Å; F321-M523 HydrophobicContact CE2-CG 4.32Å; F321-M523 HydrophobicContact CZ-CB 4.17Å; F321-M523 HydrophobicContact CZ-CG 4.22Å; Y426-M523 HydrophobicContact CD2-CE 3.65Å; Y426-M523 HydrophobicContact CD2-CG 4.46Å; Y426-M523 HydrophobicContact CE2-CE 4.26Å; Y426-M523 HydrophobicContact CG-CE 4.38Å; L521-M523 HydrophobicContact CB-CE 4.08Å; L521-M523 HydrophobicContact CB-SD 4.49Å; L521-M523 PolarHBondContact O-N 2.89Å; M523-F527 HydrophobicContact SD-CD1 4.08Å; M523-F527 HydrophobicContact SD-CE1 3.73Å; M523-I528 HydrophobicContact SD-CD1 4.37Å; M523-F548 HydrophobicContact CE-CE1 4.45Å; M523-F548 HydrophobicContact CE-CZ 4.04Å; M523-F548 HydrophobicContact SD-CE1 4.11Å; M523-F548 HydrophobicContact SD-CZ 3.99Å; M523-F575 HydrophobicContact CB-CE1 4.39Å; M523-F575 HydrophobicContact CB-CZ 4Å; M523-F610 HydrophobicContact CE-CD1 4.05Å; M523-F610 HydrophobicContact CE-CD2 4.15Å; M523-F610 HydrophobicContact CE-CE1 4.08Å; M523-F610 HydrophobicContact CE-CE2 4.18Å; M523-F610 HydrophobicContact CE-CG 4.08Å; M523-F610 HydrophobicContact CE-CZ 4.13Å
524	K	91.6	Very high	95.1	Very high	74 Å²	74	43 Å²	43	32%	0.322	23%	0.226	S	C	.	.			trans	-58.5	153.1	169.6	-78.1	176.9	-178	-179	0	110.2	E103 N417 D522 S526 F527 I528	E103-K524 IonicContact OE1-NZ 2.82Å; E103-K524 PolarHBondContact OE1-NZ 2.98Å; N417-K524 PolarHBondContact OD1-NZ 2.83Å; D522-K524 HydrophobicContact CB-CG 4.4Å; D522-K524 VanDerWaalsContact CG-CG 3.46Å; D522-K524 PolarHBondContact O-N 2.95Å; D522-K524 WeakPolarHBondContact OD1-CB 3.31Å; D522-K524 WeakPolarHBondContact OD1-CG 3.4Å; D522-K524 PolarHBondContact OD1-N 3.2Å; D522-K524 WeakPolarHBondContact OD2-CD 3.32Å; D522-K524 WeakPolarHBondContact OD2-CE 3.4Å; D522-K524 WeakPolarHBondContact OD2-CG 3.37Å; D522-K524 IonicContact OD2-NZ 2.62Å; K524-S526 PolarHBondContact O-N 3.45Å; K524-S526 VanDerWaalsContact O-N 3.15Å; K524-F527 WeakPolarHBondContact O-CB 3.45Å; K524-F527 PolarHBondContact O-N 2.85Å; K524-I528 PolarHBondContact O-N 2.75Å
525	T	91.3	Very high	94.9	Very high	65 Å²	65	43 Å²	43	40%	0.399	24%	0.237	S	C	.	.	H	α-helix	trans	-52.5	-37.8	175.1	-58.6	0	0	0	0	112	F527 I528 D529 G578	T525-F527 VanDerWaalsContact C-N 3.35Å; T525-F527 PolarHBondContact O-N 2.75Å; T525-I528 PolarHBondContact O-N 3.36Å; T525-D529 WeakPolarHBondContact CG2-OD2 3.44Å; T525-D529 VanDerWaalsContact O-CB 3.29Å; T525-D529 WeakPolarHBondContact O-CB 3.46Å; T525-D529 PolarHBondContact O-N 2.86Å; T525-G578 PolarHBondContact OG1-O 3.19Å
526	S	91.4	Very high	94.8	Very high	84 Å²	84	38.8 Å²	38.8	59%	0.587	21%	0.212	S	C	*	.	H	α-helix	trans	-60.5	-39.9	175.5	51.3	0	0	0	0	113.6	K524 S530	K524-S526 PolarHBondContact O-N 3.45Å; K524-S526 VanDerWaalsContact O-N 3.15Å; S526-S530 WeakPolarHBondContact O-CB 3.27Å; S526-S530 PolarHBondContact O-N 2.78Å
527	F	93.8	Very high	94.7	Very high	14 Å²	14	43.3 Å²	43.3	6%	0.061	24%	0.235	C	C	.	.	H	α-helix	trans	-67.5	-49.1	175	170.9	-107.1	0	0	0	110.5	F398 A399 L521 M523 K524 T525 D529 S530 L531 F548	F398-F527 HydrophobicContact CB-CE2 4.44Å; A399-F527 HydrophobicContact CB-CD2 4.48Å; A399-F527 HydrophobicContact CB-CE2 4.03Å; L521-F527 HydrophobicContact CD2-CE1 4.41Å; L521-F527 HydrophobicContact CD2-CE2 4.34Å; L521-F527 HydrophobicContact CD2-CZ 3.89Å; M523-F527 HydrophobicContact SD-CD1 4.08Å; M523-F527 HydrophobicContact SD-CE1 3.73Å; K524-F527 WeakPolarHBondContact O-CB 3.45Å; K524-F527 PolarHBondContact O-N 2.85Å; T525-F527 VanDerWaalsContact C-N 3.35Å; T525-F527 PolarHBondContact O-N 2.75Å; F527-D529 VanDerWaalsContact C-N 3.3Å; F527-D529 PolarHBondContact O-N 2.94Å; F527-S530 WeakPolarHBondContact O-CB 3.35Å; F527-S530 PolarHBondContact O-N 2.88Å; F527-S530 VanDerWaalsContact O-N 3.08Å; F527-S530 PolarHBondContact O-OG 2.82Å; F527-L531 HydrophobicContact CE1-CD1 4.2Å; F527-L531 HydrophobicContact CE2-CD2 4.04Å; F527-L531 HydrophobicContact CZ-CD1 4.37Å; F527-L531 HydrophobicContact CZ-CD2 3.96Å; F527-L531 HydrophobicContact CZ-CG 4.46Å; F527-L531 PolarHBondContact O-N 2.93Å; F527-F548 HydrophobicContact CE1-CE1 4.38Å; F527-F548 AromaticContact CE1-CZ 3.85Å; F527-F548 HydrophobicContact CE1-CZ 3.85Å; F527-F548 HydrophobicContact CZ-CZ 4.25Å
528	I	95.5	Very high	94.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-59.7	-41.7	179.1	-58.9	-60.9	0	0	0	111.5	M523 K524 T525 S530 L531 F548 F575 I608	M523-I528 HydrophobicContact SD-CD1 4.37Å; K524-I528 PolarHBondContact O-N 2.75Å; T525-I528 PolarHBondContact O-N 3.36Å; I528-S530 VanDerWaalsContact C-N 3.33Å; I528-S530 PolarHBondContact O-N 3.2Å; I528-L531 HydrophobicContact CD1-CD1 4.46Å; I528-L531 WeakPolarHBondContact O-CB 3.36Å; I528-L531 PolarHBondContact O-N 2.75Å; I528-F548 HydrophobicContact CD1-CE1 4.15Å; I528-F575 HydrophobicContact CD1-CD1 4.19Å; I528-F575 HydrophobicContact CD1-CD2 4.26Å; I528-F575 HydrophobicContact CD1-CE1 3.8Å; I528-F575 HydrophobicContact CD1-CE2 3.9Å; I528-F575 HydrophobicContact CD1-CG 4.41Å; I528-F575 HydrophobicContact CD1-CZ 3.65Å; I528-F575 HydrophobicContact CG1-CD1 3.81Å; I528-F575 HydrophobicContact CG1-CE1 3.62Å; I528-F575 HydrophobicContact CG1-CG 4.37Å; I528-F575 HydrophobicContact CG1-CZ 4.04Å; I528-F575 HydrophobicContact CG2-CB 4.41Å; I528-F575 HydrophobicContact CG2-CD1 4.33Å; I528-F575 HydrophobicContact CG2-CG 4.29Å; I528-I608 HydrophobicContact CG2-CD1 3.9Å
529	D	93.6	Very high	94.1	Very high	71 Å²	71	48.9 Å²	48.9	38%	0.38	27%	0.271	S	S	.	.	H	α-helix	trans	-65.6	-35.6	176.7	-72.4	-16.4	0	0	0	112.2	T525 F527 L531 N532	T525-D529 WeakPolarHBondContact CG2-OD2 3.44Å; T525-D529 VanDerWaalsContact O-CB 3.29Å; T525-D529 WeakPolarHBondContact O-CB 3.46Å; T525-D529 PolarHBondContact O-N 2.86Å; F527-D529 VanDerWaalsContact C-N 3.3Å; F527-D529 PolarHBondContact O-N 2.94Å; D529-L531 PolarHBondContact O-N 2.83Å; D529-N532 VanDerWaalsContact O-CB 3.3Å; D529-N532 WeakPolarHBondContact O-CB 3.37Å; D529-N532 PolarHBondContact O-N 2.78Å; D529-N532 VanDerWaalsContact O-N 3.16Å; D529-N532 PolarHBondContact O-ND2 3.29Å
530	S	94.3	Very high	93.6	Very high	28 Å²	28	49.1 Å²	49.1	20%	0.196	28%	0.277	C	S	.	.	H	α-helix	trans	-63.7	-29.9	176.6	80.6	0	0	0	0	112.3	S526 F527 I528 N532 Q533	S526-S530 WeakPolarHBondContact O-CB 3.27Å; S526-S530 PolarHBondContact O-N 2.78Å; F527-S530 WeakPolarHBondContact O-CB 3.35Å; F527-S530 PolarHBondContact O-N 2.88Å; F527-S530 VanDerWaalsContact O-N 3.08Å; F527-S530 PolarHBondContact O-OG 2.82Å; I528-S530 VanDerWaalsContact C-N 3.33Å; I528-S530 PolarHBondContact O-N 3.2Å; S530-N532 PolarHBondContact O-N 2.89Å; S530-N532 VanDerWaalsContact O-N 3.09Å; S530-Q533 PolarHBondContact O-N 3.31Å
531	L	95.3	Very high	93	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-62.8	-18.1	177	-57.7	-176.6	0	0	0	112.2	L390 A395 F398 F527 I528 D529 Q533 A534 W536 F548	L390-L531 HydrophobicContact CD2-CB 4.48Å; L390-L531 HydrophobicContact CD2-CD1 4.46Å; L390-L531 HydrophobicContact CD2-CD2 4.04Å; A395-L531 HydrophobicContact CB-CD2 4.02Å; F398-L531 HydrophobicContact CB-CD2 4Å; F398-L531 HydrophobicContact CG-CD2 4.38Å; F527-L531 HydrophobicContact CE1-CD1 4.2Å; F527-L531 HydrophobicContact CE2-CD2 4.04Å; F527-L531 HydrophobicContact CZ-CD1 4.37Å; F527-L531 HydrophobicContact CZ-CD2 3.96Å; F527-L531 HydrophobicContact CZ-CG 4.46Å; F527-L531 PolarHBondContact O-N 2.93Å; I528-L531 HydrophobicContact CD1-CD1 4.46Å; I528-L531 WeakPolarHBondContact O-CB 3.36Å; I528-L531 PolarHBondContact O-N 2.75Å; D529-L531 PolarHBondContact O-N 2.83Å; L531-Q533 PolarHBondContact O-N 2.89Å; L531-A534 WeakPolarHBondContact O-CB 3.24Å; L531-A534 PolarHBondContact O-N 3.06Å; L531-W536 HydrophobicContact CB-CZ2 4.11Å; L531-W536 PolarHBondContact O-NE1 2.62Å; L531-F548 HydrophobicContact CD1-CD1 3.82Å; L531-F548 HydrophobicContact CD1-CD2 4.22Å; L531-F548 HydrophobicContact CD1-CE1 3.82Å; L531-F548 HydrophobicContact CD1-CE2 4.23Å; L531-F548 HydrophobicContact CD1-CG 4.03Å; L531-F548 HydrophobicContact CD1-CZ 4.04Å
532	N	91.9	Very high	92.6	Very high	80 Å²	80	62.8 Å²	62.8	43%	0.428	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-59	-20	173	-68.3	-50.7	0	0	0	113.4	D529 S530 Q606	D529-N532 VanDerWaalsContact O-CB 3.3Å; D529-N532 WeakPolarHBondContact O-CB 3.37Å; D529-N532 PolarHBondContact O-N 2.78Å; D529-N532 VanDerWaalsContact O-N 3.16Å; D529-N532 PolarHBondContact O-ND2 3.29Å; S530-N532 PolarHBondContact O-N 2.89Å; S530-N532 VanDerWaalsContact O-N 3.09Å; N532-Q606 PolarHBondContact OD1-NE2 3.12Å
533	Q	93.6	Very high	92.7	Very high	161 Å²	161	62.7 Å²	62.7	75%	0.752	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-97.1	-1.4	176.3	-60.5	174.6	55	0	0	112.9	F398 S530 L531	F398-Q533 HydrophobicContact CE1-CB 4.02Å; S530-Q533 PolarHBondContact O-N 3.31Å; L531-Q533 PolarHBondContact O-N 2.89Å
534	A	95	Very high	92.6	Very high	10 Å²	10	64.9 Å²	64.9	8%	0.083	36%	0.363	C	S	.	.	S	Bend	trans	-70.4	156.3	-178.5	0	0	0	0	0	112.6	L390 F398 L531 W536	L390-A534 HydrophobicContact CD1-CB 4.02Å; L390-A534 HydrophobicContact CD2-CB 3.54Å; L390-A534 HydrophobicContact CG-CB 4.44Å; F398-A534 HydrophobicContact CD2-CB 3.98Å; F398-A534 HydrophobicContact CE2-CB 3.6Å; F398-A534 HydrophobicContact CZ-CB 3.93Å; L531-A534 WeakPolarHBondContact O-CB 3.24Å; L531-A534 PolarHBondContact O-N 3.06Å; A534-W536 VanDerWaalsContact O-CD1 3.23Å; A534-W536 PolarHBondContact O-N 3.35Å
535	P	94	Very high	92.8	Very high	84 Å²	84	63.7 Å²	63.7	55%	0.545	36%	0.358	S	S	.	.			trans	-75.4	67.7	177.5	33.2	-36.7	0	0	0	111	L390 M537	L390-P535 HydrophobicContact CD1-CG 4.47Å; P535-M537 PolarHBondContact O-N 2.91Å
536	W	96.3	Very high	93.2	Very high	31 Å²	31	60.6 Å²	60.6	12%	0.117	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-60.8	126.3	176.7	-70.7	92.8	0	0	0	111.4	Q388 L390 L531 A534 F548 L550	Q388-W536 HydrophobicContact CB-CB 4.06Å; Q388-W536 HydrophobicContact CB-CD2 4.3Å; Q388-W536 HydrophobicContact CB-CE3 3.8Å; Q388-W536 HydrophobicContact CB-CG 4.45Å; Q388-W536 HydrophobicContact CG-CB 3.97Å; L390-W536 HydrophobicContact CB-CD2 3.95Å; L390-W536 HydrophobicContact CB-CE3 3.54Å; L390-W536 HydrophobicContact CB-CH2 4.04Å; L390-W536 HydrophobicContact CB-CZ2 4.38Å; L390-W536 HydrophobicContact CB-CZ3 3.6Å; L390-W536 HydrophobicContact CD2-CH2 4.45Å; L390-W536 HydrophobicContact CD2-CZ2 4.14Å; L531-W536 HydrophobicContact CB-CZ2 4.11Å; L531-W536 PolarHBondContact O-NE1 2.62Å; A534-W536 VanDerWaalsContact O-CD1 3.23Å; A534-W536 PolarHBondContact O-N 3.35Å; W536-F548 HydrophobicContact CH2-CB 3.59Å; W536-F548 HydrophobicContact CZ3-CB 3.98Å; W536-F548 WeakPolarHBondContact CZ3-O 3.49Å; W536-L550 HydrophobicContact CD2-CB 4.3Å; W536-L550 HydrophobicContact CD2-CD2 4.14Å; W536-L550 HydrophobicContact CE3-CB 3.82Å; W536-L550 HydrophobicContact CE3-CD2 4.47Å; W536-L550 HydrophobicContact CH2-CB 3.66Å; W536-L550 HydrophobicContact CZ2-CB 4.18Å; W536-L550 HydrophobicContact CZ2-CD2 4.36Å; W536-L550 HydrophobicContact CZ3-CB 3.47Å; W536-L550 VanDerWaalsContact CZ3-CB 3.47Å
537	M	95.3	Very high	93.4	Very high	97 Å²	97	56.6 Å²	56.6	48%	0.478	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	152.7	176.6	-60.6	-173.1	-76.1	0	0	110.4	Q388 H389 P535	Q388-M537 CarbonylContact C-O 3.39Å; Q388-M537 VanDerWaalsContact CA-O 3.23Å; Q388-M537 WeakPolarHBondContact CA-O 3.17Å; H389-M537 PolarHBondContact N-O 3.02Å; H389-M537 PolarHBondContact O-N 2.81Å; P535-M537 PolarHBondContact O-N 2.91Å
538	S	94.1	Very high	93.7	Very high	102 Å²	102	55.9 Å²	55.9	71%	0.713	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.2	147.4	166	-59	0	0	0	0	110.3	P540	S538-P540 WeakPolarHBondContact O-CD 3.45Å
539	L	91.3	Very high	93.8	Very high	50 Å²	50	55.9 Å²	55.9	26%	0.262	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-54.9	122.6	-178.2	-74.4	-179	0	0	0	112.4	M386 Y387 H389 F549 Y617	M386-L539 VanDerWaalsContact C-CD1 3.45Å; M386-L539 HydrophobicContact CB-CD1 4.07Å; M386-L539 HydrophobicContact CB-CD2 4.45Å; M386-L539 WeakPolarHBondContact O-CD1 3.34Å; Y387-L539 PolarHBondContact O-N 2.96Å; H389-L539 HydrophobicContact CB-CD2 3.89Å; L539-F549 HydrophobicContact CD2-CD1 3.94Å; L539-F549 HydrophobicContact CD2-CE1 4.32Å; L539-Y617 HydrophobicContact CB-CE2 4.37Å; L539-Y617 HydrophobicContact CD1-CD1 4.28Å; L539-Y617 HydrophobicContact CD1-CD2 3.8Å; L539-Y617 HydrophobicContact CD1-CE2 4.28Å; L539-Y617 HydrophobicContact CD1-CG 3.77Å; L539-Y617 HydrophobicContact CD2-CD1 4.18Å; L539-Y617 HydrophobicContact CD2-CE1 4.16Å; L539-Y617 HydrophobicContact CD2-CG 4.48Å
540	P	88	Confident	94	Very high	45 Å²	45	52.9 Å²	52.9	29%	0.292	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-77.3	161.9	173.1	33.4	-36.1	0	0	0	111	S538 V542 P543 Y617	S538-P540 WeakPolarHBondContact O-CD 3.45Å; P540-V542 VanDerWaalsContact C-N 3.27Å; P540-V542 PolarHBondContact O-N 3.06Å; P540-P543 VanDerWaalsContact CG-CA 3.49Å; P540-P543 HydrophobicContact CG-CB 3.9Å; P540-Y617 WeakPolarHBondContact O-CE2 3.31Å; P540-Y617 PolarHBondContact O-OH 3.07Å
541	H	84.6	Confident	94.1	Very high	183 Å²	183	51.6 Å²	51.6	85%	0.847	28%	0.283	S	S	*	.	S	Bend	trans	-64.7	-34.4	171.3	-175	-63.8	0	0	0	111.8
542	V	88.2	Confident	94.1	Very high	116 Å²	116	58.7 Å²	58.7	70%	0.703	31%	0.31	S	S	*	.	S	Bend	trans	-127.8	109.1	174.2	-176.4	0	0	0	0	107	P540	P540-V542 VanDerWaalsContact C-N 3.27Å; P540-V542 PolarHBondContact O-N 3.06Å
543	P	92.3	Very high	94.3	Very high	18 Å²	18	55.1 Å²	55.1	12%	0.117	29%	0.29	C	S	.	.			trans	-79.9	154.1	-179	34.9	-31.6	0	0	0	110.3	P540 F545 F549 Y617	P540-P543 VanDerWaalsContact CG-CA 3.49Å; P540-P543 HydrophobicContact CG-CB 3.9Å; P543-F545 HydrophobicContact CB-CZ 4.47Å; P543-F545 HydrophobicContact CG-CD2 4.45Å; P543-F545 HydrophobicContact CG-CE1 4.17Å; P543-F545 HydrophobicContact CG-CE2 3.59Å; P543-F545 HydrophobicContact CG-CZ 3.43Å; P543-F545 VanDerWaalsContact CG-CZ 3.43Å; P543-F549 HydrophobicContact CB-CE1 3.86Å; P543-F549 HydrophobicContact CB-CZ 3.8Å; P543-F549 HydrophobicContact CG-CE1 4.19Å; P543-F549 HydrophobicContact CG-CZ 3.98Å; P543-Y617 HydrophobicContact CB-CE1 4.3Å; P543-Y617 WeakPolarHBondContact CB-OH 3.37Å; P543-Y617 WeakPolarHBondContact CD-OH 3.18Å; P543-Y617 HydrophobicContact CG-CE1 3.89Å; P543-Y617 WeakPolarHBondContact CG-OH 3.38Å
544	S	93.3	Very high	94.4	Very high	50 Å²	50	51.6 Å²	51.6	35%	0.35	27%	0.273	S	S	.	.			trans	-81	137.1	168.5	67.7	0	0	0	0	109.7	H389 S391	H389-S544 PolarHBondContact CE1-OG 3.33Å; H389-S544 VanDerWaalsContact CE1-OG 3.23Å; H389-S544 PolarHBondContact NE2-O 3.34Å; S391-S544 WeakPolarHBondContact CB-OG 3.18Å
545	F	96.6	Very high	94.3	Very high	48 Å²	48	51.1 Å²	51.1	21%	0.211	27%	0.269	C	S	.	.	S	Bend	trans	-117.3	146.9	175.5	-63.6	-78.1	0	0	0	111.2	W393 P543 F549 E611 E612 Q613 A615	W393-F545 VanDerWaalsContact CH2-O 3.25Å; W393-F545 WeakPolarHBondContact CH2-O 3.15Å; W393-F545 WeakPolarHBondContact CZ3-O 3.3Å; P543-F545 HydrophobicContact CB-CZ 4.47Å; P543-F545 HydrophobicContact CG-CD2 4.45Å; P543-F545 HydrophobicContact CG-CE1 4.17Å; P543-F545 HydrophobicContact CG-CE2 3.59Å; P543-F545 HydrophobicContact CG-CZ 3.43Å; P543-F545 VanDerWaalsContact CG-CZ 3.43Å; F545-F549 HydrophobicContact CD1-CE2 4.41Å; F545-F549 HydrophobicContact CD1-CZ 4.45Å; F545-F549 AromaticContact CE1-CE2 3.9Å; F545-F549 HydrophobicContact CE1-CE2 3.9Å; F545-F549 AromaticContact CE1-CZ 3.76Å; F545-F549 HydrophobicContact CE1-CZ 3.76Å; F545-F549 HydrophobicContact CZ-CZ 4.34Å; F545-E611 HydrophobicContact CD1-CG 4.07Å; F545-E611 HydrophobicContact CE1-CG 3.72Å; F545-E612 WeakPolarHBondContact CB-O 3.26Å; F545-Q613 WeakPolarHBondContact CD2-O 3.41Å; F545-Q613 WeakPolarHBondContact CE2-O 3.5Å; F545-A615 HydrophobicContact CE1-CB 3.96Å; F545-A615 HydrophobicContact CZ-CB 4.01Å
546	P	98	Very high	94	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.272	C	S	.	.	S	Bend	cis	-71.1	155.9	-4.4	-22.2	38.6	0	0	0	111.8	L392 L450 F452 L482 F610 E611	L392-P546 HydrophobicContact CB-CB 4.36Å; L392-P546 VanDerWaalsContact CB-O 3.25Å; L392-P546 WeakPolarHBondContact CB-O 3.41Å; L392-P546 HydrophobicContact CD2-CB 4.23Å; L392-P546 HydrophobicContact CD2-CG 4.3Å; L392-P546 PolarHBondContact N-O 2.9Å; L450-P546 HydrophobicContact CD1-CG 3.92Å; F452-P546 VanDerWaalsContact CZ-CD 3.46Å; F452-P546 HydrophobicContact CZ-CG 3.87Å; L482-P546 HydrophobicContact CD2-CB 4.11Å; L482-P546 HydrophobicContact CD2-CG 3.64Å; P546-F610 HydrophobicContact CB-CE2 4.01Å; P546-F610 HydrophobicContact CB-CZ 3.73Å; P546-E611 VanDerWaalsContact CA-O 3.31Å; P546-E611 WeakPolarHBondContact CA-O 3.32Å
547	G	97.5	Very high	93.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164	164.4	-176.4	0	0	0	0	0	113.7	L390 E611	L390-G547 CarbonylContact O-C 3.53Å; L390-G547 WeakPolarHBondContact O-CA 3.17Å; G547-E611 PolarHBondContact N-O 2.86Å; G547-E611 PolarHBondContact O-N 2.92Å
548	F	98.3	Very high	93.5	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	140	174.5	-58.7	-96.3	0	0	0	110	H389 L390 A395 M523 F527 I528 L531 W536 I608 V609 F610	H389-F548 WeakPolarHBondContact CA-O 3.41Å; L390-F548 HydrophobicContact CB-CB 4.34Å; L390-F548 HydrophobicContact CD2-CD2 4.5Å; L390-F548 PolarHBondContact N-O 2.86Å; L390-F548 PolarHBondContact O-N 3.04Å; A395-F548 HydrophobicContact CB-CD2 4.03Å; A395-F548 HydrophobicContact CB-CE2 3.69Å; M523-F548 HydrophobicContact CE-CE1 4.45Å; M523-F548 HydrophobicContact CE-CZ 4.04Å; M523-F548 HydrophobicContact SD-CE1 4.11Å; M523-F548 HydrophobicContact SD-CZ 3.99Å; F527-F548 HydrophobicContact CE1-CE1 4.38Å; F527-F548 AromaticContact CE1-CZ 3.85Å; F527-F548 HydrophobicContact CE1-CZ 3.85Å; F527-F548 HydrophobicContact CZ-CZ 4.25Å; I528-F548 HydrophobicContact CD1-CE1 4.15Å; L531-F548 HydrophobicContact CD1-CD1 3.82Å; L531-F548 HydrophobicContact CD1-CD2 4.22Å; L531-F548 HydrophobicContact CD1-CE1 3.82Å; L531-F548 HydrophobicContact CD1-CE2 4.23Å; L531-F548 HydrophobicContact CD1-CG 4.03Å; L531-F548 HydrophobicContact CD1-CZ 4.04Å; W536-F548 HydrophobicContact CH2-CB 3.59Å; W536-F548 HydrophobicContact CZ3-CB 3.98Å; W536-F548 WeakPolarHBondContact CZ3-O 3.49Å; F548-I608 HydrophobicContact CB-CG2 4.42Å; F548-I608 HydrophobicContact CD1-CG2 4.03Å; F548-V609 CarbonylContact C-O 3.27Å; F548-V609 VanDerWaalsContact CA-O 3.31Å; F548-V609 WeakPolarHBondContact CA-O 3.5Å; F548-F610 HydrophobicContact CD1-CB 3.93Å; F548-F610 AromaticContact CD1-CD2 3.88Å; F548-F610 HydrophobicContact CD1-CD2 3.88Å; F548-F610 HydrophobicContact CD1-CG 4.38Å; F548-F610 HydrophobicContact CD2-CD2 4.04Å; F548-F610 HydrophobicContact CE1-CB 3.83Å; F548-F610 AromaticContact CE1-CD2 3.55Å; F548-F610 HydrophobicContact CE1-CD2 3.55Å; F548-F610 HydrophobicContact CE1-CE2 4.5Å; F548-F610 HydrophobicContact CE1-CG 4.02Å; F548-F610 AromaticContact CE2-CD2 3.72Å; F548-F610 HydrophobicContact CE2-CD2 3.72Å; F548-F610 AromaticContact CE2-CE2 3.99Å; F548-F610 HydrophobicContact CE2-CE2 3.99Å; F548-F610 HydrophobicContact CG-CD2 4.11Å; F548-F610 AromaticContact CZ-CD2 3.45Å; F548-F610 HydrophobicContact CZ-CD2 3.45Å; F548-F610 VanDerWaalsContact CZ-CD2 3.45Å; F548-F610 AromaticContact CZ-CE2 3.97Å; F548-F610 HydrophobicContact CZ-CE2 3.97Å; F548-F610 HydrophobicContact CZ-CG 4.27Å
549	F	98.2	Very high	93.5	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	123.9	176.5	-64.7	-86.8	0	0	0	108.6	M386 Q388 H389 L539 P543 F545 W569 I608 V609 E611 A615 Y617	M386-F549 HydrophobicContact CB-CB 4.39Å; M386-F549 HydrophobicContact CG-CB 4.01Å; M386-F549 HydrophobicContact SD-CB 4.12Å; Q388-F549 WeakPolarHBondContact O-CA 3.15Å; H389-F549 HydrophobicContact CB-CD1 4.35Å; H389-F549 HydrophobicContact CB-CE1 4.25Å; H389-F549 AromaticContact CD2-CE1 3.47Å; H389-F549 VanDerWaalsContact CD2-CE1 3.47Å; H389-F549 WeakPolarHBondContact CD2-CE1 3.29Å; H389-F549 AromaticContact CD2-CZ 3.58Å; L539-F549 HydrophobicContact CD2-CD1 3.94Å; L539-F549 HydrophobicContact CD2-CE1 4.32Å; P543-F549 HydrophobicContact CB-CE1 3.86Å; P543-F549 HydrophobicContact CB-CZ 3.8Å; P543-F549 HydrophobicContact CG-CE1 4.19Å; P543-F549 HydrophobicContact CG-CZ 3.98Å; F545-F549 HydrophobicContact CD1-CE2 4.41Å; F545-F549 HydrophobicContact CD1-CZ 4.45Å; F545-F549 AromaticContact CE1-CE2 3.9Å; F545-F549 HydrophobicContact CE1-CE2 3.9Å; F545-F549 AromaticContact CE1-CZ 3.76Å; F545-F549 HydrophobicContact CE1-CZ 3.76Å; F545-F549 HydrophobicContact CZ-CZ 4.34Å; F549-W569 HydrophobicContact CB-CH2 3.85Å; F549-W569 HydrophobicContact CB-CZ3 4.3Å; F549-W569 HydrophobicContact CD2-CH2 4.06Å; F549-W569 AromaticContact CD2-CZ3 3.74Å; F549-W569 HydrophobicContact CD2-CZ3 3.74Å; F549-W569 HydrophobicContact CE2-CZ3 4.37Å; F549-W569 AromaticContact CG-CH2 3.91Å; F549-W569 HydrophobicContact CG-CH2 3.91Å; F549-W569 HydrophobicContact CG-CZ3 4.09Å; F549-I608 CarbonylContact O-C 3.22Å; F549-I608 VanDerWaalsContact O-CA 3.27Å; F549-I608 WeakPolarHBondContact O-CA 3.04Å; F549-V609 PolarHBondContact N-O 2.8Å; F549-V609 PolarHBondContact O-N 3.5Å; F549-E611 HydrophobicContact CD2-CB 4.13Å; F549-E611 HydrophobicContact CE2-CB 3.92Å; F549-E611 HydrophobicContact CE2-CG 4.44Å; F549-A615 HydrophobicContact CE1-CB 4.33Å; F549-A615 HydrophobicContact CE2-CB 4.05Å; F549-A615 HydrophobicContact CZ-CB 3.91Å; F549-Y617 AromaticContact CD1-CD1 3.98Å; F549-Y617 HydrophobicContact CD1-CD1 3.98Å; F549-Y617 AromaticContact CD1-CE1 3.95Å; F549-Y617 HydrophobicContact CD1-CE1 3.95Å; F549-Y617 AromaticContact CE1-CD1 3.88Å; F549-Y617 HydrophobicContact CE1-CD1 3.88Å; F549-Y617 AromaticContact CE1-CE1 3.38Å; F549-Y617 HydrophobicContact CE1-CE1 3.38Å; F549-Y617 HydrophobicContact CZ-CE1 4.22Å
550	L	97.7	Very high	93.7	Very high	8 Å²	8	56.4 Å²	56.4	4%	0.042	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.4	-179.3	170.8	62.7	0	0	0	109.8	Y387 Q388 W536 Q606 I608	Y387-L550 HydrophobicContact CE2-CD2 4.43Å; Y387-L550 HydrophobicContact CE2-CG 4.33Å; Y387-L550 PolarHBondContact N-O 2.9Å; Q388-L550 HydrophobicContact CB-CB 4.02Å; Q388-L550 HydrophobicContact CB-CD2 4.41Å; Q388-L550 HydrophobicContact CB-CG 4.49Å; Q388-L550 PolarHBondContact N-O 3.4Å; Q388-L550 PolarHBondContact O-N 2.88Å; W536-L550 HydrophobicContact CD2-CB 4.3Å; W536-L550 HydrophobicContact CD2-CD2 4.14Å; W536-L550 HydrophobicContact CE3-CB 3.82Å; W536-L550 HydrophobicContact CE3-CD2 4.47Å; W536-L550 HydrophobicContact CH2-CB 3.66Å; W536-L550 HydrophobicContact CZ2-CB 4.18Å; W536-L550 HydrophobicContact CZ2-CD2 4.36Å; W536-L550 HydrophobicContact CZ3-CB 3.47Å; W536-L550 VanDerWaalsContact CZ3-CB 3.47Å; L550-Q606 HydrophobicContact CD1-CG 3.54Å; L550-I608 HydrophobicContact CD1-CD1 4.37Å; L550-I608 HydrophobicContact CD1-CG1 3.73Å
551	G	96.6	Very high	94.2	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	-178.9	177.1	0	0	0	0	0	112	I385 M386 Y387 V607	I385-G551 WeakPolarHBondContact O-CA 3.25Å; M386-G551 PolarHBondContact SD-N 3.42Å; Y387-G551 VanDerWaalsContact CE1-C 3.49Å; Y387-G551 VanDerWaalsContact CE1-CA 3.47Å; G551-V607 PolarHBondContact N-O 3.26Å; G551-V607 PolarHBondContact O-N 2.7Å
552	R	95.9	Very high	94.9	Very high	149 Å²	149	45.7 Å²	45.7	56%	0.562	22%	0.224	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-137.5	144	175.3	-75.9	168.1	-168	-169	3.8	109.2	A384 Y387 V604 N605	A384-R552 WeakPolarHBondContact CA-O 3.48Å; Y387-R552 HydrophobicContact CE1-CB 4.19Å; Y387-R552 HydrophobicContact CE1-CG 3.77Å; Y387-R552 PolarHBondContact OH-NE 2.63Å; R552-V604 HydrophobicContact CB-CG1 4.29Å; R552-V604 HydrophobicContact CG-CG1 3.9Å; R552-N605 VanDerWaalsContact CA-O 3.32Å; R552-N605 WeakPolarHBondContact CA-O 3.22Å
553	M	95.2	Very high	95.4	Very high	5 Å²	5	40.1 Å²	40.1	3%	0.025	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	155.5	164.1	69.3	178.7	-67.8	0	0	109.4	Y381 A384 T555 L595 L600 N605 V607 F621	Y381-M553 HydrophobicContact CD1-CE 4.5Å; Y381-M553 HydrophobicContact CD2-CE 3.68Å; Y381-M553 HydrophobicContact CE2-CE 4.22Å; Y381-M553 HydrophobicContact CG-CE 3.81Å; A384-M553 HydrophobicContact CB-CB 4.06Å; M553-T555 HydrophobicContact CE-CG2 4.02Å; M553-L595 HydrophobicContact SD-CD2 4.27Å; M553-L600 HydrophobicContact CE-CD1 4.46Å; M553-L600 HydrophobicContact CE-CD2 3.95Å; M553-L600 HydrophobicContact SD-CD2 3.65Å; M553-N605 HydrophobicContact CG-CB 3.56Å; M553-N605 PolarHBondContact N-O 2.94Å; M553-N605 PolarHBondContact O-N 2.82Å; M553-N605 HydrophobicContact SD-CB 4.31Å; M553-V607 HydrophobicContact CB-CG2 4.18Å; M553-V607 HydrophobicContact CG-CG2 3.94Å; M553-V607 HydrophobicContact SD-CG2 4.29Å; M553-F621 HydrophobicContact CB-CE2 3.96Å; M553-F621 HydrophobicContact CB-CZ 3.94Å; M553-F621 HydrophobicContact CE-CD1 4.24Å; M553-F621 HydrophobicContact CE-CD2 4.41Å; M553-F621 HydrophobicContact CE-CE1 3.76Å; M553-F621 HydrophobicContact CE-CE2 3.96Å; M553-F621 HydrophobicContact CE-CZ 3.62Å; M553-F621 HydrophobicContact CG-CZ 4.24Å; M553-F621 HydrophobicContact SD-CE1 3.68Å; M553-F621 HydrophobicContact SD-CE2 4.16Å; M553-F621 HydrophobicContact SD-CZ 3.37Å; M553-F621 WeakPolarHBondContact SD-CZ 3.4Å
554	F	95.1	Very high	95.7	Very high	87 Å²	87	39.3 Å²	39.3	38%	0.382	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	132	178.7	-165.6	-86.6	0	0	0	110.4	Y556 G603 V604	F554-Y556 AromaticContact CD1-CD1 3.92Å; F554-Y556 HydrophobicContact CD1-CD1 3.92Å; F554-Y556 AromaticContact CD1-CD2 3.98Å; F554-Y556 HydrophobicContact CD1-CD2 3.98Å; F554-Y556 AromaticContact CD1-CE1 3.61Å; F554-Y556 HydrophobicContact CD1-CE1 3.61Å; F554-Y556 AromaticContact CD1-CE2 3.69Å; F554-Y556 HydrophobicContact CD1-CE2 3.69Å; F554-Y556 HydrophobicContact CD1-CG 4.08Å; F554-Y556 AromaticContact CD1-CZ 3.48Å; F554-Y556 VanDerWaalsContact CD1-CZ 3.48Å; F554-Y556 AromaticContact CE1-CD1 3.42Å; F554-Y556 HydrophobicContact CE1-CD1 3.42Å; F554-Y556 VanDerWaalsContact CE1-CD1 3.42Å; F554-Y556 HydrophobicContact CE1-CD2 4.3Å; F554-Y556 AromaticContact CE1-CE1 3.27Å; F554-Y556 HydrophobicContact CE1-CE1 3.27Å; F554-Y556 HydrophobicContact CE1-CE2 4.2Å; F554-Y556 AromaticContact CE1-CG 3.93Å; F554-Y556 HydrophobicContact CE1-CG 3.93Å; F554-Y556 AromaticContact CE1-CZ 3.7Å; F554-Y556 HydrophobicContact CZ-CE1 4.32Å; F554-G603 WeakPolarHBondContact CA-O 3.47Å; F554-V604 HydrophobicContact CD2-CG2 3.93Å; F554-V604 HydrophobicContact CE2-CG2 4.15Å
555	T	94.4	Very high	95.9	Very high	1 Å²	1	39 Å²	39	1%	0.006	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	134	176.1	62.4	0	0	0	0	109.4	Y381 M553 L600 N601 G603 N605	Y381-T555 HydrophobicContact CD1-CG2 4.06Å; Y381-T555 HydrophobicContact CE1-CG2 3.65Å; M553-T555 HydrophobicContact CE-CG2 4.02Å; T555-L600 HydrophobicContact CG2-CB 4.44Å; T555-L600 HydrophobicContact CG2-CD1 4.17Å; T555-L600 HydrophobicContact CG2-CD2 4.25Å; T555-N601 PolarHBondContact OG1-O 3.43Å; T555-G603 PolarHBondContact N-O 3.23Å; T555-G603 WeakPolarHBondContact O-CA 3.23Å; T555-G603 PolarHBondContact O-N 2.88Å; T555-G603 PolarHBondContact OG1-N 2.82Å; T555-G603 VanDerWaalsContact OG1-N 3.14Å; T555-G603 PolarHBondContact OG1-O 2.94Å; T555-N605 PolarHBondContact OG1-ND2 3.46Å
556	Y	88.1	Confident	95.9	Very high	157 Å²	157	37.5 Å²	37.5	62%	0.616	17%	0.172	S	C	*	.			trans	-97.2	127.6	177.6	-63	-86.2	0	0	0	110	F554	F554-Y556 AromaticContact CD1-CD1 3.92Å; F554-Y556 HydrophobicContact CD1-CD1 3.92Å; F554-Y556 AromaticContact CD1-CD2 3.98Å; F554-Y556 HydrophobicContact CD1-CD2 3.98Å; F554-Y556 AromaticContact CD1-CE1 3.61Å; F554-Y556 HydrophobicContact CD1-CE1 3.61Å; F554-Y556 AromaticContact CD1-CE2 3.69Å; F554-Y556 HydrophobicContact CD1-CE2 3.69Å; F554-Y556 HydrophobicContact CD1-CG 4.08Å; F554-Y556 AromaticContact CD1-CZ 3.48Å; F554-Y556 VanDerWaalsContact CD1-CZ 3.48Å; F554-Y556 AromaticContact CE1-CD1 3.42Å; F554-Y556 HydrophobicContact CE1-CD1 3.42Å; F554-Y556 VanDerWaalsContact CE1-CD1 3.42Å; F554-Y556 HydrophobicContact CE1-CD2 4.3Å; F554-Y556 AromaticContact CE1-CE1 3.27Å; F554-Y556 HydrophobicContact CE1-CE1 3.27Å; F554-Y556 HydrophobicContact CE1-CE2 4.2Å; F554-Y556 AromaticContact CE1-CG 3.93Å; F554-Y556 HydrophobicContact CE1-CG 3.93Å; F554-Y556 AromaticContact CE1-CZ 3.7Å; F554-Y556 HydrophobicContact CZ-CE1 4.32Å
557	G	89.5	Confident	95.7	Very high	48 Å²	48	40.4 Å²	40.4	50%	0.495	19%	0.191	S	C	.	.	S	Bend	trans	72.7	-139.2	177.2	0	0	0	0	0	113.4	P559 S602	G557-P559 WeakPolarHBondContact O-CD 3.25Å; G557-S602 VanDerWaalsContact O-CB 3.3Å; G557-S602 WeakPolarHBondContact O-CB 3.21Å; G557-S602 PolarHBondContact O-OG 3.47Å
558	Y	90.4	Very high	95.5	Very high	220 Å²	220	42.5 Å²	42.5	86%	0.863	21%	0.212	S	C	*	.	S	Bend	trans	-84.3	120.1	178.4	-77.5	-78.3	0	0	0	109.9	S560	Y558-S560 PolarHBondContact O-N 3.26Å
559	P	94.8	Very high	95.5	Very high	30 Å²	30	42.8 Å²	42.8	20%	0.195	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-61.6	136	-177	-24.3	34.5	0	0	0	113.1	G557 L600 N601	G557-P559 WeakPolarHBondContact O-CD 3.25Å; P559-L600 HydrophobicContact CB-CB 3.45Å; P559-L600 VanDerWaalsContact CB-CB 3.45Å; P559-L600 HydrophobicContact CB-CD1 4.07Å; P559-L600 HydrophobicContact CB-CG 4.41Å; P559-L600 HydrophobicContact CG-CB 3.83Å; P559-N601 WeakPolarHBondContact CG-O 3.43Å
560	S	95.9	Very high	95.4	Very high	19 Å²	19	43.1 Å²	43.1	13%	0.133	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-103.9	165	173.6	-61.3	0	0	0	0	111.2	W377 Y381 Y558	W377-S560 WeakPolarHBondContact O-CB 3.31Å; Y381-S560 PolarHBondContact OH-N 3.12Å; Y381-S560 PolarHBondContact OH-O 2.92Å; Y558-S560 PolarHBondContact O-N 3.26Å
561	D	98.1	Very high	95.4	Very high	3 Å²	3	43 Å²	43	2%	0.016	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-63.5	150.4	174.8	-77.8	-2.3	0	0	0	111.2	Y75 K378 E379 Y594 P596 G597	Y75-D561 WeakPolarHBondContact CE2-OD1 3.27Å; Y75-D561 PolarHBondContact OH-OD1 3.28Å; K378-D561 CarbonylContact C-O 3.57Å; K378-D561 WeakPolarHBondContact CA-O 2.97Å; K378-D561 HydrophobicContact CG-CB 3.85Å; E379-D561 PolarHBondContact N-O 2.99Å; D561-Y594 HydrophobicContact CB-CE2 3.95Å; D561-Y594 VanDerWaalsContact CG-OH 3.22Å; D561-Y594 PolarHBondContact OD2-OH 2.85Å; D561-P596 WeakPolarHBondContact OD1-CA 3.2Å; D561-G597 PolarHBondContact OD1-N 2.95Å
562	T	98.5	Very high	95.5	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	175.1	175.9	-164.7	0	0	0	0	110.8	E379 Y381 L595 F621 E622	E379-T562 VanDerWaalsContact O-CB 3.24Å; E379-T562 WeakPolarHBondContact O-CB 3.25Å; E379-T562 PolarHBondContact O-OG1 2.78Å; Y381-T562 HydrophobicContact CD2-CG2 3.77Å; Y381-T562 HydrophobicContact CE2-CG2 3.75Å; T562-L595 HydrophobicContact CG2-CB 3.76Å; T562-L595 HydrophobicContact CG2-CD2 3.85Å; T562-L595 HydrophobicContact CG2-CG 4.01Å; T562-L595 PolarHBondContact N-O 2.53Å; T562-L595 PolarHBondContact O-N 3.19Å; T562-F621 HydrophobicContact CG2-CD1 3.81Å; T562-E622 PolarHBondContact OG1-O 2.79Å
563	F	98.7	Very high	95.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.9	175.9	-67.3	-85	0	0	0	110.6	K378 T592 L593 Y594 F621 E622 E623 P625	K378-F563 HydrophobicContact CD-CD2 4.5Å; K378-F563 HydrophobicContact CD-CE2 3.72Å; F563-T592 HydrophobicContact CB-CG2 4.33Å; F563-L593 CarbonylContact C-O 3.53Å; F563-L593 WeakPolarHBondContact CA-O 3.41Å; F563-Y594 HydrophobicContact CD1-CD2 4.28Å; F563-Y594 AromaticContact CE1-CD2 3.74Å; F563-Y594 HydrophobicContact CE1-CD2 3.74Å; F563-Y594 HydrophobicContact CE1-CG 4.13Å; F563-Y594 AromaticContact CZ-CD2 3.96Å; F563-Y594 HydrophobicContact CZ-CD2 3.96Å; F563-F621 CarbonylContact O-C 3.56Å; F563-F621 VanDerWaalsContact O-CA 3.26Å; F563-F621 WeakPolarHBondContact O-CA 3.27Å; F563-E622 HydrophobicContact CB-CB 4.49Å; F563-E622 WeakPolarHBondContact CB-O 2.98Å; F563-E622 PolarHBondContact N-O 2.8Å; F563-E622 PolarHBondContact O-N 3.34Å; F563-E623 WeakPolarHBondContact CD2-O 3.35Å; F563-E623 WeakPolarHBondContact CE2-O 3.07Å; F563-P625 HydrophobicContact CD1-CB 3.88Å; F563-P625 HydrophobicContact CE1-CB 3.6Å; F563-P625 HydrophobicContact CE1-CG 4.21Å; F563-P625 HydrophobicContact CE2-CB 4.42Å; F563-P625 HydrophobicContact CE2-CG 4.44Å; F563-P625 HydrophobicContact CG-CB 4.43Å; F563-P625 HydrophobicContact CZ-CB 3.88Å; F563-P625 HydrophobicContact CZ-CG 4Å
564	V	98.5	Very high	95.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	126.2	-179.5	-169.6	0	0	0	0	109.6	L566 L581 T592 L593 L595 I619 F621	V564-L566 HydrophobicContact CG1-CD1 3.95Å; V564-L581 HydrophobicContact CB-CD2 4.37Å; V564-L581 HydrophobicContact CG2-CD2 3.68Å; V564-T592 CarbonylContact O-C 3.53Å; V564-T592 WeakPolarHBondContact O-CA 3.28Å; V564-L593 HydrophobicContact CB-CB 4.29Å; V564-L593 PolarHBondContact N-O 2.94Å; V564-L593 PolarHBondContact O-N 2.84Å; V564-L595 HydrophobicContact CG2-CB 3.83Å; V564-L595 HydrophobicContact CG2-CD2 3.88Å; V564-I619 HydrophobicContact CG1-CG2 3.24Å; V564-F621 HydrophobicContact CG1-CE1 4.37Å; V564-F621 HydrophobicContact CG2-CD1 4.16Å; V564-F621 HydrophobicContact CG2-CE1 3.92Å
565	K	97.6	Very high	95.9	Very high	45 Å²	45	31.6 Å²	31.6	20%	0.196	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	137	175.9	-164.1	171.2	-167.7	156.4	0	110.7	P567 T592 T620 E622 D626	K565-P567 VanDerWaalsContact C-CD 3.43Å; K565-P567 VanDerWaalsContact O-CD 3.32Å; K565-P567 WeakPolarHBondContact O-CD 3.48Å; K565-T592 HydrophobicContact CB-CG2 3.99Å; K565-T592 HydrophobicContact CD-CG2 4.16Å; K565-T592 HydrophobicContact CG-CG2 4.1Å; K565-T620 PolarHBondContact N-O 2.88Å; K565-T620 PolarHBondContact O-N 3.42Å; K565-T620 PolarHBondContact O-OG1 2.88Å; K565-E622 VanDerWaalsContact CD-CD 3.42Å; K565-E622 HydrophobicContact CD-CG 4.38Å; K565-E622 WeakPolarHBondContact CD-OE1 3.38Å; K565-E622 IonicContact NZ-OE1 3.43Å; K565-E622 PolarHBondContact NZ-OE1 3.13Å; K565-E622 IonicContact NZ-OE2 2.86Å; K565-E622 PolarHBondContact NZ-OE2 2.86Å; K565-E622 VanDerWaalsContact NZ-OE2 3.13Å; K565-D626 IonicContact NZ-OD2 2.81Å; K565-D626 PolarHBondContact NZ-OD2 2.83Å
566	L	96.6	Very high	96.1	Very high	16 Å²	16	31.6 Å²	31.6	8%	0.084	17%	0.17	C	C	.	.			trans	-122.6	65.7	-174.3	-60.7	96.4	0	0	0	110.3	V564 G568 W569 V574 H584 V609 I619	V564-L566 HydrophobicContact CG1-CD1 3.95Å; L566-G568 PolarHBondContact O-N 2.79Å; L566-W569 HydrophobicContact CB-CB 3.88Å; L566-W569 HydrophobicContact CB-CD2 4.49Å; L566-W569 HydrophobicContact CB-CG 3.76Å; L566-W569 HydrophobicContact CD2-CD2 4.14Å; L566-W569 HydrophobicContact CD2-CE3 4.46Å; L566-W569 HydrophobicContact CD2-CG 4.24Å; L566-W569 WeakPolarHBondContact O-CB 3.49Å; L566-W569 PolarHBondContact O-N 2.89Å; L566-V574 HydrophobicContact CD1-CG2 4Å; L566-V574 HydrophobicContact CD2-CG2 3.78Å; L566-H584 HydrophobicContact CD1-CB 4.24Å; L566-V609 HydrophobicContact CD2-CG1 4.13Å; L566-V609 HydrophobicContact CD2-CG2 4.08Å; L566-I619 HydrophobicContact CD2-CD1 4.18Å; L566-I619 HydrophobicContact CD2-CG1 4.07Å; L566-I619 HydrophobicContact CG-CG1 4.25Å; L566-I619 HydrophobicContact CG-CG2 4.3Å
567	P	94.2	Very high	96.4	Very high	60 Å²	60	26.2 Å²	26.2	39%	0.39	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	137.2	178.5	29.7	-34	0	0	0	110.2	K565 W569 D616	K565-P567 VanDerWaalsContact C-CD 3.43Å; K565-P567 VanDerWaalsContact O-CD 3.32Å; K565-P567 WeakPolarHBondContact O-CD 3.48Å; P567-W569 VanDerWaalsContact O-CD1 3.28Å; P567-W569 PolarHBondContact O-N 3.26Å; P567-D616 VanDerWaalsContact O-CB 3.28Å; P567-D616 WeakPolarHBondContact O-CB 3.35Å
568	G	94.2	Very high	96.6	Very high	44 Å²	44	24 Å²	24	45%	0.454	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	11.7	-178.1	0	0	0	0	0	114.7	L566 D616	L566-G568 PolarHBondContact O-N 2.79Å; G568-D616 PolarHBondContact O-N 2.96Å
569	W	96.6	Very high	96.9	Very high	7 Å²	7	16.8 Å²	16.8	3%	0.027	11%	0.105	C	C	.	.			trans	-100.4	148.5	168.6	-63.2	67.5	0	0	0	110.5	M386 F549 L566 P567 V609 E611 E614 A615 K618 I619	M386-W569 HydrophobicContact CG-CH2 4.03Å; M386-W569 HydrophobicContact CG-CZ2 4.03Å; F549-W569 HydrophobicContact CB-CH2 3.85Å; F549-W569 HydrophobicContact CB-CZ3 4.3Å; F549-W569 HydrophobicContact CD2-CH2 4.06Å; F549-W569 AromaticContact CD2-CZ3 3.74Å; F549-W569 HydrophobicContact CD2-CZ3 3.74Å; F549-W569 HydrophobicContact CE2-CZ3 4.37Å; F549-W569 AromaticContact CG-CH2 3.91Å; F549-W569 HydrophobicContact CG-CH2 3.91Å; F549-W569 HydrophobicContact CG-CZ3 4.09Å; L566-W569 HydrophobicContact CB-CB 3.88Å; L566-W569 HydrophobicContact CB-CD2 4.49Å; L566-W569 HydrophobicContact CB-CG 3.76Å; L566-W569 HydrophobicContact CD2-CD2 4.14Å; L566-W569 HydrophobicContact CD2-CE3 4.46Å; L566-W569 HydrophobicContact CD2-CG 4.24Å; L566-W569 WeakPolarHBondContact O-CB 3.49Å; L566-W569 PolarHBondContact O-N 2.89Å; P567-W569 VanDerWaalsContact O-CD1 3.28Å; P567-W569 PolarHBondContact O-N 3.26Å; W569-V609 HydrophobicContact CE3-CB 4.41Å; W569-V609 HydrophobicContact CE3-CG1 3.71Å; W569-V609 HydrophobicContact CH2-CB 3.91Å; W569-V609 HydrophobicContact CH2-CG1 4.12Å; W569-V609 HydrophobicContact CH2-CG2 4.18Å; W569-V609 HydrophobicContact CZ3-CB 3.63Å; W569-V609 HydrophobicContact CZ3-CG1 3.38Å; W569-V609 HydrophobicContact CZ3-CG2 4.26Å; W569-E611 HydrophobicContact CE3-CB 3.83Å; W569-E611 HydrophobicContact CE3-CG 3.95Å; W569-E611 HydrophobicContact CZ3-CB 3.87Å; W569-E611 HydrophobicContact CZ3-CG 4.35Å; W569-E614 WeakPolarHBondContact CA-O 3.34Å; W569-A615 HydrophobicContact CD2-CB 4.12Å; W569-A615 HydrophobicContact CE3-CB 3.8Å; W569-A615 HydrophobicContact CH2-CB 4.13Å; W569-A615 HydrophobicContact CZ2-CB 4.42Å; W569-A615 HydrophobicContact CZ3-CB 3.79Å; W569-K618 PolarHBondContact NE1-O 2.72Å; W569-I619 HydrophobicContact CZ2-CD1 4.49Å; W569-I619 HydrophobicContact CZ2-CG1 4.08Å
570	G	96.8	Very high	97	Very high	6 Å²	6	16.7 Å²	16.7	6%	0.062	10%	0.102	C	C	.	.			trans	-81.2	-86.5	-179.3	0	0	0	0	0	112.1	Y586 E611 E614	G570-Y586 WeakPolarHBondContact O-CD1 3.41Å; G570-Y586 PolarHBondContact O-N 2.83Å; G570-E611 PolarHBondContact N-OE2 3.43Å; G570-E614 PolarHBondContact N-O 3.03Å
571	K	98.1	Very high	97.1	Very high	5 Å²	5	15.9 Å²	15.9	2%	0.022	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	136	-173.6	-171.4	-170.7	168.9	-62.1	0	109.9	E484 H584 W585 E611 E612	E484-K571 IonicContact OE1-NZ 2.71Å; E484-K571 PolarHBondContact OE1-NZ 2.91Å; E484-K571 VanDerWaalsContact OE2-CE 3.22Å; E484-K571 WeakPolarHBondContact OE2-CE 3.43Å; E484-K571 IonicContact OE2-NZ 2.77Å; E484-K571 PolarHBondContact OE2-NZ 3.31Å; K571-H584 WeakPolarHBondContact CA-O 3.4Å; K571-H584 WeakPolarHBondContact CG-O 3.35Å; K571-W585 HydrophobicContact CB-CG 4.1Å; K571-W585 HydrophobicContact CD-CD2 3.62Å; K571-W585 HydrophobicContact CD-CE3 4.15Å; K571-W585 HydrophobicContact CD-CG 3.79Å; K571-W585 HydrophobicContact CD-CZ2 4.17Å; K571-W585 HydrophobicContact CG-CB 3.95Å; K571-W585 HydrophobicContact CG-CD2 3.99Å; K571-W585 HydrophobicContact CG-CG 3.58Å; K571-E611 PolarHBondContact N-OE1 2.99Å; K571-E611 VanDerWaalsContact N-OE1 3.08Å; K571-E611 PolarHBondContact N-OE2 3.22Å; K571-E612 IonicContact NZ-OE1 3.8Å; K571-E612 PolarHBondContact NZ-OE1 3.31Å; K571-E612 VanDerWaalsContact O-CB 3.28Å; K571-E612 WeakPolarHBondContact O-CB 3.02Å; K571-E612 VanDerWaalsContact O-CG 3.27Å; K571-E612 WeakPolarHBondContact O-CG 3.15Å; K571-E612 PolarHBondContact O-N 2.88Å
572	G	98	Very high	97.1	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	-160.2	-173	0	0	0	0	0	115	R583 H584 F610	G572-R583 WeakPolarHBondContact O-CA 3.26Å; G572-H584 VanDerWaalsContact CA-NE2 3.27Å; G572-H584 WeakPolarHBondContact CA-NE2 3.3Å; G572-H584 PolarHBondContact N-CE1 3.19Å; G572-H584 PolarHBondContact N-NE2 2.97Å; G572-H584 PolarHBondContact N-O 3.45Å; G572-H584 PolarHBondContact O-CD2 2.75Å; G572-H584 PolarHBondContact O-N 2.85Å; G572-F610 CarbonylContact C-O 3.48Å; G572-F610 WeakPolarHBondContact CA-O 3.49Å
573	V	98.5	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.4	-176.9	-173.6	0	0	0	0	109	F321 Y426 F575 N580 V609 F610	F321-V573 HydrophobicContact CE1-CG1 4.27Å; F321-V573 HydrophobicContact CE1-CG2 3.64Å; F321-V573 HydrophobicContact CZ-CG1 4.03Å; F321-V573 HydrophobicContact CZ-CG2 3.82Å; Y426-V573 HydrophobicContact CE2-CG2 4.22Å; V573-F575 HydrophobicContact CB-CE2 3.9Å; V573-F575 HydrophobicContact CB-CZ 4.13Å; V573-F575 HydrophobicContact CG1-CD2 4.39Å; V573-F575 HydrophobicContact CG1-CE1 4.19Å; V573-F575 HydrophobicContact CG1-CE2 3.63Å; V573-F575 HydrophobicContact CG1-CZ 3.5Å; V573-F575 VanDerWaalsContact CG1-CZ 3.5Å; V573-N580 WeakPolarHBondContact CG1-OD1 3.31Å; V573-V609 WeakPolarHBondContact O-CA 3.33Å; V573-F610 PolarHBondContact N-O 3.42Å; V573-F610 PolarHBondContact O-N 3.13Å
574	V	98.6	Very high	97.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	134	179.6	-177.8	0	0	0	0	110.5	L566 I576 L581 G582 L593 V609	L566-V574 HydrophobicContact CD1-CG2 4Å; L566-V574 HydrophobicContact CD2-CG2 3.78Å; V574-I576 HydrophobicContact CG1-CD1 4.17Å; V574-I576 HydrophobicContact CG1-CG1 4.39Å; V574-L581 HydrophobicContact CB-CB 4.29Å; V574-L581 HydrophobicContact CG1-CD2 4.36Å; V574-L581 WeakPolarHBondContact O-CB 3.15Å; V574-L581 PolarHBondContact O-N 3.08Å; V574-G582 PolarHBondContact N-O 3.36Å; V574-L593 HydrophobicContact CB-CD1 4.02Å; V574-L593 HydrophobicContact CG2-CD1 3.73Å; V574-V609 HydrophobicContact CG2-CG2 4.25Å
575	F	98.4	Very high	97.1	Very high	2 Å²	2	19 Å²	19	1%	0.009	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	131.5	174	-52.6	-97.2	0	0	0	110.4	M523 I528 V573 L579 N580 V607 I608 F610	M523-F575 HydrophobicContact CB-CE1 4.39Å; M523-F575 HydrophobicContact CB-CZ 4Å; I528-F575 HydrophobicContact CD1-CD1 4.19Å; I528-F575 HydrophobicContact CD1-CD2 4.26Å; I528-F575 HydrophobicContact CD1-CE1 3.8Å; I528-F575 HydrophobicContact CD1-CE2 3.9Å; I528-F575 HydrophobicContact CD1-CG 4.41Å; I528-F575 HydrophobicContact CD1-CZ 3.65Å; I528-F575 HydrophobicContact CG1-CD1 3.81Å; I528-F575 HydrophobicContact CG1-CE1 3.62Å; I528-F575 HydrophobicContact CG1-CG 4.37Å; I528-F575 HydrophobicContact CG1-CZ 4.04Å; I528-F575 HydrophobicContact CG2-CB 4.41Å; I528-F575 HydrophobicContact CG2-CD1 4.33Å; I528-F575 HydrophobicContact CG2-CG 4.29Å; V573-F575 HydrophobicContact CB-CE2 3.9Å; V573-F575 HydrophobicContact CB-CZ 4.13Å; V573-F575 HydrophobicContact CG1-CD2 4.39Å; V573-F575 HydrophobicContact CG1-CE1 4.19Å; V573-F575 HydrophobicContact CG1-CE2 3.63Å; V573-F575 HydrophobicContact CG1-CZ 3.5Å; V573-F575 VanDerWaalsContact CG1-CZ 3.5Å; F575-L579 CarbonylContact C-O 3.59Å; F575-L579 WeakPolarHBondContact CA-O 3.3Å; F575-N580 HydrophobicContact CD1-CB 3.73Å; F575-N580 HydrophobicContact CE1-CB 3.62Å; F575-V607 WeakPolarHBondContact O-CA 3.01Å; F575-I608 HydrophobicContact CB-CB 4.23Å; F575-I608 HydrophobicContact CD2-CB 4.5Å; F575-I608 HydrophobicContact CD2-CG2 4.28Å; F575-I608 PolarHBondContact N-O 3.5Å; F575-I608 PolarHBondContact O-N 3.38Å; F575-F610 HydrophobicContact CE2-CB 4.38Å
576	I	97.5	Very high	97	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	117.6	175.3	-55.9	-64.9	0	0	0	108	V574 G578 L579 L595 L600 Q606 V607	V574-I576 HydrophobicContact CG1-CD1 4.17Å; V574-I576 HydrophobicContact CG1-CG1 4.39Å; I576-G578 PolarHBondContact O-N 2.81Å; I576-L579 PolarHBondContact N-O 2.85Å; I576-L579 VanDerWaalsContact O-CB 3.31Å; I576-L579 WeakPolarHBondContact O-CB 3.25Å; I576-L579 PolarHBondContact O-N 2.63Å; I576-L595 HydrophobicContact CB-CD1 4.21Å; I576-L595 HydrophobicContact CD1-CD2 4.29Å; I576-L595 HydrophobicContact CG1-CD1 3.96Å; I576-L595 HydrophobicContact CG1-CD2 4.05Å; I576-L595 HydrophobicContact CG2-CD1 4.19Å; I576-L595 HydrophobicContact CG2-CD2 4.46Å; I576-L600 HydrophobicContact CG2-CD2 3.97Å; I576-Q606 WeakPolarHBondContact CA-O 3.4Å; I576-V607 HydrophobicContact CD1-CB 4.18Å; I576-V607 HydrophobicContact CD1-CG1 3.84Å; I576-V607 HydrophobicContact CD1-CG2 3.78Å
577	N	95.6	Very high	97	Very high	44 Å²	44	26.1 Å²	26.1	24%	0.235	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	41.4	-176.5	-54.6	-45.7	0	0	0	113.1	L579 F599 N601 N605 Q606	N577-L579 PolarHBondContact O-N 3Å; N577-F599 PolarHBondContact ND2-O 3.21Å; N577-N601 PolarHBondContact ND2-ND2 2.99Å; N577-N605 PolarHBondContact ND2-OD1 2.85Å; N577-N605 WeakPolarHBondContact OD1-CA 3.16Å; N577-Q606 PolarHBondContact N-O 3.03Å; N577-Q606 PolarHBondContact OD1-N 3.25Å
578	G	94.1	Very high	97.2	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.01	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.7	-7.9	-177.5	0	0	0	0	0	115.5	T525 I576	T525-G578 PolarHBondContact OG1-O 3.19Å; I576-G578 PolarHBondContact O-N 2.81Å
579	L	95.5	Very high	97.3	Very high	69 Å²	69	21.6 Å²	21.6	36%	0.361	10%	0.101	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.4	175.3	-60.7	173	0	0	0	110.4	F575 I576 N577 L581 F599	F575-L579 CarbonylContact C-O 3.59Å; F575-L579 WeakPolarHBondContact CA-O 3.3Å; I576-L579 PolarHBondContact N-O 2.85Å; I576-L579 VanDerWaalsContact O-CB 3.31Å; I576-L579 WeakPolarHBondContact O-CB 3.25Å; I576-L579 PolarHBondContact O-N 2.63Å; N577-L579 PolarHBondContact O-N 3Å; L579-L581 PolarHBondContact O-N 3.3Å; L579-F599 HydrophobicContact CD1-CB 3.78Å; L579-F599 HydrophobicContact CD1-CD1 3.77Å; L579-F599 HydrophobicContact CD1-CD2 4.07Å; L579-F599 HydrophobicContact CD1-CE1 4.37Å; L579-F599 HydrophobicContact CD1-CG 3.62Å
580	N	97.7	Very high	97.4	Very high	28 Å²	28	21.4 Å²	21.4	15%	0.15	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	109.4	176.9	-172.1	-15.5	0	0	0	110.5	G320 F321 V573 F575 G582	G320-N580 VanDerWaalsContact CA-CG 3.43Å; G320-N580 WeakPolarHBondContact CA-OD1 3.23Å; G320-N580 PolarHBondContact N-O 3.06Å; F321-N580 WeakPolarHBondContact CE2-ND2 3.46Å; V573-N580 WeakPolarHBondContact CG1-OD1 3.31Å; F575-N580 HydrophobicContact CD1-CB 3.73Å; F575-N580 HydrophobicContact CE1-CB 3.62Å; N580-G582 VanDerWaalsContact C-N 3.33Å; N580-G582 PolarHBondContact OD1-N 2.86Å
581	L	98.1	Very high	97.5	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-30.9	-179.3	-160.3	61.4	0	0	0	111.9	F319 V564 V574 L579 L593 Y594 L595 F599	F319-L581 HydrophobicContact CD1-CD1 4.27Å; F319-L581 HydrophobicContact CE1-CD1 4.09Å; V564-L581 HydrophobicContact CB-CD2 4.37Å; V564-L581 HydrophobicContact CG2-CD2 3.68Å; V574-L581 HydrophobicContact CB-CB 4.29Å; V574-L581 HydrophobicContact CG1-CD2 4.36Å; V574-L581 WeakPolarHBondContact O-CB 3.15Å; V574-L581 PolarHBondContact O-N 3.08Å; L579-L581 PolarHBondContact O-N 3.3Å; L581-L593 HydrophobicContact CD2-CB 3.64Å; L581-L593 HydrophobicContact CD2-CD1 4.26Å; L581-L593 HydrophobicContact CG-CB 4.12Å; L581-Y594 WeakPolarHBondContact CD1-O 3.36Å; L581-L595 HydrophobicContact CD1-CD1 4.03Å; L581-L595 HydrophobicContact CD2-CB 4.29Å; L581-F599 HydrophobicContact CD1-CD2 4.43Å
582	G	98.1	Very high	97.5	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.8	-171.6	-179.3	0	0	0	0	0	112.9	G320 V574 N580	G320-G582 WeakPolarHBondContact O-CA 3.43Å; V574-G582 PolarHBondContact N-O 3.36Å; N580-G582 VanDerWaalsContact C-N 3.33Å; N580-G582 PolarHBondContact OD1-N 2.86Å
583	R	98.6	Very high	97.5	Very high	5 Å²	5	24.7 Å²	24.7	2%	0.019	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	142.6	-174.5	-52.6	-177.8	-161.2	-109.8	1.8	111	W282 F321 T336 E484 N485 G572 L593	W282-R583 HydrophobicContact CZ2-CB 4.44Å; W282-R583 WeakPolarHBondContact CZ2-O 3.44Å; F321-R583 HydrophobicContact CD1-CG 4.25Å; F321-R583 VanDerWaalsContact CD1-CZ 3.44Å; F321-R583 HydrophobicContact CE1-CG 4.31Å; T336-R583 PolarHBondContact OG1-N 2.89Å; T336-R583 VanDerWaalsContact OG1-N 3.13Å; T336-R583 PolarHBondContact OG1-O 2.95Å; E484-R583 IonicContact OE1-CZ 3.16Å; E484-R583 IonicContact OE1-NH1 2.73Å; E484-R583 PolarHBondContact OE1-NH1 3.45Å; N485-R583 PolarHBondContact O-NH1 2.85Å; N485-R583 PolarHBondContact O-NH2 2.88Å; G572-R583 WeakPolarHBondContact O-CA 3.26Å; R583-L593 WeakPolarHBondContact O-CD2 3.49Å
584	H	98	Very high	97.5	Very high	14 Å²	14	24.8 Å²	24.8	7%	0.065	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	150.6	162.6	71.4	94.6	0	0	0	109.9	L566 K571 G572 L593 E611	L566-H584 HydrophobicContact CD1-CB 4.24Å; K571-H584 WeakPolarHBondContact CA-O 3.4Å; K571-H584 WeakPolarHBondContact CG-O 3.35Å; G572-H584 VanDerWaalsContact CA-NE2 3.27Å; G572-H584 WeakPolarHBondContact CA-NE2 3.3Å; G572-H584 PolarHBondContact N-CE1 3.19Å; G572-H584 PolarHBondContact N-NE2 2.97Å; G572-H584 PolarHBondContact N-O 3.45Å; G572-H584 PolarHBondContact O-CD2 2.75Å; G572-H584 PolarHBondContact O-N 2.85Å; H584-L593 HydrophobicContact CB-CD1 4.16Å; H584-E611 IonicContact CE1-OE2 3.62Å; H584-E611 PolarHBondContact CE1-OE2 3.26Å; H584-E611 VanDerWaalsContact CE1-OE2 3.31Å; H584-E611 IonicContact NE2-OE2 3.48Å
585	W	97.9	Very high	97.5	Very high	51 Å²	51	24.8 Å²	24.8	19%	0.193	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	125.9	175.7	-164	-1.9	0	0	0	110.7	W282 K571 I587 G588	W282-W585 HydrophobicContact CB-CE3 3.58Å; W282-W585 HydrophobicContact CB-CZ3 3.79Å; W282-W585 HydrophobicContact CD2-CB 4.02Å; W282-W585 HydrophobicContact CD2-CE3 4.08Å; W282-W585 HydrophobicContact CE3-CB 3.65Å; W282-W585 AromaticContact CG-CE3 3.64Å; W282-W585 HydrophobicContact CG-CE3 3.64Å; W282-W585 HydrophobicContact CG-CZ3 4.2Å; W282-W585 HydrophobicContact CH2-CB 4.32Å; W282-W585 HydrophobicContact CZ3-CB 3.81Å; W282-W585 WeakPolarHBondContact CZ3-O 3.48Å; K571-W585 HydrophobicContact CB-CG 4.1Å; K571-W585 HydrophobicContact CD-CD2 3.62Å; K571-W585 HydrophobicContact CD-CE3 4.15Å; K571-W585 HydrophobicContact CD-CG 3.79Å; K571-W585 HydrophobicContact CD-CZ2 4.17Å; K571-W585 HydrophobicContact CG-CB 3.95Å; K571-W585 HydrophobicContact CG-CD2 3.99Å; K571-W585 HydrophobicContact CG-CG 3.58Å; W585-I587 HydrophobicContact CB-CG1 4.4Å; W585-I587 HydrophobicContact CD2-CD1 3.55Å; W585-I587 HydrophobicContact CD2-CG1 3.55Å; W585-I587 VanDerWaalsContact CE2-CD1 3.44Å; W585-I587 HydrophobicContact CE3-CD1 3.68Å; W585-I587 HydrophobicContact CE3-CG1 4.02Å; W585-I587 HydrophobicContact CG-CD1 4.28Å; W585-I587 HydrophobicContact CG-CG1 3.73Å; W585-I587 HydrophobicContact CH2-CD1 3.63Å; W585-I587 HydrophobicContact CZ2-CD1 3.5Å; W585-I587 HydrophobicContact CZ2-CG1 4.28Å; W585-I587 HydrophobicContact CZ3-CD1 3.72Å; W585-I587 PolarHBondContact O-N 3.24Å; W585-G588 PolarHBondContact O-N 2.79Å
586	Y	96.6	Very high	97.5	Very high	150 Å²	150	24.7 Å²	24.7	59%	0.588	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-22.1	-176.8	79.8	-91.8	0	0	0	114.9	G570 G588 Q591	G570-Y586 WeakPolarHBondContact O-CD1 3.41Å; G570-Y586 PolarHBondContact O-N 2.83Å; Y586-G588 PolarHBondContact O-N 3.15Å; Y586-Q591 PolarHBondContact O-NE2 2.93Å
587	I	96.8	Very high	97.5	Very high	60 Å²	60	24.9 Å²	24.9	31%	0.308	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-10.4	-177.3	68.4	171.2	0	0	0	114	W282 W585	W282-I587 HydrophobicContact CB-CD1 4.07Å; W282-I587 HydrophobicContact CB-CG1 4.38Å; W585-I587 HydrophobicContact CB-CG1 4.4Å; W585-I587 HydrophobicContact CD2-CD1 3.55Å; W585-I587 HydrophobicContact CD2-CG1 3.55Å; W585-I587 VanDerWaalsContact CE2-CD1 3.44Å; W585-I587 HydrophobicContact CE3-CD1 3.68Å; W585-I587 HydrophobicContact CE3-CG1 4.02Å; W585-I587 HydrophobicContact CG-CD1 4.28Å; W585-I587 HydrophobicContact CG-CG1 3.73Å; W585-I587 HydrophobicContact CH2-CD1 3.63Å; W585-I587 HydrophobicContact CZ2-CD1 3.5Å; W585-I587 HydrophobicContact CZ2-CG1 4.28Å; W585-I587 HydrophobicContact CZ3-CD1 3.72Å; W585-I587 PolarHBondContact O-N 3.24Å
588	G	97.3	Very high	97.6	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.01	12%	0.123	C	C	.	.			trans	70.1	-167.8	178.2	0	0	0	0	0	114.3	W282 G283 W585 Y586 Q591	W282-G588 CarbonylContact C-O 3.49Å; W282-G588 VanDerWaalsContact CA-O 3.3Å; W282-G588 WeakPolarHBondContact CA-O 3.33Å; W282-G588 VanDerWaalsContact CE3-O 3.25Å; G283-G588 PolarHBondContact N-O 2.83Å; W585-G588 PolarHBondContact O-N 2.79Å; Y586-G588 PolarHBondContact O-N 3.15Å; G588-Q591 VanDerWaalsContact CA-NE2 3.29Å
589	P	97.7	Very high	97.7	Very high	8 Å²	8	27 Å²	27	5%	0.052	13%	0.129	C	C	.	.	S	Bend	cis	-72.1	-34.1	7.7	29	-33.9	0	0	0	112.3	D280 A281 D284 H286 Q591 L627 G628	D280-P589 HydrophobicContact CB-CG 3.99Å; A281-P589 WeakPolarHBondContact O-CD 3.41Å; D284-P589 VanDerWaalsContact O-CB 3.26Å; D284-P589 WeakPolarHBondContact O-CB 3.45Å; D284-P589 VanDerWaalsContact O-CD 3.25Å; D284-P589 WeakPolarHBondContact O-CD 3.46Å; D284-P589 WeakPolarHBondContact O-CG 3.28Å; H286-P589 HydrophobicContact CB-CB 4.27Å; P589-Q591 PolarHBondContact O-N 2.89Å; P589-L627 CarbonylContact C-O 3.5Å; P589-L627 VanDerWaalsContact CB-O 3.31Å; P589-L627 WeakPolarHBondContact CB-O 3.46Å; P589-L627 CarbonylContact O-C 3.53Å; P589-L627 VanDerWaalsContact O-C 3.27Å; P589-G628 VanDerWaalsContact O-CA 3.23Å; P589-G628 WeakPolarHBondContact O-CA 3.21Å; P589-G628 PolarHBondContact O-N 3.45Å
590	Q	98.2	Very high	97.8	Very high	3 Å²	3	24.2 Å²	24.2	1%	0.014	12%	0.115	C	C	.	.			trans	-58.7	126.1	175	-179.4	177.7	12.9	0	0	112.5	W282 I335 T592 L627	W282-Q590 HydrophobicContact CH2-CB 4.03Å; W282-Q590 HydrophobicContact CH2-CG 4.31Å; W282-Q590 HydrophobicContact CZ3-CB 4.06Å; W282-Q590 WeakPolarHBondContact CZ3-O 3.24Å; I335-Q590 HydrophobicContact CB-CB 4.42Å; I335-Q590 HydrophobicContact CD1-CB 3.85Å; Q590-T592 WeakPolarHBondContact CG-O 3.32Å; Q590-T592 PolarHBondContact NE2-O 2.97Å; Q590-L627 HydrophobicContact CG-CD2 4.43Å
591	Q	97.7	Very high	97.7	Very high	74 Å²	74	27.2 Å²	27.2	35%	0.346	13%	0.131	S	C	.	.			trans	-116.4	-6.8	176.8	-62.5	-61.9	-33.8	0	0	113.2	Y586 G588 P589 D626	Y586-Q591 PolarHBondContact O-NE2 2.93Å; G588-Q591 VanDerWaalsContact CA-NE2 3.29Å; P589-Q591 PolarHBondContact O-N 2.89Å; Q591-D626 HydrophobicContact CB-CB 3.98Å; Q591-D626 PolarHBondContact N-O 2.91Å
592	T	98.4	Very high	97.6	Very high	2 Å²	2	31 Å²	31	1%	0.012	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	148.3	179.8	53.6	0	0	0	0	112.3	F563 V564 K565 Q590 D626	F563-T592 HydrophobicContact CB-CG2 4.33Å; V564-T592 CarbonylContact O-C 3.53Å; V564-T592 WeakPolarHBondContact O-CA 3.28Å; K565-T592 HydrophobicContact CB-CG2 3.99Å; K565-T592 HydrophobicContact CD-CG2 4.16Å; K565-T592 HydrophobicContact CG-CG2 4.1Å; Q590-T592 WeakPolarHBondContact CG-O 3.32Å; Q590-T592 PolarHBondContact NE2-O 2.97Å; T592-D626 HydrophobicContact CG2-CB 3.81Å; T592-D626 PolarHBondContact N-O 2.8Å; T592-D626 PolarHBondContact OG1-N 3.27Å; T592-D626 PolarHBondContact OG1-O 2.84Å
593	L	98.8	Very high	97.5	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126	173.8	-66.1	170	0	0	0	110.6	T336 F563 V564 V574 L581 R583 H584 L595	T336-L593 HydrophobicContact CG2-CD2 3.68Å; F563-L593 CarbonylContact C-O 3.53Å; F563-L593 WeakPolarHBondContact CA-O 3.41Å; V564-L593 HydrophobicContact CB-CB 4.29Å; V564-L593 PolarHBondContact N-O 2.94Å; V564-L593 PolarHBondContact O-N 2.84Å; V574-L593 HydrophobicContact CB-CD1 4.02Å; V574-L593 HydrophobicContact CG2-CD1 3.73Å; L581-L593 HydrophobicContact CD2-CB 3.64Å; L581-L593 HydrophobicContact CD2-CD1 4.26Å; L581-L593 HydrophobicContact CG-CB 4.12Å; R583-L593 WeakPolarHBondContact O-CD2 3.49Å; H584-L593 HydrophobicContact CB-CD1 4.16Å; L593-L595 PolarHBondContact O-N 3.14Å
594	Y	98.8	Very high	97.4	Very high	3 Å²	3	35.4 Å²	35.4	1%	0.012	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	125.3	175.3	175.9	-132.4	0	0	0	111.1	Y75 T317 F319 E346 D561 F563 L581 P596	Y75-Y594 VanDerWaalsContact CE2-OH 3.32Å; Y75-Y594 WeakPolarHBondContact CE2-OH 3.23Å; T317-Y594 WeakPolarHBondContact OG1-CD1 3.42Å; F319-Y594 HydrophobicContact CZ-CD1 4.48Å; E346-Y594 HydrophobicContact CG-CD1 4.04Å; E346-Y594 HydrophobicContact CG-CG 4.16Å; E346-Y594 WeakPolarHBondContact OE1-CB 3.45Å; D561-Y594 HydrophobicContact CB-CE2 3.95Å; D561-Y594 VanDerWaalsContact CG-OH 3.22Å; D561-Y594 PolarHBondContact OD2-OH 2.85Å; F563-Y594 HydrophobicContact CD1-CD2 4.28Å; F563-Y594 AromaticContact CE1-CD2 3.74Å; F563-Y594 HydrophobicContact CE1-CD2 3.74Å; F563-Y594 HydrophobicContact CE1-CG 4.13Å; F563-Y594 AromaticContact CZ-CD2 3.96Å; F563-Y594 HydrophobicContact CZ-CD2 3.96Å; L581-Y594 WeakPolarHBondContact CD1-O 3.36Å; Y594-P596 HydrophobicContact CD1-CG 4.03Å; Y594-P596 HydrophobicContact CE1-CB 4.35Å; Y594-P596 HydrophobicContact CE1-CG 3.67Å
595	L	98.6	Very high	97.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	102.1	175	177.2	53.9	0	0	0	110.3	M553 T562 V564 I576 L581 L593 F599 L600 F621	M553-L595 HydrophobicContact SD-CD2 4.27Å; T562-L595 HydrophobicContact CG2-CB 3.76Å; T562-L595 HydrophobicContact CG2-CD2 3.85Å; T562-L595 HydrophobicContact CG2-CG 4.01Å; T562-L595 PolarHBondContact N-O 2.53Å; T562-L595 PolarHBondContact O-N 3.19Å; V564-L595 HydrophobicContact CG2-CB 3.83Å; V564-L595 HydrophobicContact CG2-CD2 3.88Å; I576-L595 HydrophobicContact CB-CD1 4.21Å; I576-L595 HydrophobicContact CD1-CD2 4.29Å; I576-L595 HydrophobicContact CG1-CD1 3.96Å; I576-L595 HydrophobicContact CG1-CD2 4.05Å; I576-L595 HydrophobicContact CG2-CD1 4.19Å; I576-L595 HydrophobicContact CG2-CD2 4.46Å; L581-L595 HydrophobicContact CD1-CD1 4.03Å; L581-L595 HydrophobicContact CD2-CB 4.29Å; L593-L595 PolarHBondContact O-N 3.14Å; L595-F599 HydrophobicContact CD1-CB 4.01Å; L595-L600 HydrophobicContact CD1-CG 4.49Å; L595-L600 HydrophobicContact CD2-CD1 4.29Å; L595-L600 HydrophobicContact CD2-CD2 3.98Å; L595-L600 HydrophobicContact CD2-CG 4.3Å; L595-L600 HydrophobicContact CG-CD1 4.28Å; L595-L600 HydrophobicContact CG-CD2 4.46Å; L595-L600 HydrophobicContact CG-CG 4.29Å; L595-F621 HydrophobicContact CD2-CE1 4.14Å
596	P	98.1	Very high	97.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.184	C	C	.	.			trans	-64.3	137.1	176.4	-19.6	29.7	0	0	0	112.4	P72 Y75 F319 D561 Y594 P598 F599	P72-P596 HydrophobicContact CG-CB 3.77Å; P72-P596 HydrophobicContact CG-CG 3.59Å; Y75-P596 HydrophobicContact CE2-CB 3.93Å; F319-P596 HydrophobicContact CE1-CG 4.18Å; F319-P596 HydrophobicContact CZ-CG 3.79Å; D561-P596 WeakPolarHBondContact OD1-CA 3.2Å; Y594-P596 HydrophobicContact CD1-CG 4.03Å; Y594-P596 HydrophobicContact CE1-CB 4.35Å; Y594-P596 HydrophobicContact CE1-CG 3.67Å; P596-P598 VanDerWaalsContact C-N 3.31Å; P596-F599 HydrophobicContact CB-CD2 4.47Å; P596-F599 HydrophobicContact CB-CG 4.36Å; P596-F599 HydrophobicContact CG-CD2 3.99Å; P596-F599 HydrophobicContact CG-CE2 3.98Å; P596-F599 HydrophobicContact CG-CG 4.37Å; P596-F599 HydrophobicContact CG-CZ 4.35Å; P596-F599 WeakPolarHBondContact O-CB 3.45Å; P596-F599 PolarHBondContact O-N 2.88Å
597	G	97.5	Very high	97.3	Very high	4 Å²	4	27.1 Å²	27.1	4%	0.041	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-49.2	-40.5	172.5	0	0	0	0	0	114.7	Y75 D561 F599 L600	Y75-G597 PolarHBondContact OH-N 3.39Å; D561-G597 PolarHBondContact OD1-N 2.95Å; G597-F599 PolarHBondContact O-N 3.18Å; G597-F599 VanDerWaalsContact O-N 3.13Å; G597-L600 WeakPolarHBondContact O-CB 3.34Å; G597-L600 PolarHBondContact O-N 2.88Å
598	P	96.5	Very high	97.4	Very high	59 Å²	59	24.3 Å²	24.3	38%	0.383	14%	0.142	S	C	.	.	G	3₁₀ helix	trans	-59.4	-18.7	174.8	-30.5	32.9	0	0	0	115.7	A74 Y75 P596 L600	A74-P598 HydrophobicContact CB-CB 4.07Å; A74-P598 HydrophobicContact CB-CG 3.62Å; Y75-P598 HydrophobicContact CD1-CG 4.17Å; Y75-P598 HydrophobicContact CE1-CG 3.43Å; Y75-P598 VanDerWaalsContact CE1-CG 3.43Å; Y75-P598 HydrophobicContact CE2-CG 4.24Å; Y75-P598 WeakPolarHBondContact OH-CD 3.37Å; P596-P598 VanDerWaalsContact C-N 3.31Å; P598-L600 VanDerWaalsContact C-N 3.29Å
599	F	96.6	Very high	97.5	Very high	31 Å²	31	24.3 Å²	24.3	14%	0.136	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-86.4	-9.1	176	-66.4	0.5	0	0	0	111.9	P72 F319 N577 L579 L581 L595 P596 G597	P72-F599 HydrophobicContact CB-CE1 4.06Å; P72-F599 HydrophobicContact CB-CZ 4.42Å; P72-F599 HydrophobicContact CG-CE1 4.04Å; P72-F599 HydrophobicContact CG-CZ 3.97Å; F319-F599 HydrophobicContact CD1-CE2 4.02Å; F319-F599 AromaticContact CE1-CE2 3.72Å; F319-F599 HydrophobicContact CE1-CE2 3.72Å; F319-F599 HydrophobicContact CE1-CZ 4.44Å; F319-F599 HydrophobicContact CE2-CE2 4.45Å; F319-F599 HydrophobicContact CE2-CZ 4.4Å; F319-F599 AromaticContact CZ-CE2 3.96Å; F319-F599 HydrophobicContact CZ-CE2 3.96Å; F319-F599 HydrophobicContact CZ-CZ 4.27Å; N577-F599 PolarHBondContact ND2-O 3.21Å; L579-F599 HydrophobicContact CD1-CB 3.78Å; L579-F599 HydrophobicContact CD1-CD1 3.77Å; L579-F599 HydrophobicContact CD1-CD2 4.07Å; L579-F599 HydrophobicContact CD1-CE1 4.37Å; L579-F599 HydrophobicContact CD1-CG 3.62Å; L581-F599 HydrophobicContact CD1-CD2 4.43Å; L595-F599 HydrophobicContact CD1-CB 4.01Å; P596-F599 HydrophobicContact CB-CD2 4.47Å; P596-F599 HydrophobicContact CB-CG 4.36Å; P596-F599 HydrophobicContact CG-CD2 3.99Å; P596-F599 HydrophobicContact CG-CE2 3.98Å; P596-F599 HydrophobicContact CG-CG 4.37Å; P596-F599 HydrophobicContact CG-CZ 4.35Å; P596-F599 WeakPolarHBondContact O-CB 3.45Å; P596-F599 PolarHBondContact O-N 2.88Å; G597-F599 PolarHBondContact O-N 3.18Å; G597-F599 VanDerWaalsContact O-N 3.13Å
600	L	97.2	Very high	97.5	Very high	11 Å²	11	23.9 Å²	23.9	6%	0.058	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-98.4	141.2	177.1	-66.3	167.8	0	0	0	110.7	Y381 M553 T555 P559 I576 L595 G597 P598 N605	Y381-L600 HydrophobicContact CE2-CD1 3.87Å; M553-L600 HydrophobicContact CE-CD1 4.46Å; M553-L600 HydrophobicContact CE-CD2 3.95Å; M553-L600 HydrophobicContact SD-CD2 3.65Å; T555-L600 HydrophobicContact CG2-CB 4.44Å; T555-L600 HydrophobicContact CG2-CD1 4.17Å; T555-L600 HydrophobicContact CG2-CD2 4.25Å; P559-L600 HydrophobicContact CB-CB 3.45Å; P559-L600 VanDerWaalsContact CB-CB 3.45Å; P559-L600 HydrophobicContact CB-CD1 4.07Å; P559-L600 HydrophobicContact CB-CG 4.41Å; P559-L600 HydrophobicContact CG-CB 3.83Å; I576-L600 HydrophobicContact CG2-CD2 3.97Å; L595-L600 HydrophobicContact CD1-CG 4.49Å; L595-L600 HydrophobicContact CD2-CD1 4.29Å; L595-L600 HydrophobicContact CD2-CD2 3.98Å; L595-L600 HydrophobicContact CD2-CG 4.3Å; L595-L600 HydrophobicContact CG-CD1 4.28Å; L595-L600 HydrophobicContact CG-CD2 4.46Å; L595-L600 HydrophobicContact CG-CG 4.29Å; G597-L600 WeakPolarHBondContact O-CB 3.34Å; G597-L600 PolarHBondContact O-N 2.88Å; P598-L600 VanDerWaalsContact C-N 3.29Å; L600-N605 WeakPolarHBondContact CA-OD1 3.33Å; L600-N605 HydrophobicContact CD2-CB 4.18Å
601	N	96.3	Very high	97.5	Very high	90 Å²	90	23.8 Å²	23.8	48%	0.481	14%	0.138	S	C	.	.	P	Polyproline II helix	trans	-87.2	157.3	164.4	-64.1	-55.2	0	0	0	109.6	T555 P559 N577 N605	T555-N601 PolarHBondContact OG1-O 3.43Å; P559-N601 WeakPolarHBondContact CG-O 3.43Å; N577-N601 PolarHBondContact ND2-ND2 2.99Å; N601-N605 PolarHBondContact N-OD1 2.85Å; N601-N605 PolarHBondContact O-ND2 2.99Å
602	S	95.8	Very high	97.5	Very high	83 Å²	83	20.3 Å²	20.3	58%	0.58	12%	0.122	S	C	*	.	S	Bend	trans	-70.2	131.5	163.8	-167.8	0	0	0	0	109.3	G557	G557-S602 VanDerWaalsContact O-CB 3.3Å; G557-S602 WeakPolarHBondContact O-CB 3.21Å; G557-S602 PolarHBondContact O-OG 3.47Å
603	G	96.1	Very high	97.3	Very high	12 Å²	12	23.9 Å²	23.9	12%	0.124	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	90.8	-131.2	-178	0	0	0	0	0	112.9	F554 T555 N605	F554-G603 WeakPolarHBondContact CA-O 3.47Å; T555-G603 PolarHBondContact N-O 3.23Å; T555-G603 WeakPolarHBondContact O-CA 3.23Å; T555-G603 PolarHBondContact O-N 2.88Å; T555-G603 PolarHBondContact OG1-N 2.82Å; T555-G603 VanDerWaalsContact OG1-N 3.14Å; T555-G603 PolarHBondContact OG1-O 2.94Å; G603-N605 PolarHBondContact O-ND2 2.87Å
604	V	96.2	Very high	97.1	Very high	84 Å²	84	29.5 Å²	29.5	51%	0.509	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	129.7	-172.7	-178.1	0	0	0	0	110.6	R552 F554	R552-V604 HydrophobicContact CB-CG1 4.29Å; R552-V604 HydrophobicContact CG-CG1 3.9Å; F554-V604 HydrophobicContact CD2-CG2 3.93Å; F554-V604 HydrophobicContact CE2-CG2 4.15Å
605	N	97.3	Very high	96.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	136	173.6	-68.9	-92.3	0	0	0	109.4	R552 M553 T555 N577 L600 N601 G603	R552-N605 VanDerWaalsContact CA-O 3.32Å; R552-N605 WeakPolarHBondContact CA-O 3.22Å; M553-N605 HydrophobicContact CG-CB 3.56Å; M553-N605 PolarHBondContact N-O 2.94Å; M553-N605 PolarHBondContact O-N 2.82Å; M553-N605 HydrophobicContact SD-CB 4.31Å; T555-N605 PolarHBondContact OG1-ND2 3.46Å; N577-N605 PolarHBondContact ND2-OD1 2.85Å; N577-N605 WeakPolarHBondContact OD1-CA 3.16Å; L600-N605 WeakPolarHBondContact CA-OD1 3.33Å; L600-N605 HydrophobicContact CD2-CB 4.18Å; N601-N605 PolarHBondContact N-OD1 2.85Å; N601-N605 PolarHBondContact O-ND2 2.99Å; G603-N605 PolarHBondContact O-ND2 2.87Å
606	Q	96.8	Very high	96.1	Very high	42 Å²	42	34.6 Å²	34.6	20%	0.196	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	133.6	176.4	-175.6	177.7	55.1	0	0	109.6	N532 L550 I576 N577 I608	N532-Q606 PolarHBondContact OD1-NE2 3.12Å; L550-Q606 HydrophobicContact CD1-CG 3.54Å; I576-Q606 WeakPolarHBondContact CA-O 3.4Å; N577-Q606 PolarHBondContact N-O 3.03Å; N577-Q606 PolarHBondContact OD1-N 3.25Å; Q606-I608 HydrophobicContact CG-CD1 4.3Å; Q606-I608 HydrophobicContact CG-CG1 4.14Å
607	V	97.8	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	119.6	173.8	-174	0	0	0	0	107.9	A384 M386 G551 M553 F575 I576 I619	A384-V607 HydrophobicContact CB-CB 4.5Å; A384-V607 HydrophobicContact CB-CG2 4.05Å; M386-V607 HydrophobicContact CE-CB 4.39Å; M386-V607 HydrophobicContact CE-CG1 4.18Å; G551-V607 PolarHBondContact N-O 3.26Å; G551-V607 PolarHBondContact O-N 2.7Å; M553-V607 HydrophobicContact CB-CG2 4.18Å; M553-V607 HydrophobicContact CG-CG2 3.94Å; M553-V607 HydrophobicContact SD-CG2 4.29Å; F575-V607 WeakPolarHBondContact O-CA 3.01Å; I576-V607 HydrophobicContact CD1-CB 4.18Å; I576-V607 HydrophobicContact CD1-CG1 3.84Å; I576-V607 HydrophobicContact CD1-CG2 3.78Å; V607-I619 HydrophobicContact CG1-CD1 3.64Å
608	I	98.1	Very high	95.8	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.2	172.6	-65.7	169	0	0	0	108	I528 F548 F549 L550 F575 Q606	I528-I608 HydrophobicContact CG2-CD1 3.9Å; F548-I608 HydrophobicContact CB-CG2 4.42Å; F548-I608 HydrophobicContact CD1-CG2 4.03Å; F549-I608 CarbonylContact O-C 3.22Å; F549-I608 VanDerWaalsContact O-CA 3.27Å; F549-I608 WeakPolarHBondContact O-CA 3.04Å; L550-I608 HydrophobicContact CD1-CD1 4.37Å; L550-I608 HydrophobicContact CD1-CG1 3.73Å; F575-I608 HydrophobicContact CB-CB 4.23Å; F575-I608 HydrophobicContact CD2-CB 4.5Å; F575-I608 HydrophobicContact CD2-CG2 4.28Å; F575-I608 PolarHBondContact N-O 3.5Å; F575-I608 PolarHBondContact O-N 3.38Å; Q606-I608 HydrophobicContact CG-CD1 4.3Å; Q606-I608 HydrophobicContact CG-CG1 4.14Å
609	V	98.4	Very high	95.8	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	124.3	170.9	-175.1	0	0	0	0	109.1	F548 F549 L566 W569 V573 V574 E611 I619	F548-V609 CarbonylContact C-O 3.27Å; F548-V609 VanDerWaalsContact CA-O 3.31Å; F548-V609 WeakPolarHBondContact CA-O 3.5Å; F549-V609 PolarHBondContact N-O 2.8Å; F549-V609 PolarHBondContact O-N 3.5Å; L566-V609 HydrophobicContact CD2-CG1 4.13Å; L566-V609 HydrophobicContact CD2-CG2 4.08Å; W569-V609 HydrophobicContact CE3-CB 4.41Å; W569-V609 HydrophobicContact CE3-CG1 3.71Å; W569-V609 HydrophobicContact CH2-CB 3.91Å; W569-V609 HydrophobicContact CH2-CG1 4.12Å; W569-V609 HydrophobicContact CH2-CG2 4.18Å; W569-V609 HydrophobicContact CZ3-CB 3.63Å; W569-V609 HydrophobicContact CZ3-CG1 3.38Å; W569-V609 HydrophobicContact CZ3-CG2 4.26Å; V573-V609 WeakPolarHBondContact O-CA 3.33Å; V574-V609 HydrophobicContact CG2-CG2 4.25Å; V609-E611 HydrophobicContact CG1-CB 4.42Å; V609-I619 HydrophobicContact CG2-CD1 3.32Å; V609-I619 HydrophobicContact CG2-CG1 4.45Å
610	F	98.5	Very high	95.8	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	119.1	163.1	178.5	-105.3	0	0	0	108.2	L392 Y426 L482 M523 P546 F548 G572 V573 F575 E612	L392-F610 HydrophobicContact CD1-CE2 4.21Å; Y426-F610 HydrophobicContact CD1-CE1 4.32Å; Y426-F610 HydrophobicContact CD2-CE1 4.06Å; Y426-F610 AromaticContact CE1-CE1 3.94Å; Y426-F610 HydrophobicContact CE1-CE1 3.94Å; Y426-F610 AromaticContact CE2-CD1 3.89Å; Y426-F610 HydrophobicContact CE2-CD1 3.89Å; Y426-F610 AromaticContact CE2-CE1 3.68Å; Y426-F610 HydrophobicContact CE2-CE1 3.68Å; Y426-F610 HydrophobicContact CG-CE1 4.38Å; Y426-F610 AromaticContact CZ-CE1 3.61Å; L482-F610 HydrophobicContact CD2-CZ 4.2Å; M523-F610 HydrophobicContact CE-CD1 4.05Å; M523-F610 HydrophobicContact CE-CD2 4.15Å; M523-F610 HydrophobicContact CE-CE1 4.08Å; M523-F610 HydrophobicContact CE-CE2 4.18Å; M523-F610 HydrophobicContact CE-CG 4.08Å; M523-F610 HydrophobicContact CE-CZ 4.13Å; P546-F610 HydrophobicContact CB-CE2 4.01Å; P546-F610 HydrophobicContact CB-CZ 3.73Å; F548-F610 HydrophobicContact CD1-CB 3.93Å; F548-F610 AromaticContact CD1-CD2 3.88Å; F548-F610 HydrophobicContact CD1-CD2 3.88Å; F548-F610 HydrophobicContact CD1-CG 4.38Å; F548-F610 HydrophobicContact CD2-CD2 4.04Å; F548-F610 HydrophobicContact CE1-CB 3.83Å; F548-F610 AromaticContact CE1-CD2 3.55Å; F548-F610 HydrophobicContact CE1-CD2 3.55Å; F548-F610 HydrophobicContact CE1-CE2 4.5Å; F548-F610 HydrophobicContact CE1-CG 4.02Å; F548-F610 AromaticContact CE2-CD2 3.72Å; F548-F610 HydrophobicContact CE2-CD2 3.72Å; F548-F610 AromaticContact CE2-CE2 3.99Å; F548-F610 HydrophobicContact CE2-CE2 3.99Å; F548-F610 HydrophobicContact CG-CD2 4.11Å; F548-F610 AromaticContact CZ-CD2 3.45Å; F548-F610 HydrophobicContact CZ-CD2 3.45Å; F548-F610 VanDerWaalsContact CZ-CD2 3.45Å; F548-F610 AromaticContact CZ-CE2 3.97Å; F548-F610 HydrophobicContact CZ-CE2 3.97Å; F548-F610 HydrophobicContact CZ-CG 4.27Å; G572-F610 CarbonylContact C-O 3.48Å; G572-F610 WeakPolarHBondContact CA-O 3.49Å; V573-F610 PolarHBondContact N-O 3.42Å; V573-F610 PolarHBondContact O-N 3.13Å; F575-F610 HydrophobicContact CE2-CB 4.38Å; F610-E612 HydrophobicContact CE1-CG 4.35Å
611	E	97.8	Very high	95.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	140.4	-177.3	168	58.8	-128.6	0	0	111.1	F545 P546 G547 F549 W569 G570 K571 H584 V609 Q613 E614 A615	F545-E611 HydrophobicContact CD1-CG 4.07Å; F545-E611 HydrophobicContact CE1-CG 3.72Å; P546-E611 VanDerWaalsContact CA-O 3.31Å; P546-E611 WeakPolarHBondContact CA-O 3.32Å; G547-E611 PolarHBondContact N-O 2.86Å; G547-E611 PolarHBondContact O-N 2.92Å; F549-E611 HydrophobicContact CD2-CB 4.13Å; F549-E611 HydrophobicContact CE2-CB 3.92Å; F549-E611 HydrophobicContact CE2-CG 4.44Å; W569-E611 HydrophobicContact CE3-CB 3.83Å; W569-E611 HydrophobicContact CE3-CG 3.95Å; W569-E611 HydrophobicContact CZ3-CB 3.87Å; W569-E611 HydrophobicContact CZ3-CG 4.35Å; G570-E611 PolarHBondContact N-OE2 3.43Å; K571-E611 PolarHBondContact N-OE1 2.99Å; K571-E611 VanDerWaalsContact N-OE1 3.08Å; K571-E611 PolarHBondContact N-OE2 3.22Å; H584-E611 IonicContact CE1-OE2 3.62Å; H584-E611 PolarHBondContact CE1-OE2 3.26Å; H584-E611 VanDerWaalsContact CE1-OE2 3.31Å; H584-E611 IonicContact NE2-OE2 3.48Å; V609-E611 HydrophobicContact CG1-CB 4.42Å; E611-Q613 PolarHBondContact OE1-N 2.9Å; E611-E614 WeakPolarHBondContact CG-O 3.37Å; E611-E614 PolarHBondContact OE1-N 2.85Å; E611-A615 HydrophobicContact CG-CB 4.25Å
612	E	97.6	Very high	95.9	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.009	19%	0.192	C	C	.	.	S	Bend	trans	-88.4	-35.1	-170.5	-73.3	178.4	-161	0	0	114.7	Y426 R448 L450 F545 K571 F610	Y426-E612 HydrophobicContact CE1-CG 4.45Å; Y426-E612 WeakPolarHBondContact CE1-OE1 3.39Å; Y426-E612 PolarHBondContact OH-OE1 3Å; R448-E612 IonicContact CZ-OE2 3.19Å; R448-E612 VanDerWaalsContact CZ-OE2 3.27Å; R448-E612 IonicContact NH1-OE1 3.13Å; R448-E612 IonicContact NH1-OE2 3.91Å; R448-E612 PolarHBondContact NH1-OE2 3.15Å; R448-E612 IonicContact NH2-OE2 2.63Å; R448-E612 PolarHBondContact NH2-OE2 2.83Å; L450-E612 HydrophobicContact CD1-CB 3.86Å; L450-E612 HydrophobicContact CD1-CG 4.11Å; F545-E612 WeakPolarHBondContact CB-O 3.26Å; K571-E612 IonicContact NZ-OE1 3.8Å; K571-E612 PolarHBondContact NZ-OE1 3.31Å; K571-E612 VanDerWaalsContact O-CB 3.28Å; K571-E612 WeakPolarHBondContact O-CB 3.02Å; K571-E612 VanDerWaalsContact O-CG 3.27Å; K571-E612 WeakPolarHBondContact O-CG 3.15Å; K571-E612 PolarHBondContact O-N 2.88Å; F610-E612 HydrophobicContact CE1-CG 4.35Å
613	Q	94.6	Very high	95.9	Very high	77 Å²	77	36.2 Å²	36.2	36%	0.36	18%	0.183	S	C	.	.	S	Bend	trans	-148.6	-31.5	-167.8	-58.7	-171.7	-96.5	0	0	115.6	L450 F545 E611	L450-Q613 HydrophobicContact CD2-CG 4.39Å; F545-Q613 WeakPolarHBondContact CD2-O 3.41Å; F545-Q613 WeakPolarHBondContact CE2-O 3.5Å; E611-Q613 PolarHBondContact OE1-N 2.9Å
614	E	93.9	Very high	95.9	Very high	120 Å²	120	39.9 Å²	39.9	56%	0.561	20%	0.204	S	C	*	.			trans	-149.7	135.6	-171.8	-171.1	173.7	-174.5	0	0	112.1	W569 G570 E611	W569-E614 WeakPolarHBondContact CA-O 3.34Å; G570-E614 PolarHBondContact N-O 3.03Å; E611-E614 WeakPolarHBondContact CG-O 3.37Å; E611-E614 PolarHBondContact OE1-N 2.85Å
615	A	92.5	Very high	96	Very high	22 Å²	22	38 Å²	38	18%	0.182	19%	0.193	C	C	.	.			trans	-143.3	139.7	-177.3	0	0	0	0	0	112.7	F545 F549 W569 E611 Y617	F545-A615 HydrophobicContact CE1-CB 3.96Å; F545-A615 HydrophobicContact CZ-CB 4.01Å; F549-A615 HydrophobicContact CE1-CB 4.33Å; F549-A615 HydrophobicContact CE2-CB 4.05Å; F549-A615 HydrophobicContact CZ-CB 3.91Å; W569-A615 HydrophobicContact CD2-CB 4.12Å; W569-A615 HydrophobicContact CE3-CB 3.8Å; W569-A615 HydrophobicContact CH2-CB 4.13Å; W569-A615 HydrophobicContact CZ2-CB 4.42Å; W569-A615 HydrophobicContact CZ3-CB 3.79Å; E611-A615 HydrophobicContact CG-CB 4.25Å; A615-Y617 HydrophobicContact CB-CD1 4.24Å; A615-Y617 HydrophobicContact CB-CE1 4.32Å
616	D	85.5	Confident	96	Very high	89 Å²	89	40.6 Å²	40.6	48%	0.476	21%	0.207	S	C	.	.			trans	-102	13.9	176.4	-166.9	24.7	0	0	0	113.2	P567 G568 K618	P567-D616 VanDerWaalsContact O-CB 3.28Å; P567-D616 WeakPolarHBondContact O-CB 3.35Å; G568-D616 PolarHBondContact O-N 2.96Å; D616-K618 WeakPolarHBondContact O-CB 3.34Å; D616-K618 PolarHBondContact O-N 3.35Å
617	Y	93.4	Very high	96	Very high	50 Å²	50	39.4 Å²	39.4	20%	0.196	20%	0.202	C	C	.	.	S	Bend	trans	49.8	9.2	179.2	-57.9	-22.1	0	0	0	116.7	M386 L539 P540 P543 F549 A615	M386-Y617 WeakPolarHBondContact CB-O 3.24Å; M386-Y617 WeakPolarHBondContact CG-O 3.19Å; M386-Y617 PolarHBondContact N-O 2.81Å; L539-Y617 HydrophobicContact CB-CE2 4.37Å; L539-Y617 HydrophobicContact CD1-CD1 4.28Å; L539-Y617 HydrophobicContact CD1-CD2 3.8Å; L539-Y617 HydrophobicContact CD1-CE2 4.28Å; L539-Y617 HydrophobicContact CD1-CG 3.77Å; L539-Y617 HydrophobicContact CD2-CD1 4.18Å; L539-Y617 HydrophobicContact CD2-CE1 4.16Å; L539-Y617 HydrophobicContact CD2-CG 4.48Å; P540-Y617 WeakPolarHBondContact O-CE2 3.31Å; P540-Y617 PolarHBondContact O-OH 3.07Å; P543-Y617 HydrophobicContact CB-CE1 4.3Å; P543-Y617 WeakPolarHBondContact CB-OH 3.37Å; P543-Y617 WeakPolarHBondContact CD-OH 3.18Å; P543-Y617 HydrophobicContact CG-CE1 3.89Å; P543-Y617 WeakPolarHBondContact CG-OH 3.38Å; F549-Y617 AromaticContact CD1-CD1 3.98Å; F549-Y617 HydrophobicContact CD1-CD1 3.98Å; F549-Y617 AromaticContact CD1-CE1 3.95Å; F549-Y617 HydrophobicContact CD1-CE1 3.95Å; F549-Y617 AromaticContact CE1-CD1 3.88Å; F549-Y617 HydrophobicContact CE1-CD1 3.88Å; F549-Y617 AromaticContact CE1-CE1 3.38Å; F549-Y617 HydrophobicContact CE1-CE1 3.38Å; F549-Y617 HydrophobicContact CZ-CE1 4.22Å; A615-Y617 HydrophobicContact CB-CD1 4.24Å; A615-Y617 HydrophobicContact CB-CE1 4.32Å
618	K	94.8	Very high	95.9	Very high	87 Å²	87	41 Å²	41	38%	0.378	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	139.7	-175.6	179	178.8	177.9	-171.9	0	108.8	P383 I385 W569 D616	P383-K618 HydrophobicContact CB-CD 4.35Å; P383-K618 VanDerWaalsContact CB-CE 3.42Å; P383-K618 HydrophobicContact CB-CG 4.08Å; I385-K618 HydrophobicContact CD1-CB 4.37Å; I385-K618 HydrophobicContact CD1-CD 4.28Å; I385-K618 HydrophobicContact CD1-CG 3.95Å; W569-K618 PolarHBondContact NE1-O 2.72Å; D616-K618 WeakPolarHBondContact O-CB 3.34Å; D616-K618 PolarHBondContact O-N 3.35Å
619	I	96.3	Very high	95.8	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	135.1	174.5	-61.3	168.2	0	0	0	107.3	P383 A384 M386 V564 L566 W569 V607 V609 F621	P383-I619 CarbonylContact C-O 3.56Å; P383-I619 WeakPolarHBondContact CA-O 3.43Å; P383-I619 WeakPolarHBondContact CB-O 3.22Å; A384-I619 HydrophobicContact CB-CB 4.3Å; A384-I619 PolarHBondContact N-O 3.24Å; A384-I619 PolarHBondContact O-N 3.36Å; M386-I619 HydrophobicContact CE-CB 4.46Å; M386-I619 HydrophobicContact CE-CD1 3.43Å; M386-I619 VanDerWaalsContact CE-CD1 3.43Å; M386-I619 HydrophobicContact CE-CG1 3.94Å; M386-I619 HydrophobicContact SD-CD1 4.18Å; V564-I619 HydrophobicContact CG1-CG2 3.24Å; L566-I619 HydrophobicContact CD2-CD1 4.18Å; L566-I619 HydrophobicContact CD2-CG1 4.07Å; L566-I619 HydrophobicContact CG-CG1 4.25Å; L566-I619 HydrophobicContact CG-CG2 4.3Å; W569-I619 HydrophobicContact CZ2-CD1 4.49Å; W569-I619 HydrophobicContact CZ2-CG1 4.08Å; V607-I619 HydrophobicContact CG1-CD1 3.64Å; V609-I619 HydrophobicContact CG2-CD1 3.32Å; V609-I619 HydrophobicContact CG2-CG1 4.45Å; I619-F621 HydrophobicContact CG2-CZ 4.5Å
620	T	97.5	Very high	95.7	Very high	29 Å²	29	51 Å²	51	18%	0.178	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	159.4	179.5	55.8	0	0	0	0	110.7	P383 K565	P383-T620 HydrophobicContact CB-CG2 4.36Å; P383-T620 HydrophobicContact CG-CG2 4.3Å; K565-T620 PolarHBondContact N-O 2.88Å; K565-T620 PolarHBondContact O-N 3.42Å; K565-T620 PolarHBondContact O-OG1 2.88Å
621	F	97.8	Very high	95.6	Very high	8 Å²	8	53.5 Å²	53.5	4%	0.035	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	138.7	179.3	-60.7	-80.4	0	0	0	108.7	T380 Y381 E382 A384 M553 T562 F563 V564 L595 I619	T380-F621 VanDerWaalsContact CG2-O 3.23Å; T380-F621 WeakPolarHBondContact CG2-O 3.42Å; Y381-F621 HydrophobicContact CD2-CB 4.5Å; Y381-F621 HydrophobicContact CD2-CG 4.49Å; E382-F621 WeakPolarHBondContact O-CD2 3.25Å; E382-F621 WeakPolarHBondContact O-CE2 3.43Å; A384-F621 HydrophobicContact CB-CE2 3.95Å; A384-F621 HydrophobicContact CB-CZ 4.1Å; M553-F621 HydrophobicContact CB-CE2 3.96Å; M553-F621 HydrophobicContact CB-CZ 3.94Å; M553-F621 HydrophobicContact CE-CD1 4.24Å; M553-F621 HydrophobicContact CE-CD2 4.41Å; M553-F621 HydrophobicContact CE-CE1 3.76Å; M553-F621 HydrophobicContact CE-CE2 3.96Å; M553-F621 HydrophobicContact CE-CZ 3.62Å; M553-F621 HydrophobicContact CG-CZ 4.24Å; M553-F621 HydrophobicContact SD-CE1 3.68Å; M553-F621 HydrophobicContact SD-CE2 4.16Å; M553-F621 HydrophobicContact SD-CZ 3.37Å; M553-F621 WeakPolarHBondContact SD-CZ 3.4Å; T562-F621 HydrophobicContact CG2-CD1 3.81Å; F563-F621 CarbonylContact O-C 3.56Å; F563-F621 VanDerWaalsContact O-CA 3.26Å; F563-F621 WeakPolarHBondContact O-CA 3.27Å; V564-F621 HydrophobicContact CG1-CE1 4.37Å; V564-F621 HydrophobicContact CG2-CD1 4.16Å; V564-F621 HydrophobicContact CG2-CE1 3.92Å; L595-F621 HydrophobicContact CD2-CE1 4.14Å; I619-F621 HydrophobicContact CG2-CZ 4.5Å
622	E	97.4	Very high	95.3	Very high	52 Å²	52	56.9 Å²	56.9	24%	0.243	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	152.9	-178.6	-64.6	-174.1	168.5	0	0	110.4	T562 F563 K565	T562-E622 PolarHBondContact OG1-O 2.79Å; F563-E622 HydrophobicContact CB-CB 4.49Å; F563-E622 WeakPolarHBondContact CB-O 2.98Å; F563-E622 PolarHBondContact N-O 2.8Å; F563-E622 PolarHBondContact O-N 3.34Å; K565-E622 VanDerWaalsContact CD-CD 3.42Å; K565-E622 HydrophobicContact CD-CG 4.38Å; K565-E622 WeakPolarHBondContact CD-OE1 3.38Å; K565-E622 IonicContact NZ-OE1 3.43Å; K565-E622 PolarHBondContact NZ-OE1 3.13Å; K565-E622 IonicContact NZ-OE2 2.86Å; K565-E622 PolarHBondContact NZ-OE2 2.86Å; K565-E622 VanDerWaalsContact NZ-OE2 3.13Å
623	E	95.8	Very high	94.8	Very high	85 Å²	85	57.8 Å²	57.8	40%	0.397	32%	0.315	S	S	.	.	S	Bend	trans	-78.3	-24	174.2	-88	161.2	-138.3	0	0	113.2	K378 T380 F563	K378-E623 HydrophobicContact CB-CG 4.18Å; K378-E623 WeakPolarHBondContact CD-O 3.14Å; K378-E623 WeakPolarHBondContact CE-O 3.48Å; T380-E623 PolarHBondContact N-OE1 3.48Å; T380-E623 VanDerWaalsContact OG1-CD 3.3Å; T380-E623 VanDerWaalsContact OG1-CG 3.29Å; T380-E623 WeakPolarHBondContact OG1-CG 3.16Å; T380-E623 PolarHBondContact OG1-OE1 2.96Å; F563-E623 WeakPolarHBondContact CD2-O 3.35Å; F563-E623 WeakPolarHBondContact CE2-O 3.07Å
624	T	96.1	Very high	93.1	Very high	90 Å²	90	63.8 Å²	63.8	55%	0.552	34%	0.343	S	S	*	.	S	Bend	trans	-117.5	145.4	-176.5	52.5	0	0	0	0	110.8
625	P	97.4	Very high	93.1	Very high	45 Å²	45	61 Å²	61	29%	0.292	33%	0.332	S	S	.	.			trans	-69.7	144.4	172.2	29.9	-32.1	0	0	0	110.5	F563 L627	F563-P625 HydrophobicContact CD1-CB 3.88Å; F563-P625 HydrophobicContact CE1-CB 3.6Å; F563-P625 HydrophobicContact CE1-CG 4.21Å; F563-P625 HydrophobicContact CE2-CB 4.42Å; F563-P625 HydrophobicContact CE2-CG 4.44Å; F563-P625 HydrophobicContact CG-CB 4.43Å; F563-P625 HydrophobicContact CZ-CB 3.88Å; F563-P625 HydrophobicContact CZ-CG 4Å; P625-L627 HydrophobicContact CB-CD2 4.42Å; P625-L627 HydrophobicContact CB-CG 4.25Å
626	D	97.9	Very high	93.1	Very high	53 Å²	53	63.1 Å²	63.1	28%	0.283	34%	0.34	S	S	.	.			trans	-107.7	101.2	161.5	-172.8	-11.3	0	0	0	107.9	K565 Q591 T592 G628	K565-D626 IonicContact NZ-OD2 2.81Å; K565-D626 PolarHBondContact NZ-OD2 2.83Å; Q591-D626 HydrophobicContact CB-CB 3.98Å; Q591-D626 PolarHBondContact N-O 2.91Å; T592-D626 HydrophobicContact CG2-CB 3.81Å; T592-D626 PolarHBondContact N-O 2.8Å; T592-D626 PolarHBondContact OG1-N 3.27Å; T592-D626 PolarHBondContact OG1-O 2.84Å; D626-G628 PolarHBondContact OD1-N 2.65Å
627	L	97.6	Very high	93.5	Very high	18 Å²	18	61.6 Å²	61.6	9%	0.094	33%	0.333	C	S	.	.			trans	-96	4.7	176.6	-60.5	-177.9	0	0	0	112	H286 D339 P589 Q590 P625	H286-L627 WeakPolarHBondContact CB-O 3.4Å; D339-L627 HydrophobicContact CB-CD1 3.76Å; P589-L627 CarbonylContact C-O 3.5Å; P589-L627 VanDerWaalsContact CB-O 3.31Å; P589-L627 WeakPolarHBondContact CB-O 3.46Å; P589-L627 CarbonylContact O-C 3.53Å; P589-L627 VanDerWaalsContact O-C 3.27Å; Q590-L627 HydrophobicContact CG-CD2 4.43Å; P625-L627 HydrophobicContact CB-CD2 4.42Å; P625-L627 HydrophobicContact CB-CG 4.25Å
628	G	95.8	Very high	93.5	Very high	32 Å²	32	62.3 Å²	62.3	33%	0.33	34%	0.341	S	S	.	.			trans	83.9	-172.5	179.8	0	0	0	0	0	114.8	P589 D626	P589-G628 VanDerWaalsContact O-CA 3.23Å; P589-G628 WeakPolarHBondContact O-CA 3.21Å; P589-G628 PolarHBondContact O-N 3.45Å; D626-G628 PolarHBondContact OD1-N 2.65Å
629	M	95.5	Very high	93.5	Very high	149 Å²	149	60.8 Å²	60.8	73%	0.734	34%	0.338	S	S	*	.	S	Bend	trans	-70.6	133.3	-179.1	-73	-176.4	66.2	0	0	111.4	L285 H286	L285-M629 WeakPolarHBondContact CB-O 3.32Å; L285-M629 HydrophobicContact CD2-CB 3.86Å; H286-M629 PolarHBondContact N-O 2.59Å
630	A	95.4	Very high	93.3	Very high	62 Å²	62	64.8 Å²	64.8	51%	0.512	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	150.1	-176.7	0	0	0	0	0	113.9	H286 V288	H286-A630 CarbonylContact O-C 3.59Å; H286-A630 WeakPolarHBondContact O-CA 3.37Å; V288-A630 HydrophobicContact CG1-CB 3.89Å; V288-A630 HydrophobicContact CG2-CB 3.97Å
631	V	96.1	Very high	93	Very high	53 Å²	53	67.4 Å²	67.4	32%	0.321	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	139.9	171.5	67.5	0	0	0	0	110.2	L285 H286 H287 V288	L285-V631 HydrophobicContact CB-CB 3.76Å; L285-V631 HydrophobicContact CB-CG1 3.54Å; L285-V631 HydrophobicContact CD1-CB 3.84Å; L285-V631 HydrophobicContact CD1-CG1 4.43Å; L285-V631 HydrophobicContact CD1-CG2 4.25Å; L285-V631 HydrophobicContact CG-CB 4.46Å; H286-V631 PolarHBondContact O-N 3.04Å; H287-V631 WeakPolarHBondContact CA-O 3.41Å; V288-V631 WeakPolarHBondContact CG2-O 3.36Å; V288-V631 PolarHBondContact N-O 3.45Å
632	D	93	Very high	92.6	Very high	71 Å²	71	71.9 Å²	71.9	38%	0.38	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	133.9	179.3	-157.8	-50.7	0	0	0	111.8	V288 Q634	V288-D632 CarbonylContact O-C 3.52Å; V288-D632 VanDerWaalsContact O-CA 3.29Å; V288-D632 WeakPolarHBondContact O-CA 3.44Å; D632-Q634 PolarHBondContact O-N 2.71Å
633	I	86.9	Confident	92.2	Very high	21 Å²	21	73.6 Å²	73.6	11%	0.108	41%	0.413	C	S	.	.			trans	-84	86.5	171.2	61.6	-173.5	0	0	0	110.2	G277 W278 H287 V288 L289	G277-I633 WeakPolarHBondContact O-CD1 3.33Å; W278-I633 HydrophobicContact CB-CD1 3.62Å; W278-I633 HydrophobicContact CB-CG2 3.94Å; W278-I633 HydrophobicContact CG-CD1 4.5Å; W278-I633 HydrophobicContact CG-CG2 4.44Å; H287-I633 HydrophobicContact CB-CG2 3.57Å; H287-I633 WeakPolarHBondContact CD2-CG2 3.28Å; V288-I633 WeakPolarHBondContact O-CG1 3.33Å; V288-I633 PolarHBondContact O-N 3.27Å; L289-I633 HydrophobicContact CB-CD1 3.88Å; L289-I633 HydrophobicContact CB-CG1 3.85Å; L289-I633 HydrophobicContact CD1-CG1 4.14Å
634	Q	59.1	Low	91.9	Very high	204 Å²	204	72.5 Å²	72.5	95%	0.953	42%	0.415	S	S	*	.			trans	-67.1	0	-177.8	-70.6	-169.2	-11.1	0	0	114.7	K251 D632	K251-Q634 PolarHBondContact NZ-OXT 3.49Å; D632-Q634 PolarHBondContact O-N 2.71Å

Retrieved 634 of 634 residues in 1860.7 ms (Link to these results)

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