A0A087Y7T6_POEFO Loading...

Acyl-coenzyme A thioesterase 1-like

AlphaFold DB , UniProt , Accession A0A087Y7T6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 441 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	K	42.4	Very low	35.3	Very low	257 Å²	257	163.3 Å²	163.3	100%	1.117	83%	0.827	S	S	*	*				0	100.6	0	-92.1	179.4	174.7	176.3	0	108.5
2	L	33.9	Very low	35.1	Very low	164 Å²	164	165.7 Å²	165.7	86%	0.859	83%	0.828	S	S	*	*			trans	161.6	117.4	136.6	-110.4	75.5	0	0	0	108
3	Y	34.8	Very low	34.9	Very low	232 Å²	232	166.2 Å²	166.2	91%	0.91	82%	0.822	S	S	*	*			trans	-72.7	133.3	165.5	-82.3	-103.7	0	0	0	108.6
4	S	33.4	Very low	35	Very low	115 Å²	115	162.7 Å²	162.7	80%	0.804	82%	0.818	S	S	*	*			trans	-130.8	113.9	163.2	-89.8	0	0	0	0	110.2
5	I	36.6	Very low	35.1	Very low	150 Å²	150	165.4 Å²	165.4	77%	0.769	82%	0.823	S	S	*	*			trans	-68.2	127.3	175.8	-68.2	159.5	0	0	0	109	L7	I5-L7 HydrophobicContact CG2-CD1 4.32Å
6	V	36.6	Very low	35.2	Very low	136 Å²	136	167.1 Å²	167.1	82%	0.824	82%	0.823	S	S	*	*			trans	-90.9	110.5	169.6	176.7	0	0	0	0	108.4
7	L	34.5	Very low	35.2	Very low	145 Å²	145	166.5 Å²	166.5	76%	0.759	82%	0.823	S	S	*	*			trans	-83.6	118	176.5	-140.4	88.1	0	0	0	109.5	I5 K9	I5-L7 HydrophobicContact CG2-CD1 4.32Å; L7-K9 PolarHBondContact O-N 3.14Å
8	L	32.5	Very low	35.3	Very low	157 Å²	157	165.6 Å²	165.6	82%	0.822	82%	0.82	S	S	*	*			trans	-74.7	105.5	175.5	-145.3	86.3	0	0	0	109.6	V10	L8-V10 PolarHBondContact O-N 2.92Å
9	K	33.8	Very low	35.3	Very low	188 Å²	188	166.6 Å²	166.6	82%	0.817	82%	0.82	S	S	*	*			trans	-80.8	103.9	170.1	-90.2	-177.1	175.2	177.4	0	109.8	L7 L11	L7-K9 PolarHBondContact O-N 3.14Å; K9-L11 PolarHBondContact O-N 2.89Å
10	V	36.2	Very low	35.4	Very low	110 Å²	110	162.4 Å²	162.4	67%	0.667	81%	0.812	S	S	*	*			trans	-75.7	108.3	165.4	177.4	0	0	0	0	108.2	L8 F12	L8-V10 PolarHBondContact O-N 2.92Å; V10-F12 HydrophobicContact CG1-CD2 4.15Å; V10-F12 HydrophobicContact CG1-CE2 4.36Å; V10-F12 PolarHBondContact O-N 2.85Å
11	L	33.6	Very low	35.5	Very low	142 Å²	142	163.5 Å²	163.5	74%	0.743	82%	0.815	S	S	*	*			trans	-78.2	104.5	170.8	-85.2	154.4	0	0	0	109.3	K9 F13	K9-L11 PolarHBondContact O-N 2.89Å; L11-F13 HydrophobicContact CB-CE2 4.46Å; L11-F13 PolarHBondContact O-N 2.84Å
12	F	33	Very low	35.4	Very low	192 Å²	192	159 Å²	159	84%	0.842	80%	0.8	S	S	*	*			trans	-73.3	105.7	166.5	-103.3	-96.5	0	0	0	109.4	V10	V10-F12 HydrophobicContact CG1-CD2 4.15Å; V10-F12 HydrophobicContact CG1-CE2 4.36Å; V10-F12 PolarHBondContact O-N 2.85Å
13	F	32.4	Very low	36	Very low	172 Å²	172	156.3 Å²	156.3	75%	0.754	80%	0.795	S	S	*	*			trans	-85.2	124.1	162.4	-84	-89.5	0	0	0	109	L11 K15	L11-F13 HydrophobicContact CB-CE2 4.46Å; L11-F13 PolarHBondContact O-N 2.84Å; F13-K15 PolarHBondContact O-N 3.35Å; F13-K15 VanDerWaalsContact O-N 3.14Å
14	P	36.3	Very low	37.2	Very low	118 Å²	118	150.8 Å²	150.8	77%	0.766	78%	0.781	S	S	*	*			trans	-69.3	114.3	171	27.4	-30.2	0	0	0	108.5	K16	P14-K16 PolarHBondContact O-N 2.81Å
15	K	36.8	Very low	39.8	Very low	203 Å²	203	152 Å²	152	88%	0.883	77%	0.774	S	S	*	*			trans	-58.4	100.2	165	-80.6	-178.8	176.1	178.2	0	107.6	F13 L17	F13-K15 PolarHBondContact O-N 3.35Å; F13-K15 VanDerWaalsContact O-N 3.14Å; K15-L17 PolarHBondContact O-N 3.46Å
16	K	36.2	Very low	42.7	Very low	192 Å²	192	145.8 Å²	145.8	84%	0.835	74%	0.743	S	S	*	*			trans	-56.9	108.5	159.5	-93.1	-178	175.5	178.7	0	106.3	P14 I18	P14-K16 PolarHBondContact O-N 2.81Å; K16-I18 PolarHBondContact O-N 2.75Å
17	L	36.2	Very low	45.5	Very low	157 Å²	157	145.5 Å²	145.5	82%	0.822	73%	0.727	S	S	*	*			trans	-63.7	92.1	165.7	-141.4	89.4	0	0	0	105.9	K15 K19	K15-L17 PolarHBondContact O-N 3.46Å; L17-K19 PolarHBondContact O-N 3.44Å
18	I	36.8	Very low	48.5	Very low	150 Å²	150	139.4 Å²	139.4	77%	0.769	70%	0.695	S	S	*	*			trans	-67.1	94.5	163.6	-61.4	174.8	0	0	0	103.9	K16 A20	K16-I18 PolarHBondContact O-N 2.75Å; I18-A20 VanDerWaalsContact C-N 3.25Å; I18-A20 PolarHBondContact O-N 2.94Å
19	K	35.3	Very low	51.6	Low	186 Å²	186	138.2 Å²	138.2	81%	0.809	68%	0.68	S	S	*	*			trans	-56.1	104.3	157	-103.8	-179.3	175	178.3	0	104.2	L17 Q21	L17-K19 PolarHBondContact O-N 3.44Å; K19-Q21 PolarHBondContact O-N 3.19Å
20	A	35.8	Very low	54.7	Low	82 Å²	82	130 Å²	130	68%	0.678	65%	0.645	S	S	*	*			trans	-55.5	101.2	162.3	0	0	0	0	0	105.2	I18 M22	I18-A20 VanDerWaalsContact C-N 3.25Å; I18-A20 PolarHBondContact O-N 2.94Å; A20-M22 PolarHBondContact O-N 2.96Å
21	Q	38.3	Very low	57.6	Low	186 Å²	186	128.1 Å²	128.1	87%	0.869	63%	0.63	S	S	*	*			trans	-65.9	91.9	167.5	-161.1	172.3	-0.3	0	0	103.2	K19 S23	K19-Q21 PolarHBondContact O-N 3.19Å; Q21-S23 VanDerWaalsContact C-N 3.28Å; Q21-S23 PolarHBondContact O-N 3.48Å
22	M	40.7	Very low	60.5	Low	162 Å²	162	127.1 Å²	127.1	80%	0.798	63%	0.633	S	S	*	*			trans	-55.3	108.3	165.3	-71.5	-152.2	-148.5	0	0	104.2	A20 N24	A20-M22 PolarHBondContact O-N 2.96Å; M22-N24 PolarHBondContact O-N 3.06Å
23	S	45.9	Very low	63.5	Low	108 Å²	108	120.5 Å²	120.5	76%	0.755	61%	0.61	S	S	*	*			trans	-51.9	102.2	160.5	158.6	0	0	0	0	105	Q21 Q25	Q21-S23 VanDerWaalsContact C-N 3.28Å; Q21-S23 PolarHBondContact O-N 3.48Å; S23-Q25 PolarHBondContact O-N 3.18Å
24	N	60.4	Low	66.5	Low	116 Å²	116	114.3 Å²	114.3	62%	0.62	59%	0.591	S	S	*	*			trans	-69.7	87.8	171.3	-92.9	-11.4	0	0	0	105.1	M22 V26	M22-N24 PolarHBondContact O-N 3.06Å; N24-V26 PolarHBondContact O-N 3.26Å
25	Q	88.3	Confident	69.5	Low	139 Å²	139	115.8 Å²	115.8	65%	0.65	58%	0.581	S	S	*	*			trans	-50.5	128.4	171.3	-173.5	179.2	8.5	0	0	107.7	S23 R27	S23-Q25 PolarHBondContact O-N 3.18Å; Q25-R27 WeakPolarHBondContact O-CG 3.44Å; Q25-R27 PolarHBondContact O-N 3.24Å
26	V	96.1	Very high	72.4	Confident	20 Å²	20	107 Å²	107	12%	0.121	55%	0.545	C	S	.	.			trans	-59.4	132.5	176.7	178	0	0	0	0	108.2	N24 V46 A47 L49 L139 A140	N24-V26 PolarHBondContact O-N 3.26Å; V26-V46 HydrophobicContact CG1-CG1 3.75Å; V26-A47 CarbonylContact C-O 3.6Å; V26-A47 WeakPolarHBondContact CA-O 3.34Å; V26-L49 HydrophobicContact CG1-CD2 3.81Å; V26-L49 HydrophobicContact CG1-CG 4.43Å; V26-L49 HydrophobicContact CG2-CD2 3.86Å; V26-L139 HydrophobicContact CB-CB 4.03Å; V26-L139 HydrophobicContact CG1-CB 3.99Å; V26-L139 HydrophobicContact CG1-CD1 4.46Å; V26-L139 HydrophobicContact CG2-CB 4.24Å; V26-L139 HydrophobicContact CG2-CD1 4.23Å; V26-L139 HydrophobicContact CG2-CD2 4.44Å; V26-A140 HydrophobicContact CG1-CB 4.21Å
27	R	96.9	Very high	75.3	Confident	131 Å²	131	98.6 Å²	98.6	49%	0.494	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	129.3	-178.5	-64	176.5	-169.9	168.1	-1.5	109.6	Q25 V46 A47	Q25-R27 WeakPolarHBondContact O-CG 3.44Å; Q25-R27 PolarHBondContact O-N 3.24Å; R27-V46 CarbonylContact O-C 3.55Å; R27-V46 VanDerWaalsContact O-CA 3.32Å; R27-V46 WeakPolarHBondContact O-CA 3.47Å; R27-A47 PolarHBondContact N-O 3.28Å; R27-A47 PolarHBondContact O-N 2.77Å
28	L	97.9	Very high	78.3	Confident	16 Å²	16	91.2 Å²	91.2	8%	0.084	47%	0.47	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.2	170	-177	62.8	0	0	0	108.5	L44 K45 V46 M57 F129 V131 A140 V142	L28-L44 HydrophobicContact CD1-CD1 3.69Å; L28-L44 HydrophobicContact CD1-CD2 4.28Å; L28-L44 HydrophobicContact CD1-CG 3.78Å; L28-L44 HydrophobicContact CG-CD1 4.1Å; L28-K45 CarbonylContact C-O 3.57Å; L28-K45 WeakPolarHBondContact CA-O 3.37Å; L28-V46 HydrophobicContact CD1-CG2 3.84Å; L28-M57 HydrophobicContact CD1-CE 3.6Å; L28-F129 HydrophobicContact CD2-CB 3.83Å; L28-F129 WeakPolarHBondContact CD2-O 3.44Å; L28-V131 HydrophobicContact CB-CG2 4.38Å; L28-V131 HydrophobicContact CD1-CG2 3.86Å; L28-V131 HydrophobicContact CD2-CG2 4.13Å; L28-V131 HydrophobicContact CG-CG2 4.37Å; L28-A140 HydrophobicContact CB-CB 4Å; L28-V142 HydrophobicContact CB-CG1 4.44Å; L28-V142 HydrophobicContact CD2-CB 4.28Å; L28-V142 HydrophobicContact CD2-CG1 3.59Å; L28-V142 HydrophobicContact CG-CB 4.34Å; L28-V142 HydrophobicContact CG-CG1 3.66Å
29	R	97.7	Very high	81.2	Confident	133 Å²	133	84.5 Å²	84.5	50%	0.502	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	139.9	-176.8	-67.2	-179.2	177.7	167.8	-3.3	111.3	L44 K45	R29-L44 WeakPolarHBondContact O-CA 3.27Å; R29-K45 PolarHBondContact N-O 3.13Å; R29-K45 PolarHBondContact O-N 2.97Å
30	L	97.8	Very high	84.2	Confident	16 Å²	16	78.6 Å²	78.6	8%	0.084	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	130	169.5	-70	166.5	0	0	0	108.9	A34 I42 Q43 L44 F129 V142 K143 N144	L30-A34 HydrophobicContact CD1-CB 4.23Å; L30-I42 HydrophobicContact CD2-CB 4.4Å; L30-I42 HydrophobicContact CD2-CD1 3.54Å; L30-Q43 WeakPolarHBondContact CA-O 3.5Å; L30-L44 HydrophobicContact CD2-CD1 3.43Å; L30-L44 VanDerWaalsContact CD2-CD1 3.43Å; L30-L44 HydrophobicContact CG-CD1 4.09Å; L30-F129 HydrophobicContact CD2-CD2 4.17Å; L30-F129 HydrophobicContact CD2-CE2 4.21Å; L30-V142 HydrophobicContact CD1-CB 4.43Å; L30-V142 HydrophobicContact CD1-CG1 3.74Å; L30-V142 HydrophobicContact CD1-CG2 3.83Å; L30-V142 HydrophobicContact CD2-CG1 4.49Å; L30-V142 HydrophobicContact CG-CG1 3.76Å; L30-V142 HydrophobicContact CG-CG2 4.27Å; L30-K143 WeakPolarHBondContact CD1-O 3.37Å; L30-N144 HydrophobicContact CD1-CB 3.68Å
31	L	97.4	Very high	87.1	Confident	69 Å²	69	78.8 Å²	78.8	36%	0.361	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	147	174.1	-60.1	172.7	0	0	0	110.4	S33 Q43 K45	L31-S33 VanDerWaalsContact C-N 3.32Å; L31-Q43 HydrophobicContact CB-CB 4.19Å; L31-Q43 PolarHBondContact N-O 3.4Å; L31-Q43 PolarHBondContact O-N 2.99Å; L31-K45 HydrophobicContact CD1-CD 4.26Å
32	P	95.3	Very high	89.9	Confident	122 Å²	122	70.4 Å²	70.4	79%	0.792	37%	0.367	S	S	*	.	S	Bend	cis	-75.4	-16.5	-3.4	31.9	-35.6	0	0	0	113.5
33	S	95.5	Very high	92.6	Very high	53 Å²	53	65.3 Å²	65.3	37%	0.371	34%	0.341	S	S	.	.			trans	-149.7	157.7	-175	175.9	0	0	0	0	111.1	L31 R35	L31-S33 VanDerWaalsContact C-N 3.32Å; S33-R35 WeakPolarHBondContact CB-O 3.47Å; S33-R35 PolarHBondContact O-N 2.98Å; S33-R35 PolarHBondContact OG-N 3.37Å; S33-R35 PolarHBondContact OG-O 2.97Å; S33-R35 VanDerWaalsContact OG-O 3.11Å
34	A	96	Very high	95.1	Very high	41 Å²	41	60.4 Å²	60.4	34%	0.339	31%	0.306	S	S	.	.	S	Bend	trans	-71.4	-13.8	168.4	0	0	0	0	0	112.8	L30 N144 E145	L30-A34 HydrophobicContact CD1-CB 4.23Å; A34-N144 CarbonylContact O-C 3.45Å; A34-N144 VanDerWaalsContact O-CA 3.27Å; A34-N144 WeakPolarHBondContact O-CA 3.48Å; A34-N144 PolarHBondContact O-ND2 3.37Å; A34-E145 PolarHBondContact O-N 2.86Å
35	R	97.9	Very high	96.9	Very high	149 Å²	149	58.1 Å²	58.1	56%	0.562	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.6	127.2	-179.5	-55.2	179.2	74.6	-150	-9.4	108.9	S33 E145 F147	S33-R35 WeakPolarHBondContact CB-O 3.47Å; S33-R35 PolarHBondContact O-N 2.98Å; S33-R35 PolarHBondContact OG-N 3.37Å; S33-R35 PolarHBondContact OG-O 2.97Å; S33-R35 VanDerWaalsContact OG-O 3.11Å; R35-E145 WeakPolarHBondContact CA-O 3.19Å; R35-E145 WeakPolarHBondContact CD-OE2 3.46Å; R35-E145 HydrophobicContact CG-CB 4.25Å; R35-E145 WeakPolarHBondContact CG-OE2 3.46Å; R35-E145 IonicContact CZ-OE2 3.98Å; R35-E145 IonicContact NE-OE2 3.79Å; R35-E145 PolarHBondContact NE-OE2 2.71Å; R35-F147 HydrophobicContact CB-CE2 4.08Å; R35-F147 HydrophobicContact CG-CE2 4.39Å
36	C	97.9	Very high	97.4	Very high	18 Å²	18	51.6 Å²	51.6	12%	0.122	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	172.5	179.8	65.4	0	0	0	0	111.1	E40 E145 R146 F147	C36-E40 HydrophobicContact CB-CB 4.31Å; C36-E145 PolarHBondContact N-O 2.8Å; C36-R146 CarbonylContact O-C 3.18Å; C36-R146 WeakPolarHBondContact O-CA 3.43Å; C36-R146 PolarHBondContact SG-NH1 3.3Å; C36-F147 PolarHBondContact O-N 2.99Å
37	L	98.3	Very high	97.5	Very high	17 Å²	17	51.8 Å²	51.8	9%	0.089	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	155.1	167.1	-67.9	176.2	0	0	0	111.3	D39 E40 F147 L196	L37-D39 VanDerWaalsContact CB-OD1 3.29Å; L37-D39 WeakPolarHBondContact CB-OD1 3.33Å; L37-D39 PolarHBondContact O-N 3.2Å; L37-E40 HydrophobicContact CB-CB 4.35Å; L37-E40 HydrophobicContact CB-CG 3.89Å; L37-E40 PolarHBondContact N-OE2 2.91Å; L37-E40 VanDerWaalsContact N-OE2 3.11Å; L37-E40 PolarHBondContact O-N 2.82Å; L37-E40 VanDerWaalsContact O-N 3.13Å; L37-F147 CarbonylContact C-O 3.6Å; L37-F147 WeakPolarHBondContact CA-O 3.31Å; L37-F147 HydrophobicContact CD2-CB 4.4Å; L37-L196 HydrophobicContact CB-CD2 4.44Å
38	F	98.2	Very high	97.5	Very high	1 Å²	1	46.8 Å²	46.8	0%	0.004	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-35.3	-179.5	-174	-81.2	0	0	0	112.6	E40 F116 K118 H125 R146 F147 L148 L196 P385	F38-E40 VanDerWaalsContact C-N 3.32Å; F38-F116 HydrophobicContact CE2-CE1 4.11Å; F38-F116 HydrophobicContact CZ-CE1 4.1Å; F38-K118 HydrophobicContact CE2-CG 4.38Å; F38-H125 HydrophobicContact CD2-CB 4.18Å; F38-H125 HydrophobicContact CE2-CB 4.22Å; F38-H125 AromaticContact CE2-CD2 3.73Å; F38-R146 HydrophobicContact CB-CB 4.47Å; F38-R146 HydrophobicContact CD2-CB 4.18Å; F38-R146 PolarHBondContact O-NH2 3.31Å; F38-F147 PolarHBondContact N-O 2.95Å; F38-L148 HydrophobicContact CB-CD2 3.67Å; F38-L148 HydrophobicContact CD2-CD2 4.22Å; F38-L148 HydrophobicContact CG-CD2 3.9Å; F38-L196 HydrophobicContact CB-CD1 4.48Å; F38-L196 HydrophobicContact CB-CD2 4.23Å; F38-P385 WeakPolarHBondContact CE1-O 3.32Å
39	D	97.8	Very high	97.5	Very high	10 Å²	10	46.7 Å²	46.7	5%	0.053	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	8.7	179	69.8	-27.7	0	0	0	113.6	L37 L196 R200 P385 F386 W419	L37-D39 VanDerWaalsContact CB-OD1 3.29Å; L37-D39 WeakPolarHBondContact CB-OD1 3.33Å; L37-D39 PolarHBondContact O-N 3.2Å; D39-L196 HydrophobicContact CB-CD1 4.22Å; D39-L196 HydrophobicContact CB-CD2 4.29Å; D39-R200 IonicContact OD1-CZ 3.14Å; D39-R200 IonicContact OD1-NH2 2.75Å; D39-R200 PolarHBondContact OD1-NH2 3.27Å; D39-R200 IonicContact OD2-CZ 2.82Å; D39-R200 IonicContact OD2-NE 3.72Å; D39-R200 PolarHBondContact OD2-NE 2.88Å; D39-R200 IonicContact OD2-NH2 3.62Å; D39-R200 PolarHBondContact OD2-NH2 2.98Å; D39-P385 HydrophobicContact CB-CG 3.9Å; D39-F386 WeakPolarHBondContact O-CE2 3.34Å; D39-W419 PolarHBondContact OD2-NE1 3.26Å
40	E	97.6	Very high	97.4	Very high	62 Å²	62	47.9 Å²	47.9	29%	0.29	26%	0.257	S	S	.	.	S	Bend	trans	-100.3	135.2	-179.2	-77.1	175.6	171.5	0	0	112.8	C36 L37 F38 R146 R200	C36-E40 HydrophobicContact CB-CB 4.31Å; L37-E40 HydrophobicContact CB-CB 4.35Å; L37-E40 HydrophobicContact CB-CG 3.89Å; L37-E40 PolarHBondContact N-OE2 2.91Å; L37-E40 VanDerWaalsContact N-OE2 3.11Å; L37-E40 PolarHBondContact O-N 2.82Å; L37-E40 VanDerWaalsContact O-N 3.13Å; F38-E40 VanDerWaalsContact C-N 3.32Å; E40-R146 PolarHBondContact O-NH2 2.85Å; E40-R200 IonicContact OE1-CZ 2.55Å; E40-R200 IonicContact OE1-NH1 3.64Å; E40-R200 PolarHBondContact OE1-NH1 3.1Å; E40-R200 IonicContact OE1-NH2 2.71Å; E40-R200 PolarHBondContact OE1-NH2 3.28Å
41	P	97.3	Very high	97.4	Very high	85 Å²	85	50.7 Å²	50.7	55%	0.552	28%	0.278	S	S	*	.			trans	-67	150.2	176.2	30.7	-34.8	0	0	0	110.9	M101 F386	P41-M101 HydrophobicContact CB-SD 4.16Å; P41-F386 HydrophobicContact CB-CE2 4.32Å; P41-F386 HydrophobicContact CB-CZ 4.19Å
42	I	97.3	Very high	97.4	Very high	11 Å²	11	52.9 Å²	52.9	6%	0.056	29%	0.285	C	S	.	.			trans	-119.3	150.5	169.8	52.7	162.7	0	0	0	108.8	L30 M101 L104 F129	L30-I42 HydrophobicContact CD2-CB 4.4Å; L30-I42 HydrophobicContact CD2-CD1 3.54Å; I42-M101 HydrophobicContact CG1-CE 4.07Å; I42-M101 HydrophobicContact CG1-SD 3.81Å; I42-M101 PolarHBondContact N-SD 2.89Å; I42-M101 VanDerWaalsContact N-SD 3.36Å; I42-L104 HydrophobicContact CD1-CD1 4.28Å; I42-L104 HydrophobicContact CG1-CD1 4.38Å; I42-F129 HydrophobicContact CD1-CE2 3.65Å; I42-F129 HydrophobicContact CD1-CZ 3.62Å
43	Q	98	Very high	97.5	Very high	55 Å²	55	47.9 Å²	47.9	26%	0.257	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	125.3	168.3	179	176.6	39.5	0	0	109.4	L30 L31 K45 D84	L30-Q43 WeakPolarHBondContact CA-O 3.5Å; L31-Q43 HydrophobicContact CB-CB 4.19Å; L31-Q43 PolarHBondContact N-O 3.4Å; L31-Q43 PolarHBondContact O-N 2.99Å; Q43-K45 HydrophobicContact CG-CG 4.14Å; Q43-D84 VanDerWaalsContact NE2-CG 3.33Å; Q43-D84 PolarHBondContact NE2-OD1 3.34Å; Q43-D84 PolarHBondContact NE2-OD2 3.34Å
44	L	98	Very high	97.6	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	121.8	179.9	-163.6	69	0	0	0	109.5	L28 R29 L30 M57 L85 L103 F129 V142	L28-L44 HydrophobicContact CD1-CD1 3.69Å; L28-L44 HydrophobicContact CD1-CD2 4.28Å; L28-L44 HydrophobicContact CD1-CG 3.78Å; L28-L44 HydrophobicContact CG-CD1 4.1Å; R29-L44 WeakPolarHBondContact O-CA 3.27Å; L30-L44 HydrophobicContact CD2-CD1 3.43Å; L30-L44 VanDerWaalsContact CD2-CD1 3.43Å; L30-L44 HydrophobicContact CG-CD1 4.09Å; L44-M57 HydrophobicContact CD2-CE 3.23Å; L44-M57 HydrophobicContact CG-CE 3.77Å; L44-L85 HydrophobicContact CB-CB 4.48Å; L44-L85 HydrophobicContact CB-CD1 4.23Å; L44-L85 HydrophobicContact CB-CD2 4.15Å; L44-L85 HydrophobicContact CB-CG 4.49Å; L44-L85 HydrophobicContact CD2-CD1 4.42Å; L44-L85 HydrophobicContact CD2-CD2 3.91Å; L44-L85 HydrophobicContact CG-CD1 4.48Å; L44-L85 WeakPolarHBondContact O-CD1 3.43Å; L44-L85 PolarHBondContact O-N 2.72Å; L44-L85 VanDerWaalsContact O-N 3.16Å; L44-L103 HydrophobicContact CD2-CD1 3.75Å; L44-F129 HydrophobicContact CD1-CB 4.27Å; L44-F129 HydrophobicContact CD1-CD2 4.48Å; L44-F129 HydrophobicContact CD1-CG 4.22Å; L44-F129 HydrophobicContact CD2-CB 4.36Å; L44-F129 HydrophobicContact CD2-CD1 3.82Å; L44-F129 HydrophobicContact CD2-CE1 4.34Å; L44-F129 HydrophobicContact CD2-CG 4.18Å; L44-V142 HydrophobicContact CD1-CG1 4.4Å
45	K	98.4	Very high	97.7	Very high	69 Å²	69	44.4 Å²	44.4	30%	0.3	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	141.1	178.9	-59.5	-163.2	-174.9	-145.7	0	111.9	L28 R29 L31 Q43 I83 D84	L28-K45 CarbonylContact C-O 3.57Å; L28-K45 WeakPolarHBondContact CA-O 3.37Å; R29-K45 PolarHBondContact N-O 3.13Å; R29-K45 PolarHBondContact O-N 2.97Å; L31-K45 HydrophobicContact CD1-CD 4.26Å; Q43-K45 HydrophobicContact CG-CG 4.14Å; K45-I83 CarbonylContact C-O 3.46Å; K45-I83 VanDerWaalsContact CA-O 3.26Å; K45-I83 WeakPolarHBondContact CA-O 3.47Å; K45-D84 WeakPolarHBondContact CE-OD2 3Å; K45-D84 HydrophobicContact CG-CB 4.38Å; K45-D84 IonicContact NZ-OD2 3.02Å; K45-D84 PolarHBondContact NZ-OD2 3.37Å
46	V	98.4	Very high	97.7	Very high	2 Å²	2	38.5 Å²	38.5	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	136.6	171.2	-164.2	0	0	0	0	108.8	V26 R27 L28 L49 M57 E82 I83 V131	V26-V46 HydrophobicContact CG1-CG1 3.75Å; R27-V46 CarbonylContact O-C 3.55Å; R27-V46 VanDerWaalsContact O-CA 3.32Å; R27-V46 WeakPolarHBondContact O-CA 3.47Å; L28-V46 HydrophobicContact CD1-CG2 3.84Å; V46-L49 HydrophobicContact CB-CD1 4.29Å; V46-L49 HydrophobicContact CG1-CD1 3.79Å; V46-L49 HydrophobicContact CG1-CD2 4.32Å; V46-L49 HydrophobicContact CG1-CG 3.95Å; V46-M57 HydrophobicContact CG2-CE 3.67Å; V46-M57 HydrophobicContact CG2-SD 3.89Å; V46-E82 CarbonylContact O-C 3.55Å; V46-E82 VanDerWaalsContact O-CA 3.27Å; V46-E82 WeakPolarHBondContact O-CA 3.45Å; V46-I83 HydrophobicContact CB-CB 4.06Å; V46-I83 HydrophobicContact CG2-CB 4.17Å; V46-I83 PolarHBondContact N-O 3.18Å; V46-I83 PolarHBondContact O-N 3.38Å; V46-V131 HydrophobicContact CG1-CG1 4.37Å; V46-V131 HydrophobicContact CG1-CG2 4.04Å; V46-V131 HydrophobicContact CG2-CG2 3.75Å
47	A	98	Very high	97.8	Very high	24 Å²	24	37.7 Å²	37.7	20%	0.198	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	158.3	173.3	0	0	0	0	0	110.7	V26 R27 E82	V26-A47 CarbonylContact C-O 3.6Å; V26-A47 WeakPolarHBondContact CA-O 3.34Å; R27-A47 PolarHBondContact N-O 3.28Å; R27-A47 PolarHBondContact O-N 2.77Å; A47-E82 HydrophobicContact CB-CG 4.34Å
48	G	97.1	Very high	97.8	Very high	26 Å²	26	42.1 Å²	42.1	27%	0.268	21%	0.214	S	C	.	.	S	Bend	trans	86.1	15.3	178.9	0	0	0	0	0	114.3	G81	G48-G81 PolarHBondContact N-O 2.67Å
49	L	97.6	Very high	97.8	Very high	13 Å²	13	42.1 Å²	42.1	7%	0.068	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-77.1	164.2	171.2	-62.2	172.6	0	0	0	110.8	V26 V46 Q53 V55 A77 G81 I83 L139	V26-L49 HydrophobicContact CG1-CD2 3.81Å; V26-L49 HydrophobicContact CG1-CG 4.43Å; V26-L49 HydrophobicContact CG2-CD2 3.86Å; V46-L49 HydrophobicContact CB-CD1 4.29Å; V46-L49 HydrophobicContact CG1-CD1 3.79Å; V46-L49 HydrophobicContact CG1-CD2 4.32Å; V46-L49 HydrophobicContact CG1-CG 3.95Å; L49-Q53 HydrophobicContact CB-CB 4.28Å; L49-V55 HydrophobicContact CD1-CG1 4.14Å; L49-V55 HydrophobicContact CD1-CG2 3.98Å; L49-V55 HydrophobicContact CD2-CG1 3.73Å; L49-A77 HydrophobicContact CB-CB 4.02Å; L49-A77 HydrophobicContact CD1-CB 3.86Å; L49-G81 WeakPolarHBondContact CB-O 3.25Å; L49-G81 PolarHBondContact N-O 2.65Å; L49-G81 VanDerWaalsContact O-CA 3.31Å; L49-G81 WeakPolarHBondContact O-CA 3.34Å; L49-I83 HydrophobicContact CD1-CD1 3.43Å; L49-I83 VanDerWaalsContact CD1-CD1 3.43Å; L49-I83 HydrophobicContact CD1-CG1 4.01Å; L49-L139 HydrophobicContact CD2-CD1 3.81Å
50	R	96.4	Very high	97.8	Very high	159 Å²	159	47.7 Å²	47.7	60%	0.6	23%	0.234	S	C	*	.	P	Polyproline II helix	trans	-68.3	150.7	166.6	-56.7	-176.7	-68	-86.7	6	109.3	K52 Q53 E133	R50-K52 PolarHBondContact O-N 3.35Å; R50-Q53 HydrophobicContact CB-CB 4.07Å; R50-Q53 WeakPolarHBondContact O-CB 3.49Å; R50-Q53 PolarHBondContact O-N 2.85Å; R50-E133 IonicContact NH1-OE1 2.64Å; R50-E133 PolarHBondContact NH1-OE1 2.91Å; R50-E133 IonicContact NH2-OE1 3.48Å
51	S	96.9	Very high	97.8	Very high	75 Å²	75	44.9 Å²	44.9	52%	0.524	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	128.6	175.8	-163.9	0	0	0	0	110.3	Q53 G79	S51-Q53 PolarHBondContact O-N 3.32Å; S51-Q53 VanDerWaalsContact O-N 3.07Å; S51-G79 WeakPolarHBondContact CB-O 3.17Å; S51-G79 WeakPolarHBondContact OG-CA 3.3Å; S51-G79 PolarHBondContact OG-O 2.82Å
52	K	97.2	Very high	97.8	Very high	115 Å²	115	44 Å²	44	50%	0.5	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	15.4	-178.8	-51.7	-56.6	-174.9	178.8	0	116	R50 V54 R76 A77 D78	R50-K52 PolarHBondContact O-N 3.35Å; K52-V54 PolarHBondContact O-N 2.98Å; K52-R76 WeakPolarHBondContact O-CG 3.36Å; K52-R76 PolarHBondContact O-NH1 2.99Å; K52-R76 VanDerWaalsContact O-NH1 3.13Å; K52-A77 WeakPolarHBondContact CA-O 3.45Å; K52-A77 WeakPolarHBondContact CD-O 3.43Å; K52-D78 PolarHBondContact N-O 2.69Å; K52-D78 VanDerWaalsContact N-O 3.15Å
53	Q	97.3	Very high	97.7	Very high	17 Å²	17	44.1 Å²	44.1	8%	0.079	22%	0.215	C	C	.	.			trans	-59.4	136.5	175	-173	173.5	-2.2	0	0	110.6	L49 R50 S51 V55 R76 A77 E133	L49-Q53 HydrophobicContact CB-CB 4.28Å; R50-Q53 HydrophobicContact CB-CB 4.07Å; R50-Q53 WeakPolarHBondContact O-CB 3.49Å; R50-Q53 PolarHBondContact O-N 2.85Å; S51-Q53 PolarHBondContact O-N 3.32Å; S51-Q53 VanDerWaalsContact O-N 3.07Å; Q53-V55 HydrophobicContact CG-CG1 4.09Å; Q53-R76 WeakPolarHBondContact O-CA 3.21Å; Q53-A77 PolarHBondContact O-N 3.39Å; Q53-E133 PolarHBondContact NE2-OE1 2.92Å
54	V	98.1	Very high	97.5	Very high	20 Å²	20	44.9 Å²	44.9	12%	0.121	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	134.2	171.1	-178.6	0	0	0	0	108.6	K52 T74 Y75 R76 E134	K52-V54 PolarHBondContact O-N 2.98Å; V54-T74 HydrophobicContact CG1-CG2 3.38Å; V54-Y75 WeakPolarHBondContact CA-O 3.41Å; V54-R76 HydrophobicContact CG2-CB 4.43Å; V54-R76 HydrophobicContact CG2-CG 4.34Å; V54-E134 HydrophobicContact CB-CG 4.44Å; V54-E134 VanDerWaalsContact CB-OE1 3.28Å; V54-E134 WeakPolarHBondContact CB-OE1 3.39Å; V54-E134 HydrophobicContact CG1-CG 4.36Å; V54-E134 VanDerWaalsContact CG1-OE1 3.31Å; V54-E134 WeakPolarHBondContact CG1-OE1 3.27Å
55	V	98.3	Very high	97.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	153.1	178.3	-65.6	0	0	0	0	110.2	L49 Q53 T74 Y75 I83 V131 H132 L139	L49-V55 HydrophobicContact CD1-CG1 4.14Å; L49-V55 HydrophobicContact CD1-CG2 3.98Å; L49-V55 HydrophobicContact CD2-CG1 3.73Å; Q53-V55 HydrophobicContact CG-CG1 4.09Å; V55-T74 WeakPolarHBondContact O-CA 3.33Å; V55-Y75 PolarHBondContact N-O 3.35Å; V55-Y75 PolarHBondContact O-N 3.18Å; V55-I83 HydrophobicContact CG2-CD1 3.41Å; V55-I83 VanDerWaalsContact CG2-CD1 3.41Å; V55-V131 HydrophobicContact CB-CG1 3.7Å; V55-V131 HydrophobicContact CG1-CG1 4.05Å; V55-V131 HydrophobicContact CG2-CG1 3.75Å; V55-H132 WeakPolarHBondContact CA-O 3.34Å; V55-H132 WeakPolarHBondContact CB-O 3.25Å; V55-L139 HydrophobicContact CG1-CD1 3.96Å
56	T	98.5	Very high	97.1	Very high	26 Å²	26	51.7 Å²	51.7	16%	0.16	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	123.1	170.6	-58.3	0	0	0	0	109.6	R58 H132	T56-R58 HydrophobicContact CG2-CG 4.13Å; T56-H132 PolarHBondContact N-O 3.35Å; T56-H132 PolarHBondContact O-N 2.92Å
57	M	98.4	Very high	97	Very high	1 Å²	1	53 Å²	53	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	138.3	169	-60.7	-166.2	71.9	0	0	109.6	L28 L44 V46 S72 A73 Y75 L85 L103 S130 V131	L28-M57 HydrophobicContact CD1-CE 3.6Å; L44-M57 HydrophobicContact CD2-CE 3.23Å; L44-M57 HydrophobicContact CG-CE 3.77Å; V46-M57 HydrophobicContact CG2-CE 3.67Å; V46-M57 HydrophobicContact CG2-SD 3.89Å; M57-S72 CarbonylContact O-C 3.58Å; M57-S72 WeakPolarHBondContact O-CA 3.3Å; M57-A73 PolarHBondContact N-O 3.45Å; M57-A73 PolarHBondContact O-N 3.42Å; M57-Y75 HydrophobicContact CB-CD2 4.14Å; M57-Y75 HydrophobicContact CB-CE2 4.18Å; M57-Y75 HydrophobicContact CG-CD2 3.77Å; M57-Y75 HydrophobicContact CG-CE2 4.2Å; M57-Y75 HydrophobicContact SD-CD2 3.83Å; M57-Y75 HydrophobicContact SD-CE2 4.03Å; M57-Y75 HydrophobicContact SD-CG 4.46Å; M57-L85 HydrophobicContact CE-CD1 3.85Å; M57-L85 HydrophobicContact SD-CD1 3.32Å; M57-L85 WeakPolarHBondContact SD-CD1 3.5Å; M57-L85 HydrophobicContact SD-CD2 4.36Å; M57-L85 HydrophobicContact SD-CG 4.34Å; M57-L103 HydrophobicContact CB-CD1 3.95Å; M57-S130 CarbonylContact C-O 3.54Å; M57-S130 WeakPolarHBondContact CA-O 3.23Å; M57-V131 HydrophobicContact CE-CG2 4.09Å; M57-V131 HydrophobicContact CG-CG2 4.42Å
58	R	98.5	Very high	97	Very high	110 Å²	110	53.3 Å²	53.3	42%	0.415	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	145	178.7	-60.7	-175.2	-179.1	162.3	-0	110.4	T56 S71 F129 S130	T56-R58 HydrophobicContact CG2-CG 4.13Å; R58-S71 CarbonylContact C-O 3.58Å; R58-S71 VanDerWaalsContact CA-O 3.31Å; R58-S71 WeakPolarHBondContact CA-O 3.07Å; R58-F129 CarbonylContact O-C 3.6Å; R58-F129 VanDerWaalsContact O-CA 3.31Å; R58-F129 WeakPolarHBondContact O-CA 3.41Å; R58-S130 PolarHBondContact N-O 3.4Å; R58-S130 PolarHBondContact O-N 3.38Å
59	A	98.6	Very high	97	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.008	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.8	164.7	0	0	0	0	0	109.2	S70 S71 L103 M107 V127 N128 F129	A59-S70 CarbonylContact O-C 3.49Å; A59-S70 VanDerWaalsContact O-CA 3.23Å; A59-S70 WeakPolarHBondContact O-CA 3.47Å; A59-S71 PolarHBondContact N-O 2.77Å; A59-S71 PolarHBondContact O-N 2.91Å; A59-L103 HydrophobicContact CB-CB 3.91Å; A59-L103 VanDerWaalsContact CB-O 3.31Å; A59-L103 WeakPolarHBondContact CB-O 3.21Å; A59-M107 HydrophobicContact CB-SD 4.45Å; A59-V127 HydrophobicContact CB-CG1 4.03Å; A59-N128 CarbonylContact C-O 3.59Å; A59-N128 WeakPolarHBondContact CA-O 3.43Å; A59-F129 HydrophobicContact CB-CD1 3.79Å; A59-F129 HydrophobicContact CB-CE1 3.73Å
60	R	98.3	Very high	97.1	Very high	127 Å²	127	53.7 Å²	53.7	48%	0.479	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	133.9	176.8	-170	177	-172.4	-89.6	4	110.3	V68 F69 N128	R60-V68 HydrophobicContact CG-CG1 4.06Å; R60-F69 WeakPolarHBondContact CA-O 3.25Å; R60-N128 PolarHBondContact N-O 2.86Å; R60-N128 PolarHBondContact O-N 3.09Å
61	S	97.7	Very high	97.2	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.014	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	158.6	173.3	-174.9	0	0	0	0	111.4	V68 F69 H125 V126	S61-V68 CarbonylContact O-C 3.54Å; S61-V68 WeakPolarHBondContact O-CA 3.43Å; S61-F69 PolarHBondContact N-O 3.45Å; S61-F69 PolarHBondContact O-N 2.8Å; S61-H125 VanDerWaalsContact CB-CE1 3.4Å; S61-H125 WeakPolarHBondContact CB-CE1 3.34Å; S61-H125 PolarHBondContact OG-CE1 3.33Å; S61-H125 PolarHBondContact OG-ND1 2.98Å; S61-H125 VanDerWaalsContact OG-ND1 3.13Å; S61-V126 PolarHBondContact OG-O 3.35Å
62	T	96.9	Very high	97.2	Very high	66 Å²	66	44.6 Å²	44.6	41%	0.405	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	136.5	167	-58.4	0	0	0	0	109.1	G66 V67	T62-G66 VanDerWaalsContact CG2-C 3.48Å; T62-V67 CarbonylContact C-O 3.46Å; T62-V67 WeakPolarHBondContact CA-O 3.4Å
63	D	95.4	Very high	97.3	Very high	14 Å²	14	39.1 Å²	39.1	8%	0.075	21%	0.207	C	C	.	.			trans	-85.5	178.9	178.8	85.5	-10.5	0	0	0	112.3	K65 G66 V67 F69 F116 Q117	D63-K65 PolarHBondContact O-N 3.26Å; D63-K65 VanDerWaalsContact O-N 3.13Å; D63-K65 WeakPolarHBondContact OD1-CA 3.4Å; D63-K65 WeakPolarHBondContact OD1-CB 3.44Å; D63-K65 PolarHBondContact OD1-N 2.94Å; D63-G66 PolarHBondContact O-N 2.86Å; D63-G66 PolarHBondContact OD1-N 2.87Å; D63-G66 VanDerWaalsContact OD1-N 3.11Å; D63-V67 PolarHBondContact N-O 2.77Å; D63-V67 PolarHBondContact OD1-N 2.87Å; D63-F69 HydrophobicContact CB-CD2 4.41Å; D63-F69 HydrophobicContact CB-CE2 4.24Å; D63-F116 HydrophobicContact CB-CD2 3.61Å; D63-F116 HydrophobicContact CB-CE2 3.55Å; D63-F116 HydrophobicContact CB-CZ 4.44Å; D63-Q117 PolarHBondContact OD2-N 3.37Å
64	E	94.2	Very high	97.3	Very high	71 Å²	71	39.5 Å²	39.5	33%	0.332	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-8.3	-178.3	-67.8	177.1	165.7	0	0	114.1	Q117 K118 T119 N120	E64-Q117 PolarHBondContact N-O 3.49Å; E64-Q117 VanDerWaalsContact N-O 3.11Å; E64-K118 HydrophobicContact CG-CD 4.32Å; E64-K118 WeakPolarHBondContact OE1-CD 3.21Å; E64-K118 IonicContact OE1-NZ 3.86Å; E64-K118 PolarHBondContact OE1-NZ 2.92Å; E64-T119 PolarHBondContact OE2-N 2.87Å; E64-T119 PolarHBondContact OE2-OG1 2.9Å; E64-N120 WeakPolarHBondContact OE1-CB 3.42Å; E64-N120 PolarHBondContact OE1-N 3.14Å; E64-N120 PolarHBondContact OE2-N 3.05Å
65	K	92.7	Very high	97.4	Very high	162 Å²	162	38.5 Å²	38.5	70%	0.704	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.4	5.7	173.5	-63.7	-59.5	-172.3	-176.4	0	112.5	D63 V67 Q117	D63-K65 PolarHBondContact O-N 3.26Å; D63-K65 VanDerWaalsContact O-N 3.13Å; D63-K65 WeakPolarHBondContact OD1-CA 3.4Å; D63-K65 WeakPolarHBondContact OD1-CB 3.44Å; D63-K65 PolarHBondContact OD1-N 2.94Å; K65-V67 VanDerWaalsContact C-N 3.3Å; K65-V67 HydrophobicContact CB-CG2 4.42Å; K65-Q117 HydrophobicContact CG-CB 4.07Å; K65-Q117 HydrophobicContact CG-CG 3.8Å
66	G	94.8	Very high	97.4	Very high	54 Å²	54	44.4 Å²	44.4	56%	0.557	23%	0.227	S	C	*	.	S	Bend	trans	79.6	9.5	-179.4	0	0	0	0	0	113.9	T62 D63	T62-G66 VanDerWaalsContact CG2-C 3.48Å; D63-G66 PolarHBondContact O-N 2.86Å; D63-G66 PolarHBondContact OD1-N 2.87Å; D63-G66 VanDerWaalsContact OD1-N 3.11Å
67	V	96.3	Very high	97.4	Very high	30 Å²	30	43.2 Å²	43.2	18%	0.182	22%	0.219	C	C	.	.			trans	-82.2	130.4	178.7	-178.3	0	0	0	0	109.3	T62 D63 K65 F69 P109 K114	T62-V67 CarbonylContact C-O 3.46Å; T62-V67 WeakPolarHBondContact CA-O 3.4Å; D63-V67 PolarHBondContact N-O 2.77Å; D63-V67 PolarHBondContact OD1-N 2.87Å; K65-V67 VanDerWaalsContact C-N 3.3Å; K65-V67 HydrophobicContact CB-CG2 4.42Å; V67-F69 HydrophobicContact CB-CD2 4.45Å; V67-F69 HydrophobicContact CB-CE2 3.9Å; V67-F69 HydrophobicContact CG1-CD2 4.1Å; V67-F69 HydrophobicContact CG1-CE2 3.58Å; V67-F69 HydrophobicContact CG1-CZ 4.28Å; V67-P109 HydrophobicContact CG1-CB 4.01Å; V67-K114 HydrophobicContact CG1-CB 4.23Å; V67-K114 HydrophobicContact CG1-CG 4.35Å
68	V	97.3	Very high	97.3	Very high	30 Å²	30	44.5 Å²	44.5	18%	0.182	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	133.4	176.6	176.6	0	0	0	0	109.6	R60 S61 P109	R60-V68 HydrophobicContact CG-CG1 4.06Å; S61-V68 CarbonylContact O-C 3.54Å; S61-V68 WeakPolarHBondContact O-CA 3.43Å; V68-P109 WeakPolarHBondContact O-CA 3.46Å
69	F	98.3	Very high	97.3	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	137	172.9	-76.7	-103	0	0	0	109	R60 S61 D63 V67 M107 R108 P109 K114 F116 P388	R60-F69 WeakPolarHBondContact CA-O 3.25Å; S61-F69 PolarHBondContact N-O 3.45Å; S61-F69 PolarHBondContact O-N 2.8Å; D63-F69 HydrophobicContact CB-CD2 4.41Å; D63-F69 HydrophobicContact CB-CE2 4.24Å; V67-F69 HydrophobicContact CB-CD2 4.45Å; V67-F69 HydrophobicContact CB-CE2 3.9Å; V67-F69 HydrophobicContact CG1-CD2 4.1Å; V67-F69 HydrophobicContact CG1-CE2 3.58Å; V67-F69 HydrophobicContact CG1-CZ 4.28Å; F69-M107 HydrophobicContact CB-CB 4.11Å; F69-M107 HydrophobicContact CB-SD 4.32Å; F69-R108 CarbonylContact C-O 3.49Å; F69-R108 VanDerWaalsContact CA-O 3.32Å; F69-R108 WeakPolarHBondContact CA-O 3.34Å; F69-P109 HydrophobicContact CD1-CB 4.12Å; F69-P109 HydrophobicContact CD1-CG 4.43Å; F69-P109 HydrophobicContact CE1-CB 3.77Å; F69-P109 VanDerWaalsContact CE1-CD 3.47Å; F69-P109 HydrophobicContact CE1-CG 3.86Å; F69-P109 HydrophobicContact CE2-CB 4.23Å; F69-P109 HydrophobicContact CG-CB 4.49Å; F69-P109 HydrophobicContact CZ-CB 3.81Å; F69-P109 HydrophobicContact CZ-CG 4.19Å; F69-K114 HydrophobicContact CZ-CB 4.4Å; F69-F116 HydrophobicContact CD1-CB 4.41Å; F69-F116 AromaticContact CD2-CD2 3.89Å; F69-F116 HydrophobicContact CD2-CD2 3.89Å; F69-F116 HydrophobicContact CE1-CB 3.87Å; F69-F116 HydrophobicContact CE2-CB 4.2Å; F69-F116 HydrophobicContact CE2-CD2 4Å; F69-F116 HydrophobicContact CG-CD2 4.19Å; F69-F116 VanDerWaalsContact CZ-CA 3.45Å; F69-F116 HydrophobicContact CZ-CB 3.77Å; F69-F116 HydrophobicContact CZ-CD2 4.4Å; F69-P388 HydrophobicContact CD1-CB 4.07Å; F69-P388 HydrophobicContact CD1-CG 4.21Å; F69-P388 HydrophobicContact CE1-CB 4.4Å
70	S	98.1	Very high	97.2	Very high	44 Å²	44	45.7 Å²	45.7	31%	0.308	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	154.5	179.2	72.4	0	0	0	0	113.4	A59 M107 R108	A59-S70 CarbonylContact O-C 3.49Å; A59-S70 VanDerWaalsContact O-CA 3.23Å; A59-S70 WeakPolarHBondContact O-CA 3.47Å; S70-M107 CarbonylContact O-C 3.53Å; S70-M107 WeakPolarHBondContact O-CA 3.47Å; S70-R108 PolarHBondContact N-O 3.48Å; S70-R108 PolarHBondContact O-N 2.91Å
71	S	98.5	Very high	97.2	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.021	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	161.9	169.1	60.2	0	0	0	0	110.6	R58 A59 N94 L103 S106	R58-S71 CarbonylContact C-O 3.58Å; R58-S71 VanDerWaalsContact CA-O 3.31Å; R58-S71 WeakPolarHBondContact CA-O 3.07Å; A59-S71 PolarHBondContact N-O 2.77Å; A59-S71 PolarHBondContact O-N 2.91Å; S71-N94 WeakPolarHBondContact CA-OD1 3.25Å; S71-L103 WeakPolarHBondContact OG-CA 3.22Å; S71-L103 PolarHBondContact OG-O 3.47Å; S71-S106 WeakPolarHBondContact CB-OG 3.24Å
72	S	98.3	Very high	97.2	Very high	39 Å²	39	43.9 Å²	43.9	27%	0.273	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	149.8	175.6	63.6	0	0	0	0	111.3	M57 G93 N94	M57-S72 CarbonylContact O-C 3.58Å; M57-S72 WeakPolarHBondContact O-CA 3.3Å; S72-G93 WeakPolarHBondContact O-CA 3.4Å; S72-N94 PolarHBondContact N-OD1 2.84Å; S72-N94 PolarHBondContact O-N 3.44Å; S72-N94 PolarHBondContact O-OD1 3.06Å; S72-N94 PolarHBondContact OG-OD1 3.32Å
73	A	98.5	Very high	97.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	138.2	174.7	0	0	0	0	0	109.8	M57 Y75 S90 S92 Y95 L103	M57-A73 PolarHBondContact N-O 3.45Å; M57-A73 PolarHBondContact O-N 3.42Å; A73-Y75 HydrophobicContact CB-CD2 4.33Å; A73-Y75 HydrophobicContact CB-CE2 3.54Å; A73-Y75 WeakPolarHBondContact O-CD2 3.44Å; A73-S90 WeakPolarHBondContact CB-OG 3.47Å; A73-S92 CarbonylContact C-O 3.55Å; A73-S92 VanDerWaalsContact CA-O 3.31Å; A73-S92 WeakPolarHBondContact CA-O 3.43Å; A73-Y95 HydrophobicContact CB-CD1 4.26Å; A73-Y95 HydrophobicContact CB-CE1 3.56Å; A73-Y95 HydrophobicContact CB-CE2 4.11Å; A73-Y95 VanDerWaalsContact CB-CZ 3.47Å; A73-L103 HydrophobicContact CB-CD2 4.2Å
74	T	98.5	Very high	97.4	Very high	25 Å²	25	40.9 Å²	40.9	15%	0.153	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134.7	-178.5	-57.7	0	0	0	0	110.1	V54 V55 S90 L91 S92	V54-T74 HydrophobicContact CG1-CG2 3.38Å; V55-T74 WeakPolarHBondContact O-CA 3.33Å; T74-S90 CarbonylContact O-C 3.58Å; T74-S90 WeakPolarHBondContact O-CA 3.22Å; T74-L91 PolarHBondContact O-N 2.75Å; T74-S92 WeakPolarHBondContact CB-OG 3.41Å; T74-S92 PolarHBondContact N-O 3.48Å; T74-S92 PolarHBondContact OG1-OG 2.94Å
75	Y	98.6	Very high	97.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	156.3	-177.5	-70.4	-90.7	0	0	0	110.8	V54 V55 M57 A73 I83 L85 D88 Y95	V54-Y75 WeakPolarHBondContact CA-O 3.41Å; V55-Y75 PolarHBondContact N-O 3.35Å; V55-Y75 PolarHBondContact O-N 3.18Å; M57-Y75 HydrophobicContact CB-CD2 4.14Å; M57-Y75 HydrophobicContact CB-CE2 4.18Å; M57-Y75 HydrophobicContact CG-CD2 3.77Å; M57-Y75 HydrophobicContact CG-CE2 4.2Å; M57-Y75 HydrophobicContact SD-CD2 3.83Å; M57-Y75 HydrophobicContact SD-CE2 4.03Å; M57-Y75 HydrophobicContact SD-CG 4.46Å; A73-Y75 HydrophobicContact CB-CD2 4.33Å; A73-Y75 HydrophobicContact CB-CE2 3.54Å; A73-Y75 WeakPolarHBondContact O-CD2 3.44Å; Y75-I83 HydrophobicContact CD1-CG2 4.06Å; Y75-I83 HydrophobicContact CG-CG2 4.16Å; Y75-L85 HydrophobicContact CE1-CD1 4.47Å; Y75-L85 HydrophobicContact CE1-CG 4.07Å; Y75-L85 HydrophobicContact CE2-CD2 4.39Å; Y75-L85 HydrophobicContact CE2-CG 4.35Å; Y75-D88 WeakPolarHBondContact CE1-O 3.23Å; Y75-Y95 WeakPolarHBondContact OH-CE2 3.45Å; Y75-Y95 PolarHBondContact OH-OH 3.33Å
76	R	98.4	Very high	97.9	Very high	124 Å²	124	32.4 Å²	32.4	47%	0.468	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	125.3	172.1	-176.5	-178.9	-61	-80.6	1	109.3	K52 Q53 V54 L91	K52-R76 WeakPolarHBondContact O-CG 3.36Å; K52-R76 PolarHBondContact O-NH1 2.99Å; K52-R76 VanDerWaalsContact O-NH1 3.13Å; Q53-R76 WeakPolarHBondContact O-CA 3.21Å; V54-R76 HydrophobicContact CG2-CB 4.43Å; V54-R76 HydrophobicContact CG2-CG 4.34Å; R76-L91 HydrophobicContact CB-CD1 3.98Å
77	A	98.3	Very high	98	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.008	20%	0.201	C	C	.	.			trans	-61.4	153.2	175.5	0	0	0	0	0	111.9	L49 K52 Q53 E82 I83	L49-A77 HydrophobicContact CB-CB 4.02Å; L49-A77 HydrophobicContact CD1-CB 3.86Å; K52-A77 WeakPolarHBondContact CA-O 3.45Å; K52-A77 WeakPolarHBondContact CD-O 3.43Å; Q53-A77 PolarHBondContact O-N 3.39Å; A77-E82 CarbonylContact C-O 3.59Å; A77-E82 WeakPolarHBondContact CA-O 3.21Å; A77-I83 HydrophobicContact CB-CD1 4.37Å; A77-I83 HydrophobicContact CB-CG1 4.04Å
78	D	97.9	Very high	98.1	Very high	27 Å²	27	35.5 Å²	35.5	14%	0.144	20%	0.2	C	C	.	.			trans	-73.2	-171.7	172.5	64.5	26.2	0	0	0	112.4	K52 S80 G81 E82 R87	K52-D78 PolarHBondContact N-O 2.69Å; K52-D78 VanDerWaalsContact N-O 3.15Å; D78-S80 VanDerWaalsContact CG-OG 3.24Å; D78-S80 PolarHBondContact O-N 3.36Å; D78-S80 WeakPolarHBondContact OD1-CA 3.48Å; D78-S80 WeakPolarHBondContact OD1-CB 3.37Å; D78-S80 PolarHBondContact OD1-N 2.93Å; D78-S80 PolarHBondContact OD1-OG 3.19Å; D78-S80 PolarHBondContact OD2-OG 2.97Å; D78-G81 PolarHBondContact O-N 3.34Å; D78-G81 PolarHBondContact OD1-N 3.01Å; D78-G81 VanDerWaalsContact OD1-N 3.08Å; D78-E82 VanDerWaalsContact CG-O 3.31Å; D78-E82 PolarHBondContact N-O 3.01Å; D78-E82 PolarHBondContact OD1-N 2.87Å; D78-R87 IonicContact OD2-CZ 3.75Å; D78-R87 IonicContact OD2-NH1 2.65Å; D78-R87 IonicContact OD2-NH2 2.74Å; D78-R87 PolarHBondContact OD2-NH2 2.82Å
79	G	97.5	Very high	98.2	Very high	49 Å²	49	36.2 Å²	36.2	51%	0.505	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-28.7	179.3	0	0	0	0	0	113.2	S51	S51-G79 WeakPolarHBondContact CB-O 3.17Å; S51-G79 WeakPolarHBondContact OG-CA 3.3Å; S51-G79 PolarHBondContact OG-O 2.82Å
80	S	96.9	Very high	98.2	Very high	87 Å²	87	36.1 Å²	36.1	61%	0.608	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-4.6	178.4	30.6	0	0	0	0	114.1	D78	D78-S80 VanDerWaalsContact CG-OG 3.24Å; D78-S80 PolarHBondContact O-N 3.36Å; D78-S80 WeakPolarHBondContact OD1-CA 3.48Å; D78-S80 WeakPolarHBondContact OD1-CB 3.37Å; D78-S80 PolarHBondContact OD1-N 2.93Å; D78-S80 PolarHBondContact OD1-OG 3.19Å; D78-S80 PolarHBondContact OD2-OG 2.97Å
81	G	97.8	Very high	98.2	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	22%	0.216	C	C	.	.	S	Bend	trans	79.7	28.4	-176.6	0	0	0	0	0	113.2	G48 L49 D78	G48-G81 PolarHBondContact N-O 2.67Å; L49-G81 WeakPolarHBondContact CB-O 3.25Å; L49-G81 PolarHBondContact N-O 2.65Å; L49-G81 VanDerWaalsContact O-CA 3.31Å; L49-G81 WeakPolarHBondContact O-CA 3.34Å; D78-G81 PolarHBondContact O-N 3.34Å; D78-G81 PolarHBondContact OD1-N 3.01Å; D78-G81 VanDerWaalsContact OD1-N 3.08Å
82	E	98.4	Very high	98.2	Very high	91 Å²	91	40.8 Å²	40.8	43%	0.425	23%	0.234	S	C	.	.			trans	-112	151.9	176.4	-57.4	-168.5	160.5	0	0	111.9	V46 A47 A77 D78	V46-E82 CarbonylContact O-C 3.55Å; V46-E82 VanDerWaalsContact O-CA 3.27Å; V46-E82 WeakPolarHBondContact O-CA 3.45Å; A47-E82 HydrophobicContact CB-CG 4.34Å; A77-E82 CarbonylContact C-O 3.59Å; A77-E82 WeakPolarHBondContact CA-O 3.21Å; D78-E82 VanDerWaalsContact CG-O 3.31Å; D78-E82 PolarHBondContact N-O 3.01Å; D78-E82 PolarHBondContact OD1-N 2.87Å
83	I	98.7	Very high	98.1	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	131.8	169.3	-62	166.6	0	0	0	107.6	K45 V46 L49 V55 Y75 A77 L85 D88	K45-I83 CarbonylContact C-O 3.46Å; K45-I83 VanDerWaalsContact CA-O 3.26Å; K45-I83 WeakPolarHBondContact CA-O 3.47Å; V46-I83 HydrophobicContact CB-CB 4.06Å; V46-I83 HydrophobicContact CG2-CB 4.17Å; V46-I83 PolarHBondContact N-O 3.18Å; V46-I83 PolarHBondContact O-N 3.38Å; L49-I83 HydrophobicContact CD1-CD1 3.43Å; L49-I83 VanDerWaalsContact CD1-CD1 3.43Å; L49-I83 HydrophobicContact CD1-CG1 4.01Å; V55-I83 HydrophobicContact CG2-CD1 3.41Å; V55-I83 VanDerWaalsContact CG2-CD1 3.41Å; Y75-I83 HydrophobicContact CD1-CG2 4.06Å; Y75-I83 HydrophobicContact CG-CG2 4.16Å; A77-I83 HydrophobicContact CB-CD1 4.37Å; A77-I83 HydrophobicContact CB-CG1 4.04Å; I83-L85 HydrophobicContact CG2-CD1 3.94Å; I83-D88 WeakPolarHBondContact CA-OD2 3.37Å; I83-D88 HydrophobicContact CG2-CB 4.38Å
84	D	98.5	Very high	98.1	Very high	16 Å²	16	43.7 Å²	43.7	9%	0.086	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	114.7	170.5	-174.7	-20.2	0	0	0	108.8	Q43 K45 S86 R87 D88	Q43-D84 VanDerWaalsContact NE2-CG 3.33Å; Q43-D84 PolarHBondContact NE2-OD1 3.34Å; Q43-D84 PolarHBondContact NE2-OD2 3.34Å; K45-D84 WeakPolarHBondContact CE-OD2 3Å; K45-D84 HydrophobicContact CG-CB 4.38Å; K45-D84 IonicContact NZ-OD2 3.02Å; K45-D84 PolarHBondContact NZ-OD2 3.37Å; D84-S86 PolarHBondContact O-N 2.81Å; D84-S86 WeakPolarHBondContact OD1-CB 3.47Å; D84-S86 PolarHBondContact OD1-N 3.19Å; D84-R87 HydrophobicContact CB-CB 4.22Å; D84-R87 PolarHBondContact O-N 3.48Å; D84-D88 PolarHBondContact N-OD2 3.26Å; D84-D88 PolarHBondContact O-N 2.88Å
85	L	98.2	Very high	98.1	Very high	1 Å²	1	43 Å²	43	1%	0.005	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-14.8	-174.3	-89.5	71.3	0	0	0	112.9	L44 M57 Y75 I83 R87 L103	L44-L85 HydrophobicContact CB-CB 4.48Å; L44-L85 HydrophobicContact CB-CD1 4.23Å; L44-L85 HydrophobicContact CB-CD2 4.15Å; L44-L85 HydrophobicContact CB-CG 4.49Å; L44-L85 HydrophobicContact CD2-CD1 4.42Å; L44-L85 HydrophobicContact CD2-CD2 3.91Å; L44-L85 HydrophobicContact CG-CD1 4.48Å; L44-L85 WeakPolarHBondContact O-CD1 3.43Å; L44-L85 PolarHBondContact O-N 2.72Å; L44-L85 VanDerWaalsContact O-N 3.16Å; M57-L85 HydrophobicContact CE-CD1 3.85Å; M57-L85 HydrophobicContact SD-CD1 3.32Å; M57-L85 WeakPolarHBondContact SD-CD1 3.5Å; M57-L85 HydrophobicContact SD-CD2 4.36Å; M57-L85 HydrophobicContact SD-CG 4.34Å; Y75-L85 HydrophobicContact CE1-CD1 4.47Å; Y75-L85 HydrophobicContact CE1-CG 4.07Å; Y75-L85 HydrophobicContact CE2-CD2 4.39Å; Y75-L85 HydrophobicContact CE2-CG 4.35Å; I83-L85 HydrophobicContact CG2-CD1 3.94Å; L85-R87 VanDerWaalsContact C-N 3.31Å; L85-L103 HydrophobicContact CD2-CD1 3.93Å; L85-L103 HydrophobicContact CD2-CG 4.43Å
86	S	97.8	Very high	98	Very high	53 Å²	53	47.6 Å²	47.6	37%	0.371	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-11.8	174.2	-53.4	0	0	0	0	113.7	D84 V98	D84-S86 PolarHBondContact O-N 2.81Å; D84-S86 WeakPolarHBondContact OD1-CB 3.47Å; D84-S86 PolarHBondContact OD1-N 3.19Å; S86-V98 WeakPolarHBondContact O-CG1 3.33Å
87	R	98	Very high	98	Very high	120 Å²	120	42.8 Å²	42.8	45%	0.453	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.2	-45.2	-175.2	179.6	-168.1	67.8	-160.8	1.3	111.7	D78 D84 L85 V98	D78-R87 IonicContact OD2-CZ 3.75Å; D78-R87 IonicContact OD2-NH1 2.65Å; D78-R87 IonicContact OD2-NH2 2.74Å; D78-R87 PolarHBondContact OD2-NH2 2.82Å; D84-R87 HydrophobicContact CB-CB 4.22Å; D84-R87 PolarHBondContact O-N 3.48Å; L85-R87 VanDerWaalsContact C-N 3.31Å; R87-V98 WeakPolarHBondContact O-CG2 3.28Å
88	D	98.6	Very high	98	Very high	30 Å²	30	45.9 Å²	45.9	16%	0.16	29%	0.288	C	S	.	.	S	Bend	trans	-92.3	132	-169.2	-57	-41.1	0	0	0	110.4	Y75 I83 D84	Y75-D88 WeakPolarHBondContact CE1-O 3.23Å; I83-D88 WeakPolarHBondContact CA-OD2 3.37Å; I83-D88 HydrophobicContact CG2-CB 4.38Å; D84-D88 PolarHBondContact N-OD2 3.26Å; D84-D88 PolarHBondContact O-N 2.88Å
89	A	98.3	Very high	98	Very high	45 Å²	45	46 Å²	46	37%	0.372	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-76.8	136.6	-178.9	0	0	0	0	0	111.5	L91 G97 V98	A89-L91 PolarHBondContact O-N 3.11Å; A89-G97 WeakPolarHBondContact CA-O 3.36Å; A89-V98 HydrophobicContact CB-CG2 3.98Å
90	S	98.5	Very high	98	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.007	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-62.5	133.9	161.6	173.6	0	0	0	0	109.1	A73 T74 S92 Y95 V96 G97	A73-S90 WeakPolarHBondContact CB-OG 3.47Å; T74-S90 CarbonylContact O-C 3.58Å; T74-S90 WeakPolarHBondContact O-CA 3.22Å; S90-S92 PolarHBondContact OG-O 2.8Å; S90-S92 VanDerWaalsContact OG-O 3.11Å; S90-Y95 WeakPolarHBondContact CB-O 3.37Å; S90-Y95 PolarHBondContact OG-O 3.34Å; S90-V96 WeakPolarHBondContact O-CG1 3.3Å; S90-G97 PolarHBondContact N-O 3.13Å; S90-G97 PolarHBondContact O-N 3.46Å
91	L	98.2	Very high	98.1	Very high	90 Å²	90	42.8 Å²	42.8	47%	0.471	26%	0.255	S	S	.	.			trans	-88.7	-32.2	-179.7	-56.6	-179.3	0	0	0	112.4	T74 R76 A89	T74-L91 PolarHBondContact O-N 2.75Å; R76-L91 HydrophobicContact CB-CD1 3.98Å; A89-L91 PolarHBondContact O-N 3.11Å
92	S	98.1	Very high	98.1	Very high	56 Å²	56	42.8 Å²	42.8	39%	0.392	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.6	169.1	-176.8	66.8	0	0	0	0	110.7	A73 T74 S90	A73-S92 CarbonylContact C-O 3.55Å; A73-S92 VanDerWaalsContact CA-O 3.31Å; A73-S92 WeakPolarHBondContact CA-O 3.43Å; T74-S92 WeakPolarHBondContact CB-OG 3.41Å; T74-S92 PolarHBondContact N-O 3.48Å; T74-S92 PolarHBondContact OG1-OG 2.94Å; S90-S92 PolarHBondContact OG-O 2.8Å; S90-S92 VanDerWaalsContact OG-O 3.11Å
93	G	97.3	Very high	98.1	Very high	50 Å²	50	38.6 Å²	38.6	52%	0.515	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	118.3	-148.6	178.6	0	0	0	0	0	111.9	S72 Y95	S72-G93 WeakPolarHBondContact O-CA 3.4Å; G93-Y95 PolarHBondContact O-N 3.15Å
94	N	97.6	Very high	98.1	Very high	49 Å²	49	38.6 Å²	38.6	26%	0.262	24%	0.235	S	C	.	.	S	Bend	trans	-69.8	-15.2	-178.7	-67	99	0	0	0	113.5	S71 S72	S71-N94 WeakPolarHBondContact CA-OD1 3.25Å; S72-N94 PolarHBondContact N-OD1 2.84Å; S72-N94 PolarHBondContact O-N 3.44Å; S72-N94 PolarHBondContact O-OD1 3.06Å; S72-N94 PolarHBondContact OG-OD1 3.32Å
95	Y	97.8	Very high	98.1	Very high	12 Å²	12	38.7 Å²	38.7	5%	0.047	23%	0.234	C	C	.	.			trans	-154.8	161.3	172	65.1	-85.2	0	0	0	110.5	A73 Y75 S90 G93 E99 G102 L103 W105 S106	A73-Y95 HydrophobicContact CB-CD1 4.26Å; A73-Y95 HydrophobicContact CB-CE1 3.56Å; A73-Y95 HydrophobicContact CB-CE2 4.11Å; A73-Y95 VanDerWaalsContact CB-CZ 3.47Å; Y75-Y95 WeakPolarHBondContact OH-CE2 3.45Å; Y75-Y95 PolarHBondContact OH-OH 3.33Å; S90-Y95 WeakPolarHBondContact CB-O 3.37Å; S90-Y95 PolarHBondContact OG-O 3.34Å; G93-Y95 PolarHBondContact O-N 3.15Å; Y95-E99 HydrophobicContact CD2-CB 3.62Å; Y95-E99 HydrophobicContact CD2-CG 3.85Å; Y95-E99 HydrophobicContact CE2-CB 3.73Å; Y95-E99 HydrophobicContact CE2-CG 4.41Å; Y95-G102 VanDerWaalsContact CE1-CA 3.48Å; Y95-L103 HydrophobicContact CE1-CD2 4.09Å; Y95-L103 HydrophobicContact CE1-CG 4.21Å; Y95-L103 VanDerWaalsContact CE1-N 3.32Å; Y95-L103 WeakPolarHBondContact OH-CG 3.32Å; Y95-L103 PolarHBondContact OH-N 3.36Å; Y95-W105 HydrophobicContact CG-CH2 4.29Å; Y95-W105 HydrophobicContact CG-CZ2 4.21Å; Y95-S106 WeakPolarHBondContact CD1-OG 3.3Å
96	V	98.2	Very high	98	Very high	96 Å²	96	38.9 Å²	38.9	58%	0.582	24%	0.236	S	C	*	.			trans	-131.1	150.5	-179.9	175.6	0	0	0	0	108.9	S90	S90-V96 WeakPolarHBondContact O-CG1 3.3Å
97	G	98.3	Very high	98.1	Very high	22 Å²	22	36.4 Å²	36.4	23%	0.227	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	94.6	-174.4	-178.7	0	0	0	0	0	113.3	A89 S90 E99	A89-G97 WeakPolarHBondContact CA-O 3.36Å; S90-G97 PolarHBondContact N-O 3.13Å; S90-G97 PolarHBondContact O-N 3.46Å; G97-E99 PolarHBondContact O-N 3.13Å
98	V	98.3	Very high	98	Very high	67 Å²	67	37.2 Å²	37.2	41%	0.406	22%	0.221	S	C	.	.	S	Bend	trans	-83.4	97.2	180	-176.6	0	0	0	0	108.8	S86 R87 A89	S86-V98 WeakPolarHBondContact O-CG1 3.33Å; R87-V98 WeakPolarHBondContact O-CG2 3.28Å; A89-V98 HydrophobicContact CB-CG2 3.98Å
99	E	97.8	Very high	97.9	Very high	28 Å²	28	37.3 Å²	37.3	13%	0.131	22%	0.224	C	C	.	.			trans	-129.3	89.5	-179.5	-61.7	-63.1	156.5	0	0	108.7	Y95 G97 M101 G102 W105 K409	Y95-E99 HydrophobicContact CD2-CB 3.62Å; Y95-E99 HydrophobicContact CD2-CG 3.85Å; Y95-E99 HydrophobicContact CE2-CB 3.73Å; Y95-E99 HydrophobicContact CE2-CG 4.41Å; G97-E99 PolarHBondContact O-N 3.13Å; E99-M101 PolarHBondContact O-N 3.39Å; E99-M101 VanDerWaalsContact O-N 3.13Å; E99-G102 WeakPolarHBondContact O-CA 3.48Å; E99-G102 PolarHBondContact O-N 2.95Å; E99-W105 HydrophobicContact CB-CZ2 4.38Å; E99-W105 HydrophobicContact CG-CZ2 4.21Å; E99-K409 WeakPolarHBondContact OE1-CD 3.43Å; E99-K409 WeakPolarHBondContact OE1-CE 3.44Å; E99-K409 IonicContact OE1-NZ 3.75Å; E99-K409 PolarHBondContact OE1-NZ 2.9Å
100	P	97.4	Very high	97.4	Very high	53 Å²	53	41.1 Å²	41.1	34%	0.344	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57	-34.9	-172.5	-19.7	25.1	0	0	0	113.2
101	M	98.1	Very high	97	Very high	16 Å²	16	45.1 Å²	45.1	8%	0.079	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	12.3	180	-59.4	-62.1	-74.7	0	0	112.5	P41 I42 E99 L103 L104 W105 F386	P41-M101 HydrophobicContact CB-SD 4.16Å; I42-M101 HydrophobicContact CG1-CE 4.07Å; I42-M101 HydrophobicContact CG1-SD 3.81Å; I42-M101 PolarHBondContact N-SD 2.89Å; I42-M101 VanDerWaalsContact N-SD 3.36Å; E99-M101 PolarHBondContact O-N 3.39Å; E99-M101 VanDerWaalsContact O-N 3.13Å; M101-L103 VanDerWaalsContact C-N 3.33Å; M101-L103 PolarHBondContact O-N 2.8Å; M101-L104 HydrophobicContact CE-CD1 3.28Å; M101-L104 HydrophobicContact CE-CG 4.42Å; M101-L104 PolarHBondContact O-N 2.83Å; M101-L104 HydrophobicContact SD-CD1 4.39Å; M101-W105 PolarHBondContact O-N 2.81Å; M101-F386 HydrophobicContact CB-CD1 3.87Å; M101-F386 HydrophobicContact CB-CE1 3.99Å; M101-F386 HydrophobicContact CE-CB 3.96Å; M101-F386 HydrophobicContact CE-CD1 3.62Å; M101-F386 HydrophobicContact CE-CD2 3.8Å; M101-F386 HydrophobicContact CE-CE1 4.02Å; M101-F386 HydrophobicContact CE-CE2 4.17Å; M101-F386 HydrophobicContact CE-CG 3.51Å; M101-F386 HydrophobicContact CE-CZ 4.27Å; M101-F386 HydrophobicContact CG-CD1 3.87Å; M101-F386 HydrophobicContact CG-CE1 3.63Å; M101-F386 HydrophobicContact CG-CZ 4.25Å
102	G	98.3	Very high	96.6	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-51.1	-47.9	-177.3	0	0	0	0	0	113.4	Y95 E99 L104 W105 S106	Y95-G102 VanDerWaalsContact CE1-CA 3.48Å; E99-G102 WeakPolarHBondContact O-CA 3.48Å; E99-G102 PolarHBondContact O-N 2.95Å; G102-L104 PolarHBondContact O-N 2.94Å; G102-L104 VanDerWaalsContact O-N 3.15Å; G102-W105 VanDerWaalsContact CA-NE1 3.33Å; G102-S106 WeakPolarHBondContact O-CB 3.49Å; G102-S106 PolarHBondContact O-N 2.99Å; G102-S106 PolarHBondContact O-OG 2.83Å
103	L	98.6	Very high	96.4	Very high	3 Å²	3	46 Å²	46	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-16.4	178.4	-72.1	174.9	0	0	0	114.1	L44 M57 A59 S71 A73 L85 Y95 M101 M107 F129	L44-L103 HydrophobicContact CD2-CD1 3.75Å; M57-L103 HydrophobicContact CB-CD1 3.95Å; A59-L103 HydrophobicContact CB-CB 3.91Å; A59-L103 VanDerWaalsContact CB-O 3.31Å; A59-L103 WeakPolarHBondContact CB-O 3.21Å; S71-L103 WeakPolarHBondContact OG-CA 3.22Å; S71-L103 PolarHBondContact OG-O 3.47Å; A73-L103 HydrophobicContact CB-CD2 4.2Å; L85-L103 HydrophobicContact CD2-CD1 3.93Å; L85-L103 HydrophobicContact CD2-CG 4.43Å; Y95-L103 HydrophobicContact CE1-CD2 4.09Å; Y95-L103 HydrophobicContact CE1-CG 4.21Å; Y95-L103 VanDerWaalsContact CE1-N 3.32Å; Y95-L103 WeakPolarHBondContact OH-CG 3.32Å; Y95-L103 PolarHBondContact OH-N 3.36Å; M101-L103 VanDerWaalsContact C-N 3.33Å; M101-L103 PolarHBondContact O-N 2.8Å; L103-M107 VanDerWaalsContact O-CG 3.31Å; L103-M107 WeakPolarHBondContact O-CG 3.28Å; L103-F129 HydrophobicContact CB-CD1 4.39Å; L103-F129 HydrophobicContact CB-CE1 3.85Å; L103-F129 HydrophobicContact CD1-CD1 3.92Å; L103-F129 HydrophobicContact CD1-CE1 4.14Å
104	L	98.4	Very high	96.3	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	26%	0.256	C	S	.	.	H	α-helix	trans	-91.2	-55	177.1	-71.2	-179.6	0	0	0	111.6	I42 M101 G102 S106 M107 V127 F129 F386	I42-L104 HydrophobicContact CD1-CD1 4.28Å; I42-L104 HydrophobicContact CG1-CD1 4.38Å; M101-L104 HydrophobicContact CE-CD1 3.28Å; M101-L104 HydrophobicContact CE-CG 4.42Å; M101-L104 PolarHBondContact O-N 2.83Å; M101-L104 HydrophobicContact SD-CD1 4.39Å; G102-L104 PolarHBondContact O-N 2.94Å; G102-L104 VanDerWaalsContact O-N 3.15Å; L104-S106 VanDerWaalsContact C-N 3.31Å; L104-S106 PolarHBondContact O-N 2.81Å; L104-M107 HydrophobicContact CD2-CE 3.86Å; L104-M107 WeakPolarHBondContact O-CE 3.41Å; L104-M107 PolarHBondContact O-N 3.48Å; L104-V127 HydrophobicContact CD2-CB 4.27Å; L104-V127 HydrophobicContact CD2-CG1 3.87Å; L104-V127 HydrophobicContact CD2-CG2 3.83Å; L104-F129 HydrophobicContact CD2-CE1 4.24Å; L104-F129 HydrophobicContact CD2-CZ 3.61Å; L104-F129 HydrophobicContact CG-CZ 4.03Å; L104-F386 HydrophobicContact CD1-CB 4.42Å
105	W	97.6	Very high	96.1	Very high	18 Å²	18	47.8 Å²	47.8	7%	0.068	25%	0.251	C	S	.	.	H	α-helix	trans	-73.1	-24.9	-174.8	63.5	-109.5	0	0	0	113.2	Y95 E99 M101 G102 M107 G387 Y389 P408 T412	Y95-W105 HydrophobicContact CG-CH2 4.29Å; Y95-W105 HydrophobicContact CG-CZ2 4.21Å; E99-W105 HydrophobicContact CB-CZ2 4.38Å; E99-W105 HydrophobicContact CG-CZ2 4.21Å; M101-W105 PolarHBondContact O-N 2.81Å; G102-W105 VanDerWaalsContact CA-NE1 3.33Å; W105-M107 VanDerWaalsContact C-N 3.31Å; W105-G387 WeakPolarHBondContact CA-O 3.3Å; W105-Y389 PolarHBondContact O-N 2.84Å; W105-P408 HydrophobicContact CE3-CB 3.86Å; W105-P408 HydrophobicContact CH2-CB 4.38Å; W105-P408 HydrophobicContact CZ3-CB 3.44Å; W105-P408 VanDerWaalsContact CZ3-CB 3.44Å; W105-T412 HydrophobicContact CB-CG2 3.81Å; W105-T412 WeakPolarHBondContact CB-OG1 3.35Å; W105-T412 HydrophobicContact CG-CG2 3.87Å
106	S	98.1	Very high	95.9	Very high	5 Å²	5	48.3 Å²	48.3	4%	0.035	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	1.3	-178.5	73.1	0	0	0	0	114	S71 Y95 G102 L104 R108	S71-S106 WeakPolarHBondContact CB-OG 3.24Å; Y95-S106 WeakPolarHBondContact CD1-OG 3.3Å; G102-S106 WeakPolarHBondContact O-CB 3.49Å; G102-S106 PolarHBondContact O-N 2.99Å; G102-S106 PolarHBondContact O-OG 2.83Å; L104-S106 VanDerWaalsContact C-N 3.31Å; L104-S106 PolarHBondContact O-N 2.81Å; S106-R108 PolarHBondContact O-N 2.88Å
107	M	97.9	Very high	95.7	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.235	C	C	.	.			trans	-58.8	136.1	175.3	-71.9	-167.6	-86.4	0	0	110.8	A59 F69 S70 L103 L104 W105 V127 P388	A59-M107 HydrophobicContact CB-SD 4.45Å; F69-M107 HydrophobicContact CB-CB 4.11Å; F69-M107 HydrophobicContact CB-SD 4.32Å; S70-M107 CarbonylContact O-C 3.53Å; S70-M107 WeakPolarHBondContact O-CA 3.47Å; L103-M107 VanDerWaalsContact O-CG 3.31Å; L103-M107 WeakPolarHBondContact O-CG 3.28Å; L104-M107 HydrophobicContact CD2-CE 3.86Å; L104-M107 WeakPolarHBondContact O-CE 3.41Å; L104-M107 PolarHBondContact O-N 3.48Å; W105-M107 VanDerWaalsContact C-N 3.31Å; M107-V127 HydrophobicContact CE-CG2 4.39Å; M107-P388 HydrophobicContact CB-CB 4.13Å; M107-P388 HydrophobicContact CB-CG 4.07Å; M107-P388 HydrophobicContact CE-CG 4.05Å
108	R	96.6	Very high	95.5	Very high	138 Å²	138	45.1 Å²	45.1	52%	0.521	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	147.7	177.1	-65.3	-179.1	-175.7	-177.9	-0.8	110	F69 S70 S106	F69-R108 CarbonylContact C-O 3.49Å; F69-R108 VanDerWaalsContact CA-O 3.32Å; F69-R108 WeakPolarHBondContact CA-O 3.34Å; S70-R108 PolarHBondContact N-O 3.48Å; S70-R108 PolarHBondContact O-N 2.91Å; S106-R108 PolarHBondContact O-N 2.88Å
109	P	95.9	Very high	95.2	Very high	32 Å²	32	44 Å²	44	21%	0.208	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	150.4	171.7	33	-34.5	0	0	0	110.1	V67 V68 F69 V111 K114	V67-P109 HydrophobicContact CG1-CB 4.01Å; V68-P109 WeakPolarHBondContact O-CA 3.46Å; F69-P109 HydrophobicContact CD1-CB 4.12Å; F69-P109 HydrophobicContact CD1-CG 4.43Å; F69-P109 HydrophobicContact CE1-CB 3.77Å; F69-P109 VanDerWaalsContact CE1-CD 3.47Å; F69-P109 HydrophobicContact CE1-CG 3.86Å; F69-P109 HydrophobicContact CE2-CB 4.23Å; F69-P109 HydrophobicContact CG-CB 4.49Å; F69-P109 HydrophobicContact CZ-CB 3.81Å; F69-P109 HydrophobicContact CZ-CG 4.19Å; P109-V111 WeakPolarHBondContact CB-O 3.49Å; P109-V111 WeakPolarHBondContact CG-O 3.34Å; P109-V111 PolarHBondContact O-N 3.41Å; P109-K114 HydrophobicContact CB-CB 3.84Å; P109-K114 HydrophobicContact CG-CB 3.87Å
110	D	89.1	Confident	95	Very high	124 Å²	124	45.2 Å²	45.2	66%	0.663	23%	0.227	S	C	*	.	S	Bend	trans	-67.3	-19.6	171.2	-61.1	-26.6	0	0	0	111.6
111	V	89.6	Confident	94.9	Very high	86 Å²	86	42.9 Å²	42.9	52%	0.521	21%	0.213	S	C	.	.	S	Bend	trans	-108.7	128.4	179.2	-176.8	0	0	0	0	110	P109 K114	P109-V111 WeakPolarHBondContact CB-O 3.49Å; P109-V111 WeakPolarHBondContact CG-O 3.34Å; P109-V111 PolarHBondContact O-N 3.41Å; V111-K114 HydrophobicContact CB-CG 4.05Å; V111-K114 HydrophobicContact CG1-CG 4.14Å; V111-K114 WeakPolarHBondContact O-CG 3.36Å
112	L	90.6	Very high	94.7	Very high	131 Å²	131	47 Å²	47	69%	0.686	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	153.4	177.8	-66.3	176.8	0	0	0	112.8	K114	L112-K114 PolarHBondContact O-N 2.98Å
113	H	93.8	Very high	94.5	Very high	32 Å²	32	52 Å²	52	15%	0.148	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.5	29.4	172.7	-47.3	-54.2	0	0	0	114.9	S307 S392 S393 P401	H113-S307 PolarHBondContact NE2-O 3.08Å; H113-S392 CarbonylContact C-O 3.5Å; H113-S392 WeakPolarHBondContact CA-O 3.47Å; H113-S392 WeakPolarHBondContact ND1-CB 3.17Å; H113-S392 PolarHBondContact ND1-OG 2.6Å; H113-S393 WeakPolarHBondContact O-CA 3.19Å; H113-P401 HydrophobicContact CB-CB 3.75Å; H113-P401 HydrophobicContact CB-CG 3.8Å
114	K	94	Very high	94.4	Very high	98 Å²	98	53.6 Å²	53.6	43%	0.426	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-101.8	118.3	172.7	-63	-63.7	-178	177.5	0	110.5	V67 F69 P109 V111 L112	V67-K114 HydrophobicContact CG1-CB 4.23Å; V67-K114 HydrophobicContact CG1-CG 4.35Å; F69-K114 HydrophobicContact CZ-CB 4.4Å; P109-K114 HydrophobicContact CB-CB 3.84Å; P109-K114 HydrophobicContact CG-CB 3.87Å; V111-K114 HydrophobicContact CB-CG 4.05Å; V111-K114 HydrophobicContact CG1-CG 4.14Å; V111-K114 WeakPolarHBondContact O-CG 3.36Å; L112-K114 PolarHBondContact O-N 2.98Å
115	R	93.4	Very high	94.4	Very high	39 Å²	39	53.9 Å²	53.9	15%	0.147	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-84.9	131.9	169	-171.5	-179	73	-178.8	0.8	109.7	Q117 G186 Y381 C390	R115-Q117 PolarHBondContact O-N 3.05Å; R115-Q117 PolarHBondContact O-NE2 2.78Å; R115-G186 PolarHBondContact NH2-O 3.25Å; R115-Y381 VanDerWaalsContact NH1-CZ 3.3Å; R115-Y381 PolarHBondContact NH1-OH 3.36Å; R115-C390 HydrophobicContact CB-CB 4.46Å; R115-C390 VanDerWaalsContact CB-SG 3.57Å; R115-C390 HydrophobicContact CG-CB 3.97Å
116	F	94.8	Very high	94.4	Very high	23 Å²	23	55.4 Å²	55.4	10%	0.101	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-57.1	128.6	175	176.9	-101.6	0	0	0	111.7	F38 D63 F69 K118 H125 P388	F38-F116 HydrophobicContact CE2-CE1 4.11Å; F38-F116 HydrophobicContact CZ-CE1 4.1Å; D63-F116 HydrophobicContact CB-CD2 3.61Å; D63-F116 HydrophobicContact CB-CE2 3.55Å; D63-F116 HydrophobicContact CB-CZ 4.44Å; F69-F116 HydrophobicContact CD1-CB 4.41Å; F69-F116 AromaticContact CD2-CD2 3.89Å; F69-F116 HydrophobicContact CD2-CD2 3.89Å; F69-F116 HydrophobicContact CE1-CB 3.87Å; F69-F116 HydrophobicContact CE2-CB 4.2Å; F69-F116 HydrophobicContact CE2-CD2 4Å; F69-F116 HydrophobicContact CG-CD2 4.19Å; F69-F116 VanDerWaalsContact CZ-CA 3.45Å; F69-F116 HydrophobicContact CZ-CB 3.77Å; F69-F116 HydrophobicContact CZ-CD2 4.4Å; F116-K118 HydrophobicContact CD1-CB 4.38Å; F116-K118 HydrophobicContact CE1-CB 3.53Å; F116-K118 HydrophobicContact CZ-CB 4Å; F116-H125 AromaticContact CE2-CE1 3.32Å; F116-H125 WeakPolarHBondContact CE2-CE1 3.38Å; F116-H125 AromaticContact CE2-ND1 3.79Å; F116-H125 AromaticContact CZ-CE1 3.16Å; F116-H125 WeakPolarHBondContact CZ-CE1 3.31Å; F116-H125 AromaticContact CZ-CG 3.96Å; F116-H125 AromaticContact CZ-ND1 3.37Å; F116-H125 WeakPolarHBondContact CZ-ND1 3.42Å; F116-H125 AromaticContact CZ-NE2 3.7Å; F116-P388 HydrophobicContact CB-CB 4.07Å; F116-P388 HydrophobicContact CB-CG 3.82Å; F116-P388 HydrophobicContact CD1-CG 4.13Å; F116-P388 HydrophobicContact CD2-CG 3.84Å; F116-P388 HydrophobicContact CG-CB 4.43Å; F116-P388 HydrophobicContact CG-CG 3.64Å
117	Q	93.7	Very high	94.4	Very high	41 Å²	41	55.1 Å²	55.1	19%	0.192	28%	0.282	C	S	.	.			trans	-108.2	115.4	-179.7	-56.6	-62.1	-39.8	0	0	112.1	D63 E64 K65 R115	D63-Q117 PolarHBondContact OD2-N 3.37Å; E64-Q117 PolarHBondContact N-O 3.49Å; E64-Q117 VanDerWaalsContact N-O 3.11Å; K65-Q117 HydrophobicContact CG-CB 4.07Å; K65-Q117 HydrophobicContact CG-CG 3.8Å; R115-Q117 PolarHBondContact O-N 3.05Å; R115-Q117 PolarHBondContact O-NE2 2.78Å
118	K	94.6	Very high	94.5	Very high	10 Å²	10	57.5 Å²	57.5	4%	0.043	30%	0.295	C	S	.	.			trans	-139.3	88.7	167	-173.8	73.9	-174.4	96.8	0	109.1	F38 E64 F116 N120 N123 H125 L148 K192	F38-K118 HydrophobicContact CE2-CG 4.38Å; E64-K118 HydrophobicContact CG-CD 4.32Å; E64-K118 WeakPolarHBondContact OE1-CD 3.21Å; E64-K118 IonicContact OE1-NZ 3.86Å; E64-K118 PolarHBondContact OE1-NZ 2.92Å; F116-K118 HydrophobicContact CD1-CB 4.38Å; F116-K118 HydrophobicContact CE1-CB 3.53Å; F116-K118 HydrophobicContact CZ-CB 4Å; K118-N120 PolarHBondContact NZ-O 2.95Å; K118-N123 WeakPolarHBondContact CE-O 3.33Å; K118-N123 PolarHBondContact NZ-O 3.28Å; K118-H125 HydrophobicContact CD-CB 3.95Å; K118-L148 HydrophobicContact CG-CD1 3.94Å; K118-L148 HydrophobicContact CG-CD2 4.3Å; K118-L148 HydrophobicContact CG-CG 4.29Å; K118-K192 WeakPolarHBondContact O-CB 3.44Å
119	T	91.7	Very high	94.6	Very high	45 Å²	45	51 Å²	51	28%	0.276	27%	0.271	S	S	.	.			trans	-115.3	-17.2	-174.2	61	0	0	0	0	113.5	E64 E191	E64-T119 PolarHBondContact OE2-N 2.87Å; E64-T119 PolarHBondContact OE2-OG1 2.9Å; T119-E191 WeakPolarHBondContact O-CB 3.44Å; T119-E191 PolarHBondContact O-N 3.05Å
120	N	92.6	Very high	94.7	Very high	52 Å²	52	50.4 Å²	50.4	28%	0.278	27%	0.267	S	S	.	.			trans	-99.4	129.1	-179.6	-177	-36.1	0	0	0	111.6	E64 K118 L122	E64-N120 WeakPolarHBondContact OE1-CB 3.42Å; E64-N120 PolarHBondContact OE1-N 3.14Å; E64-N120 PolarHBondContact OE2-N 3.05Å; K118-N120 PolarHBondContact NZ-O 2.95Å; N120-L122 PolarHBondContact O-N 2.82Å; N120-L122 VanDerWaalsContact OD1-CB 3.25Å; N120-L122 WeakPolarHBondContact OD1-CB 3.43Å; N120-L122 WeakPolarHBondContact OD1-CG 3.34Å; N120-L122 PolarHBondContact OD1-N 3.13Å
121	A	95.3	Very high	95.1	Very high	5 Å²	5	44.5 Å²	44.5	4%	0.041	24%	0.235	C	C	.	.	S	Bend	trans	-78.6	-14.8	-177	0	0	0	0	0	115.4	L148 F168 E191 A195	A121-L148 HydrophobicContact CB-CB 4.13Å; A121-L148 HydrophobicContact CB-CD1 4.49Å; A121-F168 HydrophobicContact CB-CE1 3.79Å; A121-F168 HydrophobicContact CB-CZ 3.81Å; A121-E191 HydrophobicContact CB-CB 4.06Å; A121-E191 VanDerWaalsContact CB-OE2 3.22Å; A121-E191 WeakPolarHBondContact CB-OE2 3.39Å; A121-E191 PolarHBondContact N-OE2 3.28Å; A121-A195 HydrophobicContact CB-CB 3.91Å
122	L	94.4	Very high	95.5	Very high	103 Å²	103	41.1 Å²	41.1	54%	0.539	21%	0.214	S	C	.	.	S	Bend	trans	-72.4	-36.4	-170	-64.3	174.1	0	0	0	113.8	N120	N120-L122 PolarHBondContact O-N 2.82Å; N120-L122 VanDerWaalsContact OD1-CB 3.25Å; N120-L122 WeakPolarHBondContact OD1-CB 3.43Å; N120-L122 WeakPolarHBondContact OD1-CG 3.34Å; N120-L122 PolarHBondContact OD1-N 3.13Å
123	N	94.4	Very high	95.7	Very high	104 Å²	104	37.6 Å²	37.6	56%	0.556	19%	0.194	S	C	*	.	S	Bend	trans	-104.4	138.4	-177.4	-63.7	-46.1	0	0	0	110.5	K118	K118-N123 WeakPolarHBondContact CE-O 3.33Å; K118-N123 PolarHBondContact NZ-O 3.28Å
124	P	96.2	Very high	95.3	Very high	37 Å²	37	43.1 Å²	43.1	24%	0.24	22%	0.22	C	C	.	.			trans	-67.6	153.2	172	27.4	-32.4	0	0	0	111.5	V126 E145 F147	P124-V126 HydrophobicContact CG-CG2 4.37Å; P124-E145 HydrophobicContact CB-CB 4.17Å; P124-F147 HydrophobicContact CB-CD1 3.85Å; P124-F147 HydrophobicContact CB-CD2 4.42Å; P124-F147 HydrophobicContact CB-CE1 3.63Å; P124-F147 HydrophobicContact CB-CE2 4.21Å; P124-F147 HydrophobicContact CB-CG 4.22Å; P124-F147 HydrophobicContact CB-CZ 3.79Å; P124-F147 HydrophobicContact CG-CD1 4.41Å; P124-F147 HydrophobicContact CG-CE1 3.76Å; P124-F147 HydrophobicContact CG-CZ 3.96Å
125	H	97.6	Very high	94.7	Very high	7 Å²	7	47.3 Å²	47.3	3%	0.032	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	124.1	160.8	172.8	58.8	0	0	0	108.9	F38 S61 F116 K118 V127 R146	F38-H125 HydrophobicContact CD2-CB 4.18Å; F38-H125 HydrophobicContact CE2-CB 4.22Å; F38-H125 AromaticContact CE2-CD2 3.73Å; S61-H125 VanDerWaalsContact CB-CE1 3.4Å; S61-H125 WeakPolarHBondContact CB-CE1 3.34Å; S61-H125 PolarHBondContact OG-CE1 3.33Å; S61-H125 PolarHBondContact OG-ND1 2.98Å; S61-H125 VanDerWaalsContact OG-ND1 3.13Å; F116-H125 AromaticContact CE2-CE1 3.32Å; F116-H125 WeakPolarHBondContact CE2-CE1 3.38Å; F116-H125 AromaticContact CE2-ND1 3.79Å; F116-H125 AromaticContact CZ-CE1 3.16Å; F116-H125 WeakPolarHBondContact CZ-CE1 3.31Å; F116-H125 AromaticContact CZ-CG 3.96Å; F116-H125 AromaticContact CZ-ND1 3.37Å; F116-H125 WeakPolarHBondContact CZ-ND1 3.42Å; F116-H125 AromaticContact CZ-NE2 3.7Å; K118-H125 HydrophobicContact CD-CB 3.95Å; H125-V127 VanDerWaalsContact NE2-CG2 3.31Å; H125-V127 WeakPolarHBondContact NE2-CG2 3.35Å; H125-R146 HydrophobicContact CB-CB 4.21Å; H125-R146 PolarHBondContact N-O 3Å; H125-R146 WeakPolarHBondContact O-CB 3.39Å; H125-R146 PolarHBondContact O-N 3.06Å
126	V	98.3	Very high	94.2	Very high	50 Å²	50	47.3 Å²	47.3	30%	0.303	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	116.9	-176.3	-177.7	0	0	0	0	110.2	S61 P124 N144 E145	S61-V126 PolarHBondContact OG-O 3.35Å; P124-V126 HydrophobicContact CG-CG2 4.37Å; V126-N144 WeakPolarHBondContact CA-O 3.35Å; V126-E145 HydrophobicContact CG2-CG 4.44Å
127	V	98.6	Very high	94.1	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124.3	176.9	-172.4	0	0	0	0	109.4	A59 L104 M107 H125 F129 N144	A59-V127 HydrophobicContact CB-CG1 4.03Å; L104-V127 HydrophobicContact CD2-CB 4.27Å; L104-V127 HydrophobicContact CD2-CG1 3.87Å; L104-V127 HydrophobicContact CD2-CG2 3.83Å; M107-V127 HydrophobicContact CE-CG2 4.39Å; H125-V127 VanDerWaalsContact NE2-CG2 3.31Å; H125-V127 WeakPolarHBondContact NE2-CG2 3.35Å; V127-F129 HydrophobicContact CB-CE2 4.01Å; V127-F129 HydrophobicContact CB-CZ 4.32Å; V127-F129 HydrophobicContact CG1-CD2 4.22Å; V127-F129 HydrophobicContact CG1-CE1 4.11Å; V127-F129 HydrophobicContact CG1-CE2 3.77Å; V127-F129 HydrophobicContact CG1-CZ 3.71Å; V127-N144 PolarHBondContact N-O 2.83Å; V127-N144 PolarHBondContact O-N 2.77Å
128	N	98.6	Very high	94.3	Very high	50 Å²	50	51 Å²	51	27%	0.267	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	117.3	172.2	-57.4	-67.2	0	0	0	108.8	A59 R60 K143	A59-N128 CarbonylContact C-O 3.59Å; A59-N128 WeakPolarHBondContact CA-O 3.43Å; R60-N128 PolarHBondContact N-O 2.86Å; R60-N128 PolarHBondContact O-N 3.09Å; N128-K143 WeakPolarHBondContact OD1-CD 3.43Å; N128-K143 VanDerWaalsContact OD1-CE 3.27Å; N128-K143 WeakPolarHBondContact OD1-CE 3.32Å; N128-K143 VanDerWaalsContact OD1-CG 3.28Å; N128-K143 WeakPolarHBondContact OD1-CG 3.2Å
129	F	98.8	Very high	94.4	Very high	3 Å²	3	52.6 Å²	52.6	1%	0.013	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	139.8	170.6	-64	-81.7	0	0	0	109.7	L28 L30 I42 L44 R58 A59 L103 L104 V127 E141 V142 N144	L28-F129 HydrophobicContact CD2-CB 3.83Å; L28-F129 WeakPolarHBondContact CD2-O 3.44Å; L30-F129 HydrophobicContact CD2-CD2 4.17Å; L30-F129 HydrophobicContact CD2-CE2 4.21Å; I42-F129 HydrophobicContact CD1-CE2 3.65Å; I42-F129 HydrophobicContact CD1-CZ 3.62Å; L44-F129 HydrophobicContact CD1-CB 4.27Å; L44-F129 HydrophobicContact CD1-CD2 4.48Å; L44-F129 HydrophobicContact CD1-CG 4.22Å; L44-F129 HydrophobicContact CD2-CB 4.36Å; L44-F129 HydrophobicContact CD2-CD1 3.82Å; L44-F129 HydrophobicContact CD2-CE1 4.34Å; L44-F129 HydrophobicContact CD2-CG 4.18Å; R58-F129 CarbonylContact O-C 3.6Å; R58-F129 VanDerWaalsContact O-CA 3.31Å; R58-F129 WeakPolarHBondContact O-CA 3.41Å; A59-F129 HydrophobicContact CB-CD1 3.79Å; A59-F129 HydrophobicContact CB-CE1 3.73Å; L103-F129 HydrophobicContact CB-CD1 4.39Å; L103-F129 HydrophobicContact CB-CE1 3.85Å; L103-F129 HydrophobicContact CD1-CD1 3.92Å; L103-F129 HydrophobicContact CD1-CE1 4.14Å; L104-F129 HydrophobicContact CD2-CE1 4.24Å; L104-F129 HydrophobicContact CD2-CZ 3.61Å; L104-F129 HydrophobicContact CG-CZ 4.03Å; V127-F129 HydrophobicContact CB-CE2 4.01Å; V127-F129 HydrophobicContact CB-CZ 4.32Å; V127-F129 HydrophobicContact CG1-CD2 4.22Å; V127-F129 HydrophobicContact CG1-CE1 4.11Å; V127-F129 HydrophobicContact CG1-CE2 3.77Å; V127-F129 HydrophobicContact CG1-CZ 3.71Å; F129-E141 CarbonylContact O-C 3.53Å; F129-E141 WeakPolarHBondContact O-CA 3.24Å; F129-V142 HydrophobicContact CB-CG1 4.05Å; F129-V142 PolarHBondContact N-O 3.35Å; F129-V142 PolarHBondContact O-N 2.94Å; F129-N144 HydrophobicContact CD2-CB 4.15Å; F129-N144 HydrophobicContact CE2-CB 3.69Å
130	S	98.6	Very high	94.7	Very high	18 Å²	18	51.2 Å²	51.2	13%	0.126	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	152.2	178.8	50.9	0	0	0	0	111.9	M57 R58 H132 A140	M57-S130 CarbonylContact C-O 3.54Å; M57-S130 WeakPolarHBondContact CA-O 3.23Å; R58-S130 PolarHBondContact N-O 3.4Å; R58-S130 PolarHBondContact O-N 3.38Å; S130-H132 VanDerWaalsContact CB-NE2 3.35Å; S130-H132 WeakPolarHBondContact CB-NE2 3.28Å; S130-H132 PolarHBondContact OG-NE2 2.95Å; S130-A140 CarbonylContact C-O 3.54Å; S130-A140 VanDerWaalsContact CA-O 3.26Å; S130-A140 WeakPolarHBondContact CA-O 3.19Å
131	V	98.3	Very high	95	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	133.2	174.6	-171.9	0	0	0	0	108.4	L28 V46 V55 M57 L139 A140	L28-V131 HydrophobicContact CB-CG2 4.38Å; L28-V131 HydrophobicContact CD1-CG2 3.86Å; L28-V131 HydrophobicContact CD2-CG2 4.13Å; L28-V131 HydrophobicContact CG-CG2 4.37Å; V46-V131 HydrophobicContact CG1-CG1 4.37Å; V46-V131 HydrophobicContact CG1-CG2 4.04Å; V46-V131 HydrophobicContact CG2-CG2 3.75Å; V55-V131 HydrophobicContact CB-CG1 3.7Å; V55-V131 HydrophobicContact CG1-CG1 4.05Å; V55-V131 HydrophobicContact CG2-CG1 3.75Å; M57-V131 HydrophobicContact CE-CG2 4.09Å; M57-V131 HydrophobicContact CG-CG2 4.42Å; V131-L139 HydrophobicContact CB-CB 4.45Å; V131-L139 HydrophobicContact CG1-CD1 4.17Å; V131-L139 PolarHBondContact O-N 3.35Å; V131-A140 PolarHBondContact N-O 2.91Å
132	H	98.1	Very high	95.1	Very high	15 Å²	15	55.5 Å²	55.5	7%	0.069	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.6	-177.1	-59.6	-101.2	0	0	0	110.4	V55 T56 S130 G137	V55-H132 WeakPolarHBondContact CA-O 3.34Å; V55-H132 WeakPolarHBondContact CB-O 3.25Å; T56-H132 PolarHBondContact N-O 3.35Å; T56-H132 PolarHBondContact O-N 2.92Å; S130-H132 VanDerWaalsContact CB-NE2 3.35Å; S130-H132 WeakPolarHBondContact CB-NE2 3.28Å; S130-H132 PolarHBondContact OG-NE2 2.95Å; H132-G137 CarbonylContact C-O 3.54Å; H132-G137 VanDerWaalsContact CA-O 3.31Å; H132-G137 WeakPolarHBondContact CA-O 3.02Å
133	E	95	Very high	95.3	Very high	57 Å²	57	56.4 Å²	56.4	27%	0.266	30%	0.303	S	S	.	.			trans	-68.2	163.5	165.1	-65.4	-167.6	135.9	0	0	110.9	R50 Q53 E135 G136 G137 L139	R50-E133 IonicContact NH1-OE1 2.64Å; R50-E133 PolarHBondContact NH1-OE1 2.91Å; R50-E133 IonicContact NH2-OE1 3.48Å; Q53-E133 PolarHBondContact NE2-OE1 2.92Å; E133-E135 PolarHBondContact O-N 3.06Å; E133-G136 WeakPolarHBondContact O-CA 3.25Å; E133-G136 PolarHBondContact O-N 2.88Å; E133-G137 PolarHBondContact N-O 3.35Å; E133-L139 HydrophobicContact CG-CD1 3.68Å; E133-L139 HydrophobicContact CG-CD2 3.53Å; E133-L139 HydrophobicContact CG-CG 3.67Å
134	E	85.1	Confident	95.5	Very high	148 Å²	148	51.4 Å²	51.4	69%	0.692	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-34.8	175.4	-70.6	-174.9	162.9	0	0	112.1	V54 G136	V54-E134 HydrophobicContact CB-CG 4.44Å; V54-E134 VanDerWaalsContact CB-OE1 3.28Å; V54-E134 WeakPolarHBondContact CB-OE1 3.39Å; V54-E134 HydrophobicContact CG1-CG 4.36Å; V54-E134 VanDerWaalsContact CG1-OE1 3.31Å; V54-E134 WeakPolarHBondContact CG1-OE1 3.27Å; E134-G136 PolarHBondContact O-N 3.1Å
135	E	81.4	Confident	95.6	Very high	187 Å²	187	52.9 Å²	52.9	87%	0.874	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-0.8	176.1	-61.8	178.8	-169.9	0	0	113.2	E133	E133-E135 PolarHBondContact O-N 3.06Å
136	G	82.5	Confident	95.6	Very high	39 Å²	39	52.6 Å²	52.6	40%	0.402	28%	0.278	S	S	.	.	S	Bend	trans	91.9	-2.9	173.6	0	0	0	0	0	115.7	E133 E134 M138	E133-G136 WeakPolarHBondContact O-CA 3.25Å; E133-G136 PolarHBondContact O-N 2.88Å; E134-G136 PolarHBondContact O-N 3.1Å; G136-M138 PolarHBondContact O-N 3.17Å
137	G	93.1	Very high	95.6	Very high	37 Å²	37	52.3 Å²	52.3	38%	0.381	27%	0.273	S	S	.	.			trans	-65.7	126.1	175.1	0	0	0	0	0	112.1	H132 E133 L139	H132-G137 CarbonylContact C-O 3.54Å; H132-G137 VanDerWaalsContact CA-O 3.31Å; H132-G137 WeakPolarHBondContact CA-O 3.02Å; E133-G137 PolarHBondContact N-O 3.35Å; G137-L139 PolarHBondContact O-N 3.42Å
138	M	96.9	Very high	95.6	Very high	104 Å²	104	52.3 Å²	52.3	51%	0.512	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	125	177.2	-172.2	170.8	70.9	0	0	110.8	G136 E141	G136-M138 PolarHBondContact O-N 3.17Å; M138-E141 HydrophobicContact CE-CG 4.34Å; M138-E141 HydrophobicContact SD-CB 4.2Å
139	L	97.2	Very high	95.6	Very high	44 Å²	44	52.6 Å²	52.6	23%	0.23	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-40.3	-178	-65.9	176.7	0	0	0	113	V26 L49 V55 V131 E133 G137	V26-L139 HydrophobicContact CB-CB 4.03Å; V26-L139 HydrophobicContact CG1-CB 3.99Å; V26-L139 HydrophobicContact CG1-CD1 4.46Å; V26-L139 HydrophobicContact CG2-CB 4.24Å; V26-L139 HydrophobicContact CG2-CD1 4.23Å; V26-L139 HydrophobicContact CG2-CD2 4.44Å; L49-L139 HydrophobicContact CD2-CD1 3.81Å; V55-L139 HydrophobicContact CG1-CD1 3.96Å; V131-L139 HydrophobicContact CB-CB 4.45Å; V131-L139 HydrophobicContact CG1-CD1 4.17Å; V131-L139 PolarHBondContact O-N 3.35Å; E133-L139 HydrophobicContact CG-CD1 3.68Å; E133-L139 HydrophobicContact CG-CD2 3.53Å; E133-L139 HydrophobicContact CG-CG 3.67Å; G137-L139 PolarHBondContact O-N 3.42Å
140	A	98	Very high	95.4	Very high	15 Å²	15	53.1 Å²	53.1	12%	0.124	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	153.9	-177.7	0	0	0	0	0	110.7	V26 L28 S130 V131	V26-A140 HydrophobicContact CG1-CB 4.21Å; L28-A140 HydrophobicContact CB-CB 4Å; S130-A140 CarbonylContact C-O 3.54Å; S130-A140 VanDerWaalsContact CA-O 3.26Å; S130-A140 WeakPolarHBondContact CA-O 3.19Å; V131-A140 PolarHBondContact N-O 2.91Å
141	E	98	Very high	95.3	Very high	115 Å²	115	60.1 Å²	60.1	54%	0.537	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	156.5	172.2	63	168.8	-149.2	0	0	111.8	F129 M138	F129-E141 CarbonylContact O-C 3.53Å; F129-E141 WeakPolarHBondContact O-CA 3.24Å; M138-E141 HydrophobicContact CE-CG 4.34Å; M138-E141 HydrophobicContact SD-CB 4.2Å
142	V	98.4	Very high	95.3	Very high	33 Å²	33	63 Å²	63	20%	0.2	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	146.8	172	72.6	0	0	0	0	109.7	L28 L30 L44 F129	L28-V142 HydrophobicContact CB-CG1 4.44Å; L28-V142 HydrophobicContact CD2-CB 4.28Å; L28-V142 HydrophobicContact CD2-CG1 3.59Å; L28-V142 HydrophobicContact CG-CB 4.34Å; L28-V142 HydrophobicContact CG-CG1 3.66Å; L30-V142 HydrophobicContact CD1-CB 4.43Å; L30-V142 HydrophobicContact CD1-CG1 3.74Å; L30-V142 HydrophobicContact CD1-CG2 3.83Å; L30-V142 HydrophobicContact CD2-CG1 4.49Å; L30-V142 HydrophobicContact CG-CG1 3.76Å; L30-V142 HydrophobicContact CG-CG2 4.27Å; L44-V142 HydrophobicContact CD1-CG1 4.4Å; F129-V142 HydrophobicContact CB-CG1 4.05Å; F129-V142 PolarHBondContact N-O 3.35Å; F129-V142 PolarHBondContact O-N 2.94Å
143	K	98.4	Very high	95.3	Very high	121 Å²	121	62.8 Å²	62.8	53%	0.526	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.2	176.8	-55.1	-164.9	174.7	169.8	0	110.5	L30 N128	L30-K143 WeakPolarHBondContact CD1-O 3.37Å; N128-K143 WeakPolarHBondContact OD1-CD 3.43Å; N128-K143 VanDerWaalsContact OD1-CE 3.27Å; N128-K143 WeakPolarHBondContact OD1-CE 3.32Å; N128-K143 VanDerWaalsContact OD1-CG 3.28Å; N128-K143 WeakPolarHBondContact OD1-CG 3.2Å
144	N	98.6	Very high	95.4	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.3	168.9	-178.7	-139.3	0	0	0	109.8	L30 A34 V126 V127 F129 R146	L30-N144 HydrophobicContact CD1-CB 3.68Å; A34-N144 CarbonylContact O-C 3.45Å; A34-N144 VanDerWaalsContact O-CA 3.27Å; A34-N144 WeakPolarHBondContact O-CA 3.48Å; A34-N144 PolarHBondContact O-ND2 3.37Å; V126-N144 WeakPolarHBondContact CA-O 3.35Å; V127-N144 PolarHBondContact N-O 2.83Å; V127-N144 PolarHBondContact O-N 2.77Å; F129-N144 HydrophobicContact CD2-CB 4.15Å; F129-N144 HydrophobicContact CE2-CB 3.69Å; N144-R146 VanDerWaalsContact OD1-CD 3.22Å; N144-R146 WeakPolarHBondContact OD1-CD 3.37Å; N144-R146 WeakPolarHBondContact OD1-CG 3.44Å; N144-R146 PolarHBondContact OD1-NH1 3.24Å
145	E	98.4	Very high	96	Very high	67 Å²	67	58.6 Å²	58.6	31%	0.313	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	119.1	171.9	-57.7	-174.2	129.8	0	0	109.6	A34 R35 C36 P124 V126 F147	A34-E145 PolarHBondContact O-N 2.86Å; R35-E145 WeakPolarHBondContact CA-O 3.19Å; R35-E145 WeakPolarHBondContact CD-OE2 3.46Å; R35-E145 HydrophobicContact CG-CB 4.25Å; R35-E145 WeakPolarHBondContact CG-OE2 3.46Å; R35-E145 IonicContact CZ-OE2 3.98Å; R35-E145 IonicContact NE-OE2 3.79Å; R35-E145 PolarHBondContact NE-OE2 2.71Å; C36-E145 PolarHBondContact N-O 2.8Å; P124-E145 HydrophobicContact CB-CB 4.17Å; V126-E145 HydrophobicContact CG2-CG 4.44Å; E145-F147 HydrophobicContact CB-CD2 4.44Å; E145-F147 HydrophobicContact CB-CE2 3.58Å; E145-F147 HydrophobicContact CB-CZ 3.97Å
146	R	98.2	Very high	96.8	Very high	1 Å²	1	53 Å²	53	0%	0.004	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	105.1	-175.4	-57.4	-171.6	72.9	76.2	1.3	109.9	C36 F38 E40 H125 N144	C36-R146 CarbonylContact O-C 3.18Å; C36-R146 WeakPolarHBondContact O-CA 3.43Å; C36-R146 PolarHBondContact SG-NH1 3.3Å; F38-R146 HydrophobicContact CB-CB 4.47Å; F38-R146 HydrophobicContact CD2-CB 4.18Å; F38-R146 PolarHBondContact O-NH2 3.31Å; E40-R146 PolarHBondContact O-NH2 2.85Å; H125-R146 HydrophobicContact CB-CB 4.21Å; H125-R146 PolarHBondContact N-O 3Å; H125-R146 WeakPolarHBondContact O-CB 3.39Å; H125-R146 PolarHBondContact O-N 3.06Å; N144-R146 VanDerWaalsContact OD1-CD 3.22Å; N144-R146 WeakPolarHBondContact OD1-CD 3.37Å; N144-R146 WeakPolarHBondContact OD1-CG 3.44Å; N144-R146 PolarHBondContact OD1-NH1 3.24Å
147	F	98.3	Very high	97.6	Very high	45 Å²	45	54.7 Å²	54.7	20%	0.197	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	145.2	-175	-64.4	-92.3	0	0	0	111.4	R35 C36 L37 F38 P124 E145	R35-F147 HydrophobicContact CB-CE2 4.08Å; R35-F147 HydrophobicContact CG-CE2 4.39Å; C36-F147 PolarHBondContact O-N 2.99Å; L37-F147 CarbonylContact C-O 3.6Å; L37-F147 WeakPolarHBondContact CA-O 3.31Å; L37-F147 HydrophobicContact CD2-CB 4.4Å; F38-F147 PolarHBondContact N-O 2.95Å; P124-F147 HydrophobicContact CB-CD1 3.85Å; P124-F147 HydrophobicContact CB-CD2 4.42Å; P124-F147 HydrophobicContact CB-CE1 3.63Å; P124-F147 HydrophobicContact CB-CE2 4.21Å; P124-F147 HydrophobicContact CB-CG 4.22Å; P124-F147 HydrophobicContact CB-CZ 3.79Å; P124-F147 HydrophobicContact CG-CD1 4.41Å; P124-F147 HydrophobicContact CG-CE1 3.76Å; P124-F147 HydrophobicContact CG-CZ 3.96Å; E145-F147 HydrophobicContact CB-CD2 4.44Å; E145-F147 HydrophobicContact CB-CE2 3.58Å; E145-F147 HydrophobicContact CB-CZ 3.97Å
148	L	98.1	Very high	97.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.296	C	S	.	.	S	Bend	trans	-84.7	-19.7	170.4	-66.5	-175.8	0	0	0	112.7	F38 K118 A121 K192 A195 L196	F38-L148 HydrophobicContact CB-CD2 3.67Å; F38-L148 HydrophobicContact CD2-CD2 4.22Å; F38-L148 HydrophobicContact CG-CD2 3.9Å; K118-L148 HydrophobicContact CG-CD1 3.94Å; K118-L148 HydrophobicContact CG-CD2 4.3Å; K118-L148 HydrophobicContact CG-CG 4.29Å; A121-L148 HydrophobicContact CB-CB 4.13Å; A121-L148 HydrophobicContact CB-CD1 4.49Å; L148-K192 HydrophobicContact CD1-CB 4.07Å; L148-K192 HydrophobicContact CD1-CG 4.35Å; L148-K192 HydrophobicContact CD2-CB 4.36Å; L148-K192 HydrophobicContact CD2-CG 3.76Å; L148-A195 HydrophobicContact CB-CB 4.08Å; L148-A195 CarbonylContact O-C 3.58Å; L148-A195 VanDerWaalsContact O-CB 3.24Å; L148-A195 WeakPolarHBondContact O-CB 3.26Å; L148-L196 HydrophobicContact CD2-CD1 4.15Å; L148-L196 HydrophobicContact CD2-CD2 4.45Å; L148-L196 HydrophobicContact CD2-CG 4.24Å; L148-L196 WeakPolarHBondContact O-CD2 3.39Å; L148-L196 PolarHBondContact O-N 2.98Å
149	M	97.6	Very high	97.8	Very high	55 Å²	55	54.5 Å²	54.5	27%	0.271	30%	0.298	S	S	.	.	S	Bend	trans	-121.2	121.8	-171.6	-160.6	172.3	79	0	0	108.9	V153 R155 F168	M149-V153 WeakPolarHBondContact CE-O 3.33Å; M149-V153 HydrophobicContact CG-CB 3.61Å; M149-V153 HydrophobicContact CG-CG1 3.57Å; M149-V153 HydrophobicContact SD-CB 4.44Å; M149-V153 HydrophobicContact SD-CG1 4.14Å; M149-R155 HydrophobicContact SD-CB 3.76Å; M149-F168 HydrophobicContact SD-CD1 4.22Å; M149-F168 HydrophobicContact SD-CE1 4.03Å
150	G	96.5	Very high	97.7	Very high	15 Å²	15	57.8 Å²	57.8	16%	0.155	31%	0.313	C	S	.	.			trans	-74.6	164.5	176.8	0	0	0	0	0	112.5	G152 V153 S199	G150-G152 PolarHBondContact O-N 3.44Å; G150-V153 WeakPolarHBondContact O-CB 3.27Å; G150-V153 PolarHBondContact O-N 2.81Å; G150-V153 VanDerWaalsContact O-N 3.15Å; G150-S199 PolarHBondContact N-OG 3.44Å
151	D	95.8	Very high	97.4	Very high	164 Å²	164	59.6 Å²	59.6	88%	0.877	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	130	179.4	-67.7	-22.1	0	0	0	111	V153	D151-V153 VanDerWaalsContact C-N 3.27Å; D151-V153 PolarHBondContact O-N 3.09Å
152	G	96.9	Very high	97.2	Very high	61 Å²	61	59.1 Å²	59.1	63%	0.629	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.2	-3.4	178.9	0	0	0	0	0	116	G150 S154	G150-G152 PolarHBondContact O-N 3.44Å; G152-S154 PolarHBondContact O-N 3.28Å
153	V	98.3	Very high	97.1	Very high	10 Å²	10	57.6 Å²	57.6	6%	0.061	32%	0.324	C	S	.	.			trans	-68.5	128.9	169.6	174.1	0	0	0	0	109.1	M149 G150 D151 F168 T169 A198	M149-V153 WeakPolarHBondContact CE-O 3.33Å; M149-V153 HydrophobicContact CG-CB 3.61Å; M149-V153 HydrophobicContact CG-CG1 3.57Å; M149-V153 HydrophobicContact SD-CB 4.44Å; M149-V153 HydrophobicContact SD-CG1 4.14Å; G150-V153 WeakPolarHBondContact O-CB 3.27Å; G150-V153 PolarHBondContact O-N 2.81Å; G150-V153 VanDerWaalsContact O-N 3.15Å; D151-V153 VanDerWaalsContact C-N 3.27Å; D151-V153 PolarHBondContact O-N 3.09Å; V153-F168 HydrophobicContact CG1-CB 4.47Å; V153-F168 HydrophobicContact CG1-CD1 4.21Å; V153-T169 CarbonylContact C-O 3.56Å; V153-T169 WeakPolarHBondContact CA-O 3.48Å; V153-A198 HydrophobicContact CG1-CB 3.78Å
154	S	98.2	Very high	97	Very high	57 Å²	57	53.3 Å²	53.3	40%	0.399	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	143	175.3	179.5	0	0	0	0	111	G152 F168 T169	G152-S154 PolarHBondContact O-N 3.28Å; S154-F168 CarbonylContact O-C 3.6Å; S154-F168 VanDerWaalsContact O-CA 3.27Å; S154-F168 WeakPolarHBondContact O-CA 3.49Å; S154-T169 PolarHBondContact N-O 3.49Å; S154-T169 PolarHBondContact O-N 3.2Å
155	R	98.2	Very high	96.9	Very high	61 Å²	61	53.4 Å²	53.4	23%	0.23	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	116.2	176	177.8	-174.4	174.1	-76.3	-2.5	109.5	M149 V166 F168 E191	M149-R155 HydrophobicContact SD-CB 3.76Å; R155-V166 HydrophobicContact CG-CG1 3.48Å; R155-V166 VanDerWaalsContact CG-CG1 3.48Å; R155-F168 HydrophobicContact CB-CD1 4.05Å; R155-F168 HydrophobicContact CB-CE1 3.71Å; R155-F168 HydrophobicContact CB-CZ 4.44Å; R155-F168 HydrophobicContact CG-CD1 4.23Å; R155-F168 HydrophobicContact CG-CE1 3.53Å; R155-F168 HydrophobicContact CG-CZ 3.77Å; R155-E191 IonicContact CZ-OE1 3.43Å; R155-E191 IonicContact CZ-OE2 3.64Å; R155-E191 IonicContact NE-OE1 3.36Å; R155-E191 PolarHBondContact NE-OE1 2.96Å; R155-E191 IonicContact NE-OE2 2.82Å; R155-E191 PolarHBondContact NE-OE2 2.69Å; R155-E191 IonicContact NH2-OE1 2.69Å; R155-E191 PolarHBondContact NH2-OE1 2.61Å; R155-E191 IonicContact NH2-OE2 3.61Å
156	V	98.3	Very high	96.9	Very high	68 Å²	68	50.4 Å²	50.4	41%	0.412	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	111.9	179.9	-177.9	0	0	0	0	109.7	V158 L167	V156-V158 PolarHBondContact O-N 3.28Å; V156-L167 PolarHBondContact N-O 2.71Å; V156-L167 PolarHBondContact O-N 2.86Å
157	P	97.8	Very high	96.9	Very high	75 Å²	75	50.8 Å²	50.8	49%	0.487	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	134	167.9	-23	34.2	0	0	0	111
158	V	97.8	Very high	96.9	Very high	8 Å²	8	48.6 Å²	48.6	5%	0.048	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118	-178.7	-178.8	0	0	0	0	109.2	V156 Q160 I163 G165 L167 L205 F233	V156-V158 PolarHBondContact O-N 3.28Å; V158-Q160 HydrophobicContact CG1-CB 4.27Å; V158-I163 HydrophobicContact CB-CG2 4.47Å; V158-I163 HydrophobicContact CG1-CB 4.26Å; V158-I163 HydrophobicContact CG1-CG2 3.83Å; V158-G165 PolarHBondContact N-O 2.83Å; V158-G165 PolarHBondContact O-N 3.24Å; V158-L167 HydrophobicContact CG2-CB 3.8Å; V158-L205 HydrophobicContact CB-CD1 4.4Å; V158-L205 HydrophobicContact CG2-CD1 4.02Å; V158-F233 HydrophobicContact CB-CZ 4.42Å; V158-F233 HydrophobicContact CG1-CD2 4.5Å; V158-F233 HydrophobicContact CG1-CE1 4.23Å; V158-F233 HydrophobicContact CG1-CE2 3.89Å; V158-F233 HydrophobicContact CG1-CZ 3.73Å; V158-F233 HydrophobicContact CG2-CE1 4.07Å; V158-F233 HydrophobicContact CG2-CZ 3.72Å
159	K	96.6	Very high	96.9	Very high	129 Å²	129	49.6 Å²	49.6	56%	0.561	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-129.7	73.9	170.5	-63.2	-171.7	179.2	-163.9	0	108.8	D213	K159-D213 VanDerWaalsContact CE-CG 3.4Å; K159-D213 WeakPolarHBondContact CE-OD1 3.31Å; K159-D213 WeakPolarHBondContact CE-OD2 3.39Å; K159-D213 IonicContact NZ-OD1 2.77Å; K159-D213 PolarHBondContact NZ-OD1 3.04Å; K159-D213 IonicContact NZ-OD2 3.28Å; K159-D213 PolarHBondContact NZ-OD2 2.64Å
160	Q	94.8	Very high	97	Very high	114 Å²	114	47.2 Å²	47.2	53%	0.533	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	126.4	-177.9	-179.3	174.9	-11.4	0	0	109.3	V158 N162 I163 F233	V158-Q160 HydrophobicContact CG1-CB 4.27Å; Q160-N162 PolarHBondContact O-N 2.96Å; Q160-I163 PolarHBondContact N-O 2.82Å; Q160-I163 WeakPolarHBondContact O-CB 3.47Å; Q160-I163 PolarHBondContact O-N 2.87Å; Q160-F233 VanDerWaalsContact OE1-CE2 3.24Å
161	G	93.1	Very high	97	Very high	52 Å²	52	49.8 Å²	49.8	54%	0.536	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	-125.7	-173	0	0	0	0	0	111	R164 E229	G161-R164 PolarHBondContact O-NH1 3.47Å; G161-E229 VanDerWaalsContact CA-OE1 3.27Å; G161-E229 WeakPolarHBondContact CA-OE1 3.21Å
162	N	93.6	Very high	96.9	Very high	105 Å²	105	44 Å²	44	56%	0.561	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-13.9	177.6	-57.9	-59.6	0	0	0	113.1	Q160 R164 Y226 E229	Q160-N162 PolarHBondContact O-N 2.96Å; N162-R164 PolarHBondContact O-N 3.01Å; N162-Y226 HydrophobicContact CB-CD2 4.05Å; N162-Y226 HydrophobicContact CB-CE2 4.39Å; N162-Y226 WeakPolarHBondContact O-CE2 3.47Å; N162-E229 WeakPolarHBondContact CB-OE2 3.33Å; N162-E229 PolarHBondContact N-OE1 3.38Å; N162-E229 PolarHBondContact ND2-OE2 3.17Å
163	I	96.4	Very high	96.6	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	124.9	-173.9	-53	175.1	0	0	0	110.2	V158 Q160 L205 V207 E229 F233	V158-I163 HydrophobicContact CB-CG2 4.47Å; V158-I163 HydrophobicContact CG1-CB 4.26Å; V158-I163 HydrophobicContact CG1-CG2 3.83Å; Q160-I163 PolarHBondContact N-O 2.82Å; Q160-I163 WeakPolarHBondContact O-CB 3.47Å; Q160-I163 PolarHBondContact O-N 2.87Å; I163-L205 HydrophobicContact CG2-CD2 4.33Å; I163-V207 HydrophobicContact CG2-CG1 4.22Å; I163-E229 HydrophobicContact CD1-CG 4.09Å; I163-E229 HydrophobicContact CG1-CG 4.09Å; I163-F233 HydrophobicContact CD1-CB 3.47Å; I163-F233 VanDerWaalsContact CD1-CB 3.47Å; I163-F233 HydrophobicContact CD1-CD1 4.48Å; I163-F233 HydrophobicContact CD1-CD2 4.23Å; I163-F233 HydrophobicContact CD1-CG 3.82Å
164	R	95.9	Very high	96.3	Very high	30 Å²	30	50 Å²	50	11%	0.113	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	113.5	166.3	-59.7	-61.4	177.8	-86.8	-8.3	109.3	G161 N162 A208 D214 L215	G161-R164 PolarHBondContact O-NH1 3.47Å; N162-R164 PolarHBondContact O-N 3.01Å; R164-A208 PolarHBondContact O-N 3.33Å; R164-D214 WeakPolarHBondContact CD-OD1 3.44Å; R164-D214 IonicContact CZ-OD1 3.47Å; R164-D214 IonicContact CZ-OD2 3.58Å; R164-D214 IonicContact NE-OD1 2.67Å; R164-D214 PolarHBondContact NE-OD1 3.29Å; R164-D214 IonicContact NE-OD2 3.56Å; R164-D214 IonicContact NH2-OD1 3.44Å; R164-D214 PolarHBondContact NH2-OD1 2.94Å; R164-D214 IonicContact NH2-OD2 2.75Å; R164-D214 PolarHBondContact NH2-OD2 3.25Å; R164-L215 HydrophobicContact CB-CD1 3.9Å; R164-L215 HydrophobicContact CB-CG 4.22Å; R164-L215 HydrophobicContact CG-CD1 4.09Å; R164-L215 HydrophobicContact CG-CD2 4.11Å; R164-L215 HydrophobicContact CG-CG 3.84Å
165	G	96.4	Very high	96.1	Very high	3 Å²	3	49 Å²	49	3%	0.031	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.9	-165.4	-172.3	0	0	0	0	0	112.6	V158 T206	V158-G165 PolarHBondContact N-O 2.83Å; V158-G165 PolarHBondContact O-N 3.24Å; G165-T206 CarbonylContact C-O 3.54Å; G165-T206 WeakPolarHBondContact CA-O 3.27Å
166	V	98.1	Very high	96	Very high	4 Å²	4	47.3 Å²	47.3	2%	0.024	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	128.1	178.4	179.8	0	0	0	0	108.8	R155 F168 L189 E191 T206	R155-V166 HydrophobicContact CG-CG1 3.48Å; R155-V166 VanDerWaalsContact CG-CG1 3.48Å; V166-F168 HydrophobicContact CB-CE2 3.9Å; V166-F168 HydrophobicContact CB-CZ 4.46Å; V166-F168 HydrophobicContact CG1-CD2 3.97Å; V166-F168 HydrophobicContact CG1-CE1 4.38Å; V166-F168 HydrophobicContact CG1-CE2 3.39Å; V166-F168 HydrophobicContact CG1-CZ 3.62Å; V166-L189 HydrophobicContact CG2-CD2 3.81Å; V166-E191 HydrophobicContact CG2-CG 4.42Å; V166-T206 HydrophobicContact CB-CG2 4.15Å; V166-T206 PolarHBondContact N-O 3.33Å; V166-T206 PolarHBondContact O-N 3.45Å
167	L	98.6	Very high	95.9	Very high	8 Å²	8	45 Å²	45	4%	0.042	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	124	173.4	-176.4	68.6	0	0	0	109.2	V156 V158 L203 L205 F233 L234 Q237	V156-L167 PolarHBondContact N-O 2.71Å; V156-L167 PolarHBondContact O-N 2.86Å; V158-L167 HydrophobicContact CG2-CB 3.8Å; L167-L203 HydrophobicContact CD1-CD1 3.77Å; L167-L203 HydrophobicContact CD1-CG 4.06Å; L167-L203 HydrophobicContact CD2-CD1 4.34Å; L167-L203 HydrophobicContact CG-CD1 4.1Å; L167-L205 HydrophobicContact CB-CD1 4.36Å; L167-L205 HydrophobicContact CD1-CB 4.14Å; L167-F233 HydrophobicContact CD1-CE1 4.39Å; L167-F233 HydrophobicContact CD2-CE1 4.21Å; L167-F233 HydrophobicContact CD2-CZ 4.33Å; L167-L234 HydrophobicContact CD1-CD2 3.93Å; L167-Q237 HydrophobicContact CD2-CG 4.14Å
168	F	98.7	Very high	95.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	124	171.7	-69.4	-88	0	0	0	109.9	A121 M149 V153 S154 R155 V166 E191 A194 A195 A198 V204 T206	A121-F168 HydrophobicContact CB-CE1 3.79Å; A121-F168 HydrophobicContact CB-CZ 3.81Å; M149-F168 HydrophobicContact SD-CD1 4.22Å; M149-F168 HydrophobicContact SD-CE1 4.03Å; V153-F168 HydrophobicContact CG1-CB 4.47Å; V153-F168 HydrophobicContact CG1-CD1 4.21Å; S154-F168 CarbonylContact O-C 3.6Å; S154-F168 VanDerWaalsContact O-CA 3.27Å; S154-F168 WeakPolarHBondContact O-CA 3.49Å; R155-F168 HydrophobicContact CB-CD1 4.05Å; R155-F168 HydrophobicContact CB-CE1 3.71Å; R155-F168 HydrophobicContact CB-CZ 4.44Å; R155-F168 HydrophobicContact CG-CD1 4.23Å; R155-F168 HydrophobicContact CG-CE1 3.53Å; R155-F168 HydrophobicContact CG-CZ 3.77Å; V166-F168 HydrophobicContact CB-CE2 3.9Å; V166-F168 HydrophobicContact CB-CZ 4.46Å; V166-F168 HydrophobicContact CG1-CD2 3.97Å; V166-F168 HydrophobicContact CG1-CE1 4.38Å; V166-F168 HydrophobicContact CG1-CE2 3.39Å; V166-F168 HydrophobicContact CG1-CZ 3.62Å; F168-E191 HydrophobicContact CE2-CB 3.87Å; F168-E191 HydrophobicContact CE2-CG 4.03Å; F168-E191 HydrophobicContact CZ-CB 3.69Å; F168-E191 HydrophobicContact CZ-CG 3.95Å; F168-A194 HydrophobicContact CD2-CB 3.8Å; F168-A194 HydrophobicContact CE2-CB 4.18Å; F168-A195 HydrophobicContact CD1-CB 3.86Å; F168-A195 HydrophobicContact CE1-CB 3.59Å; F168-A195 HydrophobicContact CE2-CB 4.37Å; F168-A195 HydrophobicContact CG-CB 4.35Å; F168-A195 HydrophobicContact CZ-CB 3.89Å; F168-A198 HydrophobicContact CB-CB 3.47Å; F168-A198 VanDerWaalsContact CB-CB 3.47Å; F168-V204 PolarHBondContact N-O 2.68Å; F168-V204 PolarHBondContact O-N 2.93Å; F168-T206 HydrophobicContact CE2-CG2 4.11Å
169	T	98.4	Very high	96	Very high	21 Å²	21	41.1 Å²	41.1	13%	0.129	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.4	-178.1	-54.9	0	0	0	0	109.9	V153 S154 F176 L203 K239	V153-T169 CarbonylContact C-O 3.56Å; V153-T169 WeakPolarHBondContact CA-O 3.48Å; S154-T169 PolarHBondContact N-O 3.49Å; S154-T169 PolarHBondContact O-N 3.2Å; T169-F176 HydrophobicContact CG2-CE2 4.32Å; T169-L203 HydrophobicContact CG2-CD1 4.02Å; T169-L203 WeakPolarHBondContact OG1-CD1 3.46Å; T169-K239 HydrophobicContact CG2-CD 3.89Å
170	P	97.7	Very high	96	Very high	5 Å²	5	35 Å²	35	3%	0.032	21%	0.212	C	C	.	.			trans	-60	155.5	174.7	-20.5	30.6	0	0	0	112.5	F176 A198 G201 F202	P170-F176 HydrophobicContact CB-CD1 4.03Å; P170-F176 HydrophobicContact CB-CD2 4.29Å; P170-F176 HydrophobicContact CB-CE1 3.78Å; P170-F176 HydrophobicContact CB-CE2 4.03Å; P170-F176 HydrophobicContact CB-CG 4.28Å; P170-F176 HydrophobicContact CB-CZ 3.79Å; P170-F176 HydrophobicContact CG-CB 4.34Å; P170-F176 HydrophobicContact CG-CD1 3.94Å; P170-F176 HydrophobicContact CG-CD2 3.98Å; P170-F176 HydrophobicContact CG-CE1 4.21Å; P170-F176 HydrophobicContact CG-CE2 4.22Å; P170-F176 HydrophobicContact CG-CG 3.83Å; P170-F176 HydrophobicContact CG-CZ 4.35Å; P170-A198 WeakPolarHBondContact CB-O 3.49Å; P170-A198 WeakPolarHBondContact CG-O 3.35Å; P170-G201 VanDerWaalsContact CG-C 3.47Å; P170-F202 VanDerWaalsContact CD-O 3.3Å; P170-F202 WeakPolarHBondContact CD-O 3.28Å; P170-F202 VanDerWaalsContact CG-C 3.44Å; P170-F202 WeakPolarHBondContact CG-O 3.5Å
171	P	96.7	Very high	96.2	Very high	69 Å²	69	29.6 Å²	29.6	45%	0.448	19%	0.187	S	C	.	.	S	Bend	trans	-63.8	149	169.7	27.5	-34.1	0	0	0	111.5	F176	P171-F176 WeakPolarHBondContact O-CZ 3.33Å
172	G	94.6	Very high	96.3	Very high	42 Å²	42	27.1 Å²	27.1	43%	0.433	16%	0.162	S	C	.	.	S	Bend	trans	103.6	-179.9	178.1	0	0	0	0	0	114.5	K239	G172-K239 PolarHBondContact O-NZ 2.75Å
173	E	91.6	Very high	95.9	Very high	168 Å²	168	22.9 Å²	22.9	79%	0.785	14%	0.138	S	C	*	.	S	Bend	trans	-79	-20.2	-171.1	-62.9	-55	122	0	0	114
174	G	91.2	Very high	94.5	Very high	29 Å²	29	23 Å²	23	30%	0.299	14%	0.139	S	C	.	.			trans	72.8	-160.9	-172.3	0	0	0	0	0	113
175	P	94	Very high	93.1	Very high	36 Å²	36	23.9 Å²	23.9	23%	0.234	14%	0.143	C	C	.	.			cis	-67.1	154.1	-4.4	28.5	-34.1	0	0	0	112.5	K239 C432	P175-K239 CarbonylContact C-O 3.52Å; P175-K239 WeakPolarHBondContact CA-O 2.88Å; P175-C432 HydrophobicContact CG-CB 4.2Å
176	F	95.8	Very high	91.3	Very high	25 Å²	25	24.3 Å²	24.3	11%	0.11	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	148.4	178.8	-55.8	-65.5	0	0	0	111.1	T169 P170 P171 A178 L203 K239 G241	T169-F176 HydrophobicContact CG2-CE2 4.32Å; P170-F176 HydrophobicContact CB-CD1 4.03Å; P170-F176 HydrophobicContact CB-CD2 4.29Å; P170-F176 HydrophobicContact CB-CE1 3.78Å; P170-F176 HydrophobicContact CB-CE2 4.03Å; P170-F176 HydrophobicContact CB-CG 4.28Å; P170-F176 HydrophobicContact CB-CZ 3.79Å; P170-F176 HydrophobicContact CG-CB 4.34Å; P170-F176 HydrophobicContact CG-CD1 3.94Å; P170-F176 HydrophobicContact CG-CD2 3.98Å; P170-F176 HydrophobicContact CG-CE1 4.21Å; P170-F176 HydrophobicContact CG-CE2 4.22Å; P170-F176 HydrophobicContact CG-CG 3.83Å; P170-F176 HydrophobicContact CG-CZ 4.35Å; P171-F176 WeakPolarHBondContact O-CZ 3.33Å; F176-A178 PolarHBondContact O-N 3.31Å; F176-L203 HydrophobicContact CB-CB 3.99Å; F176-K239 HydrophobicContact CD2-CB 3.91Å; F176-K239 HydrophobicContact CD2-CD 4.47Å; F176-K239 HydrophobicContact CE2-CB 4.15Å; F176-K239 HydrophobicContact CE2-CD 3.89Å; F176-K239 PolarHBondContact N-O 3.08Å; F176-G241 PolarHBondContact O-N 2.77Å
177	P	96.6	Very high	89.5	Confident	20 Å²	20	27.7 Å²	27.7	13%	0.13	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	125.8	174.9	-4.1	15.8	0	0	0	109.3	G201 F202 L203 L430 C432	P177-G201 WeakPolarHBondContact CD-O 3.35Å; P177-F202 HydrophobicContact CB-CD1 3.92Å; P177-F202 HydrophobicContact CB-CE1 4.26Å; P177-F202 HydrophobicContact CG-CD1 3.89Å; P177-F202 HydrophobicContact CG-CE1 4.04Å; P177-F202 WeakPolarHBondContact O-CA 3.41Å; P177-L203 PolarHBondContact O-N 3.46Å; P177-L430 HydrophobicContact CB-CB 3.5Å; P177-L430 HydrophobicContact CB-CD1 3.9Å; P177-L430 HydrophobicContact CB-CG 4.37Å; P177-C432 VanDerWaalsContact CA-SG 3.5Å; P177-C432 WeakPolarHBondContact CD-SG 3.44Å; P177-C432 VanDerWaalsContact CG-SG 3.55Å
178	A	97.8	Very high	88.5	Confident	1 Å²	1	28.2 Å²	28.2	1%	0.008	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	134.1	-174.9	0	0	0	0	0	111.1	F176 L203 L234 A240 V245 G246	F176-A178 PolarHBondContact O-N 3.31Å; A178-L203 CarbonylContact C-O 3.5Å; A178-L203 VanDerWaalsContact CA-O 3.28Å; A178-L203 WeakPolarHBondContact CA-O 3.37Å; A178-L234 HydrophobicContact CB-CD2 4.45Å; A178-A240 HydrophobicContact CB-CB 4.28Å; A178-V245 HydrophobicContact CB-CG1 4.07Å; A178-V245 CarbonylContact O-C 3.58Å; A178-V245 WeakPolarHBondContact O-CA 3.46Å; A178-G246 PolarHBondContact O-N 3.18Å
179	V	98.4	Very high	88.1	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.1	-178.3	-179.7	0	0	0	0	110.2	F202 L203 V204 L205 G246 I248 F426 L430	V179-F202 HydrophobicContact CG2-CB 4.28Å; V179-F202 HydrophobicContact CG2-CD1 4.19Å; V179-F202 HydrophobicContact CG2-CG 4.45Å; V179-L203 PolarHBondContact N-O 2.88Å; V179-V204 HydrophobicContact CB-CG1 4.2Å; V179-V204 HydrophobicContact CB-CG2 4.19Å; V179-V204 HydrophobicContact CG1-CG1 4.31Å; V179-V204 WeakPolarHBondContact O-CA 3.5Å; V179-L205 PolarHBondContact O-N 2.77Å; V179-G246 CarbonylContact C-O 3.59Å; V179-G246 WeakPolarHBondContact CA-O 3.24Å; V179-I248 HydrophobicContact CG1-CG2 3.88Å; V179-F426 HydrophobicContact CG1-CE2 3.9Å; V179-F426 HydrophobicContact CG1-CZ 3.96Å; V179-F426 HydrophobicContact CG2-CD2 4.16Å; V179-F426 HydrophobicContact CG2-CE2 4.17Å; V179-F426 HydrophobicContact CG2-CG 4.39Å; V179-F426 HydrophobicContact CG2-CZ 4.43Å; V179-L430 HydrophobicContact CG2-CD1 3.82Å
180	L	98.4	Very high	87.8	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	115.4	166.6	-179.4	60.7	0	0	0	109	L182 L205 V207 F227 C230 I231 L234 G246 V247 I248	L180-L182 HydrophobicContact CD1-CD2 4.19Å; L180-L182 HydrophobicContact CD2-CD2 3.98Å; L180-L182 HydrophobicContact CG-CD2 3.75Å; L180-L182 HydrophobicContact CG-CG 4.32Å; L180-L205 HydrophobicContact CD1-CB 4.48Å; L180-L205 HydrophobicContact CD1-CD2 4.16Å; L180-L205 HydrophobicContact CD1-CG 4.37Å; L180-V207 HydrophobicContact CD1-CG1 4.04Å; L180-V207 HydrophobicContact CD1-CG2 4.12Å; L180-F227 HydrophobicContact CD2-CD1 4.48Å; L180-C230 HydrophobicContact CD1-CB 3.98Å; L180-C230 HydrophobicContact CD2-CB 4.15Å; L180-I231 HydrophobicContact CD2-CG1 4.45Å; L180-L234 HydrophobicContact CB-CD1 3.93Å; L180-G246 PolarHBondContact N-O 3.3Å; L180-V247 HydrophobicContact CB-CG2 4.4Å; L180-V247 WeakPolarHBondContact O-CA 3.42Å; L180-I248 PolarHBondContact O-N 2.65Å
181	D	98.1	Very high	87.8	Confident	1 Å²	1	28.6 Å²	28.6	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	113.2	177.9	-176.1	12	0	0	0	110.6	R193 A194 V204 L205 V207 I248	D181-R193 IonicContact OD1-CZ 3.49Å; D181-R193 IonicContact OD1-NE 2.64Å; D181-R193 PolarHBondContact OD1-NE 3Å; D181-R193 IonicContact OD1-NH2 2.88Å; D181-R193 PolarHBondContact OD1-NH2 3.44Å; D181-R193 WeakPolarHBondContact OD2-CB 3.49Å; D181-R193 IonicContact OD2-NE 2.71Å; D181-A194 HydrophobicContact CB-CB 4.35Å; D181-A194 PolarHBondContact OD2-N 2.72Å; D181-V204 HydrophobicContact CB-CG1 3.85Å; D181-L205 PolarHBondContact N-O 3.13Å; D181-V207 PolarHBondContact O-N 3.46Å; D181-I248 HydrophobicContact CB-CG2 4.01Å
182	L	95.5	Very high	87.7	Confident	0 Å²	0	26.7 Å²	26.7	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	100.9	177.9	-55.1	-175.3	0	0	0	109.5	L180 R193 V207 F227 V247 I248 S253 L256 A257	L180-L182 HydrophobicContact CD1-CD2 4.19Å; L180-L182 HydrophobicContact CD2-CD2 3.98Å; L180-L182 HydrophobicContact CG-CD2 3.75Å; L180-L182 HydrophobicContact CG-CG 4.32Å; L182-R193 PolarHBondContact O-NH2 2.75Å; L182-V207 HydrophobicContact CD2-CG2 3.78Å; L182-F227 HydrophobicContact CD1-CD1 4.48Å; L182-F227 HydrophobicContact CD1-CE1 4.35Å; L182-F227 HydrophobicContact CD2-CD1 3.91Å; L182-F227 HydrophobicContact CD2-CE1 3.74Å; L182-V247 HydrophobicContact CD1-CG1 3.77Å; L182-V247 HydrophobicContact CG-CG1 4.07Å; L182-I248 PolarHBondContact N-O 3.31Å; L182-S253 PolarHBondContact O-OG 3.04Å; L182-L256 HydrophobicContact CD1-CB 4.42Å; L182-A257 HydrophobicContact CD1-CB 4.26Å
183	Y	84	Confident	87.8	Confident	17 Å²	17	24.9 Å²	24.9	7%	0.067	16%	0.157	C	C	.	.			trans	-122.5	58.1	173.4	-159.1	-89.4	0	0	0	109.9	S190 L250 E383	Y183-S190 VanDerWaalsContact CD1-CB 3.47Å; Y183-L250 HydrophobicContact CE2-CD2 3.74Å; Y183-E383 WeakPolarHBondContact CE2-OE1 3.31Å; Y183-E383 VanDerWaalsContact CZ-OE1 3.23Å; Y183-E383 PolarHBondContact OH-OE1 3.2Å
184	T	68.4	Low	88.1	Confident	3 Å²	3	16.9 Å²	16.9	2%	0.018	12%	0.119	C	C	.	.			trans	-81.7	-39.5	-160.2	51.1	0	0	0	0	114.8	L209 S253	T184-L209 HydrophobicContact CG2-CB 3.78Å; T184-L209 HydrophobicContact CG2-CD2 4.34Å; T184-S253 WeakPolarHBondContact OG1-CB 3.39Å
185	F	66.7	Low	88.5	Confident	49 Å²	49	15.5 Å²	15.5	22%	0.215	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	8.9	-173.2	-71.8	-83.7	0	0	0	114.2	G187 L209 Y210 I219 K252 F282	F185-G187 VanDerWaalsContact C-N 3.26Å; F185-G187 PolarHBondContact O-N 3.24Å; F185-L209 HydrophobicContact CE2-CD2 3.86Å; F185-L209 HydrophobicContact CZ-CD2 3.9Å; F185-Y210 AromaticContact CD1-CE1 3.63Å; F185-Y210 HydrophobicContact CD1-CE1 3.63Å; F185-Y210 AromaticContact CD1-CZ 3.91Å; F185-Y210 WeakPolarHBondContact CD1-OH 3.43Å; F185-Y210 HydrophobicContact CE1-CD1 4.34Å; F185-Y210 AromaticContact CE1-CE1 3.43Å; F185-Y210 HydrophobicContact CE1-CE1 3.43Å; F185-Y210 VanDerWaalsContact CE1-CE1 3.43Å; F185-Y210 AromaticContact CE1-CZ 3.98Å; F185-Y210 HydrophobicContact CG-CE1 4.38Å; F185-Y210 HydrophobicContact CZ-CE1 4.07Å; F185-I219 HydrophobicContact CZ-CD1 4.39Å; F185-K252 HydrophobicContact CB-CB 4.22Å; F185-K252 HydrophobicContact CB-CG 4.46Å; F185-K252 HydrophobicContact CD1-CG 4.48Å; F185-K252 HydrophobicContact CD2-CB 3.72Å; F185-K252 HydrophobicContact CD2-CG 3.18Å; F185-K252 HydrophobicContact CE2-CB 4.4Å; F185-K252 HydrophobicContact CE2-CD 4.4Å; F185-K252 HydrophobicContact CE2-CG 3.39Å; F185-K252 HydrophobicContact CG-CB 4.1Å; F185-K252 HydrophobicContact CG-CG 3.79Å; F185-K252 HydrophobicContact CZ-CG 4.15Å; F185-F282 HydrophobicContact CE1-CD2 4.24Å; F185-F282 AromaticContact CE1-CE2 3.45Å; F185-F282 HydrophobicContact CE1-CE2 3.45Å; F185-F282 VanDerWaalsContact CE1-CE2 3.45Å; F185-F282 HydrophobicContact CE1-CZ 4.24Å; F185-F282 AromaticContact CZ-CD2 3.85Å; F185-F282 HydrophobicContact CZ-CD2 3.85Å; F185-F282 AromaticContact CZ-CE2 3.53Å; F185-F282 HydrophobicContact CZ-CE2 3.53Å
186	G	59.1	Low	88.7	Confident	13 Å²	13	13.8 Å²	13.8	13%	0.134	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	10.7	-179.8	0	0	0	0	0	115.6	R115	R115-G186 PolarHBondContact NH2-O 3.25Å
187	G	59.5	Low	88.8	Confident	75 Å²	75	12.6 Å²	12.6	77%	0.773	9%	0.089	S	C	*	.	T	Hydrogen-bonded Turn	trans	104.7	29.8	-179.9	0	0	0	0	0	115.4	F185	F185-G187 VanDerWaalsContact C-N 3.26Å; F185-G187 PolarHBondContact O-N 3.24Å
188	G	77.3	Confident	88.9	Confident	19 Å²	19	11.7 Å²	11.7	20%	0.196	8%	0.083	C	C	.	.	S	Bend	trans	110.5	-164.6	-179.6	0	0	0	0	0	112.5	S190	G188-S190 PolarHBondContact O-N 2.74Å
189	L	89.9	Confident	89	Confident	18 Å²	18	13 Å²	13	9%	0.094	9%	0.091	C	C	.	.			trans	-67.5	128.5	179	-172.2	69.9	0	0	0	111	V166 T206 V207 A208	V166-L189 HydrophobicContact CG2-CD2 3.81Å; L189-T206 HydrophobicContact CD1-CG2 4.07Å; L189-V207 VanDerWaalsContact CD1-C 3.47Å; L189-A208 HydrophobicContact CB-CB 4.33Å; L189-A208 HydrophobicContact CD1-CB 4.33Å
190	S	93.2	Very high	88.9	Confident	3 Å²	3	15.9 Å²	15.9	2%	0.021	10%	0.103	C	C	.	.			trans	-117.3	126.5	170.7	-175.7	0	0	0	0	110.3	Y183 G188 T206	Y183-S190 VanDerWaalsContact CD1-CB 3.47Å; G188-S190 PolarHBondContact O-N 2.74Å; S190-T206 PolarHBondContact O-OG1 2.74Å
191	E	96.3	Very high	88.8	Confident	13 Å²	13	17.2 Å²	17.2	6%	0.061	12%	0.116	C	C	.	.			trans	-94.8	-10.7	178.1	-60.6	176.5	-168.1	0	0	112.5	T119 A121 R155 V166 F168 R193 A194 A195 T206	T119-E191 WeakPolarHBondContact O-CB 3.44Å; T119-E191 PolarHBondContact O-N 3.05Å; A121-E191 HydrophobicContact CB-CB 4.06Å; A121-E191 VanDerWaalsContact CB-OE2 3.22Å; A121-E191 WeakPolarHBondContact CB-OE2 3.39Å; A121-E191 PolarHBondContact N-OE2 3.28Å; R155-E191 IonicContact CZ-OE1 3.43Å; R155-E191 IonicContact CZ-OE2 3.64Å; R155-E191 IonicContact NE-OE1 3.36Å; R155-E191 PolarHBondContact NE-OE1 2.96Å; R155-E191 IonicContact NE-OE2 2.82Å; R155-E191 PolarHBondContact NE-OE2 2.69Å; R155-E191 IonicContact NH2-OE1 2.69Å; R155-E191 PolarHBondContact NH2-OE1 2.61Å; R155-E191 IonicContact NH2-OE2 3.61Å; V166-E191 HydrophobicContact CG2-CG 4.42Å; F168-E191 HydrophobicContact CE2-CB 3.87Å; F168-E191 HydrophobicContact CE2-CG 4.03Å; F168-E191 HydrophobicContact CZ-CB 3.69Å; F168-E191 HydrophobicContact CZ-CG 3.95Å; E191-R193 PolarHBondContact O-N 3.31Å; E191-A194 PolarHBondContact O-N 2.88Å; E191-A195 WeakPolarHBondContact O-CB 3.38Å; E191-A195 PolarHBondContact O-N 2.77Å; E191-T206 HydrophobicContact CG-CG2 4.46Å
192	K	96.1	Very high	88.8	Confident	29 Å²	29	17.2 Å²	17.2	13%	0.126	12%	0.116	C	C	.	.	H	α-helix	trans	-54.2	-56.5	-172.1	-177.7	179.5	58.9	163.8	0	113	K118 L148 L196 E383 P384	K118-K192 WeakPolarHBondContact O-CB 3.44Å; L148-K192 HydrophobicContact CD1-CB 4.07Å; L148-K192 HydrophobicContact CD1-CG 4.35Å; L148-K192 HydrophobicContact CD2-CB 4.36Å; L148-K192 HydrophobicContact CD2-CG 3.76Å; K192-L196 HydrophobicContact CG-CD1 4.16Å; K192-L196 WeakPolarHBondContact O-CB 3.27Å; K192-L196 WeakPolarHBondContact O-CD1 3.34Å; K192-L196 WeakPolarHBondContact O-CG 3.34Å; K192-L196 PolarHBondContact O-N 2.68Å; K192-E383 WeakPolarHBondContact CE-OE2 3.41Å; K192-E383 IonicContact NZ-OE2 2.64Å; K192-E383 PolarHBondContact NZ-OE2 2.64Å; K192-P384 HydrophobicContact CG-CG 4.37Å
193	R	96.6	Very high	89	Confident	4 Å²	4	17.3 Å²	17.3	2%	0.015	12%	0.117	C	C	.	.	H	α-helix	trans	-69.3	-43.4	-176.2	179.2	163.9	66.3	-164.4	5.5	111.5	D181 L182 E191 L197 P384 W419	D181-R193 IonicContact OD1-CZ 3.49Å; D181-R193 IonicContact OD1-NE 2.64Å; D181-R193 PolarHBondContact OD1-NE 3Å; D181-R193 IonicContact OD1-NH2 2.88Å; D181-R193 PolarHBondContact OD1-NH2 3.44Å; D181-R193 WeakPolarHBondContact OD2-CB 3.49Å; D181-R193 IonicContact OD2-NE 2.71Å; L182-R193 PolarHBondContact O-NH2 2.75Å; E191-R193 PolarHBondContact O-N 3.31Å; R193-L197 HydrophobicContact CG-CD1 4.16Å; R193-L197 WeakPolarHBondContact O-CB 3.37Å; R193-L197 WeakPolarHBondContact O-CG 3.29Å; R193-L197 PolarHBondContact O-N 3.04Å; R193-P384 HydrophobicContact CB-CG 4.11Å; R193-P384 HydrophobicContact CG-CG 4.43Å; R193-W419 HydrophobicContact CG-CH2 4.14Å; R193-W419 HydrophobicContact CG-CZ3 4Å
194	A	98.1	Very high	89.7	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.4	-46.7	178.2	0	0	0	0	0	114	F168 D181 E191 L196 L197 A198 V204 T206	F168-A194 HydrophobicContact CD2-CB 3.8Å; F168-A194 HydrophobicContact CE2-CB 4.18Å; D181-A194 HydrophobicContact CB-CB 4.35Å; D181-A194 PolarHBondContact OD2-N 2.72Å; E191-A194 PolarHBondContact O-N 2.88Å; A194-L196 VanDerWaalsContact C-N 3.35Å; A194-L196 PolarHBondContact O-N 2.89Å; A194-L197 PolarHBondContact O-N 3.11Å; A194-A198 WeakPolarHBondContact O-CB 3.34Å; A194-A198 PolarHBondContact O-N 3.11Å; A194-V204 HydrophobicContact CB-CB 4.02Å; A194-V204 HydrophobicContact CB-CG1 3.54Å; A194-T206 HydrophobicContact CB-CG2 3.85Å
195	A	98.5	Very high	91.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-63.9	-40.6	179.3	0	0	0	0	0	111.9	A121 L148 F168 E191 A198 S199	A121-A195 HydrophobicContact CB-CB 3.91Å; L148-A195 HydrophobicContact CB-CB 4.08Å; L148-A195 CarbonylContact O-C 3.58Å; L148-A195 VanDerWaalsContact O-CB 3.24Å; L148-A195 WeakPolarHBondContact O-CB 3.26Å; F168-A195 HydrophobicContact CD1-CB 3.86Å; F168-A195 HydrophobicContact CE1-CB 3.59Å; F168-A195 HydrophobicContact CE2-CB 4.37Å; F168-A195 HydrophobicContact CG-CB 4.35Å; F168-A195 HydrophobicContact CZ-CB 3.89Å; E191-A195 WeakPolarHBondContact O-CB 3.38Å; E191-A195 PolarHBondContact O-N 2.77Å; A195-A198 PolarHBondContact O-N 3.13Å; A195-S199 PolarHBondContact O-N 2.87Å; A195-S199 VanDerWaalsContact O-N 3.1Å; A195-S199 PolarHBondContact O-OG 3Å
196	L	98.6	Very high	92.6	Very high	0 Å²	0	14 Å²	14	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-67.9	-43	176.7	-67.8	170.2	0	0	0	111.4	L37 F38 D39 L148 K192 A194 A198 S199 R200 P384 W419	L37-L196 HydrophobicContact CB-CD2 4.44Å; F38-L196 HydrophobicContact CB-CD1 4.48Å; F38-L196 HydrophobicContact CB-CD2 4.23Å; D39-L196 HydrophobicContact CB-CD1 4.22Å; D39-L196 HydrophobicContact CB-CD2 4.29Å; L148-L196 HydrophobicContact CD2-CD1 4.15Å; L148-L196 HydrophobicContact CD2-CD2 4.45Å; L148-L196 HydrophobicContact CD2-CG 4.24Å; L148-L196 WeakPolarHBondContact O-CD2 3.39Å; L148-L196 PolarHBondContact O-N 2.98Å; K192-L196 HydrophobicContact CG-CD1 4.16Å; K192-L196 WeakPolarHBondContact O-CB 3.27Å; K192-L196 WeakPolarHBondContact O-CD1 3.34Å; K192-L196 WeakPolarHBondContact O-CG 3.34Å; K192-L196 PolarHBondContact O-N 2.68Å; A194-L196 VanDerWaalsContact C-N 3.35Å; A194-L196 PolarHBondContact O-N 2.89Å; L196-A198 VanDerWaalsContact C-N 3.32Å; L196-A198 PolarHBondContact O-N 3.27Å; L196-S199 WeakPolarHBondContact O-CB 3.5Å; L196-S199 PolarHBondContact O-N 3.26Å; L196-S199 VanDerWaalsContact O-N 3.17Å; L196-R200 WeakPolarHBondContact O-CG 3.35Å; L196-R200 PolarHBondContact O-N 3.44Å; L196-P384 HydrophobicContact CD1-CB 3.55Å; L196-P384 HydrophobicContact CD1-CG 4.03Å; L196-W419 HydrophobicContact CB-CH2 4.08Å; L196-W419 HydrophobicContact CB-CZ2 3.64Å
197	L	98.6	Very high	94.4	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-61.1	-39.1	173.2	-78.6	173.5	0	0	0	112.2	R193 A194 S199 R200 G201 F202 V204 I248 W419 I422 Q423	R193-L197 HydrophobicContact CG-CD1 4.16Å; R193-L197 WeakPolarHBondContact O-CB 3.37Å; R193-L197 WeakPolarHBondContact O-CG 3.29Å; R193-L197 PolarHBondContact O-N 3.04Å; A194-L197 PolarHBondContact O-N 3.11Å; L197-S199 PolarHBondContact O-N 3.26Å; L197-R200 CarbonylContact O-C 3.58Å; L197-R200 WeakPolarHBondContact O-CA 3.23Å; L197-R200 WeakPolarHBondContact O-CB 3.38Å; L197-R200 PolarHBondContact O-N 3.07Å; L197-G201 PolarHBondContact O-N 2.87Å; L197-F202 HydrophobicContact CB-CB 4.42Å; L197-F202 HydrophobicContact CB-CD2 4.21Å; L197-F202 HydrophobicContact CD2-CD2 3.92Å; L197-F202 HydrophobicContact CD2-CE2 4.12Å; L197-F202 WeakPolarHBondContact O-CD2 3.49Å; L197-F202 PolarHBondContact O-N 2.86Å; L197-V204 HydrophobicContact CB-CG2 3.71Å; L197-I248 HydrophobicContact CD1-CG2 4.44Å; L197-W419 HydrophobicContact CD2-CH2 3.87Å; L197-W419 HydrophobicContact CD2-CZ2 4.26Å; L197-W419 HydrophobicContact CD2-CZ3 4.34Å; L197-W419 HydrophobicContact CG-CH2 3.68Å; L197-W419 HydrophobicContact CG-CZ2 4.33Å; L197-W419 HydrophobicContact CG-CZ3 4.34Å; L197-I422 HydrophobicContact CD2-CG2 4Å; L197-Q423 HydrophobicContact CD2-CG 4.33Å
198	A	98.6	Very high	96	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-63	-34.6	176.2	0	0	0	0	0	112.8	V153 F168 P170 A194 A195 L196 R200 G201 F202	V153-A198 HydrophobicContact CG1-CB 3.78Å; F168-A198 HydrophobicContact CB-CB 3.47Å; F168-A198 VanDerWaalsContact CB-CB 3.47Å; P170-A198 WeakPolarHBondContact CB-O 3.49Å; P170-A198 WeakPolarHBondContact CG-O 3.35Å; A194-A198 WeakPolarHBondContact O-CB 3.34Å; A194-A198 PolarHBondContact O-N 3.11Å; A195-A198 PolarHBondContact O-N 3.13Å; L196-A198 VanDerWaalsContact C-N 3.32Å; L196-A198 PolarHBondContact O-N 3.27Å; A198-R200 PolarHBondContact O-N 3.3Å; A198-R200 VanDerWaalsContact O-N 3.13Å; A198-G201 PolarHBondContact O-N 2.93Å; A198-G201 VanDerWaalsContact O-N 3.13Å; A198-F202 WeakPolarHBondContact CA-O 3.4Å
199	S	98.3	Very high	96.6	Very high	28 Å²	28	10 Å²	10	20%	0.196	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-9.9	171.2	-49.5	0	0	0	0	113.2	G150 A195 L196 L197	G150-S199 PolarHBondContact N-OG 3.44Å; A195-S199 PolarHBondContact O-N 2.87Å; A195-S199 VanDerWaalsContact O-N 3.1Å; A195-S199 PolarHBondContact O-OG 3Å; L196-S199 WeakPolarHBondContact O-CB 3.5Å; L196-S199 PolarHBondContact O-N 3.26Å; L196-S199 VanDerWaalsContact O-N 3.17Å; L197-S199 PolarHBondContact O-N 3.26Å
200	R	97.6	Very high	96.6	Very high	62 Å²	62	11.2 Å²	11.2	23%	0.234	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	11.8	176.7	-53.5	-58.4	176.9	-162.9	-1.6	113.5	D39 E40 L196 L197 A198 F202 Q423 R427	D39-R200 IonicContact OD1-CZ 3.14Å; D39-R200 IonicContact OD1-NH2 2.75Å; D39-R200 PolarHBondContact OD1-NH2 3.27Å; D39-R200 IonicContact OD2-CZ 2.82Å; D39-R200 IonicContact OD2-NE 3.72Å; D39-R200 PolarHBondContact OD2-NE 2.88Å; D39-R200 IonicContact OD2-NH2 3.62Å; D39-R200 PolarHBondContact OD2-NH2 2.98Å; E40-R200 IonicContact OE1-CZ 2.55Å; E40-R200 IonicContact OE1-NH1 3.64Å; E40-R200 PolarHBondContact OE1-NH1 3.1Å; E40-R200 IonicContact OE1-NH2 2.71Å; E40-R200 PolarHBondContact OE1-NH2 3.28Å; L196-R200 WeakPolarHBondContact O-CG 3.35Å; L196-R200 PolarHBondContact O-N 3.44Å; L197-R200 CarbonylContact O-C 3.58Å; L197-R200 WeakPolarHBondContact O-CA 3.23Å; L197-R200 WeakPolarHBondContact O-CB 3.38Å; L197-R200 PolarHBondContact O-N 3.07Å; A198-R200 PolarHBondContact O-N 3.3Å; A198-R200 VanDerWaalsContact O-N 3.13Å; R200-F202 HydrophobicContact CB-CD2 4.26Å; R200-F202 HydrophobicContact CB-CE2 4.23Å; R200-Q423 HydrophobicContact CB-CG 4.45Å; R200-Q423 HydrophobicContact CG-CG 4.5Å; R200-R427 PolarHBondContact O-NH2 3.27Å; R200-R427 VanDerWaalsContact O-NH2 3.09Å
201	G	96.8	Very high	96.3	Very high	28 Å²	28	13.2 Å²	13.2	29%	0.289	8%	0.08	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.6	17.4	171	0	0	0	0	0	115.7	P170 P177 L197 A198	P170-G201 VanDerWaalsContact CG-C 3.47Å; P177-G201 WeakPolarHBondContact CD-O 3.35Å; L197-G201 PolarHBondContact O-N 2.87Å; A198-G201 PolarHBondContact O-N 2.93Å; A198-G201 VanDerWaalsContact O-N 3.13Å
202	F	97.9	Very high	96	Very high	1 Å²	1	15 Å²	15	0%	0.004	9%	0.089	C	C	.	.			trans	-105.3	136.7	179	-59.1	-76.4	0	0	0	112.3	P170 P177 V179 L197 A198 R200 V204 Q423 F426 R427	P170-F202 VanDerWaalsContact CD-O 3.3Å; P170-F202 WeakPolarHBondContact CD-O 3.28Å; P170-F202 VanDerWaalsContact CG-C 3.44Å; P170-F202 WeakPolarHBondContact CG-O 3.5Å; P177-F202 HydrophobicContact CB-CD1 3.92Å; P177-F202 HydrophobicContact CB-CE1 4.26Å; P177-F202 HydrophobicContact CG-CD1 3.89Å; P177-F202 HydrophobicContact CG-CE1 4.04Å; P177-F202 WeakPolarHBondContact O-CA 3.41Å; V179-F202 HydrophobicContact CG2-CB 4.28Å; V179-F202 HydrophobicContact CG2-CD1 4.19Å; V179-F202 HydrophobicContact CG2-CG 4.45Å; L197-F202 HydrophobicContact CB-CB 4.42Å; L197-F202 HydrophobicContact CB-CD2 4.21Å; L197-F202 HydrophobicContact CD2-CD2 3.92Å; L197-F202 HydrophobicContact CD2-CE2 4.12Å; L197-F202 WeakPolarHBondContact O-CD2 3.49Å; L197-F202 PolarHBondContact O-N 2.86Å; A198-F202 WeakPolarHBondContact CA-O 3.4Å; R200-F202 HydrophobicContact CB-CD2 4.26Å; R200-F202 HydrophobicContact CB-CE2 4.23Å; F202-V204 HydrophobicContact CB-CG2 3.68Å; F202-V204 WeakPolarHBondContact O-CG2 3.04Å; F202-V204 PolarHBondContact O-N 3.05Å; F202-Q423 HydrophobicContact CE2-CB 4.28Å; F202-Q423 HydrophobicContact CE2-CG 4.26Å; F202-F426 HydrophobicContact CD1-CB 4.31Å; F202-F426 HydrophobicContact CE1-CB 3.47Å; F202-F426 VanDerWaalsContact CE1-CB 3.47Å; F202-F426 HydrophobicContact CZ-CB 3.73Å; F202-R427 HydrophobicContact CE1-CG 4.21Å; F202-R427 HydrophobicContact CZ-CG 3.8Å
203	L	98.3	Very high	95.8	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	111.3	168.2	176.9	70.4	0	0	0	108	L167 T169 F176 P177 A178 V179 L234 Q237 A240	L167-L203 HydrophobicContact CD1-CD1 3.77Å; L167-L203 HydrophobicContact CD1-CG 4.06Å; L167-L203 HydrophobicContact CD2-CD1 4.34Å; L167-L203 HydrophobicContact CG-CD1 4.1Å; T169-L203 HydrophobicContact CG2-CD1 4.02Å; T169-L203 WeakPolarHBondContact OG1-CD1 3.46Å; F176-L203 HydrophobicContact CB-CB 3.99Å; P177-L203 PolarHBondContact O-N 3.46Å; A178-L203 CarbonylContact C-O 3.5Å; A178-L203 VanDerWaalsContact CA-O 3.28Å; A178-L203 WeakPolarHBondContact CA-O 3.37Å; V179-L203 PolarHBondContact N-O 2.88Å; L203-L234 HydrophobicContact CG-CD2 4.5Å; L203-Q237 HydrophobicContact CD2-CB 3.77Å; L203-Q237 HydrophobicContact CD2-CG 4.09Å; L203-A240 HydrophobicContact CD2-CB 3.75Å
204	V	98.6	Very high	95.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123.9	-169.9	-165.3	0	0	0	0	112.2	F168 V179 D181 A194 L197 F202	F168-V204 PolarHBondContact N-O 2.68Å; F168-V204 PolarHBondContact O-N 2.93Å; V179-V204 HydrophobicContact CB-CG1 4.2Å; V179-V204 HydrophobicContact CB-CG2 4.19Å; V179-V204 HydrophobicContact CG1-CG1 4.31Å; V179-V204 WeakPolarHBondContact O-CA 3.5Å; D181-V204 HydrophobicContact CB-CG1 3.85Å; A194-V204 HydrophobicContact CB-CB 4.02Å; A194-V204 HydrophobicContact CB-CG1 3.54Å; L197-V204 HydrophobicContact CB-CG2 3.71Å; F202-V204 HydrophobicContact CB-CG2 3.68Å; F202-V204 WeakPolarHBondContact O-CG2 3.04Å; F202-V204 PolarHBondContact O-N 3.05Å
205	L	98.5	Very high	95.2	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116.1	167	177.8	69.1	0	0	0	108.6	V158 I163 L167 V179 L180 D181 V207 C230 F233 L234	V158-L205 HydrophobicContact CB-CD1 4.4Å; V158-L205 HydrophobicContact CG2-CD1 4.02Å; I163-L205 HydrophobicContact CG2-CD2 4.33Å; L167-L205 HydrophobicContact CB-CD1 4.36Å; L167-L205 HydrophobicContact CD1-CB 4.14Å; V179-L205 PolarHBondContact O-N 2.77Å; L180-L205 HydrophobicContact CD1-CB 4.48Å; L180-L205 HydrophobicContact CD1-CD2 4.16Å; L180-L205 HydrophobicContact CD1-CG 4.37Å; D181-L205 PolarHBondContact N-O 3.13Å; L205-V207 HydrophobicContact CD1-CG1 4.23Å; L205-V207 HydrophobicContact CD2-CG1 3.76Å; L205-V207 HydrophobicContact CG-CG1 3.65Å; L205-C230 HydrophobicContact CD2-CB 4.14Å; L205-F233 HydrophobicContact CD1-CE1 4.25Å; L205-F233 HydrophobicContact CD2-CD1 3.89Å; L205-F233 HydrophobicContact CD2-CE1 4.33Å; L205-L234 HydrophobicContact CB-CD1 4.02Å; L205-L234 HydrophobicContact CB-CD2 3.61Å; L205-L234 HydrophobicContact CB-CG 3.87Å; L205-L234 HydrophobicContact CD2-CG 4.17Å
206	T	97.9	Very high	94.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	138.3	165	179.1	0	0	0	0	109.3	G165 V166 F168 L189 S190 E191 A194	G165-T206 CarbonylContact C-O 3.54Å; G165-T206 WeakPolarHBondContact CA-O 3.27Å; V166-T206 HydrophobicContact CB-CG2 4.15Å; V166-T206 PolarHBondContact N-O 3.33Å; V166-T206 PolarHBondContact O-N 3.45Å; F168-T206 HydrophobicContact CE2-CG2 4.11Å; L189-T206 HydrophobicContact CD1-CG2 4.07Å; S190-T206 PolarHBondContact O-OG1 2.74Å; E191-T206 HydrophobicContact CG-CG2 4.46Å; A194-T206 HydrophobicContact CB-CG2 3.85Å
207	V	96.4	Very high	94.1	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.8	-174.7	-61.3	0	0	0	0	112.7	I163 L180 D181 L182 L189 L205 Y226	I163-V207 HydrophobicContact CG2-CG1 4.22Å; L180-V207 HydrophobicContact CD1-CG1 4.04Å; L180-V207 HydrophobicContact CD1-CG2 4.12Å; D181-V207 PolarHBondContact O-N 3.46Å; L182-V207 HydrophobicContact CD2-CG2 3.78Å; L189-V207 VanDerWaalsContact CD1-C 3.47Å; L205-V207 HydrophobicContact CD1-CG1 4.23Å; L205-V207 HydrophobicContact CD2-CG1 3.76Å; L205-V207 HydrophobicContact CG-CG1 3.65Å; V207-Y226 HydrophobicContact CB-CE1 4.38Å; V207-Y226 HydrophobicContact CG2-CE1 4.12Å
208	A	94.2	Very high	93.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.008	23%	0.234	C	C	.	.			trans	-86.7	153.3	167.2	0	0	0	0	0	109.9	R164 L189 H212 L215 Y226	R164-A208 PolarHBondContact O-N 3.33Å; L189-A208 HydrophobicContact CB-CB 4.33Å; L189-A208 HydrophobicContact CD1-CB 4.33Å; A208-H212 HydrophobicContact CB-CB 3.45Å; A208-H212 VanDerWaalsContact CB-CB 3.45Å; A208-L215 HydrophobicContact CB-CD1 3.93Å; A208-Y226 PolarHBondContact O-OH 2.78Å
209	L	90.2	Very high	93.1	Very high	21 Å²	21	44.4 Å²	44.4	11%	0.11	24%	0.243	C	C	.	.	S	Bend	trans	-107.3	-31.6	173.5	-177.7	62.5	0	0	0	112.1	T184 F185 I219 V222 Y226 F227 L256	T184-L209 HydrophobicContact CG2-CB 3.78Å; T184-L209 HydrophobicContact CG2-CD2 4.34Å; F185-L209 HydrophobicContact CE2-CD2 3.86Å; F185-L209 HydrophobicContact CZ-CD2 3.9Å; L209-I219 HydrophobicContact CD2-CD1 3.84Å; L209-I219 HydrophobicContact CG-CD1 4.02Å; L209-V222 HydrophobicContact CD1-CG1 4.26Å; L209-V222 HydrophobicContact CD2-CG2 4.07Å; L209-Y226 HydrophobicContact CD1-CD1 4.3Å; L209-Y226 HydrophobicContact CD1-CE1 4.48Å; L209-F227 HydrophobicContact CD1-CZ 4.09Å; L209-L256 HydrophobicContact CD2-CD1 4.21Å
210	Y	89.6	Confident	92.8	Very high	44 Å²	44	51.8 Å²	51.8	17%	0.173	27%	0.271	C	S	.	.	S	Bend	trans	-159.5	165.4	-179.4	67	-85.5	0	0	0	109.6	F185 H212 P216 K217 I219	F185-Y210 AromaticContact CD1-CE1 3.63Å; F185-Y210 HydrophobicContact CD1-CE1 3.63Å; F185-Y210 AromaticContact CD1-CZ 3.91Å; F185-Y210 WeakPolarHBondContact CD1-OH 3.43Å; F185-Y210 HydrophobicContact CE1-CD1 4.34Å; F185-Y210 AromaticContact CE1-CE1 3.43Å; F185-Y210 HydrophobicContact CE1-CE1 3.43Å; F185-Y210 VanDerWaalsContact CE1-CE1 3.43Å; F185-Y210 AromaticContact CE1-CZ 3.98Å; F185-Y210 HydrophobicContact CG-CE1 4.38Å; F185-Y210 HydrophobicContact CZ-CE1 4.07Å; Y210-H212 PolarHBondContact O-N 2.83Å; Y210-P216 CarbonylContact C-O 3.6Å; Y210-P216 WeakPolarHBondContact CA-O 3.37Å; Y210-P216 WeakPolarHBondContact CB-O 3.16Å; Y210-K217 WeakPolarHBondContact CD2-O 3.31Å; Y210-I219 HydrophobicContact CD1-CD1 4.14Å; Y210-I219 HydrophobicContact CD1-CG1 4.28Å; Y210-I219 HydrophobicContact CG-CG1 4.41Å
211	G	87.6	Confident	92.7	Very high	45 Å²	45	52.4 Å²	52.4	46%	0.464	28%	0.277	S	S	.	.	S	Bend	trans	65.5	20.1	170.9	0	0	0	0	0	115.5	P216	G211-P216 PolarHBondContact N-O 3.05Å
212	H	89.6	Confident	92.6	Very high	52 Å²	52	51.2 Å²	51.2	24%	0.241	26%	0.264	C	S	.	.	S	Bend	trans	-131.7	135.6	178.9	-174.7	75.1	0	0	0	110.3	A208 Y210 D214 L215	A208-H212 HydrophobicContact CB-CB 3.45Å; A208-H212 VanDerWaalsContact CB-CB 3.45Å; Y210-H212 PolarHBondContact O-N 2.83Å; H212-D214 PolarHBondContact O-N 2.83Å; H212-L215 WeakPolarHBondContact O-CB 3.19Å; H212-L215 WeakPolarHBondContact O-CG 3.11Å; H212-L215 PolarHBondContact O-N 2.87Å
213	D	90.5	Very high	92.6	Very high	84 Å²	84	53.9 Å²	53.9	45%	0.449	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	-124.7	-172.6	-71.5	-49.9	0	0	0	112.2	K159 L215	K159-D213 VanDerWaalsContact CE-CG 3.4Å; K159-D213 WeakPolarHBondContact CE-OD1 3.31Å; K159-D213 WeakPolarHBondContact CE-OD2 3.39Å; K159-D213 IonicContact NZ-OD1 2.77Å; K159-D213 PolarHBondContact NZ-OD1 3.04Å; K159-D213 IonicContact NZ-OD2 3.28Å; K159-D213 PolarHBondContact NZ-OD2 2.64Å; D213-L215 VanDerWaalsContact C-N 3.34Å
214	D	91.1	Very high	92.6	Very high	106 Å²	106	53.9 Å²	53.9	57%	0.567	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	4.5	178.7	58.3	-36.5	0	0	0	113	R164 H212	R164-D214 WeakPolarHBondContact CD-OD1 3.44Å; R164-D214 IonicContact CZ-OD1 3.47Å; R164-D214 IonicContact CZ-OD2 3.58Å; R164-D214 IonicContact NE-OD1 2.67Å; R164-D214 PolarHBondContact NE-OD1 3.29Å; R164-D214 IonicContact NE-OD2 3.56Å; R164-D214 IonicContact NH2-OD1 3.44Å; R164-D214 PolarHBondContact NH2-OD1 2.94Å; R164-D214 IonicContact NH2-OD2 2.75Å; R164-D214 PolarHBondContact NH2-OD2 3.25Å; H212-D214 PolarHBondContact O-N 2.83Å
215	L	90.9	Very high	92.5	Very high	33 Å²	33	56.4 Å²	56.4	17%	0.173	29%	0.29	C	S	.	.	S	Bend	trans	-68.7	146.8	173.8	-64.9	175.3	0	0	0	111.4	R164 A208 H212 D213 K217	R164-L215 HydrophobicContact CB-CD1 3.9Å; R164-L215 HydrophobicContact CB-CG 4.22Å; R164-L215 HydrophobicContact CG-CD1 4.09Å; R164-L215 HydrophobicContact CG-CD2 4.11Å; R164-L215 HydrophobicContact CG-CG 3.84Å; A208-L215 HydrophobicContact CB-CD1 3.93Å; H212-L215 WeakPolarHBondContact O-CB 3.19Å; H212-L215 WeakPolarHBondContact O-CG 3.11Å; H212-L215 PolarHBondContact O-N 2.87Å; D213-L215 VanDerWaalsContact C-N 3.34Å; L215-K217 PolarHBondContact O-N 3.34Å
216	P	89.1	Confident	92.4	Very high	78 Å²	78	57.6 Å²	57.6	51%	0.506	29%	0.294	S	S	.	.			trans	-53.2	140.2	174.4	-25.5	34	0	0	0	111.9	Y210 G211 N218	Y210-P216 CarbonylContact C-O 3.6Å; Y210-P216 WeakPolarHBondContact CA-O 3.37Å; Y210-P216 WeakPolarHBondContact CB-O 3.16Å; G211-P216 PolarHBondContact N-O 3.05Å; P216-N218 WeakPolarHBondContact CB-O 3.33Å; P216-N218 PolarHBondContact O-N 2.96Å
217	K	86.8	Confident	92.4	Very high	173 Å²	173	57.6 Å²	57.6	75%	0.752	29%	0.294	S	S	*	.	S	Bend	trans	-65.7	-27.6	176.7	-68.8	-175.9	179.5	178.7	0	113.3	Y210 L215	Y210-K217 WeakPolarHBondContact CD2-O 3.31Å; L215-K217 PolarHBondContact O-N 3.34Å
218	N	85.7	Confident	92.5	Very high	140 Å²	140	59 Å²	59	75%	0.749	30%	0.301	S	S	*	.	S	Bend	trans	-135.4	146.3	179.4	-61.2	-59.7	0	0	0	108.8	P216	P216-N218 WeakPolarHBondContact CB-O 3.33Å; P216-N218 PolarHBondContact O-N 2.96Å
219	I	89.9	Confident	92.7	Very high	35 Å²	35	61.1 Å²	61.1	18%	0.179	31%	0.311	C	S	.	.			trans	-121.9	153.5	175.2	54.6	164	0	0	0	109.6	F185 L209 Y210 V222 F282	F185-I219 HydrophobicContact CZ-CD1 4.39Å; L209-I219 HydrophobicContact CD2-CD1 3.84Å; L209-I219 HydrophobicContact CG-CD1 4.02Å; Y210-I219 HydrophobicContact CD1-CD1 4.14Å; Y210-I219 HydrophobicContact CD1-CG1 4.28Å; Y210-I219 HydrophobicContact CG-CG1 4.41Å; I219-V222 HydrophobicContact CD1-CG2 3.8Å; I219-F282 HydrophobicContact CD1-CD2 4.49Å; I219-F282 HydrophobicContact CG1-CE1 4.33Å; I219-F282 HydrophobicContact CG1-CZ 4.35Å; I219-F282 WeakPolarHBondContact O-CE1 3.47Å
220	K	92.7	Very high	93	Very high	183 Å²	183	60.1 Å²	60.1	80%	0.796	31%	0.306	S	S	*	.	S	Bend	trans	-111.3	-16.2	175.8	-64.9	-176	-179.3	179.5	0	112.8	P283	K220-P283 WeakPolarHBondContact O-CD 3.31Å
221	E	94.8	Very high	93.4	Very high	76 Å²	76	58.3 Å²	58.3	36%	0.355	30%	0.299	S	S	.	.			trans	-153.8	161.1	-175.3	58.5	-173.2	-155.7	0	0	108.6	H223 P283 Y285	E221-H223 IonicContact OE1-CD2 3.88Å; E221-H223 IonicContact OE1-CE1 3.48Å; E221-H223 PolarHBondContact OE1-CE1 2.8Å; E221-H223 IonicContact OE1-NE2 2.75Å; E221-H223 PolarHBondContact OE1-NE2 2.87Å; E221-P283 HydrophobicContact CB-CG 4.06Å; E221-Y285 HydrophobicContact CB-CD2 3.94Å; E221-Y285 HydrophobicContact CB-CE2 3.87Å; E221-Y285 WeakPolarHBondContact OE2-CE2 3.23Å
222	V	95.5	Very high	93.8	Very high	2 Å²	2	61.2 Å²	61.2	1%	0.012	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	141.4	175.7	179.7	0	0	0	0	108.7	L209 I219 F227 L256 F282 P283 L284 Y285	L209-V222 HydrophobicContact CD1-CG1 4.26Å; L209-V222 HydrophobicContact CD2-CG2 4.07Å; I219-V222 HydrophobicContact CD1-CG2 3.8Å; V222-F227 HydrophobicContact CG1-CE2 3.8Å; V222-F227 HydrophobicContact CG1-CZ 4.35Å; V222-L256 HydrophobicContact CB-CD2 4.45Å; V222-L256 HydrophobicContact CG1-CD2 3.82Å; V222-F282 HydrophobicContact CG2-CB 4.08Å; V222-P283 PolarHBondContact N-O 3.32Å; V222-L284 HydrophobicContact CB-CD1 3.89Å; V222-L284 HydrophobicContact CG1-CD1 3.8Å; V222-L284 WeakPolarHBondContact O-CA 3.43Å; V222-Y285 PolarHBondContact O-N 2.9Å
223	H	96.9	Very high	94.2	Very high	58 Å²	58	59.7 Å²	59.7	27%	0.269	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.6	179.9	-70.1	-92.7	0	0	0	110.6	E221 D225 Y226 Y285	E221-H223 IonicContact OE1-CD2 3.88Å; E221-H223 IonicContact OE1-CE1 3.48Å; E221-H223 PolarHBondContact OE1-CE1 2.8Å; E221-H223 IonicContact OE1-NE2 2.75Å; E221-H223 PolarHBondContact OE1-NE2 2.87Å; H223-D225 PolarHBondContact O-N 3.02Å; H223-Y226 WeakPolarHBondContact O-CB 3.14Å; H223-Y226 PolarHBondContact O-N 2.97Å; H223-Y285 CarbonylContact C-O 3.55Å; H223-Y285 WeakPolarHBondContact CA-O 3.34Å; H223-Y285 AromaticContact CE1-CG 3.97Å; H223-Y285 WeakPolarHBondContact ND1-CB 3.31Å
224	L	97.4	Very high	94.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-66.2	-23.5	176.5	-77.5	-170.8	0	0	0	113.2	Y226 F227 E228 V260 Y263 L264 L284 Y285 Y286 I291	L224-Y226 PolarHBondContact O-N 3.09Å; L224-F227 HydrophobicContact CD2-CD2 3.98Å; L224-F227 PolarHBondContact O-N 3.13Å; L224-E228 PolarHBondContact O-N 2.76Å; L224-V260 HydrophobicContact CD2-CG2 4.02Å; L224-Y263 HydrophobicContact CD1-CD2 4Å; L224-Y263 HydrophobicContact CD1-CG 4Å; L224-L264 HydrophobicContact CB-CD2 4.38Å; L224-L284 HydrophobicContact CD1-CD2 4.21Å; L224-L284 HydrophobicContact CD2-CD1 4Å; L224-L284 HydrophobicContact CD2-CD2 4.07Å; L224-L284 HydrophobicContact CD2-CG 4.42Å; L224-L284 HydrophobicContact CG-CD1 4.04Å; L224-L284 HydrophobicContact CG-CD2 3.98Å; L224-L284 HydrophobicContact CG-CG 4.1Å; L224-Y285 PolarHBondContact N-O 3.1Å; L224-Y286 HydrophobicContact CB-CD2 3.8Å; L224-Y286 HydrophobicContact CB-CG 4.11Å; L224-Y286 HydrophobicContact CD1-CG 4.48Å; L224-I291 HydrophobicContact CD1-CD1 3.41Å; L224-I291 VanDerWaalsContact CD1-CD1 3.41Å; L224-I291 HydrophobicContact CG-CD1 4.1Å
225	D	97.7	Very high	94.6	Very high	53 Å²	53	55.1 Å²	55.1	28%	0.283	26%	0.263	S	S	.	.	H	α-helix	trans	-53.5	-35.5	175.9	-57.3	-97	0	0	0	111.6	H223 E228 E229 K287	H223-D225 PolarHBondContact O-N 3.02Å; D225-E228 PolarHBondContact O-N 2.56Å; D225-E229 PolarHBondContact O-N 3.25Å; D225-K287 PolarHBondContact OD2-N 3.25Å
226	Y	96.6	Very high	94.8	Very high	25 Å²	25	59.7 Å²	59.7	10%	0.098	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-47.3	174.4	177.7	-112.5	0	0	0	112.9	N162 V207 A208 L209 H223 L224 E229 C230	N162-Y226 HydrophobicContact CB-CD2 4.05Å; N162-Y226 HydrophobicContact CB-CE2 4.39Å; N162-Y226 WeakPolarHBondContact O-CE2 3.47Å; V207-Y226 HydrophobicContact CB-CE1 4.38Å; V207-Y226 HydrophobicContact CG2-CE1 4.12Å; A208-Y226 PolarHBondContact O-OH 2.78Å; L209-Y226 HydrophobicContact CD1-CD1 4.3Å; L209-Y226 HydrophobicContact CD1-CE1 4.48Å; H223-Y226 WeakPolarHBondContact O-CB 3.14Å; H223-Y226 PolarHBondContact O-N 2.97Å; L224-Y226 PolarHBondContact O-N 3.09Å; Y226-E229 WeakPolarHBondContact O-CB 3.34Å; Y226-E229 PolarHBondContact O-N 2.92Å; Y226-C230 PolarHBondContact O-N 3.02Å; Y226-C230 VanDerWaalsContact O-N 3.1Å; Y226-C230 PolarHBondContact O-SG 3.03Å
227	F	97.6	Very high	95.1	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-74.3	-30.8	-179.8	-56.4	-72.6	0	0	0	111.5	L180 L182 L209 V222 L224 E229 C230 I231 L256 V260 L264	L180-F227 HydrophobicContact CD2-CD1 4.48Å; L182-F227 HydrophobicContact CD1-CD1 4.48Å; L182-F227 HydrophobicContact CD1-CE1 4.35Å; L182-F227 HydrophobicContact CD2-CD1 3.91Å; L182-F227 HydrophobicContact CD2-CE1 3.74Å; L209-F227 HydrophobicContact CD1-CZ 4.09Å; V222-F227 HydrophobicContact CG1-CE2 3.8Å; V222-F227 HydrophobicContact CG1-CZ 4.35Å; L224-F227 HydrophobicContact CD2-CD2 3.98Å; L224-F227 PolarHBondContact O-N 3.13Å; F227-E229 VanDerWaalsContact C-N 3.32Å; F227-C230 WeakPolarHBondContact O-CB 3.44Å; F227-C230 PolarHBondContact O-N 2.65Å; F227-I231 VanDerWaalsContact O-CG1 3.3Å; F227-I231 WeakPolarHBondContact O-CG1 3.33Å; F227-I231 PolarHBondContact O-N 3.13Å; F227-L256 HydrophobicContact CE2-CD1 4.36Å; F227-L256 HydrophobicContact CE2-CD2 4.39Å; F227-L256 HydrophobicContact CZ-CB 4.5Å; F227-L256 HydrophobicContact CZ-CD1 3.85Å; F227-V260 HydrophobicContact CB-CG2 3.52Å; F227-V260 HydrophobicContact CD1-CG2 4.44Å; F227-V260 HydrophobicContact CD2-CG2 4.02Å; F227-V260 HydrophobicContact CG-CG2 3.74Å; F227-L264 HydrophobicContact CB-CD1 4.15Å
228	E	97.9	Very high	95.3	Very high	30 Å²	30	57.6 Å²	57.6	14%	0.14	28%	0.278	C	S	.	.	H	α-helix	trans	-62.2	-41.7	171.8	-159.5	-167.3	-147.8	0	0	111.1	L224 D225 I231 K232 L264 Y286	L224-E228 PolarHBondContact O-N 2.76Å; D225-E228 PolarHBondContact O-N 2.56Å; E228-I231 PolarHBondContact O-N 2.92Å; E228-K232 HydrophobicContact CG-CD 4.5Å; E228-K232 VanDerWaalsContact O-CG 3.31Å; E228-K232 WeakPolarHBondContact O-CG 3.41Å; E228-K232 PolarHBondContact O-N 3.03Å; E228-K232 IonicContact OE1-NZ 3.62Å; E228-K232 IonicContact OE2-NZ 2.72Å; E228-K232 PolarHBondContact OE2-NZ 3.4Å; E228-L264 HydrophobicContact CB-CD1 3.87Å; E228-L264 HydrophobicContact CB-CD2 4.04Å; E228-L264 HydrophobicContact CG-CD1 4.42Å; E228-L264 HydrophobicContact CG-CD2 4.11Å; E228-Y286 PolarHBondContact OE1-OH 3.45Å
229	E	97.8	Very high	95.6	Very high	46 Å²	46	54.2 Å²	54.2	22%	0.215	26%	0.257	C	S	.	.	H	α-helix	trans	-60.6	-44.5	173.3	-163.8	-177.7	156.4	0	0	111.4	G161 N162 I163 D225 Y226 F227 I231 K232 F233	G161-E229 VanDerWaalsContact CA-OE1 3.27Å; G161-E229 WeakPolarHBondContact CA-OE1 3.21Å; N162-E229 WeakPolarHBondContact CB-OE2 3.33Å; N162-E229 PolarHBondContact N-OE1 3.38Å; N162-E229 PolarHBondContact ND2-OE2 3.17Å; I163-E229 HydrophobicContact CD1-CG 4.09Å; I163-E229 HydrophobicContact CG1-CG 4.09Å; D225-E229 PolarHBondContact O-N 3.25Å; Y226-E229 WeakPolarHBondContact O-CB 3.34Å; Y226-E229 PolarHBondContact O-N 2.92Å; F227-E229 VanDerWaalsContact C-N 3.32Å; E229-I231 PolarHBondContact O-N 3.11Å; E229-K232 PolarHBondContact O-N 3.42Å; E229-F233 WeakPolarHBondContact O-CB 3.48Å; E229-F233 PolarHBondContact O-N 2.83Å
230	C	97.8	Very high	95.7	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-61	-43.7	176.4	-64.1	0	0	0	0	112.7	L180 L205 Y226 F227 F233 L234	L180-C230 HydrophobicContact CD1-CB 3.98Å; L180-C230 HydrophobicContact CD2-CB 4.15Å; L205-C230 HydrophobicContact CD2-CB 4.14Å; Y226-C230 PolarHBondContact O-N 3.02Å; Y226-C230 VanDerWaalsContact O-N 3.1Å; Y226-C230 PolarHBondContact O-SG 3.03Å; F227-C230 WeakPolarHBondContact O-CB 3.44Å; F227-C230 PolarHBondContact O-N 2.65Å; C230-F233 PolarHBondContact O-N 3.47Å; C230-L234 PolarHBondContact O-N 2.72Å
231	I	97.6	Very high	95.4	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.031	21%	0.214	C	C	.	.	H	α-helix	trans	-63.3	-44.9	177.1	-68.8	164.2	0	0	0	110.3	L180 F227 E228 E229 L234 K235 V245 V260 L264 V267	L180-I231 HydrophobicContact CD2-CG1 4.45Å; F227-I231 VanDerWaalsContact O-CG1 3.3Å; F227-I231 WeakPolarHBondContact O-CG1 3.33Å; F227-I231 PolarHBondContact O-N 3.13Å; E228-I231 PolarHBondContact O-N 2.92Å; E229-I231 PolarHBondContact O-N 3.11Å; I231-L234 PolarHBondContact O-N 3.42Å; I231-K235 HydrophobicContact CG2-CD 4.01Å; I231-K235 HydrophobicContact CG2-CG 4.44Å; I231-K235 WeakPolarHBondContact O-CB 3.34Å; I231-K235 WeakPolarHBondContact O-CG 3.48Å; I231-K235 PolarHBondContact O-N 3.29Å; I231-V245 HydrophobicContact CG1-CG2 3.93Å; I231-V245 HydrophobicContact CG2-CG1 4.43Å; I231-V245 HydrophobicContact CG2-CG2 4.19Å; I231-V260 HydrophobicContact CD1-CG1 3.73Å; I231-L264 HydrophobicContact CD1-CB 4.35Å; I231-L264 HydrophobicContact CD1-CD1 4.06Å; I231-V267 HydrophobicContact CD1-CG2 3.88Å
232	K	96.8	Very high	94.1	Very high	106 Å²	106	43.7 Å²	43.7	46%	0.461	22%	0.218	S	C	.	.	H	α-helix	trans	-61	-44.6	176.5	-73	167.4	-177.4	163.3	0	111.2	E228 E229 K235 N236	E228-K232 HydrophobicContact CG-CD 4.5Å; E228-K232 VanDerWaalsContact O-CG 3.31Å; E228-K232 WeakPolarHBondContact O-CG 3.41Å; E228-K232 PolarHBondContact O-N 3.03Å; E228-K232 IonicContact OE1-NZ 3.62Å; E228-K232 IonicContact OE2-NZ 2.72Å; E228-K232 PolarHBondContact OE2-NZ 3.4Å; E229-K232 PolarHBondContact O-N 3.42Å; K232-K235 PolarHBondContact O-N 3.39Å; K232-N236 WeakPolarHBondContact O-CB 3.49Å; K232-N236 PolarHBondContact O-N 2.88Å; K232-N236 VanDerWaalsContact O-N 3.13Å; K232-N236 PolarHBondContact O-ND2 3.03Å
233	F	97.3	Very high	93.3	Very high	20 Å²	20	46.6 Å²	46.6	9%	0.088	23%	0.234	C	C	.	.	H	α-helix	trans	-58.6	-48	176.3	172.3	-89.8	0	0	0	112.1	V158 Q160 I163 L167 L205 E229 C230 N236 Q237	V158-F233 HydrophobicContact CB-CZ 4.42Å; V158-F233 HydrophobicContact CG1-CD2 4.5Å; V158-F233 HydrophobicContact CG1-CE1 4.23Å; V158-F233 HydrophobicContact CG1-CE2 3.89Å; V158-F233 HydrophobicContact CG1-CZ 3.73Å; V158-F233 HydrophobicContact CG2-CE1 4.07Å; V158-F233 HydrophobicContact CG2-CZ 3.72Å; Q160-F233 VanDerWaalsContact OE1-CE2 3.24Å; I163-F233 HydrophobicContact CD1-CB 3.47Å; I163-F233 VanDerWaalsContact CD1-CB 3.47Å; I163-F233 HydrophobicContact CD1-CD1 4.48Å; I163-F233 HydrophobicContact CD1-CD2 4.23Å; I163-F233 HydrophobicContact CD1-CG 3.82Å; L167-F233 HydrophobicContact CD1-CE1 4.39Å; L167-F233 HydrophobicContact CD2-CE1 4.21Å; L167-F233 HydrophobicContact CD2-CZ 4.33Å; L205-F233 HydrophobicContact CD1-CE1 4.25Å; L205-F233 HydrophobicContact CD2-CD1 3.89Å; L205-F233 HydrophobicContact CD2-CE1 4.33Å; E229-F233 WeakPolarHBondContact O-CB 3.48Å; E229-F233 PolarHBondContact O-N 2.83Å; C230-F233 PolarHBondContact O-N 3.47Å; F233-N236 PolarHBondContact O-N 3.11Å; F233-Q237 HydrophobicContact CE1-CG 4.46Å; F233-Q237 VanDerWaalsContact CZ-NE2 3.25Å; F233-Q237 WeakPolarHBondContact O-CG 3.33Å; F233-Q237 PolarHBondContact O-N 2.75Å; F233-Q237 PolarHBondContact O-NE2 3.28Å
234	L	96.4	Very high	93.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-46	178.3	-86.1	174.2	0	0	0	112.1	L167 A178 L180 L203 L205 C230 I231 N236 Q237 A240 V245	L167-L234 HydrophobicContact CD1-CD2 3.93Å; A178-L234 HydrophobicContact CB-CD2 4.45Å; L180-L234 HydrophobicContact CB-CD1 3.93Å; L203-L234 HydrophobicContact CG-CD2 4.5Å; L205-L234 HydrophobicContact CB-CD1 4.02Å; L205-L234 HydrophobicContact CB-CD2 3.61Å; L205-L234 HydrophobicContact CB-CG 3.87Å; L205-L234 HydrophobicContact CD2-CG 4.17Å; C230-L234 PolarHBondContact O-N 2.72Å; I231-L234 PolarHBondContact O-N 3.42Å; L234-N236 PolarHBondContact O-N 2.87Å; L234-Q237 WeakPolarHBondContact O-CG 3.49Å; L234-Q237 PolarHBondContact O-N 2.75Å; L234-A240 WeakPolarHBondContact O-CB 3.48Å; L234-V245 HydrophobicContact CB-CG1 3.99Å; L234-V245 HydrophobicContact CD1-CG1 4.18Å
235	K	94.4	Very high	93.1	Very high	94 Å²	94	44 Å²	44	41%	0.409	22%	0.224	S	C	.	.	H	α-helix	trans	-64.7	-22.2	179.4	-72.8	-178.5	67.6	179.6	0	113.7	I231 K232 V245	I231-K235 HydrophobicContact CG2-CD 4.01Å; I231-K235 HydrophobicContact CG2-CG 4.44Å; I231-K235 WeakPolarHBondContact O-CB 3.34Å; I231-K235 WeakPolarHBondContact O-CG 3.48Å; I231-K235 PolarHBondContact O-N 3.29Å; K232-K235 PolarHBondContact O-N 3.39Å; K235-V245 HydrophobicContact CG-CG1 4.1Å
236	N	94.1	Very high	93.1	Very high	128 Å²	128	41.5 Å²	41.5	68%	0.684	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.5	0.3	179.3	-70.3	-12.2	0	0	0	113.3	K232 F233 L234	K232-N236 WeakPolarHBondContact O-CB 3.49Å; K232-N236 PolarHBondContact O-N 2.88Å; K232-N236 VanDerWaalsContact O-N 3.13Å; K232-N236 PolarHBondContact O-ND2 3.03Å; F233-N236 PolarHBondContact O-N 3.11Å; L234-N236 PolarHBondContact O-N 2.87Å
237	Q	94.9	Very high	93.2	Very high	52 Å²	52	40.3 Å²	40.3	24%	0.243	21%	0.205	C	C	.	.	S	Bend	trans	-74.1	135.8	174.9	-58.8	-55.6	-59.2	0	0	110.5	L167 L203 F233 L234 K239 A240	L167-Q237 HydrophobicContact CD2-CG 4.14Å; L203-Q237 HydrophobicContact CD2-CB 3.77Å; L203-Q237 HydrophobicContact CD2-CG 4.09Å; F233-Q237 HydrophobicContact CE1-CG 4.46Å; F233-Q237 VanDerWaalsContact CZ-NE2 3.25Å; F233-Q237 WeakPolarHBondContact O-CG 3.33Å; F233-Q237 PolarHBondContact O-N 2.75Å; F233-Q237 PolarHBondContact O-NE2 3.28Å; L234-Q237 WeakPolarHBondContact O-CG 3.49Å; L234-Q237 PolarHBondContact O-N 2.75Å; Q237-K239 PolarHBondContact O-N 2.81Å; Q237-A240 HydrophobicContact CB-CB 4.14Å; Q237-A240 WeakPolarHBondContact O-CB 3.41Å; Q237-A240 PolarHBondContact O-N 2.65Å
238	D	91	Very high	93.3	Very high	155 Å²	155	40.3 Å²	40.3	83%	0.829	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-29.7	-177.6	-63.8	-28.5	0	0	0	113.5
239	K	92.4	Very high	93.2	Very high	70 Å²	70	38.9 Å²	38.9	30%	0.304	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	9.9	-179.6	-58.1	-166.4	179.5	-174.6	0	113.8	T169 G172 P175 F176 Q237	T169-K239 HydrophobicContact CG2-CD 3.89Å; G172-K239 PolarHBondContact O-NZ 2.75Å; P175-K239 CarbonylContact C-O 3.52Å; P175-K239 WeakPolarHBondContact CA-O 2.88Å; F176-K239 HydrophobicContact CD2-CB 3.91Å; F176-K239 HydrophobicContact CD2-CD 4.47Å; F176-K239 HydrophobicContact CE2-CB 4.15Å; F176-K239 HydrophobicContact CE2-CD 3.89Å; F176-K239 PolarHBondContact N-O 3.08Å; Q237-K239 PolarHBondContact O-N 2.81Å
240	A	92.4	Very high	93.1	Very high	6 Å²	6	37.1 Å²	37.1	5%	0.05	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	144.3	176.8	0	0	0	0	0	112.3	A178 L203 L234 Q237	A178-A240 HydrophobicContact CB-CB 4.28Å; L203-A240 HydrophobicContact CD2-CB 3.75Å; L234-A240 WeakPolarHBondContact O-CB 3.48Å; Q237-A240 HydrophobicContact CB-CB 4.14Å; Q237-A240 WeakPolarHBondContact O-CB 3.41Å; Q237-A240 PolarHBondContact O-N 2.65Å
241	G	85.1	Confident	93	Very high	3 Å²	3	38 Å²	38	3%	0.031	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	147.9	164.9	0	0	0	0	0	112.1	F176	F176-G241 PolarHBondContact O-N 2.77Å
242	S	68.8	Low	92.8	Very high	63 Å²	63	38.4 Å²	38.4	44%	0.441	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	-18.2	-166.7	53.4	0	0	0	0	116.1
243	N	79.3	Confident	92.7	Very high	63 Å²	63	33.4 Å²	33.4	34%	0.337	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-21.9	-161	-60.3	-13.6	0	0	0	113.4	Q268 S431 D433	N243-Q268 PolarHBondContact O-NE2 3.05Å; N243-Q268 VanDerWaalsContact O-NE2 3.14Å; N243-S431 WeakPolarHBondContact ND2-CB 3.4Å; N243-D433 PolarHBondContact ND2-OD2 3.07Å
244	G	92	Very high	92.7	Very high	5 Å²	5	32.5 Å²	32.5	5%	0.052	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	154.8	-165.4	175.7	0	0	0	0	0	111.8	G266	G244-G266 CarbonylContact C-O 3.57Å; G244-G266 VanDerWaalsContact CA-O 3.25Å; G244-G266 WeakPolarHBondContact CA-O 3.41Å
245	V	97.3	Very high	92.7	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	152.8	-175.6	-51.5	0	0	0	0	112.4	A178 I231 L234 K235 V247 G266 Q268	A178-V245 HydrophobicContact CB-CG1 4.07Å; A178-V245 CarbonylContact O-C 3.58Å; A178-V245 WeakPolarHBondContact O-CA 3.46Å; I231-V245 HydrophobicContact CG1-CG2 3.93Å; I231-V245 HydrophobicContact CG2-CG1 4.43Å; I231-V245 HydrophobicContact CG2-CG2 4.19Å; L234-V245 HydrophobicContact CB-CG1 3.99Å; L234-V245 HydrophobicContact CD1-CG1 4.18Å; K235-V245 HydrophobicContact CG-CG1 4.1Å; V245-V247 HydrophobicContact CG2-CG2 4.48Å; V245-G266 PolarHBondContact N-O 2.93Å; V245-Q268 PolarHBondContact O-N 3.43Å
246	G	98.4	Very high	92.8	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	153.5	160	0	0	0	0	0	111.2	A178 V179 L180 A269	A178-G246 PolarHBondContact O-N 3.18Å; V179-G246 CarbonylContact C-O 3.59Å; V179-G246 WeakPolarHBondContact CA-O 3.24Å; L180-G246 PolarHBondContact N-O 3.3Å; G246-A269 CarbonylContact C-O 3.49Å; G246-A269 VanDerWaalsContact CA-O 3.23Å; G246-A269 WeakPolarHBondContact CA-O 3.2Å
247	V	98.7	Very high	93	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	130	170.2	-176.2	0	0	0	0	108.4	L180 L182 V245 A257 V260 V267 A269 V270 I271	L180-V247 HydrophobicContact CB-CG2 4.4Å; L180-V247 WeakPolarHBondContact O-CA 3.42Å; L182-V247 HydrophobicContact CD1-CG1 3.77Å; L182-V247 HydrophobicContact CG-CG1 4.07Å; V245-V247 HydrophobicContact CG2-CG2 4.48Å; V247-A257 HydrophobicContact CG1-CB 3.7Å; V247-V260 HydrophobicContact CG2-CG1 4.12Å; V247-V267 HydrophobicContact CG2-CG1 3.99Å; V247-V267 HydrophobicContact CG2-CG2 4.49Å; V247-A269 PolarHBondContact N-O 3.22Å; V247-V270 HydrophobicContact CB-CG2 4.42Å; V247-V270 CarbonylContact O-C 3.55Å; V247-V270 VanDerWaalsContact O-CA 3.32Å; V247-V270 WeakPolarHBondContact O-CA 3.39Å; V247-I271 PolarHBondContact O-N 3.21Å
248	I	98.6	Very high	93.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.1	171.4	-175.9	161.2	0	0	0	109.7	V179 L180 D181 L182 L197 I271 I273 I422 F426	V179-I248 HydrophobicContact CG1-CG2 3.88Å; L180-I248 PolarHBondContact O-N 2.65Å; D181-I248 HydrophobicContact CB-CG2 4.01Å; L182-I248 PolarHBondContact N-O 3.31Å; L197-I248 HydrophobicContact CD1-CG2 4.44Å; I248-I271 HydrophobicContact CB-CB 4.34Å; I248-I271 HydrophobicContact CD1-CB 4.37Å; I248-I271 HydrophobicContact CD1-CD1 4.41Å; I248-I271 HydrophobicContact CD1-CG2 4.27Å; I248-I271 HydrophobicContact CG1-CB 4.07Å; I248-I271 HydrophobicContact CG1-CG2 4.23Å; I248-I273 HydrophobicContact CD1-CD1 4.21Å; I248-I273 HydrophobicContact CG1-CD1 4.27Å; I248-I422 HydrophobicContact CD1-CD1 3.86Å; I248-I422 HydrophobicContact CD1-CG1 4.2Å; I248-I422 HydrophobicContact CD1-CG2 3.89Å; I248-F426 HydrophobicContact CB-CE2 4.04Å; I248-F426 HydrophobicContact CB-CZ 3.88Å; I248-F426 HydrophobicContact CD1-CE2 4.34Å; I248-F426 HydrophobicContact CG2-CE2 4.47Å
249	S	97	Very high	93.5	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	157.6	-175	58.8	0	0	0	0	111.8	S253 G254 A257 I271 I273	S249-S253 WeakPolarHBondContact CB-O 3.25Å; S249-S253 WeakPolarHBondContact CB-OG 3.45Å; S249-G254 WeakPolarHBondContact OG-CA 3.4Å; S249-A257 WeakPolarHBondContact OG-CB 3.47Å; S249-I271 PolarHBondContact N-O 2.92Å; S249-I271 PolarHBondContact OG-O 3.46Å; S249-I271 VanDerWaalsContact OG-O 3.1Å; S249-I273 VanDerWaalsContact O-CB 3.31Å; S249-I273 WeakPolarHBondContact O-CB 3.22Å; S249-I273 WeakPolarHBondContact O-CG1 2.92Å; S249-I273 PolarHBondContact O-N 3.32Å
250	L	95.8	Very high	93.8	Very high	9 Å²	9	8.7 Å²	8.7	5%	0.047	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	140.9	172.8	177.8	65.2	0	0	0	110.2	Y183 K252 S253 I273 N274 Y381 E383	Y183-L250 HydrophobicContact CE2-CD2 3.74Å; L250-K252 PolarHBondContact O-N 3.23Å; L250-S253 PolarHBondContact N-OG 3.21Å; L250-S253 PolarHBondContact O-N 3.18Å; L250-S253 PolarHBondContact O-OG 3.34Å; L250-I273 CarbonylContact C-O 3.47Å; L250-I273 VanDerWaalsContact CA-O 3.31Å; L250-I273 WeakPolarHBondContact CA-O 3.21Å; L250-I273 HydrophobicContact CD1-CB 3.85Å; L250-I273 HydrophobicContact CD1-CG2 3.55Å; L250-N274 HydrophobicContact CD1-CB 4.36Å; L250-Y381 HydrophobicContact CD2-CD1 3.9Å; L250-E383 WeakPolarHBondContact CD2-OE1 3.19Å
251	S	95.1	Very high	94.1	Very high	19 Å²	19	8.8 Å²	8.8	13%	0.133	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-135	172.4	-173.4	0	0	0	0	111.6	S253 G254 I273 N274 G275 H380	S251-S253 PolarHBondContact O-N 3.43Å; S251-G254 PolarHBondContact O-N 3.13Å; S251-I273 PolarHBondContact N-O 3.36Å; S251-N274 WeakPolarHBondContact CA-O 3.24Å; S251-G275 VanDerWaalsContact O-CA 3.31Å; S251-G275 WeakPolarHBondContact O-CA 3.34Å; S251-H380 WeakPolarHBondContact CB-NE2 3.44Å; S251-H380 PolarHBondContact OG-CE1 3.26Å; S251-H380 PolarHBondContact OG-NE2 2.94Å
252	K	92.9	Very high	94.7	Very high	14 Å²	14	9.2 Å²	9.2	6%	0.061	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.5	-30.8	177.3	174.3	61	-172	118	0	114.4	F185 L250 G254 D255 V280 W349	F185-K252 HydrophobicContact CB-CB 4.22Å; F185-K252 HydrophobicContact CB-CG 4.46Å; F185-K252 HydrophobicContact CD1-CG 4.48Å; F185-K252 HydrophobicContact CD2-CB 3.72Å; F185-K252 HydrophobicContact CD2-CG 3.18Å; F185-K252 HydrophobicContact CE2-CB 4.4Å; F185-K252 HydrophobicContact CE2-CD 4.4Å; F185-K252 HydrophobicContact CE2-CG 3.39Å; F185-K252 HydrophobicContact CG-CB 4.1Å; F185-K252 HydrophobicContact CG-CG 3.79Å; F185-K252 HydrophobicContact CZ-CG 4.15Å; L250-K252 PolarHBondContact O-N 3.23Å; K252-G254 PolarHBondContact O-N 3.3Å; K252-D255 IonicContact NZ-OD1 2.75Å; K252-D255 PolarHBondContact NZ-OD1 2.7Å; K252-D255 IonicContact NZ-OD2 3.51Å; K252-D255 PolarHBondContact NZ-OD2 3.39Å; K252-D255 VanDerWaalsContact O-CG 3.28Å; K252-V280 HydrophobicContact CD-CB 3.84Å; K252-V280 HydrophobicContact CD-CG1 4.27Å; K252-V280 WeakPolarHBondContact CE-O 3.18Å; K252-V280 PolarHBondContact NZ-O 2.95Å; K252-W349 HydrophobicContact CB-CH2 4.4Å
253	S	94.9	Very high	96.1	Very high	1 Å²	1	8.7 Å²	8.7	1%	0.007	5%	0.047	C	C	.	.	H	α-helix	trans	-71	-10.9	176.7	65.2	0	0	0	0	114	L182 T184 S249 L250 S251 L256 A257	L182-S253 PolarHBondContact O-OG 3.04Å; T184-S253 WeakPolarHBondContact OG1-CB 3.39Å; S249-S253 WeakPolarHBondContact CB-O 3.25Å; S249-S253 WeakPolarHBondContact CB-OG 3.45Å; L250-S253 PolarHBondContact N-OG 3.21Å; L250-S253 PolarHBondContact O-N 3.18Å; L250-S253 PolarHBondContact O-OG 3.34Å; S251-S253 PolarHBondContact O-N 3.43Å; S253-L256 WeakPolarHBondContact O-CB 3.28Å; S253-L256 PolarHBondContact O-N 2.92Å; S253-A257 PolarHBondContact O-N 2.9Å
254	G	96.7	Very high	97	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.034	C	C	.	.	H	α-helix	trans	-62	-42.4	176.7	0	0	0	0	0	112.6	S249 S251 K252 L256 A257 L258	S249-G254 WeakPolarHBondContact OG-CA 3.4Å; S251-G254 PolarHBondContact O-N 3.13Å; K252-G254 PolarHBondContact O-N 3.3Å; G254-L256 VanDerWaalsContact C-N 3.32Å; G254-L256 PolarHBondContact O-N 2.74Å; G254-A257 PolarHBondContact O-N 2.8Å; G254-L258 VanDerWaalsContact O-CG 3.27Å; G254-L258 WeakPolarHBondContact O-CG 3.22Å; G254-L258 PolarHBondContact O-N 3.07Å
255	D	96.3	Very high	97.1	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-65.2	-37.6	176.6	62.4	22.4	0	0	0	112	K252 L258 S259 A278 N279 V280 V329	K252-D255 IonicContact NZ-OD1 2.75Å; K252-D255 PolarHBondContact NZ-OD1 2.7Å; K252-D255 IonicContact NZ-OD2 3.51Å; K252-D255 PolarHBondContact NZ-OD2 3.39Å; K252-D255 VanDerWaalsContact O-CG 3.28Å; D255-L258 WeakPolarHBondContact O-CB 3.49Å; D255-L258 PolarHBondContact O-N 3.1Å; D255-S259 WeakPolarHBondContact O-CB 3.41Å; D255-S259 PolarHBondContact O-N 3.46Å; D255-S259 PolarHBondContact O-OG 3.28Å; D255-S259 VanDerWaalsContact O-OG 3.05Å; D255-A278 WeakPolarHBondContact CB-O 3.46Å; D255-N279 WeakPolarHBondContact OD2-CA 3.44Å; D255-V280 PolarHBondContact OD2-N 3.43Å; D255-V329 HydrophobicContact CB-CG2 4.45Å
256	L	97.4	Very high	97	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-63.6	-43.9	174.3	-59.4	178.2	0	0	0	111.2	L182 L209 V222 F227 S253 G254 L258 S259 V260 L284	L182-L256 HydrophobicContact CD1-CB 4.42Å; L209-L256 HydrophobicContact CD2-CD1 4.21Å; V222-L256 HydrophobicContact CB-CD2 4.45Å; V222-L256 HydrophobicContact CG1-CD2 3.82Å; F227-L256 HydrophobicContact CE2-CD1 4.36Å; F227-L256 HydrophobicContact CE2-CD2 4.39Å; F227-L256 HydrophobicContact CZ-CB 4.5Å; F227-L256 HydrophobicContact CZ-CD1 3.85Å; S253-L256 WeakPolarHBondContact O-CB 3.28Å; S253-L256 PolarHBondContact O-N 2.92Å; G254-L256 VanDerWaalsContact C-N 3.32Å; G254-L256 PolarHBondContact O-N 2.74Å; L256-L258 VanDerWaalsContact C-N 3.33Å; L256-L258 PolarHBondContact O-N 3.34Å; L256-S259 PolarHBondContact O-N 2.74Å; L256-V260 WeakPolarHBondContact O-CB 3.31Å; L256-V260 WeakPolarHBondContact O-CG2 3.43Å; L256-V260 PolarHBondContact O-N 2.87Å; L256-L284 HydrophobicContact CD2-CD1 3.97Å
257	A	98	Very high	96.9	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-62.6	-40.9	176.8	0	0	0	0	0	112	L182 V247 S249 S253 G254 V260 A261 V270	L182-A257 HydrophobicContact CD1-CB 4.26Å; V247-A257 HydrophobicContact CG1-CB 3.7Å; S249-A257 WeakPolarHBondContact OG-CB 3.47Å; S253-A257 PolarHBondContact O-N 2.9Å; G254-A257 PolarHBondContact O-N 2.8Å; A257-V260 PolarHBondContact O-N 2.88Å; A257-A261 PolarHBondContact O-N 3.2Å; A257-V270 HydrophobicContact CB-CG1 3.99Å
258	L	98.6	Very high	96.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-63	-44.5	173.6	-66.6	175.9	0	0	0	111.6	G254 D255 L256 A261 S262 V329 I331 F338 F340 M358	G254-L258 VanDerWaalsContact O-CG 3.27Å; G254-L258 WeakPolarHBondContact O-CG 3.22Å; G254-L258 PolarHBondContact O-N 3.07Å; D255-L258 WeakPolarHBondContact O-CB 3.49Å; D255-L258 PolarHBondContact O-N 3.1Å; L256-L258 VanDerWaalsContact C-N 3.33Å; L256-L258 PolarHBondContact O-N 3.34Å; L258-A261 PolarHBondContact O-N 2.83Å; L258-S262 WeakPolarHBondContact O-CB 3.12Å; L258-S262 PolarHBondContact O-N 3.32Å; L258-S262 PolarHBondContact O-OG 3.36Å; L258-V329 HydrophobicContact CB-CB 4.18Å; L258-V329 HydrophobicContact CB-CG1 3.69Å; L258-V329 HydrophobicContact CB-CG2 4.35Å; L258-I331 HydrophobicContact CB-CG2 3.98Å; L258-I331 HydrophobicContact CD1-CG2 4.09Å; L258-I331 HydrophobicContact CD2-CG2 3.75Å; L258-I331 HydrophobicContact CG-CG2 4.14Å; L258-F338 HydrophobicContact CD2-CD1 4.21Å; L258-F338 HydrophobicContact CD2-CE1 3.82Å; L258-F340 HydrophobicContact CD2-CE1 4.01Å; L258-M358 HydrophobicContact CD1-SD 3.43Å; L258-M358 WeakPolarHBondContact CD1-SD 3.49Å; L258-M358 HydrophobicContact CD2-SD 4.28Å; L258-M358 HydrophobicContact CG-SD 4.48Å
259	S	98.4	Very high	96.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-65.5	-43.3	178	-63.6	0	0	0	0	111.4	D255 L256 A261 S262 Y263 L284	D255-S259 WeakPolarHBondContact O-CB 3.41Å; D255-S259 PolarHBondContact O-N 3.46Å; D255-S259 PolarHBondContact O-OG 3.28Å; D255-S259 VanDerWaalsContact O-OG 3.05Å; L256-S259 PolarHBondContact O-N 2.74Å; S259-A261 VanDerWaalsContact C-N 3.3Å; S259-A261 PolarHBondContact O-N 2.87Å; S259-S262 PolarHBondContact O-N 2.87Å; S259-S262 VanDerWaalsContact O-N 3.08Å; S259-Y263 WeakPolarHBondContact O-CB 3.39Å; S259-Y263 VanDerWaalsContact O-CD2 3.3Å; S259-Y263 WeakPolarHBondContact O-CD2 3.49Å; S259-Y263 PolarHBondContact O-N 3.44Å; S259-L284 VanDerWaalsContact CB-CD2 3.49Å; S259-L284 VanDerWaalsContact OG-CD2 3.3Å; S259-L284 WeakPolarHBondContact OG-CD2 3.34Å
260	V	98.3	Very high	96.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-54.4	-48	174.2	162.3	0	0	0	0	110.4	L224 F227 I231 V247 L256 A257 S262 L264 V267	L224-V260 HydrophobicContact CD2-CG2 4.02Å; F227-V260 HydrophobicContact CB-CG2 3.52Å; F227-V260 HydrophobicContact CD1-CG2 4.44Å; F227-V260 HydrophobicContact CD2-CG2 4.02Å; F227-V260 HydrophobicContact CG-CG2 3.74Å; I231-V260 HydrophobicContact CD1-CG1 3.73Å; V247-V260 HydrophobicContact CG2-CG1 4.12Å; L256-V260 WeakPolarHBondContact O-CB 3.31Å; L256-V260 WeakPolarHBondContact O-CG2 3.43Å; L256-V260 PolarHBondContact O-N 2.87Å; A257-V260 PolarHBondContact O-N 2.88Å; V260-S262 VanDerWaalsContact C-N 3.33Å; V260-S262 PolarHBondContact O-N 2.89Å; V260-L264 HydrophobicContact CB-CD1 4.46Å; V260-L264 HydrophobicContact CG1-CD1 4.28Å; V260-L264 HydrophobicContact CG2-CD1 4.17Å; V260-L264 VanDerWaalsContact O-CB 3.25Å; V260-L264 WeakPolarHBondContact O-CB 3.42Å; V260-L264 PolarHBondContact O-N 3.27Å; V260-V267 HydrophobicContact CG1-CG2 3.66Å
261	A	98.3	Very high	97	Very high	7 Å²	7	13.8 Å²	13.8	6%	0.058	8%	0.082	C	C	.	.	H	α-helix	trans	-70.2	-25.4	178	0	0	0	0	0	114.8	A257 L258 S259 V267 V270 A334 F338	A257-A261 PolarHBondContact O-N 3.2Å; L258-A261 PolarHBondContact O-N 2.83Å; S259-A261 VanDerWaalsContact C-N 3.3Å; S259-A261 PolarHBondContact O-N 2.87Å; A261-V267 HydrophobicContact CB-CB 4.38Å; A261-V267 HydrophobicContact CB-CG1 3.9Å; A261-V270 HydrophobicContact CB-CG2 3.59Å; A261-A334 HydrophobicContact CB-CB 4.12Å; A261-A334 WeakPolarHBondContact O-CA 3.31Å; A261-A334 VanDerWaalsContact O-CB 3.3Å; A261-A334 WeakPolarHBondContact O-CB 3.4Å; A261-F338 HydrophobicContact CB-CE1 4.24Å; A261-F338 HydrophobicContact CB-CZ 4.22Å
262	S	98.1	Very high	97.2	Very high	13 Å²	13	12.9 Å²	12.9	9%	0.091	8%	0.076	C	C	.	.	H	α-helix	trans	-89.2	-26.8	-175.7	-55.4	0	0	0	0	113.5	L258 S259 V260 P330	L258-S262 WeakPolarHBondContact O-CB 3.12Å; L258-S262 PolarHBondContact O-N 3.32Å; L258-S262 PolarHBondContact O-OG 3.36Å; S259-S262 PolarHBondContact O-N 2.87Å; S259-S262 VanDerWaalsContact O-N 3.08Å; V260-S262 VanDerWaalsContact C-N 3.33Å; V260-S262 PolarHBondContact O-N 2.89Å; S262-P330 PolarHBondContact OG-O 2.81Å
263	Y	98.1	Very high	97.5	Very high	52 Å²	52	12.3 Å²	12.3	20%	0.204	7%	0.074	C	C	.	.	H	α-helix	trans	-117.5	-21.6	-173.1	-68	-83.5	0	0	0	114	L224 S259 I291 L292 P330	L224-Y263 HydrophobicContact CD1-CD2 4Å; L224-Y263 HydrophobicContact CD1-CG 4Å; S259-Y263 WeakPolarHBondContact O-CB 3.39Å; S259-Y263 VanDerWaalsContact O-CD2 3.3Å; S259-Y263 WeakPolarHBondContact O-CD2 3.49Å; S259-Y263 PolarHBondContact O-N 3.44Å; Y263-I291 HydrophobicContact CD1-CD1 4.1Å; Y263-I291 HydrophobicContact CD2-CD1 3.88Å; Y263-I291 HydrophobicContact CE1-CB 4.3Å; Y263-I291 HydrophobicContact CE1-CD1 4.09Å; Y263-I291 HydrophobicContact CE2-CD1 3.91Å; Y263-I291 HydrophobicContact CG-CD1 3.99Å; Y263-L292 HydrophobicContact CE2-CD1 4.28Å; Y263-P330 HydrophobicContact CE1-CG 4.5Å; Y263-P330 HydrophobicContact CE2-CG 3.92Å; Y263-P330 WeakPolarHBondContact OH-CD 3.32Å; Y263-P330 WeakPolarHBondContact OH-CG 3.31Å
264	L	97.6	Very high	97.6	Very high	11 Å²	11	12.2 Å²	12.2	6%	0.058	7%	0.073	C	C	.	.	S	Bend	trans	-108.9	144.1	-177	-52.6	-177.9	0	0	0	111.9	L224 F227 E228 I231 V260 Y286	L224-L264 HydrophobicContact CB-CD2 4.38Å; F227-L264 HydrophobicContact CB-CD1 4.15Å; E228-L264 HydrophobicContact CB-CD1 3.87Å; E228-L264 HydrophobicContact CB-CD2 4.04Å; E228-L264 HydrophobicContact CG-CD1 4.42Å; E228-L264 HydrophobicContact CG-CD2 4.11Å; I231-L264 HydrophobicContact CD1-CB 4.35Å; I231-L264 HydrophobicContact CD1-CD1 4.06Å; V260-L264 HydrophobicContact CB-CD1 4.46Å; V260-L264 HydrophobicContact CG1-CD1 4.28Å; V260-L264 HydrophobicContact CG2-CD1 4.17Å; V260-L264 VanDerWaalsContact O-CB 3.25Å; V260-L264 WeakPolarHBondContact O-CB 3.42Å; V260-L264 PolarHBondContact O-N 3.27Å; L264-Y286 HydrophobicContact CD2-CD2 4.33Å; L264-Y286 HydrophobicContact CD2-CE1 4.25Å; L264-Y286 HydrophobicContact CD2-CE2 3.71Å
265	P	94.9	Very high	97.6	Very high	93 Å²	93	12.2 Å²	12.2	60%	0.604	7%	0.073	S	C	*	.	S	Bend	trans	-76.8	160.6	173.8	33.2	-35.3	0	0	0	111.7
266	G	94.1	Very high	97.6	Very high	23 Å²	23	12.2 Å²	12.2	24%	0.237	7%	0.073	C	C	.	.			trans	85.5	12.3	169.5	0	0	0	0	0	115.7	G244 V245	G244-G266 CarbonylContact C-O 3.57Å; G244-G266 VanDerWaalsContact CA-O 3.25Å; G244-G266 WeakPolarHBondContact CA-O 3.41Å; V245-G266 PolarHBondContact N-O 2.93Å
267	V	97.3	Very high	97.5	Very high	10 Å²	10	12.5 Å²	12.5	6%	0.061	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	118.3	172.5	-176.9	0	0	0	0	109.4	I231 V247 V260 A261 V270	I231-V267 HydrophobicContact CD1-CG2 3.88Å; V247-V267 HydrophobicContact CG2-CG1 3.99Å; V247-V267 HydrophobicContact CG2-CG2 4.49Å; V260-V267 HydrophobicContact CG1-CG2 3.66Å; A261-V267 HydrophobicContact CB-CB 4.38Å; A261-V267 HydrophobicContact CB-CG1 3.9Å; V267-V270 HydrophobicContact CG1-CG2 3.69Å
268	Q	97.2	Very high	97.5	Very high	47 Å²	47	12.5 Å²	12.5	22%	0.22	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	-32.5	-177.1	-65.8	-159.7	-37.2	0	0	113.6	N243 V245 G336 R337 L430	N243-Q268 PolarHBondContact O-NE2 3.05Å; N243-Q268 VanDerWaalsContact O-NE2 3.14Å; V245-Q268 PolarHBondContact O-N 3.43Å; Q268-G336 CarbonylContact O-C 3.57Å; Q268-G336 VanDerWaalsContact O-CA 3.23Å; Q268-G336 WeakPolarHBondContact O-CA 3.48Å; Q268-R337 PolarHBondContact O-N 2.94Å; Q268-L430 HydrophobicContact CB-CD2 3.81Å
269	A	98	Very high	97.4	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	138.1	-175.5	0	0	0	0	0	110.2	G246 V247 R337 F425 F426 H429 L430	G246-A269 CarbonylContact C-O 3.49Å; G246-A269 VanDerWaalsContact CA-O 3.23Å; G246-A269 WeakPolarHBondContact CA-O 3.2Å; V247-A269 PolarHBondContact N-O 3.22Å; A269-R337 CarbonylContact C-O 3.54Å; A269-R337 VanDerWaalsContact CA-O 3.28Å; A269-R337 WeakPolarHBondContact CA-O 3.36Å; A269-F425 HydrophobicContact CB-CE1 3.8Å; A269-F425 HydrophobicContact CB-CZ 4.43Å; A269-F426 HydrophobicContact CB-CD1 4.14Å; A269-F426 HydrophobicContact CB-CE1 4.22Å; A269-H429 HydrophobicContact CB-CB 3.99Å; A269-L430 HydrophobicContact CB-CD2 3.78Å; A269-L430 HydrophobicContact CB-CG 4.35Å
270	V	98.7	Very high	97.2	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	127.4	176.5	180	0	0	0	0	109.4	V247 A257 A261 V267 R337 F338 L339	V247-V270 HydrophobicContact CB-CG2 4.42Å; V247-V270 CarbonylContact O-C 3.55Å; V247-V270 VanDerWaalsContact O-CA 3.32Å; V247-V270 WeakPolarHBondContact O-CA 3.39Å; A257-V270 HydrophobicContact CB-CG1 3.99Å; A261-V270 HydrophobicContact CB-CG2 3.59Å; V267-V270 HydrophobicContact CG1-CG2 3.69Å; V270-R337 PolarHBondContact N-O 3.15Å; V270-F338 HydrophobicContact CB-CD1 3.68Å; V270-F338 HydrophobicContact CB-CE1 3.86Å; V270-F338 HydrophobicContact CG1-CD1 4.13Å; V270-F338 HydrophobicContact CG1-CE1 4.25Å; V270-F338 HydrophobicContact CG2-CD1 4.27Å; V270-F338 HydrophobicContact CG2-CE1 3.95Å; V270-F338 CarbonylContact O-C 3.59Å; V270-F338 WeakPolarHBondContact O-CA 3.19Å; V270-L339 PolarHBondContact O-N 3.27Å
271	I	98.8	Very high	96.7	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	114.1	166.7	-56.4	-176.1	0	0	0	107.7	V247 I248 S249 I273 L339 I422 F425 F426	V247-I271 PolarHBondContact O-N 3.21Å; I248-I271 HydrophobicContact CB-CB 4.34Å; I248-I271 HydrophobicContact CD1-CB 4.37Å; I248-I271 HydrophobicContact CD1-CD1 4.41Å; I248-I271 HydrophobicContact CD1-CG2 4.27Å; I248-I271 HydrophobicContact CG1-CB 4.07Å; I248-I271 HydrophobicContact CG1-CG2 4.23Å; S249-I271 PolarHBondContact N-O 2.92Å; S249-I271 PolarHBondContact OG-O 3.46Å; S249-I271 VanDerWaalsContact OG-O 3.1Å; I271-I273 HydrophobicContact CG2-CD1 4.12Å; I271-I273 HydrophobicContact CG2-CG1 3.84Å; I271-L339 HydrophobicContact CD1-CD2 4.4Å; I271-L339 HydrophobicContact CG1-CB 4.25Å; I271-L339 HydrophobicContact CG1-CD2 4.41Å; I271-L339 HydrophobicContact CG2-CD2 4.34Å; I271-I422 HydrophobicContact CD1-CB 3.99Å; I271-I422 HydrophobicContact CD1-CG1 3.89Å; I271-I422 HydrophobicContact CD1-CG2 3.77Å; I271-I422 HydrophobicContact CG2-CG1 4.21Å; I271-F425 HydrophobicContact CD1-CB 4.49Å; I271-F425 HydrophobicContact CD1-CD1 3.82Å; I271-F425 HydrophobicContact CG1-CD1 3.56Å; I271-F425 HydrophobicContact CG1-CE1 3.85Å; I271-F426 HydrophobicContact CB-CZ 4.26Å; I271-F426 HydrophobicContact CD1-CD1 4.17Å; I271-F426 HydrophobicContact CD1-CD2 3.74Å; I271-F426 HydrophobicContact CD1-CE1 3.85Å; I271-F426 HydrophobicContact CD1-CE2 3.4Å; I271-F426 VanDerWaalsContact CD1-CE2 3.4Å; I271-F426 HydrophobicContact CD1-CG 4.12Å; I271-F426 HydrophobicContact CD1-CZ 3.46Å; I271-F426 VanDerWaalsContact CD1-CZ 3.46Å; I271-F426 HydrophobicContact CG1-CD1 4.43Å; I271-F426 HydrophobicContact CG1-CE1 3.8Å; I271-F426 HydrophobicContact CG1-CE2 4.11Å; I271-F426 HydrophobicContact CG1-CZ 3.62Å
272	W	98.6	Very high	96.5	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	119.1	178.5	179.2	99.9	0	0	0	108.1	G275 C276 L339 F340 V341 M355 M358	W272-G275 VanDerWaalsContact CH2-N 3.34Å; W272-G275 WeakPolarHBondContact CH2-O 3.42Å; W272-G275 VanDerWaalsContact CZ2-N 3.27Å; W272-G275 WeakPolarHBondContact CZ2-O 3.19Å; W272-C276 PolarHBondContact NE1-O 3.01Å; W272-L339 PolarHBondContact N-O 3.34Å; W272-F340 HydrophobicContact CB-CD1 3.88Å; W272-F340 HydrophobicContact CB-CE1 4.31Å; W272-F340 HydrophobicContact CD2-CD1 4.17Å; W272-F340 HydrophobicContact CE3-CB 4.43Å; W272-F340 HydrophobicContact CE3-CD1 4.17Å; W272-F340 HydrophobicContact CG-CD1 4.11Å; W272-V341 WeakPolarHBondContact CZ3-O 3.38Å; W272-V341 PolarHBondContact O-N 3.23Å; W272-M355 HydrophobicContact CH2-CB 4.46Å; W272-M355 HydrophobicContact CZ3-CB 4.19Å; W272-M358 HydrophobicContact CD2-CE 3.87Å; W272-M358 HydrophobicContact CE3-CE 4.11Å; W272-M358 HydrophobicContact CH2-CE 3.72Å; W272-M358 HydrophobicContact CZ2-CE 3.36Å; W272-M358 HydrophobicContact CZ2-SD 4.47Å; W272-M358 HydrophobicContact CZ3-CE 4.09Å
273	I	98.6	Very high	96.4	Very high	1 Å²	1	17.2 Å²	17.2	1%	0.005	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.7	-178.3	-49.2	169.8	0	0	0	108.8	I248 S249 L250 S251 I271 G275 V341 L382 L418 I422	I248-I273 HydrophobicContact CD1-CD1 4.21Å; I248-I273 HydrophobicContact CG1-CD1 4.27Å; S249-I273 VanDerWaalsContact O-CB 3.31Å; S249-I273 WeakPolarHBondContact O-CB 3.22Å; S249-I273 WeakPolarHBondContact O-CG1 2.92Å; S249-I273 PolarHBondContact O-N 3.32Å; L250-I273 CarbonylContact C-O 3.47Å; L250-I273 VanDerWaalsContact CA-O 3.31Å; L250-I273 WeakPolarHBondContact CA-O 3.21Å; L250-I273 HydrophobicContact CD1-CB 3.85Å; L250-I273 HydrophobicContact CD1-CG2 3.55Å; S251-I273 PolarHBondContact N-O 3.36Å; I271-I273 HydrophobicContact CG2-CD1 4.12Å; I271-I273 HydrophobicContact CG2-CG1 3.84Å; I273-G275 PolarHBondContact O-N 3.45Å; I273-G275 VanDerWaalsContact O-N 3.07Å; I273-V341 HydrophobicContact CB-CB 4.44Å; I273-V341 HydrophobicContact CG1-CB 4.25Å; I273-V341 HydrophobicContact CG1-CG2 4.35Å; I273-V341 HydrophobicContact CG2-CB 4.28Å; I273-V341 HydrophobicContact CG2-CG1 4.17Å; I273-L382 HydrophobicContact CG2-CB 3.96Å; I273-L382 HydrophobicContact CG2-CD1 4.28Å; I273-L418 HydrophobicContact CD1-CD2 4.16Å; I273-L418 HydrophobicContact CG2-CD2 4.25Å; I273-I422 HydrophobicContact CD1-CD1 4.11Å
274	N	98.2	Very high	96.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	48.7	38.9	174.4	-64.8	-22.5	0	0	0	114.3	L250 S251 V341 A342 S343 W349 S351 G379 H380	L250-N274 HydrophobicContact CD1-CB 4.36Å; S251-N274 WeakPolarHBondContact CA-O 3.24Å; N274-V341 PolarHBondContact N-O 3.46Å; N274-V341 PolarHBondContact OD1-O 3.1Å; N274-A342 VanDerWaalsContact OD1-CA 3.3Å; N274-A342 WeakPolarHBondContact OD1-CA 3.49Å; N274-S343 WeakPolarHBondContact ND2-CB 3.33Å; N274-S343 PolarHBondContact ND2-OG 3.07Å; N274-S343 PolarHBondContact OD1-N 2.94Å; N274-W349 WeakPolarHBondContact O-CZ2 3.42Å; N274-W349 PolarHBondContact O-NE1 3.1Å; N274-S351 VanDerWaalsContact C-OG 3.32Å; N274-S351 WeakPolarHBondContact CA-OG 3.14Å; N274-S351 WeakPolarHBondContact CB-OG 3.32Å; N274-S351 PolarHBondContact O-OG 2.61Å; N274-G379 PolarHBondContact ND2-O 3.19Å; N274-H380 PolarHBondContact ND2-O 2.88Å; N274-H380 PolarHBondContact O-CE1 2.63Å
275	G	96.8	Very high	96.5	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	10%	0.1	C	C	.	.			trans	-86.2	-170.7	-179.4	0	0	0	0	0	113.5	S251 W272 I273 W349 Y354	S251-G275 VanDerWaalsContact O-CA 3.31Å; S251-G275 WeakPolarHBondContact O-CA 3.34Å; W272-G275 VanDerWaalsContact CH2-N 3.34Å; W272-G275 WeakPolarHBondContact CH2-O 3.42Å; W272-G275 VanDerWaalsContact CZ2-N 3.27Å; W272-G275 WeakPolarHBondContact CZ2-O 3.19Å; I273-G275 PolarHBondContact O-N 3.45Å; I273-G275 VanDerWaalsContact O-N 3.07Å; G275-W349 VanDerWaalsContact C-CZ2 3.43Å; G275-W349 PolarHBondContact O-NE1 3.4Å; G275-Y354 WeakPolarHBondContact O-CD2 3.42Å
276	C	96.3	Very high	96.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.078	C	C	.	.			trans	-104.9	153.8	163.1	-167.8	0	0	0	0	110.2	W272 A278 V280 W349 Y354	W272-C276 PolarHBondContact NE1-O 3.01Å; C276-A278 VanDerWaalsContact C-N 3.26Å; C276-V280 HydrophobicContact CB-CG2 3.57Å; C276-W349 HydrophobicContact CB-CE3 4.42Å; C276-W349 HydrophobicContact CB-CH2 3.92Å; C276-W349 HydrophobicContact CB-CZ2 4.2Å; C276-W349 HydrophobicContact CB-CZ3 4.05Å; C276-Y354 HydrophobicContact CB-CD2 4.2Å; C276-Y354 HydrophobicContact CB-CE2 4.14Å
277	S	95.1	Very high	96.8	Very high	5 Å²	5	18.7 Å²	18.7	4%	0.035	9%	0.093	C	C	.	.	S	Bend	trans	-81.6	-6	173.3	60.3	0	0	0	0	113.5	V329 M358	S277-V329 PolarHBondContact O-N 2.99Å; S277-M358 VanDerWaalsContact CB-CG 3.47Å
278	A	97.5	Very high	96.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.	B	Isolated β-bridge	trans	-126.5	158.3	179	0	0	0	0	0	110.8	D255 C276 V280 L295 P319 S327 L328	D255-A278 WeakPolarHBondContact CB-O 3.46Å; C276-A278 VanDerWaalsContact C-N 3.26Å; A278-V280 WeakPolarHBondContact O-CG2 3.47Å; A278-V280 PolarHBondContact O-N 3.23Å; A278-L295 HydrophobicContact CB-CB 4.4Å; A278-L295 HydrophobicContact CB-CD2 4Å; A278-P319 HydrophobicContact CB-CB 3.58Å; A278-S327 CarbonylContact C-O 3.53Å; A278-S327 WeakPolarHBondContact CA-O 3.44Å; A278-S327 WeakPolarHBondContact CB-O 3.47Å; A278-L328 HydrophobicContact CB-CD2 4.33Å
279	N	97.5	Very high	96.6	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.152	C	C	.	.			trans	-72.7	108.9	177.5	174.5	63.7	0	0	0	111	D255 F282 L292 S293 A294 L295 S327	D255-N279 WeakPolarHBondContact OD2-CA 3.44Å; N279-F282 PolarHBondContact ND2-O 3.31Å; N279-F282 PolarHBondContact OD1-O 2.96Å; N279-L292 HydrophobicContact CB-CB 3.83Å; N279-L292 HydrophobicContact CB-CD1 3.89Å; N279-S293 PolarHBondContact ND2-O 3.34Å; N279-A294 CarbonylContact O-C 3.59Å; N279-L295 WeakPolarHBondContact O-CB 3.42Å; N279-L295 PolarHBondContact O-N 3.07Å; N279-S327 PolarHBondContact N-O 2.76Å
280	V	93.9	Very high	96.6	Very high	8 Å²	8	36.9 Å²	36.9	5%	0.048	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-93.1	152.7	-174.8	178.6	0	0	0	0	112.2	K252 D255 C276 A278 F282 L295 M316 W349	K252-V280 HydrophobicContact CD-CB 3.84Å; K252-V280 HydrophobicContact CD-CG1 4.27Å; K252-V280 WeakPolarHBondContact CE-O 3.18Å; K252-V280 PolarHBondContact NZ-O 2.95Å; D255-V280 PolarHBondContact OD2-N 3.43Å; C276-V280 HydrophobicContact CB-CG2 3.57Å; A278-V280 WeakPolarHBondContact O-CG2 3.47Å; A278-V280 PolarHBondContact O-N 3.23Å; V280-F282 PolarHBondContact O-N 3.46Å; V280-L295 HydrophobicContact CG2-CB 4.39Å; V280-L295 HydrophobicContact CG2-CD2 4.29Å; V280-M316 HydrophobicContact CB-CE 4.25Å; V280-M316 HydrophobicContact CG1-CE 3.56Å; V280-M316 HydrophobicContact CG1-SD 4.22Å; V280-M316 HydrophobicContact CG2-CE 3.7Å; V280-W349 HydrophobicContact CB-CZ3 4.39Å; V280-W349 HydrophobicContact CG1-CZ3 4.18Å; V280-W349 HydrophobicContact CG2-CH2 4.5Å; V280-W349 HydrophobicContact CG2-CZ3 3.95Å
281	A	88.3	Confident	96.6	Very high	38 Å²	38	39 Å²	39	31%	0.314	18%	0.184	S	C	.	.	S	Bend	trans	66	-45.5	166.1	0	0	0	0	0	117.8	L295	A281-L295 PolarHBondContact N-O 2.94Å
282	F	92.6	Very high	96.6	Very high	45 Å²	45	39.4 Å²	39.4	20%	0.197	19%	0.186	C	C	.	.	S	Bend	trans	-125.7	135.6	-176.3	-56	-74.5	0	0	0	110.2	F185 I219 V222 N279 V280	F185-F282 HydrophobicContact CE1-CD2 4.24Å; F185-F282 AromaticContact CE1-CE2 3.45Å; F185-F282 HydrophobicContact CE1-CE2 3.45Å; F185-F282 VanDerWaalsContact CE1-CE2 3.45Å; F185-F282 HydrophobicContact CE1-CZ 4.24Å; F185-F282 AromaticContact CZ-CD2 3.85Å; F185-F282 HydrophobicContact CZ-CD2 3.85Å; F185-F282 AromaticContact CZ-CE2 3.53Å; F185-F282 HydrophobicContact CZ-CE2 3.53Å; I219-F282 HydrophobicContact CD1-CD2 4.49Å; I219-F282 HydrophobicContact CG1-CE1 4.33Å; I219-F282 HydrophobicContact CG1-CZ 4.35Å; I219-F282 WeakPolarHBondContact O-CE1 3.47Å; V222-F282 HydrophobicContact CG2-CB 4.08Å; N279-F282 PolarHBondContact ND2-O 3.31Å; N279-F282 PolarHBondContact OD1-O 2.96Å; V280-F282 PolarHBondContact O-N 3.46Å
283	P	97.3	Very high	96.5	Very high	29 Å²	29	41.5 Å²	41.5	19%	0.188	20%	0.201	C	C	.	.			trans	-59.9	143.3	170.7	27.2	-34.8	0	0	0	110	K220 E221 V222 Y285 Q290	K220-P283 WeakPolarHBondContact O-CD 3.31Å; E221-P283 HydrophobicContact CB-CG 4.06Å; V222-P283 PolarHBondContact N-O 3.32Å; P283-Y285 HydrophobicContact CB-CD2 4.48Å; P283-Y285 HydrophobicContact CB-CE2 3.82Å; P283-Y285 HydrophobicContact CG-CE2 3.92Å; P283-Q290 HydrophobicContact CB-CG 4.32Å
284	L	98.4	Very high	96.4	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129	-179.5	-172.4	70.8	0	0	0	109.9	V222 L224 L256 S259 I291 L292	V222-L284 HydrophobicContact CB-CD1 3.89Å; V222-L284 HydrophobicContact CG1-CD1 3.8Å; V222-L284 WeakPolarHBondContact O-CA 3.43Å; L224-L284 HydrophobicContact CD1-CD2 4.21Å; L224-L284 HydrophobicContact CD2-CD1 4Å; L224-L284 HydrophobicContact CD2-CD2 4.07Å; L224-L284 HydrophobicContact CD2-CG 4.42Å; L224-L284 HydrophobicContact CG-CD1 4.04Å; L224-L284 HydrophobicContact CG-CD2 3.98Å; L224-L284 HydrophobicContact CG-CG 4.1Å; L256-L284 HydrophobicContact CD2-CD1 3.97Å; S259-L284 VanDerWaalsContact CB-CD2 3.49Å; S259-L284 VanDerWaalsContact OG-CD2 3.3Å; S259-L284 WeakPolarHBondContact OG-CD2 3.34Å; L284-I291 HydrophobicContact CB-CG1 4.32Å; L284-I291 HydrophobicContact CD2-CD1 3.76Å; L284-I291 HydrophobicContact CD2-CG1 4.13Å; L284-I291 HydrophobicContact CG-CD1 4.04Å; L284-I291 HydrophobicContact CG-CG1 4.06Å; L284-I291 VanDerWaalsContact O-CG1 3.28Å; L284-I291 WeakPolarHBondContact O-CG1 3.39Å; L284-I291 PolarHBondContact O-N 3.35Å; L284-L292 HydrophobicContact CB-CB 4.13Å; L284-L292 HydrophobicContact CD2-CD1 3.95Å; L284-L292 PolarHBondContact N-O 3.02Å; L284-L292 PolarHBondContact O-N 2.8Å
285	Y	98.5	Very high	96.4	Very high	50 Å²	50	43 Å²	43	20%	0.196	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	152.8	179.4	-72.2	-106.1	0	0	0	110.9	E221 V222 H223 L224 P283 R289 Q290	E221-Y285 HydrophobicContact CB-CD2 3.94Å; E221-Y285 HydrophobicContact CB-CE2 3.87Å; E221-Y285 WeakPolarHBondContact OE2-CE2 3.23Å; V222-Y285 PolarHBondContact O-N 2.9Å; H223-Y285 CarbonylContact C-O 3.55Å; H223-Y285 WeakPolarHBondContact CA-O 3.34Å; H223-Y285 AromaticContact CE1-CG 3.97Å; H223-Y285 WeakPolarHBondContact ND1-CB 3.31Å; L224-Y285 PolarHBondContact N-O 3.1Å; P283-Y285 HydrophobicContact CB-CD2 4.48Å; P283-Y285 HydrophobicContact CB-CE2 3.82Å; P283-Y285 HydrophobicContact CG-CE2 3.92Å; Y285-R289 CarbonylContact C-O 3.56Å; Y285-R289 VanDerWaalsContact CA-O 3.24Å; Y285-R289 WeakPolarHBondContact CA-O 3.47Å; Y285-R289 VanDerWaalsContact CD1-C 3.49Å; Y285-Q290 HydrophobicContact CD1-CB 4.06Å; Y285-Q290 VanDerWaalsContact CD1-N 3.33Å; Y285-Q290 HydrophobicContact CE1-CB 3.7Å; Y285-Q290 HydrophobicContact CE2-CB 4.3Å; Y285-Q290 HydrophobicContact CE2-CG 4.26Å; Y285-Q290 PolarHBondContact OH-OE1 2.96Å
286	Y	98.3	Very high	96.2	Very high	34 Å²	34	49.8 Å²	49.8	13%	0.133	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	127.7	166.5	-178.6	-139.8	0	0	0	108.8	L224 E228 L264 N288 R289	L224-Y286 HydrophobicContact CB-CD2 3.8Å; L224-Y286 HydrophobicContact CB-CG 4.11Å; L224-Y286 HydrophobicContact CD1-CG 4.48Å; E228-Y286 PolarHBondContact OE1-OH 3.45Å; L264-Y286 HydrophobicContact CD2-CD2 4.33Å; L264-Y286 HydrophobicContact CD2-CE1 4.25Å; L264-Y286 HydrophobicContact CD2-CE2 3.71Å; Y286-N288 VanDerWaalsContact C-N 3.31Å; Y286-N288 PolarHBondContact O-N 3.48Å; Y286-R289 PolarHBondContact N-O 3.07Å; Y286-R289 PolarHBondContact O-N 2.96Å; Y286-R289 VanDerWaalsContact O-N 3.11Å
287	K	96.7	Very high	96.1	Very high	126 Å²	126	53.5 Å²	53.5	55%	0.548	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	49.4	-178	-62.9	176.7	175.5	171.1	0	112.4	D225 R289	D225-K287 PolarHBondContact OD2-N 3.25Å; K287-R289 PolarHBondContact O-N 3.35Å
288	N	94.3	Very high	96	Very high	145 Å²	145	55.4 Å²	55.4	78%	0.775	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	19	-179.8	-59	-30.8	0	0	0	115.6	Y286	Y286-N288 VanDerWaalsContact C-N 3.31Å; Y286-N288 PolarHBondContact O-N 3.48Å
289	R	97.2	Very high	95.7	Very high	197 Å²	197	58.9 Å²	58.9	74%	0.743	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.3	132.6	173.2	-65.3	-177.3	180	-175.6	-0.4	109.7	Y285 Y286 K287 I291	Y285-R289 CarbonylContact C-O 3.56Å; Y285-R289 VanDerWaalsContact CA-O 3.24Å; Y285-R289 WeakPolarHBondContact CA-O 3.47Å; Y285-R289 VanDerWaalsContact CD1-C 3.49Å; Y286-R289 PolarHBondContact N-O 3.07Å; Y286-R289 PolarHBondContact O-N 2.96Å; Y286-R289 VanDerWaalsContact O-N 3.11Å; K287-R289 PolarHBondContact O-N 3.35Å; R289-I291 PolarHBondContact O-N 3.41Å
290	Q	97.9	Very high	95.5	Very high	96 Å²	96	66 Å²	66	45%	0.449	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	121	170.4	-171.7	-178.8	-42.6	0	0	108.3	P283 Y285 S293	P283-Q290 HydrophobicContact CB-CG 4.32Å; Y285-Q290 HydrophobicContact CD1-CB 4.06Å; Y285-Q290 VanDerWaalsContact CD1-N 3.33Å; Y285-Q290 HydrophobicContact CE1-CB 3.7Å; Y285-Q290 HydrophobicContact CE2-CB 4.3Å; Y285-Q290 HydrophobicContact CE2-CG 4.26Å; Y285-Q290 PolarHBondContact OH-OE1 2.96Å; Q290-S293 PolarHBondContact NE2-OG 3.05Å; Q290-S293 VanDerWaalsContact NE2-OG 3.13Å
291	I	98.1	Very high	95.6	Very high	46 Å²	46	70.5 Å²	70.5	24%	0.236	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-26.8	-179.8	54.6	165	0	0	0	112.4	L224 Y263 L284 R289	L224-I291 HydrophobicContact CD1-CD1 3.41Å; L224-I291 VanDerWaalsContact CD1-CD1 3.41Å; L224-I291 HydrophobicContact CG-CD1 4.1Å; Y263-I291 HydrophobicContact CD1-CD1 4.1Å; Y263-I291 HydrophobicContact CD2-CD1 3.88Å; Y263-I291 HydrophobicContact CE1-CB 4.3Å; Y263-I291 HydrophobicContact CE1-CD1 4.09Å; Y263-I291 HydrophobicContact CE2-CD1 3.91Å; Y263-I291 HydrophobicContact CG-CD1 3.99Å; L284-I291 HydrophobicContact CB-CG1 4.32Å; L284-I291 HydrophobicContact CD2-CD1 3.76Å; L284-I291 HydrophobicContact CD2-CG1 4.13Å; L284-I291 HydrophobicContact CG-CD1 4.04Å; L284-I291 HydrophobicContact CG-CG1 4.06Å; L284-I291 VanDerWaalsContact O-CG1 3.28Å; L284-I291 WeakPolarHBondContact O-CG1 3.39Å; L284-I291 PolarHBondContact O-N 3.35Å; R289-I291 PolarHBondContact O-N 3.41Å
292	L	98.3	Very high	95.9	Very high	7 Å²	7	70.5 Å²	70.5	4%	0.037	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	135.5	175	-61.2	173.5	0	0	0	110.5	Y263 N279 L284 A326 L328 V329	Y263-L292 HydrophobicContact CE2-CD1 4.28Å; N279-L292 HydrophobicContact CB-CB 3.83Å; N279-L292 HydrophobicContact CB-CD1 3.89Å; L284-L292 HydrophobicContact CB-CB 4.13Å; L284-L292 HydrophobicContact CD2-CD1 3.95Å; L284-L292 PolarHBondContact N-O 3.02Å; L284-L292 PolarHBondContact O-N 2.8Å; L292-A326 WeakPolarHBondContact CA-O 3.31Å; L292-L328 VanDerWaalsContact CD2-O 3.28Å; L292-L328 WeakPolarHBondContact CD2-O 3.1Å; L292-V329 HydrophobicContact CD1-CB 4.41Å; L292-V329 HydrophobicContact CD1-CG2 3.86Å
293	S	97.6	Very high	96	Very high	45 Å²	45	72.4 Å²	72.4	32%	0.315	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-72.8	157.4	170.8	-64.2	0	0	0	0	111.1	N279 Q290 A326 S327	N279-S293 PolarHBondContact ND2-O 3.34Å; Q290-S293 PolarHBondContact NE2-OG 3.05Å; Q290-S293 VanDerWaalsContact NE2-OG 3.13Å; S293-A326 PolarHBondContact N-O 2.83Å; S293-S327 WeakPolarHBondContact O-CA 3.24Å; S293-S327 VanDerWaalsContact O-CB 3.24Å; S293-S327 WeakPolarHBondContact O-CB 3.25Å
294	A	96.7	Very high	95.9	Very high	30 Å²	30	75.6 Å²	75.6	25%	0.248	37%	0.373	C	S	.	.	P	Polyproline II helix	trans	-75.5	122.8	170.8	0	0	0	0	0	110.6	N279 K296	N279-A294 CarbonylContact O-C 3.59Å; A294-K296 PolarHBondContact O-N 2.79Å
295	L	96.6	Very high	95.7	Very high	1 Å²	1	77.6 Å²	77.6	1%	0.005	39%	0.385	C	S	.	.	B	Isolated β-bridge	trans	-66.3	123.9	164	-173.9	69.5	0	0	0	108.2	A278 N279 V280 A281 M316 H317 P319 N324	A278-L295 HydrophobicContact CB-CB 4.4Å; A278-L295 HydrophobicContact CB-CD2 4Å; N279-L295 WeakPolarHBondContact O-CB 3.42Å; N279-L295 PolarHBondContact O-N 3.07Å; V280-L295 HydrophobicContact CG2-CB 4.39Å; V280-L295 HydrophobicContact CG2-CD2 4.29Å; A281-L295 PolarHBondContact N-O 2.94Å; L295-M316 HydrophobicContact CB-CE 4.41Å; L295-M316 HydrophobicContact CD2-CE 3.58Å; L295-M316 HydrophobicContact CG-CE 3.9Å; L295-H317 HydrophobicContact CD1-CB 3.89Å; L295-H317 HydrophobicContact CG-CB 4.44Å; L295-P319 HydrophobicContact CD1-CB 4.32Å; L295-P319 HydrophobicContact CD2-CB 4.07Å; L295-N324 HydrophobicContact CD1-CB 3.81Å
296	K	94	Very high	95.4	Very high	144 Å²	144	85.2 Å²	85.2	63%	0.626	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-87	170.2	-178.8	-62.1	-176.7	-180	179.5	0	111	A294 H317	A294-K296 PolarHBondContact O-N 2.79Å; K296-H317 WeakPolarHBondContact O-CB 3.44Å; K296-H317 PolarHBondContact O-N 3.45Å
297	F	92.9	Very high	95	Very high	77 Å²	77	86.2 Å²	86.2	34%	0.338	44%	0.435	S	S	.	.	B	Isolated β-bridge	trans	-134.6	155.5	176.1	54.5	-92.7	0	0	0	110	M299 C315 M316 V397	F297-M299 HydrophobicContact CD2-CG 3.9Å; F297-M299 HydrophobicContact CD2-SD 3.75Å; F297-M299 HydrophobicContact CE2-CG 3.79Å; F297-M299 HydrophobicContact CE2-SD 3.74Å; F297-C315 CarbonylContact C-O 3.55Å; F297-C315 WeakPolarHBondContact CA-O 3.33Å; F297-C315 HydrophobicContact CB-CB 4.3Å; F297-C315 WeakPolarHBondContact CB-O 3.42Å; F297-M316 HydrophobicContact CB-SD 3.92Å; F297-V397 HydrophobicContact CE1-CG1 3.94Å; F297-V397 HydrophobicContact CE2-CG1 4.16Å; F297-V397 HydrophobicContact CZ-CG1 3.48Å; F297-V397 VanDerWaalsContact CZ-CG1 3.48Å
298	D	93.4	Very high	94.7	Very high	45 Å²	45	82.8 Å²	82.8	24%	0.241	44%	0.435	C	S	.	.			trans	-111.9	107.9	179.3	-177.6	3.3	0	0	0	109.9	N300 K301 C315	D298-N300 PolarHBondContact O-N 2.9Å; D298-N300 VanDerWaalsContact OD1-CB 3.28Å; D298-N300 WeakPolarHBondContact OD1-CB 3.42Å; D298-N300 PolarHBondContact OD1-N 3.42Å; D298-N300 PolarHBondContact OD1-ND2 3.37Å; D298-K301 HydrophobicContact CB-CD 4.14Å; D298-K301 HydrophobicContact CB-CG 4.24Å; D298-K301 PolarHBondContact O-N 2.78Å; D298-K301 VanDerWaalsContact OD2-CE 3.29Å; D298-K301 WeakPolarHBondContact OD2-CE 3.18Å; D298-C315 PolarHBondContact N-O 2.75Å; D298-C315 PolarHBondContact O-SG 3.19Å; D298-C315 VanDerWaalsContact O-SG 3.42Å
299	M	91.5	Very high	94.8	Very high	73 Å²	73	75.9 Å²	75.9	36%	0.36	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-71.4	-13	180	-69.3	-59.1	-65.6	0	0	113	F297 K301 V302 T398	F297-M299 HydrophobicContact CD2-CG 3.9Å; F297-M299 HydrophobicContact CD2-SD 3.75Å; F297-M299 HydrophobicContact CE2-CG 3.79Å; F297-M299 HydrophobicContact CE2-SD 3.74Å; M299-K301 PolarHBondContact O-N 3.03Å; M299-V302 HydrophobicContact CE-CG1 3.73Å; M299-V302 VanDerWaalsContact O-CG2 3.26Å; M299-V302 WeakPolarHBondContact O-CG2 3.47Å; M299-V302 PolarHBondContact O-N 3.18Å; M299-V302 HydrophobicContact SD-CG1 4.18Å; M299-T398 HydrophobicContact CE-CG2 3.93Å; M299-T398 HydrophobicContact SD-CG2 4.5Å
300	N	93.5	Very high	94.8	Very high	151 Å²	151	67.6 Å²	67.6	81%	0.807	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-72.3	-10.8	173.8	-59	-45.7	0	0	0	112.5	D298	D298-N300 PolarHBondContact O-N 2.9Å; D298-N300 VanDerWaalsContact OD1-CB 3.28Å; D298-N300 WeakPolarHBondContact OD1-CB 3.42Å; D298-N300 PolarHBondContact OD1-N 3.42Å; D298-N300 PolarHBondContact OD1-ND2 3.37Å
301	K	94.8	Very high	94.8	Very high	101 Å²	101	63.9 Å²	63.9	44%	0.439	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-97.5	4.6	179.3	-60.4	-177.8	-177.7	176.7	0	113.9	D298 M299 Y314	D298-K301 HydrophobicContact CB-CD 4.14Å; D298-K301 HydrophobicContact CB-CG 4.24Å; D298-K301 PolarHBondContact O-N 2.78Å; D298-K301 VanDerWaalsContact OD2-CE 3.29Å; D298-K301 WeakPolarHBondContact OD2-CE 3.18Å; M299-K301 PolarHBondContact O-N 3.03Å; K301-Y314 WeakPolarHBondContact CD-O 3.48Å
302	V	94.6	Very high	94.7	Very high	38 Å²	38	62.1 Å²	62.1	23%	0.23	34%	0.344	C	S	.	.			trans	-66.1	144.7	171.6	-60.5	0	0	0	0	109.5	M299 L310 V311 T312 C315	M299-V302 HydrophobicContact CE-CG1 3.73Å; M299-V302 VanDerWaalsContact O-CG2 3.26Å; M299-V302 WeakPolarHBondContact O-CG2 3.47Å; M299-V302 PolarHBondContact O-N 3.18Å; M299-V302 HydrophobicContact SD-CG1 4.18Å; V302-L310 HydrophobicContact CB-CD1 4.25Å; V302-L310 HydrophobicContact CG1-CD1 4.31Å; V302-L310 HydrophobicContact CG2-CD1 4.3Å; V302-V311 WeakPolarHBondContact CA-O 3.19Å; V302-T312 HydrophobicContact CG1-CG2 4.45Å; V302-C315 WeakPolarHBondContact CG1-SG 3.27Å
303	I	96.3	Very high	94.5	Very high	85 Å²	85	63.3 Å²	63.3	44%	0.436	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.5	174.8	-57.2	168.2	0	0	0	107.9	L310 V311 Y314	I303-L310 CarbonylContact O-C 3.45Å; I303-L310 WeakPolarHBondContact O-CA 3.46Å; I303-V311 HydrophobicContact CB-CB 4.19Å; I303-V311 PolarHBondContact N-O 3.19Å; I303-V311 VanDerWaalsContact N-O 3.09Å; I303-V311 PolarHBondContact O-N 3.26Å; I303-Y314 HydrophobicContact CD1-CD2 3.76Å; I303-Y314 HydrophobicContact CD1-CE2 3.82Å
304	S	94.9	Very high	94.4	Very high	96 Å²	96	67.6 Å²	67.6	67%	0.671	36%	0.359	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.5	144.5	174.3	-59.9	0	0	0	0	110.9
305	T	94.5	Very high	94.3	Very high	42 Å²	42	66.4 Å²	66.4	26%	0.258	35%	0.349	S	S	.	.			trans	-116.3	161.2	175.7	71.6	0	0	0	0	110.8	S307 G308 A309 V311 L403	T305-S307 PolarHBondContact O-N 2.56Å; T305-S307 VanDerWaalsContact O-N 3.14Å; T305-S307 PolarHBondContact OG1-OG 2.85Å; T305-G308 PolarHBondContact O-N 2.85Å; T305-A309 WeakPolarHBondContact CB-O 3.32Å; T305-A309 WeakPolarHBondContact CG2-O 3.34Å; T305-A309 PolarHBondContact N-O 2.87Å; T305-A309 PolarHBondContact OG1-O 3.4Å; T305-V311 HydrophobicContact CG2-CG2 4Å; T305-L403 HydrophobicContact CG2-CD1 3.88Å; T305-L403 HydrophobicContact CG2-CG 4.4Å
306	E	91.9	Very high	94.2	Very high	211 Å²	211	67.7 Å²	67.7	99%	0.986	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-25.9	176.3	-63.7	-178.3	175.5	0	0	113	G308	E306-G308 PolarHBondContact O-N 3.48Å
307	S	89.6	Confident	94.3	Very high	55 Å²	55	63.6 Å²	63.6	39%	0.385	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-12.4	176.7	73.5	0	0	0	0	114	H113 T305 A309	H113-S307 PolarHBondContact NE2-O 3.08Å; T305-S307 PolarHBondContact O-N 2.56Å; T305-S307 VanDerWaalsContact O-N 3.14Å; T305-S307 PolarHBondContact OG1-OG 2.85Å; S307-A309 VanDerWaalsContact C-N 3.27Å; S307-A309 WeakPolarHBondContact OG-CB 3.45Å; S307-A309 PolarHBondContact OG-N 3.39Å
308	G	91.1	Very high	94.5	Very high	54 Å²	54	63.6 Å²	63.6	56%	0.557	34%	0.342	S	S	*	.	S	Bend	trans	84.1	-6.3	-170.5	0	0	0	0	0	114.1	T305 E306	T305-G308 PolarHBondContact O-N 2.85Å; E306-G308 PolarHBondContact O-N 3.48Å
309	A	95.8	Very high	94.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-79.4	156.7	168.8	0	0	0	0	0	112.2	T305 S307 P401 L403	T305-A309 WeakPolarHBondContact CB-O 3.32Å; T305-A309 WeakPolarHBondContact CG2-O 3.34Å; T305-A309 PolarHBondContact N-O 2.87Å; T305-A309 PolarHBondContact OG1-O 3.4Å; S307-A309 VanDerWaalsContact C-N 3.27Å; S307-A309 WeakPolarHBondContact OG-CB 3.45Å; S307-A309 PolarHBondContact OG-N 3.39Å; A309-P401 VanDerWaalsContact CA-O 3.32Å; A309-P401 WeakPolarHBondContact CA-O 3.43Å; A309-P401 HydrophobicContact CB-CB 4.04Å; A309-L403 HydrophobicContact CB-CD2 3.72Å; A309-L403 HydrophobicContact CB-CG 4.19Å
310	L	96.7	Very high	94.7	Very high	23 Å²	23	62.8 Å²	62.8	12%	0.12	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	150.4	175.7	-52.2	-178.6	0	0	0	112.3	V302 I303 V400 P401 V402 L403	V302-L310 HydrophobicContact CB-CD1 4.25Å; V302-L310 HydrophobicContact CG1-CD1 4.31Å; V302-L310 HydrophobicContact CG2-CD1 4.3Å; I303-L310 CarbonylContact O-C 3.45Å; I303-L310 WeakPolarHBondContact O-CA 3.46Å; L310-V400 HydrophobicContact CD1-CG2 3.46Å; L310-V400 VanDerWaalsContact CD1-CG2 3.46Å; L310-V400 HydrophobicContact CG-CG2 3.89Å; L310-P401 PolarHBondContact N-O 3.29Å; L310-V402 HydrophobicContact CB-CG1 4.33Å; L310-V402 CarbonylContact O-C 3.33Å; L310-V402 WeakPolarHBondContact O-CA 3.27Å; L310-V402 WeakPolarHBondContact O-CB 3.41Å; L310-L403 PolarHBondContact O-N 3Å
311	V	97.2	Very high	94.8	Very high	18 Å²	18	60.7 Å²	60.7	11%	0.109	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.3	161.1	178.8	0	0	0	0	108.3	V302 I303 T305 K313 L347 L403	V302-V311 WeakPolarHBondContact CA-O 3.19Å; I303-V311 HydrophobicContact CB-CB 4.19Å; I303-V311 PolarHBondContact N-O 3.19Å; I303-V311 VanDerWaalsContact N-O 3.09Å; I303-V311 PolarHBondContact O-N 3.26Å; T305-V311 HydrophobicContact CG2-CG2 4Å; V311-K313 HydrophobicContact CG1-CB 3.99Å; V311-L347 HydrophobicContact CG1-CB 4.5Å; V311-L347 HydrophobicContact CG1-CD2 4.22Å; V311-L403 HydrophobicContact CG2-CB 4.44Å; V311-L403 HydrophobicContact CG2-CD1 3.91Å; V311-L403 HydrophobicContact CG2-CG 4.33Å
312	T	95.7	Very high	94.8	Very high	9 Å²	9	62.4 Å²	62.4	6%	0.055	33%	0.332	C	S	.	.			trans	-105.4	-1	-177.5	57.9	0	0	0	0	113.6	V302 Y314 C315 L347 N348 T398 V402	V302-T312 HydrophobicContact CG1-CG2 4.45Å; T312-Y314 PolarHBondContact O-N 2.92Å; T312-C315 VanDerWaalsContact O-CB 3.31Å; T312-C315 WeakPolarHBondContact O-CB 3.36Å; T312-C315 PolarHBondContact O-N 3.42Å; T312-L347 PolarHBondContact N-O 2.94Å; T312-N348 CarbonylContact C-O 3.48Å; T312-N348 VanDerWaalsContact C-O 3.32Å; T312-N348 PolarHBondContact OG1-O 2.81Å; T312-N348 VanDerWaalsContact OG1-O 3.08Å; T312-T398 HydrophobicContact CG2-CG2 3.88Å; T312-V402 HydrophobicContact CG2-CB 4.34Å; T312-V402 HydrophobicContact CG2-CG1 3.76Å
313	K	95.8	Very high	94.9	Very high	32 Å²	32	67.1 Å²	67.1	14%	0.139	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-44.6	-39.4	-175.8	-171.5	172.7	-172.8	146.8	0	114.4	V311 D346 L347 N348	V311-K313 HydrophobicContact CG1-CB 3.99Å; K313-D346 VanDerWaalsContact CD-O 3.31Å; K313-D346 WeakPolarHBondContact CD-O 3.43Å; K313-D346 WeakPolarHBondContact CE-O 3.4Å; K313-D346 PolarHBondContact NZ-O 3Å; K313-L347 WeakPolarHBondContact CA-O 3.4Å; K313-L347 HydrophobicContact CD-CD2 4.25Å; K313-L347 PolarHBondContact N-O 2.92Å; K313-N348 WeakPolarHBondContact CA-O 3.3Å; K313-N348 PolarHBondContact N-O 2.98Å
314	Y	94.8	Very high	94.9	Very high	134 Å²	134	64.1 Å²	64.1	53%	0.525	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	4.1	-172.3	-50.8	-64.4	0	0	0	114.3	K301 I303 T312	K301-Y314 WeakPolarHBondContact CD-O 3.48Å; I303-Y314 HydrophobicContact CD1-CD2 3.76Å; I303-Y314 HydrophobicContact CD1-CE2 3.82Å; T312-Y314 PolarHBondContact O-N 2.92Å
315	C	94.6	Very high	94.9	Very high	6 Å²	6	64 Å²	64	4%	0.041	32%	0.323	C	S	.	.			trans	-77	-31.6	-176.4	-68	0	0	0	0	113.1	F297 D298 V302 T312 H317	F297-C315 CarbonylContact C-O 3.55Å; F297-C315 WeakPolarHBondContact CA-O 3.33Å; F297-C315 HydrophobicContact CB-CB 4.3Å; F297-C315 WeakPolarHBondContact CB-O 3.42Å; D298-C315 PolarHBondContact N-O 2.75Å; D298-C315 PolarHBondContact O-SG 3.19Å; D298-C315 VanDerWaalsContact O-SG 3.42Å; V302-C315 WeakPolarHBondContact CG1-SG 3.27Å; T312-C315 VanDerWaalsContact O-CB 3.31Å; T312-C315 WeakPolarHBondContact O-CB 3.36Å; T312-C315 PolarHBondContact O-N 3.42Å; C315-H317 PolarHBondContact O-N 2.55Å
316	M	95.4	Very high	95	Very high	28 Å²	28	64.8 Å²	64.8	14%	0.138	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-63.7	135.4	-176.1	-66.2	-52.4	-55.8	0	0	111.4	V280 L295 F297 W349 Y354	V280-M316 HydrophobicContact CB-CE 4.25Å; V280-M316 HydrophobicContact CG1-CE 3.56Å; V280-M316 HydrophobicContact CG1-SD 4.22Å; V280-M316 HydrophobicContact CG2-CE 3.7Å; L295-M316 HydrophobicContact CB-CE 4.41Å; L295-M316 HydrophobicContact CD2-CE 3.58Å; L295-M316 HydrophobicContact CG-CE 3.9Å; F297-M316 HydrophobicContact CB-SD 3.92Å; M316-W349 HydrophobicContact CG-CB 4.14Å; M316-W349 HydrophobicContact CG-CE3 4.02Å; M316-W349 HydrophobicContact SD-CE3 4.22Å; M316-Y354 VanDerWaalsContact CB-OH 3.24Å; M316-Y354 WeakPolarHBondContact CB-OH 3.46Å
317	H	95.9	Very high	95.3	Very high	58 Å²	58	54.9 Å²	54.9	27%	0.269	29%	0.288	S	S	.	.			trans	-63.1	149	167.7	-71.5	-171.7	0	0	0	110	L295 K296 C315 P319	L295-H317 HydrophobicContact CD1-CB 3.89Å; L295-H317 HydrophobicContact CG-CB 4.44Å; K296-H317 WeakPolarHBondContact O-CB 3.44Å; K296-H317 PolarHBondContact O-N 3.45Å; C315-H317 PolarHBondContact O-N 2.55Å; H317-P319 VanDerWaalsContact O-CD 3.25Å; H317-P319 WeakPolarHBondContact O-CD 3.45Å
318	D	95.6	Very high	95.7	Very high	76 Å²	76	53.6 Å²	53.6	41%	0.406	28%	0.277	S	S	.	.			trans	-68.5	115.1	176.6	178	-2.4	0	0	0	109.8	L320 K321 N324	D318-L320 PolarHBondContact O-N 3.02Å; D318-L320 WeakPolarHBondContact OD1-CB 3.47Å; D318-L320 PolarHBondContact OD1-N 2.92Å; D318-K321 HydrophobicContact CB-CD 4.13Å; D318-K321 HydrophobicContact CB-CG 3.92Å; D318-K321 PolarHBondContact O-N 3.42Å; D318-N324 WeakPolarHBondContact O-CB 3.42Å; D318-N324 PolarHBondContact O-ND2 3.14Å
319	P	95.3	Very high	96	Very high	5 Å²	5	51 Å²	51	3%	0.032	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-15.6	-177.7	30.3	-36.3	0	0	0	113.4	A278 L295 H317 L328 Y354	A278-P319 HydrophobicContact CB-CB 3.58Å; L295-P319 HydrophobicContact CD1-CB 4.32Å; L295-P319 HydrophobicContact CD2-CB 4.07Å; H317-P319 VanDerWaalsContact O-CD 3.25Å; H317-P319 WeakPolarHBondContact O-CD 3.45Å; P319-L328 HydrophobicContact CB-CD2 3.81Å; P319-L328 WeakPolarHBondContact O-CD1 3.35Å; P319-L328 WeakPolarHBondContact O-CG 3.35Å; P319-Y354 HydrophobicContact CG-CD1 4.18Å; P319-Y354 HydrophobicContact CG-CE1 3.79Å
320	L	94.1	Very high	96.1	Very high	96 Å²	96	51.4 Å²	51.4	50%	0.503	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-13.8	-178.2	-59	-178.9	0	0	0	113.5	D318 L328 A357	D318-L320 PolarHBondContact O-N 3.02Å; D318-L320 WeakPolarHBondContact OD1-CB 3.47Å; D318-L320 PolarHBondContact OD1-N 2.92Å; L320-L328 HydrophobicContact CD2-CD1 4.4Å; L320-L328 HydrophobicContact CD2-CD2 4.19Å; L320-A357 HydrophobicContact CD1-CB 4.36Å
321	K	96.1	Very high	96.1	Very high	108 Å²	108	50.4 Å²	50.4	47%	0.47	25%	0.248	S	C	.	.	S	Bend	trans	-67.1	145	175	-70.2	-171.6	176.9	-169.2	0	111.9	D318 E323 N324 K325	D318-K321 HydrophobicContact CB-CD 4.13Å; D318-K321 HydrophobicContact CB-CG 3.92Å; D318-K321 PolarHBondContact O-N 3.42Å; K321-E323 VanDerWaalsContact C-N 3.27Å; K321-E323 WeakPolarHBondContact CB-OE2 3.47Å; K321-E323 WeakPolarHBondContact CD-OE1 3.4Å; K321-E323 PolarHBondContact O-N 2.77Å; K321-N324 PolarHBondContact O-N 3.43Å; K321-K325 WeakPolarHBondContact O-CG 3.28Å; K321-K325 PolarHBondContact O-N 3.46Å
322	E	95.4	Very high	96.1	Very high	137 Å²	137	51 Å²	51	64%	0.64	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-49.8	-45.6	-176.1	-68	-59	150.6	0	0	112.8	N324 K325	E322-N324 PolarHBondContact O-N 3.03Å; E322-K325 VanDerWaalsContact CD-CE 3.41Å; E322-K325 PolarHBondContact O-N 3.28Å; E322-K325 VanDerWaalsContact OE1-CE 3.27Å; E322-K325 WeakPolarHBondContact OE1-CE 3.26Å; E322-K325 IonicContact OE1-NZ 3.07Å; E322-K325 PolarHBondContact OE1-NZ 2.89Å; E322-K325 WeakPolarHBondContact OE2-CD 3.22Å; E322-K325 WeakPolarHBondContact OE2-CE 3.4Å; E322-K325 IonicContact OE2-NZ 2.76Å; E322-K325 PolarHBondContact OE2-NZ 3.37Å
323	E	96	Very high	96.2	Very high	136 Å²	136	58.5 Å²	58.5	64%	0.636	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-64.4	-21.5	-178.9	64.9	-89.6	-156.7	0	0	114	K321	K321-E323 VanDerWaalsContact C-N 3.27Å; K321-E323 WeakPolarHBondContact CB-OE2 3.47Å; K321-E323 WeakPolarHBondContact CD-OE1 3.4Å; K321-E323 PolarHBondContact O-N 2.77Å
324	N	96.8	Very high	96.3	Very high	23 Å²	23	57 Å²	57	12%	0.123	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-105.8	-5.8	-177.5	-61.8	-45.2	0	0	0	113.3	L295 D318 K321 E322 A326 S327	L295-N324 HydrophobicContact CD1-CB 3.81Å; D318-N324 WeakPolarHBondContact O-CB 3.42Å; D318-N324 PolarHBondContact O-ND2 3.14Å; K321-N324 PolarHBondContact O-N 3.43Å; E322-N324 PolarHBondContact O-N 3.03Å; N324-A326 PolarHBondContact O-N 2.84Å; N324-S327 WeakPolarHBondContact O-CB 3.34Å; N324-S327 PolarHBondContact O-N 3.36Å; N324-S327 PolarHBondContact O-OG 3.48Å
325	K	95	Very high	96.2	Very high	92 Å²	92	55.7 Å²	55.7	40%	0.4	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-56.9	-28.1	-175.1	-76.2	-173.5	-179.9	174.2	0	114.3	K321 E322 S327 L328	K321-K325 WeakPolarHBondContact O-CG 3.28Å; K321-K325 PolarHBondContact O-N 3.46Å; E322-K325 VanDerWaalsContact CD-CE 3.41Å; E322-K325 PolarHBondContact O-N 3.28Å; E322-K325 VanDerWaalsContact OE1-CE 3.27Å; E322-K325 WeakPolarHBondContact OE1-CE 3.26Å; E322-K325 IonicContact OE1-NZ 3.07Å; E322-K325 PolarHBondContact OE1-NZ 2.89Å; E322-K325 WeakPolarHBondContact OE2-CD 3.22Å; E322-K325 WeakPolarHBondContact OE2-CE 3.4Å; E322-K325 IonicContact OE2-NZ 2.76Å; E322-K325 PolarHBondContact OE2-NZ 3.37Å; K325-S327 PolarHBondContact O-N 3.04Å; K325-S327 VanDerWaalsContact O-N 3.13Å; K325-L328 HydrophobicContact CB-CD1 4.35Å; K325-L328 HydrophobicContact CG-CD1 4.13Å; K325-L328 WeakPolarHBondContact O-CB 3.44Å; K325-L328 PolarHBondContact O-N 3.42Å; K325-L328 VanDerWaalsContact O-N 3.08Å
326	A	96.9	Very high	96.3	Very high	60 Å²	60	55.7 Å²	55.7	50%	0.496	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-64.5	-11.1	175.4	0	0	0	0	0	114.2	L292 S293 N324	L292-A326 WeakPolarHBondContact CA-O 3.31Å; S293-A326 PolarHBondContact N-O 2.83Å; N324-A326 PolarHBondContact O-N 2.84Å
327	S	98.1	Very high	96.4	Very high	2 Å²	2	60.5 Å²	60.5	1%	0.014	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-93.4	-15.1	173.7	68.7	0	0	0	0	113.6	A278 N279 S293 N324 K325 V329	A278-S327 CarbonylContact C-O 3.53Å; A278-S327 WeakPolarHBondContact CA-O 3.44Å; A278-S327 WeakPolarHBondContact CB-O 3.47Å; N279-S327 PolarHBondContact N-O 2.76Å; S293-S327 WeakPolarHBondContact O-CA 3.24Å; S293-S327 VanDerWaalsContact O-CB 3.24Å; S293-S327 WeakPolarHBondContact O-CB 3.25Å; N324-S327 WeakPolarHBondContact O-CB 3.34Å; N324-S327 PolarHBondContact O-N 3.36Å; N324-S327 PolarHBondContact O-OG 3.48Å; K325-S327 PolarHBondContact O-N 3.04Å; K325-S327 VanDerWaalsContact O-N 3.13Å; S327-V329 PolarHBondContact O-N 3.47Å
328	L	97.4	Very high	96.6	Very high	28 Å²	28	57.8 Å²	57.8	15%	0.147	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-67.3	127.3	-175	-75.6	170.8	0	0	0	111.7	A278 L292 P319 L320 K325	A278-L328 HydrophobicContact CB-CD2 4.33Å; L292-L328 VanDerWaalsContact CD2-O 3.28Å; L292-L328 WeakPolarHBondContact CD2-O 3.1Å; P319-L328 HydrophobicContact CB-CD2 3.81Å; P319-L328 WeakPolarHBondContact O-CD1 3.35Å; P319-L328 WeakPolarHBondContact O-CG 3.35Å; L320-L328 HydrophobicContact CD2-CD1 4.4Å; L320-L328 HydrophobicContact CD2-CD2 4.19Å; K325-L328 HydrophobicContact CB-CD1 4.35Å; K325-L328 HydrophobicContact CG-CD1 4.13Å; K325-L328 WeakPolarHBondContact O-CB 3.44Å; K325-L328 PolarHBondContact O-N 3.42Å; K325-L328 VanDerWaalsContact O-N 3.08Å
329	V	98	Very high	96.7	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.006	27%	0.267	C	S	.	.			trans	-74.3	127.8	176	-170.7	0	0	0	0	109.5	D255 L258 S277 L292 S327 I331 R361	D255-V329 HydrophobicContact CB-CG2 4.45Å; L258-V329 HydrophobicContact CB-CB 4.18Å; L258-V329 HydrophobicContact CB-CG1 3.69Å; L258-V329 HydrophobicContact CB-CG2 4.35Å; S277-V329 PolarHBondContact O-N 2.99Å; L292-V329 HydrophobicContact CD1-CB 4.41Å; L292-V329 HydrophobicContact CD1-CG2 3.86Å; S327-V329 PolarHBondContact O-N 3.47Å; V329-I331 VanDerWaalsContact C-N 3.25Å; V329-I331 HydrophobicContact CB-CG2 4.25Å; V329-I331 HydrophobicContact CG1-CG2 4.09Å; V329-I331 PolarHBondContact O-N 3.43Å; V329-R361 PolarHBondContact O-NH1 3.08Å
330	P	97.3	Very high	96.9	Very high	8 Å²	8	53.9 Å²	53.9	5%	0.052	27%	0.265	C	S	.	.			trans	-82.6	66	-176.8	35.3	-37.3	0	0	0	112.2	S262 Y263 E332 R333	S262-P330 PolarHBondContact OG-O 2.81Å; Y263-P330 HydrophobicContact CE1-CG 4.5Å; Y263-P330 HydrophobicContact CE2-CG 3.92Å; Y263-P330 WeakPolarHBondContact OH-CD 3.32Å; Y263-P330 WeakPolarHBondContact OH-CG 3.31Å; P330-E332 WeakPolarHBondContact CA-OE2 3.4Å; P330-E332 WeakPolarHBondContact CB-OE1 3.37Å; P330-E332 PolarHBondContact O-N 3.49Å; P330-E332 VanDerWaalsContact O-N 3.09Å; P330-R333 HydrophobicContact CB-CG 4.15Å; P330-R333 VanDerWaalsContact O-CB 3.31Å; P330-R333 WeakPolarHBondContact O-CB 3.23Å; P330-R333 WeakPolarHBondContact O-CG 3.31Å; P330-R333 PolarHBondContact O-N 2.88Å
331	I	97.3	Very high	97.1	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-59.9	-21.7	-173.8	61.6	169	0	0	0	114.3	L258 V329 R333 A334 M358 L362	L258-I331 HydrophobicContact CB-CG2 3.98Å; L258-I331 HydrophobicContact CD1-CG2 4.09Å; L258-I331 HydrophobicContact CD2-CG2 3.75Å; L258-I331 HydrophobicContact CG-CG2 4.14Å; V329-I331 VanDerWaalsContact C-N 3.25Å; V329-I331 HydrophobicContact CB-CG2 4.25Å; V329-I331 HydrophobicContact CG1-CG2 4.09Å; V329-I331 PolarHBondContact O-N 3.43Å; I331-R333 PolarHBondContact O-N 2.89Å; I331-A334 WeakPolarHBondContact O-CB 3.48Å; I331-A334 PolarHBondContact O-N 2.9Å; I331-A334 VanDerWaalsContact O-N 3.09Å; I331-M358 HydrophobicContact CD1-CB 3.47Å; I331-M358 VanDerWaalsContact CD1-CB 3.47Å; I331-M358 HydrophobicContact CD1-CG 3.71Å; I331-M358 HydrophobicContact CD1-SD 4.25Å; I331-L362 HydrophobicContact CD1-CD1 4.04Å; I331-L362 HydrophobicContact CD1-CD2 4.09Å; I331-L362 HydrophobicContact CD1-CG 3.75Å; I331-L362 HydrophobicContact CG1-CD2 4.03Å; I331-L362 HydrophobicContact CG1-CG 4.22Å
332	E	97.6	Very high	97.2	Very high	31 Å²	31	44.2 Å²	44.2	15%	0.145	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-61.4	-21.9	172.8	69	-78.9	-176.2	0	0	112.9	P330 A334 R361 H365 K367	P330-E332 WeakPolarHBondContact CA-OE2 3.4Å; P330-E332 WeakPolarHBondContact CB-OE1 3.37Å; P330-E332 PolarHBondContact O-N 3.49Å; P330-E332 VanDerWaalsContact O-N 3.09Å; E332-A334 VanDerWaalsContact C-N 3.32Å; E332-R361 VanDerWaalsContact CD-NH2 3.27Å; E332-R361 IonicContact OE1-CZ 3.68Å; E332-R361 IonicContact OE1-NE 3.03Å; E332-R361 IonicContact OE1-NH2 2.78Å; E332-R361 PolarHBondContact OE1-NH2 2.8Å; E332-R361 IonicContact OE2-CZ 3.78Å; E332-R361 IonicContact OE2-NE 3.3Å; E332-R361 PolarHBondContact OE2-NE 3.08Å; E332-R361 IonicContact OE2-NH2 3.27Å; E332-R361 PolarHBondContact OE2-NH2 2.98Å; E332-H365 HydrophobicContact CB-CB 3.95Å; E332-K367 WeakPolarHBondContact O-CE 3.38Å; E332-K367 PolarHBondContact O-NZ 2.96Å
333	R	97.2	Very high	97.4	Very high	166 Å²	166	37.7 Å²	37.7	63%	0.626	19%	0.189	S	C	*	.	G	3₁₀ helix	trans	-75.8	-22.9	176.5	-62.8	-177.5	179.1	-173.8	-2.7	112.5	P330 I331	P330-R333 HydrophobicContact CB-CG 4.15Å; P330-R333 VanDerWaalsContact O-CB 3.31Å; P330-R333 WeakPolarHBondContact O-CB 3.23Å; P330-R333 WeakPolarHBondContact O-CG 3.31Å; P330-R333 PolarHBondContact O-N 2.88Å; I331-R333 PolarHBondContact O-N 2.89Å
334	A	97.3	Very high	97.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	18%	0.177	C	C	.	.			trans	-69.4	141.5	-179.9	0	0	0	0	0	111.5	A261 I331 E332 F338 K367	A261-A334 HydrophobicContact CB-CB 4.12Å; A261-A334 WeakPolarHBondContact O-CA 3.31Å; A261-A334 VanDerWaalsContact O-CB 3.3Å; A261-A334 WeakPolarHBondContact O-CB 3.4Å; I331-A334 WeakPolarHBondContact O-CB 3.48Å; I331-A334 PolarHBondContact O-N 2.9Å; I331-A334 VanDerWaalsContact O-N 3.09Å; E332-A334 VanDerWaalsContact C-N 3.32Å; A334-F338 HydrophobicContact CB-CE2 3.77Å; A334-F338 HydrophobicContact CB-CZ 3.44Å; A334-F338 VanDerWaalsContact CB-CZ 3.44Å; A334-K367 PolarHBondContact O-NZ 2.71Å
335	S	93.9	Very high	97.6	Very high	106 Å²	106	36.6 Å²	36.6	74%	0.741	18%	0.184	S	C	*	.			trans	-101.2	-24.1	175.7	55.1	0	0	0	0	113.1
336	G	95.8	Very high	97.8	Very high	6 Å²	6	32.2 Å²	32.2	6%	0.062	17%	0.165	C	C	.	.	S	Bend	trans	-66.8	163.6	177.5	0	0	0	0	0	113.1	Q268 N369	Q268-G336 CarbonylContact O-C 3.57Å; Q268-G336 VanDerWaalsContact O-CA 3.23Å; Q268-G336 WeakPolarHBondContact O-CA 3.48Å; G336-N369 PolarHBondContact O-ND2 2.94Å
337	R	97.9	Very high	97.8	Very high	129 Å²	129	30.8 Å²	30.8	49%	0.487	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	149.3	178.5	-59.6	-151.6	-178.5	-165.8	-2.6	112.2	Q268 A269 V270 N369 F425 H429	Q268-R337 PolarHBondContact O-N 2.94Å; A269-R337 CarbonylContact C-O 3.54Å; A269-R337 VanDerWaalsContact CA-O 3.28Å; A269-R337 WeakPolarHBondContact CA-O 3.36Å; V270-R337 PolarHBondContact N-O 3.15Å; R337-N369 CarbonylContact C-O 3.45Å; R337-N369 VanDerWaalsContact CA-O 3.25Å; R337-N369 WeakPolarHBondContact CA-O 3.35Å; R337-N369 HydrophobicContact CG-CB 4.3Å; R337-F425 HydrophobicContact CB-CZ 4.05Å; R337-H429 WeakPolarHBondContact CD-ND1 3.35Å; R337-H429 PolarHBondContact NH1-CE1 2.86Å; R337-H429 VanDerWaalsContact NH1-CE1 3.27Å
338	F	98.8	Very high	97.7	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	139.1	178	-63.8	-83.3	0	0	0	112.3	L258 A261 V270 A334 F340 L362 N369 F370 E371	L258-F338 HydrophobicContact CD2-CD1 4.21Å; L258-F338 HydrophobicContact CD2-CE1 3.82Å; A261-F338 HydrophobicContact CB-CE1 4.24Å; A261-F338 HydrophobicContact CB-CZ 4.22Å; V270-F338 HydrophobicContact CB-CD1 3.68Å; V270-F338 HydrophobicContact CB-CE1 3.86Å; V270-F338 HydrophobicContact CG1-CD1 4.13Å; V270-F338 HydrophobicContact CG1-CE1 4.25Å; V270-F338 HydrophobicContact CG2-CD1 4.27Å; V270-F338 HydrophobicContact CG2-CE1 3.95Å; V270-F338 CarbonylContact O-C 3.59Å; V270-F338 WeakPolarHBondContact O-CA 3.19Å; A334-F338 HydrophobicContact CB-CE2 3.77Å; A334-F338 HydrophobicContact CB-CZ 3.44Å; A334-F338 VanDerWaalsContact CB-CZ 3.44Å; F338-F340 HydrophobicContact CB-CD2 4.23Å; F338-F340 HydrophobicContact CB-CE1 3.99Å; F338-F340 HydrophobicContact CB-CE2 3.65Å; F338-F340 HydrophobicContact CB-CZ 3.51Å; F338-F340 AromaticContact CD1-CE1 3.91Å; F338-F340 HydrophobicContact CD1-CE1 3.91Å; F338-F340 AromaticContact CD1-CZ 3.81Å; F338-F340 HydrophobicContact CD1-CZ 3.81Å; F338-F340 HydrophobicContact CD2-CZ 4.23Å; F338-F340 HydrophobicContact CG-CE1 4.12Å; F338-F340 HydrophobicContact CG-CE2 4.16Å; F338-F340 AromaticContact CG-CZ 3.59Å; F338-F340 HydrophobicContact CG-CZ 3.59Å; F338-L362 HydrophobicContact CD2-CD1 4.33Å; F338-N369 PolarHBondContact N-O 2.85Å; F338-F370 HydrophobicContact CB-CB 3.85Å; F338-F370 CarbonylContact O-C 3.46Å; F338-F370 VanDerWaalsContact O-CA 3.23Å; F338-F370 WeakPolarHBondContact O-CA 3.48Å; F338-E371 PolarHBondContact O-N 3.31Å
339	L	98.9	Very high	97.6	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	110	157	172.6	58	0	0	0	107.6	V270 I271 W272 V341 E371 V373 K421 F425	V270-L339 PolarHBondContact O-N 3.27Å; I271-L339 HydrophobicContact CD1-CD2 4.4Å; I271-L339 HydrophobicContact CG1-CB 4.25Å; I271-L339 HydrophobicContact CG1-CD2 4.41Å; I271-L339 HydrophobicContact CG2-CD2 4.34Å; W272-L339 PolarHBondContact N-O 3.34Å; L339-V341 HydrophobicContact CD1-CG2 4.39Å; L339-V341 HydrophobicContact CD2-CG2 4.36Å; L339-V341 HydrophobicContact CG-CG2 3.94Å; L339-E371 WeakPolarHBondContact CA-O 3.33Å; L339-E371 HydrophobicContact CD1-CB 4.06Å; L339-V373 HydrophobicContact CD1-CG1 4.3Å; L339-K421 HydrophobicContact CD1-CD 4.3Å; L339-K421 VanDerWaalsContact CD1-CE 3.43Å; L339-K421 HydrophobicContact CD2-CD 4.33Å; L339-K421 HydrophobicContact CD2-CG 4Å; L339-F425 HydrophobicContact CB-CD1 3.99Å; L339-F425 HydrophobicContact CB-CD2 3.76Å; L339-F425 HydrophobicContact CB-CE1 3.89Å; L339-F425 HydrophobicContact CB-CE2 3.67Å; L339-F425 HydrophobicContact CB-CG 3.92Å; L339-F425 HydrophobicContact CB-CZ 3.74Å; L339-F425 HydrophobicContact CD2-CB 4.01Å; L339-F425 HydrophobicContact CD2-CD2 4.32Å; L339-F425 HydrophobicContact CD2-CG 4.04Å
340	F	98.9	Very high	97.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	128	173.7	-59.2	-62	0	0	0	110.7	L258 W272 F338 M355 M358 V359 L362 F370 E371 S372 V373	L258-F340 HydrophobicContact CD2-CE1 4.01Å; W272-F340 HydrophobicContact CB-CD1 3.88Å; W272-F340 HydrophobicContact CB-CE1 4.31Å; W272-F340 HydrophobicContact CD2-CD1 4.17Å; W272-F340 HydrophobicContact CE3-CB 4.43Å; W272-F340 HydrophobicContact CE3-CD1 4.17Å; W272-F340 HydrophobicContact CG-CD1 4.11Å; F338-F340 HydrophobicContact CB-CD2 4.23Å; F338-F340 HydrophobicContact CB-CE1 3.99Å; F338-F340 HydrophobicContact CB-CE2 3.65Å; F338-F340 HydrophobicContact CB-CZ 3.51Å; F338-F340 AromaticContact CD1-CE1 3.91Å; F338-F340 HydrophobicContact CD1-CE1 3.91Å; F338-F340 AromaticContact CD1-CZ 3.81Å; F338-F340 HydrophobicContact CD1-CZ 3.81Å; F338-F340 HydrophobicContact CD2-CZ 4.23Å; F338-F340 HydrophobicContact CG-CE1 4.12Å; F338-F340 HydrophobicContact CG-CE2 4.16Å; F338-F340 AromaticContact CG-CZ 3.59Å; F338-F340 HydrophobicContact CG-CZ 3.59Å; F340-M355 HydrophobicContact CB-CG 3.68Å; F340-M355 HydrophobicContact CB-SD 3.88Å; F340-M355 HydrophobicContact CG-CG 4.4Å; F340-M358 HydrophobicContact CD1-CE 3.72Å; F340-M358 HydrophobicContact CE1-CE 3.82Å; F340-M358 HydrophobicContact CE1-SD 4.08Å; F340-M358 HydrophobicContact CG-CE 4.47Å; F340-M358 HydrophobicContact CZ-CB 4.44Å; F340-V359 HydrophobicContact CD2-CG2 4.07Å; F340-L362 HydrophobicContact CE2-CD1 3.65Å; F340-L362 HydrophobicContact CZ-CD1 3.91Å; F340-F370 HydrophobicContact CD2-CB 4.28Å; F340-F370 HydrophobicContact CD2-CD2 4.45Å; F340-F370 HydrophobicContact CE2-CB 3.87Å; F340-F370 HydrophobicContact CE2-CD2 4.46Å; F340-F370 HydrophobicContact CE2-CG 4.27Å; F340-E371 PolarHBondContact N-O 3.39Å; F340-S372 CarbonylContact O-C 3.56Å; F340-S372 VanDerWaalsContact O-CA 3.28Å; F340-S372 WeakPolarHBondContact O-CA 3.04Å; F340-V373 PolarHBondContact O-N 2.96Å
341	V	98.9	Very high	97.7	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	123.3	-179.6	-176.2	0	0	0	0	108.9	W272 I273 N274 L339 V373 Y375 L382 L418	W272-V341 WeakPolarHBondContact CZ3-O 3.38Å; W272-V341 PolarHBondContact O-N 3.23Å; I273-V341 HydrophobicContact CB-CB 4.44Å; I273-V341 HydrophobicContact CG1-CB 4.25Å; I273-V341 HydrophobicContact CG1-CG2 4.35Å; I273-V341 HydrophobicContact CG2-CB 4.28Å; I273-V341 HydrophobicContact CG2-CG1 4.17Å; N274-V341 PolarHBondContact N-O 3.46Å; N274-V341 PolarHBondContact OD1-O 3.1Å; L339-V341 HydrophobicContact CD1-CG2 4.39Å; L339-V341 HydrophobicContact CD2-CG2 4.36Å; L339-V341 HydrophobicContact CG-CG2 3.94Å; V341-V373 WeakPolarHBondContact CA-O 3.3Å; V341-V373 HydrophobicContact CB-CG1 4.22Å; V341-V373 HydrophobicContact CG1-CG1 4.1Å; V341-V373 HydrophobicContact CG2-CG1 3.81Å; V341-Y375 HydrophobicContact CG1-CD2 4.08Å; V341-Y375 HydrophobicContact CG1-CE2 3.72Å; V341-L382 HydrophobicContact CG1-CD1 3.93Å; V341-L418 HydrophobicContact CB-CD1 4.35Å; V341-L418 HydrophobicContact CG1-CD1 3.89Å; V341-L418 HydrophobicContact CG1-CD2 3.91Å; V341-L418 HydrophobicContact CG2-CD1 3.59Å
342	A	98.8	Very high	97.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.2	178.5	0	0	0	0	0	112.4	N274 K352 M355 V373 S374 Y375	N274-A342 VanDerWaalsContact OD1-CA 3.3Å; N274-A342 WeakPolarHBondContact OD1-CA 3.49Å; A342-K352 HydrophobicContact CB-CB 4.34Å; A342-K352 HydrophobicContact CB-CD 4.26Å; A342-M355 HydrophobicContact CB-CB 4.13Å; A342-M355 HydrophobicContact CB-CE 4.05Å; A342-M355 HydrophobicContact CB-SD 3.7Å; A342-V373 PolarHBondContact N-O 2.93Å; A342-S374 CarbonylContact O-C 3.52Å; A342-S374 WeakPolarHBondContact O-CA 3.38Å; A342-S374 WeakPolarHBondContact O-CB 3.26Å; A342-Y375 PolarHBondContact O-N 3.03Å
343	S	98.6	Very high	97.7	Very high	1 Å²	1	36 Å²	36	1%	0.007	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	130.1	165.9	-73.2	0	0	0	0	109.4	N274 A378 G379 L382	N274-S343 WeakPolarHBondContact ND2-CB 3.33Å; N274-S343 PolarHBondContact ND2-OG 3.07Å; N274-S343 PolarHBondContact OD1-N 2.94Å; S343-A378 WeakPolarHBondContact CB-O 3.32Å; S343-A378 WeakPolarHBondContact OG-CB 3.34Å; S343-G379 WeakPolarHBondContact CB-O 3.34Å; S343-G379 PolarHBondContact OG-O 2.9Å; S343-L382 WeakPolarHBondContact OG-CD1 3.41Å
344	E	98.5	Very high	97.8	Very high	82 Å²	82	29.1 Å²	29.1	38%	0.383	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-26.9	-177.8	-61.4	-172	-176	0	0	112.4	D346 S374 Y375	E344-D346 VanDerWaalsContact C-N 3.34Å; E344-S374 VanDerWaalsContact OE1-CB 3.27Å; E344-S374 WeakPolarHBondContact OE1-CB 3.39Å; E344-S374 PolarHBondContact OE1-OG 2.97Å; E344-Y375 PolarHBondContact N-O 2.9Å; E344-Y375 VanDerWaalsContact N-O 3.15Å
345	D	98.4	Very high	97.8	Very high	53 Å²	53	29.1 Å²	29.1	28%	0.283	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	34.8	172.9	-164.4	42.4	0	0	0	111.9	L347 A378 G405 G406	D345-L347 PolarHBondContact O-N 3.4Å; D345-A378 CarbonylContact C-O 3.56Å; D345-A378 WeakPolarHBondContact CA-O 3.45Å; D345-A378 WeakPolarHBondContact CB-O 3.32Å; D345-A378 PolarHBondContact N-O 3.13Å; D345-A378 VanDerWaalsContact N-O 3.13Å; D345-G405 WeakPolarHBondContact O-CA 3.35Å; D345-G406 PolarHBondContact O-N 2.81Å; D345-G406 WeakPolarHBondContact OD2-CA 3.35Å; D345-G406 PolarHBondContact OD2-N 2.98Å
346	D	98.5	Very high	98.1	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	14%	0.136	C	C	.	.			trans	-68.2	118.2	169.6	-168.8	-20.4	0	0	0	109.8	K313 E344 N348 W349 S351 H380	K313-D346 VanDerWaalsContact CD-O 3.31Å; K313-D346 WeakPolarHBondContact CD-O 3.43Å; K313-D346 WeakPolarHBondContact CE-O 3.4Å; K313-D346 PolarHBondContact NZ-O 3Å; E344-D346 VanDerWaalsContact C-N 3.34Å; D346-N348 VanDerWaalsContact OD1-CB 3.3Å; D346-N348 WeakPolarHBondContact OD1-CB 3.45Å; D346-N348 PolarHBondContact OD1-N 2.89Å; D346-W349 WeakPolarHBondContact CB-O 3.37Å; D346-W349 PolarHBondContact OD1-N 2.84Å; D346-S351 WeakPolarHBondContact OD2-CB 3.42Å; D346-S351 PolarHBondContact OD2-OG 2.73Å; D346-H380 VanDerWaalsContact CG-ND1 3.25Å; D346-H380 WeakPolarHBondContact OD1-CB 3.38Å; D346-H380 IonicContact OD1-CG 2.93Å; D346-H380 IonicContact OD1-ND1 3.98Å; D346-H380 PolarHBondContact OD1-ND1 2.78Å; D346-H380 IonicContact OD2-CE1 2.87Å; D346-H380 IonicContact OD2-CG 3.93Å; D346-H380 IonicContact OD2-ND1 3.26Å; D346-H380 PolarHBondContact OD2-ND1 2.85Å
347	L	97.8	Very high	98.1	Very high	30 Å²	30	28.2 Å²	28.2	16%	0.157	14%	0.143	C	C	.	.	S	Bend	trans	-100.3	-2.9	177.9	-67.5	-175.4	0	0	0	113.9	V311 T312 K313 D345 L403 W404	V311-L347 HydrophobicContact CG1-CB 4.5Å; V311-L347 HydrophobicContact CG1-CD2 4.22Å; T312-L347 PolarHBondContact N-O 2.94Å; K313-L347 WeakPolarHBondContact CA-O 3.4Å; K313-L347 HydrophobicContact CD-CD2 4.25Å; K313-L347 PolarHBondContact N-O 2.92Å; D345-L347 PolarHBondContact O-N 3.4Å; L347-L403 HydrophobicContact CB-CB 4.27Å; L347-L403 WeakPolarHBondContact CB-O 3.36Å; L347-L403 HydrophobicContact CD1-CB 3.67Å; L347-L403 HydrophobicContact CD1-CD1 4.01Å; L347-W404 PolarHBondContact N-O 2.8Å
348	N	95.9	Very high	98.2	Very high	10 Å²	10	22.2 Å²	22.2	5%	0.053	12%	0.12	C	C	.	.	S	Bend	trans	-76.5	-47.3	172	179.6	79.7	0	0	0	110.9	T312 K313 D346 H380 H395 W404	T312-N348 CarbonylContact C-O 3.48Å; T312-N348 VanDerWaalsContact C-O 3.32Å; T312-N348 PolarHBondContact OG1-O 2.81Å; T312-N348 VanDerWaalsContact OG1-O 3.08Å; K313-N348 WeakPolarHBondContact CA-O 3.3Å; K313-N348 PolarHBondContact N-O 2.98Å; D346-N348 VanDerWaalsContact OD1-CB 3.3Å; D346-N348 WeakPolarHBondContact OD1-CB 3.45Å; D346-N348 PolarHBondContact OD1-N 2.89Å; N348-H380 HydrophobicContact CB-CB 4.13Å; N348-H380 WeakPolarHBondContact CB-ND1 3.46Å; N348-H380 PolarHBondContact ND2-CE1 3.44Å; N348-H395 PolarHBondContact OD1-NE2 3.45Å; N348-W404 HydrophobicContact CB-CE3 4.1Å; N348-W404 HydrophobicContact CB-CZ3 4.12Å
349	W	96.4	Very high	98.1	Very high	10 Å²	10	22.8 Å²	22.8	4%	0.038	12%	0.124	C	C	.	.	S	Bend	trans	-163.6	175.3	175.7	55.2	26.5	0	0	0	111.3	K252 N274 G275 C276 V280 M316 D346 S351 Y354 H380	K252-W349 HydrophobicContact CB-CH2 4.4Å; N274-W349 WeakPolarHBondContact O-CZ2 3.42Å; N274-W349 PolarHBondContact O-NE1 3.1Å; G275-W349 VanDerWaalsContact C-CZ2 3.43Å; G275-W349 PolarHBondContact O-NE1 3.4Å; C276-W349 HydrophobicContact CB-CE3 4.42Å; C276-W349 HydrophobicContact CB-CH2 3.92Å; C276-W349 HydrophobicContact CB-CZ2 4.2Å; C276-W349 HydrophobicContact CB-CZ3 4.05Å; V280-W349 HydrophobicContact CB-CZ3 4.39Å; V280-W349 HydrophobicContact CG1-CZ3 4.18Å; V280-W349 HydrophobicContact CG2-CH2 4.5Å; V280-W349 HydrophobicContact CG2-CZ3 3.95Å; M316-W349 HydrophobicContact CG-CB 4.14Å; M316-W349 HydrophobicContact CG-CE3 4.02Å; M316-W349 HydrophobicContact SD-CE3 4.22Å; D346-W349 WeakPolarHBondContact CB-O 3.37Å; D346-W349 PolarHBondContact OD1-N 2.84Å; W349-S351 VanDerWaalsContact C-N 3.34Å; W349-S351 VanDerWaalsContact CD1-OG 3.24Å; W349-S351 PolarHBondContact NE1-OG 2.96Å; W349-S351 PolarHBondContact O-N 3.41Å; W349-Y354 HydrophobicContact CB-CE2 3.99Å; W349-Y354 HydrophobicContact CD2-CE2 4.15Å; W349-Y354 AromaticContact CG-CE2 3.87Å; W349-Y354 HydrophobicContact CG-CE2 3.87Å; W349-H380 AromaticContact CE2-CE1 3.99Å; W349-H380 AromaticContact NE1-CE1 3.56Å
350	D	97.3	Very high	98.1	Very high	64 Å²	64	26.8 Å²	26.8	34%	0.342	15%	0.145	S	C	.	.			trans	-83.8	74	-178.9	-161.4	-21.6	0	0	0	113	K352 A353 Y354	D350-K352 PolarHBondContact O-N 3.32Å; D350-K352 PolarHBondContact OD1-N 2.97Å; D350-A353 HydrophobicContact CB-CB 3.94Å; D350-A353 PolarHBondContact O-N 2.91Å; D350-A353 WeakPolarHBondContact OD1-CB 3.12Å; D350-A353 PolarHBondContact OD1-N 3.4Å; D350-A353 WeakPolarHBondContact OD2-CB 3.35Å; D350-Y354 WeakPolarHBondContact O-CD2 3.15Å; D350-Y354 PolarHBondContact O-N 3.01Å
351	S	98.3	Very high	98	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-55	-35.4	177.2	-73.7	0	0	0	0	113	N274 D346 W349 M355	N274-S351 VanDerWaalsContact C-OG 3.32Å; N274-S351 WeakPolarHBondContact CA-OG 3.14Å; N274-S351 WeakPolarHBondContact CB-OG 3.32Å; N274-S351 PolarHBondContact O-OG 2.61Å; D346-S351 WeakPolarHBondContact OD2-CB 3.42Å; D346-S351 PolarHBondContact OD2-OG 2.73Å; W349-S351 VanDerWaalsContact C-N 3.34Å; W349-S351 VanDerWaalsContact CD1-OG 3.24Å; W349-S351 PolarHBondContact NE1-OG 2.96Å; W349-S351 PolarHBondContact O-N 3.41Å; S351-M355 WeakPolarHBondContact O-CB 3.12Å; S351-M355 PolarHBondContact O-N 2.86Å
352	K	98.1	Very high	98	Very high	56 Å²	56	29.2 Å²	29.2	24%	0.243	15%	0.154	C	C	.	.	H	α-helix	trans	-70.3	-44.6	179.8	-178.4	66.3	-177.8	-173.4	0	111.3	A342 D350 M355 N356 S374	A342-K352 HydrophobicContact CB-CB 4.34Å; A342-K352 HydrophobicContact CB-CD 4.26Å; D350-K352 PolarHBondContact O-N 3.32Å; D350-K352 PolarHBondContact OD1-N 2.97Å; K352-M355 HydrophobicContact CD-CE 3.69Å; K352-M355 VanDerWaalsContact NZ-CE 3.35Å; K352-M355 PolarHBondContact O-N 3.41Å; K352-N356 VanDerWaalsContact O-CG 3.26Å; K352-N356 PolarHBondContact O-N 3.42Å; K352-S374 PolarHBondContact NZ-OG 3.02Å
353	A	98	Very high	98	Very high	42 Å²	42	35.3 Å²	35.3	35%	0.347	18%	0.181	S	C	.	.	H	α-helix	trans	-62.3	-43.4	175.4	0	0	0	0	0	111.6	D350 M355 N356 A357	D350-A353 HydrophobicContact CB-CB 3.94Å; D350-A353 PolarHBondContact O-N 2.91Å; D350-A353 WeakPolarHBondContact OD1-CB 3.12Å; D350-A353 PolarHBondContact OD1-N 3.4Å; D350-A353 WeakPolarHBondContact OD2-CB 3.35Å; A353-M355 PolarHBondContact O-N 2.84Å; A353-N356 PolarHBondContact O-N 2.86Å; A353-A357 WeakPolarHBondContact O-CB 3.49Å; A353-A357 PolarHBondContact O-N 3.39Å
354	Y	98.4	Very high	98	Very high	20 Å²	20	44.3 Å²	44.3	8%	0.078	21%	0.214	C	C	.	.	H	α-helix	trans	-61.6	-43.9	175.8	-62.5	-37	0	0	0	112.2	G275 C276 M316 P319 W349 D350 A357 M358	G275-Y354 WeakPolarHBondContact O-CD2 3.42Å; C276-Y354 HydrophobicContact CB-CD2 4.2Å; C276-Y354 HydrophobicContact CB-CE2 4.14Å; M316-Y354 VanDerWaalsContact CB-OH 3.24Å; M316-Y354 WeakPolarHBondContact CB-OH 3.46Å; P319-Y354 HydrophobicContact CG-CD1 4.18Å; P319-Y354 HydrophobicContact CG-CE1 3.79Å; W349-Y354 HydrophobicContact CB-CE2 3.99Å; W349-Y354 HydrophobicContact CD2-CE2 4.15Å; W349-Y354 AromaticContact CG-CE2 3.87Å; W349-Y354 HydrophobicContact CG-CE2 3.87Å; D350-Y354 WeakPolarHBondContact O-CD2 3.15Å; D350-Y354 PolarHBondContact O-N 3.01Å; Y354-A357 PolarHBondContact O-N 2.9Å; Y354-M358 VanDerWaalsContact O-CG 3.32Å; Y354-M358 WeakPolarHBondContact O-CG 3.47Å; Y354-M358 PolarHBondContact O-N 3.44Å
355	M	98.7	Very high	98	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-58.8	-48.6	174.7	178.5	-179.6	83.5	0	0	111.9	W272 F340 A342 S351 K352 A353 A357 M358 V359	W272-M355 HydrophobicContact CH2-CB 4.46Å; W272-M355 HydrophobicContact CZ3-CB 4.19Å; F340-M355 HydrophobicContact CB-CG 3.68Å; F340-M355 HydrophobicContact CB-SD 3.88Å; F340-M355 HydrophobicContact CG-CG 4.4Å; A342-M355 HydrophobicContact CB-CB 4.13Å; A342-M355 HydrophobicContact CB-CE 4.05Å; A342-M355 HydrophobicContact CB-SD 3.7Å; S351-M355 WeakPolarHBondContact O-CB 3.12Å; S351-M355 PolarHBondContact O-N 2.86Å; K352-M355 HydrophobicContact CD-CE 3.69Å; K352-M355 VanDerWaalsContact NZ-CE 3.35Å; K352-M355 PolarHBondContact O-N 3.41Å; A353-M355 PolarHBondContact O-N 2.84Å; M355-A357 PolarHBondContact O-N 3.44Å; M355-M358 PolarHBondContact O-N 3Å; M355-V359 HydrophobicContact CG-CG2 4.4Å; M355-V359 WeakPolarHBondContact O-CG2 3.45Å; M355-V359 PolarHBondContact O-N 3.24Å
356	N	98.4	Very high	98	Very high	69 Å²	69	45.7 Å²	45.7	37%	0.369	24%	0.237	S	C	.	.	H	α-helix	trans	-59.9	-46	179.6	-69.3	-12	0	0	0	111.1	K352 A353 M358 V359 D360	K352-N356 VanDerWaalsContact O-CG 3.26Å; K352-N356 PolarHBondContact O-N 3.42Å; A353-N356 PolarHBondContact O-N 2.86Å; N356-M358 VanDerWaalsContact C-N 3.31Å; N356-M358 PolarHBondContact O-N 3.24Å; N356-V359 PolarHBondContact O-N 3.28Å; N356-D360 WeakPolarHBondContact O-CB 3.38Å; N356-D360 PolarHBondContact O-N 2.79Å
357	A	97.6	Very high	97.9	Very high	23 Å²	23	48.5 Å²	48.5	19%	0.19	25%	0.249	C	C	.	.	H	α-helix	trans	-60.2	-39	178.1	0	0	0	0	0	112.8	L320 A353 Y354 M355 R361	L320-A357 HydrophobicContact CD1-CB 4.36Å; A353-A357 WeakPolarHBondContact O-CB 3.49Å; A353-A357 PolarHBondContact O-N 3.39Å; Y354-A357 PolarHBondContact O-N 2.9Å; M355-A357 PolarHBondContact O-N 3.44Å; A357-R361 WeakPolarHBondContact O-CB 3.15Å; A357-R361 PolarHBondContact O-N 3.43Å
358	M	98.2	Very high	97.9	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.02	28%	0.282	C	S	.	.	H	α-helix	trans	-67.7	-45.7	175	-71.7	-171.3	-61.4	0	0	112.3	L258 W272 S277 I331 F340 Y354 M355 N356 D360 R361 L362	L258-M358 HydrophobicContact CD1-SD 3.43Å; L258-M358 WeakPolarHBondContact CD1-SD 3.49Å; L258-M358 HydrophobicContact CD2-SD 4.28Å; L258-M358 HydrophobicContact CG-SD 4.48Å; W272-M358 HydrophobicContact CD2-CE 3.87Å; W272-M358 HydrophobicContact CE3-CE 4.11Å; W272-M358 HydrophobicContact CH2-CE 3.72Å; W272-M358 HydrophobicContact CZ2-CE 3.36Å; W272-M358 HydrophobicContact CZ2-SD 4.47Å; W272-M358 HydrophobicContact CZ3-CE 4.09Å; S277-M358 VanDerWaalsContact CB-CG 3.47Å; I331-M358 HydrophobicContact CD1-CB 3.47Å; I331-M358 VanDerWaalsContact CD1-CB 3.47Å; I331-M358 HydrophobicContact CD1-CG 3.71Å; I331-M358 HydrophobicContact CD1-SD 4.25Å; F340-M358 HydrophobicContact CD1-CE 3.72Å; F340-M358 HydrophobicContact CE1-CE 3.82Å; F340-M358 HydrophobicContact CE1-SD 4.08Å; F340-M358 HydrophobicContact CG-CE 4.47Å; F340-M358 HydrophobicContact CZ-CB 4.44Å; Y354-M358 VanDerWaalsContact O-CG 3.32Å; Y354-M358 WeakPolarHBondContact O-CG 3.47Å; Y354-M358 PolarHBondContact O-N 3.44Å; M355-M358 PolarHBondContact O-N 3Å; N356-M358 VanDerWaalsContact C-N 3.31Å; N356-M358 PolarHBondContact O-N 3.24Å; M358-D360 VanDerWaalsContact C-N 3.34Å; M358-D360 PolarHBondContact O-N 2.88Å; M358-R361 WeakPolarHBondContact O-CB 3.41Å; M358-R361 PolarHBondContact O-N 3.04Å; M358-L362 WeakPolarHBondContact O-CG 3.31Å; M358-L362 PolarHBondContact O-N 3.42Å
359	V	98.5	Very high	97.9	Very high	11 Å²	11	56.4 Å²	56.4	7%	0.067	29%	0.285	C	S	.	.	H	α-helix	trans	-58.1	-47.1	176.2	164.6	0	0	0	0	110.8	F340 M355 N356 R361 L362 K363 F370	F340-V359 HydrophobicContact CD2-CG2 4.07Å; M355-V359 HydrophobicContact CG-CG2 4.4Å; M355-V359 WeakPolarHBondContact O-CG2 3.45Å; M355-V359 PolarHBondContact O-N 3.24Å; N356-V359 PolarHBondContact O-N 3.28Å; V359-R361 VanDerWaalsContact C-N 3.31Å; V359-R361 PolarHBondContact O-N 3.27Å; V359-L362 PolarHBondContact O-N 3.06Å; V359-K363 HydrophobicContact CG1-CD 4.13Å; V359-K363 WeakPolarHBondContact O-CG 3.5Å; V359-K363 PolarHBondContact O-N 3.14Å; V359-F370 HydrophobicContact CB-CE2 4.21Å; V359-F370 HydrophobicContact CG1-CE2 3.65Å; V359-F370 HydrophobicContact CG1-CZ 3.88Å; V359-F370 HydrophobicContact CG2-CD2 4.08Å; V359-F370 HydrophobicContact CG2-CE2 3.85Å
360	D	98	Very high	98	Very high	84 Å²	84	57.9 Å²	57.9	45%	0.449	29%	0.292	S	S	.	.	H	α-helix	trans	-66.1	-35.2	179	-69.8	-19	0	0	0	112.2	N356 M358 R364	N356-D360 WeakPolarHBondContact O-CB 3.38Å; N356-D360 PolarHBondContact O-N 2.79Å; M358-D360 VanDerWaalsContact C-N 3.34Å; M358-D360 PolarHBondContact O-N 2.88Å; D360-R364 WeakPolarHBondContact O-CB 3.21Å; D360-R364 VanDerWaalsContact O-CG 3.31Å; D360-R364 WeakPolarHBondContact O-CG 3.32Å; D360-R364 PolarHBondContact O-N 2.96Å; D360-R364 PolarHBondContact O-NE 2.88Å
361	R	97.6	Very high	98.1	Very high	52 Å²	52	58.5 Å²	58.5	20%	0.196	29%	0.293	C	S	.	.	H	α-helix	trans	-64.3	-45.9	173.6	-175.4	173	-177.9	167.4	1.8	111.3	V329 E332 A357 M358 V359 R364 H365	V329-R361 PolarHBondContact O-NH1 3.08Å; E332-R361 VanDerWaalsContact CD-NH2 3.27Å; E332-R361 IonicContact OE1-CZ 3.68Å; E332-R361 IonicContact OE1-NE 3.03Å; E332-R361 IonicContact OE1-NH2 2.78Å; E332-R361 PolarHBondContact OE1-NH2 2.8Å; E332-R361 IonicContact OE2-CZ 3.78Å; E332-R361 IonicContact OE2-NE 3.3Å; E332-R361 PolarHBondContact OE2-NE 3.08Å; E332-R361 IonicContact OE2-NH2 3.27Å; E332-R361 PolarHBondContact OE2-NH2 2.98Å; A357-R361 WeakPolarHBondContact O-CB 3.15Å; A357-R361 PolarHBondContact O-N 3.43Å; M358-R361 WeakPolarHBondContact O-CB 3.41Å; M358-R361 PolarHBondContact O-N 3.04Å; V359-R361 VanDerWaalsContact C-N 3.31Å; V359-R361 PolarHBondContact O-N 3.27Å; R361-R364 PolarHBondContact O-N 2.97Å; R361-H365 PolarHBondContact O-N 2.95Å; R361-H365 PolarHBondContact O-ND1 3.42Å
362	L	98.6	Very high	98.1	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-62.6	-47.9	177.6	-72.2	174.4	0	0	0	111.5	I331 F338 F340 M358 V359 R364 H365 G366 K367 F370	I331-L362 HydrophobicContact CD1-CD1 4.04Å; I331-L362 HydrophobicContact CD1-CD2 4.09Å; I331-L362 HydrophobicContact CD1-CG 3.75Å; I331-L362 HydrophobicContact CG1-CD2 4.03Å; I331-L362 HydrophobicContact CG1-CG 4.22Å; F338-L362 HydrophobicContact CD2-CD1 4.33Å; F340-L362 HydrophobicContact CE2-CD1 3.65Å; F340-L362 HydrophobicContact CZ-CD1 3.91Å; M358-L362 WeakPolarHBondContact O-CG 3.31Å; M358-L362 PolarHBondContact O-N 3.42Å; V359-L362 PolarHBondContact O-N 3.06Å; L362-R364 VanDerWaalsContact C-N 3.34Å; L362-R364 PolarHBondContact O-N 3.09Å; L362-H365 CarbonylContact O-C 3.32Å; L362-H365 WeakPolarHBondContact O-CA 3.38Å; L362-H365 PolarHBondContact O-N 3.42Å; L362-G366 PolarHBondContact O-N 3.25Å; L362-K367 HydrophobicContact CB-CB 3.96Å; L362-K367 HydrophobicContact CD2-CB 4.03Å; L362-K367 HydrophobicContact CD2-CG 4.06Å; L362-K367 WeakPolarHBondContact O-CB 3.26Å; L362-K367 PolarHBondContact O-N 3.32Å; L362-F370 HydrophobicContact CB-CD1 3.89Å; L362-F370 HydrophobicContact CB-CE1 3.74Å; L362-F370 HydrophobicContact CD1-CB 4.1Å; L362-F370 HydrophobicContact CD1-CD1 3.6Å; L362-F370 HydrophobicContact CD1-CE1 4.26Å; L362-F370 HydrophobicContact CD1-CG 3.93Å; L362-F370 HydrophobicContact CG-CD1 4.38Å
363	K	98.4	Very high	98.1	Very high	128 Å²	128	60 Å²	60	56%	0.557	31%	0.309	S	S	*	.	H	α-helix	trans	-56.7	-44.8	177	-72.9	177.8	177.9	177	0	112.6	V359 H365 G366 F370	V359-K363 HydrophobicContact CG1-CD 4.13Å; V359-K363 WeakPolarHBondContact O-CG 3.5Å; V359-K363 PolarHBondContact O-N 3.14Å; K363-H365 PolarHBondContact O-N 2.83Å; K363-G366 PolarHBondContact O-N 3.27Å; K363-F370 HydrophobicContact CD-CZ 4.47Å; K363-F370 HydrophobicContact CG-CE1 4.27Å; K363-F370 HydrophobicContact CG-CZ 3.83Å
364	R	98.2	Very high	98.1	Very high	189 Å²	189	59.6 Å²	59.6	71%	0.713	30%	0.304	S	S	*	.	H	α-helix	trans	-62.2	-23.2	177.1	-77.7	-177.7	-69.1	149.1	-7.3	113.9	D360 R361 L362	D360-R364 WeakPolarHBondContact O-CB 3.21Å; D360-R364 VanDerWaalsContact O-CG 3.31Å; D360-R364 WeakPolarHBondContact O-CG 3.32Å; D360-R364 PolarHBondContact O-N 2.96Å; D360-R364 PolarHBondContact O-NE 2.88Å; R361-R364 PolarHBondContact O-N 2.97Å; L362-R364 VanDerWaalsContact C-N 3.34Å; L362-R364 PolarHBondContact O-N 3.09Å
365	H	98.3	Very high	98.1	Very high	100 Å²	100	59.7 Å²	59.7	46%	0.463	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	14.3	174.8	-67.5	84.5	0	0	0	112.9	E332 R361 L362 K363 K367	E332-H365 HydrophobicContact CB-CB 3.95Å; R361-H365 PolarHBondContact O-N 2.95Å; R361-H365 PolarHBondContact O-ND1 3.42Å; L362-H365 CarbonylContact O-C 3.32Å; L362-H365 WeakPolarHBondContact O-CA 3.38Å; L362-H365 PolarHBondContact O-N 3.42Å; K363-H365 PolarHBondContact O-N 2.83Å; H365-K367 VanDerWaalsContact C-N 3.27Å; H365-K367 HydrophobicContact CB-CG 4.33Å; H365-K367 PolarHBondContact O-N 3.18Å
366	G	98.1	Very high	98.1	Very high	65 Å²	65	63.8 Å²	63.8	67%	0.67	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	25.2	178	0	0	0	0	0	114	L362 K363	L362-G366 PolarHBondContact O-N 3.25Å; K363-G366 PolarHBondContact O-N 3.27Å
367	K	98.1	Very high	98	Very high	59 Å²	59	61.6 Å²	61.6	26%	0.257	32%	0.324	S	S	.	.			trans	-90.5	135.2	-179.9	-67.4	-73.2	-175.5	153.2	0	110.6	E332 A334 L362 H365 N369 F370	E332-K367 WeakPolarHBondContact O-CE 3.38Å; E332-K367 PolarHBondContact O-NZ 2.96Å; A334-K367 PolarHBondContact O-NZ 2.71Å; L362-K367 HydrophobicContact CB-CB 3.96Å; L362-K367 HydrophobicContact CD2-CB 4.03Å; L362-K367 HydrophobicContact CD2-CG 4.06Å; L362-K367 WeakPolarHBondContact O-CB 3.26Å; L362-K367 PolarHBondContact O-N 3.32Å; H365-K367 VanDerWaalsContact C-N 3.27Å; H365-K367 HydrophobicContact CB-CG 4.33Å; H365-K367 PolarHBondContact O-N 3.18Å; K367-N369 WeakPolarHBondContact CB-OD1 3.29Å; K367-F370 WeakPolarHBondContact O-CE1 3.28Å
368	E	96.6	Very high	98.1	Very high	182 Å²	182	60.5 Å²	60.5	85%	0.85	32%	0.315	S	S	*	.			trans	-123.1	5.2	177.2	-60.8	-177.8	167.3	0	0	112.4	F370	E368-F370 PolarHBondContact O-N 2.82Å
369	N	96.5	Very high	98.1	Very high	24 Å²	24	60.3 Å²	60.3	13%	0.128	31%	0.314	C	S	.	.			trans	-80.2	41.9	-177.9	59	-43.9	0	0	0	112.7	G336 R337 F338 K367	G336-N369 PolarHBondContact O-ND2 2.94Å; R337-N369 CarbonylContact C-O 3.45Å; R337-N369 VanDerWaalsContact CA-O 3.25Å; R337-N369 WeakPolarHBondContact CA-O 3.35Å; R337-N369 HydrophobicContact CG-CB 4.3Å; F338-N369 PolarHBondContact N-O 2.85Å; K367-N369 WeakPolarHBondContact CB-OD1 3.29Å
370	F	98.3	Very high	98	Very high	41 Å²	41	59.8 Å²	59.8	18%	0.18	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	152.1	178	69.5	-90.1	0	0	0	113.9	F338 F340 V359 L362 K363 K367 E368	F338-F370 HydrophobicContact CB-CB 3.85Å; F338-F370 CarbonylContact O-C 3.46Å; F338-F370 VanDerWaalsContact O-CA 3.23Å; F338-F370 WeakPolarHBondContact O-CA 3.48Å; F340-F370 HydrophobicContact CD2-CB 4.28Å; F340-F370 HydrophobicContact CD2-CD2 4.45Å; F340-F370 HydrophobicContact CE2-CB 3.87Å; F340-F370 HydrophobicContact CE2-CD2 4.46Å; F340-F370 HydrophobicContact CE2-CG 4.27Å; V359-F370 HydrophobicContact CB-CE2 4.21Å; V359-F370 HydrophobicContact CG1-CE2 3.65Å; V359-F370 HydrophobicContact CG1-CZ 3.88Å; V359-F370 HydrophobicContact CG2-CD2 4.08Å; V359-F370 HydrophobicContact CG2-CE2 3.85Å; L362-F370 HydrophobicContact CB-CD1 3.89Å; L362-F370 HydrophobicContact CB-CE1 3.74Å; L362-F370 HydrophobicContact CD1-CB 4.1Å; L362-F370 HydrophobicContact CD1-CD1 3.6Å; L362-F370 HydrophobicContact CD1-CE1 4.26Å; L362-F370 HydrophobicContact CD1-CG 3.93Å; L362-F370 HydrophobicContact CG-CD1 4.38Å; K363-F370 HydrophobicContact CD-CZ 4.47Å; K363-F370 HydrophobicContact CG-CE1 4.27Å; K363-F370 HydrophobicContact CG-CZ 3.83Å; K367-F370 WeakPolarHBondContact O-CE1 3.28Å; E368-F370 PolarHBondContact O-N 2.82Å
371	E	98.4	Very high	97.9	Very high	78 Å²	78	57.2 Å²	57.2	36%	0.364	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	154.3	164.1	-67.4	176.1	-129.9	0	0	109	F338 L339 F340 K421 H429	F338-E371 PolarHBondContact O-N 3.31Å; L339-E371 WeakPolarHBondContact CA-O 3.33Å; L339-E371 HydrophobicContact CD1-CB 4.06Å; F340-E371 PolarHBondContact N-O 3.39Å; E371-K421 IonicContact OE2-NZ 3.52Å; E371-K421 PolarHBondContact OE2-NZ 3.28Å; E371-H429 IonicContact OE1-NE2 2.74Å
372	S	98.4	Very high	97.9	Very high	61 Å²	61	54.9 Å²	54.9	43%	0.427	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	146.6	172.9	59.7	0	0	0	0	111.8	F340	F340-S372 CarbonylContact O-C 3.56Å; F340-S372 VanDerWaalsContact O-CA 3.28Å; F340-S372 WeakPolarHBondContact O-CA 3.04Å
373	V	98.6	Very high	97.6	Very high	27 Å²	27	55.9 Å²	55.9	16%	0.164	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	137.4	173.3	60.2	0	0	0	0	108.9	L339 F340 V341 A342 Y375 K421	L339-V373 HydrophobicContact CD1-CG1 4.3Å; F340-V373 PolarHBondContact O-N 2.96Å; V341-V373 WeakPolarHBondContact CA-O 3.3Å; V341-V373 HydrophobicContact CB-CG1 4.22Å; V341-V373 HydrophobicContact CG1-CG1 4.1Å; V341-V373 HydrophobicContact CG2-CG1 3.81Å; A342-V373 PolarHBondContact N-O 2.93Å; V373-Y375 HydrophobicContact CG1-CE2 4.1Å; V373-Y375 HydrophobicContact CG2-CE1 3.93Å; V373-Y375 HydrophobicContact CG2-CE2 4.08Å; V373-K421 HydrophobicContact CG1-CD 4.35Å
374	S	98.5	Very high	97.5	Very high	32 Å²	32	49.9 Å²	49.9	22%	0.224	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.5	166.9	60.4	0	0	0	0	112.2	A342 E344 K352	A342-S374 CarbonylContact O-C 3.52Å; A342-S374 WeakPolarHBondContact O-CA 3.38Å; A342-S374 WeakPolarHBondContact O-CB 3.26Å; E344-S374 VanDerWaalsContact OE1-CB 3.27Å; E344-S374 WeakPolarHBondContact OE1-CB 3.39Å; E344-S374 PolarHBondContact OE1-OG 2.97Å; K352-S374 PolarHBondContact NZ-OG 3.02Å
375	Y	98.8	Very high	97.5	Very high	22 Å²	22	41 Å²	41	9%	0.086	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	106.3	-178.3	-63.7	-69.7	0	0	0	110.2	V341 A342 E344 V373 G377 A378 L382 A414 H417 L418	V341-Y375 HydrophobicContact CG1-CD2 4.08Å; V341-Y375 HydrophobicContact CG1-CE2 3.72Å; A342-Y375 PolarHBondContact O-N 3.03Å; E344-Y375 PolarHBondContact N-O 2.9Å; E344-Y375 VanDerWaalsContact N-O 3.15Å; V373-Y375 HydrophobicContact CG1-CE2 4.1Å; V373-Y375 HydrophobicContact CG2-CE1 3.93Å; V373-Y375 HydrophobicContact CG2-CE2 4.08Å; Y375-G377 PolarHBondContact O-N 3.24Å; Y375-A378 PolarHBondContact O-N 3.16Å; Y375-L382 HydrophobicContact CD2-CD1 3.84Å; Y375-L382 HydrophobicContact CE2-CD1 4.28Å; Y375-A414 HydrophobicContact CD1-CB 3.68Å; Y375-A414 HydrophobicContact CD2-CB 4Å; Y375-A414 HydrophobicContact CE1-CB 4.28Å; Y375-A414 HydrophobicContact CG-CB 3.52Å; Y375-H417 HydrophobicContact CE1-CB 4.27Å; Y375-H417 AromaticContact CE1-ND1 3.42Å; Y375-H417 WeakPolarHBondContact CE1-ND1 3.31Å; Y375-H417 AromaticContact CZ-ND1 3.53Å; Y375-H417 PolarHBondContact OH-ND1 3.11Å; Y375-L418 HydrophobicContact CE2-CB 4.03Å; Y375-L418 HydrophobicContact CE2-CD1 4.42Å; Y375-L418 WeakPolarHBondContact OH-CA 3.46Å; Y375-L418 PolarHBondContact OH-N 2.77Å
376	P	98.1	Very high	97.4	Very high	89 Å²	89	37.1 Å²	37.1	58%	0.578	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	134	170.2	-23.9	34.4	0	0	0	110.9	A378	P376-A378 PolarHBondContact O-N 3Å
377	G	97	Very high	97.2	Very high	22 Å²	22	34.5 Å²	34.5	23%	0.227	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.3	9.9	179.9	0	0	0	0	0	114.8	Y375 G406 E407	Y375-G377 PolarHBondContact O-N 3.24Å; G377-G406 CarbonylContact O-C 3.6Å; G377-G406 WeakPolarHBondContact O-CA 3.32Å; G377-E407 PolarHBondContact O-N 3.14Å
378	A	98.6	Very high	97.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.18	C	C	.	.			trans	-87.2	152.5	165.3	0	0	0	0	0	110.7	S343 D345 Y375 P376 L382 A414	S343-A378 WeakPolarHBondContact CB-O 3.32Å; S343-A378 WeakPolarHBondContact OG-CB 3.34Å; D345-A378 CarbonylContact C-O 3.56Å; D345-A378 WeakPolarHBondContact CA-O 3.45Å; D345-A378 WeakPolarHBondContact CB-O 3.32Å; D345-A378 PolarHBondContact N-O 3.13Å; D345-A378 VanDerWaalsContact N-O 3.13Å; Y375-A378 PolarHBondContact O-N 3.16Å; P376-A378 PolarHBondContact O-N 3Å; A378-L382 HydrophobicContact CB-CD2 4.04Å; A378-A414 HydrophobicContact CB-CB 3.88Å
379	G	98.3	Very high	97.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.145	C	C	.	.			trans	-108.3	-173.1	179.5	0	0	0	0	0	112.4	N274 S343 Y381 W404 G405 H411	N274-G379 PolarHBondContact ND2-O 3.19Å; S343-G379 WeakPolarHBondContact CB-O 3.34Å; S343-G379 PolarHBondContact OG-O 2.9Å; G379-Y381 PolarHBondContact O-N 3.48Å; G379-W404 CarbonylContact C-O 3.55Å; G379-W404 WeakPolarHBondContact CA-O 3.36Å; G379-G405 VanDerWaalsContact CA-C 3.5Å; G379-G405 WeakPolarHBondContact CA-O 3.5Å; G379-H411 PolarHBondContact N-ND1 2.84Å
380	H	97.4	Very high	97	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.144	C	C	.	.	S	Bend	trans	-60.7	-43.7	-170.4	-168.6	62.7	0	0	0	114.8	S251 N274 D346 N348 W349 L382 W404	S251-H380 WeakPolarHBondContact CB-NE2 3.44Å; S251-H380 PolarHBondContact OG-CE1 3.26Å; S251-H380 PolarHBondContact OG-NE2 2.94Å; N274-H380 PolarHBondContact ND2-O 2.88Å; N274-H380 PolarHBondContact O-CE1 2.63Å; D346-H380 VanDerWaalsContact CG-ND1 3.25Å; D346-H380 WeakPolarHBondContact OD1-CB 3.38Å; D346-H380 IonicContact OD1-CG 2.93Å; D346-H380 IonicContact OD1-ND1 3.98Å; D346-H380 PolarHBondContact OD1-ND1 2.78Å; D346-H380 IonicContact OD2-CE1 2.87Å; D346-H380 IonicContact OD2-CG 3.93Å; D346-H380 IonicContact OD2-ND1 3.26Å; D346-H380 PolarHBondContact OD2-ND1 2.85Å; N348-H380 HydrophobicContact CB-CB 4.13Å; N348-H380 WeakPolarHBondContact CB-ND1 3.46Å; N348-H380 PolarHBondContact ND2-CE1 3.44Å; W349-H380 AromaticContact CE2-CE1 3.99Å; W349-H380 AromaticContact NE1-CE1 3.56Å; H380-L382 PolarHBondContact O-N 2.98Å; H380-W404 HydrophobicContact CB-CB 4.12Å; H380-W404 HydrophobicContact CB-CE3 4.03Å; H380-W404 AromaticContact CD2-CE3 3.79Å; H380-W404 AromaticContact CD2-CZ3 3.88Å; H380-W404 PolarHBondContact N-O 3.28Å
381	Y	95.4	Very high	96.8	Very high	31 Å²	31	25.8 Å²	25.8	12%	0.122	16%	0.155	C	C	.	.			trans	-91.3	78.4	-174.3	-73.3	-57.9	0	0	0	113.2	R115 L250 G379 E383 W404 H411	R115-Y381 VanDerWaalsContact NH1-CZ 3.3Å; R115-Y381 PolarHBondContact NH1-OH 3.36Å; L250-Y381 HydrophobicContact CD2-CD1 3.9Å; G379-Y381 PolarHBondContact O-N 3.48Å; Y381-E383 PolarHBondContact O-N 3.05Å; Y381-W404 HydrophobicContact CD2-CB 4.35Å; Y381-W404 AromaticContact CD2-CD1 3.97Å; Y381-W404 AromaticContact CD2-CD2 3.82Å; Y381-W404 HydrophobicContact CD2-CD2 3.82Å; Y381-W404 HydrophobicContact CD2-CE3 4.28Å; Y381-W404 AromaticContact CD2-CG 3.8Å; Y381-W404 HydrophobicContact CD2-CG 3.8Å; Y381-W404 AromaticContact CE2-CD1 3.99Å; Y381-W404 AromaticContact CE2-CD2 3.43Å; Y381-W404 HydrophobicContact CE2-CD2 3.43Å; Y381-W404 VanDerWaalsContact CE2-CD2 3.43Å; Y381-W404 AromaticContact CE2-CE2 3.32Å; Y381-W404 AromaticContact CE2-CE3 3.78Å; Y381-W404 HydrophobicContact CE2-CE3 3.78Å; Y381-W404 AromaticContact CE2-CG 3.89Å; Y381-W404 HydrophobicContact CE2-CG 3.89Å; Y381-W404 AromaticContact CE2-CH2 3.78Å; Y381-W404 HydrophobicContact CE2-CH2 3.78Å; Y381-W404 AromaticContact CE2-CZ2 3.53Å; Y381-W404 HydrophobicContact CE2-CZ2 3.53Å; Y381-W404 AromaticContact CE2-CZ3 3.93Å; Y381-W404 HydrophobicContact CE2-CZ3 3.93Å; Y381-W404 AromaticContact CE2-NE1 3.67Å; Y381-W404 AromaticContact CZ-CH2 3.81Å; Y381-W404 AromaticContact CZ-CZ2 3.98Å; Y381-W404 VanDerWaalsContact OH-CH2 3.23Å; Y381-W404 WeakPolarHBondContact OH-CH2 3.45Å; Y381-H411 PolarHBondContact O-CE1 3.4Å; Y381-H411 PolarHBondContact O-NE2 3.08Å
382	L	96.6	Very high	96.7	Very high	3 Å²	3	22.7 Å²	22.7	2%	0.016	14%	0.142	C	C	.	.			trans	-79.3	103.6	168.6	-70.9	176	0	0	0	110.5	I273 V341 S343 Y375 A378 H380 A414 E415 L418	I273-L382 HydrophobicContact CG2-CB 3.96Å; I273-L382 HydrophobicContact CG2-CD1 4.28Å; V341-L382 HydrophobicContact CG1-CD1 3.93Å; S343-L382 WeakPolarHBondContact OG-CD1 3.41Å; Y375-L382 HydrophobicContact CD2-CD1 3.84Å; Y375-L382 HydrophobicContact CE2-CD1 4.28Å; A378-L382 HydrophobicContact CB-CD2 4.04Å; H380-L382 PolarHBondContact O-N 2.98Å; L382-A414 HydrophobicContact CD2-CB 3.86Å; L382-E415 HydrophobicContact CD2-CG 3.98Å; L382-L418 HydrophobicContact CB-CD2 3.8Å; L382-L418 HydrophobicContact CD1-CD2 3.93Å; L382-L418 HydrophobicContact CG-CD2 4.44Å
383	E	93.4	Very high	96.6	Very high	20 Å²	20	20.1 Å²	20.1	9%	0.093	12%	0.124	C	C	.	.			trans	-111	174.1	-173.3	-67.9	-75.4	168.5	0	0	111.7	Y183 K192 L250 Y381 E415	Y183-E383 WeakPolarHBondContact CE2-OE1 3.31Å; Y183-E383 VanDerWaalsContact CZ-OE1 3.23Å; Y183-E383 PolarHBondContact OH-OE1 3.2Å; K192-E383 WeakPolarHBondContact CE-OE2 3.41Å; K192-E383 IonicContact NZ-OE2 2.64Å; K192-E383 PolarHBondContact NZ-OE2 2.64Å; L250-E383 WeakPolarHBondContact CD2-OE1 3.19Å; Y381-E383 PolarHBondContact O-N 3.05Å; E383-E415 WeakPolarHBondContact CB-OE1 3.47Å; E383-E415 PolarHBondContact N-OE1 2.9Å; E383-E415 VanDerWaalsContact N-OE1 3.07Å; E383-E415 WeakPolarHBondContact O-CB 3.27Å; E383-E415 WeakPolarHBondContact O-CG 3.38Å
384	P	96.7	Very high	96.3	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.013	14%	0.142	C	C	.	.	S	Bend	trans	-54.8	140.8	164.2	-24.5	34.5	0	0	0	110.9	K192 R193 L196 W419	K192-P384 HydrophobicContact CG-CG 4.37Å; R193-P384 HydrophobicContact CB-CG 4.11Å; R193-P384 HydrophobicContact CG-CG 4.43Å; L196-P384 HydrophobicContact CD1-CB 3.55Å; L196-P384 HydrophobicContact CD1-CG 4.03Å; P384-W419 HydrophobicContact CB-CD2 4.45Å; P384-W419 HydrophobicContact CB-CE3 4.32Å; P384-W419 HydrophobicContact CB-CH2 4.31Å; P384-W419 HydrophobicContact CB-CZ2 4.47Å; P384-W419 HydrophobicContact CB-CZ3 4.27Å; P384-W419 HydrophobicContact CG-CE3 4.27Å; P384-W419 HydrophobicContact CG-CH2 3.97Å; P384-W419 HydrophobicContact CG-CZ3 3.82Å
385	P	96.9	Very high	95.9	Very high	3 Å²	3	25 Å²	25	2%	0.019	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	167.3	-162.2	27.8	-36.4	0	0	0	113.8	F38 D39 G387 E415 V416 W419	F38-P385 WeakPolarHBondContact CE1-O 3.32Å; D39-P385 HydrophobicContact CB-CG 3.9Å; P385-G387 VanDerWaalsContact C-N 3.25Å; P385-G387 PolarHBondContact O-N 2.96Å; P385-E415 HydrophobicContact CB-CB 4.34Å; P385-V416 HydrophobicContact CB-CG2 3.69Å; P385-W419 HydrophobicContact CG-CB 4.27Å; P385-W419 HydrophobicContact CG-CG 4.24Å
386	F	96	Very high	95.2	Very high	18 Å²	18	27.5 Å²	27.5	8%	0.079	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	11	172.3	-45.1	-50.3	0	0	0	116	D39 P41 M101 L104 V416	D39-F386 WeakPolarHBondContact O-CE2 3.34Å; P41-F386 HydrophobicContact CB-CE2 4.32Å; P41-F386 HydrophobicContact CB-CZ 4.19Å; M101-F386 HydrophobicContact CB-CD1 3.87Å; M101-F386 HydrophobicContact CB-CE1 3.99Å; M101-F386 HydrophobicContact CE-CB 3.96Å; M101-F386 HydrophobicContact CE-CD1 3.62Å; M101-F386 HydrophobicContact CE-CD2 3.8Å; M101-F386 HydrophobicContact CE-CE1 4.02Å; M101-F386 HydrophobicContact CE-CE2 4.17Å; M101-F386 HydrophobicContact CE-CG 3.51Å; M101-F386 HydrophobicContact CE-CZ 4.27Å; M101-F386 HydrophobicContact CG-CD1 3.87Å; M101-F386 HydrophobicContact CG-CE1 3.63Å; M101-F386 HydrophobicContact CG-CZ 4.25Å; L104-F386 HydrophobicContact CD1-CB 4.42Å; F386-V416 HydrophobicContact CE1-CG2 3.72Å; F386-V416 HydrophobicContact CZ-CG2 3.98Å
387	G	95.3	Very high	94.5	Very high	11 Å²	11	27.3 Å²	27.3	11%	0.113	16%	0.162	C	C	.	.	S	Bend	trans	-73.6	159.7	160.9	0	0	0	0	0	112	W105 P385 Y389	W105-G387 WeakPolarHBondContact CA-O 3.3Å; P385-G387 VanDerWaalsContact C-N 3.25Å; P385-G387 PolarHBondContact O-N 2.96Å; G387-Y389 PolarHBondContact O-N 2.64Å
388	P	96.8	Very high	93.9	Very high	14 Å²	14	27.6 Å²	27.6	9%	0.091	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-58.2	129.5	169.9	-23.6	34.2	0	0	0	111.8	F69 M107 F116	F69-P388 HydrophobicContact CD1-CB 4.07Å; F69-P388 HydrophobicContact CD1-CG 4.21Å; F69-P388 HydrophobicContact CE1-CB 4.4Å; M107-P388 HydrophobicContact CB-CB 4.13Å; M107-P388 HydrophobicContact CB-CG 4.07Å; M107-P388 HydrophobicContact CE-CG 4.05Å; F116-P388 HydrophobicContact CB-CB 4.07Å; F116-P388 HydrophobicContact CB-CG 3.82Å; F116-P388 HydrophobicContact CD1-CG 4.13Å; F116-P388 HydrophobicContact CD2-CG 3.84Å; F116-P388 HydrophobicContact CG-CB 4.43Å; F116-P388 HydrophobicContact CG-CG 3.64Å
389	Y	96.3	Very high	93.4	Very high	29 Å²	29	29.6 Å²	29.6	11%	0.114	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-64.1	136.5	172.6	165.5	-100.2	0	0	0	110.6	W105 G387 P391 G405 G406 P408 H411	W105-Y389 PolarHBondContact O-N 2.84Å; G387-Y389 PolarHBondContact O-N 2.64Å; Y389-P391 HydrophobicContact CE1-CB 3.73Å; Y389-P391 HydrophobicContact CE1-CG 4.07Å; Y389-P391 WeakPolarHBondContact OH-CA 3.15Å; Y389-P391 WeakPolarHBondContact OH-CB 3.24Å; Y389-G405 PolarHBondContact OH-O 3.45Å; Y389-G406 PolarHBondContact OH-O 3.31Å; Y389-P408 HydrophobicContact CD1-CB 3.8Å; Y389-P408 HydrophobicContact CD1-CG 3.6Å; Y389-P408 HydrophobicContact CE1-CB 4.31Å; Y389-P408 HydrophobicContact CE1-CG 3.69Å; Y389-P408 HydrophobicContact CG-CB 4.08Å; Y389-P408 HydrophobicContact CG-CG 4.34Å; Y389-H411 HydrophobicContact CD2-CB 3.88Å; Y389-H411 AromaticContact CD2-CD2 3.99Å; Y389-H411 AromaticContact CD2-CG 3.66Å; Y389-H411 AromaticContact CD2-ND1 3.93Å; Y389-H411 HydrophobicContact CE2-CB 4.02Å; Y389-H411 AromaticContact CE2-CG 3.81Å; Y389-H411 AromaticContact CE2-ND1 3.66Å
390	C	94	Very high	93.1	Very high	18 Å²	18	32.3 Å²	32.3	12%	0.122	20%	0.196	C	C	.	.			trans	-121.7	100	-175.2	178.8	0	0	0	0	111.3	R115 S392	R115-C390 HydrophobicContact CB-CB 4.46Å; R115-C390 VanDerWaalsContact CB-SG 3.57Å; R115-C390 HydrophobicContact CG-CB 3.97Å; C390-S392 VanDerWaalsContact C-N 3.3Å; C390-S392 PolarHBondContact O-N 2.83Å; C390-S392 PolarHBondContact SG-O 2.74Å
391	P	94.3	Very high	93.1	Very high	62 Å²	62	33.9 Å²	33.9	40%	0.403	21%	0.206	S	C	.	.	S	Bend	trans	-71.2	-26.4	180	26.8	-32.9	0	0	0	113.1	Y389 L403 W404	Y389-P391 HydrophobicContact CE1-CB 3.73Å; Y389-P391 HydrophobicContact CE1-CG 4.07Å; Y389-P391 WeakPolarHBondContact OH-CA 3.15Å; Y389-P391 WeakPolarHBondContact OH-CB 3.24Å; P391-L403 WeakPolarHBondContact O-CA 3.39Å; P391-W404 PolarHBondContact O-N 2.91Å
392	S	96.3	Very high	93.1	Very high	13 Å²	13	32.4 Å²	32.4	9%	0.091	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	148.7	-176.2	57.1	0	0	0	0	112.6	H113 C390 V402 W404	H113-S392 CarbonylContact C-O 3.5Å; H113-S392 WeakPolarHBondContact CA-O 3.47Å; H113-S392 WeakPolarHBondContact ND1-CB 3.17Å; H113-S392 PolarHBondContact ND1-OG 2.6Å; C390-S392 VanDerWaalsContact C-N 3.3Å; C390-S392 PolarHBondContact O-N 2.83Å; C390-S392 PolarHBondContact SG-O 2.74Å; S392-V402 WeakPolarHBondContact CA-O 3.37Å; S392-V402 WeakPolarHBondContact CB-O 3.36Å; S392-W404 VanDerWaalsContact CA-CD1 3.48Å
393	S	95.1	Very high	93.2	Very high	6 Å²	6	34 Å²	34	4%	0.042	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.4	171.6	172.2	68.8	0	0	0	0	111.9	H113 H395 P401 V402 W404	H113-S393 WeakPolarHBondContact O-CA 3.19Å; S393-H395 PolarHBondContact O-N 3.1Å; S393-P401 WeakPolarHBondContact O-CA 3.33Å; S393-V402 PolarHBondContact N-O 3.06Å; S393-V402 VanDerWaalsContact N-O 3.14Å; S393-V402 PolarHBondContact O-N 2.8Å; S393-W404 WeakPolarHBondContact OG-CZ2 3.41Å; S393-W404 PolarHBondContact OG-NE1 2.71Å
394	F	92.6	Very high	93.4	Very high	126 Å²	126	33.2 Å²	33.2	55%	0.553	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-51.7	134.6	172.2	-176.3	-94.2	0	0	0	112.3	A396 G399	F394-A396 HydrophobicContact CE1-CB 4.44Å; F394-G399 WeakPolarHBondContact CE2-O 3.32Å
395	H	90.3	Very high	93.4	Very high	36 Å²	36	33.4 Å²	33.4	17%	0.167	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123	174.2	-176.6	-76.4	0	0	0	110.1	N348 S393 V397 T398 G399 V400 V402 W404	N348-H395 PolarHBondContact OD1-NE2 3.45Å; S393-H395 PolarHBondContact O-N 3.1Å; H395-V397 VanDerWaalsContact C-N 3.29Å; H395-V397 WeakPolarHBondContact CE1-CB 3.32Å; H395-V397 VanDerWaalsContact CE1-CG2 3.48Å; H395-V397 WeakPolarHBondContact CE1-CG2 3.41Å; H395-V397 PolarHBondContact ND1-N 2.71Å; H395-V397 PolarHBondContact O-N 3.35Å; H395-T398 WeakPolarHBondContact CB-OG1 3.31Å; H395-T398 PolarHBondContact ND1-N 3.15Å; H395-T398 PolarHBondContact O-N 3.13Å; H395-T398 PolarHBondContact O-OG1 3.28Å; H395-G399 PolarHBondContact O-N 3.49Å; H395-V400 PolarHBondContact N-O 2.77Å; H395-V402 HydrophobicContact CB-CB 4.26Å; H395-V402 HydrophobicContact CB-CG1 3.59Å; H395-V402 HydrophobicContact CB-CG2 3.67Å; H395-W404 HydrophobicContact CB-CH2 4.19Å; H395-W404 HydrophobicContact CB-CZ2 4.45Å; H395-W404 AromaticContact CD2-CH2 3.39Å; H395-W404 WeakPolarHBondContact CD2-CH2 3.43Å; H395-W404 AromaticContact CD2-CZ3 3.81Å
396	A	84.1	Confident	93.5	Very high	75 Å²	75	33.5 Å²	33.5	62%	0.62	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-32.9	-170.8	0	0	0	0	0	114	F394	F394-A396 HydrophobicContact CE1-CB 4.44Å
397	V	82.3	Confident	93.5	Very high	85 Å²	85	38.5 Å²	38.5	52%	0.515	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-34.2	-179.4	-172.9	0	0	0	0	112.2	F297 H395	F297-V397 HydrophobicContact CE1-CG1 3.94Å; F297-V397 HydrophobicContact CE2-CG1 4.16Å; F297-V397 HydrophobicContact CZ-CG1 3.48Å; F297-V397 VanDerWaalsContact CZ-CG1 3.48Å; H395-V397 VanDerWaalsContact C-N 3.29Å; H395-V397 WeakPolarHBondContact CE1-CB 3.32Å; H395-V397 VanDerWaalsContact CE1-CG2 3.48Å; H395-V397 WeakPolarHBondContact CE1-CG2 3.41Å; H395-V397 PolarHBondContact ND1-N 2.71Å; H395-V397 PolarHBondContact O-N 3.35Å
398	T	85	Confident	93.6	Very high	27 Å²	27	39.3 Å²	39.3	17%	0.166	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-19.2	-178.6	61.5	0	0	0	0	111.6	M299 T312 H395 V400 V402	M299-T398 HydrophobicContact CE-CG2 3.93Å; M299-T398 HydrophobicContact SD-CG2 4.5Å; T312-T398 HydrophobicContact CG2-CG2 3.88Å; H395-T398 WeakPolarHBondContact CB-OG1 3.31Å; H395-T398 PolarHBondContact ND1-N 3.15Å; H395-T398 PolarHBondContact O-N 3.13Å; H395-T398 PolarHBondContact O-OG1 3.28Å; T398-V400 PolarHBondContact O-N 2.86Å; T398-V400 PolarHBondContact OG1-N 2.74Å; T398-V400 PolarHBondContact OG1-O 3.43Å; T398-V402 HydrophobicContact CG2-CG1 4.12Å
399	G	88.9	Confident	93.5	Very high	42 Å²	42	44.6 Å²	44.6	43%	0.433	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	8.2	-177.1	0	0	0	0	0	113.9	F394 H395	F394-G399 WeakPolarHBondContact CE2-O 3.32Å; H395-G399 PolarHBondContact O-N 3.49Å
400	V	92.3	Very high	93.6	Very high	58 Å²	58	45 Å²	45	35%	0.352	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	167.5	-176.9	-62.2	0	0	0	0	110.7	L310 H395 T398	L310-V400 HydrophobicContact CD1-CG2 3.46Å; L310-V400 VanDerWaalsContact CD1-CG2 3.46Å; L310-V400 HydrophobicContact CG-CG2 3.89Å; H395-V400 PolarHBondContact N-O 2.77Å; T398-V400 PolarHBondContact O-N 2.86Å; T398-V400 PolarHBondContact OG1-N 2.74Å; T398-V400 PolarHBondContact OG1-O 3.43Å
401	P	95.8	Very high	93.9	Very high	33 Å²	33	44.4 Å²	44.4	21%	0.214	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	141.7	172	-27	37.8	0	0	0	113.7	H113 A309 L310 S393	H113-P401 HydrophobicContact CB-CB 3.75Å; H113-P401 HydrophobicContact CB-CG 3.8Å; A309-P401 VanDerWaalsContact CA-O 3.32Å; A309-P401 WeakPolarHBondContact CA-O 3.43Å; A309-P401 HydrophobicContact CB-CB 4.04Å; L310-P401 PolarHBondContact N-O 3.29Å; S393-P401 WeakPolarHBondContact O-CA 3.33Å
402	V	96.8	Very high	94	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	157.9	171.1	-52.4	0	0	0	0	110.4	L310 T312 S392 S393 H395 T398 W404	L310-V402 HydrophobicContact CB-CG1 4.33Å; L310-V402 CarbonylContact O-C 3.33Å; L310-V402 WeakPolarHBondContact O-CA 3.27Å; L310-V402 WeakPolarHBondContact O-CB 3.41Å; T312-V402 HydrophobicContact CG2-CB 4.34Å; T312-V402 HydrophobicContact CG2-CG1 3.76Å; S392-V402 WeakPolarHBondContact CA-O 3.37Å; S392-V402 WeakPolarHBondContact CB-O 3.36Å; S393-V402 PolarHBondContact N-O 3.06Å; S393-V402 VanDerWaalsContact N-O 3.14Å; S393-V402 PolarHBondContact O-N 2.8Å; H395-V402 HydrophobicContact CB-CB 4.26Å; H395-V402 HydrophobicContact CB-CG1 3.59Å; H395-V402 HydrophobicContact CB-CG2 3.67Å; T398-V402 HydrophobicContact CG2-CG1 4.12Å; V402-W404 HydrophobicContact CG2-CD2 4.03Å; V402-W404 HydrophobicContact CG2-CE3 3.95Å; V402-W404 HydrophobicContact CG2-CH2 3.52Å; V402-W404 HydrophobicContact CG2-CZ2 3.49Å; V402-W404 VanDerWaalsContact CG2-CZ2 3.49Å; V402-W404 HydrophobicContact CG2-CZ3 3.71Å
403	L	97.6	Very high	94.1	Very high	37 Å²	37	44.1 Å²	44.1	19%	0.194	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	138.7	170.2	-60.5	-168.2	0	0	0	110.6	T305 A309 L310 V311 L347 P391	T305-L403 HydrophobicContact CG2-CD1 3.88Å; T305-L403 HydrophobicContact CG2-CG 4.4Å; A309-L403 HydrophobicContact CB-CD2 3.72Å; A309-L403 HydrophobicContact CB-CG 4.19Å; L310-L403 PolarHBondContact O-N 3Å; V311-L403 HydrophobicContact CG2-CB 4.44Å; V311-L403 HydrophobicContact CG2-CD1 3.91Å; V311-L403 HydrophobicContact CG2-CG 4.33Å; L347-L403 HydrophobicContact CB-CB 4.27Å; L347-L403 WeakPolarHBondContact CB-O 3.36Å; L347-L403 HydrophobicContact CD1-CB 3.67Å; L347-L403 HydrophobicContact CD1-CD1 4.01Å; P391-L403 WeakPolarHBondContact O-CA 3.39Å
404	W	97.4	Very high	94.3	Very high	3 Å²	3	44 Å²	44	1%	0.011	26%	0.264	C	S	.	.			trans	-101.9	-16.8	176.4	-54.7	119.3	0	0	0	112.8	L347 N348 G379 H380 Y381 P391 S392 S393 H395 V402	L347-W404 PolarHBondContact N-O 2.8Å; N348-W404 HydrophobicContact CB-CE3 4.1Å; N348-W404 HydrophobicContact CB-CZ3 4.12Å; G379-W404 CarbonylContact C-O 3.55Å; G379-W404 WeakPolarHBondContact CA-O 3.36Å; H380-W404 HydrophobicContact CB-CB 4.12Å; H380-W404 HydrophobicContact CB-CE3 4.03Å; H380-W404 AromaticContact CD2-CE3 3.79Å; H380-W404 AromaticContact CD2-CZ3 3.88Å; H380-W404 PolarHBondContact N-O 3.28Å; Y381-W404 HydrophobicContact CD2-CB 4.35Å; Y381-W404 AromaticContact CD2-CD1 3.97Å; Y381-W404 AromaticContact CD2-CD2 3.82Å; Y381-W404 HydrophobicContact CD2-CD2 3.82Å; Y381-W404 HydrophobicContact CD2-CE3 4.28Å; Y381-W404 AromaticContact CD2-CG 3.8Å; Y381-W404 HydrophobicContact CD2-CG 3.8Å; Y381-W404 AromaticContact CE2-CD1 3.99Å; Y381-W404 AromaticContact CE2-CD2 3.43Å; Y381-W404 HydrophobicContact CE2-CD2 3.43Å; Y381-W404 VanDerWaalsContact CE2-CD2 3.43Å; Y381-W404 AromaticContact CE2-CE2 3.32Å; Y381-W404 AromaticContact CE2-CE3 3.78Å; Y381-W404 HydrophobicContact CE2-CE3 3.78Å; Y381-W404 AromaticContact CE2-CG 3.89Å; Y381-W404 HydrophobicContact CE2-CG 3.89Å; Y381-W404 AromaticContact CE2-CH2 3.78Å; Y381-W404 HydrophobicContact CE2-CH2 3.78Å; Y381-W404 AromaticContact CE2-CZ2 3.53Å; Y381-W404 HydrophobicContact CE2-CZ2 3.53Å; Y381-W404 AromaticContact CE2-CZ3 3.93Å; Y381-W404 HydrophobicContact CE2-CZ3 3.93Å; Y381-W404 AromaticContact CE2-NE1 3.67Å; Y381-W404 AromaticContact CZ-CH2 3.81Å; Y381-W404 AromaticContact CZ-CZ2 3.98Å; Y381-W404 VanDerWaalsContact OH-CH2 3.23Å; Y381-W404 WeakPolarHBondContact OH-CH2 3.45Å; P391-W404 PolarHBondContact O-N 2.91Å; S392-W404 VanDerWaalsContact CA-CD1 3.48Å; S393-W404 WeakPolarHBondContact OG-CZ2 3.41Å; S393-W404 PolarHBondContact OG-NE1 2.71Å; H395-W404 HydrophobicContact CB-CH2 4.19Å; H395-W404 HydrophobicContact CB-CZ2 4.45Å; H395-W404 AromaticContact CD2-CH2 3.39Å; H395-W404 WeakPolarHBondContact CD2-CH2 3.43Å; H395-W404 AromaticContact CD2-CZ3 3.81Å; V402-W404 HydrophobicContact CG2-CD2 4.03Å; V402-W404 HydrophobicContact CG2-CE3 3.95Å; V402-W404 HydrophobicContact CG2-CH2 3.52Å; V402-W404 HydrophobicContact CG2-CZ2 3.49Å; V402-W404 VanDerWaalsContact CG2-CZ2 3.49Å; V402-W404 HydrophobicContact CG2-CZ3 3.71Å
405	G	97.8	Very high	94.5	Very high	6 Å²	6	38.6 Å²	38.6	6%	0.062	24%	0.24	C	C	.	.			trans	75.5	-169.3	-179.2	0	0	0	0	0	114.4	D345 G379 Y389	D345-G405 WeakPolarHBondContact O-CA 3.35Å; G379-G405 VanDerWaalsContact CA-C 3.5Å; G379-G405 WeakPolarHBondContact CA-O 3.5Å; Y389-G405 PolarHBondContact OH-O 3.45Å
406	G	97.8	Very high	94.9	Very high	5 Å²	5	39.9 Å²	39.9	5%	0.052	25%	0.251	C	S	.	.			trans	85.1	157.2	-174.4	0	0	0	0	0	113.8	D345 G377 Y389	D345-G406 PolarHBondContact O-N 2.81Å; D345-G406 WeakPolarHBondContact OD2-CA 3.35Å; D345-G406 PolarHBondContact OD2-N 2.98Å; G377-G406 CarbonylContact O-C 3.6Å; G377-G406 WeakPolarHBondContact O-CA 3.32Å; Y389-G406 PolarHBondContact OH-O 3.31Å
407	E	97.4	Very high	95.6	Very high	123 Å²	123	39.9 Å²	39.9	58%	0.575	24%	0.238	S	C	*	.			trans	-101.7	131.5	171.1	-68.8	-58.9	146	0	0	108.9	G377 K409 A410 H411	G377-E407 PolarHBondContact O-N 3.14Å; E407-K409 VanDerWaalsContact C-N 3.33Å; E407-K409 PolarHBondContact O-N 3.03Å; E407-K409 VanDerWaalsContact O-N 3.1Å; E407-A410 HydrophobicContact CB-CB 4.23Å; E407-A410 PolarHBondContact O-N 2.81Å; E407-H411 VanDerWaalsContact O-CB 3.24Å; E407-H411 WeakPolarHBondContact O-CB 3.37Å; E407-H411 PolarHBondContact O-N 2.83Å
408	P	96.2	Very high	96.4	Very high	28 Å²	28	36 Å²	36	18%	0.182	21%	0.214	C	C	.	.	H	α-helix	trans	-48.6	-49.1	-168.7	-26.8	28.6	0	0	0	114.5	W105 Y389 T412	W105-P408 HydrophobicContact CE3-CB 3.86Å; W105-P408 HydrophobicContact CH2-CB 4.38Å; W105-P408 HydrophobicContact CZ3-CB 3.44Å; W105-P408 VanDerWaalsContact CZ3-CB 3.44Å; Y389-P408 HydrophobicContact CD1-CB 3.8Å; Y389-P408 HydrophobicContact CD1-CG 3.6Å; Y389-P408 HydrophobicContact CE1-CB 4.31Å; Y389-P408 HydrophobicContact CE1-CG 3.69Å; Y389-P408 HydrophobicContact CG-CB 4.08Å; Y389-P408 HydrophobicContact CG-CG 4.34Å; P408-T412 PolarHBondContact O-N 3.36Å; P408-T412 PolarHBondContact O-OG1 2.96Å; P408-T412 VanDerWaalsContact O-OG1 3.1Å
409	K	96.4	Very high	97.1	Very high	125 Å²	125	35.2 Å²	35.2	54%	0.543	21%	0.208	S	C	.	.	H	α-helix	trans	-66.2	-46.4	-179.3	177.9	172.5	173.6	160.9	0	112.5	E99 E407 A413	E99-K409 WeakPolarHBondContact OE1-CD 3.43Å; E99-K409 WeakPolarHBondContact OE1-CE 3.44Å; E99-K409 IonicContact OE1-NZ 3.75Å; E99-K409 PolarHBondContact OE1-NZ 2.9Å; E407-K409 VanDerWaalsContact C-N 3.33Å; E407-K409 PolarHBondContact O-N 3.03Å; E407-K409 VanDerWaalsContact O-N 3.1Å; K409-A413 WeakPolarHBondContact O-CB 2.97Å; K409-A413 PolarHBondContact O-N 3.06Å; K409-A413 VanDerWaalsContact O-N 3.08Å
410	A	98.1	Very high	97.5	Very high	36 Å²	36	39.8 Å²	39.8	30%	0.298	21%	0.212	S	C	.	.	H	α-helix	trans	-67.1	-40.5	179.9	0	0	0	0	0	111.1	E407 A413 A414	E407-A410 HydrophobicContact CB-CB 4.23Å; E407-A410 PolarHBondContact O-N 2.81Å; A410-A413 PolarHBondContact O-N 2.88Å; A410-A414 WeakPolarHBondContact O-CB 3.31Å; A410-A414 PolarHBondContact O-N 2.8Å
411	H	98.6	Very high	97.8	Very high	7 Å²	7	38.8 Å²	38.8	3%	0.032	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-51.7	176.3	-167.4	111.9	0	0	0	111.6	G379 Y381 Y389 E407 A413 A414 E415	G379-H411 PolarHBondContact N-ND1 2.84Å; Y381-H411 PolarHBondContact O-CE1 3.4Å; Y381-H411 PolarHBondContact O-NE2 3.08Å; Y389-H411 HydrophobicContact CD2-CB 3.88Å; Y389-H411 AromaticContact CD2-CD2 3.99Å; Y389-H411 AromaticContact CD2-CG 3.66Å; Y389-H411 AromaticContact CD2-ND1 3.93Å; Y389-H411 HydrophobicContact CE2-CB 4.02Å; Y389-H411 AromaticContact CE2-CG 3.81Å; Y389-H411 AromaticContact CE2-ND1 3.66Å; E407-H411 VanDerWaalsContact O-CB 3.24Å; E407-H411 WeakPolarHBondContact O-CB 3.37Å; E407-H411 PolarHBondContact O-N 2.83Å; H411-A413 VanDerWaalsContact C-N 3.32Å; H411-A413 PolarHBondContact O-N 2.85Å; H411-A414 WeakPolarHBondContact O-CB 3.46Å; H411-A414 PolarHBondContact O-N 2.84Å; H411-A414 VanDerWaalsContact O-N 3.1Å; H411-E415 IonicContact CD2-OE1 3.95Å; H411-E415 IonicContact NE2-OE1 2.84Å; H411-E415 PolarHBondContact O-N 2.87Å
412	T	97.3	Very high	98	Very high	8 Å²	8	37.4 Å²	37.4	5%	0.049	19%	0.194	C	C	.	.	H	α-helix	trans	-65.5	-36	179.6	-58.9	0	0	0	0	112.2	W105 P408 A414 E415 V416	W105-T412 HydrophobicContact CB-CG2 3.81Å; W105-T412 WeakPolarHBondContact CB-OG1 3.35Å; W105-T412 HydrophobicContact CG-CG2 3.87Å; P408-T412 PolarHBondContact O-N 3.36Å; P408-T412 PolarHBondContact O-OG1 2.96Å; P408-T412 VanDerWaalsContact O-OG1 3.1Å; T412-A414 VanDerWaalsContact C-N 3.3Å; T412-A414 PolarHBondContact O-N 2.83Å; T412-E415 PolarHBondContact O-N 2.8Å; T412-V416 WeakPolarHBondContact O-CG2 3.48Å; T412-V416 PolarHBondContact O-N 3.24Å; T412-V416 VanDerWaalsContact O-N 3.08Å
413	A	98.2	Very high	98	Very high	60 Å²	60	38.5 Å²	38.5	50%	0.496	20%	0.199	S	C	.	.	H	α-helix	trans	-62.2	-39.6	172.7	0	0	0	0	0	111.9	K409 A410 H411 V416 H417	K409-A413 WeakPolarHBondContact O-CB 2.97Å; K409-A413 PolarHBondContact O-N 3.06Å; K409-A413 VanDerWaalsContact O-N 3.08Å; A410-A413 PolarHBondContact O-N 2.88Å; H411-A413 VanDerWaalsContact C-N 3.32Å; H411-A413 PolarHBondContact O-N 2.85Å; A413-V416 PolarHBondContact O-N 3.45Å; A413-H417 WeakPolarHBondContact O-CB 3.32Å; A413-H417 PolarHBondContact O-N 3.48Å
414	A	98.7	Very high	98.1	Very high	4 Å²	4	41 Å²	41	3%	0.033	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-42.6	175	0	0	0	0	0	112.2	Y375 A378 L382 A410 H411 T412 H417 L418	Y375-A414 HydrophobicContact CD1-CB 3.68Å; Y375-A414 HydrophobicContact CD2-CB 4Å; Y375-A414 HydrophobicContact CE1-CB 4.28Å; Y375-A414 HydrophobicContact CG-CB 3.52Å; A378-A414 HydrophobicContact CB-CB 3.88Å; L382-A414 HydrophobicContact CD2-CB 3.86Å; A410-A414 WeakPolarHBondContact O-CB 3.31Å; A410-A414 PolarHBondContact O-N 2.8Å; H411-A414 WeakPolarHBondContact O-CB 3.46Å; H411-A414 PolarHBondContact O-N 2.84Å; H411-A414 VanDerWaalsContact O-N 3.1Å; T412-A414 VanDerWaalsContact C-N 3.3Å; T412-A414 PolarHBondContact O-N 2.83Å; A414-H417 PolarHBondContact O-N 2.8Å; A414-L418 WeakPolarHBondContact O-CB 3.38Å; A414-L418 PolarHBondContact O-N 2.9Å
415	E	98.6	Very high	98.1	Very high	12 Å²	12	41.2 Å²	41.2	6%	0.056	21%	0.211	C	C	.	.	H	α-helix	trans	-59.9	-47	175.2	-69.6	-177.6	134.9	0	0	112.1	L382 E383 P385 H411 T412 H417 L418 W419	L382-E415 HydrophobicContact CD2-CG 3.98Å; E383-E415 WeakPolarHBondContact CB-OE1 3.47Å; E383-E415 PolarHBondContact N-OE1 2.9Å; E383-E415 VanDerWaalsContact N-OE1 3.07Å; E383-E415 WeakPolarHBondContact O-CB 3.27Å; E383-E415 WeakPolarHBondContact O-CG 3.38Å; P385-E415 HydrophobicContact CB-CB 4.34Å; H411-E415 IonicContact CD2-OE1 3.95Å; H411-E415 IonicContact NE2-OE1 2.84Å; H411-E415 PolarHBondContact O-N 2.87Å; T412-E415 PolarHBondContact O-N 2.8Å; E415-H417 PolarHBondContact O-N 2.87Å; E415-L418 PolarHBondContact O-N 2.64Å; E415-W419 VanDerWaalsContact O-CB 3.24Å; E415-W419 WeakPolarHBondContact O-CB 3.31Å; E415-W419 PolarHBondContact O-N 2.86Å
416	V	98.5	Very high	98.1	Very high	63 Å²	63	41 Å²	41	38%	0.382	21%	0.208	S	C	.	.	H	α-helix	trans	-61.1	-47	178.5	172.5	0	0	0	0	110.9	P385 F386 T412 A413 R420	P385-V416 HydrophobicContact CB-CG2 3.69Å; F386-V416 HydrophobicContact CE1-CG2 3.72Å; F386-V416 HydrophobicContact CZ-CG2 3.98Å; T412-V416 WeakPolarHBondContact O-CG2 3.48Å; T412-V416 PolarHBondContact O-N 3.24Å; T412-V416 VanDerWaalsContact O-N 3.08Å; A413-V416 PolarHBondContact O-N 3.45Å; V416-R420 PolarHBondContact O-N 2.92Å
417	H	98.7	Very high	98	Very high	76 Å²	76	46.8 Å²	46.8	35%	0.352	23%	0.228	S	C	.	.	H	α-helix	trans	-65.1	-47.2	178.8	-179.2	-96.6	0	0	0	112	Y375 A413 A414 E415 W419 R420 K421	Y375-H417 HydrophobicContact CE1-CB 4.27Å; Y375-H417 AromaticContact CE1-ND1 3.42Å; Y375-H417 WeakPolarHBondContact CE1-ND1 3.31Å; Y375-H417 AromaticContact CZ-ND1 3.53Å; Y375-H417 PolarHBondContact OH-ND1 3.11Å; A413-H417 WeakPolarHBondContact O-CB 3.32Å; A413-H417 PolarHBondContact O-N 3.48Å; A414-H417 PolarHBondContact O-N 2.8Å; E415-H417 PolarHBondContact O-N 2.87Å; H417-W419 VanDerWaalsContact C-N 3.33Å; H417-W419 PolarHBondContact O-N 3.28Å; H417-R420 PolarHBondContact CD2-NH2 3.28Å; H417-R420 PolarHBondContact O-N 2.92Å; H417-K421 PolarHBondContact O-N 3.23Å; H417-K421 VanDerWaalsContact O-N 3.1Å
418	L	98.8	Very high	97.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	23%	0.23	C	C	.	.	H	α-helix	trans	-62.1	-41.5	-179.7	176.1	59.6	0	0	0	111.5	I273 V341 Y375 L382 A414 E415 R420 K421 I422	I273-L418 HydrophobicContact CD1-CD2 4.16Å; I273-L418 HydrophobicContact CG2-CD2 4.25Å; V341-L418 HydrophobicContact CB-CD1 4.35Å; V341-L418 HydrophobicContact CG1-CD1 3.89Å; V341-L418 HydrophobicContact CG1-CD2 3.91Å; V341-L418 HydrophobicContact CG2-CD1 3.59Å; Y375-L418 HydrophobicContact CE2-CB 4.03Å; Y375-L418 HydrophobicContact CE2-CD1 4.42Å; Y375-L418 WeakPolarHBondContact OH-CA 3.46Å; Y375-L418 PolarHBondContact OH-N 2.77Å; L382-L418 HydrophobicContact CB-CD2 3.8Å; L382-L418 HydrophobicContact CD1-CD2 3.93Å; L382-L418 HydrophobicContact CG-CD2 4.44Å; A414-L418 WeakPolarHBondContact O-CB 3.38Å; A414-L418 PolarHBondContact O-N 2.9Å; E415-L418 PolarHBondContact O-N 2.64Å; L418-R420 VanDerWaalsContact C-N 3.28Å; L418-R420 PolarHBondContact O-N 2.85Å; L418-K421 CarbonylContact O-C 3.58Å; L418-K421 PolarHBondContact O-N 3.35Å; L418-K421 VanDerWaalsContact O-N 3.07Å; L418-I422 HydrophobicContact CD1-CD1 4.07Å; L418-I422 HydrophobicContact CD1-CG1 3.93Å; L418-I422 HydrophobicContact CD2-CD1 4.24Å; L418-I422 HydrophobicContact CG-CD1 3.72Å; L418-I422 HydrophobicContact CG-CG1 4.12Å; L418-I422 WeakPolarHBondContact O-CG1 3.45Å; L418-I422 PolarHBondContact O-N 3.37Å
419	W	98.7	Very high	97.8	Very high	12 Å²	12	45.4 Å²	45.4	5%	0.045	23%	0.226	C	C	.	.	H	α-helix	trans	-60.6	-38.8	-178.5	-171.2	-121.9	0	0	0	112.7	D39 R193 L196 L197 P384 P385 E415 H417 I422 Q423	D39-W419 PolarHBondContact OD2-NE1 3.26Å; R193-W419 HydrophobicContact CG-CH2 4.14Å; R193-W419 HydrophobicContact CG-CZ3 4Å; L196-W419 HydrophobicContact CB-CH2 4.08Å; L196-W419 HydrophobicContact CB-CZ2 3.64Å; L197-W419 HydrophobicContact CD2-CH2 3.87Å; L197-W419 HydrophobicContact CD2-CZ2 4.26Å; L197-W419 HydrophobicContact CD2-CZ3 4.34Å; L197-W419 HydrophobicContact CG-CH2 3.68Å; L197-W419 HydrophobicContact CG-CZ2 4.33Å; L197-W419 HydrophobicContact CG-CZ3 4.34Å; P384-W419 HydrophobicContact CB-CD2 4.45Å; P384-W419 HydrophobicContact CB-CE3 4.32Å; P384-W419 HydrophobicContact CB-CH2 4.31Å; P384-W419 HydrophobicContact CB-CZ2 4.47Å; P384-W419 HydrophobicContact CB-CZ3 4.27Å; P384-W419 HydrophobicContact CG-CE3 4.27Å; P384-W419 HydrophobicContact CG-CH2 3.97Å; P384-W419 HydrophobicContact CG-CZ3 3.82Å; P385-W419 HydrophobicContact CG-CB 4.27Å; P385-W419 HydrophobicContact CG-CG 4.24Å; E415-W419 VanDerWaalsContact O-CB 3.24Å; E415-W419 WeakPolarHBondContact O-CB 3.31Å; E415-W419 PolarHBondContact O-N 2.86Å; H417-W419 VanDerWaalsContact C-N 3.33Å; H417-W419 PolarHBondContact O-N 3.28Å; W419-I422 HydrophobicContact CE3-CD1 4.01Å; W419-I422 HydrophobicContact CZ3-CD1 4.39Å; W419-Q423 WeakPolarHBondContact O-CG 3.15Å; W419-Q423 PolarHBondContact O-N 3.3Å; W419-Q423 PolarHBondContact O-NE2 3.14Å
420	R	98.4	Very high	97.7	Very high	137 Å²	137	39.8 Å²	39.8	52%	0.517	20%	0.202	S	C	.	.	H	α-helix	trans	-65.1	-48.3	171.1	-176.9	-179.4	63.5	-159.3	-1.9	111.2	V416 H417 L418 I422 Q423 E424	V416-R420 PolarHBondContact O-N 2.92Å; H417-R420 PolarHBondContact CD2-NH2 3.28Å; H417-R420 PolarHBondContact O-N 2.92Å; L418-R420 VanDerWaalsContact C-N 3.28Å; L418-R420 PolarHBondContact O-N 2.85Å; R420-I422 VanDerWaalsContact C-N 3.31Å; R420-I422 PolarHBondContact O-N 2.83Å; R420-Q423 PolarHBondContact O-N 3.22Å; R420-Q423 VanDerWaalsContact O-N 3.13Å; R420-E424 WeakPolarHBondContact CD-OE1 3.48Å; R420-E424 HydrophobicContact CG-CG 4.39Å; R420-E424 VanDerWaalsContact CG-OE1 3.25Å; R420-E424 WeakPolarHBondContact CG-OE1 3.45Å; R420-E424 IonicContact NE-OE1 3.6Å; R420-E424 WeakPolarHBondContact O-CG 3.33Å; R420-E424 PolarHBondContact O-N 2.89Å
421	K	98.6	Very high	96.6	Very high	38 Å²	38	41 Å²	41	17%	0.165	21%	0.208	C	C	.	.	H	α-helix	trans	-61.7	-35.9	-178.9	-169.4	170.2	176.3	65.1	0	112.8	L339 E371 V373 H417 L418 E424 F425	L339-K421 HydrophobicContact CD1-CD 4.3Å; L339-K421 VanDerWaalsContact CD1-CE 3.43Å; L339-K421 HydrophobicContact CD2-CD 4.33Å; L339-K421 HydrophobicContact CD2-CG 4Å; E371-K421 IonicContact OE2-NZ 3.52Å; E371-K421 PolarHBondContact OE2-NZ 3.28Å; V373-K421 HydrophobicContact CG1-CD 4.35Å; H417-K421 PolarHBondContact O-N 3.23Å; H417-K421 VanDerWaalsContact O-N 3.1Å; L418-K421 CarbonylContact O-C 3.58Å; L418-K421 PolarHBondContact O-N 3.35Å; L418-K421 VanDerWaalsContact O-N 3.07Å; K421-E424 PolarHBondContact O-N 2.98Å; K421-F425 VanDerWaalsContact O-CB 3.22Å; K421-F425 WeakPolarHBondContact O-CB 3.43Å; K421-F425 PolarHBondContact O-N 2.86Å
422	I	98.7	Very high	95.3	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-57.1	-49.7	173.7	-76.8	165	0	0	0	110.7	L197 I248 I271 I273 L418 W419 R420 F426	L197-I422 HydrophobicContact CD2-CG2 4Å; I248-I422 HydrophobicContact CD1-CD1 3.86Å; I248-I422 HydrophobicContact CD1-CG1 4.2Å; I248-I422 HydrophobicContact CD1-CG2 3.89Å; I271-I422 HydrophobicContact CD1-CB 3.99Å; I271-I422 HydrophobicContact CD1-CG1 3.89Å; I271-I422 HydrophobicContact CD1-CG2 3.77Å; I271-I422 HydrophobicContact CG2-CG1 4.21Å; I273-I422 HydrophobicContact CD1-CD1 4.11Å; L418-I422 HydrophobicContact CD1-CD1 4.07Å; L418-I422 HydrophobicContact CD1-CG1 3.93Å; L418-I422 HydrophobicContact CD2-CD1 4.24Å; L418-I422 HydrophobicContact CG-CD1 3.72Å; L418-I422 HydrophobicContact CG-CG1 4.12Å; L418-I422 WeakPolarHBondContact O-CG1 3.45Å; L418-I422 PolarHBondContact O-N 3.37Å; W419-I422 HydrophobicContact CE3-CD1 4.01Å; W419-I422 HydrophobicContact CZ3-CD1 4.39Å; R420-I422 VanDerWaalsContact C-N 3.31Å; R420-I422 PolarHBondContact O-N 2.83Å; I422-F426 HydrophobicContact CG2-CD2 4.06Å; I422-F426 HydrophobicContact CG2-CE2 4.14Å; I422-F426 PolarHBondContact O-N 2.64Å
423	Q	98.4	Very high	93.6	Very high	22 Å²	22	46.9 Å²	46.9	10%	0.103	24%	0.243	C	C	.	.	H	α-helix	trans	-67.1	-43	-178.8	-62.6	173	52.5	0	0	111.5	L197 R200 F202 W419 R420 R427	L197-Q423 HydrophobicContact CD2-CG 4.33Å; R200-Q423 HydrophobicContact CB-CG 4.45Å; R200-Q423 HydrophobicContact CG-CG 4.5Å; F202-Q423 HydrophobicContact CE2-CB 4.28Å; F202-Q423 HydrophobicContact CE2-CG 4.26Å; W419-Q423 WeakPolarHBondContact O-CG 3.15Å; W419-Q423 PolarHBondContact O-N 3.3Å; W419-Q423 PolarHBondContact O-NE2 3.14Å; R420-Q423 PolarHBondContact O-N 3.22Å; R420-Q423 VanDerWaalsContact O-N 3.13Å; Q423-R427 WeakPolarHBondContact O-CB 3.31Å; Q423-R427 VanDerWaalsContact O-CG 3.31Å; Q423-R427 WeakPolarHBondContact O-CG 3.28Å; Q423-R427 PolarHBondContact O-N 3.33Å; Q423-R427 VanDerWaalsContact OE1-NH2 3.11Å
424	E	98.1	Very high	91.3	Very high	91 Å²	91	52.6 Å²	52.6	43%	0.425	26%	0.256	S	S	.	.	H	α-helix	trans	-60.8	-47	176.6	-71.9	168.5	176.4	0	0	111.6	R420 K421 R427 T428	R420-E424 WeakPolarHBondContact CD-OE1 3.48Å; R420-E424 HydrophobicContact CG-CG 4.39Å; R420-E424 VanDerWaalsContact CG-OE1 3.25Å; R420-E424 WeakPolarHBondContact CG-OE1 3.45Å; R420-E424 IonicContact NE-OE1 3.6Å; R420-E424 WeakPolarHBondContact O-CG 3.33Å; R420-E424 PolarHBondContact O-N 2.89Å; K421-E424 PolarHBondContact O-N 2.98Å; E424-R427 PolarHBondContact O-N 3.08Å; E424-T428 WeakPolarHBondContact O-CB 3.33Å; E424-T428 PolarHBondContact O-N 3.23Å; E424-T428 PolarHBondContact O-OG1 3.24Å
425	F	98.4	Very high	88.9	Confident	7 Å²	7	57.8 Å²	57.8	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-60.7	-48.6	179	-177.7	-97.7	0	0	0	111.7	A269 I271 R337 L339 K421 T428 H429	A269-F425 HydrophobicContact CB-CE1 3.8Å; A269-F425 HydrophobicContact CB-CZ 4.43Å; I271-F425 HydrophobicContact CD1-CB 4.49Å; I271-F425 HydrophobicContact CD1-CD1 3.82Å; I271-F425 HydrophobicContact CG1-CD1 3.56Å; I271-F425 HydrophobicContact CG1-CE1 3.85Å; R337-F425 HydrophobicContact CB-CZ 4.05Å; L339-F425 HydrophobicContact CB-CD1 3.99Å; L339-F425 HydrophobicContact CB-CD2 3.76Å; L339-F425 HydrophobicContact CB-CE1 3.89Å; L339-F425 HydrophobicContact CB-CE2 3.67Å; L339-F425 HydrophobicContact CB-CG 3.92Å; L339-F425 HydrophobicContact CB-CZ 3.74Å; L339-F425 HydrophobicContact CD2-CB 4.01Å; L339-F425 HydrophobicContact CD2-CD2 4.32Å; L339-F425 HydrophobicContact CD2-CG 4.04Å; K421-F425 VanDerWaalsContact O-CB 3.22Å; K421-F425 WeakPolarHBondContact O-CB 3.43Å; K421-F425 PolarHBondContact O-N 2.86Å; F425-T428 PolarHBondContact O-N 2.75Å; F425-H429 AromaticContact CD2-CD2 3.38Å; F425-H429 WeakPolarHBondContact CD2-CD2 3.42Å; F425-H429 AromaticContact CD2-NE2 3.7Å; F425-H429 AromaticContact CE2-CD2 3.26Å; F425-H429 WeakPolarHBondContact CE2-CD2 3.44Å; F425-H429 AromaticContact CE2-NE2 3.62Å; F425-H429 AromaticContact CG-CD2 3.89Å; F425-H429 AromaticContact CZ-CD2 3.68Å; F425-H429 PolarHBondContact O-CD2 2.9Å; F425-H429 VanDerWaalsContact O-CD2 3.27Å; F425-H429 PolarHBondContact O-N 3Å
426	F	97.7	Very high	86.1	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-66.6	-40.6	178.1	-77	-39.4	0	0	0	113.2	V179 F202 I248 A269 I271 I422 T428 H429 L430	V179-F426 HydrophobicContact CG1-CE2 3.9Å; V179-F426 HydrophobicContact CG1-CZ 3.96Å; V179-F426 HydrophobicContact CG2-CD2 4.16Å; V179-F426 HydrophobicContact CG2-CE2 4.17Å; V179-F426 HydrophobicContact CG2-CG 4.39Å; V179-F426 HydrophobicContact CG2-CZ 4.43Å; F202-F426 HydrophobicContact CD1-CB 4.31Å; F202-F426 HydrophobicContact CE1-CB 3.47Å; F202-F426 VanDerWaalsContact CE1-CB 3.47Å; F202-F426 HydrophobicContact CZ-CB 3.73Å; I248-F426 HydrophobicContact CB-CE2 4.04Å; I248-F426 HydrophobicContact CB-CZ 3.88Å; I248-F426 HydrophobicContact CD1-CE2 4.34Å; I248-F426 HydrophobicContact CG2-CE2 4.47Å; A269-F426 HydrophobicContact CB-CD1 4.14Å; A269-F426 HydrophobicContact CB-CE1 4.22Å; I271-F426 HydrophobicContact CB-CZ 4.26Å; I271-F426 HydrophobicContact CD1-CD1 4.17Å; I271-F426 HydrophobicContact CD1-CD2 3.74Å; I271-F426 HydrophobicContact CD1-CE1 3.85Å; I271-F426 HydrophobicContact CD1-CE2 3.4Å; I271-F426 VanDerWaalsContact CD1-CE2 3.4Å; I271-F426 HydrophobicContact CD1-CG 4.12Å; I271-F426 HydrophobicContact CD1-CZ 3.46Å; I271-F426 VanDerWaalsContact CD1-CZ 3.46Å; I271-F426 HydrophobicContact CG1-CD1 4.43Å; I271-F426 HydrophobicContact CG1-CE1 3.8Å; I271-F426 HydrophobicContact CG1-CE2 4.11Å; I271-F426 HydrophobicContact CG1-CZ 3.62Å; I422-F426 HydrophobicContact CG2-CD2 4.06Å; I422-F426 HydrophobicContact CG2-CE2 4.14Å; I422-F426 PolarHBondContact O-N 2.64Å; F426-T428 PolarHBondContact O-N 3.15Å; F426-H429 PolarHBondContact O-N 3.42Å; F426-L430 HydrophobicContact CB-CD1 3.97Å; F426-L430 HydrophobicContact CB-CG 4.44Å; F426-L430 HydrophobicContact CD1-CD1 3.65Å; F426-L430 HydrophobicContact CD1-CG 4.09Å; F426-L430 HydrophobicContact CE1-CD1 4.38Å; F426-L430 HydrophobicContact CG-CD1 4Å; F426-L430 VanDerWaalsContact O-CB 3.25Å; F426-L430 WeakPolarHBondContact O-CB 3.4Å; F426-L430 WeakPolarHBondContact O-CG 3.43Å; F426-L430 PolarHBondContact O-N 2.92Å
427	R	95.4	Very high	83.4	Confident	127 Å²	127	70.7 Å²	70.7	48%	0.479	34%	0.339	S	S	.	.	H	α-helix	trans	-61.1	-35	174.7	-74.9	-179.1	-167.2	118.6	7.5	112.3	R200 F202 Q423 E424	R200-R427 PolarHBondContact O-NH2 3.27Å; R200-R427 VanDerWaalsContact O-NH2 3.09Å; F202-R427 HydrophobicContact CE1-CG 4.21Å; F202-R427 HydrophobicContact CZ-CG 3.8Å; Q423-R427 WeakPolarHBondContact O-CB 3.31Å; Q423-R427 VanDerWaalsContact O-CG 3.31Å; Q423-R427 WeakPolarHBondContact O-CG 3.28Å; Q423-R427 PolarHBondContact O-N 3.33Å; Q423-R427 VanDerWaalsContact OE1-NH2 3.11Å; E424-R427 PolarHBondContact O-N 3.08Å
428	T	94.8	Very high	80.6	Confident	98 Å²	98	76.3 Å²	76.3	60%	0.601	36%	0.362	S	S	*	.	H	α-helix	trans	-75.4	-33.2	-178.2	-54.7	0	0	0	0	112.2	E424 F425 F426	E424-T428 WeakPolarHBondContact O-CB 3.33Å; E424-T428 PolarHBondContact O-N 3.23Å; E424-T428 PolarHBondContact O-OG1 3.24Å; F425-T428 PolarHBondContact O-N 2.75Å; F426-T428 PolarHBondContact O-N 3.15Å
429	H	95.1	Very high	77.6	Confident	24 Å²	24	80.7 Å²	80.7	11%	0.111	39%	0.393	C	S	.	.	H	α-helix	trans	-114.9	-7.3	-168	-60.6	-39.9	0	0	0	115.5	A269 R337 E371 F425 F426	A269-H429 HydrophobicContact CB-CB 3.99Å; R337-H429 WeakPolarHBondContact CD-ND1 3.35Å; R337-H429 PolarHBondContact NH1-CE1 2.86Å; R337-H429 VanDerWaalsContact NH1-CE1 3.27Å; E371-H429 IonicContact OE1-NE2 2.74Å; F425-H429 AromaticContact CD2-CD2 3.38Å; F425-H429 WeakPolarHBondContact CD2-CD2 3.42Å; F425-H429 AromaticContact CD2-NE2 3.7Å; F425-H429 AromaticContact CE2-CD2 3.26Å; F425-H429 WeakPolarHBondContact CE2-CD2 3.44Å; F425-H429 AromaticContact CE2-NE2 3.62Å; F425-H429 AromaticContact CG-CD2 3.89Å; F425-H429 AromaticContact CZ-CD2 3.68Å; F425-H429 PolarHBondContact O-CD2 2.9Å; F425-H429 VanDerWaalsContact O-CD2 3.27Å; F425-H429 PolarHBondContact O-N 3Å; F426-H429 PolarHBondContact O-N 3.42Å
430	L	93.6	Very high	74.8	Confident	7 Å²	7	90 Å²	90	4%	0.037	43%	0.434	C	S	.	.	S	Bend	trans	-106.1	100.9	172.1	-56.8	-178.9	0	0	0	109.1	P177 V179 Q268 A269 F426	P177-L430 HydrophobicContact CB-CB 3.5Å; P177-L430 HydrophobicContact CB-CD1 3.9Å; P177-L430 HydrophobicContact CB-CG 4.37Å; V179-L430 HydrophobicContact CG2-CD1 3.82Å; Q268-L430 HydrophobicContact CB-CD2 3.81Å; A269-L430 HydrophobicContact CB-CD2 3.78Å; A269-L430 HydrophobicContact CB-CG 4.35Å; F426-L430 HydrophobicContact CB-CD1 3.97Å; F426-L430 HydrophobicContact CB-CG 4.44Å; F426-L430 HydrophobicContact CD1-CD1 3.65Å; F426-L430 HydrophobicContact CD1-CG 4.09Å; F426-L430 HydrophobicContact CE1-CD1 4.38Å; F426-L430 HydrophobicContact CG-CD1 4Å; F426-L430 VanDerWaalsContact O-CB 3.25Å; F426-L430 WeakPolarHBondContact O-CB 3.4Å; F426-L430 WeakPolarHBondContact O-CG 3.43Å; F426-L430 PolarHBondContact O-N 2.92Å
431	S	75.5	Confident	71.8	Confident	61 Å²	61	94.4 Å²	94.4	43%	0.427	47%	0.467	S	S	.	.			trans	-77	135.8	179.2	-59.1	0	0	0	0	111.5	N243	N243-S431 WeakPolarHBondContact ND2-CB 3.4Å
432	C	70.6	Confident	70.5	Confident	44 Å²	44	97.3 Å²	97.3	30%	0.297	48%	0.482	S	S	.	.			trans	-114.7	78.7	171.4	-66	0	0	0	0	109.2	P175 P177 K434	P175-C432 HydrophobicContact CG-CB 4.2Å; P177-C432 VanDerWaalsContact CA-SG 3.5Å; P177-C432 WeakPolarHBondContact CD-SG 3.44Å; P177-C432 VanDerWaalsContact CG-SG 3.55Å; C432-K434 PolarHBondContact O-N 3.5Å
433	D	62.5	Low	69	Low	95 Å²	95	102.2 Å²	102.2	51%	0.508	51%	0.506	S	S	.	.			trans	-69.7	129.8	169.9	-64.2	-40.6	0	0	0	108.1	N243 I435	N243-D433 PolarHBondContact ND2-OD2 3.07Å; D433-I435 PolarHBondContact O-N 2.94Å
434	K	50.2	Low	67.4	Low	180 Å²	180	106.6 Å²	106.6	78%	0.783	53%	0.528	S	S	*	.			trans	-58.2	125.5	172.9	-74.3	-175.1	177.7	-177.5	0	107.8	C432 K436	C432-K434 PolarHBondContact O-N 3.5Å; K434-K436 PolarHBondContact O-N 2.79Å
435	I	48.3	Very low	65.6	Low	113 Å²	113	107.5 Å²	107.5	58%	0.579	53%	0.534	S	S	*	.			trans	-50.3	114.2	166.9	-62.2	173.6	0	0	0	106.2	D433 I437	D433-I435 PolarHBondContact O-N 2.94Å; I435-I437 VanDerWaalsContact C-N 3.31Å; I435-I437 PolarHBondContact O-N 2.96Å
436	K	39.9	Very low	63.5	Low	195 Å²	195	113.8 Å²	113.8	85%	0.848	57%	0.566	S	S	*	*			trans	-59	102.5	167	-79.9	-177	178.2	179.2	0	105.6	K434 K438	K434-K436 PolarHBondContact O-N 2.79Å; K436-K438 VanDerWaalsContact C-N 3.31Å; K436-K438 PolarHBondContact O-N 3.2Å
437	I	40.6	Very low	61.2	Low	152 Å²	152	121.4 Å²	121.4	78%	0.779	60%	0.604	S	S	*	*			trans	-55.6	104.7	167.3	-62	171.6	0	0	0	104.6	I435 S439	I435-I437 VanDerWaalsContact C-N 3.31Å; I435-I437 PolarHBondContact O-N 2.96Å; I437-S439 VanDerWaalsContact C-N 3.25Å; I437-S439 PolarHBondContact O-N 3.34Å
438	K	39.7	Very low	58.8	Low	193 Å²	193	121 Å²	121	84%	0.839	61%	0.613	S	S	*	*			trans	-62.6	100.6	164.4	-85.5	-174.9	174.7	-179	0	104.7	K436 K440	K436-K438 VanDerWaalsContact C-N 3.31Å; K436-K438 PolarHBondContact O-N 3.2Å; K438-K440 PolarHBondContact O-N 3.13Å
439	S	36.2	Very low	56	Low	94 Å²	94	122.8 Å²	122.8	66%	0.657	61%	0.613	S	S	*	*			trans	-54	104.5	164.1	51.2	0	0	0	0	106.8	I437 L441	I437-S439 VanDerWaalsContact C-N 3.25Å; I437-S439 PolarHBondContact O-N 3.34Å; S439-L441 PolarHBondContact O-N 3.5Å; S439-L441 VanDerWaalsContact O-N 3.14Å
440	K	40.2	Very low	52.8	Low	207 Å²	207	131 Å²	131	90%	0.9	66%	0.655	S	S	*	*			trans	-69.9	102.6	161	-76.5	-175.9	175.9	-178.6	0	105.4	K438	K438-K440 PolarHBondContact O-N 3.13Å
441	L	35.9	Very low	49	Very low	231 Å²	231	142.3 Å²	142.3	100%	1.209	71%	0.712	S	S	*	*			trans	-85.3	0	158.2	-98.6	152.5	0	0	0	107.9	S439	S439-L441 PolarHBondContact O-N 3.5Å; S439-L441 VanDerWaalsContact O-N 3.14Å

Retrieved 441 of 441 residues in 3311.1 ms (Link to these results)

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