A0A087XFH0_POEFO Loading...

MAGUK p55 scaffold protein 7a

AlphaFold DB , UniProt , Accession A0A087XFH0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 526 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	I	63.5	Low	66.9	Low	176 Å²	176	139.7 Å²	139.7	90%	0.903	65%	0.653	S	S	*	*				0	-54	0	-62.9	172.4	0	0	0	110.2	E3 R4 L5	I1-E3 PolarHBondContact O-N 3.39Å; I1-R4 PolarHBondContact O-N 3.1Å; I1-R4 VanDerWaalsContact O-N 3.17Å; I1-L5 HydrophobicContact CG2-CD1 3.73Å; I1-L5 HydrophobicContact CG2-CG 4.34Å; I1-L5 WeakPolarHBondContact O-CG 3.27Å; I1-L5 PolarHBondContact O-N 3.24Å
2	H	66.9	Low	67	Low	140 Å²	140	141.7 Å²	141.7	65%	0.648	66%	0.657	S	S	*	*	H	α-helix	trans	-56.1	-49.7	178.7	-167.7	64.8	0	0	0	114.6	R4 L5 Q6	H2-R4 VanDerWaalsContact C-N 3.31Å; H2-R4 PolarHBondContact O-N 3.04Å; H2-L5 PolarHBondContact O-N 3.33Å; H2-L5 VanDerWaalsContact O-N 3.14Å; H2-Q6 PolarHBondContact O-N 2.96Å
3	E	68.3	Low	67.1	Low	161 Å²	161	137 Å²	137	75%	0.752	65%	0.647	S	S	*	*	H	α-helix	trans	-61.2	-36	174.9	-81.8	178.5	149.6	0	0	113.5	I1 Q6 H7	I1-E3 PolarHBondContact O-N 3.39Å; E3-Q6 PolarHBondContact O-N 3.25Å; E3-H7 PolarHBondContact O-N 2.81Å
4	R	67.1	Low	67.4	Low	216 Å²	216	133 Å²	133	82%	0.815	65%	0.649	S	S	*	*	H	α-helix	trans	-71.3	-30.6	176.5	-77.4	-162.6	170.5	174.1	-2.1	112.6	I1 H2 Y8	I1-R4 PolarHBondContact O-N 3.1Å; I1-R4 VanDerWaalsContact O-N 3.17Å; H2-R4 VanDerWaalsContact C-N 3.31Å; H2-R4 PolarHBondContact O-N 3.04Å; R4-Y8 PolarHBondContact O-N 3.41Å
5	L	68.1	Low	68	Low	103 Å²	103	128.4 Å²	128.4	54%	0.539	63%	0.633	S	S	.	*	H	α-helix	trans	-72.5	-38.6	173.1	-72.8	165.7	0	0	0	111.2	I1 H2 Y8 E9	I1-L5 HydrophobicContact CG2-CD1 3.73Å; I1-L5 HydrophobicContact CG2-CG 4.34Å; I1-L5 WeakPolarHBondContact O-CG 3.27Å; I1-L5 PolarHBondContact O-N 3.24Å; H2-L5 PolarHBondContact O-N 3.33Å; H2-L5 VanDerWaalsContact O-N 3.14Å; L5-Y8 WeakPolarHBondContact O-CA 3.39Å; L5-Y8 VanDerWaalsContact O-CB 3.3Å; L5-Y8 WeakPolarHBondContact O-CB 3.39Å; L5-Y8 PolarHBondContact O-N 3.07Å; L5-Y8 VanDerWaalsContact O-N 3.11Å; L5-E9 PolarHBondContact O-N 3.19Å; L5-E9 VanDerWaalsContact O-N 3.09Å
6	Q	69.4	Low	68.6	Low	98 Å²	98	129.7 Å²	129.7	46%	0.458	65%	0.65	S	S	.	*	H	α-helix	trans	-61.4	-44.3	173.1	-100.9	175.7	-26	0	0	112.3	H2 E3 Y8 E9 E10	H2-Q6 PolarHBondContact O-N 2.96Å; E3-Q6 PolarHBondContact O-N 3.25Å; Q6-Y8 PolarHBondContact O-N 3.24Å; Q6-E9 PolarHBondContact O-N 3.4Å; Q6-E9 VanDerWaalsContact O-N 3.16Å; Q6-E10 PolarHBondContact O-N 3.43Å
7	H	64.9	Low	69.1	Low	123 Å²	123	127.3 Å²	127.3	57%	0.569	64%	0.638	S	S	*	*	H	α-helix	trans	-64	-28.3	174.2	-135.7	53.1	0	0	0	112.5	E3 E10 S11	E3-H7 PolarHBondContact O-N 2.81Å; H7-E10 IonicContact ND1-OE2 2.66Å; H7-E10 PolarHBondContact O-N 2.98Å; H7-S11 PolarHBondContact O-N 2.75Å; H7-S11 PolarHBondContact O-OG 3.28Å
8	Y	65.5	Low	69.9	Low	139 Å²	139	125 Å²	125	55%	0.545	63%	0.628	S	S	.	*	H	α-helix	trans	-74.3	-27.2	176.3	-149.1	-91.4	0	0	0	113	R4 L5 Q6 K12 P13	R4-Y8 PolarHBondContact O-N 3.41Å; L5-Y8 WeakPolarHBondContact O-CA 3.39Å; L5-Y8 VanDerWaalsContact O-CB 3.3Å; L5-Y8 WeakPolarHBondContact O-CB 3.39Å; L5-Y8 PolarHBondContact O-N 3.07Å; L5-Y8 VanDerWaalsContact O-N 3.11Å; Q6-Y8 PolarHBondContact O-N 3.24Å; Y8-K12 VanDerWaalsContact O-CG 3.26Å; Y8-K12 WeakPolarHBondContact O-CG 3.18Å; Y8-K12 PolarHBondContact O-N 3.23Å; Y8-P13 HydrophobicContact CE1-CG 4.09Å; Y8-P13 HydrophobicContact CE2-CG 3.71Å; Y8-P13 WeakPolarHBondContact OH-CG 2.7Å
9	E	64.8	Low	70.7	Confident	149 Å²	149	120.4 Å²	120.4	70%	0.696	61%	0.609	S	S	*	*	H	α-helix	trans	-70.2	-36	171.5	-74.5	-175.9	153.6	0	0	111.8	L5 Q6	L5-E9 PolarHBondContact O-N 3.19Å; L5-E9 VanDerWaalsContact O-N 3.09Å; Q6-E9 PolarHBondContact O-N 3.4Å; Q6-E9 VanDerWaalsContact O-N 3.16Å
10	E	68.5	Low	71.4	Confident	159 Å²	159	115.6 Å²	115.6	74%	0.743	59%	0.588	S	S	*	*	H	α-helix	trans	-78.5	-36.8	179.8	-67.1	176.8	165.3	0	0	113	Q6 H7	Q6-E10 PolarHBondContact O-N 3.43Å; H7-E10 IonicContact ND1-OE2 2.66Å; H7-E10 PolarHBondContact O-N 2.98Å
11	S	68.8	Low	72.1	Confident	73 Å²	73	111.4 Å²	111.4	51%	0.51	57%	0.571	S	S	.	*	S	Bend	trans	-129.9	77.6	179.1	58.8	0	0	0	0	111.3	H7 P13	H7-S11 PolarHBondContact O-N 2.75Å; H7-S11 PolarHBondContact O-OG 3.28Å; S11-P13 WeakPolarHBondContact O-CD 3.47Å
12	K	68.5	Low	73.2	Confident	163 Å²	163	107 Å²	107	71%	0.709	55%	0.552	S	S	*	*			trans	-65.3	123.3	175.5	-69.6	-178.8	-177	179.1	0	109.5	Y8 A14	Y8-K12 VanDerWaalsContact O-CG 3.26Å; Y8-K12 WeakPolarHBondContact O-CG 3.18Å; Y8-K12 PolarHBondContact O-N 3.23Å; K12-A14 PolarHBondContact O-N 2.91Å
13	P	68.2	Low	74.1	Confident	81 Å²	81	104.2 Å²	104.2	53%	0.526	54%	0.542	S	S	.	.			trans	-64.5	113.5	172.9	25.3	-30.3	0	0	0	108.4	Y8 S11	Y8-P13 HydrophobicContact CE1-CG 4.09Å; Y8-P13 HydrophobicContact CE2-CG 3.71Å; Y8-P13 WeakPolarHBondContact OH-CG 2.7Å; S11-P13 WeakPolarHBondContact O-CD 3.47Å
14	A	71.1	Confident	74.9	Confident	81 Å²	81	97.5 Å²	97.5	67%	0.669	51%	0.513	S	S	*	.			trans	-86	135.7	171.2	0	0	0	0	0	108.6	K12 V16	K12-A14 PolarHBondContact O-N 2.91Å; A14-V16 PolarHBondContact O-N 2.88Å
15	P	75.8	Confident	75.7	Confident	64 Å²	64	92.9 Å²	92.9	42%	0.416	50%	0.501	S	S	.	.			trans	-62	133.4	171.1	29.8	-35.7	0	0	0	108.5	M17 A63	P15-M17 PolarHBondContact O-N 3.37Å; P15-A63 HydrophobicContact CB-CB 3.55Å; P15-A63 HydrophobicContact CG-CB 3.67Å
16	V	77.6	Confident	76.5	Confident	149 Å²	149	91.5 Å²	91.5	90%	0.903	49%	0.494	S	S	*	.	S	Bend	trans	-65.8	-27.4	176	179.3	0	0	0	0	110.4	A14	A14-V16 PolarHBondContact O-N 2.88Å
17	M	78.6	Confident	77.2	Confident	89 Å²	89	90.7 Å²	90.7	44%	0.438	49%	0.493	S	S	.	.			trans	-153	158.8	176	-148.2	-176.4	-55.2	0	0	110.6	P15 L23 H59	P15-M17 PolarHBondContact O-N 3.37Å; M17-L23 HydrophobicContact CE-CD1 3.55Å; M17-L23 HydrophobicContact SD-CD1 3.14Å; M17-L23 WeakPolarHBondContact SD-CD1 3.15Å; M17-L23 HydrophobicContact SD-CG 4.29Å; M17-H59 PolarHBondContact O-CE1 2.9Å
18	D	82.3	Confident	78.1	Confident	86 Å²	86	85.1 Å²	85.1	46%	0.46	47%	0.468	S	S	.	.	S	Bend	trans	-109.5	3.1	-175.7	59.2	-0.5	0	0	0	114.2	A63 Q64	D18-A63 HydrophobicContact CB-CB 4.31Å; D18-Q64 HydrophobicContact CB-CG 4.09Å; D18-Q64 PolarHBondContact O-NE2 3.42Å
19	S	85	Confident	78.9	Confident	38 Å²	38	83.3 Å²	83.3	27%	0.266	46%	0.464	S	S	.	.			trans	-139.5	36.7	-170.7	44.2	0	0	0	0	112.5	A21 V22 L23 D60	S19-A21 VanDerWaalsContact C-N 3.28Å; S19-A21 PolarHBondContact O-N 2.86Å; S19-V22 PolarHBondContact O-N 3.28Å; S19-L23 PolarHBondContact O-N 2.91Å; S19-D60 WeakPolarHBondContact CA-OD2 3.48Å
20	A	85.1	Confident	79.6	Confident	24 Å²	24	82.5 Å²	82.5	20%	0.198	46%	0.46	C	S	.	.	H	α-helix	trans	-65.6	-30.1	-176.9	0	0	0	0	0	112.7	A24 L56 D60	A20-A24 WeakPolarHBondContact O-CB 3.47Å; A20-A24 PolarHBondContact O-N 3.31Å; A20-L56 HydrophobicContact CB-CD2 4.13Å; A20-D60 PolarHBondContact N-OD1 3.31Å; A20-D60 PolarHBondContact N-OD2 3.39Å; A20-D60 VanDerWaalsContact N-OD2 3.15Å
21	A	86.5	Confident	80.1	Confident	27 Å²	27	76.9 Å²	76.9	22%	0.223	44%	0.435	C	S	.	.	H	α-helix	trans	-68.2	-41.2	176.7	0	0	0	0	0	112.1	S19 A24 Q25 L56 D60	S19-A21 VanDerWaalsContact C-N 3.28Å; S19-A21 PolarHBondContact O-N 2.86Å; A21-A24 PolarHBondContact O-N 3.17Å; A21-Q25 PolarHBondContact O-N 2.85Å; A21-L56 HydrophobicContact CB-CB 3.85Å; A21-D60 WeakPolarHBondContact CB-OD2 3.1Å; A21-D60 PolarHBondContact N-OD2 2.9Å
22	V	86	Confident	80.1	Confident	83 Å²	83	79.3 Å²	79.3	50%	0.503	44%	0.437	S	S	.	.	H	α-helix	trans	-65.1	-45.7	178.5	-178.5	0	0	0	0	109.9	S19 A24 Q25 D26	S19-V22 PolarHBondContact O-N 3.28Å; V22-A24 PolarHBondContact O-N 3.5Å; V22-Q25 WeakPolarHBondContact O-CB 3.29Å; V22-Q25 PolarHBondContact O-N 3.44Å; V22-Q25 VanDerWaalsContact O-N 3.17Å; V22-D26 PolarHBondContact O-N 3.25Å
23	L	85.9	Confident	80.2	Confident	83 Å²	83	78.5 Å²	78.5	44%	0.435	44%	0.439	S	S	.	.	H	α-helix	trans	-62.5	-40.8	176.5	-75.6	-179.9	0	0	0	113.4	M17 S19 Q25 D26 L27	M17-L23 HydrophobicContact CE-CD1 3.55Å; M17-L23 HydrophobicContact SD-CD1 3.14Å; M17-L23 WeakPolarHBondContact SD-CD1 3.15Å; M17-L23 HydrophobicContact SD-CG 4.29Å; S19-L23 PolarHBondContact O-N 2.91Å; L23-Q25 VanDerWaalsContact C-N 3.25Å; L23-Q25 PolarHBondContact O-N 3.1Å; L23-D26 PolarHBondContact O-N 2.95Å; L23-L27 VanDerWaalsContact O-CB 3.26Å; L23-L27 WeakPolarHBondContact O-CB 3.49Å; L23-L27 PolarHBondContact O-N 2.84Å
24	A	85.8	Confident	80	Confident	19 Å²	19	82 Å²	82	16%	0.157	45%	0.446	C	S	.	.	H	α-helix	trans	-65	-33.1	177	0	0	0	0	0	112	A20 A21 V22 S28 L47 L56	A20-A24 WeakPolarHBondContact O-CB 3.47Å; A20-A24 PolarHBondContact O-N 3.31Å; A21-A24 PolarHBondContact O-N 3.17Å; V22-A24 PolarHBondContact O-N 3.5Å; A24-S28 WeakPolarHBondContact O-CB 3.34Å; A24-S28 PolarHBondContact O-N 3.48Å; A24-L47 HydrophobicContact CB-CD2 4.39Å; A24-L56 HydrophobicContact CB-CD1 3.38Å
25	Q	84.6	Confident	79.4	Confident	119 Å²	119	81.2 Å²	81.2	56%	0.556	44%	0.435	S	S	*	.	H	α-helix	trans	-69.8	-48.6	174.9	-174.4	170.4	-13.2	0	0	111.5	A21 V22 L23 L27 S28 E29	A21-Q25 PolarHBondContact O-N 2.85Å; V22-Q25 WeakPolarHBondContact O-CB 3.29Å; V22-Q25 PolarHBondContact O-N 3.44Å; V22-Q25 VanDerWaalsContact O-N 3.17Å; L23-Q25 VanDerWaalsContact C-N 3.25Å; L23-Q25 PolarHBondContact O-N 3.1Å; Q25-L27 VanDerWaalsContact C-N 3.29Å; Q25-L27 PolarHBondContact O-N 3.13Å; Q25-S28 WeakPolarHBondContact O-CB 3.31Å; Q25-S28 PolarHBondContact O-N 3.34Å; Q25-S28 VanDerWaalsContact O-N 3.14Å; Q25-E29 WeakPolarHBondContact O-CG 3.48Å; Q25-E29 PolarHBondContact O-N 3.5Å
26	D	84.5	Confident	78.7	Confident	74 Å²	74	87.5 Å²	87.5	40%	0.396	46%	0.459	S	S	.	.	H	α-helix	trans	-58.6	-42.6	176.2	-72.1	-8.8	0	0	0	111.4	V22 L23 E29 Q30	V22-D26 PolarHBondContact O-N 3.25Å; L23-D26 PolarHBondContact O-N 2.95Å; D26-E29 PolarHBondContact O-N 3.25Å; D26-Q30 WeakPolarHBondContact O-CG 3.28Å; D26-Q30 PolarHBondContact O-N 3.46Å
27	L	84.2	Confident	78.7	Confident	81 Å²	81	84.6 Å²	84.6	42%	0.424	44%	0.438	S	S	.	.	H	α-helix	trans	-65.6	-41.4	177	-163.8	114.8	0	0	0	111.3	L23 Q25 E29 Q30 L31 L47	L23-L27 VanDerWaalsContact O-CB 3.26Å; L23-L27 WeakPolarHBondContact O-CB 3.49Å; L23-L27 PolarHBondContact O-N 2.84Å; Q25-L27 VanDerWaalsContact C-N 3.29Å; Q25-L27 PolarHBondContact O-N 3.13Å; L27-E29 VanDerWaalsContact C-N 3.32Å; L27-E29 PolarHBondContact O-N 3.08Å; L27-Q30 PolarHBondContact O-N 3.2Å; L27-L31 HydrophobicContact CD2-CD1 3.51Å; L27-L31 HydrophobicContact CD2-CG 4.37Å; L27-L31 HydrophobicContact CG-CD1 4.02Å; L27-L31 HydrophobicContact CG-CG 4.36Å; L27-L31 WeakPolarHBondContact O-CB 3.24Å; L27-L31 WeakPolarHBondContact O-CG 3.41Å; L27-L31 PolarHBondContact O-N 3.05Å; L27-L47 HydrophobicContact CD2-CD1 3.54Å
28	S	82.5	Confident	78.6	Confident	7 Å²	7	82.5 Å²	82.5	5%	0.049	44%	0.44	C	S	.	.	H	α-helix	trans	-60.9	-40.9	174.8	-174.3	0	0	0	0	111.8	A24 Q25 K32	A24-S28 WeakPolarHBondContact O-CB 3.34Å; A24-S28 PolarHBondContact O-N 3.48Å; Q25-S28 WeakPolarHBondContact O-CB 3.31Å; Q25-S28 PolarHBondContact O-N 3.34Å; Q25-S28 VanDerWaalsContact O-N 3.14Å; S28-K32 VanDerWaalsContact O-CG 3.31Å; S28-K32 WeakPolarHBondContact O-CG 3.43Å; S28-K32 PolarHBondContact O-N 3.09Å; S28-K32 VanDerWaalsContact O-N 3.16Å
29	E	82.4	Confident	78.5	Confident	100 Å²	100	84 Å²	84	47%	0.467	45%	0.448	S	S	.	.	H	α-helix	trans	-67.6	-41.4	177.1	-71	-179.6	-169.1	0	0	112.1	Q25 D26 L27 K32 I33	Q25-E29 WeakPolarHBondContact O-CG 3.48Å; Q25-E29 PolarHBondContact O-N 3.5Å; D26-E29 PolarHBondContact O-N 3.25Å; L27-E29 VanDerWaalsContact C-N 3.32Å; L27-E29 PolarHBondContact O-N 3.08Å; E29-K32 PolarHBondContact O-N 3Å; E29-I33 WeakPolarHBondContact O-CG1 3.43Å; E29-I33 PolarHBondContact O-N 2.89Å
30	Q	80.1	Confident	78.3	Confident	133 Å²	133	84.2 Å²	84.2	62%	0.621	45%	0.445	S	S	*	.	H	α-helix	trans	-68	-38	176.7	-71.3	-177.4	17.1	0	0	113.1	D26 L27 K32 I33 K34	D26-Q30 WeakPolarHBondContact O-CG 3.28Å; D26-Q30 PolarHBondContact O-N 3.46Å; L27-Q30 PolarHBondContact O-N 3.2Å; Q30-K32 VanDerWaalsContact C-N 3.3Å; Q30-K32 PolarHBondContact O-N 2.91Å; Q30-I33 PolarHBondContact O-N 2.87Å; Q30-K34 PolarHBondContact O-N 2.8Å
31	L	77.8	Confident	77.9	Confident	41 Å²	41	89.4 Å²	89.4	22%	0.215	46%	0.463	C	S	.	.	H	α-helix	trans	-71.8	-22.7	177.8	-68	173.8	0	0	0	112.7	L27 K34 I40 L43 L47	L27-L31 HydrophobicContact CD2-CD1 3.51Å; L27-L31 HydrophobicContact CD2-CG 4.37Å; L27-L31 HydrophobicContact CG-CD1 4.02Å; L27-L31 HydrophobicContact CG-CG 4.36Å; L27-L31 WeakPolarHBondContact O-CB 3.24Å; L27-L31 WeakPolarHBondContact O-CG 3.41Å; L27-L31 PolarHBondContact O-N 3.05Å; L31-K34 CarbonylContact O-C 3.4Å; L31-I40 HydrophobicContact CB-CG2 4.21Å; L31-I40 HydrophobicContact CD2-CG2 3.92Å; L31-L43 HydrophobicContact CD1-CD2 4.02Å; L31-L43 HydrophobicContact CD1-CG 4.35Å; L31-L47 HydrophobicContact CD1-CD1 4.49Å
32	K	70.6	Confident	77.8	Confident	124 Å²	124	94.1 Å²	94.1	54%	0.539	48%	0.481	S	S	.	.	H	α-helix	trans	-70.3	-33.3	170.9	-76.9	171.7	-175.5	-178.9	0	112.9	S28 E29 Q30 K34 E48	S28-K32 VanDerWaalsContact O-CG 3.31Å; S28-K32 WeakPolarHBondContact O-CG 3.43Å; S28-K32 PolarHBondContact O-N 3.09Å; S28-K32 VanDerWaalsContact O-N 3.16Å; E29-K32 PolarHBondContact O-N 3Å; Q30-K32 VanDerWaalsContact C-N 3.3Å; Q30-K32 PolarHBondContact O-N 2.91Å; K32-K34 VanDerWaalsContact C-N 3.34Å; K32-E48 WeakPolarHBondContact CE-OE1 3.44Å; K32-E48 IonicContact NZ-OE1 2.61Å; K32-E48 PolarHBondContact NZ-OE1 2.94Å
33	I	68.9	Low	77.7	Confident	146 Å²	146	93.9 Å²	93.9	75%	0.749	48%	0.476	S	S	*	.	H	α-helix	trans	-76.8	-26.6	-178.5	-62	165.5	0	0	0	110.8	E29 Q30	E29-I33 WeakPolarHBondContact O-CG1 3.43Å; E29-I33 PolarHBondContact O-N 2.89Å; Q30-I33 PolarHBondContact O-N 2.87Å
34	K	65.1	Low	77.5	Confident	155 Å²	155	90.5 Å²	90.5	67%	0.674	46%	0.46	S	S	*	.	S	Bend	trans	-124.8	104.6	178.3	-68.7	179.7	178.3	177.6	0	110.4	Q30 L31 K32	Q30-K34 PolarHBondContact O-N 2.8Å; L31-K34 CarbonylContact O-C 3.4Å; K32-K34 VanDerWaalsContact C-N 3.34Å
35	S	58.3	Low	77.3	Confident	63 Å²	63	97.3 Å²	97.3	44%	0.441	49%	0.486	S	S	.	.				155.3	144.8	123	-71.3	0	0	0	0	116.5	I40	S35-I40 WeakPolarHBondContact OG-CD1 3.39Å
36	E	61.9	Low	77.4	Confident	197 Å²	197	96 Å²	96	92%	0.921	48%	0.483	S	S	*	.			trans	-86.7	-0.1	165.5	-67	-178.7	153.3	0	0	113.6
37	N	76.4	Confident	77.4	Confident	87 Å²	87	94 Å²	94	47%	0.465	47%	0.472	S	S	.	.			trans	-81.8	136.1	-177.9	-164.4	-3.1	0	0	0	112.6	I40 K41	N37-I40 HydrophobicContact CB-CD1 4.03Å; N37-I40 HydrophobicContact CB-CG1 4.29Å; N37-I40 PolarHBondContact O-N 2.87Å; N37-K41 PolarHBondContact O-N 2.95Å
38	G	76.9	Confident	77.3	Confident	46 Å²	46	93.9 Å²	93.9	47%	0.474	47%	0.469	S	S	.	.	H	α-helix	trans	-63.8	-43	-176	0	0	0	0	0	113.8	I40 K41 E42	G38-I40 VanDerWaalsContact C-N 3.29Å; G38-I40 PolarHBondContact O-N 2.71Å; G38-K41 PolarHBondContact O-N 2.69Å; G38-E42 PolarHBondContact O-N 2.95Å; G38-E42 VanDerWaalsContact O-N 3.11Å
39	D	80.2	Confident	77.6	Confident	117 Å²	117	96.3 Å²	96.3	63%	0.626	48%	0.482	S	S	*	.	H	α-helix	trans	-66	-33	-177.6	-56.3	-22.1	0	0	0	112.1	E42 L43	D39-E42 PolarHBondContact O-N 2.96Å; D39-L43 PolarHBondContact O-N 2.99Å
40	I	80.8	Confident	77.9	Confident	42 Å²	42	95.7 Å²	95.7	22%	0.215	49%	0.486	C	S	.	.	H	α-helix	trans	-70.3	-36.6	178.4	-66.6	175.5	0	0	0	110.8	L31 S35 N37 G38 L43 A44	L31-I40 HydrophobicContact CB-CG2 4.21Å; L31-I40 HydrophobicContact CD2-CG2 3.92Å; S35-I40 WeakPolarHBondContact OG-CD1 3.39Å; N37-I40 HydrophobicContact CB-CD1 4.03Å; N37-I40 HydrophobicContact CB-CG1 4.29Å; N37-I40 PolarHBondContact O-N 2.87Å; G38-I40 VanDerWaalsContact C-N 3.29Å; G38-I40 PolarHBondContact O-N 2.71Å; I40-L43 PolarHBondContact O-N 3.23Å; I40-A44 WeakPolarHBondContact O-CB 3.45Å; I40-A44 PolarHBondContact O-N 3.48Å
41	K	77.1	Confident	78.3	Confident	134 Å²	134	96.3 Å²	96.3	58%	0.583	49%	0.489	S	S	*	.	H	α-helix	trans	-68.3	-37.1	174.9	-70.2	178.9	178.9	174.3	0	111.7	N37 G38 K45	N37-K41 PolarHBondContact O-N 2.95Å; G38-K41 PolarHBondContact O-N 2.69Å; K41-K45 WeakPolarHBondContact O-CB 3.43Å; K41-K45 PolarHBondContact O-N 3.34Å
42	E	83.1	Confident	78.8	Confident	125 Å²	125	96.7 Å²	96.7	58%	0.584	49%	0.493	S	S	*	.	H	α-helix	trans	-65.5	-46.1	174.7	-172.8	173.9	-173.5	0	0	111.5	G38 D39 A44 K45 L46	G38-E42 PolarHBondContact O-N 2.95Å; G38-E42 VanDerWaalsContact O-N 3.11Å; D39-E42 PolarHBondContact O-N 2.96Å; E42-A44 PolarHBondContact O-N 3.48Å; E42-K45 WeakPolarHBondContact O-CB 3.37Å; E42-K45 PolarHBondContact O-N 3.15Å; E42-L46 HydrophobicContact CG-CD1 4.38Å; E42-L46 WeakPolarHBondContact O-CG 3.41Å; E42-L46 PolarHBondContact O-N 3.42Å
43	L	83.7	Confident	79.6	Confident	78 Å²	78	95.8 Å²	95.8	41%	0.408	49%	0.489	S	S	.	.	H	α-helix	trans	-61.5	-43.7	176.2	-178.9	61.3	0	0	0	112.1	L31 D39 I40 K45 L46 L47	L31-L43 HydrophobicContact CD1-CD2 4.02Å; L31-L43 HydrophobicContact CD1-CG 4.35Å; D39-L43 PolarHBondContact O-N 2.99Å; I40-L43 PolarHBondContact O-N 3.23Å; L43-K45 VanDerWaalsContact C-N 3.3Å; L43-K45 PolarHBondContact O-N 3.5Å; L43-L46 PolarHBondContact O-N 2.96Å; L43-L47 HydrophobicContact CD1-CD1 4.36Å; L43-L47 HydrophobicContact CD1-CG 4.34Å; L43-L47 HydrophobicContact CG-CD1 4.23Å; L43-L47 WeakPolarHBondContact O-CG 3.02Å; L43-L47 PolarHBondContact O-N 3.37Å
44	A	81.6	Confident	80.6	Confident	12 Å²	12	92.4 Å²	92.4	10%	0.099	48%	0.478	C	S	.	.	H	α-helix	trans	-59.8	-42.3	175.6	0	0	0	0	0	111.5	I40 E42 L46 L47 E48	I40-A44 WeakPolarHBondContact O-CB 3.45Å; I40-A44 PolarHBondContact O-N 3.48Å; E42-A44 PolarHBondContact O-N 3.48Å; A44-L46 VanDerWaalsContact C-N 3.35Å; A44-L46 PolarHBondContact O-N 3.37Å; A44-L47 PolarHBondContact O-N 2.97Å; A44-E48 WeakPolarHBondContact O-CB 3.45Å; A44-E48 WeakPolarHBondContact O-CG 3.47Å; A44-E48 PolarHBondContact O-N 3.37Å
45	K	82.6	Confident	81.7	Confident	163 Å²	163	90.8 Å²	90.8	71%	0.709	48%	0.476	S	S	*	.	H	α-helix	trans	-65.9	-35.1	177.2	-168.5	178	-178.3	-177.8	0	112.7	K41 E42 L43 N49	K41-K45 WeakPolarHBondContact O-CB 3.43Å; K41-K45 PolarHBondContact O-N 3.34Å; E42-K45 WeakPolarHBondContact O-CB 3.37Å; E42-K45 PolarHBondContact O-N 3.15Å; L43-K45 VanDerWaalsContact C-N 3.3Å; L43-K45 PolarHBondContact O-N 3.5Å; K45-N49 PolarHBondContact O-N 3.49Å
46	L	85.8	Confident	83.2	Confident	91 Å²	91	89.7 Å²	89.7	48%	0.476	47%	0.465	S	S	.	.	H	α-helix	trans	-68.8	-43.8	175.1	-76.8	168.7	0	0	0	112.1	E42 L43 A44 E48 N49	E42-L46 HydrophobicContact CG-CD1 4.38Å; E42-L46 WeakPolarHBondContact O-CG 3.41Å; E42-L46 PolarHBondContact O-N 3.42Å; L43-L46 PolarHBondContact O-N 2.96Å; A44-L46 VanDerWaalsContact C-N 3.35Å; A44-L46 PolarHBondContact O-N 3.37Å; L46-E48 VanDerWaalsContact C-N 3.28Å; L46-E48 PolarHBondContact O-N 2.89Å; L46-N49 WeakPolarHBondContact O-CB 3.45Å; L46-N49 PolarHBondContact O-N 2.9Å
47	L	84.6	Confident	84.4	Confident	31 Å²	31	83.4 Å²	83.4	16%	0.162	44%	0.443	C	S	.	.	H	α-helix	trans	-68.7	-27.8	176.8	-67.8	174.6	0	0	0	112.6	A24 L27 L31 L43 A44 N49 K53	A24-L47 HydrophobicContact CB-CD2 4.39Å; L27-L47 HydrophobicContact CD2-CD1 3.54Å; L31-L47 HydrophobicContact CD1-CD1 4.49Å; L43-L47 HydrophobicContact CD1-CD1 4.36Å; L43-L47 HydrophobicContact CD1-CG 4.34Å; L43-L47 HydrophobicContact CG-CD1 4.23Å; L43-L47 WeakPolarHBondContact O-CG 3.02Å; L43-L47 PolarHBondContact O-N 3.37Å; A44-L47 PolarHBondContact O-N 2.97Å; L47-N49 VanDerWaalsContact C-N 3.26Å; L47-N49 PolarHBondContact O-N 3.47Å; L47-K53 WeakPolarHBondContact O-CE 3.42Å
48	E	82.9	Confident	84.9	Confident	79 Å²	79	83.5 Å²	83.5	37%	0.369	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-15.4	174	-78.1	-170.6	147	0	0	114.3	K32 A44 L46 K53	K32-E48 WeakPolarHBondContact CE-OE1 3.44Å; K32-E48 IonicContact NZ-OE1 2.61Å; K32-E48 PolarHBondContact NZ-OE1 2.94Å; A44-E48 WeakPolarHBondContact O-CB 3.45Å; A44-E48 WeakPolarHBondContact O-CG 3.47Å; A44-E48 PolarHBondContact O-N 3.37Å; L46-E48 VanDerWaalsContact C-N 3.28Å; L46-E48 PolarHBondContact O-N 2.89Å; E48-K53 PolarHBondContact O-NZ 3.45Å
49	N	89.2	Confident	85.4	Confident	59 Å²	59	84.8 Å²	84.8	32%	0.316	44%	0.44	S	S	.	.			trans	-60.1	126.8	-177.6	-171.8	-36	0	0	0	110.5	K45 L46 L47 H51 V52 K53	K45-N49 PolarHBondContact O-N 3.49Å; L46-N49 WeakPolarHBondContact O-CB 3.45Å; L46-N49 PolarHBondContact O-N 2.9Å; L47-N49 VanDerWaalsContact C-N 3.26Å; L47-N49 PolarHBondContact O-N 3.47Å; N49-H51 PolarHBondContact O-N 2.67Å; N49-H51 VanDerWaalsContact O-N 3.16Å; N49-H51 PolarHBondContact OD1-CD2 3.48Å; N49-H51 PolarHBondContact OD1-N 3.07Å; N49-V52 HydrophobicContact CB-CB 4.39Å; N49-V52 HydrophobicContact CB-CG2 4.07Å; N49-V52 PolarHBondContact O-N 2.93Å; N49-K53 PolarHBondContact O-N 3.32Å; N49-K53 VanDerWaalsContact O-N 3.09Å
50	P	88.1	Confident	85.8	Confident	86 Å²	86	79.8 Å²	79.8	56%	0.558	41%	0.413	S	S	*	.	H	α-helix	trans	-56.3	-34.5	-178.5	21.8	-34.1	0	0	0	112.8	V52 K53 S54	P50-V52 PolarHBondContact O-N 3.49Å; P50-K53 PolarHBondContact O-N 3.21Å; P50-S54 WeakPolarHBondContact O-CB 3.43Å; P50-S54 PolarHBondContact O-N 3.07Å; P50-S54 PolarHBondContact O-OG 3.43Å; P50-S54 VanDerWaalsContact O-OG 3.05Å
51	H	89.8	Confident	86	Confident	147 Å²	147	80.6 Å²	80.6	68%	0.681	42%	0.42	S	S	*	.	H	α-helix	trans	-66.4	-37.4	178.6	-64.1	-65.5	0	0	0	112.7	N49 L55	N49-H51 PolarHBondContact O-N 2.67Å; N49-H51 VanDerWaalsContact O-N 3.16Å; N49-H51 PolarHBondContact OD1-CD2 3.48Å; N49-H51 PolarHBondContact OD1-N 3.07Å; H51-L55 WeakPolarHBondContact O-CB 3.43Å; H51-L55 PolarHBondContact O-N 3.03Å
52	V	88.1	Confident	86.3	Confident	49 Å²	49	78.4 Å²	78.4	30%	0.297	42%	0.417	S	S	.	.	H	α-helix	trans	-71.3	-43	178.2	177.4	0	0	0	0	110	N49 P50 S54 L55 L56	N49-V52 HydrophobicContact CB-CB 4.39Å; N49-V52 HydrophobicContact CB-CG2 4.07Å; N49-V52 PolarHBondContact O-N 2.93Å; P50-V52 PolarHBondContact O-N 3.49Å; V52-S54 PolarHBondContact O-N 3.28Å; V52-L55 PolarHBondContact O-N 3.15Å; V52-L56 HydrophobicContact CG1-CD1 4.26Å; V52-L56 WeakPolarHBondContact O-CG 3.34Å; V52-L56 PolarHBondContact O-N 3.21Å
53	K	87.4	Confident	86.3	Confident	105 Å²	105	73.3 Å²	73.3	46%	0.457	40%	0.397	S	S	.	.	H	α-helix	trans	-60.1	-45.1	174.6	-71.9	177.3	172.8	166.1	0	112.4	L47 E48 N49 P50 L56 S57	L47-K53 WeakPolarHBondContact O-CE 3.42Å; E48-K53 PolarHBondContact O-NZ 3.45Å; N49-K53 PolarHBondContact O-N 3.32Å; N49-K53 VanDerWaalsContact O-N 3.09Å; P50-K53 PolarHBondContact O-N 3.21Å; K53-L56 PolarHBondContact O-N 3.08Å; K53-S57 WeakPolarHBondContact O-CB 3.42Å; K53-S57 PolarHBondContact O-N 2.98Å
54	S	88.1	Confident	86.2	Confident	74 Å²	74	73 Å²	73	52%	0.517	39%	0.394	S	S	.	.	H	α-helix	trans	-63.2	-41.1	175.9	-64.6	0	0	0	0	112	P50 V52 S57 V58	P50-S54 WeakPolarHBondContact O-CB 3.43Å; P50-S54 PolarHBondContact O-N 3.07Å; P50-S54 PolarHBondContact O-OG 3.43Å; P50-S54 VanDerWaalsContact O-OG 3.05Å; V52-S54 PolarHBondContact O-N 3.28Å; S54-S57 PolarHBondContact O-N 3.4Å; S54-V58 WeakPolarHBondContact O-CG2 3.46Å; S54-V58 PolarHBondContact O-N 3.48Å
55	L	89.9	Confident	86	Confident	122 Å²	122	79 Å²	79	64%	0.639	42%	0.417	S	S	*	.	H	α-helix	trans	-61.2	-45.1	176.9	-178	65.9	0	0	0	111.9	H51 V52 V58 H59	H51-L55 WeakPolarHBondContact O-CB 3.43Å; H51-L55 PolarHBondContact O-N 3.03Å; V52-L55 PolarHBondContact O-N 3.15Å; L55-V58 PolarHBondContact O-N 2.92Å; L55-H59 WeakPolarHBondContact O-CB 3.43Å; L55-H59 PolarHBondContact O-N 3.28Å
56	L	88.4	Confident	85.4	Confident	40 Å²	40	79.5 Å²	79.5	21%	0.209	42%	0.415	C	S	.	.	H	α-helix	trans	-66.5	-37	177.7	-66.3	174.5	0	0	0	112.2	A20 A21 A24 V52 K53 H59 D60	A20-L56 HydrophobicContact CB-CD2 4.13Å; A21-L56 HydrophobicContact CB-CB 3.85Å; A24-L56 HydrophobicContact CB-CD1 3.38Å; V52-L56 HydrophobicContact CG1-CD1 4.26Å; V52-L56 WeakPolarHBondContact O-CG 3.34Å; V52-L56 PolarHBondContact O-N 3.21Å; K53-L56 PolarHBondContact O-N 3.08Å; L56-H59 WeakPolarHBondContact O-CB 3.37Å; L56-H59 PolarHBondContact O-N 3.08Å; L56-D60 PolarHBondContact O-N 2.99Å
57	S	87.4	Confident	84.7	Confident	64 Å²	64	81.7 Å²	81.7	45%	0.448	42%	0.418	S	S	.	.	H	α-helix	trans	-65.4	-41	174.8	176	0	0	0	0	112.6	K53 S54 D60 T61	K53-S57 WeakPolarHBondContact O-CB 3.42Å; K53-S57 PolarHBondContact O-N 2.98Å; S54-S57 PolarHBondContact O-N 3.4Å; S57-D60 PolarHBondContact O-N 3.11Å; S57-T61 PolarHBondContact O-N 3.3Å; S57-T61 PolarHBondContact O-OG1 3.01Å
58	V	87.7	Confident	84	Confident	89 Å²	89	84.7 Å²	84.7	54%	0.539	43%	0.434	S	S	.	.	H	α-helix	trans	-66.2	-42.1	174.7	172	0	0	0	0	110.6	S54 L55 D60 T61 V62	S54-V58 WeakPolarHBondContact O-CG2 3.46Å; S54-V58 PolarHBondContact O-N 3.48Å; L55-V58 PolarHBondContact O-N 2.92Å; V58-D60 PolarHBondContact O-N 2.77Å; V58-T61 PolarHBondContact O-N 2.85Å; V58-V62 WeakPolarHBondContact O-CG2 3.37Å; V58-V62 PolarHBondContact O-N 3.35Å
59	H	87.8	Confident	83.2	Confident	73 Å²	73	86.8 Å²	86.8	34%	0.338	45%	0.454	S	S	.	.	H	α-helix	trans	-54.7	-51.8	173.4	167.3	-86.9	0	0	0	111.4	M17 L55 L56 T61 V62 A63	M17-H59 PolarHBondContact O-CE1 2.9Å; L55-H59 WeakPolarHBondContact O-CB 3.43Å; L55-H59 PolarHBondContact O-N 3.28Å; L56-H59 WeakPolarHBondContact O-CB 3.37Å; L56-H59 PolarHBondContact O-N 3.08Å; H59-T61 VanDerWaalsContact C-N 3.3Å; H59-T61 PolarHBondContact O-N 3.41Å; H59-V62 PolarHBondContact O-N 3.31Å; H59-A63 VanDerWaalsContact O-CB 3.29Å; H59-A63 WeakPolarHBondContact O-CB 3.45Å; H59-A63 PolarHBondContact O-N 3.44Å
60	D	88.8	Confident	82	Confident	12 Å²	12	92.2 Å²	92.2	6%	0.064	48%	0.477	C	S	.	.	H	α-helix	trans	-64.5	-35.7	-178.6	-69.7	-1.3	0	0	0	111.7	S19 A20 A21 L56 S57 V58 V62 A63 Q64	S19-D60 WeakPolarHBondContact CA-OD2 3.48Å; A20-D60 PolarHBondContact N-OD1 3.31Å; A20-D60 PolarHBondContact N-OD2 3.39Å; A20-D60 VanDerWaalsContact N-OD2 3.15Å; A21-D60 WeakPolarHBondContact CB-OD2 3.1Å; A21-D60 PolarHBondContact N-OD2 2.9Å; L56-D60 PolarHBondContact O-N 2.99Å; S57-D60 PolarHBondContact O-N 3.11Å; V58-D60 PolarHBondContact O-N 2.77Å; D60-V62 PolarHBondContact O-N 3.21Å; D60-A63 PolarHBondContact O-N 2.97Å; D60-Q64 VanDerWaalsContact O-CB 3.26Å; D60-Q64 WeakPolarHBondContact O-CB 3.38Å; D60-Q64 WeakPolarHBondContact O-CG 3.44Å; D60-Q64 PolarHBondContact O-N 2.9Å
61	T	83.4	Confident	80.6	Confident	59 Å²	59	95.6 Å²	95.6	36%	0.362	49%	0.49	S	S	.	.	H	α-helix	trans	-62	-43.1	174.7	-55.7	0	0	0	0	112	S57 V58 H59 K65 R66	S57-T61 PolarHBondContact O-N 3.3Å; S57-T61 PolarHBondContact O-OG1 3.01Å; V58-T61 PolarHBondContact O-N 2.85Å; H59-T61 VanDerWaalsContact C-N 3.3Å; H59-T61 PolarHBondContact O-N 3.41Å; T61-K65 PolarHBondContact O-N 3.05Å; T61-R66 HydrophobicContact CG2-CB 4.2Å; T61-R66 PolarHBondContact O-N 2.88Å
62	V	83.6	Confident	79.5	Confident	88 Å²	88	93.6 Å²	93.6	53%	0.533	49%	0.49	S	S	.	.	H	α-helix	trans	-71.5	-41.9	177.1	175.3	0	0	0	0	111	V58 H59 D60 Q64 K65	V58-V62 WeakPolarHBondContact O-CG2 3.37Å; V58-V62 PolarHBondContact O-N 3.35Å; H59-V62 PolarHBondContact O-N 3.31Å; D60-V62 PolarHBondContact O-N 3.21Å; V62-Q64 VanDerWaalsContact C-N 3.35Å; V62-Q64 PolarHBondContact O-N 3.47Å; V62-K65 PolarHBondContact O-N 3.17Å; V62-K65 VanDerWaalsContact O-N 3.11Å
63	A	83.6	Confident	78.3	Confident	18 Å²	18	97.1 Å²	97.1	15%	0.149	51%	0.514	C	S	.	.	H	α-helix	trans	-63	-40.8	179.5	0	0	0	0	0	112.1	P15 D18 H59 D60 K65	P15-A63 HydrophobicContact CB-CB 3.55Å; P15-A63 HydrophobicContact CG-CB 3.67Å; D18-A63 HydrophobicContact CB-CB 4.31Å; H59-A63 VanDerWaalsContact O-CB 3.29Å; H59-A63 WeakPolarHBondContact O-CB 3.45Å; H59-A63 PolarHBondContact O-N 3.44Å; D60-A63 PolarHBondContact O-N 2.97Å; A63-K65 PolarHBondContact O-N 2.87Å
64	Q	81.8	Confident	76.5	Confident	73 Å²	73	99.2 Å²	99.2	34%	0.341	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	1.5	176.7	-65.2	175.4	14.6	0	0	113.4	D18 D60 V62 R66	D18-Q64 HydrophobicContact CB-CG 4.09Å; D18-Q64 PolarHBondContact O-NE2 3.42Å; D60-Q64 VanDerWaalsContact O-CB 3.26Å; D60-Q64 WeakPolarHBondContact O-CB 3.38Å; D60-Q64 WeakPolarHBondContact O-CG 3.44Å; D60-Q64 PolarHBondContact O-N 2.9Å; V62-Q64 VanDerWaalsContact C-N 3.35Å; V62-Q64 PolarHBondContact O-N 3.47Å; Q64-R66 HydrophobicContact CB-CG 3.98Å; Q64-R66 PolarHBondContact O-N 3.3Å; Q64-R66 VanDerWaalsContact O-N 3.14Å
65	K	77.3	Confident	75	Confident	138 Å²	138	100 Å²	100	60%	0.6	53%	0.533	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	27.3	-177.7	-57.1	179.3	-179.1	174.4	0	114.5	T61 V62 A63 Y67 D68	T61-K65 PolarHBondContact O-N 3.05Å; V62-K65 PolarHBondContact O-N 3.17Å; V62-K65 VanDerWaalsContact O-N 3.11Å; A63-K65 PolarHBondContact O-N 2.87Å; K65-Y67 HydrophobicContact CB-CE1 4.1Å; K65-Y67 HydrophobicContact CG-CE1 4.26Å; K65-Y67 PolarHBondContact O-N 2.78Å; K65-D68 PolarHBondContact O-N 2.99Å
66	R	70.6	Confident	73.4	Confident	172 Å²	172	103.5 Å²	103.5	65%	0.649	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	19.7	179.1	-70.7	-173.1	177.2	-174.5	4.2	113.9	T61 Q64	T61-R66 HydrophobicContact CG2-CB 4.2Å; T61-R66 PolarHBondContact O-N 2.88Å; Q64-R66 HydrophobicContact CB-CG 3.98Å; Q64-R66 PolarHBondContact O-N 3.3Å; Q64-R66 VanDerWaalsContact O-N 3.14Å
67	Y	70.6	Confident	71.5	Confident	138 Å²	138	112.1 Å²	112.1	54%	0.541	58%	0.577	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.2	-15.2	173.7	60	-100	0	0	0	112.3	K65	K65-Y67 HydrophobicContact CB-CE1 4.1Å; K65-Y67 HydrophobicContact CG-CE1 4.26Å; K65-Y67 PolarHBondContact O-N 2.78Å
68	D	69.4	Low	69.4	Low	94 Å²	94	114.9 Å²	114.9	50%	0.503	59%	0.587	S	S	.	*	S	Bend	trans	-77.2	138.9	176.3	-72.8	-37	0	0	0	110	K65 E70	K65-D68 PolarHBondContact O-N 2.99Å; D68-E70 PolarHBondContact O-N 2.92Å; D68-E70 VanDerWaalsContact O-N 3.08Å
69	P	66.6	Low	67.2	Low	122 Å²	122	117.4 Å²	117.4	79%	0.792	60%	0.597	S	S	*	*			trans	-64.5	112.2	176.9	25.6	-32.1	0	0	0	109.8	L71	P69-L71 PolarHBondContact O-N 3.11Å
70	E	63.2	Low	65.1	Low	173 Å²	173	121.9 Å²	121.9	81%	0.808	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-67.2	118.4	173	-72.3	-177.3	173.9	0	0	109.3	D68	D68-E70 PolarHBondContact O-N 2.92Å; D68-E70 VanDerWaalsContact O-N 3.08Å
71	L	58.8	Low	63.2	Low	157 Å²	157	129.6 Å²	129.6	82%	0.822	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-67.1	138.6	172	-72.7	165.9	0	0	0	108.9	P69	P69-L71 PolarHBondContact O-N 3.11Å
72	P	68	Low	61.6	Low	106 Å²	106	135.6 Å²	135.6	69%	0.688	68%	0.681	S	S	*	*	P	Polyproline II helix	trans	-57.7	140.3	173.9	22.7	-30.6	0	0	0	109.8	L74	P72-L74 PolarHBondContact O-N 3.5Å
73	P	61.5	Low	60.3	Low	123 Å²	123	134.2 Å²	134.2	80%	0.799	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-59.5	130.6	178.3	23.8	-31.8	0	0	0	109.5
74	L	49.3	Very low	59.5	Low	148 Å²	148	138 Å²	138	78%	0.775	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-61.9	136.8	179.3	-78.9	154.8	0	0	0	109.9	P72 E76	P72-L74 PolarHBondContact O-N 3.5Å; L74-E76 PolarHBondContact O-N 3.24Å
75	P	58.3	Low	59.3	Low	92 Å²	92	137.9 Å²	137.9	60%	0.597	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-61.1	134.1	176.6	-19.1	30.2	0	0	0	111.5	Y77	P75-Y77 PolarHBondContact O-N 2.99Å
76	E	54.4	Low	59.6	Low	194 Å²	194	134.7 Å²	134.7	91%	0.907	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.1	4	-179.3	-68.6	177.1	161.5	0	0	114.9	L74	L74-E76 PolarHBondContact O-N 3.24Å
77	Y	49.8	Very low	60.3	Low	221 Å²	221	132.6 Å²	132.6	87%	0.867	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	13	-177	-70.6	-73.2	0	0	0	115.1	P75	P75-Y77 PolarHBondContact O-N 2.99Å
78	L	42.8	Very low	61	Low	123 Å²	123	126.1 Å²	126.1	64%	0.644	67%	0.666	S	S	*	*			trans	-97.1	98.3	167.1	-67.2	172.9	0	0	0	108.6	I80	L78-I80 PolarHBondContact O-N 2.85Å
79	N	41.7	Very low	61.7	Low	141 Å²	141	130.2 Å²	130.2	75%	0.754	68%	0.675	S	S	*	*			trans	-56.3	108.8	160.4	-101	-15.9	0	0	0	107.7	E81	N79-E81 PolarHBondContact O-N 3.28Å
80	I	44.2	Very low	62.4	Low	167 Å²	167	124.6 Å²	124.6	86%	0.856	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.5	9.7	178.1	-61.1	169.3	0	0	0	111.5	L78	L78-I80 PolarHBondContact O-N 2.85Å
81	E	47.5	Very low	63.3	Low	174 Å²	174	121 Å²	121	81%	0.813	63%	0.627	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.7	-2.3	177	-68.6	-168.9	167.5	0	0	114.6	N79 S83	N79-E81 PolarHBondContact O-N 3.28Å; E81-S83 PolarHBondContact O-N 3.14Å
82	E	50	Low	64	Low	185 Å²	185	114.7 Å²	114.7	86%	0.864	59%	0.594	S	S	*	*	S	Bend	trans	-76.9	85	164	-110.9	-176	-177.4	0	0	109	S84	E82-S84 PolarHBondContact O-N 3.42Å; E82-S84 VanDerWaalsContact O-N 3.08Å
83	S	57.7	Low	64.2	Low	60 Å²	60	114.4 Å²	114.4	42%	0.42	59%	0.586	S	S	.	*			trans	-37.8	117.2	170.1	60.2	0	0	0	0	109.9	E81 V85	E81-S83 PolarHBondContact O-N 3.14Å; S83-V85 WeakPolarHBondContact O-CG2 3.34Å; S83-V85 PolarHBondContact O-N 3.31Å
84	S	66.3	Low	64.7	Low	98 Å²	98	118.9 Å²	118.9	69%	0.685	59%	0.593	S	S	*	*			trans	-55.5	105	-174.9	57.8	0	0	0	0	110.3	E82 P167	E82-S84 PolarHBondContact O-N 3.42Å; E82-S84 VanDerWaalsContact O-N 3.08Å; S84-P167 VanDerWaalsContact O-CD 3.27Å; S84-P167 WeakPolarHBondContact O-CD 3.45Å
85	V	78.2	Confident	65.9	Low	70 Å²	70	114.2 Å²	114.2	42%	0.424	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-76.3	130.4	-176.1	-178.8	0	0	0	0	109.7	S83 K164 V166	S83-V85 WeakPolarHBondContact O-CG2 3.34Å; S83-V85 PolarHBondContact O-N 3.31Å; V85-K164 HydrophobicContact CG1-CB 4.49Å; V85-K164 HydrophobicContact CG1-CD 3.98Å; V85-K164 HydrophobicContact CG1-CG 3.19Å; V85-V166 HydrophobicContact CG2-CG2 4.47Å
86	K	83.8	Confident	66.9	Low	71 Å²	71	112.9 Å²	112.9	31%	0.309	56%	0.558	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.1	123.3	178.3	-169.9	-179.8	-179.3	-176	0	110.2	I88 L127 V165 P167	K86-I88 HydrophobicContact CD-CD1 4.1Å; K86-I88 HydrophobicContact CD-CG1 4.16Å; K86-I88 HydrophobicContact CG-CD1 4.31Å; K86-I88 HydrophobicContact CG-CG1 3.96Å; K86-L127 WeakPolarHBondContact CE-O 3.49Å; K86-L127 PolarHBondContact NZ-O 2.92Å; K86-V165 HydrophobicContact CB-CG2 4.02Å; K86-V165 PolarHBondContact N-O 3.3Å; K86-V165 PolarHBondContact O-N 3.05Å; K86-P167 HydrophobicContact CB-CG 4.15Å
87	I	84.8	Confident	68.1	Low	127 Å²	127	104.5 Å²	104.5	65%	0.651	52%	0.52	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.8	122.1	173.8	-58.5	175.8	0	0	0	108.9	T162 F163	I87-T162 HydrophobicContact CG2-CG2 3.52Å; I87-F163 CarbonylContact C-O 3.59Å; I87-F163 WeakPolarHBondContact CA-O 3.24Å
88	I	84.9	Confident	69.7	Low	3 Å²	3	94.1 Å²	94.1	2%	0.015	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	126.2	-174	-59.5	167.9	0	0	0	109.1	K86 L90 L127 I128 T162 F163 V165	K86-I88 HydrophobicContact CD-CD1 4.1Å; K86-I88 HydrophobicContact CD-CG1 4.16Å; K86-I88 HydrophobicContact CG-CD1 4.31Å; K86-I88 HydrophobicContact CG-CG1 3.96Å; I88-L90 HydrophobicContact CG2-CD1 3.78Å; I88-L90 HydrophobicContact CG2-CG 4.16Å; I88-L127 HydrophobicContact CB-CB 4.44Å; I88-L127 HydrophobicContact CD1-CB 4.16Å; I88-L127 WeakPolarHBondContact CD1-O 3.05Å; I88-L127 HydrophobicContact CG1-CB 4.14Å; I88-L127 HydrophobicContact CG2-CB 3.52Å; I88-L127 HydrophobicContact CG2-CD1 3.94Å; I88-L127 HydrophobicContact CG2-CG 4.34Å; I88-I128 HydrophobicContact CD1-CB 4.48Å; I88-I128 HydrophobicContact CD1-CD1 4.47Å; I88-I128 HydrophobicContact CD1-CG1 3.5Å; I88-I128 VanDerWaalsContact CD1-CG1 3.5Å; I88-I128 HydrophobicContact CG2-CD1 4.46Å; I88-I128 HydrophobicContact CG2-CG1 4.12Å; I88-T162 CarbonylContact O-C 3.58Å; I88-T162 WeakPolarHBondContact O-CA 3.45Å; I88-F163 HydrophobicContact CB-CB 4.36Å; I88-F163 PolarHBondContact N-O 2.95Å; I88-F163 PolarHBondContact O-N 2.81Å; I88-V165 HydrophobicContact CD1-CG1 4.45Å; I88-V165 HydrophobicContact CD1-CG2 3.43Å; I88-V165 VanDerWaalsContact CD1-CG2 3.43Å; I88-V165 HydrophobicContact CG1-CG2 4.3Å
89	R	84.5	Confident	71.8	Confident	180 Å²	180	90.2 Å²	90.2	68%	0.679	47%	0.466	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	117.9	176	-167.6	171.6	170.6	166.2	-0.5	110.1	A160 I161	R89-A160 HydrophobicContact CG-CB 4.21Å; R89-I161 CarbonylContact C-O 3.54Å; R89-I161 WeakPolarHBondContact CA-O 3.28Å
90	L	81.7	Confident	73.9	Confident	3 Å²	3	84.8 Å²	84.8	2%	0.016	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.7	-177.8	-88.6	143.2	0	0	0	110.1	I88 L97 S124 I128 A160 I161 F163	I88-L90 HydrophobicContact CG2-CD1 3.78Å; I88-L90 HydrophobicContact CG2-CG 4.16Å; L90-L97 HydrophobicContact CB-CD2 4.42Å; L90-S124 WeakPolarHBondContact CD2-OG 3.31Å; L90-I128 HydrophobicContact CD1-CD1 3.3Å; L90-I128 HydrophobicContact CD1-CG1 4.09Å; L90-A160 CarbonylContact O-C 3.46Å; L90-A160 WeakPolarHBondContact O-CA 3.37Å; L90-I161 PolarHBondContact N-O 3.26Å; L90-I161 PolarHBondContact O-N 3.33Å; L90-F163 HydrophobicContact CB-CE2 4.33Å; L90-F163 HydrophobicContact CD1-CD2 3.76Å; L90-F163 HydrophobicContact CD1-CE2 3.78Å
91	V	80.9	Confident	76	Confident	97 Å²	97	79 Å²	79	59%	0.588	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	114.5	174.1	-177	0	0	0	0	108.8
92	K	73.2	Confident	77.8	Confident	26 Å²	26	76.6 Å²	76.6	11%	0.113	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	123.5	177	-167.5	-176.2	171.6	-177.2	0	110.5	E95 L97 L154 G159 I161	K92-E95 WeakPolarHBondContact CE-O 3.41Å; K92-L97 HydrophobicContact CB-CD2 3.89Å; K92-L97 HydrophobicContact CD-CD2 4.27Å; K92-L97 HydrophobicContact CD-CG 4.08Å; K92-L97 HydrophobicContact CG-CD2 3.87Å; K92-L97 HydrophobicContact CG-CG 4.16Å; K92-L154 VanDerWaalsContact NZ-C 3.3Å; K92-L154 PolarHBondContact NZ-O 3.16Å; K92-G159 PolarHBondContact N-O 2.92Å; K92-G159 PolarHBondContact O-N 3.18Å; K92-G159 VanDerWaalsContact O-N 3.1Å; K92-I161 HydrophobicContact CB-CD1 3.62Å; K92-I161 HydrophobicContact CB-CG1 4.07Å; K92-I161 HydrophobicContact CD-CD1 3.42Å; K92-I161 VanDerWaalsContact CD-CD1 3.42Å; K92-I161 HydrophobicContact CG-CD1 4.09Å
93	N	72.9	Confident	79.6	Confident	100 Å²	100	72.7 Å²	72.7	54%	0.535	37%	0.369	S	S	.	.			trans	-91.7	-164.7	170.9	-67.6	-20.8	0	0	0	110.7	E95	N93-E95 HydrophobicContact CB-CG 4.4Å; N93-E95 PolarHBondContact O-N 3.18Å
94	K	70.9	Confident	80.9	Confident	216 Å²	216	71.8 Å²	71.8	94%	0.939	36%	0.359	S	S	*	.	S	Bend	trans	-62.4	-8.4	172.8	-66.3	-175.8	178.8	-179.6	0	114
95	E	74.9	Confident	81.5	Confident	51 Å²	51	74.5 Å²	74.5	24%	0.238	37%	0.366	C	S	.	.	S	Bend	trans	-90.9	154.1	177.8	72.7	-174.6	147.3	0	0	112	K92 N93 R123	K92-E95 WeakPolarHBondContact CE-O 3.41Å; N93-E95 HydrophobicContact CB-CG 4.4Å; N93-E95 PolarHBondContact O-N 3.18Å; E95-R123 IonicContact OE1-CZ 3.76Å; E95-R123 IonicContact OE1-NH1 3.64Å; E95-R123 IonicContact OE1-NH2 3.69Å; E95-R123 PolarHBondContact OE1-NH2 2.82Å; E95-R123 IonicContact OE2-NH1 2.75Å; E95-R123 IonicContact OE2-NH2 3.04Å
96	P	79.3	Confident	81.5	Confident	63 Å²	63	79.9 Å²	79.9	41%	0.409	39%	0.387	S	S	.	.			trans	-66	151.6	170.6	27.6	-33.4	0	0	0	111	G98	P96-G98 PolarHBondContact O-N 3.37Å; P96-G98 VanDerWaalsContact O-N 3.1Å
97	L	80.9	Confident	81.3	Confident	18 Å²	18	81 Å²	81	9%	0.094	40%	0.4	C	S	.	.			trans	-60.5	-25.5	-176.8	-71.3	169.1	0	0	0	113.2	L90 K92 A120 A121 L154 I161 F163	L90-L97 HydrophobicContact CB-CD2 4.42Å; K92-L97 HydrophobicContact CB-CD2 3.89Å; K92-L97 HydrophobicContact CD-CD2 4.27Å; K92-L97 HydrophobicContact CD-CG 4.08Å; K92-L97 HydrophobicContact CG-CD2 3.87Å; K92-L97 HydrophobicContact CG-CG 4.16Å; L97-A120 HydrophobicContact CD2-CB 4.37Å; L97-A120 PolarHBondContact O-N 3.5Å; L97-A120 VanDerWaalsContact O-N 3.07Å; L97-A121 WeakPolarHBondContact O-CB 3.34Å; L97-A121 PolarHBondContact O-N 3.04Å; L97-L154 HydrophobicContact CD1-CD1 4.4Å; L97-L154 HydrophobicContact CD1-CD2 4.03Å; L97-I161 HydrophobicContact CD1-CD1 4.32Å; L97-F163 HydrophobicContact CD1-CE2 4.02Å; L97-F163 HydrophobicContact CD1-CZ 3.63Å
98	G	82.8	Confident	81	Confident	3 Å²	3	75.6 Å²	75.6	3%	0.031	38%	0.375	C	S	.	.	S	Bend	trans	78.7	39.1	-178.4	0	0	0	0	0	112.7	P96 M116	P96-G98 PolarHBondContact O-N 3.37Å; P96-G98 VanDerWaalsContact O-N 3.1Å; G98-M116 WeakPolarHBondContact O-CA 3.48Å; G98-M116 VanDerWaalsContact O-CB 3.24Å; G98-M116 WeakPolarHBondContact O-CB 3.25Å; G98-M116 PolarHBondContact O-N 3.16Å
99	A	85.9	Confident	81	Confident	42 Å²	42	75.8 Å²	75.8	35%	0.347	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.6	167.6	0	0	0	0	0	108.7	R114 I115 A121	A99-R114 CarbonylContact C-O 3.55Å; A99-R114 VanDerWaalsContact CA-O 3.29Å; A99-R114 WeakPolarHBondContact CA-O 3.34Å; A99-I115 HydrophobicContact CB-CD1 3.75Å; A99-A121 HydrophobicContact CB-CB 4.31Å
100	T	85.9	Confident	81.1	Confident	26 Å²	26	67.3 Å²	67.3	16%	0.16	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	143.2	171.3	64.4	0	0	0	0	109.3	A113 R114	T100-A113 PolarHBondContact O-N 2.86Å; T100-R114 PolarHBondContact N-O 2.86Å; T100-R114 PolarHBondContact O-N 3.36Å; T100-R114 WeakPolarHBondContact OG1-CB 3.33Å; T100-R114 PolarHBondContact OG1-N 2.83Å
101	I	88.1	Confident	81.4	Confident	46 Å²	46	68.9 Å²	68.9	24%	0.236	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	147.7	178.7	56.5	172.7	0	0	0	109.4	I110 F111 P147 I150	I101-I110 HydrophobicContact CB-CG2 4.04Å; I101-I110 HydrophobicContact CD1-CG2 4.29Å; I101-I110 HydrophobicContact CG2-CG2 4.42Å; I101-F111 CarbonylContact C-O 3.59Å; I101-F111 WeakPolarHBondContact CA-O 3.39Å; I101-P147 HydrophobicContact CD1-CB 4.24Å; I101-P147 HydrophobicContact CG1-CB 4.45Å; I101-I150 HydrophobicContact CD1-CB 3.96Å; I101-I150 HydrophobicContact CD1-CD1 3.92Å; I101-I150 HydrophobicContact CD1-CG2 3.89Å
102	R	86.8	Confident	81.7	Confident	123 Å²	123	64.6 Å²	64.6	46%	0.464	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	144.2	170.6	67.1	-177.2	-174.2	95.7	3.6	108.7	F111 A113	R102-F111 HydrophobicContact CG-CB 4.07Å; R102-F111 PolarHBondContact N-O 2.69Å; R102-F111 PolarHBondContact O-N 3.1Å; R102-A113 HydrophobicContact CB-CB 3.99Å; R102-A113 HydrophobicContact CG-CB 3.94Å
103	R	87.1	Confident	82.3	Confident	103 Å²	103	65.2 Å²	65.2	39%	0.389	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	139.8	167.7	-170.6	177.8	-172.8	-143	4.5	108.4	G108 I110 P147	R103-G108 PolarHBondContact NE-O 3.26Å; R103-I110 HydrophobicContact CG-CG1 4.49Å; R103-P147 HydrophobicContact CB-CG 3.99Å
104	D	84.7	Confident	82.8	Confident	41 Å²	41	62.9 Å²	62.9	22%	0.219	32%	0.32	C	S	.	.			trans	-86.7	130.3	169.3	-172.6	57.9	0	0	0	109.9	E106 T107 G108 A109 F111	D104-E106 VanDerWaalsContact C-N 3.34Å; D104-T107 WeakPolarHBondContact CB-OG1 3.24Å; D104-T107 WeakPolarHBondContact OD2-CB 3.24Å; D104-T107 PolarHBondContact OD2-N 2.67Å; D104-T107 VanDerWaalsContact OD2-N 3.11Å; D104-T107 PolarHBondContact OD2-OG1 2.94Å; D104-G108 WeakPolarHBondContact O-CA 3.44Å; D104-G108 PolarHBondContact O-N 3.14Å; D104-A109 PolarHBondContact N-O 3.4Å; D104-F111 HydrophobicContact CB-CD2 4.08Å; D104-F111 HydrophobicContact CB-CE2 3.71Å
105	D	78.6	Confident	83.5	Confident	155 Å²	155	53.6 Å²	53.6	83%	0.829	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-23.8	-172.4	-69	-36.6	0	0	0	112.4
106	E	79.2	Confident	83.9	Confident	184 Å²	184	51.2 Å²	51.2	86%	0.86	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.2	-48.1	-178.9	-62.5	-177.3	179.6	0	0	111.9	D104	D104-E106 VanDerWaalsContact C-N 3.34Å
107	T	79.3	Confident	84.1	Confident	95 Å²	95	50.7 Å²	50.7	58%	0.583	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-15.7	-176.4	59.3	0	0	0	0	113.6	D104 A109	D104-T107 WeakPolarHBondContact CB-OG1 3.24Å; D104-T107 WeakPolarHBondContact OD2-CB 3.24Å; D104-T107 PolarHBondContact OD2-N 2.67Å; D104-T107 VanDerWaalsContact OD2-N 3.11Å; D104-T107 PolarHBondContact OD2-OG1 2.94Å; T107-A109 PolarHBondContact O-N 2.68Å; T107-A109 VanDerWaalsContact O-N 3.13Å; T107-A109 WeakPolarHBondContact OG1-CB 3.49Å; T107-A109 PolarHBondContact OG1-N 3.35Å
108	G	78.9	Confident	84	Confident	13 Å²	13	50.4 Å²	50.4	13%	0.134	26%	0.261	C	S	.	.			trans	71.7	-6.5	-172.2	0	0	0	0	0	114.1	R103 D104	R103-G108 PolarHBondContact NE-O 3.26Å; D104-G108 WeakPolarHBondContact O-CA 3.44Å; D104-G108 PolarHBondContact O-N 3.14Å
109	A	84.1	Confident	83.9	Confident	7 Å²	7	50.3 Å²	50.3	6%	0.058	26%	0.259	C	S	.	.			trans	-68.9	154.8	-177	0	0	0	0	0	112.3	D104 T107 F111 E133	D104-A109 PolarHBondContact N-O 3.4Å; T107-A109 PolarHBondContact O-N 2.68Å; T107-A109 VanDerWaalsContact O-N 3.13Å; T107-A109 WeakPolarHBondContact OG1-CB 3.49Å; T107-A109 PolarHBondContact OG1-N 3.35Å; A109-F111 HydrophobicContact CB-CE2 3.66Å; A109-F111 HydrophobicContact CB-CZ 3.84Å; A109-E133 HydrophobicContact CB-CG 4.31Å; A109-E133 WeakPolarHBondContact CB-OE1 3.3Å
110	I	87.6	Confident	83.7	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	119.6	-172.8	-57.2	-171.2	0	0	0	109.7	I101 R103 E133 V134 V142 K145 I150	I101-I110 HydrophobicContact CB-CG2 4.04Å; I101-I110 HydrophobicContact CD1-CG2 4.29Å; I101-I110 HydrophobicContact CG2-CG2 4.42Å; R103-I110 HydrophobicContact CG-CG1 4.49Å; I110-E133 CarbonylContact O-C 3.59Å; I110-E133 WeakPolarHBondContact O-CA 3.4Å; I110-V134 PolarHBondContact O-N 3.01Å; I110-V142 HydrophobicContact CD1-CB 4.29Å; I110-V142 HydrophobicContact CD1-CG1 3.6Å; I110-V142 WeakPolarHBondContact CD1-O 3.43Å; I110-K145 WeakPolarHBondContact CD1-O 3.43Å; I110-I150 HydrophobicContact CD1-CD1 3.08Å; I110-I150 HydrophobicContact CD1-CG1 4.45Å; I110-I150 HydrophobicContact CG1-CD1 4.45Å; I110-I150 HydrophobicContact CG2-CD1 4.34Å
111	F	87.7	Confident	83.5	Confident	37 Å²	37	47.6 Å²	47.6	16%	0.162	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	144.4	-177.1	-61.1	-84.2	0	0	0	110.5	I101 R102 D104 A109 A113 D132 E133	I101-F111 CarbonylContact C-O 3.59Å; I101-F111 WeakPolarHBondContact CA-O 3.39Å; R102-F111 HydrophobicContact CG-CB 4.07Å; R102-F111 PolarHBondContact N-O 2.69Å; R102-F111 PolarHBondContact O-N 3.1Å; D104-F111 HydrophobicContact CB-CD2 4.08Å; D104-F111 HydrophobicContact CB-CE2 3.71Å; A109-F111 HydrophobicContact CB-CE2 3.66Å; A109-F111 HydrophobicContact CB-CZ 3.84Å; F111-A113 PolarHBondContact O-N 3.37Å; F111-A113 VanDerWaalsContact O-N 3.14Å; F111-D132 CarbonylContact C-O 3.59Å; F111-D132 WeakPolarHBondContact CA-O 3.38Å; F111-E133 HydrophobicContact CD1-CB 3.89Å; F111-E133 HydrophobicContact CD1-CG 4.13Å; F111-E133 HydrophobicContact CE1-CB 3.69Å; F111-E133 HydrophobicContact CE1-CG 3.74Å; F111-E133 HydrophobicContact CZ-CG 4.14Å
112	V	87.6	Confident	83.3	Confident	6 Å²	6	47.1 Å²	47.1	4%	0.036	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	111.1	165.9	-179.5	0	0	0	0	107.8	I115 I128 H129 S130 G131 D132 V134	V112-I115 HydrophobicContact CG1-CD1 3.66Å; V112-I115 HydrophobicContact CG1-CG1 4.43Å; V112-I128 HydrophobicContact CB-CG2 4.34Å; V112-I128 HydrophobicContact CG1-CG2 4.06Å; V112-I128 HydrophobicContact CG2-CG2 3.72Å; V112-H129 WeakPolarHBondContact CB-O 3.28Å; V112-H129 WeakPolarHBondContact CG1-O 3.29Å; V112-S130 CarbonylContact O-C 3.55Å; V112-S130 WeakPolarHBondContact O-CA 3.34Å; V112-G131 PolarHBondContact O-N 3.12Å; V112-D132 HydrophobicContact CG2-CB 4.23Å; V112-D132 PolarHBondContact N-O 2.87Å; V112-V134 HydrophobicContact CG2-CG2 3.77Å
113	A	84.2	Confident	82.9	Confident	40 Å²	40	47.1 Å²	47.1	33%	0.331	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-40	-179.1	0	0	0	0	0	111.6	T100 R102 F111	T100-A113 PolarHBondContact O-N 2.86Å; R102-A113 HydrophobicContact CB-CB 3.99Å; R102-A113 HydrophobicContact CG-CB 3.94Å; F111-A113 PolarHBondContact O-N 3.37Å; F111-A113 VanDerWaalsContact O-N 3.14Å
114	R	84.3	Confident	82.1	Confident	50 Å²	50	43.9 Å²	43.9	19%	0.189	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.6	147.9	-176.8	-169.5	176.8	-58.7	-123	-6.3	112.4	A99 T100 D218 W221	A99-R114 CarbonylContact C-O 3.55Å; A99-R114 VanDerWaalsContact CA-O 3.29Å; A99-R114 WeakPolarHBondContact CA-O 3.34Å; T100-R114 PolarHBondContact N-O 2.86Å; T100-R114 PolarHBondContact O-N 3.36Å; T100-R114 WeakPolarHBondContact OG1-CB 3.33Å; T100-R114 PolarHBondContact OG1-N 2.83Å; R114-D218 IonicContact CZ-OD2 3.33Å; R114-D218 VanDerWaalsContact CZ-OD2 3.3Å; R114-D218 IonicContact NH1-OD2 3.53Å; R114-D218 PolarHBondContact NH1-OD2 3.05Å; R114-D218 VanDerWaalsContact NH1-OD2 3.16Å; R114-D218 VanDerWaalsContact NH2-CG 3.33Å; R114-D218 IonicContact NH2-OD2 3.71Å; R114-D218 PolarHBondContact NH2-OD2 2.71Å; R114-W221 PolarHBondContact NH1-O 2.95Å
115	I	86.1	Confident	81.2	Confident	22 Å²	22	44.8 Å²	44.8	11%	0.113	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	127.4	166.8	-56.7	-57.4	0	0	0	109.7	A99 V112 A121 D122 I128 Q223	A99-I115 HydrophobicContact CB-CD1 3.75Å; V112-I115 HydrophobicContact CG1-CD1 3.66Å; V112-I115 HydrophobicContact CG1-CG1 4.43Å; I115-A121 HydrophobicContact CD1-CB 4.37Å; I115-A121 HydrophobicContact CG2-CB 4.36Å; I115-D122 HydrophobicContact CG2-CB 3.93Å; I115-I128 HydrophobicContact CD1-CB 4.39Å; I115-I128 HydrophobicContact CD1-CG2 3.96Å; I115-Q223 PolarHBondContact O-NE2 3.5Å; I115-Q223 PolarHBondContact O-OE1 3.02Å
116	M	83.9	Confident	80.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-84.1	119.5	176.6	-56.9	-62.3	-62.1	0	0	109.9	G98 G118 G119 A201 Q223 A234 L236	G98-M116 WeakPolarHBondContact O-CA 3.48Å; G98-M116 VanDerWaalsContact O-CB 3.24Å; G98-M116 WeakPolarHBondContact O-CB 3.25Å; G98-M116 PolarHBondContact O-N 3.16Å; M116-G118 PolarHBondContact O-N 2.92Å; M116-G119 PolarHBondContact O-N 3.34Å; M116-G119 VanDerWaalsContact O-N 3.14Å; M116-A201 HydrophobicContact CE-CB 4.27Å; M116-Q223 VanDerWaalsContact CA-OE1 3.29Å; M116-A234 WeakPolarHBondContact CE-O 3.39Å; M116-L236 HydrophobicContact CE-CD2 4.07Å; M116-L236 HydrophobicContact CE-CG 4.1Å; M116-L236 HydrophobicContact SD-CD2 4.26Å
117	R	82.8	Confident	80.2	Confident	52 Å²	52	36.9 Å²	36.9	20%	0.196	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	136.1	178.5	-64.8	-63.6	-176	-164.7	-2.9	110.8	G119 D122 M214 E217 A234	R117-G119 PolarHBondContact O-N 3.25Å; R117-D122 WeakPolarHBondContact CA-OD2 3.46Å; R117-D122 IonicContact CZ-OD1 2.73Å; R117-D122 IonicContact NH1-OD1 3.24Å; R117-D122 PolarHBondContact NH1-OD1 3.4Å; R117-M214 HydrophobicContact CB-CB 3.85Å; R117-M214 HydrophobicContact CB-SD 4.43Å; R117-M214 HydrophobicContact CG-CB 4.12Å; R117-E217 IonicContact CZ-OE1 3.6Å; R117-E217 IonicContact NE-OE1 3.31Å; R117-E217 IonicContact NH2-OE1 3.55Å; R117-E217 PolarHBondContact NH2-OE1 3.25Å; R117-A234 HydrophobicContact CB-CB 4.1Å; R117-A234 WeakPolarHBondContact O-CB 3.31Å; R117-A234 PolarHBondContact O-N 3.48Å
118	G	78.6	Confident	80.2	Confident	13 Å²	13	33 Å²	33	13%	0.134	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	0.8	-177.8	0	0	0	0	0	115.6	M116 D122 R123	M116-G118 PolarHBondContact O-N 2.92Å; G118-D122 PolarHBondContact N-OD2 3.48Å; G118-R123 PolarHBondContact O-NH1 3.45Å
119	G	81.6	Confident	80.3	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.189	C	C	.	.	S	Bend	trans	-79.2	171.9	169.9	0	0	0	0	0	113.4	M116 R117 A121 D122 R123	M116-G119 PolarHBondContact O-N 3.34Å; M116-G119 VanDerWaalsContact O-N 3.14Å; R117-G119 PolarHBondContact O-N 3.25Å; G119-A121 VanDerWaalsContact C-N 3.28Å; G119-A121 PolarHBondContact O-N 3.24Å; G119-D122 PolarHBondContact O-N 3.28Å; G119-R123 WeakPolarHBondContact O-CG 3.49Å; G119-R123 PolarHBondContact O-N 2.75Å
120	A	81	Confident	80.2	Confident	9 Å²	9	36.9 Å²	36.9	7%	0.074	20%	0.197	C	C	.	.	H	α-helix	trans	-60.6	-35.6	179.9	0	0	0	0	0	113	L97 R123 S124	L97-A120 HydrophobicContact CD2-CB 4.37Å; L97-A120 PolarHBondContact O-N 3.5Å; L97-A120 VanDerWaalsContact O-N 3.07Å; A120-R123 PolarHBondContact O-N 3.23Å; A120-S124 WeakPolarHBondContact O-CB 3.42Å; A120-S124 PolarHBondContact O-N 2.85Å
121	A	82.4	Confident	79.9	Confident	2 Å²	2	38.1 Å²	38.1	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-63.4	-44.9	175.7	0	0	0	0	0	112.1	L97 A99 I115 G119 S124	L97-A121 WeakPolarHBondContact O-CB 3.34Å; L97-A121 PolarHBondContact O-N 3.04Å; A99-A121 HydrophobicContact CB-CB 4.31Å; I115-A121 HydrophobicContact CD1-CB 4.37Å; I115-A121 HydrophobicContact CG2-CB 4.36Å; G119-A121 VanDerWaalsContact C-N 3.28Å; G119-A121 PolarHBondContact O-N 3.24Å; A121-S124 PolarHBondContact O-N 2.96Å; A121-S124 PolarHBondContact O-OG 3.1Å
122	D	82.3	Confident	79.9	Confident	36 Å²	36	36.5 Å²	36.5	19%	0.193	20%	0.203	C	C	.	.	H	α-helix	trans	-67.9	-41.5	177.3	-173.6	56	0	0	0	111.6	I115 R117 G118 G119 S124	I115-D122 HydrophobicContact CG2-CB 3.93Å; R117-D122 WeakPolarHBondContact CA-OD2 3.46Å; R117-D122 IonicContact CZ-OD1 2.73Å; R117-D122 IonicContact NH1-OD1 3.24Å; R117-D122 PolarHBondContact NH1-OD1 3.4Å; G118-D122 PolarHBondContact N-OD2 3.48Å; G119-D122 PolarHBondContact O-N 3.28Å; D122-S124 VanDerWaalsContact C-N 3.28Å; D122-S124 PolarHBondContact O-N 3.13Å
123	R	78.1	Confident	79.9	Confident	123 Å²	123	38 Å²	38	46%	0.464	21%	0.21	S	C	.	.	H	α-helix	trans	-71	-19.6	179.1	-64.8	-174.2	-43.9	-110.3	3.4	114.1	E95 G118 G119 A120 G125	E95-R123 IonicContact OE1-CZ 3.76Å; E95-R123 IonicContact OE1-NH1 3.64Å; E95-R123 IonicContact OE1-NH2 3.69Å; E95-R123 PolarHBondContact OE1-NH2 2.82Å; E95-R123 IonicContact OE2-NH1 2.75Å; E95-R123 IonicContact OE2-NH2 3.04Å; G118-R123 PolarHBondContact O-NH1 3.45Å; G119-R123 WeakPolarHBondContact O-CG 3.49Å; G119-R123 PolarHBondContact O-N 2.75Å; A120-R123 PolarHBondContact O-N 3.23Å; R123-G125 PolarHBondContact O-N 2.85Å
124	S	72	Confident	80.1	Confident	36 Å²	36	36.4 Å²	36.4	25%	0.252	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	6	177.9	73.7	0	0	0	0	114.7	L90 A120 A121 D122	L90-S124 WeakPolarHBondContact CD2-OG 3.31Å; A120-S124 WeakPolarHBondContact O-CB 3.42Å; A120-S124 PolarHBondContact O-N 2.85Å; A121-S124 PolarHBondContact O-N 2.96Å; A121-S124 PolarHBondContact O-OG 3.1Å; D122-S124 VanDerWaalsContact C-N 3.28Å; D122-S124 PolarHBondContact O-N 3.13Å
125	G	64.3	Low	80.3	Confident	59 Å²	59	37.1 Å²	37.1	61%	0.608	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.6	33	175.7	0	0	0	0	0	113.5	R123 L127	R123-G125 PolarHBondContact O-N 2.85Å; G125-L127 PolarHBondContact O-N 2.88Å
126	R	64	Low	80.4	Confident	112 Å²	112	38.8 Å²	38.8	42%	0.423	21%	0.208	S	C	.	.	S	Bend	trans	61.4	41	173.9	-51.7	178.4	-179.5	-167.4	0.1	113.5	I128 H129 S174	R126-I128 VanDerWaalsContact C-N 3.3Å; R126-H129 PolarHBondContact O-CE1 2.74Å; R126-H129 PolarHBondContact O-NE2 2.98Å; R126-S174 PolarHBondContact NH1-OG 2.96Å; R126-S174 PolarHBondContact NH2-OG 3.28Å
127	L	73.1	Confident	80.6	Confident	61 Å²	61	39 Å²	39	32%	0.319	21%	0.209	S	C	.	.			trans	-70.1	-33.1	172.8	-67.2	170.6	0	0	0	111.2	K86 I88 G125	K86-L127 WeakPolarHBondContact CE-O 3.49Å; K86-L127 PolarHBondContact NZ-O 2.92Å; I88-L127 HydrophobicContact CB-CB 4.44Å; I88-L127 HydrophobicContact CD1-CB 4.16Å; I88-L127 WeakPolarHBondContact CD1-O 3.05Å; I88-L127 HydrophobicContact CG1-CB 4.14Å; I88-L127 HydrophobicContact CG2-CB 3.52Å; I88-L127 HydrophobicContact CG2-CD1 3.94Å; I88-L127 HydrophobicContact CG2-CG 4.34Å; G125-L127 PolarHBondContact O-N 2.88Å
128	I	80.8	Confident	80.7	Confident	13 Å²	13	39.4 Å²	39.4	7%	0.067	22%	0.215	C	C	.	.	S	Bend	trans	-111	134.5	177.6	-57.5	-178.7	0	0	0	110	I88 L90 V112 I115 R126 F163	I88-I128 HydrophobicContact CD1-CB 4.48Å; I88-I128 HydrophobicContact CD1-CD1 4.47Å; I88-I128 HydrophobicContact CD1-CG1 3.5Å; I88-I128 VanDerWaalsContact CD1-CG1 3.5Å; I88-I128 HydrophobicContact CG2-CD1 4.46Å; I88-I128 HydrophobicContact CG2-CG1 4.12Å; L90-I128 HydrophobicContact CD1-CD1 3.3Å; L90-I128 HydrophobicContact CD1-CG1 4.09Å; V112-I128 HydrophobicContact CB-CG2 4.34Å; V112-I128 HydrophobicContact CG1-CG2 4.06Å; V112-I128 HydrophobicContact CG2-CG2 3.72Å; I115-I128 HydrophobicContact CD1-CB 4.39Å; I115-I128 HydrophobicContact CD1-CG2 3.96Å; R126-I128 VanDerWaalsContact C-N 3.3Å; I128-F163 HydrophobicContact CD1-CD2 4.3Å; I128-F163 HydrophobicContact CD1-CG 4.38Å
129	H	80.1	Confident	80.8	Confident	69 Å²	69	41.5 Å²	41.5	32%	0.319	24%	0.237	S	C	.	.			trans	-116.2	161.2	176.3	-58.1	92.6	0	0	0	112.2	V112 R126 G131 D132	V112-H129 WeakPolarHBondContact CB-O 3.28Å; V112-H129 WeakPolarHBondContact CG1-O 3.29Å; R126-H129 PolarHBondContact O-CE1 2.74Å; R126-H129 PolarHBondContact O-NE2 2.98Å; H129-G131 PolarHBondContact O-N 2.93Å; H129-D132 PolarHBondContact N-OD2 3.16Å; H129-D132 IonicContact ND1-OD2 3.41Å; H129-D132 WeakPolarHBondContact O-CB 3.42Å; H129-D132 PolarHBondContact O-N 3Å
130	S	82.6	Confident	81	Confident	33 Å²	33	44.5 Å²	44.5	23%	0.231	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	127.8	167.9	48.4	0	0	0	0	110.1	V112	V112-S130 CarbonylContact O-C 3.55Å; V112-S130 WeakPolarHBondContact O-CA 3.34Å
131	G	80.9	Confident	81.3	Confident	28 Å²	28	47.9 Å²	47.9	29%	0.289	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	102.1	-9.9	-174.4	0	0	0	0	0	114.1	V112 H129 E133	V112-G131 PolarHBondContact O-N 3.12Å; H129-G131 PolarHBondContact O-N 2.93Å; G131-E133 PolarHBondContact O-N 3.34Å
132	D	86.8	Confident	81.4	Confident	3 Å²	3	48 Å²	48	2%	0.016	27%	0.274	C	S	.	.			trans	-64.6	133	173.6	-70.4	-6.1	0	0	0	110.3	F111 V112 H129 V165 V166 P167 G168	F111-D132 CarbonylContact C-O 3.59Å; F111-D132 WeakPolarHBondContact CA-O 3.38Å; V112-D132 HydrophobicContact CG2-CB 4.23Å; V112-D132 PolarHBondContact N-O 2.87Å; H129-D132 PolarHBondContact N-OD2 3.16Å; H129-D132 IonicContact ND1-OD2 3.41Å; H129-D132 WeakPolarHBondContact O-CB 3.42Å; H129-D132 PolarHBondContact O-N 3Å; D132-V165 HydrophobicContact CB-CB 4.43Å; D132-V166 WeakPolarHBondContact CA-O 3.4Å; D132-P167 WeakPolarHBondContact OD1-CA 3.26Å; D132-G168 PolarHBondContact OD1-N 3.47Å
133	E	88.3	Confident	81.2	Confident	36 Å²	36	49.5 Å²	49.5	17%	0.168	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	127	175.1	-167.7	-174.2	166.4	0	0	109.8	A109 I110 F111 G131 K135 V165 V166	A109-E133 HydrophobicContact CB-CG 4.31Å; A109-E133 WeakPolarHBondContact CB-OE1 3.3Å; I110-E133 CarbonylContact O-C 3.59Å; I110-E133 WeakPolarHBondContact O-CA 3.4Å; F111-E133 HydrophobicContact CD1-CB 3.89Å; F111-E133 HydrophobicContact CD1-CG 4.13Å; F111-E133 HydrophobicContact CE1-CB 3.69Å; F111-E133 HydrophobicContact CE1-CG 3.74Å; F111-E133 HydrophobicContact CZ-CG 4.14Å; G131-E133 PolarHBondContact O-N 3.34Å; E133-K135 WeakPolarHBondContact OE1-CE 3.46Å; E133-K135 IonicContact OE1-NZ 2.88Å; E133-K135 PolarHBondContact OE1-NZ 3.43Å; E133-K135 IonicContact OE2-NZ 2.65Å; E133-V165 CarbonylContact O-C 3.59Å; E133-V165 WeakPolarHBondContact O-CA 3.44Å; E133-V165 WeakPolarHBondContact O-CB 3.42Å; E133-V166 HydrophobicContact CB-CB 4.23Å; E133-V166 PolarHBondContact N-O 3.06Å; E133-V166 PolarHBondContact O-N 3.02Å
134	V	88.7	Confident	81.2	Confident	7 Å²	7	51.2 Å²	51.2	4%	0.042	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	108.7	-178.5	-173	0	0	0	0	109.6	I110 V112 V137 V142 F163 V165	I110-V134 PolarHBondContact O-N 3.01Å; V112-V134 HydrophobicContact CG2-CG2 3.77Å; V134-V137 HydrophobicContact CG1-CG2 3.82Å; V134-V142 HydrophobicContact CG1-CG2 4.17Å; V134-F163 HydrophobicContact CG1-CD1 4.11Å; V134-V165 HydrophobicContact CG2-CG1 4.19Å
135	K	88.2	Confident	81.7	Confident	65 Å²	65	52.6 Å²	52.6	28%	0.283	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	-40.3	179.2	-68.5	-58.4	-162.4	-175.2	0	113.3	E133 P141 V142 D143 K164 V166	E133-K135 WeakPolarHBondContact OE1-CE 3.46Å; E133-K135 IonicContact OE1-NZ 2.88Å; E133-K135 PolarHBondContact OE1-NZ 3.43Å; E133-K135 IonicContact OE2-NZ 2.65Å; K135-P141 WeakPolarHBondContact O-CA 3.37Å; K135-V142 WeakPolarHBondContact O-CG2 3.23Å; K135-V142 PolarHBondContact O-N 2.99Å; K135-D143 IonicContact NZ-OD1 2.96Å; K135-K164 PolarHBondContact N-O 3.48Å; K135-V166 HydrophobicContact CG-CG2 4.1Å
136	E	88.9	Confident	82.7	Confident	57 Å²	57	55.3 Å²	55.3	27%	0.266	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	146.5	179.5	-57.4	166.6	-154.6	0	0	112.5	I140 F163 K164	E136-I140 CarbonylContact C-O 3.6Å; E136-I140 VanDerWaalsContact CA-O 3.31Å; E136-I140 WeakPolarHBondContact CA-O 3.11Å; E136-F163 WeakPolarHBondContact O-CA 3.44Å; E136-K164 HydrophobicContact CB-CB 3.81Å; E136-K164 HydrophobicContact CB-CD 4.35Å; E136-K164 HydrophobicContact CG-CB 4.34Å; E136-K164 HydrophobicContact CG-CD 4Å; E136-K164 PolarHBondContact N-O 3.22Å; E136-K164 PolarHBondContact O-N 3Å; E136-K164 VanDerWaalsContact OE1-CD 3.23Å; E136-K164 WeakPolarHBondContact OE1-CD 3.49Å; E136-K164 IonicContact OE1-NZ 2.81Å; E136-K164 PolarHBondContact OE1-NZ 2.92Å; E136-K164 WeakPolarHBondContact OE2-CD 3.26Å
137	V	87.8	Confident	83.7	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.03	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	119	171.4	-179.7	0	0	0	0	108.8	V134 G139 I140 V142 L154 I161 F163	V134-V137 HydrophobicContact CG1-CG2 3.82Å; V137-G139 PolarHBondContact O-N 3.06Å; V137-I140 PolarHBondContact N-O 2.82Å; V137-I140 WeakPolarHBondContact O-CB 3.44Å; V137-I140 PolarHBondContact O-N 2.94Å; V137-V142 HydrophobicContact CB-CG2 4.49Å; V137-V142 HydrophobicContact CG2-CG2 3.89Å; V137-L154 HydrophobicContact CG1-CD2 3.6Å; V137-L154 HydrophobicContact CG1-CG 4.36Å; V137-I161 HydrophobicContact CG1-CG2 4.03Å; V137-F163 HydrophobicContact CB-CE1 4.49Å; V137-F163 HydrophobicContact CG1-CD1 4.49Å; V137-F163 HydrophobicContact CG1-CE1 4.07Å; V137-F163 HydrophobicContact CG1-CZ 4.45Å; V137-F163 HydrophobicContact CG2-CD1 3.74Å; V137-F163 HydrophobicContact CG2-CE1 3.69Å
138	N	85.1	Confident	84.3	Confident	60 Å²	60	54.7 Å²	54.7	32%	0.321	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	35.9	-176.1	-70.5	-17.4	0	0	0	113.6	I140 S157 I161 T162	N138-I140 PolarHBondContact O-N 3.03Å; N138-S157 PolarHBondContact ND2-OG 3.3Å; N138-I161 VanDerWaalsContact OD1-CA 3.24Å; N138-I161 WeakPolarHBondContact OD1-CA 3.1Å; N138-I161 WeakPolarHBondContact OD1-CG2 3.36Å; N138-T162 PolarHBondContact N-O 3.33Å; N138-T162 PolarHBondContact OD1-N 3.13Å
139	G	81	Confident	84.5	Confident	58 Å²	58	57.1 Å²	57.1	60%	0.598	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	77	5.5	-177	0	0	0	0	0	114.5	V137	V137-G139 PolarHBondContact O-N 3.06Å
140	I	85.4	Confident	84.7	Confident	63 Å²	63	54.1 Å²	54.1	32%	0.323	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	120.2	174.4	-56.8	173.1	0	0	0	108.3	E136 V137 N138 K145 I153	E136-I140 CarbonylContact C-O 3.6Å; E136-I140 VanDerWaalsContact CA-O 3.31Å; E136-I140 WeakPolarHBondContact CA-O 3.11Å; V137-I140 PolarHBondContact N-O 2.82Å; V137-I140 WeakPolarHBondContact O-CB 3.44Å; V137-I140 PolarHBondContact O-N 2.94Å; N138-I140 PolarHBondContact O-N 3.03Å; I140-K145 HydrophobicContact CG2-CD 4.37Å; I140-K145 VanDerWaalsContact CG2-CE 3.46Å; I140-I153 HydrophobicContact CD1-CG2 4.14Å
141	P	85.8	Confident	84.8	Confident	80 Å²	80	57.1 Å²	57.1	52%	0.519	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	144.8	176	27.6	-33.5	0	0	0	110.9	K135 K145	K135-P141 WeakPolarHBondContact O-CA 3.37Å; P141-K145 WeakPolarHBondContact O-CE 3.44Å
142	V	85.1	Confident	84.9	Confident	4 Å²	4	63.8 Å²	63.8	2%	0.024	33%	0.329	C	S	.	.			trans	-110.3	-10.7	-169.9	-144.7	0	0	0	0	114.1	I110 V134 K135 V137 D144 K145 I150	I110-V142 HydrophobicContact CD1-CB 4.29Å; I110-V142 HydrophobicContact CD1-CG1 3.6Å; I110-V142 WeakPolarHBondContact CD1-O 3.43Å; V134-V142 HydrophobicContact CG1-CG2 4.17Å; K135-V142 WeakPolarHBondContact O-CG2 3.23Å; K135-V142 PolarHBondContact O-N 2.99Å; V137-V142 HydrophobicContact CB-CG2 4.49Å; V137-V142 HydrophobicContact CG2-CG2 3.89Å; V142-D144 PolarHBondContact O-N 3.38Å; V142-D144 VanDerWaalsContact O-N 3.13Å; V142-K145 HydrophobicContact CG1-CB 4.31Å; V142-K145 PolarHBondContact O-N 2.85Å; V142-I150 HydrophobicContact CG1-CD1 3.15Å; V142-I150 HydrophobicContact CG1-CG1 3.36Å; V142-I150 HydrophobicContact CG1-CG2 4.43Å
143	D	78.7	Confident	84.9	Confident	68 Å²	68	65.1 Å²	65.1	36%	0.364	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-34.6	-173	-59.3	-41.6	0	0	0	113.6	K135	K135-D143 IonicContact NZ-OD1 2.96Å
144	D	78.1	Confident	84.6	Confident	159 Å²	159	64.6 Å²	64.6	85%	0.85	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	4.3	-178.6	-64.3	-43	0	0	0	114.6	V142	V142-D144 PolarHBondContact O-N 3.38Å; V142-D144 VanDerWaalsContact O-N 3.13Å
145	K	82.3	Confident	84.3	Confident	64 Å²	64	67.3 Å²	67.3	28%	0.278	36%	0.357	S	S	.	.			trans	-101.6	146	-170.8	-62.5	-168.1	-178.7	-133	0	112.5	I110 I140 P141 V142 D149 I150 I153	I110-K145 WeakPolarHBondContact CD1-O 3.43Å; I140-K145 HydrophobicContact CG2-CD 4.37Å; I140-K145 VanDerWaalsContact CG2-CE 3.46Å; P141-K145 WeakPolarHBondContact O-CE 3.44Å; V142-K145 HydrophobicContact CG1-CB 4.31Å; V142-K145 PolarHBondContact O-N 2.85Å; K145-D149 HydrophobicContact CB-CB 4.43Å; K145-I150 HydrophobicContact CB-CD1 4.33Å; K145-I150 HydrophobicContact CB-CG1 4.07Å; K145-I153 HydrophobicContact CD-CD1 3.91Å
146	K	84.9	Confident	84	Confident	117 Å²	117	72 Å²	72	51%	0.509	38%	0.38	S	S	.	.			trans	-75.4	152.2	170.2	-67.7	-179.5	179.9	-178.9	0	110.3	E148 D149 I150	K146-E148 PolarHBondContact O-N 3.19Å; K146-E148 VanDerWaalsContact O-N 3.1Å; K146-D149 PolarHBondContact N-OD2 3.42Å; K146-D149 PolarHBondContact O-N 3.32Å; K146-I150 WeakPolarHBondContact O-CG1 3.37Å; K146-I150 PolarHBondContact O-N 2.94Å
147	P	84.6	Confident	83.6	Confident	36 Å²	36	70.5 Å²	70.5	23%	0.234	38%	0.376	C	S	.	.	H	α-helix	trans	-48	-38.7	172.1	-30.3	37	0	0	0	113.6	I101 R103 D149 I150 I151	I101-P147 HydrophobicContact CD1-CB 4.24Å; I101-P147 HydrophobicContact CG1-CB 4.45Å; R103-P147 HydrophobicContact CB-CG 3.99Å; P147-D149 PolarHBondContact O-N 2.88Å; P147-I150 PolarHBondContact O-N 2.9Å; P147-I151 WeakPolarHBondContact O-CD1 3.31Å; P147-I151 VanDerWaalsContact O-CG1 3.23Å; P147-I151 WeakPolarHBondContact O-CG1 3.37Å; P147-I151 PolarHBondContact O-N 3.28Å
148	E	85.6	Confident	83.1	Confident	123 Å²	123	78.1 Å²	78.1	58%	0.575	41%	0.411	S	S	*	.	H	α-helix	trans	-61.8	-41.3	178.4	-65.8	142.3	-163.6	0	0	113	K146 I150 I151 R152	K146-E148 PolarHBondContact O-N 3.19Å; K146-E148 VanDerWaalsContact O-N 3.1Å; E148-I150 VanDerWaalsContact C-N 3.31Å; E148-I150 PolarHBondContact O-N 2.94Å; E148-I151 PolarHBondContact O-N 3.5Å; E148-R152 WeakPolarHBondContact O-CG 3.24Å; E148-R152 PolarHBondContact O-N 2.85Å
149	D	86.2	Confident	82.9	Confident	65 Å²	65	76.8 Å²	76.8	35%	0.348	41%	0.411	S	S	.	.	H	α-helix	trans	-68.3	-35.8	-179.8	-62.6	-42.4	0	0	0	110.9	K145 K146 P147 R152 I153	K145-D149 HydrophobicContact CB-CB 4.43Å; K146-D149 PolarHBondContact N-OD2 3.42Å; K146-D149 PolarHBondContact O-N 3.32Å; P147-D149 PolarHBondContact O-N 2.88Å; D149-R152 WeakPolarHBondContact O-CB 3.43Å; D149-R152 PolarHBondContact O-N 2.88Å; D149-I153 WeakPolarHBondContact O-CD1 3.45Å; D149-I153 VanDerWaalsContact O-CG1 3.23Å; D149-I153 WeakPolarHBondContact O-CG1 3.5Å; D149-I153 PolarHBondContact O-N 3.14Å
150	I	84.8	Confident	83	Confident	6 Å²	6	76 Å²	76	3%	0.031	40%	0.399	C	S	.	.	H	α-helix	trans	-70.6	-41.1	178.3	-57.1	156.8	0	0	0	110.1	I101 I110 V142 K145 K146 P147 E148 R152 I153 L154	I101-I150 HydrophobicContact CD1-CB 3.96Å; I101-I150 HydrophobicContact CD1-CD1 3.92Å; I101-I150 HydrophobicContact CD1-CG2 3.89Å; I110-I150 HydrophobicContact CD1-CD1 3.08Å; I110-I150 HydrophobicContact CD1-CG1 4.45Å; I110-I150 HydrophobicContact CG1-CD1 4.45Å; I110-I150 HydrophobicContact CG2-CD1 4.34Å; V142-I150 HydrophobicContact CG1-CD1 3.15Å; V142-I150 HydrophobicContact CG1-CG1 3.36Å; V142-I150 HydrophobicContact CG1-CG2 4.43Å; K145-I150 HydrophobicContact CB-CD1 4.33Å; K145-I150 HydrophobicContact CB-CG1 4.07Å; K146-I150 WeakPolarHBondContact O-CG1 3.37Å; K146-I150 PolarHBondContact O-N 2.94Å; P147-I150 PolarHBondContact O-N 2.9Å; E148-I150 VanDerWaalsContact C-N 3.31Å; E148-I150 PolarHBondContact O-N 2.94Å; I150-R152 VanDerWaalsContact C-N 3.27Å; I150-R152 PolarHBondContact O-N 3.49Å; I150-I153 PolarHBondContact O-N 3.01Å; I150-L154 HydrophobicContact CG2-CD1 4.02Å; I150-L154 HydrophobicContact CG2-CG 4.39Å; I150-L154 WeakPolarHBondContact O-CB 3.06Å; I150-L154 VanDerWaalsContact O-CG 3.29Å; I150-L154 WeakPolarHBondContact O-CG 3.33Å; I150-L154 PolarHBondContact O-N 3.3Å
151	I	84.1	Confident	83	Confident	95 Å²	95	73 Å²	73	49%	0.487	38%	0.384	S	S	.	.	H	α-helix	trans	-59.1	-41.9	173.2	-68.1	162.5	0	0	0	109.9	P147 E148 L154 A155	P147-I151 WeakPolarHBondContact O-CD1 3.31Å; P147-I151 VanDerWaalsContact O-CG1 3.23Å; P147-I151 WeakPolarHBondContact O-CG1 3.37Å; P147-I151 PolarHBondContact O-N 3.28Å; E148-I151 PolarHBondContact O-N 3.5Å; I151-L154 PolarHBondContact O-N 2.95Å; I151-A155 WeakPolarHBondContact O-CB 3.19Å; I151-A155 PolarHBondContact O-N 3.3Å
152	R	83.9	Confident	83.1	Confident	169 Å²	169	71.7 Å²	71.7	64%	0.638	37%	0.374	S	S	*	.	H	α-helix	trans	-63.8	-46.5	175.6	-71.4	173.5	178	-153.4	0.3	112.5	E148 D149 I150 L154 A155 Q156	E148-R152 WeakPolarHBondContact O-CG 3.24Å; E148-R152 PolarHBondContact O-N 2.85Å; D149-R152 WeakPolarHBondContact O-CB 3.43Å; D149-R152 PolarHBondContact O-N 2.88Å; I150-R152 VanDerWaalsContact C-N 3.27Å; I150-R152 PolarHBondContact O-N 3.49Å; R152-L154 VanDerWaalsContact C-N 3.34Å; R152-L154 PolarHBondContact O-N 3Å; R152-A155 PolarHBondContact O-N 2.92Å; R152-Q156 WeakPolarHBondContact O-CG 3.42Å; R152-Q156 PolarHBondContact O-N 2.73Å
153	I	84.9	Confident	83.2	Confident	31 Å²	31	72.1 Å²	72.1	16%	0.159	38%	0.376	C	S	.	.	H	α-helix	trans	-59.6	-46.3	177.1	-68.8	162.2	0	0	0	110.5	I140 K145 D149 I150 A155 Q156 S157	I140-I153 HydrophobicContact CD1-CG2 4.14Å; K145-I153 HydrophobicContact CD-CD1 3.91Å; D149-I153 WeakPolarHBondContact O-CD1 3.45Å; D149-I153 VanDerWaalsContact O-CG1 3.23Å; D149-I153 WeakPolarHBondContact O-CG1 3.5Å; D149-I153 PolarHBondContact O-N 3.14Å; I150-I153 PolarHBondContact O-N 3.01Å; I153-A155 VanDerWaalsContact C-N 3.35Å; I153-A155 PolarHBondContact O-N 2.66Å; I153-Q156 PolarHBondContact O-N 3.41Å; I153-S157 WeakPolarHBondContact O-CB 3.4Å; I153-S157 PolarHBondContact O-N 3.01Å; I153-S157 VanDerWaalsContact O-N 3.09Å; I153-S157 PolarHBondContact O-OG 3.04Å
154	L	83.4	Confident	83.7	Confident	24 Å²	24	72.2 Å²	72.2	13%	0.126	37%	0.373	C	S	.	.	H	α-helix	trans	-65.5	-38.5	177	-71.6	173.5	0	0	0	111.3	K92 L97 V137 I150 I151 R152 S157 I161 F163	K92-L154 VanDerWaalsContact NZ-C 3.3Å; K92-L154 PolarHBondContact NZ-O 3.16Å; L97-L154 HydrophobicContact CD1-CD1 4.4Å; L97-L154 HydrophobicContact CD1-CD2 4.03Å; V137-L154 HydrophobicContact CG1-CD2 3.6Å; V137-L154 HydrophobicContact CG1-CG 4.36Å; I150-L154 HydrophobicContact CG2-CD1 4.02Å; I150-L154 HydrophobicContact CG2-CG 4.39Å; I150-L154 WeakPolarHBondContact O-CB 3.06Å; I150-L154 VanDerWaalsContact O-CG 3.29Å; I150-L154 WeakPolarHBondContact O-CG 3.33Å; I150-L154 PolarHBondContact O-N 3.3Å; I151-L154 PolarHBondContact O-N 2.95Å; R152-L154 VanDerWaalsContact C-N 3.34Å; R152-L154 PolarHBondContact O-N 3Å; L154-S157 PolarHBondContact O-N 3.24Å; L154-I161 HydrophobicContact CD2-CD1 3.89Å; L154-I161 HydrophobicContact CD2-CG2 3.93Å; L154-F163 HydrophobicContact CD2-CE1 4.17Å; L154-F163 HydrophobicContact CD2-CZ 3.72Å
155	A	81.8	Confident	84.1	Confident	65 Å²	65	64.7 Å²	64.7	54%	0.537	33%	0.333	S	S	.	.	H	α-helix	trans	-65.7	-36.9	179	0	0	0	0	0	112.9	I151 R152 I153	I151-A155 WeakPolarHBondContact O-CB 3.19Å; I151-A155 PolarHBondContact O-N 3.3Å; R152-A155 PolarHBondContact O-N 2.92Å; I153-A155 VanDerWaalsContact C-N 3.35Å; I153-A155 PolarHBondContact O-N 2.66Å
156	Q	82.1	Confident	84.3	Confident	162 Å²	162	62.6 Å²	62.6	76%	0.757	33%	0.325	S	S	*	.	H	α-helix	trans	-77	-25	176.7	-69	173.8	-5.9	0	0	112.9	R152 I153	R152-Q156 WeakPolarHBondContact O-CG 3.42Å; R152-Q156 PolarHBondContact O-N 2.73Å; I153-Q156 PolarHBondContact O-N 3.41Å
157	S	80.1	Confident	84.2	Confident	26 Å²	26	59.7 Å²	59.7	18%	0.182	32%	0.318	C	S	.	.			trans	-78.1	128.5	178.3	-59.3	0	0	0	0	111.5	N138 I153 L154	N138-S157 PolarHBondContact ND2-OG 3.3Å; I153-S157 WeakPolarHBondContact O-CB 3.4Å; I153-S157 PolarHBondContact O-N 3.01Å; I153-S157 VanDerWaalsContact O-N 3.09Å; I153-S157 PolarHBondContact O-OG 3.04Å; L154-S157 PolarHBondContact O-N 3.24Å
158	Q	76.9	Confident	83.6	Confident	166 Å²	166	59.3 Å²	59.3	78%	0.776	32%	0.321	S	S	*	.			trans	-123.1	145.4	173.6	-63.3	-174.4	7.2	0	0	110.3
159	G	81.8	Confident	82.5	Confident	31 Å²	31	62.3 Å²	62.3	32%	0.32	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	90.2	-139.1	-179.1	0	0	0	0	0	112.9	K92 I161	K92-G159 PolarHBondContact N-O 2.92Å; K92-G159 PolarHBondContact O-N 3.18Å; K92-G159 VanDerWaalsContact O-N 3.1Å; G159-I161 PolarHBondContact O-N 3.02Å
160	A	82.6	Confident	81.1	Confident	42 Å²	42	66.3 Å²	66.3	35%	0.347	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	117.4	-175.7	0	0	0	0	0	111.9	R89 L90	R89-A160 HydrophobicContact CG-CB 4.21Å; L90-A160 CarbonylContact O-C 3.46Å; L90-A160 WeakPolarHBondContact O-CA 3.37Å
161	I	86.1	Confident	79.5	Confident	1 Å²	1	75.2 Å²	75.2	1%	0.005	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132	174.2	-57.2	-177.1	0	0	0	108.7	R89 L90 K92 L97 V137 N138 L154 G159 F163	R89-I161 CarbonylContact C-O 3.54Å; R89-I161 WeakPolarHBondContact CA-O 3.28Å; L90-I161 PolarHBondContact N-O 3.26Å; L90-I161 PolarHBondContact O-N 3.33Å; K92-I161 HydrophobicContact CB-CD1 3.62Å; K92-I161 HydrophobicContact CB-CG1 4.07Å; K92-I161 HydrophobicContact CD-CD1 3.42Å; K92-I161 VanDerWaalsContact CD-CD1 3.42Å; K92-I161 HydrophobicContact CG-CD1 4.09Å; L97-I161 HydrophobicContact CD1-CD1 4.32Å; V137-I161 HydrophobicContact CG1-CG2 4.03Å; N138-I161 VanDerWaalsContact OD1-CA 3.24Å; N138-I161 WeakPolarHBondContact OD1-CA 3.1Å; N138-I161 WeakPolarHBondContact OD1-CG2 3.36Å; L154-I161 HydrophobicContact CD2-CD1 3.89Å; L154-I161 HydrophobicContact CD2-CG2 3.93Å; G159-I161 PolarHBondContact O-N 3.02Å; I161-F163 HydrophobicContact CB-CE2 4.04Å; I161-F163 HydrophobicContact CG2-CD2 3.99Å; I161-F163 HydrophobicContact CG2-CE1 4.5Å; I161-F163 HydrophobicContact CG2-CE2 3.36Å; I161-F163 HydrophobicContact CG2-CZ 3.65Å
162	T	87.3	Confident	78.1	Confident	51 Å²	51	75.6 Å²	75.6	31%	0.313	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	127.3	178.7	-51.1	0	0	0	0	109.6	I87 I88 N138	I87-T162 HydrophobicContact CG2-CG2 3.52Å; I88-T162 CarbonylContact O-C 3.58Å; I88-T162 WeakPolarHBondContact O-CA 3.45Å; N138-T162 PolarHBondContact N-O 3.33Å; N138-T162 PolarHBondContact OD1-N 3.13Å
163	F	87.8	Confident	76.2	Confident	14 Å²	14	72.3 Å²	72.3	6%	0.061	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.2	176.4	-67.5	-92.4	0	0	0	109.3	I87 I88 L90 L97 I128 V134 E136 V137 L154 I161 V165	I87-F163 CarbonylContact C-O 3.59Å; I87-F163 WeakPolarHBondContact CA-O 3.24Å; I88-F163 HydrophobicContact CB-CB 4.36Å; I88-F163 PolarHBondContact N-O 2.95Å; I88-F163 PolarHBondContact O-N 2.81Å; L90-F163 HydrophobicContact CB-CE2 4.33Å; L90-F163 HydrophobicContact CD1-CD2 3.76Å; L90-F163 HydrophobicContact CD1-CE2 3.78Å; L97-F163 HydrophobicContact CD1-CE2 4.02Å; L97-F163 HydrophobicContact CD1-CZ 3.63Å; I128-F163 HydrophobicContact CD1-CD2 4.3Å; I128-F163 HydrophobicContact CD1-CG 4.38Å; V134-F163 HydrophobicContact CG1-CD1 4.11Å; E136-F163 WeakPolarHBondContact O-CA 3.44Å; V137-F163 HydrophobicContact CB-CE1 4.49Å; V137-F163 HydrophobicContact CG1-CD1 4.49Å; V137-F163 HydrophobicContact CG1-CE1 4.07Å; V137-F163 HydrophobicContact CG1-CZ 4.45Å; V137-F163 HydrophobicContact CG2-CD1 3.74Å; V137-F163 HydrophobicContact CG2-CE1 3.69Å; L154-F163 HydrophobicContact CD2-CE1 4.17Å; L154-F163 HydrophobicContact CD2-CZ 3.72Å; I161-F163 HydrophobicContact CB-CE2 4.04Å; I161-F163 HydrophobicContact CG2-CD2 3.99Å; I161-F163 HydrophobicContact CG2-CE1 4.5Å; I161-F163 HydrophobicContact CG2-CE2 3.36Å; I161-F163 HydrophobicContact CG2-CZ 3.65Å; F163-V165 HydrophobicContact CB-CG1 4Å
164	K	87.9	Confident	74.8	Confident	70 Å²	70	73.6 Å²	73.6	30%	0.304	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	111.2	167.4	-170.7	-178.7	176.1	-178.6	0	107	V85 K135 E136	V85-K164 HydrophobicContact CG1-CB 4.49Å; V85-K164 HydrophobicContact CG1-CD 3.98Å; V85-K164 HydrophobicContact CG1-CG 3.19Å; K135-K164 PolarHBondContact N-O 3.48Å; E136-K164 HydrophobicContact CB-CB 3.81Å; E136-K164 HydrophobicContact CB-CD 4.35Å; E136-K164 HydrophobicContact CG-CB 4.34Å; E136-K164 HydrophobicContact CG-CD 4Å; E136-K164 PolarHBondContact N-O 3.22Å; E136-K164 PolarHBondContact O-N 3Å; E136-K164 VanDerWaalsContact OE1-CD 3.23Å; E136-K164 WeakPolarHBondContact OE1-CD 3.49Å; E136-K164 IonicContact OE1-NZ 2.81Å; E136-K164 PolarHBondContact OE1-NZ 2.92Å; E136-K164 WeakPolarHBondContact OE2-CD 3.26Å
165	V	88.3	Confident	73.3	Confident	0 Å²	0	79.6 Å²	79.6	0%	0	45%	0.45	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	148.7	-174.5	-53.2	0	0	0	0	111.8	K86 I88 D132 E133 V134 F163	K86-V165 HydrophobicContact CB-CG2 4.02Å; K86-V165 PolarHBondContact N-O 3.3Å; K86-V165 PolarHBondContact O-N 3.05Å; I88-V165 HydrophobicContact CD1-CG1 4.45Å; I88-V165 HydrophobicContact CD1-CG2 3.43Å; I88-V165 VanDerWaalsContact CD1-CG2 3.43Å; I88-V165 HydrophobicContact CG1-CG2 4.3Å; D132-V165 HydrophobicContact CB-CB 4.43Å; E133-V165 CarbonylContact O-C 3.59Å; E133-V165 WeakPolarHBondContact O-CA 3.44Å; E133-V165 WeakPolarHBondContact O-CB 3.42Å; V134-V165 HydrophobicContact CG2-CG1 4.19Å; F163-V165 HydrophobicContact CB-CG1 4Å
166	V	86.6	Confident	71.9	Confident	21 Å²	21	87.9 Å²	87.9	13%	0.127	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.4	167.2	-178.6	0	0	0	0	107.3	V85 D132 E133 K135 G168	V85-V166 HydrophobicContact CG2-CG2 4.47Å; D132-V166 WeakPolarHBondContact CA-O 3.4Å; E133-V166 HydrophobicContact CB-CB 4.23Å; E133-V166 PolarHBondContact N-O 3.06Å; E133-V166 PolarHBondContact O-N 3.02Å; K135-V166 HydrophobicContact CG-CG2 4.1Å; V166-G168 PolarHBondContact O-N 3.45Å
167	P	81.3	Confident	70.7	Confident	55 Å²	55	85.2 Å²	85.2	36%	0.357	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-59.9	133	-179.4	-21.9	32.5	0	0	0	111.7	S84 K86 D132	S84-P167 VanDerWaalsContact O-CD 3.27Å; S84-P167 WeakPolarHBondContact O-CD 3.45Å; K86-P167 HydrophobicContact CB-CG 4.15Å; D132-P167 WeakPolarHBondContact OD1-CA 3.26Å
168	G	72.8	Confident	69.7	Low	28 Å²	28	89.1 Å²	89.1	29%	0.289	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-72.9	149	171.2	0	0	0	0	0	111.6	D132 V166 K170	D132-G168 PolarHBondContact OD1-N 3.47Å; V166-G168 PolarHBondContact O-N 3.45Å; G168-K170 PolarHBondContact O-N 3.49Å
169	L	62	Low	69.4	Low	187 Å²	187	89.2 Å²	89.2	98%	0.979	48%	0.478	S	S	*	.	S	Bend	trans	-64.7	14.8	179.4	-71.2	167.9	0	0	0	115.3	E171	L169-E171 PolarHBondContact O-N 3.14Å
170	K	56.8	Low	69.4	Low	148 Å²	148	89.4 Å²	89.4	64%	0.643	47%	0.473	S	S	*	.			trans	-94.2	101.4	-178.1	-74.7	-171.7	173.9	-173.3	0	111	G168 D172	G168-K170 PolarHBondContact O-N 3.49Å; K170-D172 PolarHBondContact O-N 3.32Å
171	E	51.3	Low	69.4	Low	194 Å²	194	88.8 Å²	88.8	91%	0.907	46%	0.462	S	S	*	.			trans	-76.1	96.7	160.9	-80.6	-174.4	146.7	0	0	109.9	L169 A173	L169-E171 PolarHBondContact O-N 3.14Å; E171-A173 PolarHBondContact O-N 3.01Å
172	D	54.4	Low	69.3	Low	102 Å²	102	88.9 Å²	88.9	55%	0.545	46%	0.463	S	S	.	.			trans	-85.2	97.9	169.4	-76.3	-34.1	0	0	0	110.2	K170 S174	K170-D172 PolarHBondContact O-N 3.32Å; D172-S174 PolarHBondContact O-N 2.92Å
173	A	45.3	Very low	69	Low	100 Å²	100	89.4 Å²	89.4	83%	0.826	46%	0.459	S	S	*	.			trans	-68.4	98.4	167.6	0	0	0	0	0	109.8	E171 I175	E171-A173 PolarHBondContact O-N 3.01Å; A173-I175 PolarHBondContact O-N 3.02Å
174	S	54.1	Low	68.9	Low	59 Å²	59	88.8 Å²	88.8	41%	0.413	46%	0.456	S	S	.	.			trans	-79.6	108.8	-177.8	80.8	0	0	0	0	112.1	R126 D172	R126-S174 PolarHBondContact NH1-OG 2.96Å; R126-S174 PolarHBondContact NH2-OG 3.28Å; D172-S174 PolarHBondContact O-N 2.92Å
175	I	52.9	Low	68.4	Low	150 Å²	150	86.7 Å²	86.7	77%	0.769	45%	0.448	S	S	*	.			trans	-72.8	127.3	156.6	-59.4	171.6	0	0	0	106.3	A173 E177	A173-I175 PolarHBondContact O-N 3.02Å; I175-E177 PolarHBondContact O-N 2.88Å
176	R	51.3	Low	68	Low	238 Å²	238	87.9 Å²	87.9	90%	0.898	45%	0.453	S	S	*	.			trans	-64.3	101.2	170.4	-80	-174.7	176.6	-169.7	0.3	107.8
177	E	56.8	Low	67.9	Low	107 Å²	107	92.2 Å²	92.2	50%	0.5	48%	0.476	S	S	.	.			trans	-62.1	141.3	175.3	-67.7	-176.3	167.1	0	0	110.3	I175	I175-E177 PolarHBondContact O-N 2.88Å
178	P	59.3	Low	68.1	Low	108 Å²	108	90.3 Å²	90.3	70%	0.701	46%	0.462	S	S	*	.			trans	-60.5	148.8	176.3	25.1	-33	0	0	0	110.7	V180	P178-V180 PolarHBondContact O-N 3.13Å
179	K	71.9	Confident	68.8	Low	168 Å²	168	91 Å²	91	73%	0.73	46%	0.459	S	S	*	.			trans	-64.5	110	175.3	-69.3	179.3	-178.9	175.5	0	109.5	F181	K179-F181 HydrophobicContact CB-CE2 4.16Å
180	V	80.5	Confident	70	Confident	35 Å²	35	82.5 Å²	82.5	21%	0.212	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	131.6	178.1	175.2	0	0	0	0	110.1	P178 L182 I213 L306	P178-V180 PolarHBondContact O-N 3.13Å; V180-L182 HydrophobicContact CG1-CD2 4.09Å; V180-L182 HydrophobicContact CG1-CG 4.41Å; V180-I213 HydrophobicContact CB-CB 4.18Å; V180-I213 HydrophobicContact CB-CG1 4.5Å; V180-I213 HydrophobicContact CG1-CB 4.48Å; V180-I213 HydrophobicContact CG1-CG1 4.27Å; V180-I213 PolarHBondContact O-N 2.88Å; V180-L306 HydrophobicContact CG1-CD2 3.25Å
181	F	82.9	Confident	71.5	Confident	28 Å²	28	78.4 Å²	78.4	12%	0.123	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	138.2	173.6	-64.3	-92.7	0	0	0	110.1	K179 I210 L211 Q212 L307 W518	K179-F181 HydrophobicContact CB-CE2 4.16Å; F181-I210 HydrophobicContact CD1-CG2 4.33Å; F181-L211 CarbonylContact C-O 3.59Å; F181-L211 WeakPolarHBondContact CA-O 3.27Å; F181-Q212 HydrophobicContact CD1-CB 3.85Å; F181-Q212 HydrophobicContact CD1-CG 4.06Å; F181-Q212 HydrophobicContact CE1-CB 3.69Å; F181-Q212 HydrophobicContact CE1-CG 3.65Å; F181-Q212 HydrophobicContact CZ-CG 4Å; F181-L307 HydrophobicContact CB-CB 4.3Å; F181-L307 PolarHBondContact O-N 3.32Å; F181-W518 HydrophobicContact CB-CE3 4.16Å; F181-W518 HydrophobicContact CB-CH2 4.05Å; F181-W518 HydrophobicContact CB-CZ3 3.55Å; F181-W518 AromaticContact CD1-CH2 3.44Å; F181-W518 HydrophobicContact CD1-CH2 3.44Å; F181-W518 VanDerWaalsContact CD1-CH2 3.44Å; F181-W518 HydrophobicContact CD1-CZ2 4.16Å; F181-W518 AromaticContact CD1-CZ3 3.9Å; F181-W518 HydrophobicContact CD1-CZ3 3.9Å; F181-W518 AromaticContact CD2-CH2 3.86Å; F181-W518 HydrophobicContact CD2-CH2 3.86Å; F181-W518 AromaticContact CD2-CZ3 3.78Å; F181-W518 HydrophobicContact CD2-CZ3 3.78Å; F181-W518 AromaticContact CE1-CH2 3.73Å; F181-W518 HydrophobicContact CE1-CH2 3.73Å; F181-W518 HydrophobicContact CE1-CZ2 4.39Å; F181-W518 HydrophobicContact CE2-CH2 4.13Å; F181-W518 HydrophobicContact CE2-CZ3 4.44Å; F181-W518 HydrophobicContact CG-CE3 4.48Å; F181-W518 AromaticContact CG-CH2 3.5Å; F181-W518 HydrophobicContact CG-CH2 3.5Å; F181-W518 AromaticContact CG-CZ3 3.46Å; F181-W518 HydrophobicContact CG-CZ3 3.46Å; F181-W518 VanDerWaalsContact CG-CZ3 3.46Å; F181-W518 HydrophobicContact CZ-CH2 4.07Å
182	L	83.1	Confident	73.1	Confident	3 Å²	3	75.8 Å²	75.8	2%	0.016	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.9	-179.5	-60.9	-176.9	0	0	0	110.3	V180 I210 L211 I213 W222 Y304 P305 L306	V180-L182 HydrophobicContact CG1-CD2 4.09Å; V180-L182 HydrophobicContact CG1-CG 4.41Å; L182-I210 CarbonylContact O-C 3.6Å; L182-I210 WeakPolarHBondContact O-CA 3.46Å; L182-L211 HydrophobicContact CB-CB 4.41Å; L182-L211 PolarHBondContact N-O 2.96Å; L182-L211 PolarHBondContact O-N 3.4Å; L182-I213 HydrophobicContact CD1-CD1 3.52Å; L182-I213 HydrophobicContact CD1-CG1 3.55Å; L182-I213 HydrophobicContact CG-CD1 4.14Å; L182-I213 HydrophobicContact CG-CG1 3.77Å; L182-W222 HydrophobicContact CD1-CE3 4.21Å; L182-W222 HydrophobicContact CD1-CZ3 3.87Å; L182-Y304 HydrophobicContact CD1-CD1 4.36Å; L182-Y304 HydrophobicContact CD1-CG 4.07Å; L182-P305 WeakPolarHBondContact CA-O 3.45Å; L182-L306 HydrophobicContact CD2-CB 4.39Å; L182-L306 HydrophobicContact CD2-CD2 3.49Å; L182-L306 VanDerWaalsContact CD2-CD2 3.49Å; L182-L306 HydrophobicContact CD2-CG 3.92Å
183	R	82.7	Confident	74.6	Confident	63 Å²	63	71.6 Å²	71.6	24%	0.238	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	129.3	168.2	-168.6	169.1	174.6	-179.9	-3.9	109.6	L185 I210 P305 L307 E490	R183-L185 PolarHBondContact O-N 3.19Å; R183-I210 HydrophobicContact CB-CD1 4.32Å; R183-I210 HydrophobicContact CG-CD1 4.07Å; R183-P305 HydrophobicContact CB-CG 4.19Å; R183-P305 PolarHBondContact N-O 2.9Å; R183-P305 VanDerWaalsContact N-O 3.17Å; R183-P305 VanDerWaalsContact O-CD 3.32Å; R183-P305 WeakPolarHBondContact O-CD 3.47Å; R183-L307 HydrophobicContact CB-CD1 3.58Å; R183-L307 HydrophobicContact CB-CD2 4.04Å; R183-L307 HydrophobicContact CB-CG 4.01Å; R183-L307 HydrophobicContact CG-CD1 4.48Å; R183-E490 IonicContact NH1-OE2 2.72Å
184	A	83.9	Confident	76.4	Confident	0 Å²	0	72.3 Å²	72.3	0%	0	37%	0.374	C	S	.	.			trans	-71.1	126.1	171.7	0	0	0	0	0	110.5	F205 G208 S209 L211	A184-F205 HydrophobicContact CB-CD2 3.38Å; A184-F205 HydrophobicContact CB-CE2 3.53Å; A184-F205 HydrophobicContact CB-CG 4.35Å; A184-G208 PolarHBondContact O-N 2.96Å; A184-S209 PolarHBondContact N-O 3Å; A184-L211 HydrophobicContact CB-CD1 4.32Å
185	L	78.3	Confident	77.8	Confident	27 Å²	27	71.9 Å²	71.9	14%	0.141	37%	0.373	C	S	.	.			trans	-99	5.1	175.7	-65.2	-173.2	0	0	0	113.9	R183 P305 H487	R183-L185 PolarHBondContact O-N 3.19Å; L185-P305 HydrophobicContact CD1-CG 3.96Å; L185-P305 HydrophobicContact CD2-CG 4.14Å; L185-P305 HydrophobicContact CG-CG 4.01Å; L185-H487 HydrophobicContact CB-CB 4.1Å; L185-H487 HydrophobicContact CD1-CB 4.45Å
186	F	79.6	Confident	79.3	Confident	24 Å²	24	65.3 Å²	65.3	11%	0.105	34%	0.34	C	S	.	.	S	Bend	trans	-149.1	166.6	-178.6	65.8	-80.3	0	0	0	109.9	Y188 F205 K207 Q243 A303 Y304	F186-Y188 HydrophobicContact CE2-CD2 4.33Å; F186-Y188 HydrophobicContact CE2-CG 4.42Å; F186-F205 HydrophobicContact CD2-CE2 4.42Å; F186-F205 HydrophobicContact CE1-CE2 4.37Å; F186-F205 HydrophobicContact CE1-CZ 4.43Å; F186-F205 HydrophobicContact CE2-CE2 4.01Å; F186-F205 AromaticContact CE2-CZ 3.94Å; F186-F205 HydrophobicContact CE2-CZ 3.94Å; F186-F205 AromaticContact CZ-CE2 3.98Å; F186-F205 HydrophobicContact CZ-CE2 3.98Å; F186-F205 AromaticContact CZ-CZ 3.74Å; F186-F205 HydrophobicContact CZ-CZ 3.74Å; F186-K207 PolarHBondContact O-N 3.1Å; F186-Q243 HydrophobicContact CE1-CG 3.83Å; F186-Q243 HydrophobicContact CE2-CG 4.35Å; F186-Q243 HydrophobicContact CZ-CG 3.66Å; F186-Q243 VanDerWaalsContact CZ-NE2 3.25Å; F186-A303 HydrophobicContact CE1-CB 4.15Å; F186-Y304 AromaticContact CE1-CE1 3.92Å; F186-Y304 HydrophobicContact CE1-CE1 3.92Å; F186-Y304 HydrophobicContact CE1-CE2 4.16Å; F186-Y304 AromaticContact CE1-CZ 3.75Å; F186-Y304 HydrophobicContact CZ-CE1 4.16Å; F186-Y304 HydrophobicContact CZ-CE2 4.32Å; F186-Y304 AromaticContact CZ-CZ 3.71Å; F186-Y304 WeakPolarHBondContact CZ-OH 3.11Å
187	D	84.5	Confident	80.7	Confident	112 Å²	112	57.9 Å²	57.9	60%	0.599	32%	0.323	S	S	*	.			trans	-89.6	135.9	174.1	-59.5	-36.8	0	0	0	109.8	K206 K207	D187-K206 VanDerWaalsContact OD1-CA 3.28Å; D187-K206 WeakPolarHBondContact OD1-CA 3.4Å; D187-K207 WeakPolarHBondContact OD1-CB 3.38Å; D187-K207 PolarHBondContact OD1-N 3.42Å
188	Y	86.1	Confident	81.8	Confident	16 Å²	16	55 Å²	55	6%	0.063	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-127.8	124.9	178.3	-177.2	-115.9	0	0	0	110.9	F186 P190 D193 L203 R204 F205 W221 P238	F186-Y188 HydrophobicContact CE2-CD2 4.33Å; F186-Y188 HydrophobicContact CE2-CG 4.42Å; Y188-P190 HydrophobicContact CD1-CG 4.25Å; Y188-P190 HydrophobicContact CE1-CB 4.32Å; Y188-P190 HydrophobicContact CE1-CG 3.79Å; Y188-D193 HydrophobicContact CE2-CB 4.24Å; Y188-D193 WeakPolarHBondContact CE2-OD2 3.29Å; Y188-D193 PolarHBondContact OH-OD2 3.46Å; Y188-L203 WeakPolarHBondContact CD1-O 3.46Å; Y188-R204 WeakPolarHBondContact O-CG 3.36Å; Y188-F205 VanDerWaalsContact CB-CE1 3.5Å; Y188-F205 VanDerWaalsContact CB-CE2 3.48Å; Y188-F205 HydrophobicContact CD1-CD1 4.09Å; Y188-F205 AromaticContact CD1-CE1 3.56Å; Y188-F205 HydrophobicContact CD1-CE1 3.56Å; Y188-F205 HydrophobicContact CD1-CZ 4.1Å; Y188-F205 HydrophobicContact CG-CD1 4.49Å; Y188-F205 AromaticContact CG-CE1 3.82Å; Y188-F205 HydrophobicContact CG-CE1 3.82Å; Y188-F205 AromaticContact CG-CZ 3.87Å; Y188-F205 HydrophobicContact CG-CZ 3.87Å; Y188-F205 PolarHBondContact N-O 3.44Å; Y188-F205 PolarHBondContact O-N 3.3Å; Y188-F205 VanDerWaalsContact O-N 3.16Å; Y188-W221 VanDerWaalsContact OH-CH2 3.3Å; Y188-W221 WeakPolarHBondContact OH-CH2 3.41Å; Y188-W221 VanDerWaalsContact OH-CZ3 3.24Å; Y188-W221 WeakPolarHBondContact OH-CZ3 3.35Å; Y188-P238 HydrophobicContact CD2-CG 4.03Å; Y188-P238 HydrophobicContact CE1-CG 4.22Å; Y188-P238 HydrophobicContact CE2-CG 3.61Å
189	D	87.4	Confident	83	Confident	42 Å²	42	55.4 Å²	55.4	23%	0.225	30%	0.304	C	S	.	.			trans	-119.6	109.7	174.3	-155.3	-34.8	0	0	0	110.1	S191 N192 R204	D189-S191 PolarHBondContact O-N 3.49Å; D189-S191 PolarHBondContact OD1-N 3.34Å; D189-S191 PolarHBondContact OD1-OG 2.88Å; D189-N192 PolarHBondContact O-N 3.47Å; D189-R204 IonicContact OD1-NE 3.98Å; D189-R204 IonicContact OD2-CZ 2.7Å; D189-R204 IonicContact OD2-NE 3.88Å; D189-R204 PolarHBondContact OD2-NE 3.47Å; D189-R204 IonicContact OD2-NH2 2.83Å; D189-R204 PolarHBondContact OD2-NH2 2.81Å
190	P	87.9	Confident	83.5	Confident	8 Å²	8	56.1 Å²	56.1	5%	0.052	31%	0.31	C	S	.	.	G	3₁₀ helix	trans	-60.3	-25.2	179.2	-22.4	30.6	0	0	0	114	Y188 N192 D193 I196 R204	Y188-P190 HydrophobicContact CD1-CG 4.25Å; Y188-P190 HydrophobicContact CE1-CB 4.32Å; Y188-P190 HydrophobicContact CE1-CG 3.79Å; P190-N192 VanDerWaalsContact C-N 3.32Å; P190-N192 PolarHBondContact O-N 3.25Å; P190-D193 PolarHBondContact O-N 3.27Å; P190-I196 HydrophobicContact CB-CD1 4.11Å; P190-R204 HydrophobicContact CG-CB 4.34Å
191	S	87.3	Confident	83.6	Confident	63 Å²	63	54.9 Å²	54.9	44%	0.441	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-66	-37.3	-178.2	58.9	0	0	0	0	112.4	D189 D193 K199	D189-S191 PolarHBondContact O-N 3.49Å; D189-S191 PolarHBondContact OD1-N 3.34Å; D189-S191 PolarHBondContact OD1-OG 2.88Å; S191-D193 VanDerWaalsContact C-N 3.34Å; S191-K199 PolarHBondContact O-NZ 3.13Å; S191-K199 VanDerWaalsContact O-NZ 3.16Å
192	N	85.8	Confident	83.8	Confident	138 Å²	138	54.4 Å²	54.4	74%	0.738	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-83.1	-9.6	-179.7	-68.2	-15.5	0	0	0	113.4	D189 P190	D189-N192 PolarHBondContact O-N 3.47Å; P190-N192 VanDerWaalsContact C-N 3.32Å; P190-N192 PolarHBondContact O-N 3.25Å
193	D	84.2	Confident	84	Confident	15 Å²	15	55.4 Å²	55.4	8%	0.08	31%	0.312	C	S	.	.			trans	-89.6	116	-178.1	-160.3	-28	0	0	0	110.3	Y188 P190 S191 A195 I196 K199 W221 R246	Y188-D193 HydrophobicContact CE2-CB 4.24Å; Y188-D193 WeakPolarHBondContact CE2-OD2 3.29Å; Y188-D193 PolarHBondContact OH-OD2 3.46Å; P190-D193 PolarHBondContact O-N 3.27Å; S191-D193 VanDerWaalsContact C-N 3.34Å; D193-A195 PolarHBondContact OD1-N 2.86Å; D193-I196 HydrophobicContact CB-CB 4.43Å; D193-I196 HydrophobicContact CB-CG2 4.27Å; D193-I196 WeakPolarHBondContact O-CG2 3.19Å; D193-K199 WeakPolarHBondContact O-CE 3.38Å; D193-W221 WeakPolarHBondContact OD2-CH2 3.3Å; D193-R246 IonicContact OD1-CZ 2.76Å; D193-R246 IonicContact OD1-NH1 3.71Å; D193-R246 IonicContact OD1-NH2 3.98Å; D193-R246 PolarHBondContact OD1-NH2 2.88Å; D193-R246 IonicContact OD2-CZ 3.3Å; D193-R246 IonicContact OD2-NH1 2.63Å; D193-R246 PolarHBondContact OD2-NH1 3.1Å; D193-R246 IonicContact OD2-NH2 3.99Å; D193-R246 PolarHBondContact OD2-NH2 2.89Å; D193-R246 VanDerWaalsContact OD2-NH2 3.14Å
194	S	83.1	Confident	84.4	Confident	115 Å²	115	60 Å²	60	80%	0.804	33%	0.329	S	S	*	.	S	Bend	trans	-81.2	-18	176.4	55.9	0	0	0	0	113.2
195	A	84.5	Confident	84.6	Confident	49 Å²	49	60.3 Å²	60.3	41%	0.405	33%	0.33	S	S	.	.	S	Bend	trans	-96.1	0.8	-175.1	0	0	0	0	0	113.3	D193 W221 F242 R246	D193-A195 PolarHBondContact OD1-N 2.86Å; A195-W221 VanDerWaalsContact O-CZ2 3.27Å; A195-W221 WeakPolarHBondContact O-CZ2 3.47Å; A195-F242 HydrophobicContact CB-CZ 4.27Å; A195-R246 VanDerWaalsContact CB-NH2 3.32Å
196	I	84.3	Confident	85	Confident	12 Å²	12	66 Å²	66	6%	0.062	35%	0.354	C	S	.	.			trans	-73	128.9	172.6	-168.8	173.1	0	0	0	110.7	P190 D193 C198 K199 G202 W221 L236	P190-I196 HydrophobicContact CB-CD1 4.11Å; D193-I196 HydrophobicContact CB-CB 4.43Å; D193-I196 HydrophobicContact CB-CG2 4.27Å; D193-I196 WeakPolarHBondContact O-CG2 3.19Å; I196-C198 VanDerWaalsContact C-N 3.28Å; I196-C198 WeakPolarHBondContact CD1-O 2.99Å; I196-C198 PolarHBondContact O-N 2.81Å; I196-K199 HydrophobicContact CG2-CB 4.29Å; I196-K199 HydrophobicContact CG2-CG 3.49Å; I196-K199 VanDerWaalsContact CG2-CG 3.49Å; I196-G202 VanDerWaalsContact CD1-CA 3.48Å; I196-W221 HydrophobicContact CB-CH2 3.56Å; I196-W221 HydrophobicContact CB-CZ2 3.87Å; I196-W221 HydrophobicContact CB-CZ3 4.08Å; I196-W221 HydrophobicContact CD1-CH2 4.38Å; I196-W221 HydrophobicContact CD1-CZ3 4.04Å; I196-W221 HydrophobicContact CG1-CE3 4.2Å; I196-W221 HydrophobicContact CG1-CH2 3.8Å; I196-W221 HydrophobicContact CG1-CZ2 4.22Å; I196-W221 HydrophobicContact CG1-CZ3 3.8Å; I196-L236 HydrophobicContact CD1-CB 4.37Å
197	P	80.9	Confident	85.1	Confident	83 Å²	83	69 Å²	69	54%	0.539	37%	0.367	S	S	.	.	S	Bend	trans	-60.7	-36.8	-178.9	-26.1	33.5	0	0	0	113.2	W221	P197-W221 HydrophobicContact CG-CG 4.36Å
198	C	80	Confident	84.6	Confident	46 Å²	46	65 Å²	65	31%	0.311	35%	0.353	S	S	.	.			trans	-141.3	105.2	179.1	-62.3	0	0	0	0	109.6	I196 E200 A201 G202	I196-C198 VanDerWaalsContact C-N 3.28Å; I196-C198 WeakPolarHBondContact CD1-O 2.99Å; I196-C198 PolarHBondContact O-N 2.81Å; C198-E200 VanDerWaalsContact C-N 3.27Å; C198-E200 PolarHBondContact O-N 2.82Å; C198-A201 HydrophobicContact CB-CB 3.9Å; C198-A201 PolarHBondContact O-N 3.04Å; C198-G202 PolarHBondContact O-N 3.24Å
199	K	83.9	Confident	84.6	Confident	117 Å²	117	65.7 Å²	65.7	51%	0.509	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-57.1	-38.8	-179.5	-69.3	-174	176.4	-162	0	112.9	S191 D193 I196 A201 G202	S191-K199 PolarHBondContact O-NZ 3.13Å; S191-K199 VanDerWaalsContact O-NZ 3.16Å; D193-K199 WeakPolarHBondContact O-CE 3.38Å; I196-K199 HydrophobicContact CG2-CB 4.29Å; I196-K199 HydrophobicContact CG2-CG 3.49Å; I196-K199 VanDerWaalsContact CG2-CG 3.49Å; K199-A201 PolarHBondContact O-N 3.29Å; K199-G202 PolarHBondContact O-N 3.1Å; K199-G202 VanDerWaalsContact O-N 3.14Å
200	E	81.7	Confident	84.5	Confident	183 Å²	183	65 Å²	65	86%	0.855	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-67.2	-22.4	178.3	-61.3	-177.1	180	0	0	113.8	C198	C198-E200 VanDerWaalsContact C-N 3.27Å; C198-E200 PolarHBondContact O-N 2.82Å
201	A	83.6	Confident	84.5	Confident	8 Å²	8	64.6 Å²	64.6	7%	0.066	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-90.5	-6	176.9	0	0	0	0	0	112.4	M116 C198 K199 G235 L236	M116-A201 HydrophobicContact CE-CB 4.27Å; C198-A201 HydrophobicContact CB-CB 3.9Å; C198-A201 PolarHBondContact O-N 3.04Å; K199-A201 PolarHBondContact O-N 3.29Å; A201-G235 CarbonylContact O-C 3.55Å; A201-G235 WeakPolarHBondContact O-CA 3.33Å; A201-L236 HydrophobicContact CB-CD1 3.93Å; A201-L236 HydrophobicContact CB-CG 4.16Å; A201-L236 PolarHBondContact O-N 3.17Å
202	G	86.6	Confident	84.5	Confident	19 Å²	19	62.6 Å²	62.6	20%	0.196	34%	0.337	C	S	.	.	B	Isolated β-bridge	trans	-71.2	138.2	-178.5	0	0	0	0	0	113.2	I196 C198 K199	I196-G202 VanDerWaalsContact CD1-CA 3.48Å; C198-G202 PolarHBondContact O-N 3.24Å; K199-G202 PolarHBondContact O-N 3.1Å; K199-G202 VanDerWaalsContact O-N 3.14Å
203	L	88.6	Confident	84.6	Confident	23 Å²	23	56.5 Å²	56.5	12%	0.12	30%	0.304	C	S	.	.			trans	-92.5	112.6	174.3	-177.3	66.6	0	0	0	109.9	Y188 F205 L211 A224 L226 L236 I237	Y188-L203 WeakPolarHBondContact CD1-O 3.46Å; L203-F205 WeakPolarHBondContact O-CD1 3.34Å; L203-L211 HydrophobicContact CD2-CD2 3.92Å; L203-A224 HydrophobicContact CD2-CB 4.35Å; L203-L226 HydrophobicContact CD1-CD1 4.14Å; L203-L226 HydrophobicContact CD1-CG 4.26Å; L203-L226 HydrophobicContact CD2-CG 4.36Å; L203-L236 PolarHBondContact N-O 3.48Å; L203-I237 HydrophobicContact CB-CG2 3.85Å; L203-I237 HydrophobicContact CD2-CG2 3.93Å; L203-I237 HydrophobicContact CG-CG2 4.38Å
204	R	90	Very high	84.5	Confident	160 Å²	160	58.7 Å²	58.7	60%	0.604	32%	0.315	S	S	*	.			trans	-74.7	133.5	172	-169.7	-179.6	-167.9	-174.8	9.7	110.4	Y188 D189 P190	Y188-R204 WeakPolarHBondContact O-CG 3.36Å; D189-R204 IonicContact OD1-NE 3.98Å; D189-R204 IonicContact OD2-CZ 2.7Å; D189-R204 IonicContact OD2-NE 3.88Å; D189-R204 PolarHBondContact OD2-NE 3.47Å; D189-R204 IonicContact OD2-NH2 2.83Å; D189-R204 PolarHBondContact OD2-NH2 2.81Å; P190-R204 HydrophobicContact CG-CB 4.34Å
205	F	89.4	Confident	84.4	Confident	6 Å²	6	53.4 Å²	53.4	3%	0.026	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-147.1	157.2	175.3	59.6	-99.3	0	0	0	112.1	A184 F186 Y188 L203 L211 L226 I237 Y304	A184-F205 HydrophobicContact CB-CD2 3.38Å; A184-F205 HydrophobicContact CB-CE2 3.53Å; A184-F205 HydrophobicContact CB-CG 4.35Å; F186-F205 HydrophobicContact CD2-CE2 4.42Å; F186-F205 HydrophobicContact CE1-CE2 4.37Å; F186-F205 HydrophobicContact CE1-CZ 4.43Å; F186-F205 HydrophobicContact CE2-CE2 4.01Å; F186-F205 AromaticContact CE2-CZ 3.94Å; F186-F205 HydrophobicContact CE2-CZ 3.94Å; F186-F205 AromaticContact CZ-CE2 3.98Å; F186-F205 HydrophobicContact CZ-CE2 3.98Å; F186-F205 AromaticContact CZ-CZ 3.74Å; F186-F205 HydrophobicContact CZ-CZ 3.74Å; Y188-F205 VanDerWaalsContact CB-CE1 3.5Å; Y188-F205 VanDerWaalsContact CB-CE2 3.48Å; Y188-F205 HydrophobicContact CD1-CD1 4.09Å; Y188-F205 AromaticContact CD1-CE1 3.56Å; Y188-F205 HydrophobicContact CD1-CE1 3.56Å; Y188-F205 HydrophobicContact CD1-CZ 4.1Å; Y188-F205 HydrophobicContact CG-CD1 4.49Å; Y188-F205 AromaticContact CG-CE1 3.82Å; Y188-F205 HydrophobicContact CG-CE1 3.82Å; Y188-F205 AromaticContact CG-CZ 3.87Å; Y188-F205 HydrophobicContact CG-CZ 3.87Å; Y188-F205 PolarHBondContact N-O 3.44Å; Y188-F205 PolarHBondContact O-N 3.3Å; Y188-F205 VanDerWaalsContact O-N 3.16Å; L203-F205 WeakPolarHBondContact O-CD1 3.34Å; F205-L211 HydrophobicContact CB-CD2 4.19Å; F205-L211 HydrophobicContact CD1-CD1 4.07Å; F205-L211 HydrophobicContact CD1-CD2 4.26Å; F205-L211 HydrophobicContact CE1-CD1 4.08Å; F205-L211 HydrophobicContact CG-CD1 4.28Å; F205-L211 HydrophobicContact CG-CD2 4.29Å; F205-L211 HydrophobicContact CZ-CD1 4.3Å; F205-L226 HydrophobicContact CB-CD2 4.3Å; F205-I237 HydrophobicContact CD1-CG2 4.07Å; F205-I237 HydrophobicContact CE1-CB 4.11Å; F205-I237 HydrophobicContact CE1-CG2 3.68Å; F205-Y304 HydrophobicContact CE2-CE1 4.34Å; F205-Y304 AromaticContact CZ-CE1 3.88Å; F205-Y304 HydrophobicContact CZ-CE1 3.88Å; F205-Y304 WeakPolarHBondContact CZ-OH 3.42Å
206	K	86.4	Confident	84.3	Confident	147 Å²	147	54.4 Å²	54.4	64%	0.639	27%	0.274	S	S	*	.			trans	-106.2	158.5	173.6	-64.9	-174.5	179.6	-178.2	0	111	D187 G208 S209	D187-K206 VanDerWaalsContact OD1-CA 3.28Å; D187-K206 WeakPolarHBondContact OD1-CA 3.4Å; K206-G208 PolarHBondContact O-N 2.88Å; K206-S209 PolarHBondContact N-OG 3Å; K206-S209 WeakPolarHBondContact O-CB 3.43Å; K206-S209 PolarHBondContact O-N 3.29Å; K206-S209 PolarHBondContact O-OG 2.95Å
207	K	80.3	Confident	83.9	Confident	86 Å²	86	59.4 Å²	59.4	37%	0.374	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	130.2	170.7	178.5	-177.6	169.6	-157.2	0	110.2	F186 D187 G486	F186-K207 PolarHBondContact O-N 3.1Å; D187-K207 WeakPolarHBondContact OD1-CB 3.38Å; D187-K207 PolarHBondContact OD1-N 3.42Å; K207-G486 VanDerWaalsContact CE-O 3.27Å; K207-G486 WeakPolarHBondContact CE-O 3.5Å; K207-G486 PolarHBondContact NZ-O 3.09Å
208	G	75.3	Confident	83.8	Confident	30 Å²	30	57 Å²	57	31%	0.309	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.8	-11.6	-175.7	0	0	0	0	0	114.6	A184 K206	A184-G208 PolarHBondContact O-N 2.96Å; K206-G208 PolarHBondContact O-N 2.88Å
209	S	85.1	Confident	83.8	Confident	30 Å²	30	57.9 Å²	57.9	21%	0.21	29%	0.291	C	S	.	.			trans	-63.9	144.2	176	-52.7	0	0	0	0	111.1	A184 K206	A184-S209 PolarHBondContact N-O 3Å; K206-S209 PolarHBondContact N-OG 3Å; K206-S209 WeakPolarHBondContact O-CB 3.43Å; K206-S209 PolarHBondContact O-N 3.29Å; K206-S209 PolarHBondContact O-OG 2.95Å
210	I	85	Confident	83.7	Confident	27 Å²	27	55 Å²	55	14%	0.138	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	125	176.4	-48.6	-57.3	0	0	0	108.2	F181 L182 R183 D227 L307 W518	F181-I210 HydrophobicContact CD1-CG2 4.33Å; L182-I210 CarbonylContact O-C 3.6Å; L182-I210 WeakPolarHBondContact O-CA 3.46Å; R183-I210 HydrophobicContact CB-CD1 4.32Å; R183-I210 HydrophobicContact CG-CD1 4.07Å; I210-D227 HydrophobicContact CB-CB 3.88Å; I210-D227 HydrophobicContact CG2-CB 3.9Å; I210-D227 PolarHBondContact O-N 3.49Å; I210-L307 HydrophobicContact CD1-CD1 3.56Å; I210-L307 HydrophobicContact CG2-CD1 4.16Å; I210-W518 HydrophobicContact CD1-CB 4.15Å; I210-W518 HydrophobicContact CD1-CG 3.92Å; I210-W518 HydrophobicContact CG1-CG 4.15Å; I210-W518 HydrophobicContact CG2-CD2 4.02Å; I210-W518 HydrophobicContact CG2-CE3 4.48Å; I210-W518 HydrophobicContact CG2-CG 4.4Å; I210-W518 HydrophobicContact CG2-CZ2 4.06Å
211	L	88.4	Confident	83.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	120.3	-176.2	-56.9	175.9	0	0	0	108.7	F181 L182 A184 L203 F205 A224 K225 L226 I237 Y304	F181-L211 CarbonylContact C-O 3.59Å; F181-L211 WeakPolarHBondContact CA-O 3.27Å; L182-L211 HydrophobicContact CB-CB 4.41Å; L182-L211 PolarHBondContact N-O 2.96Å; L182-L211 PolarHBondContact O-N 3.4Å; A184-L211 HydrophobicContact CB-CD1 4.32Å; L203-L211 HydrophobicContact CD2-CD2 3.92Å; F205-L211 HydrophobicContact CB-CD2 4.19Å; F205-L211 HydrophobicContact CD1-CD1 4.07Å; F205-L211 HydrophobicContact CD1-CD2 4.26Å; F205-L211 HydrophobicContact CE1-CD1 4.08Å; F205-L211 HydrophobicContact CG-CD1 4.28Å; F205-L211 HydrophobicContact CG-CD2 4.29Å; F205-L211 HydrophobicContact CZ-CD1 4.3Å; L211-A224 HydrophobicContact CB-CB 4.43Å; L211-K225 CarbonylContact C-O 3.58Å; L211-K225 WeakPolarHBondContact CA-O 3.39Å; L211-L226 HydrophobicContact CD2-CD2 3.64Å; L211-L226 HydrophobicContact CD2-CG 4.22Å; L211-I237 HydrophobicContact CD1-CD1 4.03Å; L211-Y304 HydrophobicContact CD1-CD1 4.22Å; L211-Y304 HydrophobicContact CD1-CE1 3.83Å
212	Q	87.3	Confident	84.2	Confident	20 Å²	20	47.8 Å²	47.8	9%	0.093	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	117.8	169.3	-174.7	-177.7	-6.4	0	0	108.9	F181 M214 A224 K225	F181-Q212 HydrophobicContact CD1-CB 3.85Å; F181-Q212 HydrophobicContact CD1-CG 4.06Å; F181-Q212 HydrophobicContact CE1-CB 3.69Å; F181-Q212 HydrophobicContact CE1-CG 3.65Å; F181-Q212 HydrophobicContact CZ-CG 4Å; Q212-M214 HydrophobicContact CG-CE 4.22Å; Q212-A224 CarbonylContact O-C 3.55Å; Q212-A224 WeakPolarHBondContact O-CA 3.47Å; Q212-A224 WeakPolarHBondContact O-CB 3.5Å; Q212-K225 HydrophobicContact CB-CG 3.98Å; Q212-K225 PolarHBondContact N-O 3.37Å; Q212-K225 PolarHBondContact O-N 3.26Å
213	I	87.6	Confident	84.2	Confident	10 Å²	10	47 Å²	47	5%	0.051	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	131.2	175.1	-57.5	-52.7	0	0	0	109.7	V180 L182 Q216 W222 A224 I237	V180-I213 HydrophobicContact CB-CB 4.18Å; V180-I213 HydrophobicContact CB-CG1 4.5Å; V180-I213 HydrophobicContact CG1-CB 4.48Å; V180-I213 HydrophobicContact CG1-CG1 4.27Å; V180-I213 PolarHBondContact O-N 2.88Å; L182-I213 HydrophobicContact CD1-CD1 3.52Å; L182-I213 HydrophobicContact CD1-CG1 3.55Å; L182-I213 HydrophobicContact CG-CD1 4.14Å; L182-I213 HydrophobicContact CG-CG1 3.77Å; I213-Q216 HydrophobicContact CG2-CG 3.56Å; I213-W222 HydrophobicContact CD1-CE3 4.3Å; I213-A224 HydrophobicContact CD1-CB 3.68Å; I213-I237 HydrophobicContact CD1-CD1 3.73Å
214	M	81.8	Confident	84.3	Confident	61 Å²	61	46 Å²	46	30%	0.3	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	-32.7	179.6	-67.7	-100.5	147.3	0	0	111.9	R117 Q212 Q223 K225 A234	R117-M214 HydrophobicContact CB-CB 3.85Å; R117-M214 HydrophobicContact CB-SD 4.43Å; R117-M214 HydrophobicContact CG-CB 4.12Å; Q212-M214 HydrophobicContact CG-CE 4.22Å; M214-Q223 HydrophobicContact CB-CB 4.49Å; M214-Q223 PolarHBondContact N-O 2.99Å; M214-K225 HydrophobicContact CE-CD 3.67Å; M214-K225 VanDerWaalsContact CE-CE 3.45Å; M214-K225 HydrophobicContact CE-CG 3.99Å; M214-A234 HydrophobicContact CB-CB 4.27Å; M214-A234 HydrophobicContact CG-CB 4.18Å
215	S	81.7	Confident	84.2	Confident	4 Å²	4	40.6 Å²	40.6	3%	0.028	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	137.7	176.3	170.1	0	0	0	0	111.1	E217 Q223	S215-E217 VanDerWaalsContact OG-CG 3.25Å; S215-E217 WeakPolarHBondContact OG-CG 3.37Å; S215-E217 PolarHBondContact OG-N 3.22Å; S215-E217 PolarHBondContact OG-OE1 3.47Å; S215-Q223 PolarHBondContact N-O 3.26Å; S215-Q223 PolarHBondContact O-N 3.46Å
216	Q	82.6	Confident	84.1	Confident	70 Å²	70	42.4 Å²	42.4	33%	0.327	22%	0.223	S	C	.	.			trans	-112.6	14.5	174.5	-61	-174	-17.3	0	0	112.8	I213 D218 W222	I213-Q216 HydrophobicContact CG2-CG 3.56Å; Q216-D218 PolarHBondContact O-N 3.46Å; Q216-D218 VanDerWaalsContact O-N 3.13Å; Q216-W222 HydrophobicContact CG-CD2 4.2Å; Q216-W222 HydrophobicContact CG-CG 4.38Å
217	E	76.1	Confident	83.9	Confident	117 Å²	117	38.9 Å²	38.9	55%	0.547	21%	0.211	S	C	.	.			trans	-55.5	-33	-174	-71.8	156.5	-137.3	0	0	113.5	R117 S215	R117-E217 IonicContact CZ-OE1 3.6Å; R117-E217 IonicContact NE-OE1 3.31Å; R117-E217 IonicContact NH2-OE1 3.55Å; R117-E217 PolarHBondContact NH2-OE1 3.25Å; S215-E217 VanDerWaalsContact OG-CG 3.25Å; S215-E217 WeakPolarHBondContact OG-CG 3.37Å; S215-E217 PolarHBondContact OG-N 3.22Å; S215-E217 PolarHBondContact OG-OE1 3.47Å
218	D	79.6	Confident	83.6	Confident	32 Å²	32	38.6 Å²	38.6	17%	0.171	23%	0.233	C	C	.	.	S	Bend	trans	-96.7	128.8	176	173.3	12.4	0	0	0	111.6	R114 Q216 T220 W221 W222	R114-D218 IonicContact CZ-OD2 3.33Å; R114-D218 VanDerWaalsContact CZ-OD2 3.3Å; R114-D218 IonicContact NH1-OD2 3.53Å; R114-D218 PolarHBondContact NH1-OD2 3.05Å; R114-D218 VanDerWaalsContact NH1-OD2 3.16Å; R114-D218 VanDerWaalsContact NH2-CG 3.33Å; R114-D218 IonicContact NH2-OD2 3.71Å; R114-D218 PolarHBondContact NH2-OD2 2.71Å; Q216-D218 PolarHBondContact O-N 3.46Å; Q216-D218 VanDerWaalsContact O-N 3.13Å; D218-T220 PolarHBondContact O-N 3.2Å; D218-T220 PolarHBondContact OD1-N 2.75Å; D218-T220 PolarHBondContact OD1-OG1 3.39Å; D218-T220 PolarHBondContact OD2-OG1 3.36Å; D218-W221 WeakPolarHBondContact CB-O 3.33Å; D218-W221 WeakPolarHBondContact OD2-CB 3.43Å; D218-W221 PolarHBondContact OD2-N 2.99Å; D218-W221 VanDerWaalsContact OD2-N 3.11Å; D218-W222 PolarHBondContact O-NE1 3.46Å
219	A	78.4	Confident	83.8	Confident	66 Å²	66	40.9 Å²	40.9	55%	0.545	24%	0.238	S	C	.	.	S	Bend	trans	-62.5	-22.1	177.7	0	0	0	0	0	113.9	S239	A219-S239 WeakPolarHBondContact O-CB 3.37Å; A219-S239 PolarHBondContact O-OG 2.9Å
220	T	82.3	Confident	83.2	Confident	56 Å²	56	44.2 Å²	44.2	34%	0.344	27%	0.267	S	S	.	.	S	Bend	trans	-106.9	-40.3	-174.6	59	0	0	0	0	114	D218 S239	D218-T220 PolarHBondContact O-N 3.2Å; D218-T220 PolarHBondContact OD1-N 2.75Å; D218-T220 PolarHBondContact OD1-OG1 3.39Å; D218-T220 PolarHBondContact OD2-OG1 3.36Å; T220-S239 WeakPolarHBondContact O-CB 3.4Å; T220-S239 PolarHBondContact O-N 3.05Å; T220-S239 PolarHBondContact O-OG 3.32Å
221	W	86.3	Confident	82.7	Confident	7 Å²	7	46.5 Å²	46.5	3%	0.027	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	110.5	-177.9	-64.2	93.9	0	0	0	112.3	R114 Y188 D193 A195 I196 P197 D218 L236 I237 P238 F242	R114-W221 PolarHBondContact NH1-O 2.95Å; Y188-W221 VanDerWaalsContact OH-CH2 3.3Å; Y188-W221 WeakPolarHBondContact OH-CH2 3.41Å; Y188-W221 VanDerWaalsContact OH-CZ3 3.24Å; Y188-W221 WeakPolarHBondContact OH-CZ3 3.35Å; D193-W221 WeakPolarHBondContact OD2-CH2 3.3Å; A195-W221 VanDerWaalsContact O-CZ2 3.27Å; A195-W221 WeakPolarHBondContact O-CZ2 3.47Å; I196-W221 HydrophobicContact CB-CH2 3.56Å; I196-W221 HydrophobicContact CB-CZ2 3.87Å; I196-W221 HydrophobicContact CB-CZ3 4.08Å; I196-W221 HydrophobicContact CD1-CH2 4.38Å; I196-W221 HydrophobicContact CD1-CZ3 4.04Å; I196-W221 HydrophobicContact CG1-CE3 4.2Å; I196-W221 HydrophobicContact CG1-CH2 3.8Å; I196-W221 HydrophobicContact CG1-CZ2 4.22Å; I196-W221 HydrophobicContact CG1-CZ3 3.8Å; P197-W221 HydrophobicContact CG-CG 4.36Å; D218-W221 WeakPolarHBondContact CB-O 3.33Å; D218-W221 WeakPolarHBondContact OD2-CB 3.43Å; D218-W221 PolarHBondContact OD2-N 2.99Å; D218-W221 VanDerWaalsContact OD2-N 3.11Å; W221-L236 HydrophobicContact CB-CD2 4.33Å; W221-L236 HydrophobicContact CE3-CB 4.14Å; W221-I237 CarbonylContact C-O 3.52Å; W221-I237 WeakPolarHBondContact CA-O 3.49Å; W221-P238 HydrophobicContact CH2-CG 4.14Å; W221-P238 HydrophobicContact CZ3-CB 4.4Å; W221-P238 HydrophobicContact CZ3-CG 3.78Å; W221-F242 AromaticContact CE2-CE1 3.99Å; W221-F242 HydrophobicContact CH2-CE1 4.39Å; W221-F242 HydrophobicContact CZ2-CD1 4.42Å; W221-F242 AromaticContact CZ2-CE1 3.65Å; W221-F242 HydrophobicContact CZ2-CE1 3.65Å
222	W	89.3	Confident	82	Confident	33 Å²	33	49.5 Å²	49.5	13%	0.125	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	152.9	176	-66.2	-13	0	0	0	111.6	L182 I213 Q216 D218 L236 I237 K240	L182-W222 HydrophobicContact CD1-CE3 4.21Å; L182-W222 HydrophobicContact CD1-CZ3 3.87Å; I213-W222 HydrophobicContact CD1-CE3 4.3Å; Q216-W222 HydrophobicContact CG-CD2 4.2Å; Q216-W222 HydrophobicContact CG-CG 4.38Å; D218-W222 PolarHBondContact O-NE1 3.46Å; W222-L236 WeakPolarHBondContact O-CA 3.49Å; W222-I237 HydrophobicContact CB-CD1 4.4Å; W222-I237 HydrophobicContact CB-CG1 3.88Å; W222-I237 PolarHBondContact N-O 3.37Å; W222-I237 PolarHBondContact O-N 2.97Å; W222-K240 HydrophobicContact CH2-CB 3.48Å; W222-K240 VanDerWaalsContact CH2-CB 3.48Å; W222-K240 HydrophobicContact CZ2-CB 4.13Å; W222-K240 HydrophobicContact CZ3-CB 4.01Å
223	Q	87.8	Confident	81.7	Confident	3 Å²	3	51.6 Å²	51.6	1%	0.014	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	122	173.4	-58	-166.8	35.6	0	0	109.5	I115 M116 M214 S215 A234 G235 L236	I115-Q223 PolarHBondContact O-NE2 3.5Å; I115-Q223 PolarHBondContact O-OE1 3.02Å; M116-Q223 VanDerWaalsContact CA-OE1 3.29Å; M214-Q223 HydrophobicContact CB-CB 4.49Å; M214-Q223 PolarHBondContact N-O 2.99Å; S215-Q223 PolarHBondContact N-O 3.26Å; S215-Q223 PolarHBondContact O-N 3.46Å; Q223-A234 HydrophobicContact CB-CB 3.96Å; Q223-G235 WeakPolarHBondContact CA-O 3.33Å; Q223-L236 HydrophobicContact CG-CD2 4.17Å
224	A	89.4	Confident	81.6	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	163.2	-179.1	0	0	0	0	0	111.5	L203 L211 Q212 I213 A234 G235 I237	L203-A224 HydrophobicContact CD2-CB 4.35Å; L211-A224 HydrophobicContact CB-CB 4.43Å; Q212-A224 CarbonylContact O-C 3.55Å; Q212-A224 WeakPolarHBondContact O-CA 3.47Å; Q212-A224 WeakPolarHBondContact O-CB 3.5Å; I213-A224 HydrophobicContact CD1-CB 3.68Å; A224-A234 CarbonylContact O-C 3.5Å; A224-A234 WeakPolarHBondContact O-CA 3.06Å; A224-G235 PolarHBondContact N-O 2.79Å; A224-G235 PolarHBondContact O-N 3.25Å; A224-I237 HydrophobicContact CB-CD1 3.6Å; A224-I237 HydrophobicContact CB-CG1 3.99Å; A224-I237 HydrophobicContact CB-CG2 4.18Å
225	K	88.9	Confident	82	Confident	48 Å²	48	48.7 Å²	48.7	21%	0.209	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	158.7	167.3	69.3	170.8	-171.2	169.4	0	110.6	L211 Q212 M214	L211-K225 CarbonylContact C-O 3.58Å; L211-K225 WeakPolarHBondContact CA-O 3.39Å; Q212-K225 HydrophobicContact CB-CG 3.98Å; Q212-K225 PolarHBondContact N-O 3.37Å; Q212-K225 PolarHBondContact O-N 3.26Å; M214-K225 HydrophobicContact CE-CD 3.67Å; M214-K225 VanDerWaalsContact CE-CE 3.45Å; M214-K225 HydrophobicContact CE-CG 3.99Å
226	L	87.2	Confident	82.3	Confident	43 Å²	43	48.7 Å²	48.7	23%	0.225	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	134.8	171.3	-76.4	161.5	0	0	0	109.9	L203 F205 L211 G228 D229	L203-L226 HydrophobicContact CD1-CD1 4.14Å; L203-L226 HydrophobicContact CD1-CG 4.26Å; L203-L226 HydrophobicContact CD2-CG 4.36Å; F205-L226 HydrophobicContact CB-CD2 4.3Å; L211-L226 HydrophobicContact CD2-CD2 3.64Å; L211-L226 HydrophobicContact CD2-CG 4.22Å; L226-G228 PolarHBondContact O-N 3.27Å; L226-D229 HydrophobicContact CB-CB 4.11Å; L226-D229 PolarHBondContact O-N 3.12Å
227	D	82.1	Confident	82.6	Confident	74 Å²	74	45.3 Å²	45.3	40%	0.396	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	128	172.6	-172.2	46.6	0	0	0	109.9	I210 W518	I210-D227 HydrophobicContact CB-CB 3.88Å; I210-D227 HydrophobicContact CG2-CB 3.9Å; I210-D227 PolarHBondContact O-N 3.49Å; D227-W518 WeakPolarHBondContact OD2-CZ2 3.43Å
228	G	72.9	Confident	83.1	Confident	80 Å²	80	39.8 Å²	39.8	83%	0.825	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.1	-2	-175	0	0	0	0	0	116.1	L226	L226-G228 PolarHBondContact O-N 3.27Å
229	D	79.4	Confident	83.2	Confident	78 Å²	78	38.3 Å²	38.3	42%	0.417	24%	0.244	S	C	.	.			trans	-75.1	137.7	172	-165.4	-2.1	0	0	0	111	L226 N231	L226-D229 HydrophobicContact CB-CB 4.11Å; L226-D229 PolarHBondContact O-N 3.12Å; D229-N231 VanDerWaalsContact C-N 3.25Å; D229-N231 PolarHBondContact O-N 3.03Å; D229-N231 PolarHBondContact OD1-N 3.3Å
230	A	72.8	Confident	83.2	Confident	100 Å²	100	39.1 Å²	39.1	83%	0.826	24%	0.235	S	C	*	.	S	Bend	trans	-73.2	-21.3	177.9	0	0	0	0	0	111.9	P232	A230-P232 VanDerWaalsContact O-CD 3.32Å; A230-P232 WeakPolarHBondContact O-CD 3.35Å
231	N	76	Confident	82.8	Confident	74 Å²	74	43.3 Å²	43.3	40%	0.396	25%	0.251	S	S	.	.			trans	-74.1	118.3	179.2	-167	-3.5	0	0	0	111	D229 R233	D229-N231 VanDerWaalsContact C-N 3.25Å; D229-N231 PolarHBondContact O-N 3.03Å; D229-N231 PolarHBondContact OD1-N 3.3Å; N231-R233 PolarHBondContact O-N 2.98Å; N231-R233 VanDerWaalsContact OD1-CB 3.25Å; N231-R233 WeakPolarHBondContact OD1-CB 3.22Å; N231-R233 PolarHBondContact OD1-N 3.02Å; N231-R233 VanDerWaalsContact OD1-N 3.11Å
232	P	72.2	Confident	82.4	Confident	64 Å²	64	45.4 Å²	45.4	42%	0.416	26%	0.261	S	S	.	.			trans	-72.7	-13.3	177.3	30.7	-36	0	0	0	112.9	A230	A230-P232 VanDerWaalsContact O-CD 3.32Å; A230-P232 WeakPolarHBondContact O-CD 3.35Å
233	R	81.4	Confident	81.8	Confident	64 Å²	64	44.8 Å²	44.8	24%	0.242	26%	0.259	C	S	.	.			trans	-72.4	128	-176	-174.8	-179.3	177.5	-163.1	1.3	111.6	N231	N231-R233 PolarHBondContact O-N 2.98Å; N231-R233 VanDerWaalsContact OD1-CB 3.25Å; N231-R233 WeakPolarHBondContact OD1-CB 3.22Å; N231-R233 PolarHBondContact OD1-N 3.02Å; N231-R233 VanDerWaalsContact OD1-N 3.11Å
234	A	86.5	Confident	81	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.008	27%	0.269	C	S	.	.			trans	-72.1	145.9	169.5	0	0	0	0	0	111.4	M116 R117 M214 Q223 A224	M116-A234 WeakPolarHBondContact CE-O 3.39Å; R117-A234 HydrophobicContact CB-CB 4.1Å; R117-A234 WeakPolarHBondContact O-CB 3.31Å; R117-A234 PolarHBondContact O-N 3.48Å; M214-A234 HydrophobicContact CB-CB 4.27Å; M214-A234 HydrophobicContact CG-CB 4.18Å; Q223-A234 HydrophobicContact CB-CB 3.96Å; A224-A234 CarbonylContact O-C 3.5Å; A224-A234 WeakPolarHBondContact O-CA 3.06Å
235	G	88.6	Confident	80.1	Confident	9 Å²	9	50.4 Å²	50.4	9%	0.093	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	165.3	166.8	0	0	0	0	0	111.6	A201 Q223 A224	A201-G235 CarbonylContact O-C 3.55Å; A201-G235 WeakPolarHBondContact O-CA 3.33Å; Q223-G235 WeakPolarHBondContact CA-O 3.33Å; A224-G235 PolarHBondContact N-O 2.79Å; A224-G235 PolarHBondContact O-N 3.25Å
236	L	88.6	Confident	79.4	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.016	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	131.5	-179.1	-61.6	177.2	0	0	0	110.5	M116 I196 A201 L203 W221 W222 Q223	M116-L236 HydrophobicContact CE-CD2 4.07Å; M116-L236 HydrophobicContact CE-CG 4.1Å; M116-L236 HydrophobicContact SD-CD2 4.26Å; I196-L236 HydrophobicContact CD1-CB 4.37Å; A201-L236 HydrophobicContact CB-CD1 3.93Å; A201-L236 HydrophobicContact CB-CG 4.16Å; A201-L236 PolarHBondContact O-N 3.17Å; L203-L236 PolarHBondContact N-O 3.48Å; W221-L236 HydrophobicContact CB-CD2 4.33Å; W221-L236 HydrophobicContact CE3-CB 4.14Å; W222-L236 WeakPolarHBondContact O-CA 3.49Å; Q223-L236 HydrophobicContact CG-CD2 4.17Å
237	I	89.3	Confident	78.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	148.5	170	65.3	168.7	0	0	0	109.6	L203 F205 L211 I213 W221 W222 A224 S239 Y304	L203-I237 HydrophobicContact CB-CG2 3.85Å; L203-I237 HydrophobicContact CD2-CG2 3.93Å; L203-I237 HydrophobicContact CG-CG2 4.38Å; F205-I237 HydrophobicContact CD1-CG2 4.07Å; F205-I237 HydrophobicContact CE1-CB 4.11Å; F205-I237 HydrophobicContact CE1-CG2 3.68Å; L211-I237 HydrophobicContact CD1-CD1 4.03Å; I213-I237 HydrophobicContact CD1-CD1 3.73Å; W221-I237 CarbonylContact C-O 3.52Å; W221-I237 WeakPolarHBondContact CA-O 3.49Å; W222-I237 HydrophobicContact CB-CD1 4.4Å; W222-I237 HydrophobicContact CB-CG1 3.88Å; W222-I237 PolarHBondContact N-O 3.37Å; W222-I237 PolarHBondContact O-N 2.97Å; A224-I237 HydrophobicContact CB-CD1 3.6Å; A224-I237 HydrophobicContact CB-CG1 3.99Å; A224-I237 HydrophobicContact CB-CG2 4.18Å; I237-S239 PolarHBondContact O-N 2.8Å; I237-Y304 HydrophobicContact CD1-CE1 4.37Å
238	P	86	Confident	77.5	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	134.1	172.8	-23.4	33	0	0	0	110.4	Y188 W221 F242 Q243 Y304	Y188-P238 HydrophobicContact CD2-CG 4.03Å; Y188-P238 HydrophobicContact CE1-CG 4.22Å; Y188-P238 HydrophobicContact CE2-CG 3.61Å; W221-P238 HydrophobicContact CH2-CG 4.14Å; W221-P238 HydrophobicContact CZ3-CB 4.4Å; W221-P238 HydrophobicContact CZ3-CG 3.78Å; P238-F242 HydrophobicContact CB-CD1 4.21Å; P238-Q243 HydrophobicContact CB-CB 4.22Å; P238-Y304 WeakPolarHBondContact O-CE2 3.39Å; P238-Y304 PolarHBondContact O-OH 3.21Å
239	S	82.1	Confident	77	Confident	1 Å²	1	53 Å²	53	1%	0.007	29%	0.285	C	S	.	.			trans	-63.5	161.4	175.1	79.9	0	0	0	0	111.2	A219 T220 I237 Q241 F242 Q243	A219-S239 WeakPolarHBondContact O-CB 3.37Å; A219-S239 PolarHBondContact O-OG 2.9Å; T220-S239 WeakPolarHBondContact O-CB 3.4Å; T220-S239 PolarHBondContact O-N 3.05Å; T220-S239 PolarHBondContact O-OG 3.32Å; I237-S239 PolarHBondContact O-N 2.8Å; S239-Q241 PolarHBondContact O-N 2.79Å; S239-F242 PolarHBondContact O-N 2.78Å; S239-F242 VanDerWaalsContact OG-CB 3.23Å; S239-F242 WeakPolarHBondContact OG-CB 3.29Å; S239-F242 PolarHBondContact OG-N 3.49Å; S239-F242 VanDerWaalsContact OG-N 3.16Å; S239-Q243 VanDerWaalsContact O-CB 3.32Å; S239-Q243 WeakPolarHBondContact O-CB 3.43Å; S239-Q243 PolarHBondContact O-N 3.15Å
240	K	78.4	Confident	76.1	Confident	83 Å²	83	56.6 Å²	56.6	36%	0.361	30%	0.303	S	S	.	.	H	α-helix	trans	-54	-52.4	177.2	178.5	-178.2	170.1	-175.2	0	111.9	W222 Q243 E244 P302	W222-K240 HydrophobicContact CH2-CB 3.48Å; W222-K240 VanDerWaalsContact CH2-CB 3.48Å; W222-K240 HydrophobicContact CZ2-CB 4.13Å; W222-K240 HydrophobicContact CZ3-CB 4.01Å; K240-Q243 PolarHBondContact O-N 2.99Å; K240-E244 WeakPolarHBondContact CE-OE1 3.14Å; K240-E244 VanDerWaalsContact CG-OE1 3.25Å; K240-E244 WeakPolarHBondContact CG-OE1 3.46Å; K240-E244 WeakPolarHBondContact O-CB 3.36Å; K240-E244 VanDerWaalsContact O-CG 3.26Å; K240-E244 WeakPolarHBondContact O-CG 3.43Å; K240-E244 PolarHBondContact O-N 2.78Å; K240-P302 HydrophobicContact CD-CB 4.38Å
241	Q	74.3	Confident	75.1	Confident	144 Å²	144	58.5 Å²	58.5	67%	0.673	29%	0.289	S	S	*	.	H	α-helix	trans	-65.7	-41.7	-177.2	-69.9	-178.6	-27.5	0	0	112	S239 E244 S245	S239-Q241 PolarHBondContact O-N 2.79Å; Q241-E244 PolarHBondContact O-N 3.34Å; Q241-S245 WeakPolarHBondContact O-CB 3.11Å; Q241-S245 PolarHBondContact O-N 2.97Å
242	F	76.8	Confident	73.2	Confident	52 Å²	52	62.2 Å²	62.2	23%	0.228	30%	0.304	C	S	.	.	H	α-helix	trans	-66.1	-41.3	-179.7	-174	-126.7	0	0	0	111.7	A195 W221 P238 S239 S245 R246	A195-F242 HydrophobicContact CB-CZ 4.27Å; W221-F242 AromaticContact CE2-CE1 3.99Å; W221-F242 HydrophobicContact CH2-CE1 4.39Å; W221-F242 HydrophobicContact CZ2-CD1 4.42Å; W221-F242 AromaticContact CZ2-CE1 3.65Å; W221-F242 HydrophobicContact CZ2-CE1 3.65Å; P238-F242 HydrophobicContact CB-CD1 4.21Å; S239-F242 PolarHBondContact O-N 2.78Å; S239-F242 VanDerWaalsContact OG-CB 3.23Å; S239-F242 WeakPolarHBondContact OG-CB 3.29Å; S239-F242 PolarHBondContact OG-N 3.49Å; S239-F242 VanDerWaalsContact OG-N 3.16Å; F242-S245 PolarHBondContact O-N 2.98Å; F242-R246 WeakPolarHBondContact O-CG 3.41Å; F242-R246 PolarHBondContact O-N 2.88Å
243	Q	77.1	Confident	71.5	Confident	19 Å²	19	64.9 Å²	64.9	9%	0.089	32%	0.322	C	S	.	.	H	α-helix	trans	-69.1	-37.9	176.2	-173.8	61.4	-0.6	0	0	112.5	F186 P238 S239 K240 R246 R247 A303 Y304	F186-Q243 HydrophobicContact CE1-CG 3.83Å; F186-Q243 HydrophobicContact CE2-CG 4.35Å; F186-Q243 HydrophobicContact CZ-CG 3.66Å; F186-Q243 VanDerWaalsContact CZ-NE2 3.25Å; P238-Q243 HydrophobicContact CB-CB 4.22Å; S239-Q243 VanDerWaalsContact O-CB 3.32Å; S239-Q243 WeakPolarHBondContact O-CB 3.43Å; S239-Q243 PolarHBondContact O-N 3.15Å; K240-Q243 PolarHBondContact O-N 2.99Å; Q243-R246 PolarHBondContact O-N 3.49Å; Q243-R247 WeakPolarHBondContact O-CG 3.42Å; Q243-R247 PolarHBondContact O-N 3.25Å; Q243-R247 VanDerWaalsContact O-N 3.09Å; Q243-A303 HydrophobicContact CB-CB 4.13Å; Q243-A303 HydrophobicContact CG-CB 3.7Å; Q243-Y304 HydrophobicContact CB-CE2 4.44Å
244	E	71.4	Confident	69.3	Low	47 Å²	47	67 Å²	67	22%	0.22	35%	0.353	C	S	.	.	H	α-helix	trans	-60.8	-47.4	172.7	-75.9	168.2	-174	0	0	110.4	K240 Q241 R246 R247 F248	K240-E244 WeakPolarHBondContact CE-OE1 3.14Å; K240-E244 VanDerWaalsContact CG-OE1 3.25Å; K240-E244 WeakPolarHBondContact CG-OE1 3.46Å; K240-E244 WeakPolarHBondContact O-CB 3.36Å; K240-E244 VanDerWaalsContact O-CG 3.26Å; K240-E244 WeakPolarHBondContact O-CG 3.43Å; K240-E244 PolarHBondContact O-N 2.78Å; Q241-E244 PolarHBondContact O-N 3.34Å; E244-R246 VanDerWaalsContact C-N 3.35Å; E244-R246 PolarHBondContact O-N 2.65Å; E244-R247 WeakPolarHBondContact O-CB 3.44Å; E244-R247 PolarHBondContact O-N 3.2Å; E244-R247 VanDerWaalsContact O-N 3.11Å; E244-F248 HydrophobicContact CB-CE2 4.44Å; E244-F248 WeakPolarHBondContact O-CD2 3.21Å; E244-F248 PolarHBondContact O-N 2.83Å
245	S	70.6	Confident	66.7	Low	75 Å²	75	71 Å²	71	52%	0.524	39%	0.386	S	S	.	.	H	α-helix	trans	-56.8	-43.3	176.2	-171.5	0	0	0	0	112.9	Q241 F242 R247 F248 A249	Q241-S245 WeakPolarHBondContact O-CB 3.11Å; Q241-S245 PolarHBondContact O-N 2.97Å; F242-S245 PolarHBondContact O-N 2.98Å; S245-R247 PolarHBondContact O-N 2.7Å; S245-F248 PolarHBondContact O-N 3.29Å; S245-A249 PolarHBondContact O-N 2.98Å
246	R	73.6	Confident	63.9	Low	56 Å²	56	77.5 Å²	77.5	21%	0.211	42%	0.424	C	S	.	.	H	α-helix	trans	-61.9	-42.3	175.6	-73	171.8	173.5	-157.1	-7.1	112.4	D193 A195 F242 Q243 E244 F248 A249 L250	D193-R246 IonicContact OD1-CZ 2.76Å; D193-R246 IonicContact OD1-NH1 3.71Å; D193-R246 IonicContact OD1-NH2 3.98Å; D193-R246 PolarHBondContact OD1-NH2 2.88Å; D193-R246 IonicContact OD2-CZ 3.3Å; D193-R246 IonicContact OD2-NH1 2.63Å; D193-R246 PolarHBondContact OD2-NH1 3.1Å; D193-R246 IonicContact OD2-NH2 3.99Å; D193-R246 PolarHBondContact OD2-NH2 2.89Å; D193-R246 VanDerWaalsContact OD2-NH2 3.14Å; A195-R246 VanDerWaalsContact CB-NH2 3.32Å; F242-R246 WeakPolarHBondContact O-CG 3.41Å; F242-R246 PolarHBondContact O-N 2.88Å; Q243-R246 PolarHBondContact O-N 3.49Å; E244-R246 VanDerWaalsContact C-N 3.35Å; E244-R246 PolarHBondContact O-N 2.65Å; R246-F248 VanDerWaalsContact C-N 3.31Å; R246-F248 PolarHBondContact O-N 3.34Å; R246-A249 PolarHBondContact O-N 3.24Å; R246-L250 WeakPolarHBondContact O-CG 3.4Å; R246-L250 PolarHBondContact O-N 2.63Å
247	R	67.4	Low	61	Low	81 Å²	81	85.2 Å²	85.2	31%	0.306	47%	0.465	S	S	.	.	H	α-helix	trans	-65.7	-34.2	176.7	-69	176.4	76.7	118.8	4	112.1	Q243 E244 S245 R251	Q243-R247 WeakPolarHBondContact O-CG 3.42Å; Q243-R247 PolarHBondContact O-N 3.25Å; Q243-R247 VanDerWaalsContact O-N 3.09Å; E244-R247 WeakPolarHBondContact O-CB 3.44Å; E244-R247 PolarHBondContact O-N 3.2Å; E244-R247 VanDerWaalsContact O-N 3.11Å; S245-R247 PolarHBondContact O-N 2.7Å; R247-R251 WeakPolarHBondContact O-CG 3.44Å
248	F	62.4	Low	58.2	Low	100 Å²	100	91.2 Å²	91.2	44%	0.439	50%	0.503	S	S	.	.	H	α-helix	trans	-69.3	-43.7	173.3	-79.2	-70.3	0	0	0	112	E244 S245 R246 R251	E244-F248 HydrophobicContact CB-CE2 4.44Å; E244-F248 WeakPolarHBondContact O-CD2 3.21Å; E244-F248 PolarHBondContact O-N 2.83Å; S245-F248 PolarHBondContact O-N 3.29Å; R246-F248 VanDerWaalsContact C-N 3.31Å; R246-F248 PolarHBondContact O-N 3.34Å; F248-R251 PolarHBondContact O-N 3.43Å
249	A	62.7	Low	55.4	Low	63 Å²	63	99.2 Å²	99.2	52%	0.521	55%	0.545	S	S	.	.	H	α-helix	trans	-63.8	-43.3	179.9	0	0	0	0	0	112.8	S245 R246 R251 Q252	S245-A249 PolarHBondContact O-N 2.98Å; R246-A249 PolarHBondContact O-N 3.24Å; A249-R251 PolarHBondContact O-N 3.34Å; A249-Q252 PolarHBondContact O-N 2.87Å
250	L	59.8	Low	52.9	Low	152 Å²	152	107.4 Å²	107.4	80%	0.796	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-15.8	177.9	-72.5	166.7	0	0	0	113.9	R246	R246-L250 WeakPolarHBondContact O-CG 3.4Å; R246-L250 PolarHBondContact O-N 2.63Å
251	R	51	Low	50.5	Low	140 Å²	140	115.5 Å²	115.5	53%	0.528	61%	0.612	S	S	.	*	T	Hydrogen-bonded Turn	trans	-96.9	-1.7	-179.4	-75.4	-177.5	172.5	-164.4	-4.8	113.8	R247 F248 A249 S298	R247-R251 WeakPolarHBondContact O-CG 3.44Å; F248-R251 PolarHBondContact O-N 3.43Å; A249-R251 PolarHBondContact O-N 3.34Å; R251-S298 PolarHBondContact NH1-OG 3.39Å
252	Q	37	Very low	48.2	Very low	152 Å²	152	114.9 Å²	114.9	71%	0.71	62%	0.618	S	S	*	*	S	Bend	trans	-71.8	127.3	170	-68.7	-166.9	12.4	0	0	109.3	A249 A254	A249-Q252 PolarHBondContact O-N 2.87Å; Q252-A254 PolarHBondContact O-N 2.97Å
253	P	36.9	Very low	46	Very low	121 Å²	121	120.9 Å²	120.9	79%	0.786	65%	0.651	S	S	*	*			trans	-59.4	128.9	168.1	-14.5	27.1	0	0	0	108.4	A255	P253-A255 PolarHBondContact O-N 2.95Å
254	A	35.2	Very low	43.6	Very low	108 Å²	108	125.4 Å²	125.4	89%	0.893	69%	0.685	S	S	*	*	S	Bend	trans	-64.4	95.6	171.8	0	0	0	0	0	109.5	Q252	Q252-A254 PolarHBondContact O-N 2.97Å
255	A	32.4	Very low	41.5	Very low	86 Å²	86	134.6 Å²	134.6	71%	0.711	72%	0.718	S	S	*	*			trans	163.6	104	145.3	0	0	0	0	0	111.1	P253	P253-A255 PolarHBondContact O-N 2.95Å
256	T	28.7	Very low	39.3	Very low	145 Å²	145	142.2 Å²	142.2	89%	0.89	74%	0.735	S	S	*	*				-166.9	128.4	114.6	3.8	0	0	0	0	109
257	L	28.5	Very low	37.3	Very low	165 Å²	165	145 Å²	145	86%	0.864	76%	0.76	S	S	*	*			trans	-53.5	144.4	177.1	-69	149	0	0	0	111.1	L259	L257-L259 PolarHBondContact O-N 2.71Å; L257-L259 VanDerWaalsContact O-N 3.16Å
258	P	29.7	Very low	35.2	Very low	125 Å²	125	146 Å²	146	81%	0.812	78%	0.78	S	S	*	*			trans	-73.9	109.8	176.9	26.6	-25.8	0	0	0	109.7	Q260	P258-Q260 PolarHBondContact O-N 2.9Å
259	L	28.3	Very low	33.3	Very low	168 Å²	168	146.9 Å²	146.9	88%	0.88	80%	0.798	S	S	*	*			trans	-69.1	124.7	166.4	-161.9	76.1	0	0	0	108.4	L257 R261	L257-L259 PolarHBondContact O-N 2.71Å; L257-L259 VanDerWaalsContact O-N 3.16Å; L259-R261 PolarHBondContact O-N 3.45Å
260	Q	29.7	Very low	31.5	Very low	174 Å²	174	152.6 Å²	152.6	81%	0.813	81%	0.814	S	S	*	*			trans	-48.9	127.8	178	-75.2	174.5	-53.9	0	0	111.8	P258 T262	P258-Q260 PolarHBondContact O-N 2.9Å; Q260-T262 PolarHBondContact O-N 2.94Å
261	R	28	Very low	29.8	Very low	252 Å²	252	151.8 Å²	151.8	95%	0.951	81%	0.811	S	S	*	*			trans	-73.5	100.8	166	-71.1	170.3	80.1	158.6	2.2	108.2	L259	L259-R261 PolarHBondContact O-N 3.45Å
262	T	25.9	Very low	28.6	Very low	131 Å²	131	155.4 Å²	155.4	80%	0.804	82%	0.824	S	S	*	*			trans	-96.8	127.8	157.7	52.5	0	0	0	0	108.9	Q260	Q260-T262 PolarHBondContact O-N 2.94Å
263	L	29.8	Very low	28.1	Very low	178 Å²	178	153.3 Å²	153.3	93%	0.932	83%	0.827	S	S	*	*			trans	-72	123	173.9	-76.3	152.4	0	0	0	109.3
264	S	26.8	Very low	27.5	Very low	114 Å²	114	152.8 Å²	152.8	80%	0.797	83%	0.826	S	S	*	*			trans	-161.2	111	147.3	-156.5	0	0	0	0	112.9
265	R	26.4	Very low	27.1	Very low	241 Å²	241	154.7 Å²	154.7	91%	0.909	82%	0.82	S	S	*	*			trans	36	116.4	133.2	-128.6	166.5	160.3	-176.5	-7.4	120.2
266	R	25.3	Very low	26.7	Very low	235 Å²	235	158.1 Å²	158.1	89%	0.887	83%	0.825	S	S	*	*			trans	-47.7	164.5	158.4	-81	-171.3	-169.9	-179.4	4.1	113.6
267	P	30.6	Very low	26.5	Very low	114 Å²	114	156.5 Å²	156.5	74%	0.74	82%	0.819	S	S	*	*			cis	-154.2	164.8	46.1	41.8	-19.1	0	0	0	121.7
268	S	23.5	Very low	26.3	Very low	102 Å²	102	159 Å²	159	71%	0.713	82%	0.817	S	S	*	*			trans	40.3	125.6	144.3	62.9	0	0	0	0	122.8
269	S	24.3	Very low	26.1	Very low	118 Å²	118	158.8 Å²	158.8	83%	0.825	82%	0.819	S	S	*	*				177.3	156.8	106.8	40.4	0	0	0	0	112.8
270	E	23.2	Very low	25.8	Very low	183 Å²	183	159 Å²	159	86%	0.855	81%	0.813	S	S	*	*			trans	-39.7	145.7	177.8	-63.4	160.6	147.3	0	0	116.8
271	D	25.6	Very low	25.6	Very low	136 Å²	136	157.4 Å²	157.4	73%	0.727	82%	0.816	S	S	*	*				175	139.8	103	-120.8	-21.4	0	0	0	115.5
272	R	25.9	Very low	25.4	Very low	215 Å²	215	152.2 Å²	152.2	81%	0.811	81%	0.812	S	S	*	*			trans	26.3	121.3	146	-72.3	168	-170.5	-141	-0.5	125.3
273	S	24.8	Very low	25.3	Very low	109 Å²	109	151.2 Å²	151.2	76%	0.762	81%	0.81	S	S	*	*				30.1	128.5	124.5	64.8	0	0	0	0	124.1
274	S	25.3	Very low	25.1	Very low	109 Å²	109	148.7 Å²	148.7	76%	0.762	81%	0.807	S	S	*	*			trans	179.1	114.3	134.3	54.2	0	0	0	0	110
275	I	26.3	Very low	25.1	Very low	149 Å²	149	147.9 Å²	147.9	76%	0.764	80%	0.802	S	S	*	*				67.6	111.1	85.5	-64.5	-178.1	0	0	0	115.5
276	L	25.2	Very low	25.1	Very low	158 Å²	158	142 Å²	142	83%	0.827	79%	0.788	S	S	*	*			trans	55.2	131.7	144.9	-52.6	169.1	0	0	0	118.9
277	S	22.6	Very low	25.1	Very low	110 Å²	110	135.4 Å²	135.4	77%	0.769	77%	0.774	S	S	*	*				175.2	144.9	62.2	38.7	0	0	0	0	112.4
278	R	25.7	Very low	25.3	Very low	218 Å²	218	135.9 Å²	135.9	82%	0.823	77%	0.766	S	S	*	*			trans	5.8	135.6	152.4	-66.3	171.8	172.6	174.4	-2.1	120.4	F280	R278-F280 HydrophobicContact CG-CE2 4.41Å
279	S	24.3	Very low	25.5	Very low	121 Å²	121	136.5 Å²	136.5	85%	0.846	76%	0.761	S	S	*	*				-148	131.7	123.9	47.1	0	0	0	0	111.3
280	F	22.6	Very low	26	Very low	172 Å²	172	134.5 Å²	134.5	75%	0.754	75%	0.747	S	S	*	*			trans	-80.2	134.9	176	-76.6	-99.2	0	0	0	109.4	R278	R278-F280 HydrophobicContact CG-CE2 4.41Å
281	T	24.8	Very low	26.2	Very low	141 Å²	141	130.5 Å²	130.5	87%	0.865	74%	0.737	S	S	*	*			trans	-130.3	121.9	149.9	41.2	0	0	0	0	108.8
282	T	24.9	Very low	26.3	Very low	142 Å²	142	134 Å²	134	87%	0.871	75%	0.745	S	S	*	*			trans	-68.8	122.8	178.9	41	0	0	0	0	111.2
283	S	24	Very low	26.4	Very low	110 Å²	110	126.9 Å²	126.9	77%	0.769	74%	0.739	S	S	*	*			trans	-143.3	122.5	155	61	0	0	0	0	109.7	S285	S283-S285 PolarHBondContact O-N 3.13Å
284	S	26.1	Very low	26.4	Very low	125 Å²	125	129.5 Å²	129.5	87%	0.874	74%	0.739	S	S	*	*			trans	-72.7	111.2	-179.7	39.8	0	0	0	0	110
285	S	26.7	Very low	26.6	Very low	98 Å²	98	136.2 Å²	136.2	69%	0.685	75%	0.748	S	S	*	*			trans	-152.9	137.5	168.1	-70.3	0	0	0	0	107.7	S283 T287	S283-S285 PolarHBondContact O-N 3.13Å; S285-T287 PolarHBondContact O-N 3.39Å
286	L	26.5	Very low	26.8	Very low	116 Å²	116	137 Å²	137	61%	0.607	75%	0.746	S	S	*	*			trans	-53.3	103	179.6	-72.9	155.1	0	0	0	109.7	H288 Y390	L286-H288 PolarHBondContact O-N 2.9Å; L286-H288 VanDerWaalsContact O-N 3.15Å; L286-Y390 HydrophobicContact CD2-CD2 3.83Å; L286-Y390 HydrophobicContact CD2-CE2 4.41Å
287	T	24.1	Very low	27	Very low	98 Å²	98	132.8 Å²	132.8	60%	0.601	73%	0.73	S	S	*	*			trans	-80.3	97	178.1	49.9	0	0	0	0	108.8	S285 N289	S285-T287 PolarHBondContact O-N 3.39Å; T287-N289 PolarHBondContact O-N 2.89Å
288	H	34.8	Very low	27.6	Very low	123 Å²	123	130.8 Å²	130.8	57%	0.569	72%	0.716	S	S	*	*			trans	-67.2	96.6	162.1	-70.9	-81.7	0	0	0	108.4	L286 C290	L286-H288 PolarHBondContact O-N 2.9Å; L286-H288 VanDerWaalsContact O-N 3.15Å; H288-C290 PolarHBondContact O-N 3.49Å
289	N	27.3	Very low	28	Very low	115 Å²	115	123.6 Å²	123.6	62%	0.615	70%	0.699	S	S	*	*			trans	-86.7	101.4	174.4	-77.2	-25	0	0	0	109.6	T287	T287-N289 PolarHBondContact O-N 2.89Å
290	C	34.5	Very low	28.8	Very low	77 Å²	77	121.8 Å²	121.8	52%	0.52	69%	0.686	S	S	.	*			trans	-96.2	148.2	160.4	-161.5	0	0	0	0	107.6	H288 K292	H288-C290 PolarHBondContact O-N 3.49Å; C290-K292 PolarHBondContact O-N 2.85Å
291	P	28.1	Very low	30	Very low	99 Å²	99	116.1 Å²	116.1	64%	0.643	66%	0.661	S	S	*	*			trans	-55.9	117.6	-176.8	-21.1	32	0	0	0	110.7	G293	P291-G293 PolarHBondContact O-N 2.91Å
292	K	28.8	Very low	31.3	Very low	208 Å²	208	111.3 Å²	111.3	90%	0.904	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	83.8	170.8	-69.6	-179.7	-179.8	177.2	0	107.8	C290	C290-K292 PolarHBondContact O-N 2.85Å
293	G	27.1	Very low	32.8	Very low	67 Å²	67	104.7 Å²	104.7	69%	0.691	59%	0.592	S	S	*	*	T	Hydrogen-bonded Turn	trans	-167.2	4.2	-171	0	0	0	0	0	116.9	P291	P291-G293 PolarHBondContact O-N 2.91Å
294	E	25.4	Very low	34.3	Very low	163 Å²	163	99.7 Å²	99.7	76%	0.762	56%	0.556	S	S	*	*			trans	-139	121.1	165.1	-93.4	176.4	172.8	0	0	107.5	F296	E294-F296 VanDerWaalsContact C-N 3.25Å; E294-F296 PolarHBondContact O-N 3.39Å
295	R	28.4	Very low	35.8	Very low	251 Å²	251	94.3 Å²	94.3	95%	0.947	52%	0.518	S	S	*	.			trans	-57.8	100.7	164.2	-66.7	179.4	-166.2	168	4.5	105.5	S297	R295-S297 VanDerWaalsContact C-N 3.33Å; R295-S297 PolarHBondContact O-N 3.45Å
296	F	30.2	Very low	37.5	Very low	165 Å²	165	94 Å²	94	72%	0.724	51%	0.508	S	S	*	.			trans	-52.1	100	177.3	-84.6	-89.6	0	0	0	108.1	E294 S298	E294-F296 VanDerWaalsContact C-N 3.25Å; E294-F296 PolarHBondContact O-N 3.39Å; F296-S298 PolarHBondContact O-N 2.82Å
297	S	29.5	Very low	38.9	Very low	70 Å²	70	89 Å²	89	49%	0.49	48%	0.482	S	S	.	.			trans	-69.3	113.4	174.9	69	0	0	0	0	105.6	R295 S299	R295-S297 VanDerWaalsContact C-N 3.33Å; R295-S297 PolarHBondContact O-N 3.45Å; S297-S299 WeakPolarHBondContact CB-OG 3.4Å; S297-S299 PolarHBondContact O-N 2.83Å; S297-S299 PolarHBondContact OG-OG 3.04Å
298	S	34.9	Very low	40.4	Very low	68 Å²	68	85.4 Å²	85.4	48%	0.476	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	14.2	167.9	178	0	0	0	0	112.6	R251 F296	R251-S298 PolarHBondContact NH1-OG 3.39Å; F296-S298 PolarHBondContact O-N 2.82Å
299	S	35.3	Very low	41.2	Very low	67 Å²	67	83.7 Å²	83.7	47%	0.469	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-8.1	-178	76.2	0	0	0	0	114	S297 F301	S297-S299 WeakPolarHBondContact CB-OG 3.4Å; S297-S299 PolarHBondContact O-N 2.83Å; S297-S299 PolarHBondContact OG-OG 3.04Å; S299-F301 VanDerWaalsContact C-N 3.34Å; S299-F301 PolarHBondContact O-N 2.9Å
300	C	39.8	Very low	42.3	Very low	83 Å²	83	80.9 Å²	80.9	56%	0.561	45%	0.45	S	S	*	.	S	Bend	trans	-78.9	-0	-167.3	-63.1	0	0	0	0	116.8
301	F	48.5	Very low	43.1	Very low	52 Å²	52	81.4 Å²	81.4	23%	0.228	45%	0.447	C	S	.	.	S	Bend	trans	-120.6	113.6	176	-69.6	-83.2	0	0	0	111.1	S299 A303 K422 H487 L488	S299-F301 VanDerWaalsContact C-N 3.34Å; S299-F301 PolarHBondContact O-N 2.9Å; F301-A303 PolarHBondContact O-N 3.03Å; F301-K422 HydrophobicContact CE2-CD 3.45Å; F301-K422 VanDerWaalsContact CE2-CD 3.45Å; F301-K422 HydrophobicContact CE2-CG 3.93Å; F301-K422 HydrophobicContact CZ-CB 4.02Å; F301-K422 HydrophobicContact CZ-CD 3.5Å; F301-K422 VanDerWaalsContact CZ-CD 3.5Å; F301-K422 HydrophobicContact CZ-CG 3.44Å; F301-K422 VanDerWaalsContact CZ-CG 3.44Å; F301-H487 AromaticContact CG-NE2 3.81Å; F301-L488 HydrophobicContact CD1-CD2 3.98Å; F301-L488 HydrophobicContact CE1-CD2 3.65Å; F301-L488 HydrophobicContact CZ-CD2 4.21Å
302	P	53	Low	44.1	Very low	40 Å²	40	85.1 Å²	85.1	26%	0.26	45%	0.448	S	S	.	.			trans	-63.9	136.1	175.1	26.9	-32.4	0	0	0	109	K240 Y304 P305	K240-P302 HydrophobicContact CD-CB 4.38Å; P302-Y304 PolarHBondContact O-N 3.46Å; P302-P305 HydrophobicContact CG-CB 4.46Å
303	A	56.4	Low	45.4	Very low	4 Å²	4	76.3 Å²	76.3	3%	0.033	41%	0.409	C	S	.	.	S	Bend	trans	-55.3	-25.3	175.2	0	0	0	0	0	112.4	F186 Q243 F301	F186-A303 HydrophobicContact CE1-CB 4.15Å; Q243-A303 HydrophobicContact CB-CB 4.13Å; Q243-A303 HydrophobicContact CG-CB 3.7Å; F301-A303 PolarHBondContact O-N 3.03Å
304	Y	55.7	Low	46	Very low	5 Å²	5	78.5 Å²	78.5	2%	0.02	41%	0.412	C	S	.	.	S	Bend	trans	-132.6	99	175.1	-56.4	-83.1	0	0	0	110.6	L182 F186 F205 L211 I237 P238 Q243 P302	L182-Y304 HydrophobicContact CD1-CD1 4.36Å; L182-Y304 HydrophobicContact CD1-CG 4.07Å; F186-Y304 AromaticContact CE1-CE1 3.92Å; F186-Y304 HydrophobicContact CE1-CE1 3.92Å; F186-Y304 HydrophobicContact CE1-CE2 4.16Å; F186-Y304 AromaticContact CE1-CZ 3.75Å; F186-Y304 HydrophobicContact CZ-CE1 4.16Å; F186-Y304 HydrophobicContact CZ-CE2 4.32Å; F186-Y304 AromaticContact CZ-CZ 3.71Å; F186-Y304 WeakPolarHBondContact CZ-OH 3.11Å; F205-Y304 HydrophobicContact CE2-CE1 4.34Å; F205-Y304 AromaticContact CZ-CE1 3.88Å; F205-Y304 HydrophobicContact CZ-CE1 3.88Å; F205-Y304 WeakPolarHBondContact CZ-OH 3.42Å; L211-Y304 HydrophobicContact CD1-CD1 4.22Å; L211-Y304 HydrophobicContact CD1-CE1 3.83Å; I237-Y304 HydrophobicContact CD1-CE1 4.37Å; P238-Y304 WeakPolarHBondContact O-CE2 3.39Å; P238-Y304 PolarHBondContact O-OH 3.21Å; Q243-Y304 HydrophobicContact CB-CE2 4.44Å; P302-Y304 PolarHBondContact O-N 3.46Å
305	P	57.3	Low	47.1	Very low	11 Å²	11	73.7 Å²	73.7	7%	0.071	41%	0.407	C	S	.	.			trans	-67.3	132.9	168.3	26.1	-34.4	0	0	0	110.4	L182 R183 L185 P302	L182-P305 WeakPolarHBondContact CA-O 3.45Å; R183-P305 HydrophobicContact CB-CG 4.19Å; R183-P305 PolarHBondContact N-O 2.9Å; R183-P305 VanDerWaalsContact N-O 3.17Å; R183-P305 VanDerWaalsContact O-CD 3.32Å; R183-P305 WeakPolarHBondContact O-CD 3.47Å; L185-P305 HydrophobicContact CD1-CG 3.96Å; L185-P305 HydrophobicContact CD2-CG 4.14Å; L185-P305 HydrophobicContact CG-CG 4.01Å; P302-P305 HydrophobicContact CG-CB 4.46Å
306	L	60.9	Low	48	Very low	93 Å²	93	62.8 Å²	62.8	49%	0.487	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	133.2	169.8	-71.8	159.2	0	0	0	110.2	V180 L182 P520 V521	V180-L306 HydrophobicContact CG1-CD2 3.25Å; L182-L306 HydrophobicContact CD2-CB 4.39Å; L182-L306 HydrophobicContact CD2-CD2 3.49Å; L182-L306 VanDerWaalsContact CD2-CD2 3.49Å; L182-L306 HydrophobicContact CD2-CG 3.92Å; L306-P520 CarbonylContact O-C 3.58Å; L306-P520 VanDerWaalsContact O-CA 3.24Å; L306-P520 WeakPolarHBondContact O-CA 3.33Å; L306-V521 HydrophobicContact CB-CB 4.34Å; L306-V521 HydrophobicContact CB-CG2 3.77Å; L306-V521 PolarHBondContact O-N 3.36Å
307	L	56.8	Low	49.1	Very low	10 Å²	10	60.5 Å²	60.5	5%	0.052	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143.8	177.8	-57.5	176.9	0	0	0	111.4	F181 R183 I210 W518 V519 V521	F181-L307 HydrophobicContact CB-CB 4.3Å; F181-L307 PolarHBondContact O-N 3.32Å; R183-L307 HydrophobicContact CB-CD1 3.58Å; R183-L307 HydrophobicContact CB-CD2 4.04Å; R183-L307 HydrophobicContact CB-CG 4.01Å; R183-L307 HydrophobicContact CG-CD1 4.48Å; I210-L307 HydrophobicContact CD1-CD1 3.56Å; I210-L307 HydrophobicContact CG2-CD1 4.16Å; L307-W518 HydrophobicContact CB-CB 4.39Å; L307-W518 HydrophobicContact CB-CE3 3.82Å; L307-W518 HydrophobicContact CD1-CB 3.56Å; L307-W518 HydrophobicContact CD1-CD2 4.2Å; L307-W518 HydrophobicContact CD1-CE3 4.16Å; L307-W518 HydrophobicContact CD1-CG 3.99Å; L307-W518 HydrophobicContact CD2-CB 4.31Å; L307-W518 HydrophobicContact CG-CB 4.32Å; L307-V519 CarbonylContact C-O 3.55Å; L307-V519 WeakPolarHBondContact CA-O 3.26Å; L307-V521 VanDerWaalsContact C-CG2 3.43Å
308	S	56	Low	50.5	Low	22 Å²	22	57.9 Å²	57.9	15%	0.154	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	160.6	165.2	-67.1	0	0	0	0	110.7	V519 V521 T524	S308-V519 PolarHBondContact N-O 3.14Å; S308-V521 WeakPolarHBondContact OG-CA 3.48Å; S308-V521 WeakPolarHBondContact OG-CG2 3.47Å; S308-T524 VanDerWaalsContact CB-CG2 3.42Å; S308-T524 VanDerWaalsContact OG-CG2 3.3Å; S308-T524 WeakPolarHBondContact OG-CG2 3.45Å; S308-T524 PolarHBondContact OG-OG1 3.29Å
309	C	50.5	Low	51.7	Low	87 Å²	87	54.7 Å²	54.7	59%	0.588	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-44.1	146.8	176.9	-61.3	0	0	0	0	112.6	L311	C309-L311 PolarHBondContact O-N 2.64Å
310	P	51.8	Low	53	Low	56 Å²	56	51.6 Å²	51.6	36%	0.364	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	115	-179	-22.9	32.2	0	0	0	111	H517 W518	P310-H517 WeakPolarHBondContact CA-O 3.39Å; P310-W518 HydrophobicContact CG-CD2 3.92Å; P310-W518 HydrophobicContact CG-CE3 4.36Å; P310-W518 HydrophobicContact CG-CG 4.45Å; P310-W518 HydrophobicContact CG-CH2 4.14Å; P310-W518 HydrophobicContact CG-CZ2 3.67Å; P310-W518 HydrophobicContact CG-CZ3 4.45Å
311	L	50.8	Low	53.8	Low	88 Å²	88	47.6 Å²	47.6	46%	0.461	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	140.7	175.6	-79.7	145.7	0	0	0	108.2	C309 R313 H517 V519 T524	C309-L311 PolarHBondContact O-N 2.64Å; L311-R313 PolarHBondContact O-N 3.11Å; L311-H517 PolarHBondContact N-O 2.9Å; L311-H517 VanDerWaalsContact N-O 3.16Å; L311-H517 PolarHBondContact O-N 2.73Å; L311-V519 HydrophobicContact CD1-CG2 4.1Å; L311-T524 HydrophobicContact CD1-CG2 3.63Å
312	R	48.3	Very low	54.3	Low	178 Å²	178	45.2 Å²	45.2	67%	0.672	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	122.2	160.9	-79.7	-172.2	174.6	-148.7	-2	106.8	C314 T516	R312-C314 VanDerWaalsContact C-N 3.26Å; R312-C314 PolarHBondContact O-N 2.89Å; R312-T516 HydrophobicContact CG-CG2 3.81Å
313	R	56.5	Low	54.3	Low	22 Å²	22	43.3 Å²	43.3	8%	0.083	25%	0.25	C	C	.	.			trans	-68.1	94.6	165.9	-67.1	-169.6	-173.6	-168.4	7.8	105.7	L311 G315 K430 E490	L311-R313 PolarHBondContact O-N 3.11Å; R313-G315 PolarHBondContact O-N 2.79Å; R313-G315 VanDerWaalsContact O-N 3.13Å; R313-K430 PolarHBondContact NH1-O 2.85Å; R313-E490 IonicContact NH2-OE1 2.71Å; R313-E490 IonicContact NH2-OE2 3.85Å
314	C	40.8	Very low	54.3	Low	113 Å²	113	44 Å²	44	76%	0.764	25%	0.254	S	S	*	.			trans	-58.2	120.8	177	-102.6	0	0	0	0	108.5	R312 A316	R312-C314 VanDerWaalsContact C-N 3.26Å; R312-C314 PolarHBondContact O-N 2.89Å; C314-A316 PolarHBondContact O-N 3.34Å
315	G	48.6	Very low	54.5	Low	63 Å²	63	44.5 Å²	44.5	65%	0.649	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	118.2	-171.4	0	0	0	0	0	111.6	R313	R313-G315 PolarHBondContact O-N 2.79Å; R313-G315 VanDerWaalsContact O-N 3.13Å
316	A	47.1	Very low	55	Low	21 Å²	21	44.1 Å²	44.1	17%	0.174	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	156.5	-16.8	159.8	0	0	0	0	0	112.9	C314 K409	C314-A316 PolarHBondContact O-N 3.34Å; A316-K409 HydrophobicContact CB-CB 3.56Å; A316-K409 HydrophobicContact CB-CD 4.19Å; A316-K409 HydrophobicContact CB-CG 3.76Å
317	Q	52.9	Low	55.4	Low	117 Å²	117	44.6 Å²	44.6	55%	0.547	27%	0.269	S	S	.	.			trans	-118.5	26.4	-169.5	-62.5	-177.1	-3.6	0	0	114.4
318	S	59.1	Low	56	Low	15 Å²	15	45.8 Å²	45.8	11%	0.105	28%	0.284	C	S	.	.			trans	-104	123.3	-179.6	-62.3	0	0	0	0	110.5
319	C	59	Low	56.9	Low	1 Å²	1	44.8 Å²	44.8	1%	0.007	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	130	165.6	-72.4	0	0	0	0	110	F429 P431 F432	C319-F429 HydrophobicContact CB-CB 4.48Å; C319-F429 WeakPolarHBondContact CB-O 3.49Å; C319-F429 PolarHBondContact N-O 3.47Å; C319-F429 VanDerWaalsContact N-O 3.1Å; C319-P431 CarbonylContact O-C 3.58Å; C319-P431 VanDerWaalsContact O-CA 3.26Å; C319-P431 WeakPolarHBondContact O-CA 3.36Å; C319-F432 PolarHBondContact O-N 3Å
320	L	62.9	Low	58.2	Low	2 Å²	2	41.9 Å²	41.9	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	108.7	163.6	-176.2	65.2	0	0	0	108.4	Q322 L338 V411 C412 L413 L414 F432 V434 L509	L320-Q322 HydrophobicContact CD2-CG 4.33Å; L320-Q322 HydrophobicContact CG-CG 4.38Å; L320-L338 HydrophobicContact CD2-CD1 4.39Å; L320-V411 HydrophobicContact CB-CG1 4.07Å; L320-C412 CarbonylContact C-O 3.54Å; L320-C412 WeakPolarHBondContact CA-O 3.36Å; L320-C412 PolarHBondContact N-O 2.85Å; L320-C412 VanDerWaalsContact O-O 3.05Å; L320-L413 HydrophobicContact CB-CD2 4.04Å; L320-L413 HydrophobicContact CD2-CD2 3.37Å; L320-L413 HydrophobicContact CG-CD2 4.24Å; L320-L414 PolarHBondContact O-N 2.79Å; L320-F432 HydrophobicContact CD1-CB 4.27Å; L320-F432 HydrophobicContact CD1-CD1 3.53Å; L320-F432 HydrophobicContact CD1-CE1 4.38Å; L320-F432 HydrophobicContact CD1-CG 4.35Å; L320-F432 WeakPolarHBondContact CD1-O 3.24Å; L320-V434 HydrophobicContact CD1-CG2 3.86Å; L320-L509 HydrophobicContact CD1-CD2 3.63Å; L320-L509 HydrophobicContact CD2-CD1 4.12Å; L320-L509 HydrophobicContact CD2-CD2 3.86Å; L320-L509 HydrophobicContact CG-CD2 4.21Å
321	C	57.9	Low	59.5	Low	0 Å²	0	39.9 Å²	39.9	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	107.8	170.2	-62.7	0	0	0	0	107.8	G323 V416 L424 P431 F432 V433 V434	C321-G323 PolarHBondContact O-N 3.36Å; C321-V416 HydrophobicContact CB-CG2 4.2Å; C321-L424 VanDerWaalsContact SG-CD1 3.52Å; C321-P431 HydrophobicContact CB-CB 4.31Å; C321-P431 WeakPolarHBondContact SG-CB 3.34Å; C321-F432 PolarHBondContact N-O 3.41Å; C321-V433 HydrophobicContact CB-CG2 4.27Å; C321-V433 VanDerWaalsContact O-CA 3.26Å; C321-V433 WeakPolarHBondContact O-CA 3.44Å; C321-V434 PolarHBondContact O-N 2.9Å
322	Q	58	Low	61	Low	1 Å²	1	40.5 Å²	40.5	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	113.9	162.7	-72.2	170.7	12.2	0	0	105.5	L320 M331 L414 V416	L320-Q322 HydrophobicContact CD2-CG 4.33Å; L320-Q322 HydrophobicContact CG-CG 4.38Å; Q322-M331 HydrophobicContact CB-CE 3.99Å; Q322-M331 HydrophobicContact CB-CG 4.31Å; Q322-M331 HydrophobicContact CB-SD 3.81Å; Q322-M331 HydrophobicContact CG-SD 3.96Å; Q322-M331 PolarHBondContact OE1-SD 2.95Å; Q322-L414 PolarHBondContact N-O 3.35Å; Q322-V416 PolarHBondContact O-N 3.16Å
323	G	53.7	Low	62.6	Low	0 Å²	0	35.2 Å²	35.2	0%	0	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-61.8	154.6	171.3	0	0	0	0	0	108.5	C321 G325 M331 V434	C321-G323 PolarHBondContact O-N 3.36Å; G323-G325 PolarHBondContact O-N 3.47Å; G323-M331 VanDerWaalsContact O-CE 3.27Å; G323-M331 WeakPolarHBondContact O-CE 3.43Å; G323-V434 PolarHBondContact N-O 2.92Å
324	P	56.6	Low	64	Low	19 Å²	19	34.2 Å²	34.2	12%	0.123	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-66	116.9	-176.3	33.5	-29.4	0	0	0	106.9	V416 P418 M481	P324-V416 WeakPolarHBondContact CD-O 3.24Å; P324-P418 HydrophobicContact CG-CG 3.78Å; P324-M481 HydrophobicContact CB-CE 4.48Å; P324-M481 HydrophobicContact CG-CE 4Å; P324-M481 HydrophobicContact CG-SD 4.36Å
325	G	59.8	Low	66	Low	15 Å²	15	30.5 Å²	30.5	16%	0.155	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-69.4	155.1	162.9	0	0	0	0	0	108.2	G323 S327	G323-G325 PolarHBondContact O-N 3.47Å; G325-S327 PolarHBondContact O-N 2.98Å
326	P	66.7	Low	67.7	Low	4 Å²	4	34 Å²	34	3%	0.026	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-46.3	140.9	163.8	-23.4	27.8	0	0	0	111	G328 V329 M474 T477 A478	P326-G328 PolarHBondContact O-N 3.06Å; P326-V329 HydrophobicContact CB-CG2 3.78Å; P326-V329 HydrophobicContact CG-CG2 4.01Å; P326-V329 WeakPolarHBondContact O-CB 3.39Å; P326-V329 WeakPolarHBondContact O-CG2 3.31Å; P326-V329 PolarHBondContact O-N 3.34Å; P326-V329 VanDerWaalsContact O-N 3.14Å; P326-M474 HydrophobicContact CB-CB 4.26Å; P326-M474 HydrophobicContact CB-CG 3.4Å; P326-M474 VanDerWaalsContact CB-CG 3.4Å; P326-M474 WeakPolarHBondContact CB-O 3.49Å; P326-M474 HydrophobicContact CG-CG 4.2Å; P326-M474 VanDerWaalsContact CG-O 3.29Å; P326-M474 WeakPolarHBondContact CG-O 3.47Å; P326-T477 HydrophobicContact CB-CG2 4.36Å; P326-T477 HydrophobicContact CG-CG2 4.42Å; P326-A478 HydrophobicContact CG-CB 3.65Å
327	S	70.4	Confident	69.6	Low	102 Å²	102	36.3 Å²	36.3	71%	0.713	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.7	132.1	179.6	51.7	0	0	0	0	110.4	G325	G325-S327 PolarHBondContact O-N 2.98Å
328	G	68.2	Low	71.2	Confident	36 Å²	36	30.7 Å²	30.7	37%	0.371	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	2.1	-179.3	0	0	0	0	0	115.5	P326 G330 R448	P326-G328 PolarHBondContact O-N 3.06Å; G328-G330 PolarHBondContact O-N 3.5Å; G328-R448 PolarHBondContact O-NH1 3.14Å; G328-R448 VanDerWaalsContact O-NH1 3.16Å
329	V	75.9	Confident	72.5	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.006	19%	0.187	C	C	.	.	S	Bend	trans	-70.9	-15.1	173.6	172.9	0	0	0	0	113.1	P326 V436 P438 R448 M474 N495	P326-V329 HydrophobicContact CB-CG2 3.78Å; P326-V329 HydrophobicContact CG-CG2 4.01Å; P326-V329 WeakPolarHBondContact O-CB 3.39Å; P326-V329 WeakPolarHBondContact O-CG2 3.31Å; P326-V329 PolarHBondContact O-N 3.34Å; P326-V329 VanDerWaalsContact O-N 3.14Å; V329-V436 HydrophobicContact CG1-CB 4.28Å; V329-V436 HydrophobicContact CG1-CG1 3.6Å; V329-P438 HydrophobicContact CG2-CB 4.19Å; V329-P438 HydrophobicContact CG2-CG 4.37Å; V329-R448 PolarHBondContact O-NH2 3.17Å; V329-M474 HydrophobicContact CG2-CG 3.81Å; V329-M474 HydrophobicContact CG2-SD 3.57Å; V329-M474 VanDerWaalsContact CG2-SD 3.57Å; V329-N495 HydrophobicContact CG1-CB 4.22Å; V329-N495 PolarHBondContact O-ND2 3.01Å
330	G	77	Confident	73.9	Confident	26 Å²	26	39.5 Å²	39.5	27%	0.268	22%	0.219	S	C	.	.	S	Bend	trans	94.1	17.8	178.1	0	0	0	0	0	114.9	G328 N332 E333 L334	G328-G330 PolarHBondContact O-N 3.5Å; G330-N332 VanDerWaalsContact C-N 3.33Å; G330-N332 PolarHBondContact O-N 2.95Å; G330-E333 WeakPolarHBondContact O-CB 3.37Å; G330-E333 PolarHBondContact O-N 3.42Å; G330-L334 PolarHBondContact O-N 2.86Å; G330-L334 VanDerWaalsContact O-N 3.15Å
331	M	79.5	Confident	75.1	Confident	14 Å²	14	42.2 Å²	42.2	7%	0.069	24%	0.239	C	C	.	.	H	α-helix	trans	-56	-45	178.2	-167.6	69.2	86	0	0	112.8	Q322 G323 E333 L334 K335 V436	Q322-M331 HydrophobicContact CB-CE 3.99Å; Q322-M331 HydrophobicContact CB-CG 4.31Å; Q322-M331 HydrophobicContact CB-SD 3.81Å; Q322-M331 HydrophobicContact CG-SD 3.96Å; Q322-M331 PolarHBondContact OE1-SD 2.95Å; G323-M331 VanDerWaalsContact O-CE 3.27Å; G323-M331 WeakPolarHBondContact O-CE 3.43Å; M331-E333 PolarHBondContact O-N 2.91Å; M331-L334 PolarHBondContact O-N 3.14Å; M331-L334 VanDerWaalsContact O-N 3.16Å; M331-K335 PolarHBondContact O-N 3.04Å; M331-V436 HydrophobicContact CE-CB 3.55Å; M331-V436 HydrophobicContact CE-CG2 3.47Å; M331-V436 VanDerWaalsContact CE-CG2 3.47Å; M331-V436 HydrophobicContact SD-CB 4.14Å; M331-V436 HydrophobicContact SD-CG2 3.61Å
332	N	81.5	Confident	76.4	Confident	101 Å²	101	45.3 Å²	45.3	54%	0.54	26%	0.255	S	S	.	.	H	α-helix	trans	-60.1	-30.4	177.7	-71	-22.9	0	0	0	113	G330 R336	G330-N332 VanDerWaalsContact C-N 3.33Å; G330-N332 PolarHBondContact O-N 2.95Å; N332-R336 WeakPolarHBondContact O-CB 3.32Å; N332-R336 WeakPolarHBondContact O-CG 3.19Å; N332-R336 PolarHBondContact O-N 2.81Å; N332-R336 VanDerWaalsContact O-N 3.07Å; N332-R336 PolarHBondContact O-NE 3.04Å
333	E	83.1	Confident	77.7	Confident	66 Å²	66	48.9 Å²	48.9	31%	0.308	28%	0.278	S	S	.	.	H	α-helix	trans	-74.9	-43.2	177.4	-163.1	59.4	-154	0	0	111.2	G330 M331 K335 R336 K337 L498	G330-E333 WeakPolarHBondContact O-CB 3.37Å; G330-E333 PolarHBondContact O-N 3.42Å; M331-E333 PolarHBondContact O-N 2.91Å; E333-K335 VanDerWaalsContact C-N 3.34Å; E333-K335 PolarHBondContact O-N 2.88Å; E333-R336 PolarHBondContact O-N 3.06Å; E333-R336 IonicContact OE2-CZ 3.81Å; E333-R336 IonicContact OE2-NE 2.87Å; E333-R336 IonicContact OE2-NH1 3.35Å; E333-R336 IonicContact OE2-NH2 3.72Å; E333-R336 PolarHBondContact OE2-NH2 2.77Å; E333-K337 WeakPolarHBondContact O-CB 3.27Å; E333-K337 PolarHBondContact O-N 2.8Å; E333-L498 HydrophobicContact CB-CD2 4.33Å; E333-L498 HydrophobicContact CG-CD1 4.05Å; E333-L498 HydrophobicContact CG-CD2 4.44Å
334	L	84.5	Confident	79.2	Confident	1 Å²	1	56.9 Å²	56.9	1%	0.005	32%	0.316	C	S	.	.	H	α-helix	trans	-60.7	-43.7	173.8	-68.2	173.5	0	0	0	111.3	G330 M331 K337 L338 V436 L498 A501 F502 L505	G330-L334 PolarHBondContact O-N 2.86Å; G330-L334 VanDerWaalsContact O-N 3.15Å; M331-L334 PolarHBondContact O-N 3.14Å; M331-L334 VanDerWaalsContact O-N 3.16Å; L334-K337 PolarHBondContact O-N 3.05Å; L334-L338 WeakPolarHBondContact O-CG 3.12Å; L334-L338 PolarHBondContact O-N 3.46Å; L334-V436 HydrophobicContact CD1-CG1 4.26Å; L334-V436 HydrophobicContact CD1-CG2 4.27Å; L334-L498 HydrophobicContact CD2-CD2 4.24Å; L334-L498 HydrophobicContact CG-CD2 4.31Å; L334-A501 HydrophobicContact CD2-CB 4.31Å; L334-F502 HydrophobicContact CD2-CB 3.95Å; L334-L505 HydrophobicContact CB-CD2 4.49Å
335	K	83.9	Confident	80.5	Confident	36 Å²	36	58.5 Å²	58.5	16%	0.157	32%	0.322	C	S	.	.	H	α-helix	trans	-60.6	-46.1	176	-173.7	178.4	-177.1	173.3	0	112	M331 E333 L338 L339 L413	M331-K335 PolarHBondContact O-N 3.04Å; E333-K335 VanDerWaalsContact C-N 3.34Å; E333-K335 PolarHBondContact O-N 2.88Å; K335-L338 PolarHBondContact O-N 3.23Å; K335-L339 PolarHBondContact O-N 3Å; K335-L413 VanDerWaalsContact CE-O 3.24Å; K335-L413 WeakPolarHBondContact CE-O 3.48Å; K335-L413 HydrophobicContact CG-CB 4.29Å; K335-L413 HydrophobicContact CG-CD1 4.18Å; K335-L413 PolarHBondContact NZ-O 2.8Å; K335-L413 VanDerWaalsContact NZ-O 3.11Å
336	R	84.9	Confident	81.8	Confident	135 Å²	135	58.3 Å²	58.3	51%	0.509	32%	0.317	S	S	.	.	H	α-helix	trans	-63.2	-44.9	176.3	-80.2	-173.4	-74.9	168.1	-2.7	111.9	N332 E333 L338 L339 I340	N332-R336 WeakPolarHBondContact O-CB 3.32Å; N332-R336 WeakPolarHBondContact O-CG 3.19Å; N332-R336 PolarHBondContact O-N 2.81Å; N332-R336 VanDerWaalsContact O-N 3.07Å; N332-R336 PolarHBondContact O-NE 3.04Å; E333-R336 PolarHBondContact O-N 3.06Å; E333-R336 IonicContact OE2-CZ 3.81Å; E333-R336 IonicContact OE2-NE 2.87Å; E333-R336 IonicContact OE2-NH1 3.35Å; E333-R336 IonicContact OE2-NH2 3.72Å; E333-R336 PolarHBondContact OE2-NH2 2.77Å; R336-L338 VanDerWaalsContact C-N 3.33Å; R336-L338 PolarHBondContact O-N 2.98Å; R336-L339 PolarHBondContact O-N 3.5Å; R336-I340 VanDerWaalsContact O-CG1 3.31Å; R336-I340 WeakPolarHBondContact O-CG1 3.44Å; R336-I340 PolarHBondContact O-N 2.89Å
337	K	86.6	Confident	82.7	Confident	70 Å²	70	58.6 Å²	58.6	30%	0.304	32%	0.32	S	S	.	.	H	α-helix	trans	-59.5	-41.3	175.6	-79.6	-169.3	173.6	-173	0	112.3	E333 L334 I340 S341 F502	E333-K337 WeakPolarHBondContact O-CB 3.27Å; E333-K337 PolarHBondContact O-N 2.8Å; L334-K337 PolarHBondContact O-N 3.05Å; K337-I340 PolarHBondContact O-N 3.24Å; K337-S341 VanDerWaalsContact O-CB 3.28Å; K337-S341 WeakPolarHBondContact O-CB 3.44Å; K337-S341 PolarHBondContact O-N 3.48Å; K337-S341 PolarHBondContact O-OG 3.27Å; K337-F502 HydrophobicContact CB-CD2 3.78Å; K337-F502 HydrophobicContact CB-CE2 3.72Å; K337-F502 HydrophobicContact CD-CD2 4.48Å
338	L	86.3	Confident	83.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-61.3	-47.5	175.8	-77.3	172.1	0	0	0	111.3	L320 L334 K335 R336 I340 S341 D342 F346 L413 F502 L505 L509	L320-L338 HydrophobicContact CD2-CD1 4.39Å; L334-L338 WeakPolarHBondContact O-CG 3.12Å; L334-L338 PolarHBondContact O-N 3.46Å; K335-L338 PolarHBondContact O-N 3.23Å; R336-L338 VanDerWaalsContact C-N 3.33Å; R336-L338 PolarHBondContact O-N 2.98Å; L338-I340 VanDerWaalsContact C-N 3.33Å; L338-I340 PolarHBondContact O-N 3.49Å; L338-S341 WeakPolarHBondContact CA-OG 3.28Å; L338-S341 PolarHBondContact O-N 3.02Å; L338-S341 PolarHBondContact O-OG 3.36Å; L338-D342 PolarHBondContact O-N 2.99Å; L338-F346 HydrophobicContact CB-CD2 4.39Å; L338-F346 HydrophobicContact CB-CE2 4.44Å; L338-F346 HydrophobicContact CD2-CE2 4.11Å; L338-F346 HydrophobicContact CD2-CZ 4.03Å; L338-F346 VanDerWaalsContact O-CD2 3.29Å; L338-F346 WeakPolarHBondContact O-CD2 3.25Å; L338-L413 HydrophobicContact CB-CD1 4.01Å; L338-L413 HydrophobicContact CD1-CD2 4.13Å; L338-F502 HydrophobicContact CB-CE2 4.44Å; L338-F502 HydrophobicContact CD2-CD2 4.31Å; L338-F502 HydrophobicContact CD2-CE2 3.63Å; L338-F502 HydrophobicContact CD2-CZ 4.29Å; L338-F502 HydrophobicContact CG-CD2 4.35Å; L338-F502 HydrophobicContact CG-CE2 3.84Å; L338-L505 HydrophobicContact CD1-CD2 3.58Å; L338-L505 HydrophobicContact CD1-CG 4.17Å; L338-L505 HydrophobicContact CG-CD2 4.36Å; L338-L509 HydrophobicContact CD1-CD1 4.35Å; L338-L509 HydrophobicContact CD2-CD1 4.08Å
339	L	86.4	Confident	84.4	Confident	65 Å²	65	55.1 Å²	55.1	34%	0.34	29%	0.287	S	S	.	.	H	α-helix	trans	-62.1	-39.3	-179.9	-171.7	65.1	0	0	0	112.6	K335 R336 P343 F346 V348	K335-L339 PolarHBondContact O-N 3Å; R336-L339 PolarHBondContact O-N 3.5Å; L339-P343 WeakPolarHBondContact O-CA 3.36Å; L339-P343 WeakPolarHBondContact O-CG 3.38Å; L339-F346 HydrophobicContact CD1-CB 4.41Å; L339-V348 HydrophobicContact CD1-CG2 4.2Å; L339-V348 HydrophobicContact CD2-CG2 4.11Å
340	I	88.3	Confident	85	Confident	136 Å²	136	57.1 Å²	57.1	70%	0.697	30%	0.297	S	S	*	.	H	α-helix	trans	-72.4	-36.8	177.8	-65.3	165	0	0	0	111	R336 K337 L338	R336-I340 VanDerWaalsContact O-CG1 3.31Å; R336-I340 WeakPolarHBondContact O-CG1 3.44Å; R336-I340 PolarHBondContact O-N 2.89Å; K337-I340 PolarHBondContact O-N 3.24Å; L338-I340 VanDerWaalsContact C-N 3.33Å; L338-I340 PolarHBondContact O-N 3.49Å
341	S	88.4	Confident	85.7	Confident	59 Å²	59	57.5 Å²	57.5	41%	0.413	30%	0.295	S	S	.	.	H	α-helix	trans	-66.8	-37.2	-177.6	69	0	0	0	0	113.4	K337 L338	K337-S341 VanDerWaalsContact O-CB 3.28Å; K337-S341 WeakPolarHBondContact O-CB 3.44Å; K337-S341 PolarHBondContact O-N 3.48Å; K337-S341 PolarHBondContact O-OG 3.27Å; L338-S341 WeakPolarHBondContact CA-OG 3.28Å; L338-S341 PolarHBondContact O-N 3.02Å; L338-S341 PolarHBondContact O-OG 3.36Å
342	D	85.1	Confident	86.3	Confident	64 Å²	64	58.1 Å²	58.1	34%	0.342	30%	0.298	S	S	.	.			trans	-148.2	84.5	177.3	-166.2	-20.2	0	0	0	111.9	L338 Q344 H345 F346	L338-D342 PolarHBondContact O-N 2.99Å; D342-Q344 PolarHBondContact O-N 2.77Å; D342-Q344 PolarHBondContact OD1-N 3.33Å; D342-H345 HydrophobicContact CB-CB 4.04Å; D342-H345 PolarHBondContact O-N 2.8Å; D342-H345 VanDerWaalsContact OD1-CB 3.27Å; D342-H345 WeakPolarHBondContact OD1-CB 3.45Å; D342-H345 PolarHBondContact OD1-N 3.42Å; D342-H345 WeakPolarHBondContact OD2-CB 3.31Å; D342-H345 IonicContact OD2-CG 3.9Å; D342-F346 HydrophobicContact CB-CD2 3.92Å; D342-F346 HydrophobicContact CB-CE2 4.01Å; D342-F346 WeakPolarHBondContact O-CD2 3.37Å; D342-F346 PolarHBondContact O-N 3.07Å
343	P	85.6	Confident	86.9	Confident	77 Å²	77	53.3 Å²	53.3	50%	0.5	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.7	-179.4	-17.7	30	0	0	0	113.9	L339 K410	L339-P343 WeakPolarHBondContact O-CA 3.36Å; L339-P343 WeakPolarHBondContact O-CG 3.38Å; P343-K410 PolarHBondContact O-NZ 3.44Å
344	Q	85	Confident	87.4	Confident	167 Å²	167	50.9 Å²	50.9	78%	0.78	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-36.4	179.3	-66.4	-165.7	5.2	0	0	110.6	D342 K410	D342-Q344 PolarHBondContact O-N 2.77Å; D342-Q344 PolarHBondContact OD1-N 3.33Å; Q344-K410 WeakPolarHBondContact O-CD 3.41Å; Q344-K410 WeakPolarHBondContact O-CE 3.36Å
345	H	84.4	Confident	87.8	Confident	54 Å²	54	52.5 Å²	52.5	25%	0.25	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-39.7	-178.4	-175	73.9	0	0	0	113.7	D342 K410 V411 E513	D342-H345 HydrophobicContact CB-CB 4.04Å; D342-H345 PolarHBondContact O-N 2.8Å; D342-H345 VanDerWaalsContact OD1-CB 3.27Å; D342-H345 WeakPolarHBondContact OD1-CB 3.45Å; D342-H345 PolarHBondContact OD1-N 3.42Å; D342-H345 WeakPolarHBondContact OD2-CB 3.31Å; D342-H345 IonicContact OD2-CG 3.9Å; H345-K410 CarbonylContact O-C 3.48Å; H345-K410 WeakPolarHBondContact O-CA 3.24Å; H345-K410 WeakPolarHBondContact O-CB 3.27Å; H345-V411 WeakPolarHBondContact NE2-CG2 3.24Å; H345-V411 PolarHBondContact O-N 3.27Å; H345-E513 IonicContact CE1-OE1 2.64Å; H345-E513 PolarHBondContact CE1-OE1 2.96Å; H345-E513 IonicContact CE1-OE2 2.91Å; H345-E513 IonicContact NE2-OE1 3.36Å; H345-E513 PolarHBondContact NE2-OE1 3.19Å; H345-E513 IonicContact NE2-OE2 3Å
346	F	86.8	Confident	88	Confident	11 Å²	11	55.6 Å²	55.6	5%	0.048	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	143.6	-177.9	-62	-66.6	0	0	0	113.2	L338 L339 D342 V411 L413 L509	L338-F346 HydrophobicContact CB-CD2 4.39Å; L338-F346 HydrophobicContact CB-CE2 4.44Å; L338-F346 HydrophobicContact CD2-CE2 4.11Å; L338-F346 HydrophobicContact CD2-CZ 4.03Å; L338-F346 VanDerWaalsContact O-CD2 3.29Å; L338-F346 WeakPolarHBondContact O-CD2 3.25Å; L339-F346 HydrophobicContact CD1-CB 4.41Å; D342-F346 HydrophobicContact CB-CD2 3.92Å; D342-F346 HydrophobicContact CB-CE2 4.01Å; D342-F346 WeakPolarHBondContact O-CD2 3.37Å; D342-F346 PolarHBondContact O-N 3.07Å; F346-V411 HydrophobicContact CD1-CB 3.9Å; F346-V411 HydrophobicContact CD1-CG1 4.05Å; F346-V411 HydrophobicContact CE1-CB 4.17Å; F346-V411 HydrophobicContact CE1-CG1 4.11Å; F346-L413 HydrophobicContact CB-CD1 3.95Å; F346-L413 HydrophobicContact CB-CG 4.27Å; F346-L413 HydrophobicContact CD1-CD1 4.28Å; F346-L413 HydrophobicContact CD1-CD2 3.78Å; F346-L413 HydrophobicContact CD1-CG 4.12Å; F346-L413 HydrophobicContact CE1-CD2 4.27Å; F346-L413 HydrophobicContact CG-CD1 4.21Å; F346-L413 HydrophobicContact CG-CG 4.48Å; F346-L509 HydrophobicContact CE1-CD1 3.89Å; F346-L509 HydrophobicContact CZ-CD1 3.88Å
347	G	85.4	Confident	88.4	Confident	9 Å²	9	54.3 Å²	54.3	9%	0.093	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	154.7	173	0	0	0	0	0	111.6	V411 C412 L413	G347-V411 PolarHBondContact N-O 3.35Å; G347-C412 CarbonylContact O-C 3.59Å; G347-C412 WeakPolarHBondContact O-CA 3.4Å; G347-L413 PolarHBondContact O-N 3.34Å
348	V	86.7	Confident	88.6	Confident	53 Å²	53	56.4 Å²	56.4	32%	0.321	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	143	175.5	-175.2	0	0	0	0	108.6	L339 L413	L339-V348 HydrophobicContact CD1-CG2 4.2Å; L339-V348 HydrophobicContact CD2-CG2 4.11Å; V348-L413 HydrophobicContact CG2-CB 4.38Å
349	T	87.6	Confident	88.4	Confident	12 Å²	12	64.7 Å²	64.7	7%	0.074	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-74.5	142.8	171.7	49.3	0	0	0	0	111.7	P351 T397 L402 V405 C412 L414	T349-P351 WeakPolarHBondContact O-CD 3.34Å; T349-T397 HydrophobicContact CG2-CG2 4.26Å; T349-L402 HydrophobicContact CG2-CB 4.44Å; T349-L402 HydrophobicContact CG2-CD2 3.31Å; T349-L402 HydrophobicContact CG2-CG 3.73Å; T349-V405 HydrophobicContact CG2-CG2 4.45Å; T349-C412 VanDerWaalsContact CG2-SG 3.59Å; T349-L414 WeakPolarHBondContact OG1-CD1 3.19Å
350	I	88.6	Confident	88.5	Confident	44 Å²	44	70.7 Å²	70.7	23%	0.226	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-91.1	117.1	172	-52.1	-177.2	0	0	0	107.5	G364	I350-G364 WeakPolarHBondContact CD1-O 3.25Å
351	P	91.3	Very high	88.6	Confident	33 Å²	33	65.8 Å²	65.8	21%	0.214	34%	0.344	C	S	.	.	P	Polyproline II helix	trans	-72.4	159	176.9	28.8	-32.9	0	0	0	111.5	T349 Y367 H368 G396	T349-P351 WeakPolarHBondContact O-CD 3.34Å; P351-Y367 HydrophobicContact CB-CD1 4.19Å; P351-Y367 HydrophobicContact CB-CE1 4.24Å; P351-Y367 HydrophobicContact CG-CD1 3.61Å; P351-Y367 HydrophobicContact CG-CE1 3.53Å; P351-Y367 CarbonylContact O-C 3.55Å; P351-Y367 VanDerWaalsContact O-CA 3.25Å; P351-Y367 WeakPolarHBondContact O-CA 3.32Å; P351-H368 PolarHBondContact O-N 3.14Å; P351-G396 CarbonylContact C-O 3.58Å; P351-G396 WeakPolarHBondContact CA-O 3.47Å; P351-G396 WeakPolarHBondContact CB-O 3.45Å
352	H	92.6	Very high	88.6	Confident	27 Å²	27	65.8 Å²	65.8	13%	0.125	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	148.1	171.6	-66.4	65.5	0	0	0	110	H368 I370 F375 F384 Y395 G396 S398	H352-H368 CarbonylContact C-O 3.58Å; H352-H368 VanDerWaalsContact CA-O 3.28Å; H352-H368 WeakPolarHBondContact CA-O 3.42Å; H352-H368 HydrophobicContact CB-CB 4.46Å; H352-H368 VanDerWaalsContact CD2-CB 3.41Å; H352-H368 WeakPolarHBondContact CD2-CB 3.39Å; H352-H368 AromaticContact CE1-CD2 3.87Å; H352-H368 AromaticContact NE2-CG 3.91Å; H352-I370 HydrophobicContact CB-CD1 4.09Å; H352-I370 HydrophobicContact CB-CG1 4.34Å; H352-F375 HydrophobicContact CB-CD2 4.48Å; H352-F375 HydrophobicContact CB-CE2 3.96Å; H352-F384 HydrophobicContact CB-CE1 3.89Å; H352-F384 HydrophobicContact CB-CZ 4.07Å; H352-Y395 CarbonylContact O-C 3.54Å; H352-Y395 WeakPolarHBondContact O-CA 3.32Å; H352-G396 PolarHBondContact N-O 3.47Å; H352-G396 PolarHBondContact O-N 3.05Å; H352-S398 PolarHBondContact CE1-OG 2.77Å
353	T	94	Very high	88.7	Confident	0 Å²	0	67 Å²	67	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	148	171.2	-171.8	0	0	0	0	111.9	R355 Y367 H368 F369 I370 Y394 Y395	T353-R355 VanDerWaalsContact C-N 3.31Å; T353-R355 HydrophobicContact CG2-CB 4.18Å; T353-R355 WeakPolarHBondContact OG1-CB 3.25Å; T353-R355 PolarHBondContact OG1-N 2.87Å; T353-R355 VanDerWaalsContact OG1-N 3.12Å; T353-Y367 HydrophobicContact CG2-CD1 3.94Å; T353-Y367 HydrophobicContact CG2-CG 3.83Å; T353-H368 PolarHBondContact N-O 3.23Å; T353-F369 HydrophobicContact CG2-CD1 3.46Å; T353-F369 VanDerWaalsContact CG2-CD1 3.46Å; T353-F369 HydrophobicContact CG2-CE1 3.67Å; T353-F369 HydrophobicContact CG2-CG 4.42Å; T353-I370 PolarHBondContact O-N 3.29Å; T353-Y394 CarbonylContact C-O 3.5Å; T353-Y394 WeakPolarHBondContact CA-O 3.23Å; T353-Y394 PolarHBondContact OG1-O 3.11Å; T353-Y395 WeakPolarHBondContact OG1-CD1 3.38Å; T353-Y395 WeakPolarHBondContact OG1-CE1 3.48Å
354	S	93.1	Very high	88.6	Confident	16 Å²	16	64.6 Å²	64.6	11%	0.112	34%	0.34	C	S	.	.			trans	-85.3	-5.3	168.5	80.2	0	0	0	0	113.6	I370 N393 Y394	S354-I370 VanDerWaalsContact CA-O 3.31Å; S354-I370 WeakPolarHBondContact CA-O 3.18Å; S354-N393 WeakPolarHBondContact OG-CA 3.36Å; S354-Y394 PolarHBondContact N-O 3.36Å; S354-Y394 PolarHBondContact OG-N 2.9Å
355	R	93.1	Very high	88.5	Confident	35 Å²	35	61 Å²	61	13%	0.132	33%	0.329	C	S	.	.	S	Bend	trans	-68.1	141.5	-179.6	-175.4	-179.1	57.1	91	-15.1	109.7	T353 K358 E361 F369 N393 Y395	T353-R355 VanDerWaalsContact C-N 3.31Å; T353-R355 HydrophobicContact CG2-CB 4.18Å; T353-R355 WeakPolarHBondContact OG1-CB 3.25Å; T353-R355 PolarHBondContact OG1-N 2.87Å; T353-R355 VanDerWaalsContact OG1-N 3.12Å; R355-K358 VanDerWaalsContact NH1-CG 3.32Å; R355-E361 IonicContact CZ-OE1 3.72Å; R355-E361 IonicContact CZ-OE2 3.79Å; R355-E361 IonicContact NH1-OE1 3.88Å; R355-E361 IonicContact NH1-OE2 3.52Å; R355-E361 PolarHBondContact NH1-OE2 3.1Å; R355-E361 IonicContact NH2-OE1 3.06Å; R355-E361 PolarHBondContact NH2-OE1 2.92Å; R355-E361 IonicContact NH2-OE2 3.63Å; R355-E361 PolarHBondContact NH2-OE2 3.05Å; R355-F369 VanDerWaalsContact O-CD1 3.24Å; R355-F369 WeakPolarHBondContact O-CD1 3.46Å; R355-N393 WeakPolarHBondContact CA-OD1 3.41Å; R355-N393 HydrophobicContact CB-CB 4.08Å; R355-Y395 WeakPolarHBondContact CD-OH 3.4Å; R355-Y395 PolarHBondContact NE-OH 2.97Å
356	P	88.8	Confident	88.5	Confident	100 Å²	100	62.4 Å²	62.4	65%	0.649	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-61.3	140.1	169.5	24.9	-34.2	0	0	0	111.7
357	K	91.7	Very high	88.7	Confident	109 Å²	109	65 Å²	65	47%	0.474	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-58	132.9	174.8	-179.7	-176.3	176.9	-174.6	0	110.9	E361 F369	K357-E361 WeakPolarHBondContact CE-O 3.38Å; K357-E361 HydrophobicContact CG-CB 4.35Å; K357-E361 PolarHBondContact NZ-O 2.77Å; K357-F369 HydrophobicContact CB-CD1 4.05Å; K357-F369 HydrophobicContact CB-CD2 3.94Å; K357-F369 HydrophobicContact CB-CE1 4.08Å; K357-F369 HydrophobicContact CB-CE2 3.99Å; K357-F369 HydrophobicContact CB-CG 3.97Å; K357-F369 HydrophobicContact CB-CZ 4.04Å; K357-F369 HydrophobicContact CD-CD2 4.31Å; K357-F369 HydrophobicContact CD-CE2 4.29Å; K357-F369 HydrophobicContact CG-CD2 4.06Å; K357-F369 HydrophobicContact CG-CE2 3.76Å; K357-F369 HydrophobicContact CG-CZ 4.01Å
358	K	90.9	Very high	89	Confident	114 Å²	114	67.1 Å²	67.1	50%	0.496	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-84	160.1	170.7	-74.1	165.5	-178.3	-175.6	0	111.1	R355 Q360 E361	R355-K358 VanDerWaalsContact NH1-CG 3.32Å; K358-Q360 PolarHBondContact O-N 3.43Å; K358-Q360 VanDerWaalsContact O-N 3.08Å; K358-E361 HydrophobicContact CB-CG 4.15Å; K358-E361 WeakPolarHBondContact CB-OE2 3.33Å; K358-E361 PolarHBondContact N-OE2 3.1Å; K358-E361 VanDerWaalsContact N-OE2 3.09Å; K358-E361 PolarHBondContact O-N 3.14Å
359	N	83.8	Confident	89.3	Confident	174 Å²	174	66.5 Å²	66.5	93%	0.93	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-25.8	-176.9	-68.7	1.6	0	0	0	115
360	Q	87.9	Confident	89.6	Confident	191 Å²	191	67.6 Å²	67.6	89%	0.893	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	-7.7	-179.7	-65	-179.6	4.1	0	0	113.8	K358	K358-Q360 PolarHBondContact O-N 3.43Å; K358-Q360 VanDerWaalsContact O-N 3.08Å
361	E	89.8	Confident	89.9	Confident	33 Å²	33	68.9 Å²	68.9	15%	0.154	36%	0.364	C	S	.	.			trans	-91.4	158.1	-178.2	-65.5	173	155.1	0	0	109.5	R355 K357 K358 F369	R355-E361 IonicContact CZ-OE1 3.72Å; R355-E361 IonicContact CZ-OE2 3.79Å; R355-E361 IonicContact NH1-OE1 3.88Å; R355-E361 IonicContact NH1-OE2 3.52Å; R355-E361 PolarHBondContact NH1-OE2 3.1Å; R355-E361 IonicContact NH2-OE1 3.06Å; R355-E361 PolarHBondContact NH2-OE1 2.92Å; R355-E361 IonicContact NH2-OE2 3.63Å; R355-E361 PolarHBondContact NH2-OE2 3.05Å; K357-E361 WeakPolarHBondContact CE-O 3.38Å; K357-E361 HydrophobicContact CG-CB 4.35Å; K357-E361 PolarHBondContact NZ-O 2.77Å; K358-E361 HydrophobicContact CB-CG 4.15Å; K358-E361 WeakPolarHBondContact CB-OE2 3.33Å; K358-E361 PolarHBondContact N-OE2 3.1Å; K358-E361 VanDerWaalsContact N-OE2 3.09Å; K358-E361 PolarHBondContact O-N 3.14Å; E361-F369 HydrophobicContact CB-CE2 4.39Å; E361-F369 HydrophobicContact CB-CZ 3.99Å
362	S	88.1	Confident	90	Very high	59 Å²	59	71.6 Å²	71.6	41%	0.413	37%	0.372	S	S	.	.			trans	-126.3	141.7	172.7	-73.2	0	0	0	0	111.1	G364 V365 E366	S362-G364 PolarHBondContact O-N 2.73Å; S362-V365 PolarHBondContact O-N 3.32Å; S362-E366 PolarHBondContact N-OE2 3.24Å; S362-E366 VanDerWaalsContact N-OE2 3.1Å
363	D	88.2	Confident	90	Very high	90 Å²	90	77.3 Å²	77.3	48%	0.481	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-68.6	132.3	178.9	-174.4	59.5	0	0	0	109.8	V365 H368 F369	D363-V365 VanDerWaalsContact C-N 3.31Å; D363-H368 WeakPolarHBondContact OD1-CA 3.44Å; D363-F369 HydrophobicContact CB-CD2 3.99Å; D363-F369 WeakPolarHBondContact OD1-CD2 2.95Å; D363-F369 PolarHBondContact OD1-N 3.2Å
364	G	82.2	Confident	90	Very high	26 Å²	26	81 Å²	81	27%	0.268	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.2	16.7	-175.8	0	0	0	0	0	114.7	I350 S362 Y367	I350-G364 WeakPolarHBondContact CD1-O 3.25Å; S362-G364 PolarHBondContact O-N 2.73Å; G364-Y367 PolarHBondContact N-O 2.62Å
365	V	83.9	Confident	90.1	Very high	91 Å²	91	80.2 Å²	80.2	55%	0.552	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.1	-71.5	169	-177	0	0	0	0	109.9	S362 D363	S362-V365 PolarHBondContact O-N 3.32Å; D363-V365 VanDerWaalsContact C-N 3.31Å
366	E	84.3	Confident	90.1	Very high	84 Å²	84	82 Å²	82	39%	0.393	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-44.5	176.2	-68.2	83.6	-162.6	0	0	112.2	S362	S362-E366 PolarHBondContact N-OE2 3.24Å; S362-E366 VanDerWaalsContact N-OE2 3.1Å
367	Y	90.3	Very high	90.4	Very high	66 Å²	66	79 Å²	79	26%	0.259	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-143.9	154.3	-177.9	-65.8	-88.6	0	0	0	110.7	P351 T353 G364 F369 Y395	P351-Y367 HydrophobicContact CB-CD1 4.19Å; P351-Y367 HydrophobicContact CB-CE1 4.24Å; P351-Y367 HydrophobicContact CG-CD1 3.61Å; P351-Y367 HydrophobicContact CG-CE1 3.53Å; P351-Y367 CarbonylContact O-C 3.55Å; P351-Y367 VanDerWaalsContact O-CA 3.25Å; P351-Y367 WeakPolarHBondContact O-CA 3.32Å; T353-Y367 HydrophobicContact CG2-CD1 3.94Å; T353-Y367 HydrophobicContact CG2-CG 3.83Å; G364-Y367 PolarHBondContact N-O 2.62Å; Y367-F369 HydrophobicContact CD2-CZ 4.49Å; Y367-Y395 HydrophobicContact CD1-CD1 4.35Å; Y367-Y395 AromaticContact CE1-CD1 3.77Å; Y367-Y395 HydrophobicContact CE1-CD1 3.77Å; Y367-Y395 HydrophobicContact CE1-CE1 4.06Å
368	H	92.2	Very high	90.4	Very high	53 Å²	53	74.9 Å²	74.9	25%	0.245	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	113.1	157.5	-74.2	-65.9	0	0	0	109	P351 H352 T353 D363 I370	P351-H368 PolarHBondContact O-N 3.14Å; H352-H368 CarbonylContact C-O 3.58Å; H352-H368 VanDerWaalsContact CA-O 3.28Å; H352-H368 WeakPolarHBondContact CA-O 3.42Å; H352-H368 HydrophobicContact CB-CB 4.46Å; H352-H368 VanDerWaalsContact CD2-CB 3.41Å; H352-H368 WeakPolarHBondContact CD2-CB 3.39Å; H352-H368 AromaticContact CE1-CD2 3.87Å; H352-H368 AromaticContact NE2-CG 3.91Å; T353-H368 PolarHBondContact N-O 3.23Å; D363-H368 WeakPolarHBondContact OD1-CA 3.44Å; H368-I370 PolarHBondContact O-N 3.11Å
369	F	93.4	Very high	90.4	Very high	39 Å²	39	70.9 Å²	70.9	17%	0.171	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	108.4	-177.7	-61.6	-78	0	0	0	109.5	T353 R355 K357 E361 D363 Y367	T353-F369 HydrophobicContact CG2-CD1 3.46Å; T353-F369 VanDerWaalsContact CG2-CD1 3.46Å; T353-F369 HydrophobicContact CG2-CE1 3.67Å; T353-F369 HydrophobicContact CG2-CG 4.42Å; R355-F369 VanDerWaalsContact O-CD1 3.24Å; R355-F369 WeakPolarHBondContact O-CD1 3.46Å; K357-F369 HydrophobicContact CB-CD1 4.05Å; K357-F369 HydrophobicContact CB-CD2 3.94Å; K357-F369 HydrophobicContact CB-CE1 4.08Å; K357-F369 HydrophobicContact CB-CE2 3.99Å; K357-F369 HydrophobicContact CB-CG 3.97Å; K357-F369 HydrophobicContact CB-CZ 4.04Å; K357-F369 HydrophobicContact CD-CD2 4.31Å; K357-F369 HydrophobicContact CD-CE2 4.29Å; K357-F369 HydrophobicContact CG-CD2 4.06Å; K357-F369 HydrophobicContact CG-CE2 3.76Å; K357-F369 HydrophobicContact CG-CZ 4.01Å; E361-F369 HydrophobicContact CB-CE2 4.39Å; E361-F369 HydrophobicContact CB-CZ 3.99Å; D363-F369 HydrophobicContact CB-CD2 3.99Å; D363-F369 WeakPolarHBondContact OD1-CD2 2.95Å; D363-F369 PolarHBondContact OD1-N 3.2Å; Y367-F369 HydrophobicContact CD2-CZ 4.49Å
370	I	94	Very high	90.7	Very high	35 Å²	35	70.1 Å²	70.1	18%	0.179	36%	0.363	C	S	.	.			trans	-120.2	158.9	-179.2	59.2	168.8	0	0	0	111.2	H352 T353 S354 H368 L374 F375 F384	H352-I370 HydrophobicContact CB-CD1 4.09Å; H352-I370 HydrophobicContact CB-CG1 4.34Å; T353-I370 PolarHBondContact O-N 3.29Å; S354-I370 VanDerWaalsContact CA-O 3.31Å; S354-I370 WeakPolarHBondContact CA-O 3.18Å; H368-I370 PolarHBondContact O-N 3.11Å; I370-L374 HydrophobicContact CB-CD2 4.02Å; I370-L374 HydrophobicContact CD1-CD2 3.79Å; I370-L374 HydrophobicContact CG2-CD2 4.12Å; I370-F375 HydrophobicContact CD1-CB 3.82Å; I370-F375 HydrophobicContact CD1-CD2 3.49Å; I370-F375 VanDerWaalsContact CD1-CD2 3.49Å; I370-F375 HydrophobicContact CD1-CE2 4.33Å; I370-F375 HydrophobicContact CD1-CG 3.96Å; I370-F375 HydrophobicContact CG1-CB 4.31Å; I370-F375 HydrophobicContact CG1-CD2 3.84Å; I370-F384 HydrophobicContact CD1-CZ 4.33Å
371	S	94.1	Very high	90.9	Very high	71 Å²	71	66 Å²	66	50%	0.497	35%	0.347	S	S	.	.			trans	-70.6	153.1	176.3	72	0	0	0	0	110.9	H373 L374 F375	S371-H373 VanDerWaalsContact C-N 3.27Å; S371-H373 PolarHBondContact O-N 3.09Å; S371-L374 PolarHBondContact O-N 3.04Å; S371-L374 VanDerWaalsContact O-N 3.14Å; S371-L374 WeakPolarHBondContact OG-CB 3.07Å; S371-L374 PolarHBondContact OG-N 3.33Å; S371-F375 PolarHBondContact O-N 3.16Å
372	K	93.6	Very high	90.8	Very high	91 Å²	91	70.8 Å²	70.8	40%	0.396	37%	0.374	S	S	.	.	H	α-helix	trans	-56.8	-41.6	177.5	-169.2	174.8	-178.5	173	0	112.1	L374 F375 E376 Y394	K372-L374 PolarHBondContact O-N 3.24Å; K372-F375 WeakPolarHBondContact O-CB 3.41Å; K372-F375 PolarHBondContact O-N 3.06Å; K372-E376 WeakPolarHBondContact CE-OE1 3.22Å; K372-E376 WeakPolarHBondContact O-CG 3.4Å; K372-E376 PolarHBondContact O-N 3.05Å; K372-Y394 HydrophobicContact CD-CE2 4.17Å; K372-Y394 HydrophobicContact CG-CD2 3.9Å; K372-Y394 HydrophobicContact CG-CE2 3.8Å
373	H	93.4	Very high	90.8	Very high	147 Å²	147	71.8 Å²	71.8	68%	0.681	37%	0.371	S	S	*	.	H	α-helix	trans	-62	-42.2	176.7	-178.4	-72.9	0	0	0	112.5	S371 F375 E376 A377	S371-H373 VanDerWaalsContact C-N 3.27Å; S371-H373 PolarHBondContact O-N 3.09Å; H373-F375 VanDerWaalsContact C-N 3.35Å; H373-E376 PolarHBondContact O-N 2.81Å; H373-A377 WeakPolarHBondContact O-CB 3.34Å; H373-A377 PolarHBondContact O-N 2.72Å
374	L	93.7	Very high	90.9	Very high	77 Å²	77	68.2 Å²	68.2	40%	0.403	35%	0.351	S	S	.	.	H	α-helix	trans	-68.1	-38.9	177.7	-167.9	143.8	0	0	0	111	I370 S371 K372 A377 D378	I370-L374 HydrophobicContact CB-CD2 4.02Å; I370-L374 HydrophobicContact CD1-CD2 3.79Å; I370-L374 HydrophobicContact CG2-CD2 4.12Å; S371-L374 PolarHBondContact O-N 3.04Å; S371-L374 VanDerWaalsContact O-N 3.14Å; S371-L374 WeakPolarHBondContact OG-CB 3.07Å; S371-L374 PolarHBondContact OG-N 3.33Å; K372-L374 PolarHBondContact O-N 3.24Å; L374-A377 PolarHBondContact O-N 2.81Å; L374-D378 VanDerWaalsContact CD2-OD2 3.3Å; L374-D378 WeakPolarHBondContact CD2-OD2 3.21Å; L374-D378 PolarHBondContact O-N 3.13Å
375	F	95.1	Very high	91.1	Very high	0 Å²	0	67.3 Å²	67.3	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.2	-47.9	174.4	-157.3	-65.2	0	0	0	111.3	H352 I370 S371 K372 H373 A377 D378 I379 F384 Y394	H352-F375 HydrophobicContact CB-CD2 4.48Å; H352-F375 HydrophobicContact CB-CE2 3.96Å; I370-F375 HydrophobicContact CD1-CB 3.82Å; I370-F375 HydrophobicContact CD1-CD2 3.49Å; I370-F375 VanDerWaalsContact CD1-CD2 3.49Å; I370-F375 HydrophobicContact CD1-CE2 4.33Å; I370-F375 HydrophobicContact CD1-CG 3.96Å; I370-F375 HydrophobicContact CG1-CB 4.31Å; I370-F375 HydrophobicContact CG1-CD2 3.84Å; S371-F375 PolarHBondContact O-N 3.16Å; K372-F375 WeakPolarHBondContact O-CB 3.41Å; K372-F375 PolarHBondContact O-N 3.06Å; H373-F375 VanDerWaalsContact C-N 3.35Å; F375-A377 VanDerWaalsContact C-N 3.35Å; F375-A377 PolarHBondContact O-N 3.34Å; F375-D378 PolarHBondContact O-N 2.66Å; F375-I379 HydrophobicContact CD1-CD1 3.58Å; F375-I379 HydrophobicContact CD1-CG1 3.87Å; F375-I379 HydrophobicContact CE1-CD1 3.71Å; F375-I379 HydrophobicContact CE1-CG1 3.89Å; F375-I379 WeakPolarHBondContact O-CG1 3.43Å; F375-I379 PolarHBondContact O-N 3.16Å; F375-F384 AromaticContact CD1-CE2 3.83Å; F375-F384 HydrophobicContact CD1-CE2 3.83Å; F375-F384 HydrophobicContact CD1-CZ 4.24Å; F375-F384 HydrophobicContact CD2-CE2 4.46Å; F375-F384 HydrophobicContact CD2-CZ 4.08Å; F375-F384 HydrophobicContact CE1-CD2 4.02Å; F375-F384 HydrophobicContact CE1-CE1 4.47Å; F375-F384 AromaticContact CE1-CE2 3.62Å; F375-F384 HydrophobicContact CE1-CE2 3.62Å; F375-F384 AromaticContact CE1-CZ 3.89Å; F375-F384 HydrophobicContact CE1-CZ 3.89Å; F375-F384 HydrophobicContact CE2-CE1 4.16Å; F375-F384 HydrophobicContact CE2-CE2 4.28Å; F375-F384 AromaticContact CE2-CZ 3.73Å; F375-F384 HydrophobicContact CE2-CZ 3.73Å; F375-F384 HydrophobicContact CG-CE2 4.22Å; F375-F384 HydrophobicContact CG-CZ 4.3Å; F375-F384 HydrophobicContact CZ-CD1 4.38Å; F375-F384 HydrophobicContact CZ-CD2 4.38Å; F375-F384 AromaticContact CZ-CE1 3.91Å; F375-F384 HydrophobicContact CZ-CE1 3.91Å; F375-F384 AromaticContact CZ-CE2 3.85Å; F375-F384 HydrophobicContact CZ-CE2 3.85Å; F375-F384 AromaticContact CZ-CZ 3.61Å; F375-F384 HydrophobicContact CZ-CZ 3.61Å; F375-Y394 HydrophobicContact CD1-CD2 4.2Å; F375-Y394 HydrophobicContact CD1-CG 4.03Å; F375-Y394 HydrophobicContact CE1-CG 4.26Å; F375-Y394 HydrophobicContact CG-CD2 4.37Å; F375-Y394 HydrophobicContact CG-CG 4.4Å
376	E	92.9	Very high	91.3	Very high	73 Å²	73	65.3 Å²	65.3	34%	0.341	33%	0.325	S	S	.	.	H	α-helix	trans	-61.4	-41.7	177.1	-72.8	169	-172.3	0	0	111.9	K372 H373 D378 I379 H380 Y394	K372-E376 WeakPolarHBondContact CE-OE1 3.22Å; K372-E376 WeakPolarHBondContact O-CG 3.4Å; K372-E376 PolarHBondContact O-N 3.05Å; H373-E376 PolarHBondContact O-N 2.81Å; E376-D378 PolarHBondContact O-N 2.83Å; E376-I379 WeakPolarHBondContact O-CB 3.33Å; E376-I379 PolarHBondContact O-N 3.34Å; E376-H380 PolarHBondContact O-CD2 2.97Å; E376-H380 PolarHBondContact O-N 3.44Å; E376-Y394 HydrophobicContact CG-CE2 4.03Å
377	A	93.9	Very high	91.6	Very high	35 Å²	35	64.9 Å²	64.9	29%	0.289	32%	0.32	S	S	.	.	H	α-helix	trans	-62.2	-41.4	174.3	0	0	0	0	0	112.4	H373 L374 F375 H380 N381	H373-A377 WeakPolarHBondContact O-CB 3.34Å; H373-A377 PolarHBondContact O-N 2.72Å; L374-A377 PolarHBondContact O-N 2.81Å; F375-A377 VanDerWaalsContact C-N 3.35Å; F375-A377 PolarHBondContact O-N 3.34Å; A377-H380 PolarHBondContact O-N 3.33Å; A377-N381 PolarHBondContact O-N 2.87Å; A377-N381 PolarHBondContact O-ND2 2.59Å
378	D	93.1	Very high	91.6	Very high	23 Å²	23	62.7 Å²	62.7	12%	0.123	32%	0.318	C	S	.	.	H	α-helix	trans	-71	-29	177.8	-79.1	-20.3	0	0	0	112.8	L374 F375 E376 N381 N382 K383 F384	L374-D378 VanDerWaalsContact CD2-OD2 3.3Å; L374-D378 WeakPolarHBondContact CD2-OD2 3.21Å; L374-D378 PolarHBondContact O-N 3.13Å; F375-D378 PolarHBondContact O-N 2.66Å; E376-D378 PolarHBondContact O-N 2.83Å; D378-N381 PolarHBondContact O-N 3.11Å; D378-N382 PolarHBondContact O-N 3.16Å; D378-K383 HydrophobicContact CB-CB 4.31Å; D378-K383 HydrophobicContact CB-CD 4.38Å; D378-K383 PolarHBondContact O-N 3.42Å; D378-K383 WeakPolarHBondContact OD1-CD 3.38Å; D378-K383 WeakPolarHBondContact OD1-CE 3.5Å; D378-K383 IonicContact OD1-NZ 2.67Å; D378-K383 PolarHBondContact OD1-NZ 2.84Å; D378-F384 HydrophobicContact CB-CD2 4.14Å; D378-F384 HydrophobicContact CB-CE2 3.52Å; D378-F384 HydrophobicContact CB-CZ 4.3Å
379	I	90.8	Very high	91.4	Very high	31 Å²	31	64 Å²	64	16%	0.159	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-50.2	167.2	-68.7	168	0	0	0	109.9	F375 E376 N381 N382 F384 Y387	F375-I379 HydrophobicContact CD1-CD1 3.58Å; F375-I379 HydrophobicContact CD1-CG1 3.87Å; F375-I379 HydrophobicContact CE1-CD1 3.71Å; F375-I379 HydrophobicContact CE1-CG1 3.89Å; F375-I379 WeakPolarHBondContact O-CG1 3.43Å; F375-I379 PolarHBondContact O-N 3.16Å; E376-I379 WeakPolarHBondContact O-CB 3.33Å; E376-I379 PolarHBondContact O-N 3.34Å; I379-N381 PolarHBondContact O-N 3.22Å; I379-N382 PolarHBondContact O-N 2.93Å; I379-F384 HydrophobicContact CG1-CD2 3.93Å; I379-F384 HydrophobicContact CG1-CE2 4.36Å; I379-Y387 HydrophobicContact CD1-CD2 3.72Å; I379-Y387 HydrophobicContact CD1-CE2 3.81Å; I379-Y387 HydrophobicContact CD1-CG 4.16Å; I379-Y387 HydrophobicContact CG1-CD1 4.2Å; I379-Y387 HydrophobicContact CG1-CD2 4.18Å; I379-Y387 HydrophobicContact CG1-CE1 4.3Å; I379-Y387 HydrophobicContact CG1-CE2 4.28Å; I379-Y387 HydrophobicContact CG1-CG 4.15Å; I379-Y387 HydrophobicContact CG2-CE1 3.96Å; I379-Y387 HydrophobicContact CG2-CE2 4.25Å
380	H	90.1	Very high	91.1	Very high	157 Å²	157	65.3 Å²	65.3	73%	0.727	33%	0.328	S	S	*	.	H	α-helix	trans	-61.2	-30.7	179.5	-77.4	-63.2	0	0	0	113.2	E376 A377 N382	E376-H380 PolarHBondContact O-CD2 2.97Å; E376-H380 PolarHBondContact O-N 3.44Å; A377-H380 PolarHBondContact O-N 3.33Å; H380-N382 VanDerWaalsContact C-N 3.28Å; H380-N382 PolarHBondContact O-N 3.39Å
381	N	90.9	Very high	90.8	Very high	105 Å²	105	69.5 Å²	69.5	56%	0.561	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	8.1	176	-68.5	-42.1	0	0	0	114	A377 D378 I379 K383	A377-N381 PolarHBondContact O-N 2.87Å; A377-N381 PolarHBondContact O-ND2 2.59Å; D378-N381 PolarHBondContact O-N 3.11Å; I379-N381 PolarHBondContact O-N 3.22Å; N381-K383 VanDerWaalsContact C-N 3.26Å; N381-K383 HydrophobicContact CB-CG 4.15Å; N381-K383 PolarHBondContact O-N 3.42Å
382	N	88.1	Confident	90.4	Very high	133 Å²	133	68.1 Å²	68.1	71%	0.711	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	35.4	-179.4	-62.5	-54.6	0	0	0	114.3	D378 I379 H380	D378-N382 PolarHBondContact O-N 3.16Å; I379-N382 PolarHBondContact O-N 2.93Å; H380-N382 VanDerWaalsContact C-N 3.28Å; H380-N382 PolarHBondContact O-N 3.39Å
383	K	89.3	Confident	90.3	Very high	80 Å²	80	65.6 Å²	65.6	35%	0.348	33%	0.333	S	S	.	.			trans	-83.8	-13.6	179.8	-65.8	-165.8	-168	157.5	0	114.2	D378 N381 S398 L399	D378-K383 HydrophobicContact CB-CB 4.31Å; D378-K383 HydrophobicContact CB-CD 4.38Å; D378-K383 PolarHBondContact O-N 3.42Å; D378-K383 WeakPolarHBondContact OD1-CD 3.38Å; D378-K383 WeakPolarHBondContact OD1-CE 3.5Å; D378-K383 IonicContact OD1-NZ 2.67Å; D378-K383 PolarHBondContact OD1-NZ 2.84Å; N381-K383 VanDerWaalsContact C-N 3.26Å; N381-K383 HydrophobicContact CB-CG 4.15Å; N381-K383 PolarHBondContact O-N 3.42Å; K383-S398 CarbonylContact O-C 3.57Å; K383-S398 WeakPolarHBondContact O-CA 3.26Å; K383-L399 PolarHBondContact O-N 3.05Å
384	F	89.4	Confident	90.3	Very high	15 Å²	15	60.6 Å²	60.6	7%	0.066	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	135.7	-179.1	-72.8	-71.7	0	0	0	112.2	H352 I370 F375 D378 I379 Y387	H352-F384 HydrophobicContact CB-CE1 3.89Å; H352-F384 HydrophobicContact CB-CZ 4.07Å; I370-F384 HydrophobicContact CD1-CZ 4.33Å; F375-F384 AromaticContact CD1-CE2 3.83Å; F375-F384 HydrophobicContact CD1-CE2 3.83Å; F375-F384 HydrophobicContact CD1-CZ 4.24Å; F375-F384 HydrophobicContact CD2-CE2 4.46Å; F375-F384 HydrophobicContact CD2-CZ 4.08Å; F375-F384 HydrophobicContact CE1-CD2 4.02Å; F375-F384 HydrophobicContact CE1-CE1 4.47Å; F375-F384 AromaticContact CE1-CE2 3.62Å; F375-F384 HydrophobicContact CE1-CE2 3.62Å; F375-F384 AromaticContact CE1-CZ 3.89Å; F375-F384 HydrophobicContact CE1-CZ 3.89Å; F375-F384 HydrophobicContact CE2-CE1 4.16Å; F375-F384 HydrophobicContact CE2-CE2 4.28Å; F375-F384 AromaticContact CE2-CZ 3.73Å; F375-F384 HydrophobicContact CE2-CZ 3.73Å; F375-F384 HydrophobicContact CG-CE2 4.22Å; F375-F384 HydrophobicContact CG-CZ 4.3Å; F375-F384 HydrophobicContact CZ-CD1 4.38Å; F375-F384 HydrophobicContact CZ-CD2 4.38Å; F375-F384 AromaticContact CZ-CE1 3.91Å; F375-F384 HydrophobicContact CZ-CE1 3.91Å; F375-F384 AromaticContact CZ-CE2 3.85Å; F375-F384 HydrophobicContact CZ-CE2 3.85Å; F375-F384 AromaticContact CZ-CZ 3.61Å; F375-F384 HydrophobicContact CZ-CZ 3.61Å; D378-F384 HydrophobicContact CB-CD2 4.14Å; D378-F384 HydrophobicContact CB-CE2 3.52Å; D378-F384 HydrophobicContact CB-CZ 4.3Å; I379-F384 HydrophobicContact CG1-CD2 3.93Å; I379-F384 HydrophobicContact CG1-CE2 4.36Å; F384-Y387 HydrophobicContact CB-CD1 4.03Å
385	V	86.4	Confident	90.2	Very high	7 Å²	7	59.3 Å²	59.3	4%	0.042	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-44.3	170.4	174.5	0	0	0	0	110.7	T397 L399 L402 V416 A420 L424	V385-T397 PolarHBondContact N-O 3.09Å; V385-L399 HydrophobicContact CG2-CD2 3.33Å; V385-L399 HydrophobicContact CG2-CG 3.65Å; V385-L402 HydrophobicContact CG2-CD1 3.6Å; V385-V416 HydrophobicContact CG1-CG1 4.2Å; V385-A420 HydrophobicContact CG1-CB 4.02Å; V385-L424 HydrophobicContact CG1-CD1 4Å; V385-L424 HydrophobicContact CG1-CD2 3.85Å; V385-L424 HydrophobicContact CG1-CG 3.87Å; V385-L424 HydrophobicContact CG2-CD2 3.93Å
386	E	88.5	Confident	90.1	Very high	49 Å²	49	59.6 Å²	59.6	23%	0.229	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	138.5	178.9	-176.5	172.7	174.4	0	0	107.9	G396 T397 V416 Q417 A420	E386-G396 CarbonylContact O-C 3.53Å; E386-G396 WeakPolarHBondContact O-CA 3.14Å; E386-T397 PolarHBondContact O-N 3.26Å; E386-V416 WeakPolarHBondContact OE2-CA 3.3Å; E386-Q417 VanDerWaalsContact OE1-CD 3.22Å; E386-Q417 WeakPolarHBondContact OE1-CG 3.49Å; E386-Q417 PolarHBondContact OE1-NE2 2.63Å; E386-Q417 PolarHBondContact OE2-N 3.39Å; E386-A420 HydrophobicContact CB-CB 4.24Å
387	Y	90.6	Very high	89.9	Confident	76 Å²	76	57.1 Å²	57.1	30%	0.298	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	155	173.3	65.4	-89.1	0	0	0	110.5	I379 F384 Y395	I379-Y387 HydrophobicContact CD1-CD2 3.72Å; I379-Y387 HydrophobicContact CD1-CE2 3.81Å; I379-Y387 HydrophobicContact CD1-CG 4.16Å; I379-Y387 HydrophobicContact CG1-CD1 4.2Å; I379-Y387 HydrophobicContact CG1-CD2 4.18Å; I379-Y387 HydrophobicContact CG1-CE1 4.3Å; I379-Y387 HydrophobicContact CG1-CE2 4.28Å; I379-Y387 HydrophobicContact CG1-CG 4.15Å; I379-Y387 HydrophobicContact CG2-CE1 3.96Å; I379-Y387 HydrophobicContact CG2-CE2 4.25Å; F384-Y387 HydrophobicContact CB-CD1 4.03Å; Y387-Y395 CarbonylContact C-O 3.47Å; Y387-Y395 VanDerWaalsContact CA-O 3.22Å; Y387-Y395 WeakPolarHBondContact CA-O 3.25Å
388	G	88.9	Confident	89.8	Confident	20 Å²	20	55.8 Å²	55.8	21%	0.206	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	165.7	178.9	0	0	0	0	0	111.6	Y394 Y395	G388-Y394 CarbonylContact O-C 3.55Å; G388-Y394 WeakPolarHBondContact O-CA 3.43Å; G388-Y395 PolarHBondContact N-O 2.74Å; G388-Y395 PolarHBondContact O-N 2.8Å
389	E	89.8	Confident	89.6	Confident	79 Å²	79	56.2 Å²	56.2	37%	0.369	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	131.7	177.6	-167.9	179.1	163.2	0	0	110.1	G392 N393 Y394	E389-G392 WeakPolarHBondContact OE1-CA 3.46Å; E389-N393 CarbonylContact C-O 3.45Å; E389-N393 WeakPolarHBondContact CA-O 3.43Å; E389-Y394 HydrophobicContact CB-CD1 3.96Å; E389-Y394 HydrophobicContact CB-CE1 3.89Å; E389-Y394 HydrophobicContact CG-CD1 4.16Å; E389-Y394 HydrophobicContact CG-CE1 3.99Å
390	Y	86.3	Confident	89.5	Confident	67 Å²	67	58.6 Å²	58.6	26%	0.263	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	127.2	176.3	-178.4	-99.9	0	0	0	110.5	L286 G392 N393 Y395 S456	L286-Y390 HydrophobicContact CD2-CD2 3.83Å; L286-Y390 HydrophobicContact CD2-CE2 4.41Å; Y390-G392 PolarHBondContact O-N 3.36Å; Y390-N393 PolarHBondContact N-O 3.39Å; Y390-N393 PolarHBondContact O-N 3.45Å; Y390-Y395 HydrophobicContact CD1-CE2 4.34Å; Y390-S456 PolarHBondContact OH-O 2.95Å
391	K	87.4	Confident	89.5	Confident	123 Å²	123	52.2 Å²	52.2	54%	0.535	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.8	44.7	-176	-68.2	179.6	175.1	172	0	112.3	N393 D459	K391-N393 VanDerWaalsContact C-N 3.26Å; K391-N393 PolarHBondContact O-N 2.9Å; K391-N393 PolarHBondContact O-ND2 2.95Å; K391-D459 IonicContact NZ-OD2 2.88Å; K391-D459 PolarHBondContact NZ-OD2 3.48Å
392	G	86.7	Confident	89.3	Confident	42 Å²	42	47.2 Å²	47.2	43%	0.433	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	5.8	178.2	0	0	0	0	0	115.9	E389 Y390	E389-G392 WeakPolarHBondContact OE1-CA 3.46Å; Y390-G392 PolarHBondContact O-N 3.36Å
393	N	91.9	Very high	89.3	Confident	39 Å²	39	45.5 Å²	45.5	21%	0.209	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145	179.4	-65.1	-78.3	0	0	0	110.8	S354 R355 E389 Y390 K391 Y395	S354-N393 WeakPolarHBondContact OG-CA 3.36Å; R355-N393 WeakPolarHBondContact CA-OD1 3.41Å; R355-N393 HydrophobicContact CB-CB 4.08Å; E389-N393 CarbonylContact C-O 3.45Å; E389-N393 WeakPolarHBondContact CA-O 3.43Å; Y390-N393 PolarHBondContact N-O 3.39Å; Y390-N393 PolarHBondContact O-N 3.45Å; K391-N393 VanDerWaalsContact C-N 3.26Å; K391-N393 PolarHBondContact O-N 2.9Å; K391-N393 PolarHBondContact O-ND2 2.95Å; N393-Y395 HydrophobicContact CB-CE2 3.97Å; N393-Y395 WeakPolarHBondContact O-CD2 3.33Å
394	Y	92.7	Very high	89.2	Confident	41 Å²	41	43.2 Å²	43.2	16%	0.161	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	146	175.1	-65.5	-58.4	0	0	0	111.7	T353 S354 K372 F375 E376 G388 E389	T353-Y394 CarbonylContact C-O 3.5Å; T353-Y394 WeakPolarHBondContact CA-O 3.23Å; T353-Y394 PolarHBondContact OG1-O 3.11Å; S354-Y394 PolarHBondContact N-O 3.36Å; S354-Y394 PolarHBondContact OG-N 2.9Å; K372-Y394 HydrophobicContact CD-CE2 4.17Å; K372-Y394 HydrophobicContact CG-CD2 3.9Å; K372-Y394 HydrophobicContact CG-CE2 3.8Å; F375-Y394 HydrophobicContact CD1-CD2 4.2Å; F375-Y394 HydrophobicContact CD1-CG 4.03Å; F375-Y394 HydrophobicContact CE1-CG 4.26Å; F375-Y394 HydrophobicContact CG-CD2 4.37Å; F375-Y394 HydrophobicContact CG-CG 4.4Å; E376-Y394 HydrophobicContact CG-CE2 4.03Å; G388-Y394 CarbonylContact O-C 3.55Å; G388-Y394 WeakPolarHBondContact O-CA 3.43Å; E389-Y394 HydrophobicContact CB-CD1 3.96Å; E389-Y394 HydrophobicContact CB-CE1 3.89Å; E389-Y394 HydrophobicContact CG-CD1 4.16Å; E389-Y394 HydrophobicContact CG-CE1 3.99Å
395	Y	92.2	Very high	89.1	Confident	51 Å²	51	43.2 Å²	43.2	20%	0.2	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	137.9	172.4	-64	-94.8	0	0	0	108.2	H352 T353 R355 Y367 Y387 G388 Y390 N393	H352-Y395 CarbonylContact O-C 3.54Å; H352-Y395 WeakPolarHBondContact O-CA 3.32Å; T353-Y395 WeakPolarHBondContact OG1-CD1 3.38Å; T353-Y395 WeakPolarHBondContact OG1-CE1 3.48Å; R355-Y395 WeakPolarHBondContact CD-OH 3.4Å; R355-Y395 PolarHBondContact NE-OH 2.97Å; Y367-Y395 HydrophobicContact CD1-CD1 4.35Å; Y367-Y395 AromaticContact CE1-CD1 3.77Å; Y367-Y395 HydrophobicContact CE1-CD1 3.77Å; Y367-Y395 HydrophobicContact CE1-CE1 4.06Å; Y387-Y395 CarbonylContact C-O 3.47Å; Y387-Y395 VanDerWaalsContact CA-O 3.22Å; Y387-Y395 WeakPolarHBondContact CA-O 3.25Å; G388-Y395 PolarHBondContact N-O 2.74Å; G388-Y395 PolarHBondContact O-N 2.8Å; Y390-Y395 HydrophobicContact CD1-CE2 4.34Å; N393-Y395 HydrophobicContact CB-CE2 3.97Å; N393-Y395 WeakPolarHBondContact O-CD2 3.33Å
396	G	91.1	Very high	89	Confident	6 Å²	6	43.8 Å²	43.8	6%	0.062	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	162.1	177.6	0	0	0	0	0	114.2	P351 H352 E386	P351-G396 CarbonylContact C-O 3.58Å; P351-G396 WeakPolarHBondContact CA-O 3.47Å; P351-G396 WeakPolarHBondContact CB-O 3.45Å; H352-G396 PolarHBondContact N-O 3.47Å; H352-G396 PolarHBondContact O-N 3.05Å; E386-G396 CarbonylContact O-C 3.53Å; E386-G396 WeakPolarHBondContact O-CA 3.14Å
397	T	90.8	Very high	88.9	Confident	21 Å²	21	47 Å²	47	13%	0.129	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	118.4	177.1	-55.6	0	0	0	0	109.6	T349 V385 E386 L414	T349-T397 HydrophobicContact CG2-CG2 4.26Å; V385-T397 PolarHBondContact N-O 3.09Å; E386-T397 PolarHBondContact O-N 3.26Å; T397-L414 HydrophobicContact CG2-CD1 3.92Å
398	S	91.1	Very high	88.7	Confident	6 Å²	6	50.9 Å²	50.9	4%	0.042	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	151.8	179.9	62	0	0	0	0	112.2	H352 K383 D400 T401	H352-S398 PolarHBondContact CE1-OG 2.77Å; K383-S398 CarbonylContact O-C 3.57Å; K383-S398 WeakPolarHBondContact O-CA 3.26Å; S398-D400 VanDerWaalsContact C-N 3.26Å; S398-D400 PolarHBondContact O-N 3.41Å; S398-T401 PolarHBondContact O-OG1 3.41Å; S398-T401 WeakPolarHBondContact OG-CB 3.07Å; S398-T401 VanDerWaalsContact OG-CG2 3.24Å; S398-T401 WeakPolarHBondContact OG-CG2 3.5Å; S398-T401 PolarHBondContact OG-N 3.25Å; S398-T401 PolarHBondContact OG-OG1 3.49Å
399	L	88.9	Confident	88.4	Confident	33 Å²	33	57.4 Å²	57.4	17%	0.173	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-32.9	169.5	-74	166.5	0	0	0	112.1	K383 V385 L402 R403 F429	K383-L399 PolarHBondContact O-N 3.05Å; V385-L399 HydrophobicContact CG2-CD2 3.33Å; V385-L399 HydrophobicContact CG2-CG 3.65Å; L399-L402 HydrophobicContact CD2-CD1 4.49Å; L399-L402 WeakPolarHBondContact O-CB 3.41Å; L399-L402 PolarHBondContact O-N 3.34Å; L399-R403 WeakPolarHBondContact O-CG 3.44Å; L399-R403 PolarHBondContact O-N 2.75Å; L399-F429 HydrophobicContact CD2-CE2 3.75Å; L399-F429 HydrophobicContact CD2-CZ 3.75Å
400	D	88.9	Confident	88.2	Confident	81 Å²	81	56.6 Å²	56.6	43%	0.433	29%	0.286	S	S	.	.	H	α-helix	trans	-70.2	-35.9	-177	-62.3	-32.2	0	0	0	112.3	S398 L402 R403 G404	S398-D400 VanDerWaalsContact C-N 3.26Å; S398-D400 PolarHBondContact O-N 3.41Å; D400-L402 VanDerWaalsContact C-N 3.32Å; D400-L402 PolarHBondContact O-N 3.18Å; D400-R403 PolarHBondContact O-N 3.03Å; D400-R403 IonicContact OD1-NH1 3.73Å; D400-R403 PolarHBondContact OD1-NH1 3.29Å; D400-G404 PolarHBondContact O-N 3.14Å
401	T	88.8	Confident	88.1	Confident	23 Å²	23	53.8 Å²	53.8	14%	0.141	28%	0.276	C	S	.	.	H	α-helix	trans	-67	-33.1	172.6	54.2	0	0	0	0	112.3	S398 G404 V405	S398-T401 PolarHBondContact O-OG1 3.41Å; S398-T401 WeakPolarHBondContact OG-CB 3.07Å; S398-T401 VanDerWaalsContact OG-CG2 3.24Å; S398-T401 WeakPolarHBondContact OG-CG2 3.5Å; S398-T401 PolarHBondContact OG-N 3.25Å; S398-T401 PolarHBondContact OG-OG1 3.49Å; T401-G404 PolarHBondContact O-N 2.7Å; T401-V405 PolarHBondContact O-N 2.99Å
402	L	87.8	Confident	88	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.3	-49	171.1	-74.4	167	0	0	0	111.4	T349 V385 L399 D400 G404 V405 L406 C412 L414 L424 F429	T349-L402 HydrophobicContact CG2-CB 4.44Å; T349-L402 HydrophobicContact CG2-CD2 3.31Å; T349-L402 HydrophobicContact CG2-CG 3.73Å; V385-L402 HydrophobicContact CG2-CD1 3.6Å; L399-L402 HydrophobicContact CD2-CD1 4.49Å; L399-L402 WeakPolarHBondContact O-CB 3.41Å; L399-L402 PolarHBondContact O-N 3.34Å; D400-L402 VanDerWaalsContact C-N 3.32Å; D400-L402 PolarHBondContact O-N 3.18Å; L402-G404 PolarHBondContact O-N 2.83Å; L402-V405 PolarHBondContact O-N 2.62Å; L402-V405 VanDerWaalsContact O-N 3.1Å; L402-L406 WeakPolarHBondContact O-CG 3.29Å; L402-L406 PolarHBondContact O-N 3.35Å; L402-C412 VanDerWaalsContact CD2-SG 3.51Å; L402-L414 HydrophobicContact CD1-CD2 4.22Å; L402-L414 HydrophobicContact CD2-CD1 4.45Å; L402-L414 HydrophobicContact CD2-CD2 3.97Å; L402-L424 HydrophobicContact CD1-CD2 3.68Å; L402-F429 HydrophobicContact CB-CD1 4.46Å; L402-F429 HydrophobicContact CB-CE1 3.95Å
403	R	88.3	Confident	88.1	Confident	97 Å²	97	46 Å²	46	37%	0.366	23%	0.23	S	C	.	.	H	α-helix	trans	-57.3	-38.2	175.5	-71	172.3	178	147.4	-1.4	112.2	L399 D400 V405 L406 T407 E428 F429	L399-R403 WeakPolarHBondContact O-CG 3.44Å; L399-R403 PolarHBondContact O-N 2.75Å; D400-R403 PolarHBondContact O-N 3.03Å; D400-R403 IonicContact OD1-NH1 3.73Å; D400-R403 PolarHBondContact OD1-NH1 3.29Å; R403-V405 VanDerWaalsContact C-N 3.34Å; R403-V405 PolarHBondContact O-N 3.38Å; R403-L406 PolarHBondContact O-N 3.32Å; R403-T407 WeakPolarHBondContact O-CB 3.24Å; R403-T407 PolarHBondContact O-N 3.47Å; R403-T407 PolarHBondContact O-OG1 3.45Å; R403-E428 WeakPolarHBondContact CD-OE1 3.42Å; R403-E428 VanDerWaalsContact CG-OE1 3.23Å; R403-E428 WeakPolarHBondContact CG-OE1 3.38Å; R403-E428 IonicContact CZ-OE1 2.95Å; R403-E428 IonicContact NE-OE1 3.66Å; R403-E428 PolarHBondContact NE-OE1 2.77Å; R403-E428 IonicContact NE-OE2 3.65Å; R403-E428 IonicContact NH2-OE1 2.92Å; R403-E428 IonicContact NH2-OE2 3.62Å; R403-E428 PolarHBondContact NH2-OE2 2.85Å; R403-F429 HydrophobicContact CG-CE1 4.19Å; R403-F429 HydrophobicContact CG-CZ 4.32Å
404	G	87.7	Confident	87.8	Confident	32 Å²	32	44.2 Å²	44.2	33%	0.33	22%	0.221	S	C	.	.	H	α-helix	trans	-60.9	-38.6	175.8	0	0	0	0	0	113.5	D400 T401 L402 K408	D400-G404 PolarHBondContact O-N 3.14Å; T401-G404 PolarHBondContact O-N 2.7Å; L402-G404 PolarHBondContact O-N 2.83Å; G404-K408 WeakPolarHBondContact O-CG 3.45Å; G404-K408 PolarHBondContact O-N 2.99Å
405	V	86.6	Confident	87.4	Confident	15 Å²	15	45.2 Å²	45.2	9%	0.091	23%	0.229	C	C	.	.	H	α-helix	trans	-72.1	-41.6	175.6	179.5	0	0	0	0	111	T349 T401 L402 R403 T407 K408 K410 C412	T349-V405 HydrophobicContact CG2-CG2 4.45Å; T401-V405 PolarHBondContact O-N 2.99Å; L402-V405 PolarHBondContact O-N 2.62Å; L402-V405 VanDerWaalsContact O-N 3.1Å; R403-V405 VanDerWaalsContact C-N 3.34Å; R403-V405 PolarHBondContact O-N 3.38Å; V405-T407 PolarHBondContact O-N 3.09Å; V405-K408 WeakPolarHBondContact O-CB 3.44Å; V405-K408 PolarHBondContact O-N 3.5Å; V405-K408 VanDerWaalsContact O-N 3.17Å; V405-K410 HydrophobicContact CG1-CB 4.08Å; V405-K410 PolarHBondContact O-N 3Å; V405-C412 HydrophobicContact CB-CB 4.25Å; V405-C412 HydrophobicContact CG1-CB 3.75Å
406	L	84.6	Confident	86.9	Confident	18 Å²	18	43 Å²	43	9%	0.094	22%	0.22	C	C	.	.	H	α-helix	trans	-65.7	-36.7	178.4	-68.8	175.6	0	0	0	112.8	L402 R403 K408 K409 F429	L402-L406 WeakPolarHBondContact O-CG 3.29Å; L402-L406 PolarHBondContact O-N 3.35Å; R403-L406 PolarHBondContact O-N 3.32Å; L406-K408 PolarHBondContact O-N 3.19Å; L406-K409 WeakPolarHBondContact O-CA 3.35Å; L406-K409 PolarHBondContact O-N 3.16Å; L406-F429 HydrophobicContact CD1-CD1 3.52Å; L406-F429 HydrophobicContact CD1-CE1 3.9Å
407	T	86.6	Confident	86.4	Confident	116 Å²	116	46 Å²	46	71%	0.712	23%	0.233	S	C	*	.	H	α-helix	trans	-63.2	-30.5	175.4	-56.3	0	0	0	0	111.6	R403 V405 K409	R403-T407 WeakPolarHBondContact O-CB 3.24Å; R403-T407 PolarHBondContact O-N 3.47Å; R403-T407 PolarHBondContact O-OG1 3.45Å; V405-T407 PolarHBondContact O-N 3.09Å; T407-K409 PolarHBondContact O-N 2.99Å
408	K	85.7	Confident	85.8	Confident	158 Å²	158	45.2 Å²	45.2	69%	0.687	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	4.9	173	-65.2	172.4	-176.8	178.4	0	113.3	G404 V405 L406 K410	G404-K408 WeakPolarHBondContact O-CG 3.45Å; G404-K408 PolarHBondContact O-N 2.99Å; V405-K408 WeakPolarHBondContact O-CB 3.44Å; V405-K408 PolarHBondContact O-N 3.5Å; V405-K408 VanDerWaalsContact O-N 3.17Å; L406-K408 PolarHBondContact O-N 3.19Å; K408-K410 HydrophobicContact CB-CG 4.36Å; K408-K410 PolarHBondContact O-N 2.82Å
409	K	83.1	Confident	85.1	Confident	158 Å²	158	49.7 Å²	49.7	69%	0.687	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	27.8	-179.9	-60.1	-174.1	177.6	177.6	0	114.3	A316 L406 T407	A316-K409 HydrophobicContact CB-CB 3.56Å; A316-K409 HydrophobicContact CB-CD 4.19Å; A316-K409 HydrophobicContact CB-CG 3.76Å; L406-K409 WeakPolarHBondContact O-CA 3.35Å; L406-K409 PolarHBondContact O-N 3.16Å; T407-K409 PolarHBondContact O-N 2.99Å
410	K	84.4	Confident	84.8	Confident	62 Å²	62	48.4 Å²	48.4	27%	0.27	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-99.7	150.7	178	-63.2	-162.7	178.4	-164.9	0	111.3	P343 Q344 H345 V405 K408 C412	P343-K410 PolarHBondContact O-NZ 3.44Å; Q344-K410 WeakPolarHBondContact O-CD 3.41Å; Q344-K410 WeakPolarHBondContact O-CE 3.36Å; H345-K410 CarbonylContact O-C 3.48Å; H345-K410 WeakPolarHBondContact O-CA 3.24Å; H345-K410 WeakPolarHBondContact O-CB 3.27Å; V405-K410 HydrophobicContact CG1-CB 4.08Å; V405-K410 PolarHBondContact O-N 3Å; K408-K410 HydrophobicContact CB-CG 4.36Å; K408-K410 PolarHBondContact O-N 2.82Å; K410-C412 PolarHBondContact O-N 3.44Å
411	V	84.4	Confident	84.4	Confident	8 Å²	8	44.6 Å²	44.6	5%	0.048	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	117.3	169.6	176.6	0	0	0	0	108.7	L320 H345 F346 G347	L320-V411 HydrophobicContact CB-CG1 4.07Å; H345-V411 WeakPolarHBondContact NE2-CG2 3.24Å; H345-V411 PolarHBondContact O-N 3.27Å; F346-V411 HydrophobicContact CD1-CB 3.9Å; F346-V411 HydrophobicContact CD1-CG1 4.05Å; F346-V411 HydrophobicContact CE1-CB 4.17Å; F346-V411 HydrophobicContact CE1-CG1 4.11Å; G347-V411 PolarHBondContact N-O 3.35Å
412	C	86.7	Confident	83.9	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	119.9	-178	-173.9	0	0	0	0	111.4	L320 G347 T349 L402 V405 K410	L320-C412 CarbonylContact C-O 3.54Å; L320-C412 WeakPolarHBondContact CA-O 3.36Å; L320-C412 PolarHBondContact N-O 2.85Å; L320-C412 VanDerWaalsContact O-O 3.05Å; G347-C412 CarbonylContact O-C 3.59Å; G347-C412 WeakPolarHBondContact O-CA 3.4Å; T349-C412 VanDerWaalsContact CG2-SG 3.59Å; L402-C412 VanDerWaalsContact CD2-SG 3.51Å; V405-C412 HydrophobicContact CB-CB 4.25Å; V405-C412 HydrophobicContact CG1-CB 3.75Å; K410-C412 PolarHBondContact O-N 3.44Å
413	L	87.6	Confident	83.5	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	104.4	175.9	-57	178.3	0	0	0	110.4	L320 K335 L338 F346 G347 V348	L320-L413 HydrophobicContact CB-CD2 4.04Å; L320-L413 HydrophobicContact CD2-CD2 3.37Å; L320-L413 HydrophobicContact CG-CD2 4.24Å; K335-L413 VanDerWaalsContact CE-O 3.24Å; K335-L413 WeakPolarHBondContact CE-O 3.48Å; K335-L413 HydrophobicContact CG-CB 4.29Å; K335-L413 HydrophobicContact CG-CD1 4.18Å; K335-L413 PolarHBondContact NZ-O 2.8Å; K335-L413 VanDerWaalsContact NZ-O 3.11Å; L338-L413 HydrophobicContact CB-CD1 4.01Å; L338-L413 HydrophobicContact CD1-CD2 4.13Å; F346-L413 HydrophobicContact CB-CD1 3.95Å; F346-L413 HydrophobicContact CB-CG 4.27Å; F346-L413 HydrophobicContact CD1-CD1 4.28Å; F346-L413 HydrophobicContact CD1-CD2 3.78Å; F346-L413 HydrophobicContact CD1-CG 4.12Å; F346-L413 HydrophobicContact CE1-CD2 4.27Å; F346-L413 HydrophobicContact CG-CD1 4.21Å; F346-L413 HydrophobicContact CG-CG 4.48Å; G347-L413 PolarHBondContact O-N 3.34Å; V348-L413 HydrophobicContact CG2-CB 4.38Å
414	L	86.1	Confident	83.2	Confident	3 Å²	3	48 Å²	48	2%	0.016	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.7	-177.4	-173.1	66	0	0	0	111.2	L320 Q322 T349 T397 L402 V416 L424	L320-L414 PolarHBondContact O-N 2.79Å; Q322-L414 PolarHBondContact N-O 3.35Å; T349-L414 WeakPolarHBondContact OG1-CD1 3.19Å; T397-L414 HydrophobicContact CG2-CD1 3.92Å; L402-L414 HydrophobicContact CD1-CD2 4.22Å; L402-L414 HydrophobicContact CD2-CD1 4.45Å; L402-L414 HydrophobicContact CD2-CD2 3.97Å; L414-V416 HydrophobicContact CD1-CG1 4.1Å; L414-V416 HydrophobicContact CD2-CB 4.39Å; L414-V416 HydrophobicContact CD2-CG1 3.46Å; L414-V416 VanDerWaalsContact CD2-CG1 3.46Å; L414-V416 HydrophobicContact CD2-CG2 4.07Å; L414-V416 HydrophobicContact CG-CB 4.4Å; L414-V416 HydrophobicContact CG-CG1 3.58Å; L414-V416 HydrophobicContact CG-CG2 4.17Å; L414-L424 HydrophobicContact CD2-CD1 3.55Å; L414-L424 HydrophobicContact CD2-CD2 4.47Å
415	D	84.1	Confident	82.7	Confident	62 Å²	62	50 Å²	50	33%	0.332	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	114.9	169.4	-174.7	10.4	0	0	0	106.9
416	V	81.5	Confident	82.2	Confident	3 Å²	3	51.8 Å²	51.8	2%	0.018	25%	0.251	C	S	.	.			trans	-141.9	149.3	-172.9	-88.6	0	0	0	0	110.7	C321 Q322 P324 V385 E386 L414 A420 I421 L424	C321-V416 HydrophobicContact CB-CG2 4.2Å; Q322-V416 PolarHBondContact O-N 3.16Å; P324-V416 WeakPolarHBondContact CD-O 3.24Å; V385-V416 HydrophobicContact CG1-CG1 4.2Å; E386-V416 WeakPolarHBondContact OE2-CA 3.3Å; L414-V416 HydrophobicContact CD1-CG1 4.1Å; L414-V416 HydrophobicContact CD2-CB 4.39Å; L414-V416 HydrophobicContact CD2-CG1 3.46Å; L414-V416 VanDerWaalsContact CD2-CG1 3.46Å; L414-V416 HydrophobicContact CD2-CG2 4.07Å; L414-V416 HydrophobicContact CG-CB 4.4Å; L414-V416 HydrophobicContact CG-CG1 3.58Å; L414-V416 HydrophobicContact CG-CG2 4.17Å; V416-A420 HydrophobicContact CB-CB 4.18Å; V416-A420 HydrophobicContact CG1-CB 4.3Å; V416-I421 HydrophobicContact CG2-CG1 4.28Å; V416-L424 HydrophobicContact CG1-CD1 4.4Å; V416-L424 HydrophobicContact CG2-CD1 4.02Å
417	Q	80.7	Confident	81.6	Confident	71 Å²	71	51.7 Å²	51.7	33%	0.332	25%	0.253	S	S	.	.			trans	-64.8	155.4	172.4	-73.6	-176.5	14.5	0	0	113.2	E386 H419 A420 I421	E386-Q417 VanDerWaalsContact OE1-CD 3.22Å; E386-Q417 WeakPolarHBondContact OE1-CG 3.49Å; E386-Q417 PolarHBondContact OE1-NE2 2.63Å; E386-Q417 PolarHBondContact OE2-N 3.39Å; Q417-H419 PolarHBondContact O-N 3.47Å; Q417-H419 VanDerWaalsContact O-N 3.1Å; Q417-A420 WeakPolarHBondContact O-CB 3.36Å; Q417-A420 PolarHBondContact O-N 2.82Å; Q417-I421 PolarHBondContact O-N 2.8Å
418	P	77.5	Confident	81.2	Confident	4 Å²	4	49.9 Å²	49.9	3%	0.026	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-25.2	-173.2	-17.7	34.8	0	0	0	112.5	P324 I421 Y485	P324-P418 HydrophobicContact CG-CG 3.78Å; P418-I421 HydrophobicContact CB-CD1 4.46Å; P418-I421 WeakPolarHBondContact O-CB 3.41Å; P418-Y485 HydrophobicContact CB-CD1 3.52Å; P418-Y485 HydrophobicContact CB-CD2 3.63Å; P418-Y485 HydrophobicContact CB-CE1 3.93Å; P418-Y485 HydrophobicContact CB-CE2 4.05Å; P418-Y485 HydrophobicContact CB-CG 3.37Å; P418-Y485 HydrophobicContact CG-CD2 3.74Å; P418-Y485 HydrophobicContact CG-CE2 4.08Å; P418-Y485 HydrophobicContact CG-CG 4Å
419	H	77.7	Confident	80.8	Confident	99 Å²	99	42.6 Å²	42.6	46%	0.458	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-36.9	174.9	-52.5	92	0	0	0	112.3	Q417 K422 Y485	Q417-H419 PolarHBondContact O-N 3.47Å; Q417-H419 VanDerWaalsContact O-N 3.1Å; H419-K422 WeakPolarHBondContact O-CB 3.43Å; H419-K422 VanDerWaalsContact O-CG 3.31Å; H419-K422 WeakPolarHBondContact O-CG 3.33Å; H419-K422 PolarHBondContact O-N 2.86Å; H419-Y485 AromaticContact CE1-CZ 3.98Å; H419-Y485 PolarHBondContact CE1-OH 3.19Å; H419-Y485 AromaticContact NE2-CZ 3.81Å; H419-Y485 PolarHBondContact NE2-OH 2.83Å
420	A	81.9	Confident	80.7	Confident	6 Å²	6	37.7 Å²	37.7	5%	0.05	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-24.2	-178.9	0	0	0	0	0	112.6	V385 E386 V416 Q417 K422 L423 L424	V385-A420 HydrophobicContact CG1-CB 4.02Å; E386-A420 HydrophobicContact CB-CB 4.24Å; V416-A420 HydrophobicContact CB-CB 4.18Å; V416-A420 HydrophobicContact CG1-CB 4.3Å; Q417-A420 WeakPolarHBondContact O-CB 3.36Å; Q417-A420 PolarHBondContact O-N 2.82Å; A420-K422 PolarHBondContact O-N 2.76Å; A420-K422 VanDerWaalsContact O-N 3.1Å; A420-L423 WeakPolarHBondContact O-CB 3.19Å; A420-L423 PolarHBondContact O-N 3.35Å; A420-L424 PolarHBondContact O-N 2.8Å
421	I	81.4	Confident	80.6	Confident	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.17	C	C	.	.	H	α-helix	trans	-55.1	-31.7	174.1	-59.8	176.9	0	0	0	111.3	V416 Q417 P418 L423 L424 R425 V433	V416-I421 HydrophobicContact CG2-CG1 4.28Å; Q417-I421 PolarHBondContact O-N 2.8Å; P418-I421 HydrophobicContact CB-CD1 4.46Å; P418-I421 WeakPolarHBondContact O-CB 3.41Å; I421-L423 VanDerWaalsContact C-N 3.35Å; I421-L423 PolarHBondContact O-N 3.35Å; I421-L424 PolarHBondContact O-N 2.93Å; I421-R425 WeakPolarHBondContact O-CB 3.3Å; I421-R425 PolarHBondContact O-N 3.28Å; I421-R425 VanDerWaalsContact O-N 3.13Å; I421-V433 HydrophobicContact CD1-CG1 3.72Å; I421-V433 HydrophobicContact CD1-CG2 4.49Å; I421-V433 HydrophobicContact CG2-CG2 3.67Å
422	K	77.4	Confident	80.7	Confident	85 Å²	85	35.1 Å²	35.1	37%	0.37	17%	0.171	S	C	.	.	H	α-helix	trans	-61.6	-42.9	178.1	-51.2	-171.6	175.8	179.3	0	112	F301 H419 A420 L424 R425	F301-K422 HydrophobicContact CE2-CD 3.45Å; F301-K422 VanDerWaalsContact CE2-CD 3.45Å; F301-K422 HydrophobicContact CE2-CG 3.93Å; F301-K422 HydrophobicContact CZ-CB 4.02Å; F301-K422 HydrophobicContact CZ-CD 3.5Å; F301-K422 VanDerWaalsContact CZ-CD 3.5Å; F301-K422 HydrophobicContact CZ-CG 3.44Å; F301-K422 VanDerWaalsContact CZ-CG 3.44Å; H419-K422 WeakPolarHBondContact O-CB 3.43Å; H419-K422 VanDerWaalsContact O-CG 3.31Å; H419-K422 WeakPolarHBondContact O-CG 3.33Å; H419-K422 PolarHBondContact O-N 2.86Å; A420-K422 PolarHBondContact O-N 2.76Å; A420-K422 VanDerWaalsContact O-N 3.1Å; K422-L424 VanDerWaalsContact C-N 3.32Å; K422-R425 PolarHBondContact O-N 2.79Å
423	L	79.9	Confident	80.6	Confident	107 Å²	107	35.3 Å²	35.3	56%	0.56	17%	0.172	S	C	*	.	H	α-helix	trans	-69.7	-32.3	178.7	-65.6	169	0	0	0	111.5	A420 I421 R425 T426	A420-L423 WeakPolarHBondContact O-CB 3.19Å; A420-L423 PolarHBondContact O-N 3.35Å; I421-L423 VanDerWaalsContact C-N 3.35Å; I421-L423 PolarHBondContact O-N 3.35Å; L423-R425 VanDerWaalsContact C-N 3.3Å; L423-R425 PolarHBondContact O-N 2.84Å; L423-T426 WeakPolarHBondContact O-CG2 3.49Å
424	L	81	Confident	80.6	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-77.7	-14.5	178	-64.4	172.5	0	0	0	113.1	C321 V385 L402 L414 V416 A420 I421 K422 T426 F429 P431	C321-L424 VanDerWaalsContact SG-CD1 3.52Å; V385-L424 HydrophobicContact CG1-CD1 4Å; V385-L424 HydrophobicContact CG1-CD2 3.85Å; V385-L424 HydrophobicContact CG1-CG 3.87Å; V385-L424 HydrophobicContact CG2-CD2 3.93Å; L402-L424 HydrophobicContact CD1-CD2 3.68Å; L414-L424 HydrophobicContact CD2-CD1 3.55Å; L414-L424 HydrophobicContact CD2-CD2 4.47Å; V416-L424 HydrophobicContact CG1-CD1 4.4Å; V416-L424 HydrophobicContact CG2-CD1 4.02Å; A420-L424 PolarHBondContact O-N 2.8Å; I421-L424 PolarHBondContact O-N 2.93Å; K422-L424 VanDerWaalsContact C-N 3.32Å; L424-T426 PolarHBondContact O-N 3.3Å; L424-F429 HydrophobicContact CD2-CD2 4.4Å; L424-P431 HydrophobicContact CB-CB 4.48Å; L424-P431 HydrophobicContact CB-CG 4.2Å; L424-P431 WeakPolarHBondContact O-CD 3.26Å; L424-P431 WeakPolarHBondContact O-CG 3.46Å
425	R	77.5	Confident	80.7	Confident	75 Å²	75	35.1 Å²	35.1	28%	0.283	17%	0.172	S	C	.	.			trans	-77.4	46.4	-172	-135.9	-175	85.1	82.4	7.6	113.5	I421 K422 L423 P431 P520 W523	I421-R425 WeakPolarHBondContact O-CB 3.3Å; I421-R425 PolarHBondContact O-N 3.28Å; I421-R425 VanDerWaalsContact O-N 3.13Å; K422-R425 PolarHBondContact O-N 2.79Å; L423-R425 VanDerWaalsContact C-N 3.3Å; L423-R425 PolarHBondContact O-N 2.84Å; R425-P431 HydrophobicContact CG-CG 4.38Å; R425-P520 VanDerWaalsContact NH1-CG 3.28Å; R425-W523 HydrophobicContact CB-CZ2 4.47Å; R425-W523 HydrophobicContact CG-CZ2 3.65Å; R425-W523 PolarHBondContact O-NE1 3.42Å
426	T	76.6	Confident	80.9	Confident	52 Å²	52	32.2 Å²	32.2	32%	0.319	16%	0.156	S	C	.	.	S	Bend	trans	-107.2	168	-176.5	66.6	0	0	0	0	112.4	L423 L424 E428 F429 K430 W523	L423-T426 WeakPolarHBondContact O-CG2 3.49Å; L424-T426 PolarHBondContact O-N 3.3Å; T426-E428 PolarHBondContact O-N 3.29Å; T426-E428 PolarHBondContact OG1-N 3.26Å; T426-F429 VanDerWaalsContact OG1-CD2 3.24Å; T426-F429 WeakPolarHBondContact OG1-CD2 3.39Å; T426-K430 PolarHBondContact O-N 3.48Å; T426-K430 VanDerWaalsContact O-N 3.13Å; T426-W523 PolarHBondContact O-NE1 2.93Å
427	A	71.1	Confident	81.2	Confident	16 Å²	16	34.5 Å²	34.5	13%	0.132	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-24.5	173.8	0	0	0	0	0	113.2	K430	A427-K430 WeakPolarHBondContact O-CE 3.48Å; A427-K430 WeakPolarHBondContact O-CG 3.06Å
428	E	78.5	Confident	81.4	Confident	78 Å²	78	31.5 Å²	31.5	36%	0.364	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-50.8	-179.1	-173.9	-178.1	176.3	0	0	111.9	R403 T426	R403-E428 WeakPolarHBondContact CD-OE1 3.42Å; R403-E428 VanDerWaalsContact CG-OE1 3.23Å; R403-E428 WeakPolarHBondContact CG-OE1 3.38Å; R403-E428 IonicContact CZ-OE1 2.95Å; R403-E428 IonicContact NE-OE1 3.66Å; R403-E428 PolarHBondContact NE-OE1 2.77Å; R403-E428 IonicContact NE-OE2 3.65Å; R403-E428 IonicContact NH2-OE1 2.92Å; R403-E428 IonicContact NH2-OE2 3.62Å; R403-E428 PolarHBondContact NH2-OE2 2.85Å; T426-E428 PolarHBondContact O-N 3.29Å; T426-E428 PolarHBondContact OG1-N 3.26Å
429	F	78	Confident	81.9	Confident	5 Å²	5	31.7 Å²	31.7	2%	0.022	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-24.2	-170.5	-58	-69.1	0	0	0	114.3	C319 L399 L402 R403 L406 L424 T426 P431	C319-F429 HydrophobicContact CB-CB 4.48Å; C319-F429 WeakPolarHBondContact CB-O 3.49Å; C319-F429 PolarHBondContact N-O 3.47Å; C319-F429 VanDerWaalsContact N-O 3.1Å; L399-F429 HydrophobicContact CD2-CE2 3.75Å; L399-F429 HydrophobicContact CD2-CZ 3.75Å; L402-F429 HydrophobicContact CB-CD1 4.46Å; L402-F429 HydrophobicContact CB-CE1 3.95Å; R403-F429 HydrophobicContact CG-CE1 4.19Å; R403-F429 HydrophobicContact CG-CZ 4.32Å; L406-F429 HydrophobicContact CD1-CD1 3.52Å; L406-F429 HydrophobicContact CD1-CE1 3.9Å; L424-F429 HydrophobicContact CD2-CD2 4.4Å; T426-F429 VanDerWaalsContact OG1-CD2 3.24Å; T426-F429 WeakPolarHBondContact OG1-CD2 3.39Å; F429-P431 VanDerWaalsContact C-N 3.34Å; F429-P431 VanDerWaalsContact O-N 3.14Å
430	K	80.2	Confident	82.3	Confident	54 Å²	54	35.4 Å²	35.4	24%	0.235	17%	0.168	C	C	.	.			trans	37.5	56.3	179.2	-65.9	171.7	175.9	150.7	0	113.2	R313 T426 A427 F432 W523	R313-K430 PolarHBondContact NH1-O 2.85Å; T426-K430 PolarHBondContact O-N 3.48Å; T426-K430 VanDerWaalsContact O-N 3.13Å; A427-K430 WeakPolarHBondContact O-CE 3.48Å; A427-K430 WeakPolarHBondContact O-CG 3.06Å; K430-F432 PolarHBondContact O-N 3.39Å; K430-W523 HydrophobicContact CB-CE3 3.97Å; K430-W523 HydrophobicContact CB-CH2 4.41Å; K430-W523 HydrophobicContact CB-CZ3 3.89Å; K430-W523 WeakPolarHBondContact CE-O 3.45Å; K430-W523 HydrophobicContact CG-CD2 4.1Å; K430-W523 HydrophobicContact CG-CE3 3.74Å; K430-W523 HydrophobicContact CG-CG 4.48Å; K430-W523 HydrophobicContact CG-CZ3 4.2Å
431	P	84	Confident	82.3	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	17%	0.174	C	C	.	.			trans	-63.1	135.6	-167.9	26.4	-36.9	0	0	0	111.2	C319 C321 L424 R425 F429 V433 W523	C319-P431 CarbonylContact O-C 3.58Å; C319-P431 VanDerWaalsContact O-CA 3.26Å; C319-P431 WeakPolarHBondContact O-CA 3.36Å; C321-P431 HydrophobicContact CB-CB 4.31Å; C321-P431 WeakPolarHBondContact SG-CB 3.34Å; L424-P431 HydrophobicContact CB-CB 4.48Å; L424-P431 HydrophobicContact CB-CG 4.2Å; L424-P431 WeakPolarHBondContact O-CD 3.26Å; L424-P431 WeakPolarHBondContact O-CG 3.46Å; R425-P431 HydrophobicContact CG-CG 4.38Å; F429-P431 VanDerWaalsContact C-N 3.34Å; F429-P431 VanDerWaalsContact O-N 3.14Å; P431-V433 HydrophobicContact CB-CG2 4.45Å; P431-W523 HydrophobicContact CG-CH2 4.35Å; P431-W523 HydrophobicContact CG-CZ2 4.32Å
432	F	84.8	Confident	82.2	Confident	15 Å²	15	44 Å²	44	7%	0.066	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	115.6	164.3	-177.3	-118.6	0	0	0	108.1	C319 L320 C321 K430 V434 E490 K491 A508 L509 V512	C319-F432 PolarHBondContact O-N 3Å; L320-F432 HydrophobicContact CD1-CB 4.27Å; L320-F432 HydrophobicContact CD1-CD1 3.53Å; L320-F432 HydrophobicContact CD1-CE1 4.38Å; L320-F432 HydrophobicContact CD1-CG 4.35Å; L320-F432 WeakPolarHBondContact CD1-O 3.24Å; C321-F432 PolarHBondContact N-O 3.41Å; K430-F432 PolarHBondContact O-N 3.39Å; F432-V434 HydrophobicContact CD1-CG2 3.76Å; F432-V434 HydrophobicContact CE1-CG2 3.45Å; F432-V434 VanDerWaalsContact CE1-CG2 3.45Å; F432-V434 HydrophobicContact CZ-CG2 4.25Å; F432-E490 HydrophobicContact CD2-CB 3.94Å; F432-E490 HydrophobicContact CD2-CG 4.28Å; F432-E490 WeakPolarHBondContact CD2-OE2 3.48Å; F432-E490 HydrophobicContact CE2-CB 3.61Å; F432-E490 HydrophobicContact CE2-CG 4.39Å; F432-E490 HydrophobicContact CZ-CB 4.46Å; F432-K491 HydrophobicContact CZ-CB 4.03Å; F432-A508 HydrophobicContact CE1-CB 4.36Å; F432-A508 HydrophobicContact CZ-CB 4.44Å; F432-L509 HydrophobicContact CD1-CD2 4.27Å; F432-V512 HydrophobicContact CD1-CG2 4.01Å; F432-V512 HydrophobicContact CD2-CG2 3.62Å; F432-V512 HydrophobicContact CE1-CG2 3.87Å; F432-V512 HydrophobicContact CE2-CG2 3.46Å; F432-V512 VanDerWaalsContact CE2-CG2 3.46Å; F432-V512 HydrophobicContact CG-CG2 3.91Å; F432-V512 HydrophobicContact CZ-CG2 3.6Å
433	V	86	Confident	82.3	Confident	4 Å²	4	46 Å²	46	2%	0.024	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	116.2	-172.2	-174.3	0	0	0	0	111.1	C321 I421 P431 L488 F489 E490 K491	C321-V433 HydrophobicContact CB-CG2 4.27Å; C321-V433 VanDerWaalsContact O-CA 3.26Å; C321-V433 WeakPolarHBondContact O-CA 3.44Å; I421-V433 HydrophobicContact CD1-CG1 3.72Å; I421-V433 HydrophobicContact CD1-CG2 4.49Å; I421-V433 HydrophobicContact CG2-CG2 3.67Å; P431-V433 HydrophobicContact CB-CG2 4.45Å; V433-L488 WeakPolarHBondContact CB-O 3.38Å; V433-F489 HydrophobicContact CG1-CD1 3.72Å; V433-F489 HydrophobicContact CG1-CE1 4.41Å; V433-E490 PolarHBondContact O-N 3.29Å; V433-K491 PolarHBondContact O-N 2.95Å
434	V	87.3	Confident	82.3	Confident	0 Å²	0	41 Å²	41	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	127.2	175.7	-175.3	0	0	0	0	109.9	L320 C321 G323 F432 V436 K491 I493 L505	L320-V434 HydrophobicContact CD1-CG2 3.86Å; C321-V434 PolarHBondContact O-N 2.9Å; G323-V434 PolarHBondContact N-O 2.92Å; F432-V434 HydrophobicContact CD1-CG2 3.76Å; F432-V434 HydrophobicContact CE1-CG2 3.45Å; F432-V434 VanDerWaalsContact CE1-CG2 3.45Å; F432-V434 HydrophobicContact CZ-CG2 4.25Å; V434-V436 HydrophobicContact CG1-CG2 4.36Å; V434-K491 WeakPolarHBondContact CA-O 3.5Å; V434-K491 HydrophobicContact CG2-CB 4.41Å; V434-I493 HydrophobicContact CG1-CD1 3.79Å; V434-I493 HydrophobicContact CG1-CG1 4.1Å; V434-L505 HydrophobicContact CB-CD1 4.42Å; V434-L505 HydrophobicContact CG1-CD1 4.08Å; V434-L505 HydrophobicContact CG2-CD1 4.01Å
435	F	88.3	Confident	82	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	125.3	171.5	-179.4	-118.8	0	0	0	109.8	K437 M481 E482 F489 K491 V492 I493	F435-K437 HydrophobicContact CD1-CB 4.24Å; F435-K437 HydrophobicContact CE1-CB 3.73Å; F435-K437 HydrophobicContact CZ-CB 4.33Å; F435-M481 HydrophobicContact CE2-CB 4.04Å; F435-M481 HydrophobicContact CE2-SD 4.08Å; F435-M481 HydrophobicContact CZ-CB 3.97Å; F435-E482 HydrophobicContact CE1-CB 4.31Å; F435-F489 HydrophobicContact CB-CB 3.98Å; F435-F489 HydrophobicContact CB-CD1 3.88Å; F435-F489 HydrophobicContact CB-CD2 3.44Å; F435-F489 VanDerWaalsContact CB-CD2 3.44Å; F435-F489 HydrophobicContact CB-CE1 4.2Å; F435-F489 HydrophobicContact CB-CE2 3.8Å; F435-F489 HydrophobicContact CB-CG 3.5Å; F435-F489 VanDerWaalsContact CB-CG 3.5Å; F435-F489 HydrophobicContact CB-CZ 4.16Å; F435-F489 AromaticContact CD1-CD2 3.83Å; F435-F489 HydrophobicContact CD1-CD2 3.83Å; F435-F489 AromaticContact CD1-CE2 3.76Å; F435-F489 HydrophobicContact CD1-CE2 3.76Å; F435-F489 HydrophobicContact CD2-CD2 4.25Å; F435-F489 HydrophobicContact CD2-CE1 4.27Å; F435-F489 AromaticContact CD2-CE2 3.69Å; F435-F489 HydrophobicContact CD2-CE2 3.69Å; F435-F489 AromaticContact CD2-CZ 3.7Å; F435-F489 HydrophobicContact CD2-CZ 3.7Å; F435-F489 HydrophobicContact CE1-CE2 4.21Å; F435-F489 HydrophobicContact CE2-CE2 4.17Å; F435-F489 HydrophobicContact CE2-CZ 4.21Å; F435-F489 AromaticContact CG-CD2 3.59Å; F435-F489 HydrophobicContact CG-CD2 3.59Å; F435-F489 HydrophobicContact CG-CE1 4.42Å; F435-F489 AromaticContact CG-CE2 3.48Å; F435-F489 HydrophobicContact CG-CE2 3.48Å; F435-F489 VanDerWaalsContact CG-CE2 3.48Å; F435-F489 HydrophobicContact CG-CG 4.15Å; F435-F489 AromaticContact CG-CZ 3.92Å; F435-F489 HydrophobicContact CG-CZ 3.92Å; F435-F489 HydrophobicContact CZ-CE2 4.4Å; F435-K491 PolarHBondContact N-O 3.43Å; F435-V492 HydrophobicContact CB-CG2 4.42Å; F435-V492 HydrophobicContact CD1-CG1 4.06Å; F435-V492 HydrophobicContact CD1-CG2 4.34Å; F435-V492 CarbonylContact O-C 3.51Å; F435-V492 VanDerWaalsContact O-CA 3.29Å; F435-V492 WeakPolarHBondContact O-CA 3.17Å; F435-I493 PolarHBondContact O-N 3.48Å
436	V	87.1	Confident	81.9	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.006	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	119.1	176.4	-175.3	0	0	0	0	108.1	V329 M331 L334 V434 I493 N495	V329-V436 HydrophobicContact CG1-CB 4.28Å; V329-V436 HydrophobicContact CG1-CG1 3.6Å; M331-V436 HydrophobicContact CE-CB 3.55Å; M331-V436 HydrophobicContact CE-CG2 3.47Å; M331-V436 VanDerWaalsContact CE-CG2 3.47Å; M331-V436 HydrophobicContact SD-CB 4.14Å; M331-V436 HydrophobicContact SD-CG2 3.61Å; L334-V436 HydrophobicContact CD1-CG1 4.26Å; L334-V436 HydrophobicContact CD1-CG2 4.27Å; V434-V436 HydrophobicContact CG1-CG2 4.36Å; V436-I493 CarbonylContact C-O 3.57Å; V436-I493 WeakPolarHBondContact CA-O 3.42Å; V436-I493 HydrophobicContact CG2-CB 4.45Å; V436-N495 HydrophobicContact CG1-CB 3.61Å
437	K	87.4	Confident	81.6	Confident	50 Å²	50	51.1 Å²	51.1	22%	0.217	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	149.8	-178.5	73.5	178.1	-178.8	-178.1	0	112.1	F435 E482 V492 I493 V494 N495	F435-K437 HydrophobicContact CD1-CB 4.24Å; F435-K437 HydrophobicContact CE1-CB 3.73Å; F435-K437 HydrophobicContact CZ-CB 4.33Å; K437-E482 VanDerWaalsContact NZ-CD 3.35Å; K437-E482 IonicContact NZ-OE1 3.86Å; K437-E482 PolarHBondContact NZ-OE1 3.29Å; K437-E482 IonicContact NZ-OE2 3.05Å; K437-E482 PolarHBondContact NZ-OE2 3.02Å; K437-V492 HydrophobicContact CD-CG1 3.71Å; K437-V492 HydrophobicContact CG-CG1 3.96Å; K437-I493 PolarHBondContact N-O 2.91Å; K437-V494 HydrophobicContact CD-CG2 4.38Å; K437-V494 HydrophobicContact CG-CG2 3.9Å; K437-V494 WeakPolarHBondContact O-CA 3.37Å; K437-N495 PolarHBondContact O-N 3.35Å
438	P	86.8	Confident	81.5	Confident	9 Å²	9	51.3 Å²	51.3	6%	0.058	23%	0.229	C	C	.	.			trans	-66	152.8	173.7	28.3	-35.4	0	0	0	111.8	V329 L444 M474 L475 A478	V329-P438 HydrophobicContact CG2-CB 4.19Å; V329-P438 HydrophobicContact CG2-CG 4.37Å; P438-L444 HydrophobicContact CB-CD1 4.09Å; P438-L444 HydrophobicContact CB-CD2 4.06Å; P438-L444 HydrophobicContact CB-CG 4.48Å; P438-M474 HydrophobicContact CB-CG 4.24Å; P438-M474 HydrophobicContact CB-SD 3.75Å; P438-M474 HydrophobicContact CG-CG 4.08Å; P438-M474 HydrophobicContact CG-SD 4.26Å; P438-L475 HydrophobicContact CB-CD2 4.45Å; P438-L475 HydrophobicContact CG-CD2 3.99Å; P438-A478 HydrophobicContact CG-CB 3.87Å
439	P	87.1	Confident	80.5	Confident	8 Å²	8	55.6 Å²	55.6	5%	0.052	25%	0.247	C	C	.	.			trans	-70.2	176.7	166.6	33.9	-38	0	0	0	110.5	R443 L444 V494 N495 D496	P439-R443 HydrophobicContact CB-CB 3.9Å; P439-R443 HydrophobicContact CG-CB 4.12Å; P439-L444 HydrophobicContact CG-CD2 3.78Å; P439-L444 HydrophobicContact CG-CG 3.97Å; P439-V494 HydrophobicContact CB-CG1 4Å; P439-N495 VanDerWaalsContact CD-O 3.29Å; P439-N495 WeakPolarHBondContact CD-O 3.44Å; P439-D496 HydrophobicContact CB-CB 4.23Å; P439-D496 HydrophobicContact CG-CB 4.49Å
440	K	85.6	Confident	79.4	Confident	176 Å²	176	62.6 Å²	62.6	77%	0.765	28%	0.284	S	S	*	.			trans	-58.9	156.6	176.7	-64.6	-174.9	179.6	-178.1	0	111.4	E442 R443 L444	K440-E442 VanDerWaalsContact C-N 3.29Å; K440-E442 PolarHBondContact O-N 3.04Å; K440-R443 PolarHBondContact O-N 2.82Å; K440-L444 PolarHBondContact O-N 3.49Å
441	M	81.5	Confident	78.3	Confident	36 Å²	36	61.7 Å²	61.7	18%	0.177	29%	0.287	C	S	.	.	H	α-helix	trans	-47.8	-47.7	-177.9	-172.5	62.4	92.7	0	0	113.4	R443 L444 R445 E468 F471 Q472 L475	M441-R443 VanDerWaalsContact C-N 3.3Å; M441-R443 PolarHBondContact O-N 3.04Å; M441-L444 WeakPolarHBondContact O-CB 3.44Å; M441-L444 PolarHBondContact O-N 2.79Å; M441-L444 VanDerWaalsContact O-N 3.13Å; M441-R445 WeakPolarHBondContact O-CG 3.29Å; M441-R445 PolarHBondContact O-N 2.98Å; M441-E468 WeakPolarHBondContact CG-OE1 3.36Å; M441-F471 HydrophobicContact CE-CB 3.9Å; M441-F471 HydrophobicContact SD-CB 3.39Å; M441-F471 WeakPolarHBondContact SD-CB 3.12Å; M441-F471 HydrophobicContact SD-CD2 4.38Å; M441-F471 HydrophobicContact SD-CG 4.2Å; M441-Q472 HydrophobicContact CE-CB 4.08Å; M441-Q472 VanDerWaalsContact CE-OE1 3.24Å; M441-L475 HydrophobicContact CB-CD1 3.96Å; M441-L475 HydrophobicContact CE-CD1 3.7Å; M441-L475 HydrophobicContact SD-CD1 4.04Å
442	E	80.3	Confident	77	Confident	152 Å²	152	68.7 Å²	68.7	71%	0.71	32%	0.318	S	S	*	.	H	α-helix	trans	-58.4	-42.7	-178.8	-59	-166.8	156.1	0	0	112.5	K440 R445 E446	K440-E442 VanDerWaalsContact C-N 3.29Å; K440-E442 PolarHBondContact O-N 3.04Å; E442-R445 PolarHBondContact O-N 2.8Å; E442-E446 PolarHBondContact O-N 3.27Å
443	R	79.6	Confident	75.8	Confident	128 Å²	128	69.2 Å²	69.2	48%	0.483	32%	0.321	S	S	.	.	H	α-helix	trans	-71	-34.5	177.5	-75.1	-68	179.7	132.7	-14.2	112.9	P439 K440 M441 R445 E446 T447 D496	P439-R443 HydrophobicContact CB-CB 3.9Å; P439-R443 HydrophobicContact CG-CB 4.12Å; K440-R443 PolarHBondContact O-N 2.82Å; M441-R443 VanDerWaalsContact C-N 3.3Å; M441-R443 PolarHBondContact O-N 3.04Å; R443-R445 VanDerWaalsContact C-N 3.31Å; R443-R445 PolarHBondContact O-N 3.43Å; R443-E446 IonicContact NE-OE2 2.73Å; R443-E446 PolarHBondContact O-N 2.9Å; R443-T447 WeakPolarHBondContact O-CB 3.4Å; R443-T447 WeakPolarHBondContact O-CG2 3.35Å; R443-T447 PolarHBondContact O-N 2.92Å; R443-T447 PolarHBondContact O-OG1 2.8Å; R443-D496 IonicContact NH1-OD2 3.12Å; R443-D496 PolarHBondContact NH1-OD2 2.88Å
444	L	78.7	Confident	74.3	Confident	0 Å²	0	76.4 Å²	76.4	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-60.9	-42.6	172.1	-74.7	174.5	0	0	0	111.4	P438 P439 K440 M441 E446 T447 R448 F471 M474 L475	P438-L444 HydrophobicContact CB-CD1 4.09Å; P438-L444 HydrophobicContact CB-CD2 4.06Å; P438-L444 HydrophobicContact CB-CG 4.48Å; P439-L444 HydrophobicContact CG-CD2 3.78Å; P439-L444 HydrophobicContact CG-CG 3.97Å; K440-L444 PolarHBondContact O-N 3.49Å; M441-L444 WeakPolarHBondContact O-CB 3.44Å; M441-L444 PolarHBondContact O-N 2.79Å; M441-L444 VanDerWaalsContact O-N 3.13Å; L444-E446 VanDerWaalsContact C-N 3.29Å; L444-E446 PolarHBondContact O-N 2.89Å; L444-T447 PolarHBondContact O-N 3.48Å; L444-R448 VanDerWaalsContact CD2-CZ 3.43Å; L444-R448 VanDerWaalsContact CD2-NH1 3.25Å; L444-R448 WeakPolarHBondContact O-CB 3.23Å; L444-R448 PolarHBondContact O-N 2.85Å; L444-F471 HydrophobicContact CB-CD1 3.9Å; L444-F471 HydrophobicContact CB-CE1 4.1Å; L444-F471 HydrophobicContact CB-CG 4.27Å; L444-F471 HydrophobicContact CD1-CB 4.18Å; L444-F471 HydrophobicContact CD1-CD1 4.06Å; L444-F471 HydrophobicContact CD1-CG 4.4Å; L444-F471 HydrophobicContact CG-CD1 4.4Å; L444-M474 HydrophobicContact CD1-SD 4.47Å; L444-M474 HydrophobicContact CD2-SD 4.3Å; L444-L475 HydrophobicContact CD1-CD1 4.37Å; L444-L475 HydrophobicContact CD1-CD2 4.36Å; L444-L475 HydrophobicContact CD1-CG 4.18Å
445	R	76.6	Confident	72.2	Confident	145 Å²	145	78.3 Å²	78.3	55%	0.547	37%	0.371	S	S	.	.	H	α-helix	trans	-62.8	-35.9	178.8	-67.1	175.3	78.8	-160.4	1.2	112	M441 E442 R443 K449 E468 F471	M441-R445 WeakPolarHBondContact O-CG 3.29Å; M441-R445 PolarHBondContact O-N 2.98Å; E442-R445 PolarHBondContact O-N 2.8Å; R443-R445 VanDerWaalsContact C-N 3.31Å; R443-R445 PolarHBondContact O-N 3.43Å; R445-K449 WeakPolarHBondContact O-CB 3.45Å; R445-E468 IonicContact NE-OE2 3.39Å; R445-E468 PolarHBondContact NE-OE2 3.04Å; R445-F471 HydrophobicContact CG-CD2 4.42Å; R445-F471 HydrophobicContact CG-CE2 4.39Å
446	E	74.2	Confident	70.2	Confident	132 Å²	132	83.1 Å²	83.1	62%	0.617	40%	0.404	S	S	*	.	H	α-helix	trans	-75.1	-50.9	176.7	-70	172.9	-178.8	0	0	112.3	E442 R443 L444	E442-E446 PolarHBondContact O-N 3.27Å; R443-E446 IonicContact NE-OE2 2.73Å; R443-E446 PolarHBondContact O-N 2.9Å; L444-E446 VanDerWaalsContact C-N 3.29Å; L444-E446 PolarHBondContact O-N 2.89Å
447	T	70.2	Confident	68.3	Low	63 Å²	63	90.8 Å²	90.8	39%	0.387	44%	0.438	S	S	.	.	H	α-helix	trans	-76.3	-28.7	-171.1	54.3	0	0	0	0	113.4	R443 L444	R443-T447 WeakPolarHBondContact O-CB 3.4Å; R443-T447 WeakPolarHBondContact O-CG2 3.35Å; R443-T447 PolarHBondContact O-N 2.92Å; R443-T447 PolarHBondContact O-OG1 2.8Å; L444-T447 PolarHBondContact O-N 3.48Å
448	R	68.7	Low	66	Low	21 Å²	21	93.4 Å²	93.4	8%	0.079	45%	0.454	C	S	.	.	S	Bend	trans	-115	8.2	-171.6	-60.3	-171.5	-172.8	158.1	7	114.9	G328 V329 L444 N450 A451 F466 F471 M474 N495	G328-R448 PolarHBondContact O-NH1 3.14Å; G328-R448 VanDerWaalsContact O-NH1 3.16Å; V329-R448 PolarHBondContact O-NH2 3.17Å; L444-R448 VanDerWaalsContact CD2-CZ 3.43Å; L444-R448 VanDerWaalsContact CD2-NH1 3.25Å; L444-R448 WeakPolarHBondContact O-CB 3.23Å; L444-R448 PolarHBondContact O-N 2.85Å; R448-N450 PolarHBondContact O-N 2.83Å; R448-N450 VanDerWaalsContact O-N 3.11Å; R448-A451 HydrophobicContact CB-CB 3.96Å; R448-A451 HydrophobicContact CG-CB 4.28Å; R448-A451 PolarHBondContact O-N 3.24Å; R448-F466 HydrophobicContact CB-CD2 4.22Å; R448-F471 HydrophobicContact CB-CE1 3.89Å; R448-F471 HydrophobicContact CB-CZ 4.01Å; R448-M474 PolarHBondContact NH1-SD 3.4Å; R448-N495 PolarHBondContact NH2-O 2.8Å
449	K	58.8	Low	63.8	Low	167 Å²	167	99.4 Å²	99.4	73%	0.726	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	-33.3	175.4	-154.8	172.5	179.2	178.8	0	113.6	R445	R445-K449 WeakPolarHBondContact O-CB 3.45Å
450	N	53.4	Low	61.7	Low	152 Å²	152	107.2 Å²	107.2	81%	0.813	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.7	-1.9	179.8	-62.1	-27.2	0	0	0	113.2	R448	R448-N450 PolarHBondContact O-N 2.83Å; R448-N450 VanDerWaalsContact O-N 3.11Å
451	A	58.7	Low	59.7	Low	36 Å²	36	103.1 Å²	103.1	30%	0.298	53%	0.527	S	S	.	.			trans	-79.4	131.1	-179.4	0	0	0	0	0	109.7	R448 F466	R448-A451 HydrophobicContact CB-CB 3.96Å; R448-A451 HydrophobicContact CG-CB 4.28Å; R448-A451 PolarHBondContact O-N 3.24Å; A451-F466 HydrophobicContact CB-CD2 4.2Å; A451-F466 HydrophobicContact CB-CE2 4.03Å; A451-F466 WeakPolarHBondContact O-CD2 3.46Å
452	K	56.7	Low	57.8	Low	148 Å²	148	105.2 Å²	105.2	64%	0.643	55%	0.545	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	127.1	-178.1	-79.4	165.8	168.5	-167.5	0	109.6	I454 A463	K452-I454 PolarHBondContact O-N 2.92Å; K452-A463 HydrophobicContact CB-CB 3.55Å; K452-A463 HydrophobicContact CD-CB 3.64Å; K452-A463 HydrophobicContact CG-CB 3.72Å
453	I	58.1	Low	56.6	Low	26 Å²	26	99.9 Å²	99.9	13%	0.133	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	113.9	170.4	-62	172.6	0	0	0	107.7	S455 R464 F466 D470	I453-S455 VanDerWaalsContact C-N 3.27Å; I453-S455 PolarHBondContact O-N 2.89Å; I453-S455 VanDerWaalsContact O-N 3.14Å; I453-R464 HydrophobicContact CB-CG 4.11Å; I453-R464 HydrophobicContact CD1-CG 4.31Å; I453-R464 PolarHBondContact N-O 3.16Å; I453-F466 HydrophobicContact CD1-CB 4.45Å; I453-F466 HydrophobicContact CD1-CD1 3.52Å; I453-F466 HydrophobicContact CD1-CD2 4.35Å; I453-F466 HydrophobicContact CD1-CE1 3.71Å; I453-F466 HydrophobicContact CD1-CG 3.86Å; I453-F466 HydrophobicContact CD1-CZ 4.22Å; I453-F466 HydrophobicContact CG1-CD1 3.71Å; I453-F466 HydrophobicContact CG1-CD2 3.78Å; I453-F466 HydrophobicContact CG1-CE1 3.55Å; I453-F466 HydrophobicContact CG1-CE2 3.63Å; I453-F466 HydrophobicContact CG1-CG 3.81Å; I453-F466 HydrophobicContact CG1-CZ 3.51Å; I453-D470 HydrophobicContact CD1-CB 4.5Å; I453-D470 WeakPolarHBondContact CD1-OD2 3.5Å
454	I	54.4	Low	56	Low	155 Å²	155	98.6 Å²	98.6	80%	0.795	52%	0.521	S	S	*	.			trans	-83.7	84.5	164.6	-54.3	173.9	0	0	0	106.3	K452 S456	K452-I454 PolarHBondContact O-N 2.92Å; I454-S456 PolarHBondContact O-N 3.42Å
455	S	44.5	Very low	55.4	Low	40 Å²	40	102.7 Å²	102.7	28%	0.28	55%	0.548	S	S	.	.			trans	-69.9	123.7	173.9	166.6	0	0	0	0	108.5	I453 K457	I453-S455 VanDerWaalsContact C-N 3.27Å; I453-S455 PolarHBondContact O-N 2.89Å; I453-S455 VanDerWaalsContact O-N 3.14Å; S455-K457 PolarHBondContact O-N 2.95Å; S455-K457 WeakPolarHBondContact OG-CA 3.07Å; S455-K457 WeakPolarHBondContact OG-CB 3.27Å; S455-K457 PolarHBondContact OG-N 3.33Å
456	S	45.2	Very low	55.2	Low	101 Å²	101	97.3 Å²	97.3	71%	0.706	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	1.6	165.2	77	0	0	0	0	112.5	Y390 I454 D458	Y390-S456 PolarHBondContact OH-O 2.95Å; I454-S456 PolarHBondContact O-N 3.42Å; S456-D458 VanDerWaalsContact C-N 3.32Å; S456-D458 PolarHBondContact O-N 3.32Å
457	K	47.3	Very low	55.4	Low	162 Å²	162	93.5 Å²	93.5	70%	0.704	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-15.7	-173.4	-132.1	175.3	-173.4	-179.5	0	112.7	S455	S455-K457 PolarHBondContact O-N 2.95Å; S455-K457 WeakPolarHBondContact OG-CA 3.07Å; S455-K457 WeakPolarHBondContact OG-CB 3.27Å; S455-K457 PolarHBondContact OG-N 3.33Å
458	D	38.8	Very low	55.8	Low	105 Å²	105	94.2 Å²	94.2	56%	0.561	51%	0.514	S	S	*	.			trans	-135.2	126.4	178	-64.3	-55.8	0	0	0	112	S456 K460	S456-D458 VanDerWaalsContact C-N 3.32Å; S456-D458 PolarHBondContact O-N 3.32Å; D458-K460 PolarHBondContact O-N 3.49Å
459	D	41.1	Very low	56.4	Low	135 Å²	135	99.5 Å²	99.5	72%	0.722	54%	0.539	S	S	*	.	S	Bend	trans	-67.1	22.6	171.6	-94.7	-53.9	0	0	0	112.9	K391	K391-D459 IonicContact NZ-OD2 2.88Å; K391-D459 PolarHBondContact NZ-OD2 3.48Å
460	K	43.7	Very low	57.4	Low	172 Å²	172	92.6 Å²	92.6	75%	0.748	51%	0.51	S	S	*	.	S	Bend	trans	-130.1	117.7	169.6	-71.6	-177.5	178.7	179.3	0	106.1	D458 S462	D458-K460 PolarHBondContact O-N 3.49Å; K460-S462 PolarHBondContact O-N 3.36Å; K460-S462 PolarHBondContact O-OG 2.99Å
461	G	43.2	Very low	58.8	Low	90 Å²	90	85.8 Å²	85.8	93%	0.928	47%	0.474	S	S	*	.			trans	-63.6	53.2	-177.6	0	0	0	0	0	115.4	A463	G461-A463 VanDerWaalsContact C-N 3.3Å; G461-A463 PolarHBondContact O-N 3.1Å; G461-A463 VanDerWaalsContact O-N 3.08Å
462	S	42.2	Very low	60	Low	80 Å²	80	88.2 Å²	88.2	56%	0.559	48%	0.479	S	S	*	.			trans	-80.3	84.4	167.4	49.7	0	0	0	0	108.5	K460 R464	K460-S462 PolarHBondContact O-N 3.36Å; K460-S462 PolarHBondContact O-OG 2.99Å; S462-R464 VanDerWaalsContact C-N 3.33Å; S462-R464 PolarHBondContact O-N 3.01Å
463	A	55	Low	61.3	Low	39 Å²	39	86.7 Å²	86.7	32%	0.322	47%	0.474	S	S	.	.			trans	-52.3	96.5	159.5	0	0	0	0	0	109.8	K452 G461	K452-A463 HydrophobicContact CB-CB 3.55Å; K452-A463 HydrophobicContact CD-CB 3.64Å; K452-A463 HydrophobicContact CG-CB 3.72Å; G461-A463 VanDerWaalsContact C-N 3.3Å; G461-A463 PolarHBondContact O-N 3.1Å; G461-A463 VanDerWaalsContact O-N 3.08Å
464	R	66.3	Low	62.5	Low	101 Å²	101	85.7 Å²	85.7	38%	0.381	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	140.8	176.9	72.6	-179.7	-175.7	93.2	-1.1	110.1	I453 S462 D470	I453-R464 HydrophobicContact CB-CG 4.11Å; I453-R464 HydrophobicContact CD1-CG 4.31Å; I453-R464 PolarHBondContact N-O 3.16Å; S462-R464 VanDerWaalsContact C-N 3.33Å; S462-R464 PolarHBondContact O-N 3.01Å; R464-D470 IonicContact CZ-OD1 2.67Å; R464-D470 IonicContact CZ-OD2 3.16Å; R464-D470 VanDerWaalsContact CZ-OD2 3.31Å; R464-D470 IonicContact NH1-OD1 3.97Å; R464-D470 PolarHBondContact NH1-OD1 2.99Å; R464-D470 IonicContact NH1-OD2 3.14Å; R464-D470 PolarHBondContact NH1-OD2 3.38Å; R464-D470 VanDerWaalsContact NH2-CG 3.34Å; R464-D470 IonicContact NH2-OD1 3.22Å; R464-D470 PolarHBondContact NH2-OD1 3.24Å; R464-D470 IonicContact NH2-OD2 3.9Å; R464-D470 PolarHBondContact NH2-OD2 3.38Å
465	P	66.9	Low	64.1	Low	87 Å²	87	80.1 Å²	80.1	57%	0.565	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.9	152.6	169.3	28.4	-33	0	0	0	109.6
466	F	71.4	Confident	66.1	Low	31 Å²	31	82.1 Å²	82.1	14%	0.136	45%	0.448	C	S	.	.	P	Polyproline II helix	trans	-61.4	134.8	171	-78.7	-89.3	0	0	0	110.4	R448 A451 I453 D470 F471 M474	R448-F466 HydrophobicContact CB-CD2 4.22Å; A451-F466 HydrophobicContact CB-CD2 4.2Å; A451-F466 HydrophobicContact CB-CE2 4.03Å; A451-F466 WeakPolarHBondContact O-CD2 3.46Å; I453-F466 HydrophobicContact CD1-CB 4.45Å; I453-F466 HydrophobicContact CD1-CD1 3.52Å; I453-F466 HydrophobicContact CD1-CD2 4.35Å; I453-F466 HydrophobicContact CD1-CE1 3.71Å; I453-F466 HydrophobicContact CD1-CG 3.86Å; I453-F466 HydrophobicContact CD1-CZ 4.22Å; I453-F466 HydrophobicContact CG1-CD1 3.71Å; I453-F466 HydrophobicContact CG1-CD2 3.78Å; I453-F466 HydrophobicContact CG1-CE1 3.55Å; I453-F466 HydrophobicContact CG1-CE2 3.63Å; I453-F466 HydrophobicContact CG1-CG 3.81Å; I453-F466 HydrophobicContact CG1-CZ 3.51Å; F466-D470 HydrophobicContact CD1-CB 4.01Å; F466-F471 HydrophobicContact CB-CD1 4.31Å; F466-F471 HydrophobicContact CB-CE1 3.51Å; F466-F471 HydrophobicContact CB-CE2 3.99Å; F466-F471 HydrophobicContact CB-CZ 3.32Å; F466-F471 HydrophobicContact CD1-CD1 4.17Å; F466-F471 AromaticContact CD1-CE1 3.8Å; F466-F471 HydrophobicContact CD1-CE1 3.8Å; F466-F471 HydrophobicContact CD1-CZ 4.49Å; F466-F471 HydrophobicContact CD2-CE1 4.37Å; F466-F471 HydrophobicContact CG-CD1 4.43Å; F466-F471 AromaticContact CG-CE1 3.65Å; F466-F471 HydrophobicContact CG-CE1 3.65Å; F466-F471 AromaticContact CG-CZ 3.96Å; F466-F471 HydrophobicContact CG-CZ 3.96Å; F466-M474 HydrophobicContact CD1-CE 4.12Å; F466-M474 HydrophobicContact CE1-CE 3.51Å; F466-M474 HydrophobicContact CZ-CE 4.27Å
467	T	78.2	Confident	68	Low	52 Å²	52	79 Å²	79	32%	0.319	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-93.9	166.2	168.4	74.9	0	0	0	0	110.7	E469 D470 F471	T467-E469 WeakPolarHBondContact CB-OE2 3.36Å; T467-E469 PolarHBondContact O-N 3.32Å; T467-E469 PolarHBondContact OG1-OE2 2.95Å; T467-D470 PolarHBondContact N-OD2 3.28Å; T467-D470 WeakPolarHBondContact O-CB 3.37Å; T467-D470 PolarHBondContact O-N 2.92Å; T467-D470 PolarHBondContact OG1-N 3.37Å; T467-D470 PolarHBondContact OG1-OD2 3.02Å; T467-F471 WeakPolarHBondContact O-CD2 3.39Å; T467-F471 PolarHBondContact O-N 2.81Å
468	E	78.2	Confident	69.8	Low	78 Å²	78	71.6 Å²	71.6	36%	0.364	39%	0.393	S	S	.	.	H	α-helix	trans	-64	-33.9	178.6	-166.4	70.3	-158	0	0	111.2	M441 R445 D470 F471 Q472	M441-E468 WeakPolarHBondContact CG-OE1 3.36Å; R445-E468 IonicContact NE-OE2 3.39Å; R445-E468 PolarHBondContact NE-OE2 3.04Å; E468-D470 VanDerWaalsContact C-N 3.33Å; E468-D470 PolarHBondContact O-N 3.47Å; E468-F471 PolarHBondContact O-N 3.39Å; E468-Q472 PolarHBondContact O-N 3.11Å
469	E	81.4	Confident	72.1	Confident	132 Å²	132	73.1 Å²	73.1	62%	0.617	40%	0.397	S	S	*	.	H	α-helix	trans	-63.4	-39.7	175.4	-57.2	72.7	-155	0	0	111.3	T467 F471 Q472 E473	T467-E469 WeakPolarHBondContact CB-OE2 3.36Å; T467-E469 PolarHBondContact O-N 3.32Å; T467-E469 PolarHBondContact OG1-OE2 2.95Å; E469-F471 VanDerWaalsContact C-N 3.32Å; E469-F471 PolarHBondContact O-N 3.47Å; E469-Q472 PolarHBondContact O-N 3.19Å; E469-E473 WeakPolarHBondContact O-CB 3.33Å; E469-E473 PolarHBondContact O-N 3.48Å
470	D	80.4	Confident	74.2	Confident	23 Å²	23	71.3 Å²	71.3	12%	0.123	39%	0.386	C	S	.	.	H	α-helix	trans	-63.8	-39	176	-61.8	-44.6	0	0	0	111.2	I453 R464 F466 T467 E468 M474	I453-D470 HydrophobicContact CD1-CB 4.5Å; I453-D470 WeakPolarHBondContact CD1-OD2 3.5Å; R464-D470 IonicContact CZ-OD1 2.67Å; R464-D470 IonicContact CZ-OD2 3.16Å; R464-D470 VanDerWaalsContact CZ-OD2 3.31Å; R464-D470 IonicContact NH1-OD1 3.97Å; R464-D470 PolarHBondContact NH1-OD1 2.99Å; R464-D470 IonicContact NH1-OD2 3.14Å; R464-D470 PolarHBondContact NH1-OD2 3.38Å; R464-D470 VanDerWaalsContact NH2-CG 3.34Å; R464-D470 IonicContact NH2-OD1 3.22Å; R464-D470 PolarHBondContact NH2-OD1 3.24Å; R464-D470 IonicContact NH2-OD2 3.9Å; R464-D470 PolarHBondContact NH2-OD2 3.38Å; F466-D470 HydrophobicContact CD1-CB 4.01Å; T467-D470 PolarHBondContact N-OD2 3.28Å; T467-D470 WeakPolarHBondContact O-CB 3.37Å; T467-D470 PolarHBondContact O-N 2.92Å; T467-D470 PolarHBondContact OG1-N 3.37Å; T467-D470 PolarHBondContact OG1-OD2 3.02Å; E468-D470 VanDerWaalsContact C-N 3.33Å; E468-D470 PolarHBondContact O-N 3.47Å; D470-M474 WeakPolarHBondContact O-CB 3.31Å; D470-M474 PolarHBondContact O-N 3.37Å
471	F	82.3	Confident	76.1	Confident	9 Å²	9	64.4 Å²	64.4	4%	0.039	36%	0.356	C	S	.	.	H	α-helix	trans	-67.3	-39.1	176.5	-63.7	-47.5	0	0	0	111.7	M441 L444 R445 R448 F466 T467 E468 E469 M474 L475	M441-F471 HydrophobicContact CE-CB 3.9Å; M441-F471 HydrophobicContact SD-CB 3.39Å; M441-F471 WeakPolarHBondContact SD-CB 3.12Å; M441-F471 HydrophobicContact SD-CD2 4.38Å; M441-F471 HydrophobicContact SD-CG 4.2Å; L444-F471 HydrophobicContact CB-CD1 3.9Å; L444-F471 HydrophobicContact CB-CE1 4.1Å; L444-F471 HydrophobicContact CB-CG 4.27Å; L444-F471 HydrophobicContact CD1-CB 4.18Å; L444-F471 HydrophobicContact CD1-CD1 4.06Å; L444-F471 HydrophobicContact CD1-CG 4.4Å; L444-F471 HydrophobicContact CG-CD1 4.4Å; R445-F471 HydrophobicContact CG-CD2 4.42Å; R445-F471 HydrophobicContact CG-CE2 4.39Å; R448-F471 HydrophobicContact CB-CE1 3.89Å; R448-F471 HydrophobicContact CB-CZ 4.01Å; F466-F471 HydrophobicContact CB-CD1 4.31Å; F466-F471 HydrophobicContact CB-CE1 3.51Å; F466-F471 HydrophobicContact CB-CE2 3.99Å; F466-F471 HydrophobicContact CB-CZ 3.32Å; F466-F471 HydrophobicContact CD1-CD1 4.17Å; F466-F471 AromaticContact CD1-CE1 3.8Å; F466-F471 HydrophobicContact CD1-CE1 3.8Å; F466-F471 HydrophobicContact CD1-CZ 4.49Å; F466-F471 HydrophobicContact CD2-CE1 4.37Å; F466-F471 HydrophobicContact CG-CD1 4.43Å; F466-F471 AromaticContact CG-CE1 3.65Å; F466-F471 HydrophobicContact CG-CE1 3.65Å; F466-F471 AromaticContact CG-CZ 3.96Å; F466-F471 HydrophobicContact CG-CZ 3.96Å; T467-F471 WeakPolarHBondContact O-CD2 3.39Å; T467-F471 PolarHBondContact O-N 2.81Å; E468-F471 PolarHBondContact O-N 3.39Å; E469-F471 VanDerWaalsContact C-N 3.32Å; E469-F471 PolarHBondContact O-N 3.47Å; F471-M474 HydrophobicContact CD1-CE 4.42Å; F471-M474 WeakPolarHBondContact O-CB 3.44Å; F471-M474 PolarHBondContact O-N 2.97Å; F471-L475 WeakPolarHBondContact O-CG 3.33Å; F471-L475 PolarHBondContact O-N 3.35Å
472	Q	84.6	Confident	78	Confident	87 Å²	87	63.7 Å²	63.7	41%	0.407	33%	0.329	S	S	.	.	H	α-helix	trans	-68.9	-42.9	177.6	-168.4	62.2	52.2	0	0	111.6	M441 E468 E469 M474 L475 N476	M441-Q472 HydrophobicContact CE-CB 4.08Å; M441-Q472 VanDerWaalsContact CE-OE1 3.24Å; E468-Q472 PolarHBondContact O-N 3.11Å; E469-Q472 PolarHBondContact O-N 3.19Å; Q472-M474 VanDerWaalsContact C-N 3.26Å; Q472-M474 PolarHBondContact O-N 3.07Å; Q472-L475 PolarHBondContact O-N 3.08Å; Q472-N476 PolarHBondContact NE2-OD1 2.76Å; Q472-N476 WeakPolarHBondContact O-CB 3.49Å; Q472-N476 PolarHBondContact O-N 3.26Å; Q472-N476 PolarHBondContact O-ND2 2.84Å; Q472-N476 PolarHBondContact O-OD1 2.84Å
473	E	83.9	Confident	79.7	Confident	116 Å²	116	64.7 Å²	64.7	54%	0.542	34%	0.336	S	S	.	.	H	α-helix	trans	-59.2	-41.4	173.5	-174.2	179.5	-175.4	0	0	110.8	E469 N476 T477	E469-E473 WeakPolarHBondContact O-CB 3.33Å; E469-E473 PolarHBondContact O-N 3.48Å; E473-N476 PolarHBondContact O-N 3.08Å; E473-T477 VanDerWaalsContact O-CB 3.25Å; E473-T477 WeakPolarHBondContact O-CB 3.48Å; E473-T477 PolarHBondContact O-N 2.86Å; E473-T477 PolarHBondContact O-OG1 2.88Å
474	M	84.4	Confident	80.9	Confident	4 Å²	4	66.9 Å²	66.9	2%	0.02	34%	0.339	C	S	.	.	H	α-helix	trans	-62.3	-44.8	177.5	-165.4	-169.7	-61.3	0	0	112.4	P326 V329 P438 L444 R448 F466 D470 F471 Q472 A478	P326-M474 HydrophobicContact CB-CB 4.26Å; P326-M474 HydrophobicContact CB-CG 3.4Å; P326-M474 VanDerWaalsContact CB-CG 3.4Å; P326-M474 WeakPolarHBondContact CB-O 3.49Å; P326-M474 HydrophobicContact CG-CG 4.2Å; P326-M474 VanDerWaalsContact CG-O 3.29Å; P326-M474 WeakPolarHBondContact CG-O 3.47Å; V329-M474 HydrophobicContact CG2-CG 3.81Å; V329-M474 HydrophobicContact CG2-SD 3.57Å; V329-M474 VanDerWaalsContact CG2-SD 3.57Å; P438-M474 HydrophobicContact CB-CG 4.24Å; P438-M474 HydrophobicContact CB-SD 3.75Å; P438-M474 HydrophobicContact CG-CG 4.08Å; P438-M474 HydrophobicContact CG-SD 4.26Å; L444-M474 HydrophobicContact CD1-SD 4.47Å; L444-M474 HydrophobicContact CD2-SD 4.3Å; R448-M474 PolarHBondContact NH1-SD 3.4Å; F466-M474 HydrophobicContact CD1-CE 4.12Å; F466-M474 HydrophobicContact CE1-CE 3.51Å; F466-M474 HydrophobicContact CZ-CE 4.27Å; D470-M474 WeakPolarHBondContact O-CB 3.31Å; D470-M474 PolarHBondContact O-N 3.37Å; F471-M474 HydrophobicContact CD1-CE 4.42Å; F471-M474 WeakPolarHBondContact O-CB 3.44Å; F471-M474 PolarHBondContact O-N 2.97Å; Q472-M474 VanDerWaalsContact C-N 3.26Å; Q472-M474 PolarHBondContact O-N 3.07Å; M474-A478 WeakPolarHBondContact O-CB 3.23Å; M474-A478 PolarHBondContact O-N 3.14Å
475	L	86.4	Confident	81.5	Confident	39 Å²	39	63.7 Å²	63.7	20%	0.204	33%	0.328	C	S	.	.	H	α-helix	trans	-66.6	-47.2	177.3	-74.4	168.9	0	0	0	111.8	P438 M441 L444 F471 Q472 T477 A478 E479	P438-L475 HydrophobicContact CB-CD2 4.45Å; P438-L475 HydrophobicContact CG-CD2 3.99Å; M441-L475 HydrophobicContact CB-CD1 3.96Å; M441-L475 HydrophobicContact CE-CD1 3.7Å; M441-L475 HydrophobicContact SD-CD1 4.04Å; L444-L475 HydrophobicContact CD1-CD1 4.37Å; L444-L475 HydrophobicContact CD1-CD2 4.36Å; L444-L475 HydrophobicContact CD1-CG 4.18Å; F471-L475 WeakPolarHBondContact O-CG 3.33Å; F471-L475 PolarHBondContact O-N 3.35Å; Q472-L475 PolarHBondContact O-N 3.08Å; L475-T477 VanDerWaalsContact C-N 3.3Å; L475-T477 PolarHBondContact O-N 2.99Å; L475-A478 WeakPolarHBondContact O-CB 3.37Å; L475-A478 PolarHBondContact O-N 3.13Å; L475-A478 VanDerWaalsContact O-N 3.13Å; L475-E479 PolarHBondContact O-N 3.03Å
476	N	86.6	Confident	81.9	Confident	81 Å²	81	59.8 Å²	59.8	43%	0.433	30%	0.303	S	S	.	.	H	α-helix	trans	-60.4	-42.5	178.7	-68.5	-8.2	0	0	0	111.1	Q472 E473 A478 E479 M480	Q472-N476 PolarHBondContact NE2-OD1 2.76Å; Q472-N476 WeakPolarHBondContact O-CB 3.49Å; Q472-N476 PolarHBondContact O-N 3.26Å; Q472-N476 PolarHBondContact O-ND2 2.84Å; Q472-N476 PolarHBondContact O-OD1 2.84Å; E473-N476 PolarHBondContact O-N 3.08Å; N476-A478 VanDerWaalsContact C-N 3.35Å; N476-E479 PolarHBondContact O-N 3.41Å; N476-M480 WeakPolarHBondContact O-CB 3.44Å; N476-M480 PolarHBondContact O-N 2.94Å
477	T	84.8	Confident	82.1	Confident	36 Å²	36	60.1 Å²	60.1	22%	0.221	31%	0.305	C	S	.	.	H	α-helix	trans	-64.7	-40.9	176.5	-56.7	0	0	0	0	111	P326 E473 L475 M481	P326-T477 HydrophobicContact CB-CG2 4.36Å; P326-T477 HydrophobicContact CG-CG2 4.42Å; E473-T477 VanDerWaalsContact O-CB 3.25Å; E473-T477 WeakPolarHBondContact O-CB 3.48Å; E473-T477 PolarHBondContact O-N 2.86Å; E473-T477 PolarHBondContact O-OG1 2.88Å; L475-T477 VanDerWaalsContact C-N 3.3Å; L475-T477 PolarHBondContact O-N 2.99Å; T477-M481 HydrophobicContact CG2-CE 3.64Å; T477-M481 HydrophobicContact CG2-CG 4.46Å; T477-M481 HydrophobicContact CG2-SD 4.06Å; T477-M481 WeakPolarHBondContact O-CB 3.42Å; T477-M481 VanDerWaalsContact O-CG 3.24Å; T477-M481 WeakPolarHBondContact O-CG 3.4Å; T477-M481 PolarHBondContact O-N 3.47Å
478	A	86.4	Confident	82	Confident	6 Å²	6	58.4 Å²	58.4	5%	0.05	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-46.7	177.5	0	0	0	0	0	111.9	P326 P438 M474 L475 N476 M481 E482	P326-A478 HydrophobicContact CG-CB 3.65Å; P438-A478 HydrophobicContact CG-CB 3.87Å; M474-A478 WeakPolarHBondContact O-CB 3.23Å; M474-A478 PolarHBondContact O-N 3.14Å; L475-A478 WeakPolarHBondContact O-CB 3.37Å; L475-A478 PolarHBondContact O-N 3.13Å; L475-A478 VanDerWaalsContact O-N 3.13Å; N476-A478 VanDerWaalsContact C-N 3.35Å; A478-M481 PolarHBondContact O-N 3.22Å; A478-E482 WeakPolarHBondContact O-CB 3.29Å; A478-E482 PolarHBondContact O-N 3.47Å
479	E	86.6	Confident	82.2	Confident	138 Å²	138	55.2 Å²	55.2	65%	0.645	28%	0.279	S	S	*	.	H	α-helix	trans	-66.1	-43.5	-179.5	-174.5	172.2	-158.4	0	0	111.5	L475 N476 M481 E482 S483	L475-E479 PolarHBondContact O-N 3.03Å; N476-E479 PolarHBondContact O-N 3.41Å; E479-M481 VanDerWaalsContact C-N 3.33Å; E479-M481 PolarHBondContact O-N 3.2Å; E479-E482 PolarHBondContact O-N 3.47Å; E479-S483 VanDerWaalsContact O-CB 3.31Å; E479-S483 WeakPolarHBondContact O-CB 3.33Å; E479-S483 PolarHBondContact O-N 3.38Å
480	M	85.1	Confident	82.1	Confident	96 Å²	96	51.5 Å²	51.5	47%	0.473	26%	0.262	S	S	.	.	H	α-helix	trans	-58.4	-45.7	173.9	-178	-174.3	65.2	0	0	111.3	N476 S483 Q484	N476-M480 WeakPolarHBondContact O-CB 3.44Å; N476-M480 PolarHBondContact O-N 2.94Å; M480-S483 PolarHBondContact O-N 3.2Å; M480-Q484 WeakPolarHBondContact O-CB 3.34Å; M480-Q484 WeakPolarHBondContact O-CG 3.23Å; M480-Q484 PolarHBondContact O-N 3.45Å
481	M	82.9	Confident	82.3	Confident	28 Å²	28	53.2 Å²	53.2	14%	0.138	27%	0.268	C	S	.	.	H	α-helix	trans	-66.8	-41.3	178.8	-74	178.9	176.1	0	0	112.4	P324 F435 T477 A478 E479 Y485 G486	P324-M481 HydrophobicContact CB-CE 4.48Å; P324-M481 HydrophobicContact CG-CE 4Å; P324-M481 HydrophobicContact CG-SD 4.36Å; F435-M481 HydrophobicContact CE2-CB 4.04Å; F435-M481 HydrophobicContact CE2-SD 4.08Å; F435-M481 HydrophobicContact CZ-CB 3.97Å; T477-M481 HydrophobicContact CG2-CE 3.64Å; T477-M481 HydrophobicContact CG2-CG 4.46Å; T477-M481 HydrophobicContact CG2-SD 4.06Å; T477-M481 WeakPolarHBondContact O-CB 3.42Å; T477-M481 VanDerWaalsContact O-CG 3.24Å; T477-M481 WeakPolarHBondContact O-CG 3.4Å; T477-M481 PolarHBondContact O-N 3.47Å; A478-M481 PolarHBondContact O-N 3.22Å; E479-M481 VanDerWaalsContact C-N 3.33Å; E479-M481 PolarHBondContact O-N 3.2Å; M481-Y485 WeakPolarHBondContact O-CA 3.49Å; M481-Y485 WeakPolarHBondContact O-CB 3.47Å; M481-Y485 PolarHBondContact O-N 3.05Å; M481-G486 PolarHBondContact O-N 2.91Å
482	E	83.1	Confident	82.5	Confident	74 Å²	74	54.8 Å²	54.8	35%	0.346	28%	0.278	S	S	.	.	H	α-helix	trans	-64.7	-40	177.5	-170.4	163.8	-147.7	0	0	111	F435 K437 A478 E479 G486	F435-E482 HydrophobicContact CE1-CB 4.31Å; K437-E482 VanDerWaalsContact NZ-CD 3.35Å; K437-E482 IonicContact NZ-OE1 3.86Å; K437-E482 PolarHBondContact NZ-OE1 3.29Å; K437-E482 IonicContact NZ-OE2 3.05Å; K437-E482 PolarHBondContact NZ-OE2 3.02Å; A478-E482 WeakPolarHBondContact O-CB 3.29Å; A478-E482 PolarHBondContact O-N 3.47Å; E479-E482 PolarHBondContact O-N 3.47Å; E482-G486 WeakPolarHBondContact O-CA 3.46Å; E482-G486 PolarHBondContact O-N 3.43Å
483	S	79.3	Confident	82.7	Confident	102 Å²	102	50.7 Å²	50.7	71%	0.713	26%	0.259	S	S	*	.	H	α-helix	trans	-67.9	-46.5	176.7	-178.5	0	0	0	0	112.9	E479 M480	E479-S483 VanDerWaalsContact O-CB 3.31Å; E479-S483 WeakPolarHBondContact O-CB 3.33Å; E479-S483 PolarHBondContact O-N 3.38Å; M480-S483 PolarHBondContact O-N 3.2Å
484	Q	79	Confident	82.9	Confident	84 Å²	84	48.5 Å²	48.5	39%	0.393	25%	0.253	S	S	.	.	H	α-helix	trans	-79	-44.8	-176.2	-68.7	-178.8	6.3	0	0	113	M480 H487	M480-Q484 WeakPolarHBondContact O-CB 3.34Å; M480-Q484 WeakPolarHBondContact O-CG 3.23Å; M480-Q484 PolarHBondContact O-N 3.45Å; Q484-H487 PolarHBondContact O-CE1 2.97Å; Q484-H487 PolarHBondContact O-ND1 3.4Å
485	Y	80.2	Confident	83	Confident	34 Å²	34	48.5 Å²	48.5	13%	0.133	25%	0.254	C	S	.	.	H	α-helix	trans	-115.4	2.5	-168.8	-55.2	-71.8	0	0	0	113.7	P418 H419 M481 H487 L488	P418-Y485 HydrophobicContact CB-CD1 3.52Å; P418-Y485 HydrophobicContact CB-CD2 3.63Å; P418-Y485 HydrophobicContact CB-CE1 3.93Å; P418-Y485 HydrophobicContact CB-CE2 4.05Å; P418-Y485 HydrophobicContact CB-CG 3.37Å; P418-Y485 HydrophobicContact CG-CD2 3.74Å; P418-Y485 HydrophobicContact CG-CE2 4.08Å; P418-Y485 HydrophobicContact CG-CG 4Å; H419-Y485 AromaticContact CE1-CZ 3.98Å; H419-Y485 PolarHBondContact CE1-OH 3.19Å; H419-Y485 AromaticContact NE2-CZ 3.81Å; H419-Y485 PolarHBondContact NE2-OH 2.83Å; M481-Y485 WeakPolarHBondContact O-CA 3.49Å; M481-Y485 WeakPolarHBondContact O-CB 3.47Å; M481-Y485 PolarHBondContact O-N 3.05Å; Y485-H487 PolarHBondContact O-N 2.99Å; Y485-L488 HydrophobicContact CD1-CD1 4.02Å; Y485-L488 WeakPolarHBondContact O-CB 3.44Å; Y485-L488 PolarHBondContact O-N 2.84Å
486	G	74.7	Confident	82.9	Confident	5 Å²	5	49.2 Å²	49.2	5%	0.052	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-48.7	-38.5	-178.2	0	0	0	0	0	113.3	K207 M481 E482 L488 F489	K207-G486 VanDerWaalsContact CE-O 3.27Å; K207-G486 WeakPolarHBondContact CE-O 3.5Å; K207-G486 PolarHBondContact NZ-O 3.09Å; M481-G486 PolarHBondContact O-N 2.91Å; E482-G486 WeakPolarHBondContact O-CA 3.46Å; E482-G486 PolarHBondContact O-N 3.43Å; G486-L488 PolarHBondContact O-N 3.48Å; G486-F489 PolarHBondContact O-N 3.15Å; G486-F489 VanDerWaalsContact O-N 3.1Å
487	H	74.9	Confident	82.7	Confident	38 Å²	38	48.8 Å²	48.8	18%	0.176	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-61.3	-20.1	178.4	65.2	-79.8	0	0	0	115.2	L185 F301 Q484 Y485	L185-H487 HydrophobicContact CB-CB 4.1Å; L185-H487 HydrophobicContact CD1-CB 4.45Å; F301-H487 AromaticContact CG-NE2 3.81Å; Q484-H487 PolarHBondContact O-CE1 2.97Å; Q484-H487 PolarHBondContact O-ND1 3.4Å; Y485-H487 PolarHBondContact O-N 2.99Å
488	L	75.9	Confident	82.7	Confident	16 Å²	16	49.9 Å²	49.9	8%	0.084	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-84.9	-22.5	176.1	-60.2	177.3	0	0	0	112.6	F301 V433 Y485 G486	F301-L488 HydrophobicContact CD1-CD2 3.98Å; F301-L488 HydrophobicContact CE1-CD2 3.65Å; F301-L488 HydrophobicContact CZ-CD2 4.21Å; V433-L488 WeakPolarHBondContact CB-O 3.38Å; Y485-L488 HydrophobicContact CD1-CD1 4.02Å; Y485-L488 WeakPolarHBondContact O-CB 3.44Å; Y485-L488 PolarHBondContact O-N 2.84Å; G486-L488 PolarHBondContact O-N 3.48Å
489	F	83.1	Confident	82.7	Confident	11 Å²	11	53.4 Å²	53.4	5%	0.048	28%	0.281	C	S	.	.			trans	-82	123.2	-174.9	-49.7	-33.4	0	0	0	110.5	V433 F435 G486 V492	V433-F489 HydrophobicContact CG1-CD1 3.72Å; V433-F489 HydrophobicContact CG1-CE1 4.41Å; F435-F489 HydrophobicContact CB-CB 3.98Å; F435-F489 HydrophobicContact CB-CD1 3.88Å; F435-F489 HydrophobicContact CB-CD2 3.44Å; F435-F489 VanDerWaalsContact CB-CD2 3.44Å; F435-F489 HydrophobicContact CB-CE1 4.2Å; F435-F489 HydrophobicContact CB-CE2 3.8Å; F435-F489 HydrophobicContact CB-CG 3.5Å; F435-F489 VanDerWaalsContact CB-CG 3.5Å; F435-F489 HydrophobicContact CB-CZ 4.16Å; F435-F489 AromaticContact CD1-CD2 3.83Å; F435-F489 HydrophobicContact CD1-CD2 3.83Å; F435-F489 AromaticContact CD1-CE2 3.76Å; F435-F489 HydrophobicContact CD1-CE2 3.76Å; F435-F489 HydrophobicContact CD2-CD2 4.25Å; F435-F489 HydrophobicContact CD2-CE1 4.27Å; F435-F489 AromaticContact CD2-CE2 3.69Å; F435-F489 HydrophobicContact CD2-CE2 3.69Å; F435-F489 AromaticContact CD2-CZ 3.7Å; F435-F489 HydrophobicContact CD2-CZ 3.7Å; F435-F489 HydrophobicContact CE1-CE2 4.21Å; F435-F489 HydrophobicContact CE2-CE2 4.17Å; F435-F489 HydrophobicContact CE2-CZ 4.21Å; F435-F489 AromaticContact CG-CD2 3.59Å; F435-F489 HydrophobicContact CG-CD2 3.59Å; F435-F489 HydrophobicContact CG-CE1 4.42Å; F435-F489 AromaticContact CG-CE2 3.48Å; F435-F489 HydrophobicContact CG-CE2 3.48Å; F435-F489 VanDerWaalsContact CG-CE2 3.48Å; F435-F489 HydrophobicContact CG-CG 4.15Å; F435-F489 AromaticContact CG-CZ 3.92Å; F435-F489 HydrophobicContact CG-CZ 3.92Å; F435-F489 HydrophobicContact CZ-CE2 4.4Å; G486-F489 PolarHBondContact O-N 3.15Å; G486-F489 VanDerWaalsContact O-N 3.1Å; F489-V492 HydrophobicContact CB-CG2 4.4Å
490	E	79.3	Confident	82.8	Confident	55 Å²	55	51.2 Å²	51.2	26%	0.257	28%	0.277	S	S	.	.	S	Bend	trans	-82.2	-33	176.3	-66.2	-165.8	-131.7	0	0	111.8	R183 R313 F432 V433	R183-E490 IonicContact NH1-OE2 2.72Å; R313-E490 IonicContact NH2-OE1 2.71Å; R313-E490 IonicContact NH2-OE2 3.85Å; F432-E490 HydrophobicContact CD2-CB 3.94Å; F432-E490 HydrophobicContact CD2-CG 4.28Å; F432-E490 WeakPolarHBondContact CD2-OE2 3.48Å; F432-E490 HydrophobicContact CE2-CB 3.61Å; F432-E490 HydrophobicContact CE2-CG 4.39Å; F432-E490 HydrophobicContact CZ-CB 4.46Å; V433-E490 PolarHBondContact O-N 3.29Å
491	K	84.5	Confident	83	Confident	58 Å²	58	46.7 Å²	46.7	25%	0.252	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	136.1	177.9	-177.9	64.8	176.6	167.4	0	109.8	F432 V433 V434 F435 I493 E504 A508	F432-K491 HydrophobicContact CZ-CB 4.03Å; V433-K491 PolarHBondContact O-N 2.95Å; V434-K491 WeakPolarHBondContact CA-O 3.5Å; V434-K491 HydrophobicContact CG2-CB 4.41Å; F435-K491 PolarHBondContact N-O 3.43Å; K491-I493 HydrophobicContact CG-CD1 4.48Å; K491-I493 HydrophobicContact CG-CG1 4.04Å; K491-E504 WeakPolarHBondContact CE-OE1 3.44Å; K491-E504 IonicContact NZ-OE1 3.76Å; K491-E504 PolarHBondContact NZ-OE1 2.98Å; K491-A508 HydrophobicContact CG-CB 4.43Å
492	V	87.6	Confident	83.2	Confident	43 Å²	43	46.8 Å²	46.8	26%	0.261	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	129	170.7	-178.8	0	0	0	0	107.9	F435 K437 F489	F435-V492 HydrophobicContact CB-CG2 4.42Å; F435-V492 HydrophobicContact CD1-CG1 4.06Å; F435-V492 HydrophobicContact CD1-CG2 4.34Å; F435-V492 CarbonylContact O-C 3.51Å; F435-V492 VanDerWaalsContact O-CA 3.29Å; F435-V492 WeakPolarHBondContact O-CA 3.17Å; K437-V492 HydrophobicContact CD-CG1 3.71Å; K437-V492 HydrophobicContact CG-CG1 3.96Å; F489-V492 HydrophobicContact CB-CG2 4.4Å
493	I	88.3	Confident	83.5	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131.7	178.3	-61.7	179.5	0	0	0	108	V434 F435 V436 K437 K491 A501 E504 L505	V434-I493 HydrophobicContact CG1-CD1 3.79Å; V434-I493 HydrophobicContact CG1-CG1 4.1Å; F435-I493 PolarHBondContact O-N 3.48Å; V436-I493 CarbonylContact C-O 3.57Å; V436-I493 WeakPolarHBondContact CA-O 3.42Å; V436-I493 HydrophobicContact CG2-CB 4.45Å; K437-I493 PolarHBondContact N-O 2.91Å; K491-I493 HydrophobicContact CG-CD1 4.48Å; K491-I493 HydrophobicContact CG-CG1 4.04Å; I493-A501 HydrophobicContact CG2-CB 3.94Å; I493-E504 HydrophobicContact CD1-CG 4.36Å; I493-E504 HydrophobicContact CG1-CG 4.33Å; I493-L505 HydrophobicContact CD1-CB 3.79Å; I493-L505 HydrophobicContact CD1-CD1 3.98Å; I493-L505 HydrophobicContact CD1-CG 4.45Å
494	V	89.1	Confident	84	Confident	69 Å²	69	44.6 Å²	44.6	42%	0.418	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	114	174.6	-176.9	0	0	0	0	108.1	K437 P439 D496	K437-V494 HydrophobicContact CD-CG2 4.38Å; K437-V494 HydrophobicContact CG-CG2 3.9Å; K437-V494 WeakPolarHBondContact O-CA 3.37Å; P439-V494 HydrophobicContact CB-CG1 4Å; V494-D496 PolarHBondContact O-N 3.17Å; V494-D496 VanDerWaalsContact O-N 3.1Å
495	N	86.3	Confident	84.4	Confident	5 Å²	5	40.6 Å²	40.6	3%	0.027	22%	0.221	C	C	.	.			trans	-87.6	75.6	-177.9	-170.9	26.7	0	0	0	112.1	V329 V436 K437 P439 R448 D497 L498 A501	V329-N495 HydrophobicContact CG1-CB 4.22Å; V329-N495 PolarHBondContact O-ND2 3.01Å; V436-N495 HydrophobicContact CG1-CB 3.61Å; K437-N495 PolarHBondContact O-N 3.35Å; P439-N495 VanDerWaalsContact CD-O 3.29Å; P439-N495 WeakPolarHBondContact CD-O 3.44Å; R448-N495 PolarHBondContact NH2-O 2.8Å; N495-D497 PolarHBondContact OD1-O 2.85Å; N495-L498 WeakPolarHBondContact ND2-CD2 3.42Å; N495-A501 HydrophobicContact CB-CB 4.29Å; N495-A501 VanDerWaalsContact OD1-CB 3.28Å; N495-A501 WeakPolarHBondContact OD1-CB 3.17Å
496	D	83.3	Confident	84.8	Confident	54 Å²	54	42.1 Å²	42.1	29%	0.289	23%	0.229	S	C	.	.	S	Bend	trans	-77	-54.1	169.7	-164.4	26.6	0	0	0	110.8	P439 R443 V494	P439-D496 HydrophobicContact CB-CB 4.23Å; P439-D496 HydrophobicContact CG-CB 4.49Å; R443-D496 IonicContact NH1-OD2 3.12Å; R443-D496 PolarHBondContact NH1-OD2 2.88Å; V494-D496 PolarHBondContact O-N 3.17Å; V494-D496 VanDerWaalsContact O-N 3.1Å
497	D	83.4	Confident	85.4	Confident	72 Å²	72	45 Å²	45	39%	0.385	25%	0.249	S	C	.	.	S	Bend	trans	-120.6	134.6	173.3	166.6	56.7	0	0	0	111	N495 T499 T500 A501	N495-D497 PolarHBondContact OD1-O 2.85Å; D497-T499 VanDerWaalsContact C-N 3.26Å; D497-T499 PolarHBondContact O-N 3.37Å; D497-T499 WeakPolarHBondContact OD2-CA 3.21Å; D497-T499 VanDerWaalsContact OD2-CB 3.24Å; D497-T499 WeakPolarHBondContact OD2-CB 3.26Å; D497-T499 PolarHBondContact OD2-N 3.3Å; D497-T499 VanDerWaalsContact OD2-N 3.08Å; D497-T500 PolarHBondContact O-N 2.93Å; D497-T500 PolarHBondContact OD2-N 2.65Å; D497-T500 PolarHBondContact OD2-OG1 2.65Å; D497-A501 WeakPolarHBondContact O-CB 3.15Å; D497-A501 PolarHBondContact O-N 3.44Å
498	L	83.5	Confident	85.9	Confident	58 Å²	58	43.3 Å²	43.3	30%	0.304	24%	0.242	S	C	.	.	H	α-helix	trans	-62.3	-32.4	-177.6	-76.5	171.1	0	0	0	112.6	E333 L334 N495 F502	E333-L498 HydrophobicContact CB-CD2 4.33Å; E333-L498 HydrophobicContact CG-CD1 4.05Å; E333-L498 HydrophobicContact CG-CD2 4.44Å; L334-L498 HydrophobicContact CD2-CD2 4.24Å; L334-L498 HydrophobicContact CG-CD2 4.31Å; N495-L498 WeakPolarHBondContact ND2-CD2 3.42Å; L498-F502 WeakPolarHBondContact O-CB 3.37Å; L498-F502 PolarHBondContact O-N 3.11Å
499	T	86.8	Confident	86.3	Confident	81 Å²	81	43.1 Å²	43.1	50%	0.497	24%	0.24	S	C	.	.	H	α-helix	trans	-75.7	-41.6	-177.7	-46.8	0	0	0	0	110.9	D497 F502 S503	D497-T499 VanDerWaalsContact C-N 3.26Å; D497-T499 PolarHBondContact O-N 3.37Å; D497-T499 WeakPolarHBondContact OD2-CA 3.21Å; D497-T499 VanDerWaalsContact OD2-CB 3.24Å; D497-T499 WeakPolarHBondContact OD2-CB 3.26Å; D497-T499 PolarHBondContact OD2-N 3.3Å; D497-T499 VanDerWaalsContact OD2-N 3.08Å; T499-F502 PolarHBondContact O-N 3.16Å; T499-S503 WeakPolarHBondContact O-CB 3.46Å; T499-S503 PolarHBondContact O-N 3.36Å; T499-S503 PolarHBondContact O-OG 3.11Å
500	T	88.9	Confident	86.3	Confident	91 Å²	91	48.2 Å²	48.2	56%	0.558	26%	0.262	S	S	*	.	H	α-helix	trans	-66.4	-48.2	176.4	-52.9	0	0	0	0	111	D497 F502 S503 E504	D497-T500 PolarHBondContact O-N 2.93Å; D497-T500 PolarHBondContact OD2-N 2.65Å; D497-T500 PolarHBondContact OD2-OG1 2.65Å; T500-F502 VanDerWaalsContact C-N 3.31Å; T500-F502 PolarHBondContact O-N 3.42Å; T500-S503 PolarHBondContact O-N 2.97Å; T500-E504 PolarHBondContact O-N 3.2Å
501	A	88.3	Confident	86.5	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.008	28%	0.276	C	S	.	.	H	α-helix	trans	-61.9	-38.8	176.6	0	0	0	0	0	112.2	L334 I493 N495 D497 E504 L505	L334-A501 HydrophobicContact CD2-CB 4.31Å; I493-A501 HydrophobicContact CG2-CB 3.94Å; N495-A501 HydrophobicContact CB-CB 4.29Å; N495-A501 VanDerWaalsContact OD1-CB 3.28Å; N495-A501 WeakPolarHBondContact OD1-CB 3.17Å; D497-A501 WeakPolarHBondContact O-CB 3.15Å; D497-A501 PolarHBondContact O-N 3.44Å; A501-E504 PolarHBondContact O-N 3.35Å; A501-L505 VanDerWaalsContact O-CB 3.31Å; A501-L505 WeakPolarHBondContact O-CB 3.48Å; A501-L505 PolarHBondContact O-N 3.39Å
502	F	88.3	Confident	86.3	Confident	30 Å²	30	50.1 Å²	50.1	13%	0.132	27%	0.267	C	S	.	.	H	α-helix	trans	-62.7	-45.4	174.1	176.9	-98.5	0	0	0	112.2	L334 K337 L338 L498 T499 T500 E504 L505 Q506	L334-F502 HydrophobicContact CD2-CB 3.95Å; K337-F502 HydrophobicContact CB-CD2 3.78Å; K337-F502 HydrophobicContact CB-CE2 3.72Å; K337-F502 HydrophobicContact CD-CD2 4.48Å; L338-F502 HydrophobicContact CB-CE2 4.44Å; L338-F502 HydrophobicContact CD2-CD2 4.31Å; L338-F502 HydrophobicContact CD2-CE2 3.63Å; L338-F502 HydrophobicContact CD2-CZ 4.29Å; L338-F502 HydrophobicContact CG-CD2 4.35Å; L338-F502 HydrophobicContact CG-CE2 3.84Å; L498-F502 WeakPolarHBondContact O-CB 3.37Å; L498-F502 PolarHBondContact O-N 3.11Å; T499-F502 PolarHBondContact O-N 3.16Å; T500-F502 VanDerWaalsContact C-N 3.31Å; T500-F502 PolarHBondContact O-N 3.42Å; F502-E504 VanDerWaalsContact C-N 3.35Å; F502-E504 PolarHBondContact O-N 3.49Å; F502-L505 PolarHBondContact O-N 3.13Å; F502-Q506 WeakPolarHBondContact O-CB 3.21Å; F502-Q506 PolarHBondContact O-N 3.04Å
503	S	89.2	Confident	85.7	Confident	63 Å²	63	51 Å²	51	44%	0.441	27%	0.268	S	S	.	.	H	α-helix	trans	-64.2	-40.8	178.5	-58.1	0	0	0	0	111.7	T499 T500 Q506 S507	T499-S503 WeakPolarHBondContact O-CB 3.46Å; T499-S503 PolarHBondContact O-N 3.36Å; T499-S503 PolarHBondContact O-OG 3.11Å; T500-S503 PolarHBondContact O-N 2.97Å; S503-Q506 PolarHBondContact O-N 2.94Å; S503-S507 WeakPolarHBondContact O-CB 3.38Å; S503-S507 PolarHBondContact O-N 2.96Å
504	E	90.1	Very high	85.1	Confident	67 Å²	67	55.6 Å²	55.6	31%	0.313	30%	0.296	S	S	.	.	H	α-helix	trans	-63.6	-42.9	174.9	-173.1	176.4	-175.7	0	0	111.7	K491 I493 T500 A501 F502 S507 A508	K491-E504 WeakPolarHBondContact CE-OE1 3.44Å; K491-E504 IonicContact NZ-OE1 3.76Å; K491-E504 PolarHBondContact NZ-OE1 2.98Å; I493-E504 HydrophobicContact CD1-CG 4.36Å; I493-E504 HydrophobicContact CG1-CG 4.33Å; T500-E504 PolarHBondContact O-N 3.2Å; A501-E504 PolarHBondContact O-N 3.35Å; F502-E504 VanDerWaalsContact C-N 3.35Å; F502-E504 PolarHBondContact O-N 3.49Å; E504-S507 PolarHBondContact O-N 3.39Å; E504-A508 WeakPolarHBondContact O-CB 3.43Å; E504-A508 PolarHBondContact O-N 2.98Å
505	L	87.9	Confident	84.1	Confident	1 Å²	1	53.4 Å²	53.4	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-63.1	-45.2	176.7	-178.2	55.2	0	0	0	111.6	L334 L338 V434 I493 A501 F502 S507 A508 L509	L334-L505 HydrophobicContact CB-CD2 4.49Å; L338-L505 HydrophobicContact CD1-CD2 3.58Å; L338-L505 HydrophobicContact CD1-CG 4.17Å; L338-L505 HydrophobicContact CG-CD2 4.36Å; V434-L505 HydrophobicContact CB-CD1 4.42Å; V434-L505 HydrophobicContact CG1-CD1 4.08Å; V434-L505 HydrophobicContact CG2-CD1 4.01Å; I493-L505 HydrophobicContact CD1-CB 3.79Å; I493-L505 HydrophobicContact CD1-CD1 3.98Å; I493-L505 HydrophobicContact CD1-CG 4.45Å; A501-L505 VanDerWaalsContact O-CB 3.31Å; A501-L505 WeakPolarHBondContact O-CB 3.48Å; A501-L505 PolarHBondContact O-N 3.39Å; F502-L505 PolarHBondContact O-N 3.13Å; L505-S507 PolarHBondContact O-N 2.97Å; L505-A508 PolarHBondContact O-N 3.06Å; L505-L509 HydrophobicContact CD1-CD1 4.5Å; L505-L509 HydrophobicContact CG-CD1 4.35Å; L505-L509 WeakPolarHBondContact O-CG 3.41Å; L505-L509 PolarHBondContact O-N 3.42Å
506	Q	86.9	Confident	83.3	Confident	65 Å²	65	57.3 Å²	57.3	30%	0.304	31%	0.312	S	S	.	.	H	α-helix	trans	-64.2	-40.8	178.1	-164.8	-176.4	20.7	0	0	111.8	F502 S503 L509 K510	F502-Q506 WeakPolarHBondContact O-CB 3.21Å; F502-Q506 PolarHBondContact O-N 3.04Å; S503-Q506 PolarHBondContact O-N 2.94Å; Q506-L509 PolarHBondContact O-N 3.42Å; Q506-K510 WeakPolarHBondContact O-CG 3.33Å; Q506-K510 PolarHBondContact O-N 3.43Å
507	S	87.9	Confident	82.6	Confident	66 Å²	66	56.4 Å²	56.4	46%	0.462	31%	0.306	S	S	.	.	H	α-helix	trans	-63.2	-41.9	174.3	-178.2	0	0	0	0	111.8	S503 E504 L505 L509 K510 R511	S503-S507 WeakPolarHBondContact O-CB 3.38Å; S503-S507 PolarHBondContact O-N 2.96Å; E504-S507 PolarHBondContact O-N 3.39Å; L505-S507 PolarHBondContact O-N 2.97Å; S507-L509 PolarHBondContact O-N 3.42Å; S507-K510 PolarHBondContact O-N 3.2Å; S507-R511 WeakPolarHBondContact O-CB 3.38Å; S507-R511 WeakPolarHBondContact O-CG 3.33Å; S507-R511 PolarHBondContact O-N 3.35Å
508	A	85.8	Confident	81.8	Confident	3 Å²	3	55.2 Å²	55.2	3%	0.025	30%	0.296	C	S	.	.	H	α-helix	trans	-61.7	-43.6	175.4	0	0	0	0	0	111.9	F432 K491 E504 L505 R511 V512	F432-A508 HydrophobicContact CE1-CB 4.36Å; F432-A508 HydrophobicContact CZ-CB 4.44Å; K491-A508 HydrophobicContact CG-CB 4.43Å; E504-A508 WeakPolarHBondContact O-CB 3.43Å; E504-A508 PolarHBondContact O-N 2.98Å; L505-A508 PolarHBondContact O-N 3.06Å; A508-R511 WeakPolarHBondContact O-CB 3.38Å; A508-R511 PolarHBondContact O-N 3.46Å; A508-V512 VanDerWaalsContact O-CG2 3.31Å; A508-V512 WeakPolarHBondContact O-CG2 3.14Å; A508-V512 PolarHBondContact O-N 2.92Å
509	L	83.4	Confident	81.1	Confident	11 Å²	11	52.8 Å²	52.8	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-50.5	176.5	-70.6	169.9	0	0	0	112	L320 L338 F346 F432 L505 Q506 S507 R511 V512 E513	L320-L509 HydrophobicContact CD1-CD2 3.63Å; L320-L509 HydrophobicContact CD2-CD1 4.12Å; L320-L509 HydrophobicContact CD2-CD2 3.86Å; L320-L509 HydrophobicContact CG-CD2 4.21Å; L338-L509 HydrophobicContact CD1-CD1 4.35Å; L338-L509 HydrophobicContact CD2-CD1 4.08Å; F346-L509 HydrophobicContact CE1-CD1 3.89Å; F346-L509 HydrophobicContact CZ-CD1 3.88Å; F432-L509 HydrophobicContact CD1-CD2 4.27Å; L505-L509 HydrophobicContact CD1-CD1 4.5Å; L505-L509 HydrophobicContact CG-CD1 4.35Å; L505-L509 WeakPolarHBondContact O-CG 3.41Å; L505-L509 PolarHBondContact O-N 3.42Å; Q506-L509 PolarHBondContact O-N 3.42Å; S507-L509 PolarHBondContact O-N 3.42Å; L509-R511 PolarHBondContact O-N 3.17Å; L509-V512 WeakPolarHBondContact O-CB 3.43Å; L509-V512 PolarHBondContact O-N 3.41Å; L509-E513 WeakPolarHBondContact O-CG 3.21Å; L509-E513 PolarHBondContact O-N 3.03Å; L509-E513 VanDerWaalsContact O-N 3.15Å
510	K	83.4	Confident	80.2	Confident	118 Å²	118	49.4 Å²	49.4	51%	0.513	26%	0.263	S	S	.	.	H	α-helix	trans	-56.5	-39.7	176.4	-75.4	179.9	178.3	179.4	0	112.1	Q506 S507 E513 T514	Q506-K510 WeakPolarHBondContact O-CG 3.33Å; Q506-K510 PolarHBondContact O-N 3.43Å; S507-K510 PolarHBondContact O-N 3.2Å; K510-E513 PolarHBondContact O-N 3.3Å; K510-T514 WeakPolarHBondContact O-CB 3.31Å; K510-T514 WeakPolarHBondContact O-CG2 3.15Å; K510-T514 PolarHBondContact O-N 3.36Å; K510-T514 PolarHBondContact O-OG1 3.48Å
511	R	83.3	Confident	79.1	Confident	145 Å²	145	47.3 Å²	47.3	55%	0.547	25%	0.25	S	C	.	.	H	α-helix	trans	-62.6	-43.8	175.5	-80.5	176	54.3	-126.9	-9.8	111.7	S507 A508 L509 E513 T514 G515 H517	S507-R511 WeakPolarHBondContact O-CB 3.38Å; S507-R511 WeakPolarHBondContact O-CG 3.33Å; S507-R511 PolarHBondContact O-N 3.35Å; A508-R511 WeakPolarHBondContact O-CB 3.38Å; A508-R511 PolarHBondContact O-N 3.46Å; L509-R511 PolarHBondContact O-N 3.17Å; R511-E513 PolarHBondContact O-N 3.02Å; R511-T514 PolarHBondContact O-N 3.45Å; R511-G515 WeakPolarHBondContact O-CA 3.34Å; R511-G515 PolarHBondContact O-N 3.39Å; R511-H517 PolarHBondContact O-CE1 3.45Å
512	V	80	Confident	78	Confident	8 Å²	8	50.9 Å²	50.9	5%	0.048	28%	0.275	C	S	.	.	H	α-helix	trans	-59.4	-34.9	178.6	172.8	0	0	0	0	111.8	F432 A508 L509 H517	F432-V512 HydrophobicContact CD1-CG2 4.01Å; F432-V512 HydrophobicContact CD2-CG2 3.62Å; F432-V512 HydrophobicContact CE1-CG2 3.87Å; F432-V512 HydrophobicContact CE2-CG2 3.46Å; F432-V512 VanDerWaalsContact CE2-CG2 3.46Å; F432-V512 HydrophobicContact CG-CG2 3.91Å; F432-V512 HydrophobicContact CZ-CG2 3.6Å; A508-V512 VanDerWaalsContact O-CG2 3.31Å; A508-V512 WeakPolarHBondContact O-CG2 3.14Å; A508-V512 PolarHBondContact O-N 2.92Å; L509-V512 WeakPolarHBondContact O-CB 3.43Å; L509-V512 PolarHBondContact O-N 3.41Å; V512-H517 WeakPolarHBondContact CA-CE1 2.82Å; V512-H517 PolarHBondContact O-CE1 3.32Å; V512-H517 VanDerWaalsContact O-CE1 3.28Å; V512-H517 PolarHBondContact O-ND1 2.95Å
513	E	75.8	Confident	77.2	Confident	62 Å²	62	49.8 Å²	49.8	29%	0.29	27%	0.27	S	S	.	.	H	α-helix	trans	-82.9	-40.4	-178.2	-64.2	-177.3	148.9	0	0	113.9	H345 L509 K510 R511	H345-E513 IonicContact CE1-OE1 2.64Å; H345-E513 PolarHBondContact CE1-OE1 2.96Å; H345-E513 IonicContact CE1-OE2 2.91Å; H345-E513 IonicContact NE2-OE1 3.36Å; H345-E513 PolarHBondContact NE2-OE1 3.19Å; H345-E513 IonicContact NE2-OE2 3Å; L509-E513 WeakPolarHBondContact O-CG 3.21Å; L509-E513 PolarHBondContact O-N 3.03Å; L509-E513 VanDerWaalsContact O-N 3.15Å; K510-E513 PolarHBondContact O-N 3.3Å; R511-E513 PolarHBondContact O-N 3.02Å
514	T	76	Confident	76	Confident	98 Å²	98	49.3 Å²	49.3	60%	0.601	26%	0.264	S	S	*	.	H	α-helix	trans	-87.6	-27.3	-175.9	55.5	0	0	0	0	113.1	K510 R511	K510-T514 WeakPolarHBondContact O-CB 3.31Å; K510-T514 WeakPolarHBondContact O-CG2 3.15Å; K510-T514 PolarHBondContact O-N 3.36Å; K510-T514 PolarHBondContact O-OG1 3.48Å; R511-T514 PolarHBondContact O-N 3.45Å
515	G	68.1	Low	74.2	Confident	23 Å²	23	53.3 Å²	53.3	24%	0.237	28%	0.283	C	S	.	.	S	Bend	trans	-88.9	157.6	-175.6	0	0	0	0	0	114.7	R511 H517	R511-G515 WeakPolarHBondContact O-CA 3.34Å; R511-G515 PolarHBondContact O-N 3.39Å; G515-H517 VanDerWaalsContact C-CE1 3.49Å; G515-H517 PolarHBondContact O-CE1 3.48Å; G515-H517 VanDerWaalsContact O-CE1 3.24Å; G515-H517 PolarHBondContact O-ND1 3.16Å
516	T	68.4	Low	72	Confident	87 Å²	87	61.1 Å²	61.1	53%	0.534	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	130	166.4	48.3	0	0	0	0	110	R312	R312-T516 HydrophobicContact CG-CG2 3.81Å
517	H	69.6	Low	71.3	Confident	35 Å²	35	60.9 Å²	60.9	16%	0.162	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	140.8	-177.4	-61.2	80.6	0	0	0	111.2	P310 L311 R511 V512 G515 V519	P310-H517 WeakPolarHBondContact CA-O 3.39Å; L311-H517 PolarHBondContact N-O 2.9Å; L311-H517 VanDerWaalsContact N-O 3.16Å; L311-H517 PolarHBondContact O-N 2.73Å; R511-H517 PolarHBondContact O-CE1 3.45Å; V512-H517 WeakPolarHBondContact CA-CE1 2.82Å; V512-H517 PolarHBondContact O-CE1 3.32Å; V512-H517 VanDerWaalsContact O-CE1 3.28Å; V512-H517 PolarHBondContact O-ND1 2.95Å; G515-H517 VanDerWaalsContact C-CE1 3.49Å; G515-H517 PolarHBondContact O-CE1 3.48Å; G515-H517 VanDerWaalsContact O-CE1 3.24Å; G515-H517 PolarHBondContact O-ND1 3.16Å; H517-V519 PolarHBondContact O-N 2.61Å
518	W	66.3	Low	70.4	Confident	46 Å²	46	60.6 Å²	60.6	17%	0.174	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	119.2	165.8	-67.6	97	0	0	0	109.3	F181 I210 D227 L307 P310	F181-W518 HydrophobicContact CB-CE3 4.16Å; F181-W518 HydrophobicContact CB-CH2 4.05Å; F181-W518 HydrophobicContact CB-CZ3 3.55Å; F181-W518 AromaticContact CD1-CH2 3.44Å; F181-W518 HydrophobicContact CD1-CH2 3.44Å; F181-W518 VanDerWaalsContact CD1-CH2 3.44Å; F181-W518 HydrophobicContact CD1-CZ2 4.16Å; F181-W518 AromaticContact CD1-CZ3 3.9Å; F181-W518 HydrophobicContact CD1-CZ3 3.9Å; F181-W518 AromaticContact CD2-CH2 3.86Å; F181-W518 HydrophobicContact CD2-CH2 3.86Å; F181-W518 AromaticContact CD2-CZ3 3.78Å; F181-W518 HydrophobicContact CD2-CZ3 3.78Å; F181-W518 AromaticContact CE1-CH2 3.73Å; F181-W518 HydrophobicContact CE1-CH2 3.73Å; F181-W518 HydrophobicContact CE1-CZ2 4.39Å; F181-W518 HydrophobicContact CE2-CH2 4.13Å; F181-W518 HydrophobicContact CE2-CZ3 4.44Å; F181-W518 HydrophobicContact CG-CE3 4.48Å; F181-W518 AromaticContact CG-CH2 3.5Å; F181-W518 HydrophobicContact CG-CH2 3.5Å; F181-W518 AromaticContact CG-CZ3 3.46Å; F181-W518 HydrophobicContact CG-CZ3 3.46Å; F181-W518 VanDerWaalsContact CG-CZ3 3.46Å; F181-W518 HydrophobicContact CZ-CH2 4.07Å; I210-W518 HydrophobicContact CD1-CB 4.15Å; I210-W518 HydrophobicContact CD1-CG 3.92Å; I210-W518 HydrophobicContact CG1-CG 4.15Å; I210-W518 HydrophobicContact CG2-CD2 4.02Å; I210-W518 HydrophobicContact CG2-CE3 4.48Å; I210-W518 HydrophobicContact CG2-CG 4.4Å; I210-W518 HydrophobicContact CG2-CZ2 4.06Å; D227-W518 WeakPolarHBondContact OD2-CZ2 3.43Å; L307-W518 HydrophobicContact CB-CB 4.39Å; L307-W518 HydrophobicContact CB-CE3 3.82Å; L307-W518 HydrophobicContact CD1-CB 3.56Å; L307-W518 HydrophobicContact CD1-CD2 4.2Å; L307-W518 HydrophobicContact CD1-CE3 4.16Å; L307-W518 HydrophobicContact CD1-CG 3.99Å; L307-W518 HydrophobicContact CD2-CB 4.31Å; L307-W518 HydrophobicContact CG-CB 4.32Å; P310-W518 HydrophobicContact CG-CD2 3.92Å; P310-W518 HydrophobicContact CG-CE3 4.36Å; P310-W518 HydrophobicContact CG-CG 4.45Å; P310-W518 HydrophobicContact CG-CH2 4.14Å; P310-W518 HydrophobicContact CG-CZ2 3.67Å; P310-W518 HydrophobicContact CG-CZ3 4.45Å
519	V	68.2	Low	69.5	Low	7 Å²	7	63.8 Å²	63.8	4%	0.042	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	148.8	177.5	-68.9	0	0	0	0	109.9	L307 S308 L311 H517 W523 T524	L307-V519 CarbonylContact C-O 3.55Å; L307-V519 WeakPolarHBondContact CA-O 3.26Å; S308-V519 PolarHBondContact N-O 3.14Å; L311-V519 HydrophobicContact CD1-CG2 4.1Å; H517-V519 PolarHBondContact O-N 2.61Å; V519-W523 HydrophobicContact CB-CE3 3.99Å; V519-W523 HydrophobicContact CG1-CE3 4.04Å; V519-W523 HydrophobicContact CG1-CZ3 4.44Å; V519-T524 HydrophobicContact CG2-CG2 3.91Å
520	P	68.8	Low	68.7	Low	11 Å²	11	66.9 Å²	66.9	7%	0.071	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.1	141.8	171.8	-25.9	33	0	0	0	112.4	L306 R425 S522 W523	L306-P520 CarbonylContact O-C 3.58Å; L306-P520 VanDerWaalsContact O-CA 3.24Å; L306-P520 WeakPolarHBondContact O-CA 3.33Å; R425-P520 VanDerWaalsContact NH1-CG 3.28Å; P520-S522 WeakPolarHBondContact CB-OG 3.49Å; P520-S522 PolarHBondContact O-N 3.35Å; P520-W523 HydrophobicContact CB-CD2 4.29Å; P520-W523 HydrophobicContact CB-CG 4.14Å; P520-W523 HydrophobicContact CG-CD2 3.91Å; P520-W523 HydrophobicContact CG-CE3 4.27Å; P520-W523 HydrophobicContact CG-CG 4.28Å; P520-W523 HydrophobicContact CG-CZ2 4.4Å; P520-W523 WeakPolarHBondContact O-CB 3.46Å; P520-W523 PolarHBondContact O-N 2.9Å
521	V	66.3	Low	67.8	Low	46 Å²	46	63.8 Å²	63.8	28%	0.279	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-58.2	-31.6	175.2	-179.9	0	0	0	0	111.7	L306 L307 S308 W523 T524	L306-V521 HydrophobicContact CB-CB 4.34Å; L306-V521 HydrophobicContact CB-CG2 3.77Å; L306-V521 PolarHBondContact O-N 3.36Å; L307-V521 VanDerWaalsContact C-CG2 3.43Å; S308-V521 WeakPolarHBondContact OG-CA 3.48Å; S308-V521 WeakPolarHBondContact OG-CG2 3.47Å; V521-W523 PolarHBondContact O-N 2.94Å; V521-T524 PolarHBondContact O-N 3.5Å; V521-T524 VanDerWaalsContact O-N 3.13Å; V521-T524 PolarHBondContact O-OG1 3.36Å
522	S	65	Low	66.8	Low	77 Å²	77	58.3 Å²	58.3	54%	0.538	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-61.5	-8.5	173.7	59.9	0	0	0	0	114.2	P520	P520-S522 WeakPolarHBondContact CB-OG 3.49Å; P520-S522 PolarHBondContact O-N 3.35Å
523	W	71.6	Confident	65.8	Low	7 Å²	7	61.9 Å²	61.9	3%	0.027	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-105	-4.3	179.8	-63.6	-1.4	0	0	0	113.9	R425 T426 K430 P431 V519 P520 V521	R425-W523 HydrophobicContact CB-CZ2 4.47Å; R425-W523 HydrophobicContact CG-CZ2 3.65Å; R425-W523 PolarHBondContact O-NE1 3.42Å; T426-W523 PolarHBondContact O-NE1 2.93Å; K430-W523 HydrophobicContact CB-CE3 3.97Å; K430-W523 HydrophobicContact CB-CH2 4.41Å; K430-W523 HydrophobicContact CB-CZ3 3.89Å; K430-W523 WeakPolarHBondContact CE-O 3.45Å; K430-W523 HydrophobicContact CG-CD2 4.1Å; K430-W523 HydrophobicContact CG-CE3 3.74Å; K430-W523 HydrophobicContact CG-CG 4.48Å; K430-W523 HydrophobicContact CG-CZ3 4.2Å; P431-W523 HydrophobicContact CG-CH2 4.35Å; P431-W523 HydrophobicContact CG-CZ2 4.32Å; V519-W523 HydrophobicContact CB-CE3 3.99Å; V519-W523 HydrophobicContact CG1-CE3 4.04Å; V519-W523 HydrophobicContact CG1-CZ3 4.44Å; P520-W523 HydrophobicContact CB-CD2 4.29Å; P520-W523 HydrophobicContact CB-CG 4.14Å; P520-W523 HydrophobicContact CG-CD2 3.91Å; P520-W523 HydrophobicContact CG-CE3 4.27Å; P520-W523 HydrophobicContact CG-CG 4.28Å; P520-W523 HydrophobicContact CG-CZ2 4.4Å; P520-W523 WeakPolarHBondContact O-CB 3.46Å; P520-W523 PolarHBondContact O-N 2.9Å; V521-W523 PolarHBondContact O-N 2.94Å
524	T	63.4	Low	65	Low	52 Å²	52	61.9 Å²	61.9	32%	0.319	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-20.1	-177.9	53.2	0	0	0	0	113.7	S308 L311 V519 V521	S308-T524 VanDerWaalsContact CB-CG2 3.42Å; S308-T524 VanDerWaalsContact OG-CG2 3.3Å; S308-T524 WeakPolarHBondContact OG-CG2 3.45Å; S308-T524 PolarHBondContact OG-OG1 3.29Å; L311-T524 HydrophobicContact CD1-CG2 3.63Å; V519-T524 HydrophobicContact CG2-CG2 3.91Å; V521-T524 PolarHBondContact O-N 3.5Å; V521-T524 VanDerWaalsContact O-N 3.13Å; V521-T524 PolarHBondContact O-OG1 3.36Å
525	H	52.6	Low	64.1	Low	152 Å²	152	58.9 Å²	58.9	70%	0.704	35%	0.353	S	S	*	.			trans	-97.8	104.9	169.9	-61.7	-78.8	0	0	0	108.5
526	S	41.3	Very low	63.8	Low	164 Å²	164	62.2 Å²	62.2	100%	1.147	36%	0.363	S	S	*	.			trans	-133.7	0	167.5	-167.2	0	0	0	0	110.3

Retrieved 526 of 526 residues in 807.9 ms (Link to these results)

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