A0A0D9RPY1_CHLSB Loading...

Golgi-resident adenosine 3',5'-bisphosphate 3'-phosphatase

Exhibits 3'-nucleotidase activity toward adenosine 3',5'-bisphosphate (PAP), namely hydrolyzes adenosine 3',5'-bisphosphate into adenosine 5'-monophosphate (AMP) and a phosphate. May play a role in the formation of skeletal elements derived through endochondral ossification, possibly by clearing adenosine 3',5'-bisphosphate produced by Golgi sulfotransferases during glycosaminoglycan sulfation. Has no activity toward 3'-phosphoadenosine 5'-phosphosulfate (PAPS) or inositol phosphate (IP) substrates including I(1)P, I(1,4)P2, I(1,3,4)P3, I(1,4,5)P3 and I(1,3,4,5)P4.

AlphaFold DB , UniProt , Accession A0A0D9RPY1, Species CHLSB (Chlorocebus sabaeus, Green monkey), Gene BPNT2, Length 359 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.9	Very low	68	Low	249 Å²	249	141.5 Å²	141.5	100%	1.227	79%	0.788	S	S	*	*				0	111	0	-72.2	173.5	-174.3	0	0	107.3
2	A	49.2	Very low	69.3	Low	93 Å²	93	131.5 Å²	131.5	77%	0.769	74%	0.742	S	S	*	*			trans	-79.6	143	177.8	0	0	0	0	0	110	M4	A2-M4 PolarHBondContact O-N 3.15Å
3	P	59.4	Low	70.3	Confident	127 Å²	127	127.1 Å²	127.1	83%	0.825	72%	0.719	S	S	*	*			trans	-68.6	127.2	179.4	26.4	-30.8	0	0	0	110.4	G5	P3-G5 PolarHBondContact O-N 2.96Å; P3-G5 VanDerWaalsContact O-N 3.11Å
4	M	57	Low	71.3	Confident	189 Å²	189	121.6 Å²	121.6	93%	0.931	70%	0.698	S	S	*	*			trans	-65	106.7	174.1	-77.7	-177.9	-67.9	0	0	109.8	A2	A2-M4 PolarHBondContact O-N 3.15Å
5	G	61.6	Low	72.2	Confident	64 Å²	64	118.8 Å²	118.8	66%	0.66	68%	0.683	S	S	*	*			trans	-73.5	126.7	167.1	0	0	0	0	0	110.3	P3 R7	P3-G5 PolarHBondContact O-N 2.96Å; P3-G5 VanDerWaalsContact O-N 3.11Å; G5-R7 PolarHBondContact O-N 2.9Å; G5-R7 VanDerWaalsContact O-N 3.16Å
6	I	74.3	Confident	73	Confident	159 Å²	159	120.6 Å²	120.6	82%	0.815	68%	0.681	S	S	*	*			trans	-66.9	111.6	172.1	-59.9	171.3	0	0	0	107.5
7	R	74.9	Confident	73.7	Confident	245 Å²	245	117.9 Å²	117.9	93%	0.925	67%	0.671	S	S	*	*			trans	-89.4	108.8	172.4	-73	-171.4	172	-171.3	-2.1	109	G5	G5-R7 PolarHBondContact O-N 2.9Å; G5-R7 VanDerWaalsContact O-N 3.16Å
8	L	73.3	Confident	74.4	Confident	105 Å²	105	118.1 Å²	118.1	55%	0.55	67%	0.669	S	S	.	*			trans	-74.3	137.1	171.4	-72.6	164.8	0	0	0	109.7	V13	L8-V13 HydrophobicContact CB-CG2 4.03Å
9	S	83.9	Confident	75	Confident	70 Å²	70	117.8 Å²	117.8	49%	0.49	67%	0.665	S	S	.	*			trans	-66.3	160.4	170.4	68.2	0	0	0	0	110.1	L11 G12 V13	S9-L11 PolarHBondContact O-N 3.47Å; S9-L11 VanDerWaalsContact O-N 3.13Å; S9-G12 WeakPolarHBondContact O-CA 3.5Å; S9-G12 PolarHBondContact O-N 3.07Å; S9-G12 PolarHBondContact OG-N 3.4Å; S9-V13 PolarHBondContact O-N 3.04Å; S9-V13 VanDerWaalsContact O-N 3.07Å
10	P	82.7	Confident	75.5	Confident	118 Å²	118	113.7 Å²	113.7	77%	0.766	65%	0.65	S	S	*	*	H	α-helix	trans	-53.7	-34.9	177.3	-27	34.9	0	0	0	113.2	V13 A14	P10-V13 PolarHBondContact O-N 3.09Å; P10-A14 PolarHBondContact O-N 2.99Å
11	L	83.8	Confident	76	Confident	137 Å²	137	113.7 Å²	113.7	72%	0.717	65%	0.647	S	S	*	*	H	α-helix	trans	-66.9	-39.8	174.1	-162.9	78.9	0	0	0	111.9	S9 V13 A14 V15	S9-L11 PolarHBondContact O-N 3.47Å; S9-L11 VanDerWaalsContact O-N 3.13Å; L11-V13 VanDerWaalsContact C-N 3.33Å; L11-V13 PolarHBondContact O-N 3.33Å; L11-A14 PolarHBondContact O-N 2.95Å; L11-V15 WeakPolarHBondContact O-CG2 3.33Å; L11-V15 PolarHBondContact O-N 3.4Å; L11-V15 VanDerWaalsContact O-N 3.08Å
12	G	83.5	Confident	77.6	Confident	22 Å²	22	103.9 Å²	103.9	23%	0.227	61%	0.609	C	S	.	*	H	α-helix	trans	-63	-36.9	176.3	0	0	0	0	0	113	S9 F16	S9-G12 WeakPolarHBondContact O-CA 3.5Å; S9-G12 PolarHBondContact O-N 3.07Å; S9-G12 PolarHBondContact OG-N 3.4Å; G12-F16 WeakPolarHBondContact O-CB 3.36Å; G12-F16 PolarHBondContact O-N 3.1Å; G12-F16 VanDerWaalsContact O-N 3.11Å
13	V	83.2	Confident	79	Confident	74 Å²	74	103.7 Å²	103.7	45%	0.448	60%	0.599	S	S	.	*	H	α-helix	trans	-67.2	-43.2	175.4	179.3	0	0	0	0	111.1	L8 S9 P10 L11 V15 F16 C17	L8-V13 HydrophobicContact CB-CG2 4.03Å; S9-V13 PolarHBondContact O-N 3.04Å; S9-V13 VanDerWaalsContact O-N 3.07Å; P10-V13 PolarHBondContact O-N 3.09Å; L11-V13 VanDerWaalsContact C-N 3.33Å; L11-V13 PolarHBondContact O-N 3.33Å; V13-V15 PolarHBondContact O-N 3.13Å; V13-F16 PolarHBondContact O-N 3.46Å; V13-C17 PolarHBondContact O-N 3.49Å; V13-C17 PolarHBondContact O-SG 3.15Å
14	A	83.8	Confident	79.9	Confident	51 Å²	51	103.1 Å²	103.1	42%	0.421	59%	0.588	S	S	.	*	H	α-helix	trans	-62.4	-43.1	178.7	0	0	0	0	0	112.5	P10 L11 F16 C17 L18	P10-A14 PolarHBondContact O-N 2.99Å; L11-A14 PolarHBondContact O-N 2.95Å; A14-F16 VanDerWaalsContact C-N 3.33Å; A14-F16 PolarHBondContact O-N 3.41Å; A14-C17 PolarHBondContact O-N 2.91Å; A14-L18 PolarHBondContact O-N 2.91Å; A14-L18 VanDerWaalsContact O-N 3.1Å
15	V	85.2	Confident	81.1	Confident	79 Å²	79	102.5 Å²	102.5	48%	0.479	58%	0.577	S	S	.	*	H	α-helix	trans	-62.6	-41	175.7	173.2	0	0	0	0	111.1	L11 V13 C17 L18 L19	L11-V15 WeakPolarHBondContact O-CG2 3.33Å; L11-V15 PolarHBondContact O-N 3.4Å; L11-V15 VanDerWaalsContact O-N 3.08Å; V13-V15 PolarHBondContact O-N 3.13Å; V15-C17 PolarHBondContact O-N 2.91Å; V15-L18 PolarHBondContact O-N 3.12Å; V15-L19 HydrophobicContact CG1-CD1 4.11Å; V15-L19 WeakPolarHBondContact O-CG 3.19Å; V15-L19 PolarHBondContact O-N 2.76Å
16	F	84.9	Confident	81.6	Confident	148 Å²	148	106.2 Å²	106.2	65%	0.649	58%	0.576	S	S	*	*	H	α-helix	trans	-64.6	-41	179.2	-157.9	-91.8	0	0	0	112.4	G12 V13 A14 L19 G20	G12-F16 WeakPolarHBondContact O-CB 3.36Å; G12-F16 PolarHBondContact O-N 3.1Å; G12-F16 VanDerWaalsContact O-N 3.11Å; V13-F16 PolarHBondContact O-N 3.46Å; A14-F16 VanDerWaalsContact C-N 3.33Å; A14-F16 PolarHBondContact O-N 3.41Å; F16-L19 PolarHBondContact O-N 3.01Å; F16-G20 PolarHBondContact O-N 3.4Å
17	C	84.8	Confident	81.4	Confident	75 Å²	75	104.4 Å²	104.4	51%	0.507	57%	0.568	S	S	.	*	H	α-helix	trans	-65.8	-39.1	176.1	-69	0	0	0	0	112.7	V13 A14 V15 G20 L21	V13-C17 PolarHBondContact O-N 3.49Å; V13-C17 PolarHBondContact O-SG 3.15Å; A14-C17 PolarHBondContact O-N 2.91Å; V15-C17 PolarHBondContact O-N 2.91Å; C17-G20 PolarHBondContact O-N 2.64Å; C17-L21 PolarHBondContact O-N 2.91Å
18	L	86.4	Confident	81.1	Confident	121 Å²	121	101 Å²	101	63%	0.634	56%	0.556	S	S	*	*	H	α-helix	trans	-66.5	-39.3	177.1	-76.5	169.2	0	0	0	112.2	A14 V15 G20 L21 G22	A14-L18 PolarHBondContact O-N 2.91Å; A14-L18 VanDerWaalsContact O-N 3.1Å; V15-L18 PolarHBondContact O-N 3.12Å; L18-G20 VanDerWaalsContact C-N 3.33Å; L18-L21 PolarHBondContact O-N 3.32Å; L18-G22 PolarHBondContact O-N 2.86Å
19	L	84.5	Confident	80.9	Confident	113 Å²	113	98.2 Å²	98.2	59%	0.592	55%	0.545	S	S	*	.	H	α-helix	trans	-62.8	-41	173.1	-71.9	170.1	0	0	0	111.5	V15 F16 G22 V23	V15-L19 HydrophobicContact CG1-CD1 4.11Å; V15-L19 WeakPolarHBondContact O-CG 3.19Å; V15-L19 PolarHBondContact O-N 2.76Å; F16-L19 PolarHBondContact O-N 3.01Å; L19-G22 PolarHBondContact O-N 3.48Å; L19-V23 WeakPolarHBondContact O-CG2 3.38Å; L19-V23 PolarHBondContact O-N 3.43Å; L19-V23 VanDerWaalsContact O-N 3.08Å
20	G	85.2	Confident	79.5	Confident	35 Å²	35	97 Å²	97	36%	0.361	54%	0.544	S	S	.	.	H	α-helix	trans	-61.4	-42.9	174.9	0	0	0	0	0	113.4	F16 C17 L18 V23 L24	F16-G20 PolarHBondContact O-N 3.4Å; C17-G20 PolarHBondContact O-N 2.64Å; L18-G20 VanDerWaalsContact C-N 3.33Å; G20-V23 PolarHBondContact O-N 2.95Å; G20-L24 PolarHBondContact O-N 3.23Å
21	L	86.6	Confident	78	Confident	114 Å²	114	100.1 Å²	100.1	60%	0.597	55%	0.546	S	S	*	.	H	α-helix	trans	-64.2	-38.4	175.3	-79.9	164.6	0	0	0	112.3	C17 L18 L24 Y25	C17-L21 PolarHBondContact O-N 2.91Å; L18-L21 PolarHBondContact O-N 3.32Å; L21-L24 PolarHBondContact O-N 3.36Å; L21-Y25 WeakPolarHBondContact O-CB 3.42Å; L21-Y25 PolarHBondContact O-N 2.91Å
22	G	81.6	Confident	76.5	Confident	42 Å²	42	99.8 Å²	99.8	43%	0.433	54%	0.544	S	S	.	.	H	α-helix	trans	-62.1	-41.7	174.6	0	0	0	0	0	113	L18 L19 Y25 H26	L18-G22 PolarHBondContact O-N 2.86Å; L19-G22 PolarHBondContact O-N 3.48Å; G22-Y25 PolarHBondContact O-N 2.92Å; G22-H26 WeakPolarHBondContact O-CB 3.35Å; G22-H26 PolarHBondContact O-N 3.4Å
23	V	79	Confident	74.8	Confident	90 Å²	90	101.8 Å²	101.8	55%	0.545	56%	0.559	S	S	.	*	H	α-helix	trans	-66.3	-43.2	176.7	173.4	0	0	0	0	111.4	L19 G20 H26 L27	L19-V23 WeakPolarHBondContact O-CG2 3.38Å; L19-V23 PolarHBondContact O-N 3.43Å; L19-V23 VanDerWaalsContact O-N 3.08Å; G20-V23 PolarHBondContact O-N 2.95Å; V23-H26 PolarHBondContact O-N 3.15Å; V23-L27 HydrophobicContact CG1-CD1 4.05Å; V23-L27 WeakPolarHBondContact O-CG 3.46Å; V23-L27 PolarHBondContact O-N 3.01Å
24	L	78.9	Confident	72.8	Confident	115 Å²	115	101.6 Å²	101.6	60%	0.602	57%	0.572	S	S	*	*	H	α-helix	trans	-63.8	-41.5	177	-79.2	165.1	0	0	0	112.1	G20 L21 H26 L27 Y28	G20-L24 PolarHBondContact O-N 3.23Å; L21-L24 PolarHBondContact O-N 3.36Å; L24-H26 VanDerWaalsContact C-N 3.34Å; L24-H26 PolarHBondContact O-N 2.87Å; L24-L27 PolarHBondContact O-N 2.75Å; L24-Y28 WeakPolarHBondContact O-CB 3.36Å; L24-Y28 PolarHBondContact O-N 2.82Å
25	Y	80.8	Confident	70.9	Confident	176 Å²	176	110.5 Å²	110.5	69%	0.69	59%	0.594	S	S	*	*	H	α-helix	trans	-62.2	-41.7	173.8	-179.4	-98.3	0	0	0	111.9	L21 G22 L27 Y28 S29	L21-Y25 WeakPolarHBondContact O-CB 3.42Å; L21-Y25 PolarHBondContact O-N 2.91Å; G22-Y25 PolarHBondContact O-N 2.92Å; Y25-L27 VanDerWaalsContact C-N 3.35Å; Y25-L27 PolarHBondContact O-N 3.4Å; Y25-Y28 PolarHBondContact O-N 3.48Å; Y25-S29 WeakPolarHBondContact O-CB 3.46Å; Y25-S29 PolarHBondContact O-N 3.43Å; Y25-S29 PolarHBondContact O-OG 3.01Å; Y25-S29 VanDerWaalsContact O-OG 3.08Å
26	H	71.6	Confident	69.1	Low	141 Å²	141	115.4 Å²	115.4	65%	0.653	61%	0.61	S	S	*	*	H	α-helix	trans	-66.9	-34.1	178.7	-158.3	-36.8	0	0	0	112.8	G22 V23 L24 S29 G30	G22-H26 WeakPolarHBondContact O-CB 3.35Å; G22-H26 PolarHBondContact O-N 3.4Å; V23-H26 PolarHBondContact O-N 3.15Å; L24-H26 VanDerWaalsContact C-N 3.34Å; L24-H26 PolarHBondContact O-N 2.87Å; H26-S29 PolarHBondContact O-OG 3.16Å; H26-G30 PolarHBondContact O-N 2.76Å
27	L	71.3	Confident	66.8	Low	122 Å²	122	114.3 Å²	114.3	64%	0.639	62%	0.621	S	S	*	*	H	α-helix	trans	-71	-38.4	173.4	-71.6	169	0	0	0	111.7	V23 L24 Y25 F31	V23-L27 HydrophobicContact CG1-CD1 4.05Å; V23-L27 WeakPolarHBondContact O-CG 3.46Å; V23-L27 PolarHBondContact O-N 3.01Å; L24-L27 PolarHBondContact O-N 2.75Å; Y25-L27 VanDerWaalsContact C-N 3.35Å; Y25-L27 PolarHBondContact O-N 3.4Å; L27-F31 PolarHBondContact O-N 3.12Å
28	Y	69.2	Low	64.6	Low	173 Å²	173	118.1 Å²	118.1	68%	0.678	64%	0.635	S	S	*	*	H	α-helix	trans	-74.8	-35.2	-179.4	-140.7	-95.5	0	0	0	112.8	L24 Y25 F31 L32	L24-Y28 WeakPolarHBondContact O-CB 3.36Å; L24-Y28 PolarHBondContact O-N 2.82Å; Y25-Y28 PolarHBondContact O-N 3.48Å; Y28-F31 PolarHBondContact O-N 3.14Å; Y28-L32 HydrophobicContact CD1-CD1 4.35Å
29	S	68.3	Low	62	Low	46 Å²	46	121.9 Å²	121.9	32%	0.322	65%	0.646	S	S	.	*	H	α-helix	trans	-71.8	-30.9	174	62.8	0	0	0	0	112.7	Y25 H26 F31 L32 A33	Y25-S29 WeakPolarHBondContact O-CB 3.46Å; Y25-S29 PolarHBondContact O-N 3.43Å; Y25-S29 PolarHBondContact O-OG 3.01Å; Y25-S29 VanDerWaalsContact O-OG 3.08Å; H26-S29 PolarHBondContact O-OG 3.16Å; S29-F31 VanDerWaalsContact C-N 3.32Å; S29-F31 PolarHBondContact O-N 2.95Å; S29-L32 PolarHBondContact O-N 2.93Å; S29-A33 PolarHBondContact O-N 2.85Å
30	G	53.4	Low	59.4	Low	46 Å²	46	119.6 Å²	119.6	47%	0.474	65%	0.65	S	S	.	*	H	α-helix	trans	-63.9	-32.2	172	0	0	0	0	0	113.9	H26 L32	H26-G30 PolarHBondContact O-N 2.76Å; G30-L32 VanDerWaalsContact C-N 3.33Å
31	F	53	Low	56.9	Low	183 Å²	183	125.9 Å²	125.9	80%	0.803	68%	0.675	S	S	*	*	H	α-helix	trans	-73	-25.3	175.5	-164.3	-100.1	0	0	0	112.9	L27 Y28 S29	L27-F31 PolarHBondContact O-N 3.12Å; Y28-F31 PolarHBondContact O-N 3.14Å; S29-F31 VanDerWaalsContact C-N 3.32Å; S29-F31 PolarHBondContact O-N 2.95Å
32	L	50.9	Low	54.2	Low	129 Å²	129	126.1 Å²	126.1	68%	0.675	69%	0.686	S	S	*	*	H	α-helix	trans	-87	-19.7	177	-89.3	141.6	0	0	0	113.9	Y28 S29 G30	Y28-L32 HydrophobicContact CD1-CD1 4.35Å; S29-L32 PolarHBondContact O-N 2.93Å; G30-L32 VanDerWaalsContact C-N 3.33Å
33	A	49.2	Very low	51.9	Low	64 Å²	64	129.2 Å²	129.2	53%	0.529	70%	0.701	S	S	.	*	H	α-helix	trans	-91.9	-16.6	-179.2	0	0	0	0	0	115	S29 R35 F36	S29-A33 PolarHBondContact O-N 2.85Å; A33-R35 PolarHBondContact O-N 3.44Å; A33-R35 VanDerWaalsContact O-N 3.13Å; A33-F36 PolarHBondContact O-N 3.4Å
34	G	39.3	Very low	49.8	Very low	70 Å²	70	133.7 Å²	133.7	72%	0.722	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	-0.7	-178.5	0	0	0	0	0	116.1	F36	G34-F36 VanDerWaalsContact C-N 3.28Å
35	R	45.5	Very low	48.2	Very low	238 Å²	238	133.6 Å²	133.6	90%	0.898	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	8.9	168.3	-92.4	-170.6	162.5	-173.3	-4.1	114	A33	A33-R35 PolarHBondContact O-N 3.44Å; A33-R35 VanDerWaalsContact O-N 3.13Å
36	F	46.2	Very low	45.7	Very low	182 Å²	182	128.8 Å²	128.8	80%	0.798	73%	0.727	S	S	*	*			trans	-129.1	85.4	175.2	-84.1	-86	0	0	0	111.3	A33 G34	A33-F36 PolarHBondContact O-N 3.4Å; G34-F36 VanDerWaalsContact C-N 3.28Å
37	S	37.6	Very low	44.3	Very low	126 Å²	126	126.6 Å²	126.6	88%	0.881	74%	0.742	S	S	*	*			trans	-166	71.1	151.7	-79	0	0	0	0	109.5
38	L	37.8	Very low	42.2	Very low	154 Å²	154	124.2 Å²	124.2	81%	0.806	75%	0.747	S	S	*	*			trans	-67.5	143.7	145.1	-136.7	101.5	0	0	0	107
39	F	32.8	Very low	40.5	Very low	200 Å²	200	120.8 Å²	120.8	88%	0.877	75%	0.754	S	S	*	*			trans	114.8	114.2	165.9	-81.4	-92.9	0	0	0	117.3
40	G	28.7	Very low	38.7	Very low	65 Å²	65	123.4 Å²	123.4	67%	0.67	78%	0.779	S	S	*	*				122.5	91.9	127.1	0	0	0	0	0	118.6
41	L	33.8	Very low	37.7	Very low	168 Å²	168	124 Å²	124	88%	0.88	78%	0.784	S	S	*	*			trans	61	116.6	135.3	-65.5	155.6	0	0	0	119.9
42	S	29.8	Very low	36.8	Very low	119 Å²	119	121.2 Å²	121.2	83%	0.832	79%	0.785	S	S	*	*				171.1	154.2	94.5	45.3	0	0	0	0	113
43	S	33.1	Very low	36.1	Very low	107 Å²	107	119.6 Å²	119.6	75%	0.748	79%	0.79	S	S	*	*			trans	-64.7	144.7	-171.1	47.5	0	0	0	0	118
44	E	34.7	Very low	35.5	Very low	183 Å²	183	121.2 Å²	121.2	86%	0.855	80%	0.804	S	S	*	*				168.4	159.2	117.1	-88.6	-105.8	121.3	0	0	111.9
45	P	45.1	Very low	35.3	Very low	113 Å²	113	122.1 Å²	122.1	73%	0.734	80%	0.804	S	S	*	*			trans	-104.4	141.2	-150.5	37.4	-29.7	0	0	0	114
46	G	29.2	Very low	35.2	Very low	76 Å²	76	115.2 Å²	115.2	78%	0.784	80%	0.798	S	S	*	*			trans	-159.6	110	171.9	0	0	0	0	0	111	G48	G46-G48 PolarHBondContact O-N 3.49Å
47	G	41.2	Very low	35.2	Very low	95 Å²	95	114.1 Å²	114.1	98%	0.979	80%	0.801	S	S	*	*			trans	-59.2	130.6	-179.2	0	0	0	0	0	112.6
48	G	28.3	Very low	36.2	Very low	72 Å²	72	110.2 Å²	110.2	74%	0.742	78%	0.78	S	S	*	*			trans	-165.6	119.5	172.2	0	0	0	0	0	108.2	G46 A50	G46-G48 PolarHBondContact O-N 3.49Å; G48-A50 PolarHBondContact O-N 2.88Å
49	A	32.4	Very low	38.7	Very low	101 Å²	101	104.2 Å²	104.2	84%	0.835	76%	0.756	S	S	*	*			trans	-26	120.3	-174.8	0	0	0	0	0	115.3	G51	A49-G51 VanDerWaalsContact C-N 3.33Å; A49-G51 PolarHBondContact O-N 2.98Å
50	A	31.7	Very low	41.6	Very low	101 Å²	101	98.8 Å²	98.8	84%	0.835	74%	0.739	S	S	*	*			trans	-59.7	100	158.1	0	0	0	0	0	107.7	G48	G48-A50 PolarHBondContact O-N 2.88Å
51	G	31.7	Very low	44.9	Very low	57 Å²	57	95.8 Å²	95.8	59%	0.588	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-56.5	137.8	153.9	0	0	0	0	0	107	A49 A53	A49-G51 VanDerWaalsContact C-N 3.33Å; A49-G51 PolarHBondContact O-N 2.98Å; G51-A53 PolarHBondContact O-N 3.34Å
52	P	33.8	Very low	47.9	Very low	126 Å²	126	88.8 Å²	88.8	82%	0.818	67%	0.671	S	S	*	*	P	Polyproline II helix	trans	-58.3	116.1	177.9	24.2	-29.6	0	0	0	106.9	A54	P52-A54 PolarHBondContact O-N 2.95Å
53	A	35.9	Very low	51.1	Low	94 Å²	94	83.1 Å²	83.1	78%	0.777	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-50	116.5	152.1	0	0	0	0	0	104.1	G51 A55	G51-A53 PolarHBondContact O-N 3.34Å; A53-A55 VanDerWaalsContact C-N 3.29Å; A53-A55 PolarHBondContact O-N 3.23Å
54	A	36.5	Very low	54.1	Low	99 Å²	99	80.2 Å²	80.2	82%	0.818	60%	0.604	S	S	*	*			trans	-53.1	103	177.9	0	0	0	0	0	106.5	P52 A56	P52-A54 PolarHBondContact O-N 2.95Å; A54-A56 PolarHBondContact O-N 3.22Å
55	A	34.8	Very low	57.1	Low	88 Å²	88	74.2 Å²	74.2	73%	0.727	58%	0.576	S	S	*	*			trans	-54.1	117.4	162.8	0	0	0	0	0	103.6	A53 D57	A53-A55 VanDerWaalsContact C-N 3.29Å; A53-A55 PolarHBondContact O-N 3.23Å; A55-D57 PolarHBondContact O-N 3.32Å
56	A	43.4	Very low	59.6	Low	94 Å²	94	68.9 Å²	68.9	78%	0.777	54%	0.541	S	S	*	.			trans	-48.7	118.6	157.4	0	0	0	0	0	104.4	A54 G58	A54-A56 PolarHBondContact O-N 3.22Å; A56-G58 PolarHBondContact O-N 3.36Å
57	D	46.6	Very low	62.9	Low	159 Å²	159	65.3 Å²	65.3	85%	0.85	50%	0.504	S	S	*	.			trans	-64.3	85.5	177.1	-170.1	22.6	0	0	0	106.2	A55 G59	A55-D57 PolarHBondContact O-N 3.32Å; D57-G59 PolarHBondContact O-N 3.07Å
58	G	59.9	Low	65.7	Low	43 Å²	43	60.9 Å²	60.9	44%	0.443	46%	0.459	S	S	.	.			trans	-75.5	75.2	-174.3	0	0	0	0	0	107.7	A56	A56-G58 PolarHBondContact O-N 3.36Å
59	G	88.4	Confident	69	Low	29 Å²	29	57.5 Å²	57.5	30%	0.299	42%	0.423	S	S	.	.			trans	-56.1	152.7	178.3	0	0	0	0	0	111.2	D57 A166	D57-G59 PolarHBondContact O-N 3.07Å; G59-A166 WeakPolarHBondContact O-CB 3.14Å; G59-A166 PolarHBondContact O-N 3.24Å
60	T	95.2	Very high	72.2	Confident	85 Å²	85	52.7 Å²	52.7	52%	0.521	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	157.4	172.6	54.5	0	0	0	0	111	E163 V164	T60-E163 PolarHBondContact OG1-OE1 3.27Å; T60-V164 CarbonylContact C-O 3.46Å; T60-V164 WeakPolarHBondContact CA-O 3.5Å
61	V	96.6	Very high	75.3	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.012	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	121.6	172.1	172.8	0	0	0	0	108	L63 M66 F125 V128 E163 V164 A166 V169	V61-L63 PolarHBondContact O-N 3.44Å; V61-M66 HydrophobicContact CG1-CB 4.01Å; V61-M66 HydrophobicContact CG1-CE 3.57Å; V61-M66 HydrophobicContact CG1-CG 4.49Å; V61-F125 HydrophobicContact CG1-CD1 4.13Å; V61-F125 HydrophobicContact CG1-CE1 3.93Å; V61-F125 HydrophobicContact CG2-CD1 4.15Å; V61-V128 HydrophobicContact CG2-CG2 3.62Å; V61-E163 WeakPolarHBondContact O-CA 3.15Å; V61-V164 HydrophobicContact CB-CG2 4.27Å; V61-V164 PolarHBondContact N-O 3.04Å; V61-V164 PolarHBondContact O-N 2.82Å; V61-A166 HydrophobicContact CG2-CB 3.86Å; V61-V169 HydrophobicContact CB-CG2 4.43Å; V61-V169 HydrophobicContact CG2-CG2 4.44Å
62	D	96.8	Very high	78.5	Confident	21 Å²	21	48.3 Å²	48.3	11%	0.112	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	115.7	165.2	-178.2	5	0	0	0	109.3	R64 E65 M66 K162	D62-R64 PolarHBondContact O-N 3.23Å; D62-R64 WeakPolarHBondContact OD1-CB 3.3Å; D62-R64 PolarHBondContact OD1-N 3.45Å; D62-E65 HydrophobicContact CB-CB 4.17Å; D62-E65 HydrophobicContact CB-CG 4.17Å; D62-E65 PolarHBondContact O-N 3.07Å; D62-M66 PolarHBondContact O-N 3.36Å; D62-K162 PolarHBondContact OD1-N 2.86Å; D62-K162 VanDerWaalsContact OD1-N 3.12Å
63	L	97.7	Very high	81.6	Confident	1 Å²	1	42.3 Å²	42.3	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-62.9	-23.3	179.1	-67.8	178.4	0	0	0	113.2	V61 L67 K162 V164 V196 V198 V203 L204 M219	V61-L63 PolarHBondContact O-N 3.44Å; L63-L67 WeakPolarHBondContact O-CB 3.49Å; L63-L67 PolarHBondContact O-N 2.95Å; L63-K162 HydrophobicContact CB-CB 4.46Å; L63-K162 HydrophobicContact CD1-CB 4.36Å; L63-K162 HydrophobicContact CD1-CD 4Å; L63-K162 HydrophobicContact CD1-CG 4.07Å; L63-K162 WeakPolarHBondContact CG-O 3.39Å; L63-K162 PolarHBondContact N-O 3.42Å; L63-V164 HydrophobicContact CD1-CG1 3.93Å; L63-V164 HydrophobicContact CD1-CG2 4.47Å; L63-V164 HydrophobicContact CD2-CG2 3.86Å; L63-V164 HydrophobicContact CG-CG1 4.31Å; L63-V164 HydrophobicContact CG-CG2 4.07Å; L63-V196 HydrophobicContact CD2-CG1 4.49Å; L63-V198 HydrophobicContact CD1-CG2 4.49Å; L63-V198 HydrophobicContact CD2-CG2 4.18Å; L63-V203 HydrophobicContact CD1-CG1 3.93Å; L63-L204 HydrophobicContact CB-CD1 4.43Å; L63-L204 HydrophobicContact CD2-CD1 4.22Å; L63-L204 WeakPolarHBondContact O-CD1 3.4Å; L63-M219 HydrophobicContact CB-CE 3.63Å; L63-M219 HydrophobicContact CB-SD 4.4Å; L63-M219 HydrophobicContact CD1-CE 3.93Å; L63-M219 HydrophobicContact CG-CE 4.46Å
64	R	96.9	Very high	84.6	Confident	45 Å²	45	37.9 Å²	37.9	17%	0.17	26%	0.257	C	S	.	.	H	α-helix	trans	-72.4	-42.6	175.2	-170.8	176.7	63.6	175.8	3.8	111.7	D62 L67 A68 I150 I154 V158 T159	D62-R64 PolarHBondContact O-N 3.23Å; D62-R64 WeakPolarHBondContact OD1-CB 3.3Å; D62-R64 PolarHBondContact OD1-N 3.45Å; R64-L67 PolarHBondContact O-N 3.38Å; R64-A68 PolarHBondContact O-N 2.74Å; R64-I150 HydrophobicContact CG-CD1 4.16Å; R64-I150 HydrophobicContact CG-CG2 4.45Å; R64-I154 HydrophobicContact CG-CG2 4.09Å; R64-V158 HydrophobicContact CB-CG1 4.11Å; R64-V158 WeakPolarHBondContact CD-O 3.49Å; R64-V158 HydrophobicContact CG-CB 4.18Å; R64-V158 HydrophobicContact CG-CG1 3.87Å; R64-T159 PolarHBondContact NH1-O 2.69Å
65	E	97.2	Very high	87.6	Confident	58 Å²	58	35 Å²	35	27%	0.271	23%	0.23	S	C	.	.	H	α-helix	trans	-63.1	-46.9	171.7	-75.4	-159.5	-179.7	0	0	111.2	D62 L67 A68 V69 F125 W146 H148 I150	D62-E65 HydrophobicContact CB-CB 4.17Å; D62-E65 HydrophobicContact CB-CG 4.17Å; D62-E65 PolarHBondContact O-N 3.07Å; E65-L67 VanDerWaalsContact C-N 3.28Å; E65-L67 PolarHBondContact O-N 2.86Å; E65-A68 WeakPolarHBondContact O-CB 3.39Å; E65-A68 PolarHBondContact O-N 2.79Å; E65-A68 VanDerWaalsContact O-N 3.08Å; E65-V69 WeakPolarHBondContact O-CG2 3.21Å; E65-V69 PolarHBondContact O-N 3.46Å; E65-F125 HydrophobicContact CB-CZ 4.27Å; E65-W146 HydrophobicContact CB-CH2 3.52Å; E65-W146 HydrophobicContact CB-CZ3 4.01Å; E65-W146 HydrophobicContact CG-CH2 3.73Å; E65-W146 HydrophobicContact CG-CZ3 4.35Å; E65-W146 WeakPolarHBondContact OE2-CZ3 3.31Å; E65-H148 IonicContact OE2-ND1 3.33Å; E65-I150 HydrophobicContact CG-CD1 3.95Å; E65-I150 HydrophobicContact CG-CG1 4.5Å
66	M	98.1	Very high	90.6	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-58.1	-39.5	176.7	-179	66.8	74.6	0	0	112.1	V61 D62 V69 S70 L121 F125 V128 V169 V171 V196 L204	V61-M66 HydrophobicContact CG1-CB 4.01Å; V61-M66 HydrophobicContact CG1-CE 3.57Å; V61-M66 HydrophobicContact CG1-CG 4.49Å; D62-M66 PolarHBondContact O-N 3.36Å; M66-V69 PolarHBondContact O-N 2.86Å; M66-S70 VanDerWaalsContact O-CB 3.26Å; M66-S70 WeakPolarHBondContact O-CB 3.25Å; M66-S70 PolarHBondContact O-N 2.98Å; M66-S70 PolarHBondContact O-OG 2.75Å; M66-L121 HydrophobicContact SD-CD2 4.18Å; M66-F125 HydrophobicContact CB-CE2 4.2Å; M66-F125 HydrophobicContact CB-CZ 4.01Å; M66-F125 HydrophobicContact CE-CB 3.97Å; M66-F125 HydrophobicContact CE-CD1 3.75Å; M66-F125 HydrophobicContact CE-CD2 3.31Å; M66-F125 HydrophobicContact CE-CE1 4.04Å; M66-F125 HydrophobicContact CE-CE2 3.64Å; M66-F125 HydrophobicContact CE-CG 3.37Å; M66-F125 HydrophobicContact CE-CZ 3.99Å; M66-F125 HydrophobicContact CG-CE2 4.49Å; M66-F125 HydrophobicContact SD-CD2 3.59Å; M66-F125 VanDerWaalsContact SD-CD2 3.59Å; M66-F125 HydrophobicContact SD-CE2 3.55Å; M66-F125 VanDerWaalsContact SD-CE2 3.55Å; M66-F125 HydrophobicContact SD-CG 4.28Å; M66-F125 HydrophobicContact SD-CZ 4.22Å; M66-V128 HydrophobicContact CE-CG1 4.33Å; M66-V128 HydrophobicContact CE-CG2 4.08Å; M66-V169 HydrophobicContact CE-CG1 4.41Å; M66-V171 HydrophobicContact CE-CG2 4.47Å; M66-V171 HydrophobicContact SD-CG2 4.26Å; M66-V196 HydrophobicContact CG-CG1 4.19Å; M66-V196 HydrophobicContact CG-CG2 3.73Å; M66-V196 HydrophobicContact SD-CG2 4.26Å; M66-L204 HydrophobicContact CB-CD1 4.06Å; M66-L204 HydrophobicContact CG-CD1 3.84Å
67	L	98.6	Very high	93.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.5	-45.8	174.3	177.1	60.9	0	0	0	111.6	L63 R64 E65 V69 S70 V71 I154 V158 L204 V206 W217 M219	L63-L67 WeakPolarHBondContact O-CB 3.49Å; L63-L67 PolarHBondContact O-N 2.95Å; R64-L67 PolarHBondContact O-N 3.38Å; E65-L67 VanDerWaalsContact C-N 3.28Å; E65-L67 PolarHBondContact O-N 2.86Å; L67-V69 PolarHBondContact O-N 2.76Å; L67-S70 PolarHBondContact O-N 2.83Å; L67-V71 HydrophobicContact CD1-CG2 4.37Å; L67-V71 WeakPolarHBondContact O-CG2 3.25Å; L67-V71 PolarHBondContact O-N 2.61Å; L67-I154 HydrophobicContact CD2-CG1 4.34Å; L67-I154 HydrophobicContact CD2-CG2 3.96Å; L67-I154 HydrophobicContact CG-CD1 4.23Å; L67-I154 HydrophobicContact CG-CG2 4.48Å; L67-V158 HydrophobicContact CD2-CG2 4.05Å; L67-L204 HydrophobicContact CB-CD1 4.1Å; L67-L204 HydrophobicContact CB-CD2 4.39Å; L67-V206 HydrophobicContact CD1-CG2 4.16Å; L67-W217 HydrophobicContact CD1-CB 4.19Å; L67-W217 HydrophobicContact CD1-CE3 4.29Å; L67-W217 HydrophobicContact CD2-CD2 4.46Å; L67-W217 HydrophobicContact CD2-CE3 3.75Å; L67-W217 HydrophobicContact CD2-CZ3 3.9Å; L67-W217 HydrophobicContact CG-CE3 4.48Å; L67-M219 HydrophobicContact CD2-CB 4.33Å
68	A	98.4	Very high	95.7	Very high	3 Å²	3	23 Å²	23	3%	0.025	13%	0.134	C	C	.	.	H	α-helix	trans	-60.3	-45.7	178	0	0	0	0	0	112.1	R64 E65 S70 V71 L72 W146 I150 I154	R64-A68 PolarHBondContact O-N 2.74Å; E65-A68 WeakPolarHBondContact O-CB 3.39Å; E65-A68 PolarHBondContact O-N 2.79Å; E65-A68 VanDerWaalsContact O-N 3.08Å; A68-S70 VanDerWaalsContact C-N 3.35Å; A68-V71 PolarHBondContact O-N 3.27Å; A68-L72 PolarHBondContact O-N 3.22Å; A68-W146 HydrophobicContact CB-CZ2 4.13Å; A68-I150 HydrophobicContact CB-CB 4.44Å; A68-I150 HydrophobicContact CB-CG1 4.32Å; A68-I150 HydrophobicContact CB-CG2 4.18Å; A68-I154 HydrophobicContact CB-CD1 4.16Å
69	V	98.4	Very high	97.5	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-66.4	-37.8	176.5	-176.5	0	0	0	0	111.5	E65 M66 L67 L72 A73 L120 L121 A124 F125 W146	E65-V69 WeakPolarHBondContact O-CG2 3.21Å; E65-V69 PolarHBondContact O-N 3.46Å; M66-V69 PolarHBondContact O-N 2.86Å; L67-V69 PolarHBondContact O-N 2.76Å; V69-L72 PolarHBondContact O-N 3.02Å; V69-A73 VanDerWaalsContact O-CB 3.31Å; V69-A73 WeakPolarHBondContact O-CB 3.46Å; V69-A73 PolarHBondContact O-N 2.88Å; V69-L120 HydrophobicContact CG1-CD1 4.38Å; V69-L120 HydrophobicContact CG1-CD2 4.43Å; V69-L120 HydrophobicContact CG1-CG 3.98Å; V69-L121 HydrophobicContact CB-CD2 4.38Å; V69-L121 HydrophobicContact CG1-CD2 3.75Å; V69-L121 HydrophobicContact CG1-CG 4.31Å; V69-A124 HydrophobicContact CG1-CB 3.92Å; V69-A124 HydrophobicContact CG2-CB 4.14Å; V69-F125 HydrophobicContact CB-CE2 4.06Å; V69-F125 HydrophobicContact CG1-CE2 4.41Å; V69-F125 HydrophobicContact CG2-CE2 3.88Å; V69-F125 HydrophobicContact CG2-CZ 4.44Å; V69-W146 HydrophobicContact CG2-CD2 3.23Å; V69-W146 HydrophobicContact CG2-CE3 3.28Å; V69-W146 HydrophobicContact CG2-CG 3.9Å; V69-W146 HydrophobicContact CG2-CH2 3.69Å; V69-W146 HydrophobicContact CG2-CZ2 3.63Å; V69-W146 HydrophobicContact CG2-CZ3 3.5Å
70	S	98.8	Very high	98	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.007	12%	0.115	C	C	.	.	H	α-helix	trans	-63.4	-41.4	177.3	-62.5	0	0	0	0	111.9	M66 L67 A68 A73 A74	M66-S70 VanDerWaalsContact O-CB 3.26Å; M66-S70 WeakPolarHBondContact O-CB 3.25Å; M66-S70 PolarHBondContact O-N 2.98Å; M66-S70 PolarHBondContact O-OG 2.75Å; L67-S70 PolarHBondContact O-N 2.83Å; A68-S70 VanDerWaalsContact C-N 3.35Å; S70-A73 PolarHBondContact O-N 3.08Å; S70-A74 PolarHBondContact O-N 3.24Å
71	V	98.8	Very high	98.1	Very high	20 Å²	20	18.8 Å²	18.8	12%	0.121	9%	0.091	C	C	.	.	H	α-helix	trans	-61.9	-48.2	172.7	168.6	0	0	0	0	110.7	L67 A68 A73 A74 V75 I154 V206 T215 W217	L67-V71 HydrophobicContact CD1-CG2 4.37Å; L67-V71 WeakPolarHBondContact O-CG2 3.25Å; L67-V71 PolarHBondContact O-N 2.61Å; A68-V71 PolarHBondContact O-N 3.27Å; V71-A73 VanDerWaalsContact C-N 3.32Å; V71-A73 PolarHBondContact O-N 3.37Å; V71-A74 PolarHBondContact O-N 2.81Å; V71-V75 WeakPolarHBondContact O-CG2 3.3Å; V71-V75 PolarHBondContact O-N 3.22Å; V71-I154 HydrophobicContact CG2-CD1 4.25Å; V71-V206 HydrophobicContact CG2-CG1 4.16Å; V71-V206 HydrophobicContact CG2-CG2 3.86Å; V71-T215 HydrophobicContact CG1-CG2 4.3Å; V71-W217 HydrophobicContact CG2-CB 4Å; V71-W217 HydrophobicContact CG2-CG 3.96Å
72	L	98.5	Very high	98.2	Very high	46 Å²	46	20.4 Å²	20.4	24%	0.241	10%	0.096	C	C	.	.	H	α-helix	trans	-61.7	-40	178.8	-176.4	61	0	0	0	112.3	A68 V69 R76 L120	A68-L72 PolarHBondContact O-N 3.22Å; V69-L72 PolarHBondContact O-N 3.02Å; L72-R76 HydrophobicContact CD1-CG 4.22Å; L72-R76 WeakPolarHBondContact O-CB 3.23Å; L72-R76 WeakPolarHBondContact O-CG 3.28Å; L72-R76 PolarHBondContact O-N 3.45Å; L72-L120 HydrophobicContact CB-CD2 4.13Å; L72-L120 HydrophobicContact CD2-CD1 4.41Å; L72-L120 HydrophobicContact CD2-CD2 3.94Å; L72-L120 HydrophobicContact CG-CD2 3.74Å
73	A	98.7	Very high	98.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.3	-52.9	176.4	0	0	0	0	0	111.1	V69 S70 V71 V75 R76 G77 M117 L120 L121 V194	V69-A73 VanDerWaalsContact O-CB 3.31Å; V69-A73 WeakPolarHBondContact O-CB 3.46Å; V69-A73 PolarHBondContact O-N 2.88Å; S70-A73 PolarHBondContact O-N 3.08Å; V71-A73 VanDerWaalsContact C-N 3.32Å; V71-A73 PolarHBondContact O-N 3.37Å; A73-V75 VanDerWaalsContact C-N 3.31Å; A73-V75 PolarHBondContact O-N 2.84Å; A73-R76 PolarHBondContact O-N 3.24Å; A73-G77 PolarHBondContact O-N 2.85Å; A73-M117 HydrophobicContact CB-CB 4.39Å; A73-M117 HydrophobicContact CB-CG 4.37Å; A73-M117 VanDerWaalsContact O-CG 3.26Å; A73-M117 WeakPolarHBondContact O-CG 3.45Å; A73-L120 HydrophobicContact CB-CD2 4Å; A73-L121 HydrophobicContact CB-CD1 3.94Å; A73-L121 HydrophobicContact CB-CG 4.05Å; A73-V194 HydrophobicContact CB-CG2 4.26Å
74	A	98.8	Very high	98.2	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-57.3	-43.2	179	0	0	0	0	0	112.2	S70 V71 G78 T192 V194 V206 H208	S70-A74 PolarHBondContact O-N 3.24Å; V71-A74 PolarHBondContact O-N 2.81Å; A74-G78 PolarHBondContact O-N 2.87Å; A74-T192 PolarHBondContact O-OG1 3.1Å; A74-V194 HydrophobicContact CB-CG2 4.26Å; A74-V206 HydrophobicContact CB-CG1 3.6Å; A74-H208 HydrophobicContact CB-CB 3.82Å
75	V	98.8	Very high	98.2	Very high	40 Å²	40	24.4 Å²	24.4	24%	0.242	11%	0.111	C	C	.	.	H	α-helix	trans	-63.6	-50.5	177	172.9	0	0	0	0	111.4	V71 A73 G77 G78 D79	V71-V75 WeakPolarHBondContact O-CG2 3.3Å; V71-V75 PolarHBondContact O-N 3.22Å; A73-V75 VanDerWaalsContact C-N 3.31Å; A73-V75 PolarHBondContact O-N 2.84Å; V75-G77 PolarHBondContact O-N 2.87Å; V75-G78 CarbonylContact O-C 3.6Å; V75-G78 WeakPolarHBondContact O-CA 3.09Å; V75-G78 PolarHBondContact O-N 3.04Å; V75-G78 VanDerWaalsContact O-N 3.08Å; V75-D79 PolarHBondContact O-N 3.45Å
76	R	98.1	Very high	98	Very high	89 Å²	89	27.2 Å²	27.2	34%	0.336	12%	0.124	S	C	.	.	H	α-helix	trans	-64.1	-38.4	-179.5	-74	-176.5	178.7	-179.2	2.7	112.8	L72 A73 G78 D79 E80	L72-R76 HydrophobicContact CD1-CG 4.22Å; L72-R76 WeakPolarHBondContact O-CB 3.23Å; L72-R76 WeakPolarHBondContact O-CG 3.28Å; L72-R76 PolarHBondContact O-N 3.45Å; A73-R76 PolarHBondContact O-N 3.24Å; R76-G78 VanDerWaalsContact C-N 3.34Å; R76-D79 PolarHBondContact O-N 3.2Å; R76-E80 PolarHBondContact O-N 2.96Å
77	G	98.4	Very high	97.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-61.9	-44.5	171.2	0	0	0	0	0	111.3	A73 V75 D79 E80 V81 S113	A73-G77 PolarHBondContact O-N 2.85Å; V75-G77 PolarHBondContact O-N 2.87Å; G77-D79 VanDerWaalsContact C-N 3.3Å; G77-D79 PolarHBondContact O-N 3.31Å; G77-E80 WeakPolarHBondContact O-CB 3.14Å; G77-E80 PolarHBondContact O-N 3.12Å; G77-E80 VanDerWaalsContact O-N 3.08Å; G77-V81 WeakPolarHBondContact O-CG2 3.38Å; G77-V81 PolarHBondContact O-N 2.79Å; G77-S113 VanDerWaalsContact C-OG 3.26Å; G77-S113 WeakPolarHBondContact CA-OG 3.21Å; G77-S113 PolarHBondContact O-OG 2.67Å
78	G	98.7	Very high	97.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-58.3	-38	174.8	0	0	0	0	0	113.7	A74 V75 R76 E80 V81 R82	A74-G78 PolarHBondContact O-N 2.87Å; V75-G78 CarbonylContact O-C 3.6Å; V75-G78 WeakPolarHBondContact O-CA 3.09Å; V75-G78 PolarHBondContact O-N 3.04Å; V75-G78 VanDerWaalsContact O-N 3.08Å; R76-G78 VanDerWaalsContact C-N 3.34Å; G78-E80 VanDerWaalsContact C-N 3.33Å; G78-E80 PolarHBondContact O-N 2.95Å; G78-V81 PolarHBondContact O-N 2.97Å; G78-R82 WeakPolarHBondContact O-CB 3.45Å; G78-R82 PolarHBondContact O-N 2.84Å
79	D	98.6	Very high	96.7	Very high	57 Å²	57	39.5 Å²	39.5	31%	0.305	20%	0.197	S	C	.	.	H	α-helix	trans	-64.2	-36.4	175.3	-67.7	-29.6	0	0	0	112.3	V75 R76 G77 R82 R83	V75-D79 PolarHBondContact O-N 3.45Å; R76-D79 PolarHBondContact O-N 3.2Å; G77-D79 VanDerWaalsContact C-N 3.3Å; G77-D79 PolarHBondContact O-N 3.31Å; D79-R82 IonicContact OD1-CZ 3.01Å; D79-R82 IonicContact OD1-NH1 3.2Å; D79-R82 PolarHBondContact OD1-NH1 3.42Å; D79-R82 IonicContact OD1-NH2 2.88Å; D79-R82 PolarHBondContact OD1-NH2 3.29Å; D79-R83 VanDerWaalsContact O-CB 3.29Å; D79-R83 WeakPolarHBondContact O-CB 3.24Å; D79-R83 PolarHBondContact O-N 3.06Å
80	E	97.9	Very high	96.1	Very high	11 Å²	11	40.8 Å²	40.8	5%	0.051	20%	0.204	C	C	.	.	H	α-helix	trans	-65.2	-47.9	171.7	-61.4	-68.3	147.8	0	0	111	R76 G77 G78 R82 R83 V84 L112 K116	R76-E80 PolarHBondContact O-N 2.96Å; G77-E80 WeakPolarHBondContact O-CB 3.14Å; G77-E80 PolarHBondContact O-N 3.12Å; G77-E80 VanDerWaalsContact O-N 3.08Å; G78-E80 VanDerWaalsContact C-N 3.33Å; G78-E80 PolarHBondContact O-N 2.95Å; E80-R82 VanDerWaalsContact C-N 3.32Å; E80-R82 PolarHBondContact O-N 3.45Å; E80-R83 VanDerWaalsContact CD-CZ 3.45Å; E80-R83 PolarHBondContact O-N 3.23Å; E80-R83 IonicContact OE1-CZ 3.49Å; E80-R83 IonicContact OE1-NH1 3.06Å; E80-R83 PolarHBondContact OE1-NH1 2.72Å; E80-R83 IonicContact OE1-NH2 3.14Å; E80-R83 PolarHBondContact OE1-NH2 3.13Å; E80-R83 IonicContact OE2-CZ 2.75Å; E80-R83 IonicContact OE2-NH1 3.61Å; E80-R83 PolarHBondContact OE2-NH1 2.98Å; E80-R83 IonicContact OE2-NH2 3.19Å; E80-R83 PolarHBondContact OE2-NH2 3.16Å; E80-V84 WeakPolarHBondContact O-CG2 3.2Å; E80-V84 PolarHBondContact O-N 2.65Å; E80-L112 HydrophobicContact CB-CB 4.05Å; E80-L112 HydrophobicContact CG-CB 4.27Å; E80-K116 HydrophobicContact CG-CB 4.35Å; E80-K116 HydrophobicContact CG-CG 3.51Å; E80-K116 WeakPolarHBondContact OE1-CE 2.96Å
81	V	98.3	Very high	95.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.1	-47.3	176.7	174.1	0	0	0	0	110.8	G77 G78 R85 L176 Y182 V190 T192 P210 F211	G77-V81 WeakPolarHBondContact O-CG2 3.38Å; G77-V81 PolarHBondContact O-N 2.79Å; G78-V81 PolarHBondContact O-N 2.97Å; V81-R85 PolarHBondContact O-N 3.2Å; V81-R85 VanDerWaalsContact O-N 3.12Å; V81-L176 HydrophobicContact CG1-CD1 3.99Å; V81-L176 HydrophobicContact CG1-CG 4.06Å; V81-L176 HydrophobicContact CG2-CB 4.22Å; V81-L176 HydrophobicContact CG2-CD1 3.99Å; V81-L176 HydrophobicContact CG2-CG 3.95Å; V81-Y182 HydrophobicContact CG1-CD2 3.98Å; V81-Y182 HydrophobicContact CG1-CE2 3.51Å; V81-Y182 PolarHBondContact O-OH 3.24Å; V81-Y182 VanDerWaalsContact O-OH 3.06Å; V81-V190 HydrophobicContact CG1-CG1 3.8Å; V81-T192 HydrophobicContact CG2-CG2 3.95Å; V81-P210 HydrophobicContact CB-CG 4.43Å; V81-P210 HydrophobicContact CG1-CG 4.35Å; V81-F211 HydrophobicContact CG1-CE2 4.43Å
82	R	98.1	Very high	95.2	Very high	35 Å²	35	50 Å²	50	13%	0.132	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-49.3	178.3	-166.9	-171.4	-53.8	112.4	7.5	111	G78 D79 E80 V84 R85 E86 P210 F211 E213	G78-R82 WeakPolarHBondContact O-CB 3.45Å; G78-R82 PolarHBondContact O-N 2.84Å; D79-R82 IonicContact OD1-CZ 3.01Å; D79-R82 IonicContact OD1-NH1 3.2Å; D79-R82 PolarHBondContact OD1-NH1 3.42Å; D79-R82 IonicContact OD1-NH2 2.88Å; D79-R82 PolarHBondContact OD1-NH2 3.29Å; E80-R82 VanDerWaalsContact C-N 3.32Å; E80-R82 PolarHBondContact O-N 3.45Å; R82-V84 PolarHBondContact O-N 2.99Å; R82-R85 PolarHBondContact O-N 2.87Å; R82-E86 WeakPolarHBondContact CD-OE1 3.25Å; R82-E86 HydrophobicContact CG-CG 4.4Å; R82-E86 WeakPolarHBondContact CG-OE1 3.23Å; R82-E86 WeakPolarHBondContact O-CB 3.33Å; R82-E86 WeakPolarHBondContact O-CG 3.42Å; R82-E86 PolarHBondContact O-N 3.08Å; R82-P210 PolarHBondContact NE-O 2.78Å; R82-P210 PolarHBondContact NH2-O 3.27Å; R82-F211 HydrophobicContact CB-CE1 4.42Å; R82-F211 HydrophobicContact CG-CD1 4.13Å; R82-F211 HydrophobicContact CG-CE1 4.01Å; R82-E213 IonicContact CZ-OE1 2.79Å; R82-E213 IonicContact NH1-OE1 2.8Å; R82-E213 IonicContact NH2-OE1 2.59Å
83	R	97.4	Very high	94.7	Very high	126 Å²	126	54.2 Å²	54.2	48%	0.475	26%	0.262	S	S	.	.	H	α-helix	trans	-59.6	-45.3	-179.5	-170.3	-163	-43.3	140.7	15.1	112.6	D79 E80 E86 S87	D79-R83 VanDerWaalsContact O-CB 3.29Å; D79-R83 WeakPolarHBondContact O-CB 3.24Å; D79-R83 PolarHBondContact O-N 3.06Å; E80-R83 VanDerWaalsContact CD-CZ 3.45Å; E80-R83 PolarHBondContact O-N 3.23Å; E80-R83 IonicContact OE1-CZ 3.49Å; E80-R83 IonicContact OE1-NH1 3.06Å; E80-R83 PolarHBondContact OE1-NH1 2.72Å; E80-R83 IonicContact OE1-NH2 3.14Å; E80-R83 PolarHBondContact OE1-NH2 3.13Å; E80-R83 IonicContact OE2-CZ 2.75Å; E80-R83 IonicContact OE2-NH1 3.61Å; E80-R83 PolarHBondContact OE2-NH1 2.98Å; E80-R83 IonicContact OE2-NH2 3.19Å; E80-R83 PolarHBondContact OE2-NH2 3.16Å; R83-E86 PolarHBondContact O-N 3.12Å; R83-S87 PolarHBondContact O-N 3.1Å
84	V	97.1	Very high	94	Very high	8 Å²	8	57.5 Å²	57.5	5%	0.048	29%	0.285	C	S	.	.	H	α-helix	trans	-62.3	-45.8	178.5	172.7	0	0	0	0	110	E80 R82 E86 S87 N88 L90 L112 Y182	E80-V84 WeakPolarHBondContact O-CG2 3.2Å; E80-V84 PolarHBondContact O-N 2.65Å; R82-V84 PolarHBondContact O-N 2.99Å; V84-E86 PolarHBondContact O-N 2.99Å; V84-S87 PolarHBondContact O-N 2.84Å; V84-S87 PolarHBondContact O-OG 2.91Å; V84-N88 PolarHBondContact O-N 2.8Å; V84-L90 HydrophobicContact CG1-CD2 4.1Å; V84-L112 HydrophobicContact CG2-CD1 3.76Å; V84-Y182 WeakPolarHBondContact CB-OH 3.41Å; V84-Y182 WeakPolarHBondContact CG1-OH 3.04Å
85	R	95.8	Very high	93.3	Very high	18 Å²	18	61.2 Å²	61.2	7%	0.068	30%	0.3	C	S	.	.	H	α-helix	trans	-60.9	-45.7	178.3	-169.1	69.5	-163.6	155.8	20	112.1	V81 R82 S87 N88 L90 Y182 T183 D185 F211	V81-R85 PolarHBondContact O-N 3.2Å; V81-R85 VanDerWaalsContact O-N 3.12Å; R82-R85 PolarHBondContact O-N 2.87Å; R85-S87 VanDerWaalsContact C-N 3.29Å; R85-S87 PolarHBondContact O-N 2.85Å; R85-N88 PolarHBondContact O-N 2.89Å; R85-N88 PolarHBondContact O-OD1 3.24Å; R85-L90 VanDerWaalsContact NH1-CD1 3.29Å; R85-Y182 WeakPolarHBondContact CA-OH 3.23Å; R85-Y182 HydrophobicContact CB-CE2 3.6Å; R85-Y182 HydrophobicContact CG-CE2 3.99Å; R85-Y182 PolarHBondContact N-OH 2.79Å; R85-Y182 PolarHBondContact NH1-O 2.81Å; R85-T183 PolarHBondContact NH1-O 2.63Å; R85-T183 VanDerWaalsContact NH1-O 3.11Å; R85-D185 IonicContact CZ-OD1 3.22Å; R85-D185 IonicContact NE-OD1 3.72Å; R85-D185 PolarHBondContact NE-OD1 3.32Å; R85-D185 VanDerWaalsContact NH2-CA 3.25Å; R85-D185 IonicContact NH2-OD1 3.17Å; R85-D185 PolarHBondContact NH2-OD1 3.47Å; R85-D185 IonicContact NH2-OD2 3.33Å; R85-F211 HydrophobicContact CB-CE1 3.96Å; R85-F211 HydrophobicContact CB-CZ 3.74Å; R85-F211 HydrophobicContact CG-CE1 3.97Å; R85-F211 HydrophobicContact CG-CZ 3.78Å
86	E	94.6	Very high	92.5	Very high	117 Å²	117	60.9 Å²	60.9	55%	0.547	31%	0.305	S	S	.	.	H	α-helix	trans	-67.8	-28.8	-178.3	-72.9	175	174.9	0	0	112.8	R82 R83 V84 N88	R82-E86 WeakPolarHBondContact CD-OE1 3.25Å; R82-E86 HydrophobicContact CG-CG 4.4Å; R82-E86 WeakPolarHBondContact CG-OE1 3.23Å; R82-E86 WeakPolarHBondContact O-CB 3.33Å; R82-E86 WeakPolarHBondContact O-CG 3.42Å; R82-E86 PolarHBondContact O-N 3.08Å; R83-E86 PolarHBondContact O-N 3.12Å; V84-E86 PolarHBondContact O-N 2.99Å; E86-N88 PolarHBondContact O-N 3.37Å
87	S	93.2	Very high	91.7	Very high	67 Å²	67	64.1 Å²	64.1	47%	0.469	32%	0.322	S	S	.	.	H	α-helix	trans	-72.5	-15.1	172.6	74.7	0	0	0	0	113.4	R83 V84 R85 V89	R83-S87 PolarHBondContact O-N 3.1Å; V84-S87 PolarHBondContact O-N 2.84Å; V84-S87 PolarHBondContact O-OG 2.91Å; R85-S87 VanDerWaalsContact C-N 3.29Å; R85-S87 PolarHBondContact O-N 2.85Å; S87-V89 WeakPolarHBondContact O-CG2 3.46Å; S87-V89 PolarHBondContact O-N 3.08Å; S87-V89 PolarHBondContact OG-N 3.28Å
88	N	85	Confident	90.6	Very high	120 Å²	120	65.7 Å²	65.7	64%	0.642	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	57	18.5	-171.6	-71.7	-43.3	0	0	0	114.8	V84 R85 E86	V84-N88 PolarHBondContact O-N 2.8Å; R85-N88 PolarHBondContact O-N 2.89Å; R85-N88 PolarHBondContact O-OD1 3.24Å; E86-N88 PolarHBondContact O-N 3.37Å
89	V	87.9	Confident	89.5	Confident	75 Å²	75	73.3 Å²	73.3	46%	0.455	36%	0.36	S	S	.	.			trans	-110.1	77.6	176.8	-166.9	0	0	0	0	109.6	S87 H91	S87-V89 WeakPolarHBondContact O-CG2 3.46Å; S87-V89 PolarHBondContact O-N 3.08Å; S87-V89 PolarHBondContact OG-N 3.28Å; V89-H91 VanDerWaalsContact CG1-CE1 3.42Å; V89-H91 WeakPolarHBondContact CG1-CE1 3.44Å; V89-H91 WeakPolarHBondContact CG1-NE2 3.49Å
90	L	87.5	Confident	88	Confident	26 Å²	26	74.4 Å²	74.4	14%	0.136	36%	0.363	C	S	.	.			trans	-75.8	-30.4	-173.6	-52.6	-178.5	0	0	0	113.4	V84 R85 E92 T107 S108 Y182	V84-L90 HydrophobicContact CG1-CD2 4.1Å; R85-L90 VanDerWaalsContact NH1-CD1 3.29Å; L90-E92 VanDerWaalsContact C-N 3.34Å; L90-E92 PolarHBondContact O-N 2.96Å; L90-T107 HydrophobicContact CB-CG2 4.33Å; L90-T107 WeakPolarHBondContact O-CA 3.38Å; L90-T107 WeakPolarHBondContact O-CB 3.35Å; L90-S108 PolarHBondContact O-N 3.42Å; L90-S108 PolarHBondContact O-OG 2.96Å; L90-Y182 HydrophobicContact CD2-CE1 3.8Å
91	H	89.7	Confident	86.8	Confident	123 Å²	123	75.8 Å²	75.8	57%	0.569	38%	0.381	S	S	*	.			trans	48.9	52.9	-169.1	-57.1	-66.3	0	0	0	112.7	V89 S108	V89-H91 VanDerWaalsContact CG1-CE1 3.42Å; V89-H91 WeakPolarHBondContact CG1-CE1 3.44Å; V89-H91 WeakPolarHBondContact CG1-NE2 3.49Å; H91-S108 WeakPolarHBondContact CB-OG 3.44Å; H91-S108 PolarHBondContact CD2-OG 3.21Å; H91-S108 VanDerWaalsContact CD2-OG 3.27Å
92	E	87.9	Confident	85.7	Confident	92 Å²	92	77.7 Å²	77.7	43%	0.43	40%	0.396	S	S	.	.			trans	-58.6	133.7	179.9	-175.5	177.2	163	0	0	111.9	L90 K105 M106 T183	L90-E92 VanDerWaalsContact C-N 3.34Å; L90-E92 PolarHBondContact O-N 2.96Å; E92-K105 VanDerWaalsContact OE1-CD 3.25Å; E92-K105 WeakPolarHBondContact OE1-CD 3.42Å; E92-K105 WeakPolarHBondContact OE1-CE 3.4Å; E92-K105 IonicContact OE1-NZ 2.65Å; E92-K105 PolarHBondContact OE1-NZ 2.83Å; E92-M106 CarbonylContact C-O 3.59Å; E92-M106 WeakPolarHBondContact CA-O 3.22Å; E92-T183 HydrophobicContact CG-CG2 4.25Å
93	K	87.2	Confident	84.8	Confident	135 Å²	135	81.7 Å²	81.7	59%	0.587	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.9	151.1	174.7	-64.1	178.7	-174.8	174.5	0	109.1	M106	K93-M106 HydrophobicContact CD-CE 4.48Å; K93-M106 PolarHBondContact N-O 3.25Å; K93-M106 PolarHBondContact O-N 2.02Å
94	S	85.6	Confident	84.1	Confident	69 Å²	69	78.1 Å²	78.1	48%	0.483	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.8	168.2	177	0	0	0	0	109.9	G96 D104	S94-G96 VanDerWaalsContact C-N 3.26Å; S94-G96 PolarHBondContact OG-N 3.06Å; S94-G96 PolarHBondContact OG-O 3.04Å; S94-D104 CarbonylContact C-O 3.56Å; S94-D104 VanDerWaalsContact CA-O 3.3Å; S94-D104 WeakPolarHBondContact CA-O 3.29Å; S94-D104 PolarHBondContact OG-O 2.85Å
95	K	82.6	Confident	83.7	Confident	77 Å²	77	79 Å²	79	34%	0.335	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-5.2	170.3	-60.7	-172	-63.2	-165.4	0	112.2	D104 M106 E133 E134	K95-D104 HydrophobicContact CB-CB 4.31Å; K95-D104 VanDerWaalsContact CE-CG 3.43Å; K95-D104 WeakPolarHBondContact CE-OD1 3.26Å; K95-D104 VanDerWaalsContact CE-OD2 3.29Å; K95-D104 WeakPolarHBondContact CE-OD2 3.44Å; K95-D104 PolarHBondContact N-O 3.37Å; K95-D104 IonicContact NZ-OD1 3.77Å; K95-M106 HydrophobicContact CD-CB 3.86Å; K95-M106 HydrophobicContact CD-CG 4.31Å; K95-M106 HydrophobicContact CD-SD 4Å; K95-M106 HydrophobicContact CG-CB 3.79Å; K95-M106 HydrophobicContact CG-SD 4.33Å; K95-E133 IonicContact NZ-OE1 3.17Å; K95-E133 PolarHBondContact NZ-OE1 3.49Å; K95-E134 IonicContact NZ-OE1 3.72Å; K95-E134 PolarHBondContact NZ-OE1 3.4Å; K95-E134 IonicContact NZ-OE2 3.77Å
96	G	83.6	Confident	83.6	Confident	33 Å²	33	80 Å²	80	34%	0.34	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	129.8	-147.2	-175	0	0	0	0	0	111.4	S94 D104	S94-G96 VanDerWaalsContact C-N 3.26Å; S94-G96 PolarHBondContact OG-N 3.06Å; S94-G96 PolarHBondContact OG-O 3.04Å; G96-D104 PolarHBondContact O-N 2.9Å
97	K	79.8	Confident	83.6	Confident	157 Å²	157	74.6 Å²	74.6	68%	0.683	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.8	143.5	175.3	-66.2	-171.7	175.3	-167.4	0	111	A102	K97-A102 CarbonylContact C-O 3.48Å; K97-A102 WeakPolarHBondContact CA-O 3.4Å
98	T	76.4	Confident	83.7	Confident	34 Å²	34	72.7 Å²	72.7	21%	0.209	38%	0.378	C	S	.	.			trans	-63.3	167.7	165.5	69.1	0	0	0	0	110.1	E100 G101 A102 D104	T98-E100 WeakPolarHBondContact CB-OE2 3.28Å; T98-E100 PolarHBondContact O-N 2.91Å; T98-E100 PolarHBondContact OG1-OE2 3.39Å; T98-G101 WeakPolarHBondContact O-CA 3.31Å; T98-G101 PolarHBondContact O-N 2.74Å; T98-G101 PolarHBondContact OG1-N 2.92Å; T98-A102 HydrophobicContact CG2-CB 4.39Å; T98-A102 PolarHBondContact N-O 2.83Å; T98-A102 PolarHBondContact OG1-N 3.24Å; T98-A102 VanDerWaalsContact OG1-N 3.15Å; T98-D104 HydrophobicContact CG2-CB 4.17Å
99	R	74.5	Confident	84.2	Confident	159 Å²	159	67 Å²	67	60%	0.6	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-24.2	178.2	-67.7	-172.8	177.2	-163.1	9	112.3	G101 E332	R99-G101 VanDerWaalsContact C-N 3.3Å; R99-E332 IonicContact CZ-OE1 3.48Å; R99-E332 IonicContact CZ-OE2 3.81Å; R99-E332 IonicContact NH1-OE1 3.77Å; R99-E332 PolarHBondContact NH1-OE1 2.89Å; R99-E332 IonicContact NH1-OE2 3.71Å; R99-E332 PolarHBondContact NH1-OE2 2.82Å; R99-E332 IonicContact NH2-OE1 2.76Å; R99-E332 PolarHBondContact NH2-OE1 2.81Å
100	E	68.7	Low	84.6	Confident	80 Å²	80	63.4 Å²	63.4	37%	0.374	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-5.4	176.3	-58.7	78.5	-176.5	0	0	112.5	T98 T294	T98-E100 WeakPolarHBondContact CB-OE2 3.28Å; T98-E100 PolarHBondContact O-N 2.91Å; T98-E100 PolarHBondContact OG1-OE2 3.39Å; E100-T294 HydrophobicContact CG-CG2 4.27Å; E100-T294 WeakPolarHBondContact OE1-CB 3.19Å; E100-T294 PolarHBondContact OE1-OG1 2.85Å
101	G	71.1	Confident	85	Confident	41 Å²	41	65.3 Å²	65.3	42%	0.423	34%	0.338	S	S	.	.	S	Bend	trans	88.5	4.9	175.4	0	0	0	0	0	115.6	T98 R99	T98-G101 WeakPolarHBondContact O-CA 3.31Å; T98-G101 PolarHBondContact O-N 2.74Å; T98-G101 PolarHBondContact OG1-N 2.92Å; R99-G101 VanDerWaalsContact C-N 3.3Å
102	A	75.1	Confident	85.3	Confident	39 Å²	39	62.2 Å²	62.2	32%	0.322	33%	0.326	S	S	.	.			trans	-75.2	155.4	173.4	0	0	0	0	0	110.7	K97 T98 D104	K97-A102 CarbonylContact C-O 3.48Å; K97-A102 WeakPolarHBondContact CA-O 3.4Å; T98-A102 HydrophobicContact CG2-CB 4.39Å; T98-A102 PolarHBondContact N-O 2.83Å; T98-A102 PolarHBondContact OG1-N 3.24Å; T98-A102 VanDerWaalsContact OG1-N 3.15Å; A102-D104 PolarHBondContact O-N 3.05Å
103	E	80.6	Confident	85.8	Confident	119 Å²	119	57.9 Å²	57.9	56%	0.556	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	125	173.7	-67.1	-170.9	153.8	0	0	110.1	K105	E103-K105 HydrophobicContact CB-CG 4.49Å
104	D	82.9	Confident	86.2	Confident	52 Å²	52	51.6 Å²	51.6	28%	0.278	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	112	171.2	-175.9	5.7	0	0	0	107.9	S94 K95 G96 T98 A102	S94-D104 CarbonylContact C-O 3.56Å; S94-D104 VanDerWaalsContact CA-O 3.3Å; S94-D104 WeakPolarHBondContact CA-O 3.29Å; S94-D104 PolarHBondContact OG-O 2.85Å; K95-D104 HydrophobicContact CB-CB 4.31Å; K95-D104 VanDerWaalsContact CE-CG 3.43Å; K95-D104 WeakPolarHBondContact CE-OD1 3.26Å; K95-D104 VanDerWaalsContact CE-OD2 3.29Å; K95-D104 WeakPolarHBondContact CE-OD2 3.44Å; K95-D104 PolarHBondContact N-O 3.37Å; K95-D104 IonicContact NZ-OD1 3.77Å; G96-D104 PolarHBondContact O-N 2.9Å; T98-D104 HydrophobicContact CG2-CB 4.17Å; A102-D104 PolarHBondContact O-N 3.05Å
105	K	88.9	Confident	86.7	Confident	27 Å²	27	51.3 Å²	51.3	12%	0.117	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	149.6	-170.1	-66.8	-172.5	175	-160.6	0	110.9	E92 E103 T179 Q180 T183	E92-K105 VanDerWaalsContact OE1-CD 3.25Å; E92-K105 WeakPolarHBondContact OE1-CD 3.42Å; E92-K105 WeakPolarHBondContact OE1-CE 3.4Å; E92-K105 IonicContact OE1-NZ 2.65Å; E92-K105 PolarHBondContact OE1-NZ 2.83Å; E103-K105 HydrophobicContact CB-CG 4.49Å; K105-T179 HydrophobicContact CB-CG2 4.11Å; K105-T179 WeakPolarHBondContact O-CG2 3.44Å; K105-Q180 VanDerWaalsContact CD-OE1 3.24Å; K105-T183 HydrophobicContact CD-CG2 3.98Å; K105-T183 PolarHBondContact NZ-OG1 3.2Å
106	M	92.7	Very high	87.4	Confident	38 Å²	38	49.8 Å²	49.8	19%	0.187	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	144.6	172.9	-173.3	-173.4	74.8	0	0	109.3	E92 K93 K95 D110 V111	E92-M106 CarbonylContact C-O 3.59Å; E92-M106 WeakPolarHBondContact CA-O 3.22Å; K93-M106 HydrophobicContact CD-CE 4.48Å; K93-M106 PolarHBondContact N-O 3.25Å; K93-M106 PolarHBondContact O-N 2.02Å; K95-M106 HydrophobicContact CD-CB 3.86Å; K95-M106 HydrophobicContact CD-CG 4.31Å; K95-M106 HydrophobicContact CD-SD 4Å; K95-M106 HydrophobicContact CG-CB 3.79Å; K95-M106 HydrophobicContact CG-SD 4.33Å; M106-D110 HydrophobicContact CG-CB 3.99Å; M106-V111 HydrophobicContact CE-CG2 4.1Å; M106-V111 HydrophobicContact CG-CG2 4.4Å; M106-V111 HydrophobicContact SD-CG2 4.02Å
107	T	95	Very high	88.1	Confident	3 Å²	3	48.2 Å²	48.2	2%	0.018	24%	0.244	C	C	.	.			trans	-129.2	176.3	178.8	76.4	0	0	0	0	110.4	L90 G109 D110 V111 T179 Y182 T183	L90-T107 HydrophobicContact CB-CG2 4.33Å; L90-T107 WeakPolarHBondContact O-CA 3.38Å; L90-T107 WeakPolarHBondContact O-CB 3.35Å; T107-G109 PolarHBondContact O-N 3.39Å; T107-G109 PolarHBondContact OG1-N 3.5Å; T107-D110 VanDerWaalsContact CA-OD2 3.3Å; T107-D110 WeakPolarHBondContact CA-OD2 3.39Å; T107-D110 VanDerWaalsContact CB-OD2 3.3Å; T107-D110 WeakPolarHBondContact CB-OD2 3.04Å; T107-D110 PolarHBondContact N-OD2 3.18Å; T107-D110 PolarHBondContact O-N 2.89Å; T107-D110 PolarHBondContact OG1-OD2 3.48Å; T107-V111 PolarHBondContact O-N 3.24Å; T107-T179 HydrophobicContact CG2-CG2 4.04Å; T107-Y182 HydrophobicContact CG2-CD1 4.1Å; T107-Y182 HydrophobicContact CG2-CE1 4.07Å; T107-Y182 WeakPolarHBondContact OG1-CE1 3.47Å; T107-T183 HydrophobicContact CG2-CG2 3.95Å
108	S	94.6	Very high	88.9	Confident	28 Å²	28	42.2 Å²	42.2	20%	0.196	22%	0.218	C	C	.	.	H	α-helix	trans	-63.8	-22.6	169.6	-57.2	0	0	0	0	112.4	L90 H91 L112	L90-S108 PolarHBondContact O-N 3.42Å; L90-S108 PolarHBondContact O-OG 2.96Å; H91-S108 WeakPolarHBondContact CB-OG 3.44Å; H91-S108 PolarHBondContact CD2-OG 3.21Å; H91-S108 VanDerWaalsContact CD2-OG 3.27Å; S108-L112 VanDerWaalsContact O-CB 3.28Å; S108-L112 WeakPolarHBondContact O-CB 3.17Å; S108-L112 VanDerWaalsContact O-CG 3.25Å; S108-L112 WeakPolarHBondContact O-CG 3.48Å; S108-L112 PolarHBondContact O-N 3.13Å
109	G	96.4	Very high	89.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.1	-48	175.1	0	0	0	0	0	111	T107 S113	T107-G109 PolarHBondContact O-N 3.39Å; T107-G109 PolarHBondContact OG1-N 3.5Å; G109-S113 WeakPolarHBondContact O-CB 3.44Å; G109-S113 PolarHBondContact O-N 3.47Å
110	D	96.7	Very high	90.9	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-60.1	-49	178.6	-46	-109	0	0	0	110.4	M106 T107 N114 E134 L176 T179	M106-D110 HydrophobicContact CG-CB 3.99Å; T107-D110 VanDerWaalsContact CA-OD2 3.3Å; T107-D110 WeakPolarHBondContact CA-OD2 3.39Å; T107-D110 VanDerWaalsContact CB-OD2 3.3Å; T107-D110 WeakPolarHBondContact CB-OD2 3.04Å; T107-D110 PolarHBondContact N-OD2 3.18Å; T107-D110 PolarHBondContact O-N 2.89Å; T107-D110 PolarHBondContact OG1-OD2 3.48Å; D110-N114 WeakPolarHBondContact O-CB 3.21Å; D110-N114 PolarHBondContact O-N 3.26Å; D110-E134 HydrophobicContact CB-CG 4.03Å; D110-L176 HydrophobicContact CB-CB 4.38Å; D110-T179 VanDerWaalsContact OD1-CG2 3.27Å; D110-T179 WeakPolarHBondContact OD1-CG2 3.5Å; D110-T179 PolarHBondContact OD1-OG1 2.97Å
111	V	95.1	Very high	92.3	Very high	66 Å²	66	30.2 Å²	30.2	40%	0.4	17%	0.165	S	C	.	.	H	α-helix	trans	-64.9	-49.4	-177.8	178.1	0	0	0	0	112.3	M106 T107 N114 R115	M106-V111 HydrophobicContact CE-CG2 4.1Å; M106-V111 HydrophobicContact CG-CG2 4.4Å; M106-V111 HydrophobicContact SD-CG2 4.02Å; T107-V111 PolarHBondContact O-N 3.24Å; V111-N114 PolarHBondContact O-N 2.76Å; V111-R115 WeakPolarHBondContact O-CB 3.28Å; V111-R115 PolarHBondContact O-N 2.91Å
112	L	95.5	Very high	93.5	Very high	58 Å²	58	32 Å²	32	30%	0.304	16%	0.162	S	C	.	.	H	α-helix	trans	-70.8	-39.8	-177.3	-67.7	174.4	0	0	0	111.7	E80 V84 S108 R115 K116	E80-L112 HydrophobicContact CB-CB 4.05Å; E80-L112 HydrophobicContact CG-CB 4.27Å; V84-L112 HydrophobicContact CG2-CD1 3.76Å; S108-L112 VanDerWaalsContact O-CB 3.28Å; S108-L112 WeakPolarHBondContact O-CB 3.17Å; S108-L112 VanDerWaalsContact O-CG 3.25Å; S108-L112 WeakPolarHBondContact O-CG 3.48Å; S108-L112 PolarHBondContact O-N 3.13Å; L112-R115 PolarHBondContact O-N 2.94Å; L112-K116 PolarHBondContact O-N 2.67Å; L112-K116 VanDerWaalsContact O-N 3.12Å
113	S	97.9	Very high	94.4	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.2	-47.9	173.8	-176.8	0	0	0	0	111.2	G77 G109 R115 K116 M117 P175	G77-S113 VanDerWaalsContact C-OG 3.26Å; G77-S113 WeakPolarHBondContact CA-OG 3.21Å; G77-S113 PolarHBondContact O-OG 2.67Å; G109-S113 WeakPolarHBondContact O-CB 3.44Å; G109-S113 PolarHBondContact O-N 3.47Å; S113-R115 PolarHBondContact O-N 3.45Å; S113-K116 PolarHBondContact O-N 3.34Å; S113-M117 WeakPolarHBondContact O-CB 3.23Å; S113-M117 VanDerWaalsContact O-CG 3.28Å; S113-M117 WeakPolarHBondContact O-CG 3.32Å; S113-M117 PolarHBondContact O-N 2.94Å; S113-P175 VanDerWaalsContact CB-O 3.22Å; S113-P175 WeakPolarHBondContact CB-O 3.5Å; S113-P175 PolarHBondContact OG-O 3.49Å
114	N	97.4	Very high	95.1	Very high	4 Å²	4	27.8 Å²	27.8	2%	0.021	14%	0.142	C	C	.	.	H	α-helix	trans	-55.8	-49.7	177.1	-177.5	46.1	0	0	0	111.9	D110 V111 K116 M117 F118 T132 E134 P175	D110-N114 WeakPolarHBondContact O-CB 3.21Å; D110-N114 PolarHBondContact O-N 3.26Å; V111-N114 PolarHBondContact O-N 2.76Å; N114-K116 PolarHBondContact O-N 3.38Å; N114-M117 PolarHBondContact O-N 2.9Å; N114-F118 WeakPolarHBondContact O-CB 3.42Å; N114-F118 PolarHBondContact O-N 3.09Å; N114-T132 WeakPolarHBondContact OD1-CB 3.22Å; N114-T132 WeakPolarHBondContact OD1-CG2 3.38Å; N114-T132 PolarHBondContact OD1-OG1 2.98Å; N114-E134 HydrophobicContact CB-CB 3.89Å; N114-E134 HydrophobicContact CB-CG 4.46Å; N114-E134 PolarHBondContact ND2-O 2.99Å; N114-P175 HydrophobicContact CB-CB 3.72Å; N114-P175 HydrophobicContact CB-CG 3.89Å
115	R	95.6	Very high	95.7	Very high	62 Å²	62	26.2 Å²	26.2	23%	0.234	13%	0.133	C	C	.	.	H	α-helix	trans	-54.8	-50.8	178.3	177.6	-174	161.5	155.5	16.2	111.2	V111 L112 S113 Y119 D140 E142	V111-R115 WeakPolarHBondContact O-CB 3.28Å; V111-R115 PolarHBondContact O-N 2.91Å; L112-R115 PolarHBondContact O-N 2.94Å; S113-R115 PolarHBondContact O-N 3.45Å; R115-Y119 HydrophobicContact CG-CD2 3.76Å; R115-Y119 HydrophobicContact CG-CE2 4Å; R115-Y119 WeakPolarHBondContact O-CB 3.4Å; R115-Y119 VanDerWaalsContact O-CD2 3.27Å; R115-Y119 WeakPolarHBondContact O-CD2 3.41Å; R115-Y119 PolarHBondContact O-N 2.9Å; R115-Y119 VanDerWaalsContact O-N 3.1Å; R115-D140 IonicContact CZ-OD1 2.94Å; R115-D140 IonicContact CZ-OD2 2.8Å; R115-D140 IonicContact NE-OD2 2.73Å; R115-D140 IonicContact NH1-OD1 2.71Å; R115-D140 PolarHBondContact NH1-OD1 3.29Å; R115-D140 IonicContact NH1-OD2 2.74Å; R115-D140 PolarHBondContact NH1-OD2 3.37Å; R115-D140 IonicContact NH2-OD1 3.81Å; R115-D140 PolarHBondContact NH2-OD1 2.84Å; R115-E142 IonicContact CZ-OE2 3.23Å; R115-E142 IonicContact NE-OE2 2.62Å; R115-E142 PolarHBondContact NE-OE2 3.32Å; R115-E142 IonicContact NH2-OE2 3.92Å
116	K	96	Very high	96	Very high	46 Å²	46	29.1 Å²	29.1	20%	0.2	15%	0.154	C	C	.	.	H	α-helix	trans	-61.2	-47	179.9	-71.9	-56.1	-171.5	-158.3	0	112.2	E80 L112 S113 N114 L120 E142 I144	E80-K116 HydrophobicContact CG-CB 4.35Å; E80-K116 HydrophobicContact CG-CG 3.51Å; E80-K116 WeakPolarHBondContact OE1-CE 2.96Å; L112-K116 PolarHBondContact O-N 2.67Å; L112-K116 VanDerWaalsContact O-N 3.12Å; S113-K116 PolarHBondContact O-N 3.34Å; N114-K116 PolarHBondContact O-N 3.38Å; K116-L120 VanDerWaalsContact O-CB 3.28Å; K116-L120 WeakPolarHBondContact O-CB 3.44Å; K116-L120 PolarHBondContact O-N 3.35Å; K116-E142 IonicContact NZ-OE1 3.79Å; K116-E142 PolarHBondContact NZ-OE1 3.19Å; K116-E142 IonicContact NZ-OE2 3.63Å; K116-E142 PolarHBondContact NZ-OE2 2.83Å; K116-I144 HydrophobicContact CD-CD1 3.86Å
117	M	98.1	Very high	96.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-66.4	-51.2	-177.1	-68.4	175.6	72.6	0	0	111.4	A73 S113 N114 L121 I173 P175 M193 V194	A73-M117 HydrophobicContact CB-CB 4.39Å; A73-M117 HydrophobicContact CB-CG 4.37Å; A73-M117 VanDerWaalsContact O-CG 3.26Å; A73-M117 WeakPolarHBondContact O-CG 3.45Å; S113-M117 WeakPolarHBondContact O-CB 3.23Å; S113-M117 VanDerWaalsContact O-CG 3.28Å; S113-M117 WeakPolarHBondContact O-CG 3.32Å; S113-M117 PolarHBondContact O-N 2.94Å; N114-M117 PolarHBondContact O-N 2.9Å; M117-L121 WeakPolarHBondContact O-CD1 3.48Å; M117-L121 PolarHBondContact O-N 3.11Å; M117-L121 VanDerWaalsContact O-N 3.13Å; M117-I173 HydrophobicContact CB-CD1 4.24Å; M117-I173 HydrophobicContact CB-CG2 4.15Å; M117-I173 HydrophobicContact CE-CG2 3.62Å; M117-I173 HydrophobicContact SD-CG2 4.05Å; M117-P175 HydrophobicContact SD-CB 4.25Å; M117-M193 WeakPolarHBondContact CE-O 3.44Å; M117-V194 HydrophobicContact CE-CG2 3.38Å
118	F	97.6	Very high	96.1	Very high	31 Å²	31	30.9 Å²	30.9	14%	0.136	17%	0.171	C	C	.	.	H	α-helix	trans	-60.5	-51.9	-177.3	-178	-89	0	0	0	111.5	N114 L120 L121 K122 I130 T132 V136 I173	N114-F118 WeakPolarHBondContact O-CB 3.42Å; N114-F118 PolarHBondContact O-N 3.09Å; F118-L120 PolarHBondContact O-N 2.93Å; F118-L121 PolarHBondContact O-N 3.01Å; F118-K122 HydrophobicContact CD1-CB 4.4Å; F118-K122 HydrophobicContact CE1-CB 4.15Å; F118-K122 HydrophobicContact CE1-CG 4.24Å; F118-K122 VanDerWaalsContact O-CB 3.22Å; F118-K122 WeakPolarHBondContact O-CB 3.36Å; F118-K122 PolarHBondContact O-N 3.45Å; F118-I130 HydrophobicContact CD2-CB 4.25Å; F118-I130 HydrophobicContact CD2-CG2 3.68Å; F118-I130 HydrophobicContact CE2-CB 3.9Å; F118-I130 HydrophobicContact CE2-CG2 3.84Å; F118-T132 HydrophobicContact CD2-CG2 4.05Å; F118-V136 HydrophobicContact CB-CG2 4.42Å; F118-V136 HydrophobicContact CD1-CG1 3.79Å; F118-V136 HydrophobicContact CD1-CG2 3.94Å; F118-V136 HydrophobicContact CD2-CG2 3.65Å; F118-V136 HydrophobicContact CE1-CB 4.43Å; F118-V136 HydrophobicContact CE1-CG1 3.72Å; F118-V136 HydrophobicContact CE1-CG2 4.08Å; F118-V136 HydrophobicContact CE2-CG2 3.79Å; F118-V136 HydrophobicContact CG-CG1 4.41Å; F118-V136 HydrophobicContact CG-CG2 3.72Å; F118-V136 HydrophobicContact CZ-CG1 4.27Å; F118-V136 HydrophobicContact CZ-CG2 4Å; F118-I173 HydrophobicContact CB-CD1 4.47Å
119	Y	96.4	Very high	96.2	Very high	19 Å²	19	34.7 Å²	34.7	8%	0.075	19%	0.185	C	C	.	.	H	α-helix	trans	-71.4	-31.5	-175.1	-77.9	-62.8	0	0	0	113.4	R115 T123 V136 D137 D140 Q141 E142	R115-Y119 HydrophobicContact CG-CD2 3.76Å; R115-Y119 HydrophobicContact CG-CE2 4Å; R115-Y119 WeakPolarHBondContact O-CB 3.4Å; R115-Y119 VanDerWaalsContact O-CD2 3.27Å; R115-Y119 WeakPolarHBondContact O-CD2 3.41Å; R115-Y119 PolarHBondContact O-N 2.9Å; R115-Y119 VanDerWaalsContact O-N 3.1Å; Y119-T123 VanDerWaalsContact O-CB 3.23Å; Y119-T123 WeakPolarHBondContact O-CB 3.35Å; Y119-T123 PolarHBondContact O-N 2.91Å; Y119-T123 PolarHBondContact O-OG1 3.18Å; Y119-V136 HydrophobicContact CE2-CG1 4.34Å; Y119-D137 PolarHBondContact OH-O 3.34Å; Y119-D137 VanDerWaalsContact OH-O 3.06Å; Y119-D140 VanDerWaalsContact CE2-O 3.31Å; Y119-D140 WeakPolarHBondContact CE2-O 3.4Å; Y119-Q141 HydrophobicContact CE1-CB 4.08Å; Y119-Q141 HydrophobicContact CE1-CG 4.06Å; Y119-Q141 WeakPolarHBondContact OH-CG 3.36Å; Y119-E142 VanDerWaalsContact CB-O 3.22Å; Y119-E142 WeakPolarHBondContact CB-O 2.97Å; Y119-E142 WeakPolarHBondContact CD1-O 3.42Å; Y119-E142 HydrophobicContact CD2-CB 4.08Å; Y119-E142 HydrophobicContact CG-CB 4.29Å; Y119-E142 VanDerWaalsContact CG-O 3.3Å
120	L	97.2	Very high	96.2	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-50.6	171.4	173.3	59.9	0	0	0	111	V69 L72 A73 K116 F118 T123 A124 I144 W146	V69-L120 HydrophobicContact CG1-CD1 4.38Å; V69-L120 HydrophobicContact CG1-CD2 4.43Å; V69-L120 HydrophobicContact CG1-CG 3.98Å; L72-L120 HydrophobicContact CB-CD2 4.13Å; L72-L120 HydrophobicContact CD2-CD1 4.41Å; L72-L120 HydrophobicContact CD2-CD2 3.94Å; L72-L120 HydrophobicContact CG-CD2 3.74Å; A73-L120 HydrophobicContact CB-CD2 4Å; K116-L120 VanDerWaalsContact O-CB 3.28Å; K116-L120 WeakPolarHBondContact O-CB 3.44Å; K116-L120 PolarHBondContact O-N 3.35Å; F118-L120 PolarHBondContact O-N 2.93Å; L120-T123 PolarHBondContact O-N 3.32Å; L120-A124 WeakPolarHBondContact O-CB 3.4Å; L120-A124 PolarHBondContact O-N 3.42Å; L120-I144 HydrophobicContact CB-CB 4.31Å; L120-I144 HydrophobicContact CB-CD1 4.37Å; L120-I144 HydrophobicContact CB-CG2 4.22Å; L120-I144 HydrophobicContact CD1-CB 4.42Å; L120-I144 HydrophobicContact CD1-CG2 3.83Å; L120-W146 HydrophobicContact CD1-CB 4.21Å
121	L	97.4	Very high	96.2	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-65.6	-40.3	179.4	-75.5	159.2	0	0	0	111.8	M66 V69 A73 M117 F118 A124 F125 I130 V171 I173 V194	M66-L121 HydrophobicContact SD-CD2 4.18Å; V69-L121 HydrophobicContact CB-CD2 4.38Å; V69-L121 HydrophobicContact CG1-CD2 3.75Å; V69-L121 HydrophobicContact CG1-CG 4.31Å; A73-L121 HydrophobicContact CB-CD1 3.94Å; A73-L121 HydrophobicContact CB-CG 4.05Å; M117-L121 WeakPolarHBondContact O-CD1 3.48Å; M117-L121 PolarHBondContact O-N 3.11Å; M117-L121 VanDerWaalsContact O-N 3.13Å; F118-L121 PolarHBondContact O-N 3.01Å; L121-A124 PolarHBondContact O-N 3.39Å; L121-F125 PolarHBondContact O-N 3.23Å; L121-I130 HydrophobicContact CB-CD1 3.72Å; L121-V171 HydrophobicContact CD1-CG1 4.07Å; L121-I173 HydrophobicContact CD1-CD1 3.63Å; L121-I173 HydrophobicContact CD1-CG1 4.09Å; L121-V194 HydrophobicContact CD1-CG1 4.1Å; L121-V194 HydrophobicContact CD1-CG2 4.39Å
122	K	95.6	Very high	96.3	Very high	79 Å²	79	35.4 Å²	35.4	34%	0.343	19%	0.188	S	C	.	.	H	α-helix	trans	-68.2	-36	179.7	-171.3	55.6	170.8	176.6	0	112.7	F118 F125 P126 I130	F118-K122 HydrophobicContact CD1-CB 4.4Å; F118-K122 HydrophobicContact CE1-CB 4.15Å; F118-K122 HydrophobicContact CE1-CG 4.24Å; F118-K122 VanDerWaalsContact O-CB 3.22Å; F118-K122 WeakPolarHBondContact O-CB 3.36Å; F118-K122 PolarHBondContact O-N 3.45Å; K122-F125 CarbonylContact O-C 3.58Å; K122-P126 PolarHBondContact NZ-O 2.96Å; K122-P126 WeakPolarHBondContact O-CA 3.31Å; K122-I130 HydrophobicContact CB-CD1 3.94Å; K122-I130 HydrophobicContact CD-CD1 4.22Å
123	T	94.6	Very high	96.2	Very high	47 Å²	47	34.7 Å²	34.7	29%	0.288	18%	0.183	S	C	.	.	H	α-helix	trans	-70.4	-42.4	175.7	-56.6	0	0	0	0	110.7	Y119 L120 V143 I144 L145	Y119-T123 VanDerWaalsContact O-CB 3.23Å; Y119-T123 WeakPolarHBondContact O-CB 3.35Å; Y119-T123 PolarHBondContact O-N 2.91Å; Y119-T123 PolarHBondContact O-OG1 3.18Å; L120-T123 PolarHBondContact O-N 3.32Å; T123-V143 HydrophobicContact CG2-CG1 4.39Å; T123-I144 WeakPolarHBondContact CB-O 3.35Å; T123-I144 WeakPolarHBondContact CG2-O 3.13Å; T123-L145 HydrophobicContact CG2-CD2 4.32Å
124	A	95.8	Very high	96	Very high	22 Å²	22	35.2 Å²	35.2	18%	0.182	19%	0.185	C	C	.	.	H	α-helix	trans	-69.3	-37	178.9	0	0	0	0	0	113	V69 L120 L121 W146	V69-A124 HydrophobicContact CG1-CB 3.92Å; V69-A124 HydrophobicContact CG2-CB 4.14Å; L120-A124 WeakPolarHBondContact O-CB 3.4Å; L120-A124 PolarHBondContact O-N 3.42Å; L121-A124 PolarHBondContact O-N 3.39Å; A124-W146 HydrophobicContact CB-CE3 4.2Å
125	F	95.8	Very high	95.5	Very high	20 Å²	20	42.9 Å²	42.9	9%	0.088	22%	0.221	C	C	.	.			trans	-132.7	77.5	-177.6	-58.1	-78.5	0	0	0	112	V61 E65 M66 V69 L121 K122 S127 V128 W146	V61-F125 HydrophobicContact CG1-CD1 4.13Å; V61-F125 HydrophobicContact CG1-CE1 3.93Å; V61-F125 HydrophobicContact CG2-CD1 4.15Å; E65-F125 HydrophobicContact CB-CZ 4.27Å; M66-F125 HydrophobicContact CB-CE2 4.2Å; M66-F125 HydrophobicContact CB-CZ 4.01Å; M66-F125 HydrophobicContact CE-CB 3.97Å; M66-F125 HydrophobicContact CE-CD1 3.75Å; M66-F125 HydrophobicContact CE-CD2 3.31Å; M66-F125 HydrophobicContact CE-CE1 4.04Å; M66-F125 HydrophobicContact CE-CE2 3.64Å; M66-F125 HydrophobicContact CE-CG 3.37Å; M66-F125 HydrophobicContact CE-CZ 3.99Å; M66-F125 HydrophobicContact CG-CE2 4.49Å; M66-F125 HydrophobicContact SD-CD2 3.59Å; M66-F125 VanDerWaalsContact SD-CD2 3.59Å; M66-F125 HydrophobicContact SD-CE2 3.55Å; M66-F125 VanDerWaalsContact SD-CE2 3.55Å; M66-F125 HydrophobicContact SD-CG 4.28Å; M66-F125 HydrophobicContact SD-CZ 4.22Å; V69-F125 HydrophobicContact CB-CE2 4.06Å; V69-F125 HydrophobicContact CG1-CE2 4.41Å; V69-F125 HydrophobicContact CG2-CE2 3.88Å; V69-F125 HydrophobicContact CG2-CZ 4.44Å; L121-F125 PolarHBondContact O-N 3.23Å; K122-F125 CarbonylContact O-C 3.58Å; F125-S127 VanDerWaalsContact C-N 3.28Å; F125-S127 PolarHBondContact O-N 3.37Å; F125-V128 HydrophobicContact CB-CB 3.95Å; F125-V128 HydrophobicContact CB-CG2 3.74Å; F125-V128 HydrophobicContact CG-CG2 4.48Å; F125-V128 PolarHBondContact O-N 3.48Å; F125-W146 HydrophobicContact CZ-CZ3 4.43Å
126	P	94.2	Very high	94.9	Very high	87 Å²	87	41.7 Å²	41.7	57%	0.565	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-30.1	-172.8	-25.7	35.6	0	0	0	114.9	K122	K122-P126 PolarHBondContact NZ-O 2.96Å; K122-P126 WeakPolarHBondContact O-CA 3.31Å
127	S	94.3	Very high	94.3	Very high	77 Å²	77	43.7 Å²	43.7	54%	0.538	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-12.3	-178.4	51.6	0	0	0	0	114.2	F125 A166	F125-S127 VanDerWaalsContact C-N 3.28Å; F125-S127 PolarHBondContact O-N 3.37Å; S127-A166 WeakPolarHBondContact OG-CB 3.47Å
128	V	96.3	Very high	93.3	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.012	26%	0.261	C	S	.	.	S	Bend	trans	-81.6	140.3	-176.3	172.2	0	0	0	0	111	V61 M66 F125 A166 V169 V171	V61-V128 HydrophobicContact CG2-CG2 3.62Å; M66-V128 HydrophobicContact CE-CG1 4.33Å; M66-V128 HydrophobicContact CE-CG2 4.08Å; F125-V128 HydrophobicContact CB-CB 3.95Å; F125-V128 HydrophobicContact CB-CG2 3.74Å; F125-V128 HydrophobicContact CG-CG2 4.48Å; F125-V128 PolarHBondContact O-N 3.48Å; V128-A166 HydrophobicContact CG2-CB 4.27Å; V128-V169 HydrophobicContact CG1-CB 4.09Å; V128-V169 HydrophobicContact CG1-CG1 3.69Å; V128-V169 HydrophobicContact CG2-CB 4.26Å; V128-V169 HydrophobicContact CG2-CG1 4.35Å; V128-V171 HydrophobicContact CG1-CG2 3.71Å
129	Q	96.1	Very high	92.5	Very high	107 Å²	107	50.1 Å²	50.1	50%	0.5	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	129.8	171.4	-178.8	179	-6.1	0	0	110	N131 T170 V171	Q129-N131 PolarHBondContact NE2-OD1 2.89Å; Q129-T170 HydrophobicContact CB-CG2 4.5Å; Q129-T170 HydrophobicContact CG-CG2 4.2Å; Q129-T170 WeakPolarHBondContact O-CA 3.13Å; Q129-V171 PolarHBondContact O-N 3.04Å
130	I	96.8	Very high	91.7	Very high	23 Å²	23	52.3 Å²	52.3	12%	0.118	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.8	176.6	-54.6	174.9	0	0	0	108.2	F118 L121 K122 V171 I173	F118-I130 HydrophobicContact CD2-CB 4.25Å; F118-I130 HydrophobicContact CD2-CG2 3.68Å; F118-I130 HydrophobicContact CE2-CB 3.9Å; F118-I130 HydrophobicContact CE2-CG2 3.84Å; L121-I130 HydrophobicContact CB-CD1 3.72Å; K122-I130 HydrophobicContact CB-CD1 3.94Å; K122-I130 HydrophobicContact CD-CD1 4.22Å; I130-V171 HydrophobicContact CG1-CB 4.17Å; I130-V171 HydrophobicContact CG2-CB 4.37Å; I130-V171 HydrophobicContact CG2-CG1 4.45Å; I130-I173 HydrophobicContact CG2-CD1 3.55Å; I130-I173 HydrophobicContact CG2-CG1 4.23Å
131	N	96.8	Very high	91	Very high	35 Å²	35	58.4 Å²	58.4	19%	0.187	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	130.8	171.7	-60.8	-17.5	0	0	0	107.8	Q129 V171 W172 I173	Q129-N131 PolarHBondContact NE2-OD1 2.89Å; N131-V171 PolarHBondContact N-O 2.85Å; N131-W172 HydrophobicContact CB-CD2 4.01Å; N131-W172 HydrophobicContact CB-CE3 3.56Å; N131-W172 HydrophobicContact CB-CH2 4.16Å; N131-W172 HydrophobicContact CB-CZ3 3.64Å; N131-W172 WeakPolarHBondContact ND2-CH2 3.38Å; N131-W172 WeakPolarHBondContact ND2-CZ2 3.45Å; N131-W172 CarbonylContact O-C 3.45Å; N131-W172 VanDerWaalsContact O-CA 3.28Å; N131-W172 WeakPolarHBondContact O-CA 3.23Å; N131-I173 PolarHBondContact O-N 3.25Å
132	T	96.1	Very high	90.4	Very high	24 Å²	24	60.5 Å²	60.5	15%	0.147	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	150.6	178.8	179.8	0	0	0	0	109.6	N114 F118 E134 V136 I173	N114-T132 WeakPolarHBondContact OD1-CB 3.22Å; N114-T132 WeakPolarHBondContact OD1-CG2 3.38Å; N114-T132 PolarHBondContact OD1-OG1 2.98Å; F118-T132 HydrophobicContact CD2-CG2 4.05Å; T132-E134 VanDerWaalsContact C-N 3.29Å; T132-E134 WeakPolarHBondContact CG2-O 3.36Å; T132-E134 PolarHBondContact O-N 3.29Å; T132-V136 HydrophobicContact CG2-CG2 3.8Å; T132-I173 WeakPolarHBondContact CA-O 3.28Å
133	E	94.3	Very high	89.9	Confident	43 Å²	43	62.1 Å²	62.1	20%	0.201	36%	0.359	C	S	.	.	S	Bend	trans	-57.1	-44.3	175.1	-179.4	178.3	177.6	0	0	112	K95 I173 W299	K95-E133 IonicContact NZ-OE1 3.17Å; K95-E133 PolarHBondContact NZ-OE1 3.49Å; E133-I173 PolarHBondContact N-O 2.83Å; E133-W299 HydrophobicContact CB-CD2 4.14Å; E133-W299 HydrophobicContact CB-CG 4.24Å; E133-W299 HydrophobicContact CB-CZ2 4.2Å; E133-W299 HydrophobicContact CG-CZ2 3.99Å
134	E	92.8	Very high	89.6	Confident	11 Å²	11	60.5 Å²	60.5	5%	0.051	35%	0.349	C	S	.	.	S	Bend	trans	-97.2	141.6	-169.4	-62.7	-57.9	163.9	0	0	112.6	K95 D110 N114 T132 V136 P175	K95-E134 IonicContact NZ-OE1 3.72Å; K95-E134 PolarHBondContact NZ-OE1 3.4Å; K95-E134 IonicContact NZ-OE2 3.77Å; D110-E134 HydrophobicContact CB-CG 4.03Å; N114-E134 HydrophobicContact CB-CB 3.89Å; N114-E134 HydrophobicContact CB-CG 4.46Å; N114-E134 PolarHBondContact ND2-O 2.99Å; T132-E134 VanDerWaalsContact C-N 3.29Å; T132-E134 WeakPolarHBondContact CG2-O 3.36Å; T132-E134 PolarHBondContact O-N 3.29Å; E134-V136 PolarHBondContact O-N 3.08Å; E134-P175 HydrophobicContact CB-CG 4.3Å; E134-P175 HydrophobicContact CG-CG 3.68Å
135	H	87.6	Confident	89.2	Confident	165 Å²	165	66 Å²	66	76%	0.764	38%	0.375	S	S	*	.			trans	-59.3	132.4	179.7	-179.2	-81.1	0	0	0	111.4
136	V	83.9	Confident	88.9	Confident	36 Å²	36	66.1 Å²	66.1	22%	0.218	37%	0.374	C	S	.	.			trans	-89.7	113.4	174.4	-178.3	0	0	0	0	109	F118 Y119 T132 E134 A138	F118-V136 HydrophobicContact CB-CG2 4.42Å; F118-V136 HydrophobicContact CD1-CG1 3.79Å; F118-V136 HydrophobicContact CD1-CG2 3.94Å; F118-V136 HydrophobicContact CD2-CG2 3.65Å; F118-V136 HydrophobicContact CE1-CB 4.43Å; F118-V136 HydrophobicContact CE1-CG1 3.72Å; F118-V136 HydrophobicContact CE1-CG2 4.08Å; F118-V136 HydrophobicContact CE2-CG2 3.79Å; F118-V136 HydrophobicContact CG-CG1 4.41Å; F118-V136 HydrophobicContact CG-CG2 3.72Å; F118-V136 HydrophobicContact CZ-CG1 4.27Å; F118-V136 HydrophobicContact CZ-CG2 4Å; Y119-V136 HydrophobicContact CE2-CG1 4.34Å; T132-V136 HydrophobicContact CG2-CG2 3.8Å; E134-V136 PolarHBondContact O-N 3.08Å; V136-A138 PolarHBondContact O-N 3.02Å
137	D	81.7	Confident	88.8	Confident	89 Å²	89	67.5 Å²	67.5	48%	0.476	38%	0.377	S	S	.	.			trans	-74	114.5	173.4	-171.1	-9.9	0	0	0	110.4	Y119 A139 D140	Y119-D137 PolarHBondContact OH-O 3.34Å; Y119-D137 VanDerWaalsContact OH-O 3.06Å; D137-A139 PolarHBondContact O-N 3.48Å; D137-A139 WeakPolarHBondContact OD1-CB 3.44Å; D137-A139 PolarHBondContact OD1-N 3.42Å; D137-D140 HydrophobicContact CB-CB 4.2Å; D137-D140 PolarHBondContact O-N 2.96Å
138	A	78.6	Confident	88.6	Confident	72 Å²	72	69.3 Å²	69.3	60%	0.595	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-17.8	179.4	0	0	0	0	0	113.3	V136 Q141	V136-A138 PolarHBondContact O-N 3.02Å; A138-Q141 WeakPolarHBondContact O-CG 3.11Å; A138-Q141 PolarHBondContact O-NE2 3.49Å
139	A	80.8	Confident	88.5	Confident	93 Å²	93	76.2 Å²	76.2	77%	0.769	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-21.2	175.7	0	0	0	0	0	113.2	D137	D137-A139 PolarHBondContact O-N 3.48Å; D137-A139 WeakPolarHBondContact OD1-CB 3.44Å; D137-A139 PolarHBondContact OD1-N 3.42Å
140	D	79.4	Confident	88.6	Confident	65 Å²	65	72 Å²	72	35%	0.348	39%	0.387	S	S	.	.	S	Bend	trans	-106.3	60.3	-179.1	-170.4	27.6	0	0	0	111.2	R115 Y119 D137	R115-D140 IonicContact CZ-OD1 2.94Å; R115-D140 IonicContact CZ-OD2 2.8Å; R115-D140 IonicContact NE-OD2 2.73Å; R115-D140 IonicContact NH1-OD1 2.71Å; R115-D140 PolarHBondContact NH1-OD1 3.29Å; R115-D140 IonicContact NH1-OD2 2.74Å; R115-D140 PolarHBondContact NH1-OD2 3.37Å; R115-D140 IonicContact NH2-OD1 3.81Å; R115-D140 PolarHBondContact NH2-OD1 2.84Å; Y119-D140 VanDerWaalsContact CE2-O 3.31Å; Y119-D140 WeakPolarHBondContact CE2-O 3.4Å; D137-D140 HydrophobicContact CB-CB 4.2Å; D137-D140 PolarHBondContact O-N 2.96Å
141	Q	82.8	Confident	88.5	Confident	129 Å²	129	73.3 Å²	73.3	60%	0.603	40%	0.397	S	S	*	.			trans	-75.6	147.4	179.7	-58.8	-172.3	6.2	0	0	112	Y119 A138	Y119-Q141 HydrophobicContact CE1-CB 4.08Å; Y119-Q141 HydrophobicContact CE1-CG 4.06Å; Y119-Q141 WeakPolarHBondContact OH-CG 3.36Å; A138-Q141 WeakPolarHBondContact O-CG 3.11Å; A138-Q141 PolarHBondContact O-NE2 3.49Å
142	E	85.3	Confident	88.5	Confident	44 Å²	44	78.7 Å²	78.7	21%	0.206	42%	0.421	C	S	.	.			trans	-128.6	134.7	167.3	-163.7	176.1	158.6	0	0	109	R115 K116 Y119 I144	R115-E142 IonicContact CZ-OE2 3.23Å; R115-E142 IonicContact NE-OE2 2.62Å; R115-E142 PolarHBondContact NE-OE2 3.32Å; R115-E142 IonicContact NH2-OE2 3.92Å; K116-E142 IonicContact NZ-OE1 3.79Å; K116-E142 PolarHBondContact NZ-OE1 3.19Å; K116-E142 IonicContact NZ-OE2 3.63Å; K116-E142 PolarHBondContact NZ-OE2 2.83Å; Y119-E142 VanDerWaalsContact CB-O 3.22Å; Y119-E142 WeakPolarHBondContact CB-O 2.97Å; Y119-E142 WeakPolarHBondContact CD1-O 3.42Å; Y119-E142 HydrophobicContact CD2-CB 4.08Å; Y119-E142 HydrophobicContact CG-CB 4.29Å; Y119-E142 VanDerWaalsContact CG-O 3.3Å; E142-I144 HydrophobicContact CB-CG1 4.26Å; E142-I144 HydrophobicContact CG-CD1 4.15Å; E142-I144 HydrophobicContact CG-CG1 3.7Å
143	V	84.4	Confident	88.5	Confident	114 Å²	114	81.2 Å²	81.2	69%	0.691	43%	0.434	S	S	*	.			trans	-99.3	111.1	171.2	-179.7	0	0	0	0	107.2	T123 L145	T123-V143 HydrophobicContact CG2-CG1 4.39Å; V143-L145 HydrophobicContact CG1-CD2 4.28Å
144	I	88.1	Confident	88.6	Confident	13 Å²	13	79.1 Å²	79.1	7%	0.067	42%	0.424	C	S	.	.			trans	-114.8	104	-179.3	-53.4	179.3	0	0	0	107.6	K116 L120 T123 E142	K116-I144 HydrophobicContact CD-CD1 3.86Å; L120-I144 HydrophobicContact CB-CB 4.31Å; L120-I144 HydrophobicContact CB-CD1 4.37Å; L120-I144 HydrophobicContact CB-CG2 4.22Å; L120-I144 HydrophobicContact CD1-CB 4.42Å; L120-I144 HydrophobicContact CD1-CG2 3.83Å; T123-I144 WeakPolarHBondContact CB-O 3.35Å; T123-I144 WeakPolarHBondContact CG2-O 3.13Å; E142-I144 HydrophobicContact CB-CG1 4.26Å; E142-I144 HydrophobicContact CG-CD1 4.15Å; E142-I144 HydrophobicContact CG-CG1 3.7Å
145	L	87.7	Confident	88.8	Confident	138 Å²	138	81.2 Å²	81.2	72%	0.723	44%	0.435	S	S	*	.			trans	-73.1	136.6	177.5	-61.5	176.7	0	0	0	110.3	T123 V143	T123-L145 HydrophobicContact CG2-CD2 4.32Å; V143-L145 HydrophobicContact CG1-CD2 4.28Å
146	W	90.1	Very high	89.2	Confident	21 Å²	21	81 Å²	81	8%	0.08	43%	0.432	C	S	.	.			trans	-98.3	137.9	166.6	178.5	42.7	0	0	0	108.9	E65 A68 V69 L120 A124 F125 H148	E65-W146 HydrophobicContact CB-CH2 3.52Å; E65-W146 HydrophobicContact CB-CZ3 4.01Å; E65-W146 HydrophobicContact CG-CH2 3.73Å; E65-W146 HydrophobicContact CG-CZ3 4.35Å; E65-W146 WeakPolarHBondContact OE2-CZ3 3.31Å; A68-W146 HydrophobicContact CB-CZ2 4.13Å; V69-W146 HydrophobicContact CG2-CD2 3.23Å; V69-W146 HydrophobicContact CG2-CE3 3.28Å; V69-W146 HydrophobicContact CG2-CG 3.9Å; V69-W146 HydrophobicContact CG2-CH2 3.69Å; V69-W146 HydrophobicContact CG2-CZ2 3.63Å; V69-W146 HydrophobicContact CG2-CZ3 3.5Å; L120-W146 HydrophobicContact CD1-CB 4.21Å; A124-W146 HydrophobicContact CB-CE3 4.2Å; F125-W146 HydrophobicContact CZ-CZ3 4.43Å; W146-H148 VanDerWaalsContact CE2-CA 3.46Å; W146-H148 AromaticContact CE3-CE1 3.77Å; W146-H148 AromaticContact CE3-CG 3.96Å; W146-H148 AromaticContact CE3-ND1 3.53Å; W146-H148 HydrophobicContact CH2-CB 4.46Å; W146-H148 HydrophobicContact CZ3-CB 4.45Å; W146-H148 AromaticContact CZ3-CE1 3.87Å; W146-H148 AromaticContact CZ3-ND1 3.33Å; W146-H148 VanDerWaalsContact CZ3-ND1 3.33Å; W146-H148 WeakPolarHBondContact CZ3-ND1 3.37Å; W146-H148 PolarHBondContact O-CD2 2.92Å; W146-H148 PolarHBondContact O-N 3.33Å
147	D	90.9	Very high	89.8	Confident	117 Å²	117	83.3 Å²	83.3	63%	0.626	44%	0.44	S	S	*	.			trans	-84.7	6.2	-177.4	63.7	-6	0	0	0	113.3	K149	D147-K149 PolarHBondContact O-N 3.4Å; D147-K149 VanDerWaalsContact O-N 3.12Å; D147-K149 VanDerWaalsContact OD1-CB 3.29Å; D147-K149 WeakPolarHBondContact OD1-CB 3.39Å; D147-K149 PolarHBondContact OD1-N 2.93Å
148	H	91	Very high	90.4	Very high	114 Å²	114	79.2 Å²	79.2	53%	0.528	42%	0.419	S	S	.	.			trans	57.9	17.7	-174.6	-63	-92.1	0	0	0	114	E65 W146 I150	E65-H148 IonicContact OE2-ND1 3.33Å; W146-H148 VanDerWaalsContact CE2-CA 3.46Å; W146-H148 AromaticContact CE3-CE1 3.77Å; W146-H148 AromaticContact CE3-CG 3.96Å; W146-H148 AromaticContact CE3-ND1 3.53Å; W146-H148 HydrophobicContact CH2-CB 4.46Å; W146-H148 HydrophobicContact CZ3-CB 4.45Å; W146-H148 AromaticContact CZ3-CE1 3.87Å; W146-H148 AromaticContact CZ3-ND1 3.33Å; W146-H148 VanDerWaalsContact CZ3-ND1 3.33Å; W146-H148 WeakPolarHBondContact CZ3-ND1 3.37Å; W146-H148 PolarHBondContact O-CD2 2.92Å; W146-H148 PolarHBondContact O-N 3.33Å; H148-I150 PolarHBondContact O-N 2.79Å
149	K	94.3	Very high	90.9	Very high	147 Å²	147	80.5 Å²	80.5	64%	0.639	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-83	116.9	178	-169.3	178.1	179.9	-179.1	0	110.3	D147	D147-K149 PolarHBondContact O-N 3.4Å; D147-K149 VanDerWaalsContact O-N 3.12Å; D147-K149 VanDerWaalsContact OD1-CB 3.29Å; D147-K149 WeakPolarHBondContact OD1-CB 3.39Å; D147-K149 PolarHBondContact OD1-N 2.93Å
150	I	96.4	Very high	91.4	Very high	20 Å²	20	80.9 Å²	80.9	10%	0.103	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-87.3	127.2	173	-54	177.8	0	0	0	108.7	R64 E65 A68 H148 I154 L155	R64-I150 HydrophobicContact CG-CD1 4.16Å; R64-I150 HydrophobicContact CG-CG2 4.45Å; E65-I150 HydrophobicContact CG-CD1 3.95Å; E65-I150 HydrophobicContact CG-CG1 4.5Å; A68-I150 HydrophobicContact CB-CB 4.44Å; A68-I150 HydrophobicContact CB-CG1 4.32Å; A68-I150 HydrophobicContact CB-CG2 4.18Å; H148-I150 PolarHBondContact O-N 2.79Å; I150-I154 HydrophobicContact CG2-CB 4Å; I150-I154 HydrophobicContact CG2-CG2 3.72Å; I150-L155 HydrophobicContact CB-CD2 4.03Å; I150-L155 HydrophobicContact CB-CG 4.13Å; I150-L155 HydrophobicContact CD1-CD2 4.28Å; I150-L155 HydrophobicContact CG2-CD2 3.77Å; I150-L155 HydrophobicContact CG2-CG 3.77Å
151	P	96.3	Very high	91.8	Very high	49 Å²	49	81 Å²	81	32%	0.318	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-58	144.6	173.9	-29	38.3	0	0	0	113.9	D153 I154 L155	P151-D153 VanDerWaalsContact C-N 3.3Å; P151-D153 WeakPolarHBondContact CB-OD1 3.37Å; P151-D153 PolarHBondContact O-N 2.94Å; P151-I154 HydrophobicContact CB-CD1 4.24Å; P151-I154 HydrophobicContact CG-CD1 4.03Å; P151-I154 PolarHBondContact O-N 2.95Å; P151-I154 VanDerWaalsContact O-N 3.11Å; P151-L155 PolarHBondContact O-N 3.2Å
152	E	96.1	Very high	92.4	Very high	149 Å²	149	79.1 Å²	79.1	70%	0.696	41%	0.406	S	S	*	.	H	α-helix	trans	-61.7	-33.5	-177.8	-69.2	-62.9	155.3	0	0	113.5	I154 L155 K156	E152-I154 VanDerWaalsContact C-N 3.34Å; E152-L155 PolarHBondContact O-N 3.2Å; E152-K156 WeakPolarHBondContact O-CB 3.41Å; E152-K156 PolarHBondContact O-N 2.85Å
153	D	95.6	Very high	93	Very high	76 Å²	76	83.2 Å²	83.2	41%	0.406	43%	0.425	S	S	.	.	H	α-helix	trans	-65.7	-38.1	175.6	65.5	-41.6	0	0	0	111.6	P151 E157 W217	P151-D153 VanDerWaalsContact C-N 3.3Å; P151-D153 WeakPolarHBondContact CB-OD1 3.37Å; P151-D153 PolarHBondContact O-N 2.94Å; D153-E157 PolarHBondContact O-N 3Å; D153-W217 PolarHBondContact OD2-NE1 3.22Å
154	I	97.5	Very high	93.6	Very high	0 Å²	0	78.5 Å²	78.5	0%	0	40%	0.397	C	S	.	.	H	α-helix	trans	-67.8	-45.4	172.4	-69.2	165.6	0	0	0	110.7	R64 L67 A68 V71 I150 P151 E152 K156 E157 V158 W217	R64-I154 HydrophobicContact CG-CG2 4.09Å; L67-I154 HydrophobicContact CD2-CG1 4.34Å; L67-I154 HydrophobicContact CD2-CG2 3.96Å; L67-I154 HydrophobicContact CG-CD1 4.23Å; L67-I154 HydrophobicContact CG-CG2 4.48Å; A68-I154 HydrophobicContact CB-CD1 4.16Å; V71-I154 HydrophobicContact CG2-CD1 4.25Å; I150-I154 HydrophobicContact CG2-CB 4Å; I150-I154 HydrophobicContact CG2-CG2 3.72Å; P151-I154 HydrophobicContact CB-CD1 4.24Å; P151-I154 HydrophobicContact CG-CD1 4.03Å; P151-I154 PolarHBondContact O-N 2.95Å; P151-I154 VanDerWaalsContact O-N 3.11Å; E152-I154 VanDerWaalsContact C-N 3.34Å; I154-K156 PolarHBondContact O-N 3.2Å; I154-E157 PolarHBondContact O-N 3.26Å; I154-V158 HydrophobicContact CG2-CB 4.43Å; I154-V158 HydrophobicContact CG2-CG2 4.48Å; I154-V158 WeakPolarHBondContact O-CA 3.14Å; I154-V158 WeakPolarHBondContact O-CB 3.13Å; I154-V158 PolarHBondContact O-N 2.89Å; I154-W217 HydrophobicContact CB-CZ2 4.41Å; I154-W217 HydrophobicContact CG1-CD2 4.45Å; I154-W217 HydrophobicContact CG1-CH2 4.03Å; I154-W217 HydrophobicContact CG1-CZ2 3.61Å
155	L	96.7	Very high	94	Very high	55 Å²	55	80.8 Å²	80.8	29%	0.288	41%	0.413	S	S	.	.	H	α-helix	trans	-60.1	-34.5	178.8	-71.2	173.6	0	0	0	112.6	I150 P151 E152	I150-L155 HydrophobicContact CB-CD2 4.03Å; I150-L155 HydrophobicContact CB-CG 4.13Å; I150-L155 HydrophobicContact CD1-CD2 4.28Å; I150-L155 HydrophobicContact CG2-CD2 3.77Å; I150-L155 HydrophobicContact CG2-CG 3.77Å; P151-L155 PolarHBondContact O-N 3.2Å; E152-L155 PolarHBondContact O-N 3.2Å
156	K	96.4	Very high	94.5	Very high	160 Å²	160	74.4 Å²	74.4	70%	0.696	38%	0.379	S	S	*	.	H	α-helix	trans	-68.9	-43.4	179.2	-176.3	-177.7	176.1	-172.2	0	112.9	E152 I154	E152-K156 WeakPolarHBondContact O-CB 3.41Å; E152-K156 PolarHBondContact O-N 2.85Å; I154-K156 PolarHBondContact O-N 3.2Å
157	E	95.8	Very high	94.8	Very high	84 Å²	84	80 Å²	80	39%	0.393	41%	0.406	S	S	.	.	H	α-helix	trans	-85.2	-39.2	-178.5	-59.8	-65.1	145.6	0	0	111.6	D153 I154 W217	D153-E157 PolarHBondContact O-N 3Å; I154-E157 PolarHBondContact O-N 3.26Å; E157-W217 HydrophobicContact CB-CH2 3.79Å; E157-W217 HydrophobicContact CB-CZ3 4.37Å; E157-W217 HydrophobicContact CG-CH2 3.89Å
158	V	94.6	Very high	95.1	Very high	3 Å²	3	75 Å²	75	2%	0.018	38%	0.381	C	S	.	.			trans	-105.4	79	-179.4	-170.3	0	0	0	0	109.5	R64 L67 I154 T160 W217 M219	R64-V158 HydrophobicContact CB-CG1 4.11Å; R64-V158 WeakPolarHBondContact CD-O 3.49Å; R64-V158 HydrophobicContact CG-CB 4.18Å; R64-V158 HydrophobicContact CG-CG1 3.87Å; L67-V158 HydrophobicContact CD2-CG2 4.05Å; I154-V158 HydrophobicContact CG2-CB 4.43Å; I154-V158 HydrophobicContact CG2-CG2 4.48Å; I154-V158 WeakPolarHBondContact O-CA 3.14Å; I154-V158 WeakPolarHBondContact O-CB 3.13Å; I154-V158 PolarHBondContact O-N 2.89Å; V158-T160 PolarHBondContact O-N 2.84Å; V158-W217 HydrophobicContact CG2-CZ3 4.38Å; V158-M219 HydrophobicContact CG1-SD 3.69Å; V158-M219 HydrophobicContact CG2-CB 4.41Å; V158-M219 HydrophobicContact CG2-SD 4.25Å
159	T	89.8	Confident	95.4	Very high	99 Å²	99	69.6 Å²	69.6	61%	0.607	36%	0.356	S	S	*	.			trans	-72.4	-30.6	-172.4	56.5	0	0	0	0	113.7	R64	R64-T159 PolarHBondContact NH1-O 2.69Å
160	T	89.4	Confident	95.6	Very high	102 Å²	102	63.3 Å²	63.3	63%	0.626	33%	0.33	S	S	*	.	S	Bend	trans	-113.6	124.6	-173.2	-51.3	0	0	0	0	110.5	V158	V158-T160 PolarHBondContact O-N 2.84Å
161	P	89.7	Confident	95.7	Very high	66 Å²	66	62.4 Å²	62.4	43%	0.429	33%	0.325	S	S	.	.			trans	-53.3	147.3	168.8	-25.8	34.2	0	0	0	111.9
162	K	94.4	Very high	95.8	Very high	91 Å²	91	60.2 Å²	60.2	40%	0.396	31%	0.311	S	S	.	.			trans	-135.7	104.7	174	-177.1	173.3	176	178.8	0	109.2	D62 L63 M219	D62-K162 PolarHBondContact OD1-N 2.86Å; D62-K162 VanDerWaalsContact OD1-N 3.12Å; L63-K162 HydrophobicContact CB-CB 4.46Å; L63-K162 HydrophobicContact CD1-CB 4.36Å; L63-K162 HydrophobicContact CD1-CD 4Å; L63-K162 HydrophobicContact CD1-CG 4.07Å; L63-K162 WeakPolarHBondContact CG-O 3.39Å; L63-K162 PolarHBondContact N-O 3.42Å; K162-M219 HydrophobicContact CB-CE 4.05Å; K162-M219 HydrophobicContact CD-CE 4.07Å
163	E	96.8	Very high	95.9	Very high	129 Å²	129	53.1 Å²	53.1	60%	0.603	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	137.8	176.9	-64.6	-165.3	116.6	0	0	111.5	T60 V61	T60-E163 PolarHBondContact OG1-OE1 3.27Å; V61-E163 WeakPolarHBondContact O-CA 3.15Å
164	V	97.4	Very high	96.1	Very high	15 Å²	15	49.6 Å²	49.6	9%	0.091	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	153.7	171.4	-63	0	0	0	0	109.8	T60 V61 L63 A166 V169 V198	T60-V164 CarbonylContact C-O 3.46Å; T60-V164 WeakPolarHBondContact CA-O 3.5Å; V61-V164 HydrophobicContact CB-CG2 4.27Å; V61-V164 PolarHBondContact N-O 3.04Å; V61-V164 PolarHBondContact O-N 2.82Å; L63-V164 HydrophobicContact CD1-CG1 3.93Å; L63-V164 HydrophobicContact CD1-CG2 4.47Å; L63-V164 HydrophobicContact CD2-CG2 3.86Å; L63-V164 HydrophobicContact CG-CG1 4.31Å; L63-V164 HydrophobicContact CG-CG2 4.07Å; V164-A166 PolarHBondContact O-N 3.2Å; V164-V169 HydrophobicContact CG2-CG2 3.51Å; V164-V198 HydrophobicContact CB-CG1 4.46Å; V164-V198 HydrophobicContact CG1-CG1 4.3Å; V164-V198 HydrophobicContact CG2-CG2 4.34Å
165	P	97.8	Very high	96.1	Very high	62 Å²	62	49.6 Å²	49.6	40%	0.403	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	132.5	174.7	-19.2	31.2	0	0	0	110.8	E167 S168	P165-E167 HydrophobicContact CB-CG 4.43Å; P165-E167 WeakPolarHBondContact CB-OE1 3.25Å; P165-E167 VanDerWaalsContact CB-OE2 3.31Å; P165-E167 WeakPolarHBondContact CB-OE2 3.41Å; P165-E167 PolarHBondContact O-N 3.49Å; P165-S168 WeakPolarHBondContact O-CB 3.33Å; P165-S168 PolarHBondContact O-N 2.9Å; P165-S168 PolarHBondContact O-OG 2.83Å
166	A	97.3	Very high	96.2	Very high	3 Å²	3	47 Å²	47	3%	0.025	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-59	-34.9	-176.2	0	0	0	0	0	112.6	G59 V61 S127 V128 V164 S168 V169	G59-A166 WeakPolarHBondContact O-CB 3.14Å; G59-A166 PolarHBondContact O-N 3.24Å; V61-A166 HydrophobicContact CG2-CB 3.86Å; S127-A166 WeakPolarHBondContact OG-CB 3.47Å; V128-A166 HydrophobicContact CG2-CB 4.27Å; V164-A166 PolarHBondContact O-N 3.2Å; A166-S168 PolarHBondContact O-N 3.02Å; A166-V169 WeakPolarHBondContact O-CB 2.98Å; A166-V169 PolarHBondContact O-N 2.99Å
167	E	96.4	Very high	96.2	Very high	138 Å²	138	39.9 Å²	39.9	65%	0.645	22%	0.215	S	C	*	.	G	3₁₀ helix	trans	-66.5	-18.7	177.8	71.7	-83.2	-168.3	0	0	113.6	P165 V169	P165-E167 HydrophobicContact CB-CG 4.43Å; P165-E167 WeakPolarHBondContact CB-OE1 3.25Å; P165-E167 VanDerWaalsContact CB-OE2 3.31Å; P165-E167 WeakPolarHBondContact CB-OE2 3.41Å; P165-E167 PolarHBondContact O-N 3.49Å; E167-V169 VanDerWaalsContact C-N 3.3Å
168	S	96.9	Very high	96.2	Very high	13 Å²	13	36.4 Å²	36.4	9%	0.091	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-83.7	-9.2	175.2	75.2	0	0	0	0	113	P165 A166 V198 N199	P165-S168 WeakPolarHBondContact O-CB 3.33Å; P165-S168 PolarHBondContact O-N 2.9Å; P165-S168 PolarHBondContact O-OG 2.83Å; A166-S168 PolarHBondContact O-N 3.02Å; S168-V198 CarbonylContact O-C 3.53Å; S168-V198 WeakPolarHBondContact O-CA 3.43Å; S168-N199 WeakPolarHBondContact CB-OD1 3.36Å; S168-N199 PolarHBondContact O-N 3.29Å
169	V	98.3	Very high	96.3	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.7	-172.6	-175.3	0	0	0	0	111	V61 M66 V128 V164 A166 E167 V171 V196 A197	V61-V169 HydrophobicContact CB-CG2 4.43Å; V61-V169 HydrophobicContact CG2-CG2 4.44Å; M66-V169 HydrophobicContact CE-CG1 4.41Å; V128-V169 HydrophobicContact CG1-CB 4.09Å; V128-V169 HydrophobicContact CG1-CG1 3.69Å; V128-V169 HydrophobicContact CG2-CB 4.26Å; V128-V169 HydrophobicContact CG2-CG1 4.35Å; V164-V169 HydrophobicContact CG2-CG2 3.51Å; A166-V169 WeakPolarHBondContact O-CB 2.98Å; A166-V169 PolarHBondContact O-N 2.99Å; E167-V169 VanDerWaalsContact C-N 3.3Å; V169-V171 HydrophobicContact CG1-CG2 4.5Å; V169-V196 HydrophobicContact CG1-CG1 3.5Å; V169-V196 VanDerWaalsContact CG1-CG1 3.5Å; V169-A197 WeakPolarHBondContact CA-O 3.38Å
170	T	98.1	Very high	96.5	Very high	15 Å²	15	34.7 Å²	34.7	9%	0.092	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.2	168.1	-51.9	0	0	0	0	109.4	Q129 W172 A197	Q129-T170 HydrophobicContact CB-CG2 4.5Å; Q129-T170 HydrophobicContact CG-CG2 4.2Å; Q129-T170 WeakPolarHBondContact O-CA 3.13Å; T170-W172 HydrophobicContact CG2-CZ2 4.41Å; T170-A197 PolarHBondContact N-O 3.45Å; T170-A197 PolarHBondContact O-N 3.31Å
171	V	98.6	Very high	96.8	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	135.2	173.6	-178.1	0	0	0	0	109.2	M66 L121 V128 Q129 I130 N131 V169 I173 V194 C195 V196	M66-V171 HydrophobicContact CE-CG2 4.47Å; M66-V171 HydrophobicContact SD-CG2 4.26Å; L121-V171 HydrophobicContact CD1-CG1 4.07Å; V128-V171 HydrophobicContact CG1-CG2 3.71Å; Q129-V171 PolarHBondContact O-N 3.04Å; I130-V171 HydrophobicContact CG1-CB 4.17Å; I130-V171 HydrophobicContact CG2-CB 4.37Å; I130-V171 HydrophobicContact CG2-CG1 4.45Å; N131-V171 PolarHBondContact N-O 2.85Å; V169-V171 HydrophobicContact CG1-CG2 4.5Å; V171-I173 HydrophobicContact CG1-CG1 4.19Å; V171-V194 HydrophobicContact CG1-CG1 3.81Å; V171-C195 CarbonylContact C-O 3.58Å; V171-C195 VanDerWaalsContact CA-O 3.26Å; V171-C195 WeakPolarHBondContact CA-O 3.47Å; V171-V196 HydrophobicContact CG2-CG2 4.22Å
172	W	98.5	Very high	97.1	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.008	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.5	172.5	-63.2	85.5	0	0	0	109.7	N131 T170 V194 C195 K298 W299 C302 Y325	N131-W172 HydrophobicContact CB-CD2 4.01Å; N131-W172 HydrophobicContact CB-CE3 3.56Å; N131-W172 HydrophobicContact CB-CH2 4.16Å; N131-W172 HydrophobicContact CB-CZ3 3.64Å; N131-W172 WeakPolarHBondContact ND2-CH2 3.38Å; N131-W172 WeakPolarHBondContact ND2-CZ2 3.45Å; N131-W172 CarbonylContact O-C 3.45Å; N131-W172 VanDerWaalsContact O-CA 3.28Å; N131-W172 WeakPolarHBondContact O-CA 3.23Å; T170-W172 HydrophobicContact CG2-CZ2 4.41Å; W172-V194 WeakPolarHBondContact O-CA 3.14Å; W172-C195 HydrophobicContact CB-CB 4.2Å; W172-C195 PolarHBondContact N-O 3.08Å; W172-C195 PolarHBondContact O-N 3.31Å; W172-K298 HydrophobicContact CD2-CB 4.02Å; W172-K298 HydrophobicContact CE3-CB 3.81Å; W172-K298 HydrophobicContact CH2-CB 3.94Å; W172-K298 HydrophobicContact CH2-CD 3.74Å; W172-K298 HydrophobicContact CH2-CG 4.46Å; W172-K298 HydrophobicContact CZ2-CB 4.15Å; W172-K298 HydrophobicContact CZ2-CD 3.71Å; W172-K298 HydrophobicContact CZ3-CB 3.77Å; W172-K298 HydrophobicContact CZ3-CD 4.42Å; W172-W299 HydrophobicContact CB-CB 4.45Å; W172-W299 HydrophobicContact CE3-CB 4.46Å; W172-W299 AromaticContact CE3-CE3 3.88Å; W172-W299 HydrophobicContact CE3-CE3 3.88Å; W172-W299 AromaticContact CZ3-CE3 3.81Å; W172-W299 HydrophobicContact CZ3-CE3 3.81Å; W172-W299 HydrophobicContact CZ3-CZ3 4.19Å; W172-C302 HydrophobicContact CB-CB 4.32Å; W172-C302 HydrophobicContact CG-CB 4.47Å; W172-Y325 WeakPolarHBondContact CZ2-O 3.3Å; W172-Y325 PolarHBondContact NE1-O 2.6Å
173	I	98.5	Very high	97.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.2	179.8	-62.4	171.2	0	0	0	109.4	M117 F118 L121 I130 N131 T132 E133 V171 P175 W299	M117-I173 HydrophobicContact CB-CD1 4.24Å; M117-I173 HydrophobicContact CB-CG2 4.15Å; M117-I173 HydrophobicContact CE-CG2 3.62Å; M117-I173 HydrophobicContact SD-CG2 4.05Å; F118-I173 HydrophobicContact CB-CD1 4.47Å; L121-I173 HydrophobicContact CD1-CD1 3.63Å; L121-I173 HydrophobicContact CD1-CG1 4.09Å; I130-I173 HydrophobicContact CG2-CD1 3.55Å; I130-I173 HydrophobicContact CG2-CG1 4.23Å; N131-I173 PolarHBondContact O-N 3.25Å; T132-I173 WeakPolarHBondContact CA-O 3.28Å; E133-I173 PolarHBondContact N-O 2.83Å; V171-I173 HydrophobicContact CG1-CG1 4.19Å; I173-P175 HydrophobicContact CG2-CB 4.32Å; I173-W299 WeakPolarHBondContact O-CB 3.18Å
174	D	98.5	Very high	97	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.011	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	106.7	158.3	-177.1	-23.8	0	0	0	106.9	L176 D177 M193 W299	D174-L176 VanDerWaalsContact C-N 3.3Å; D174-L176 PolarHBondContact O-N 2.87Å; D174-L176 PolarHBondContact OD1-N 3.44Å; D174-D177 PolarHBondContact OD1-N 3.48Å; D174-D177 WeakPolarHBondContact OD2-CB 3.48Å; D174-M193 HydrophobicContact CB-CB 4.19Å; D174-M193 HydrophobicContact CB-CE 3.6Å; D174-M193 PolarHBondContact N-O 3.03Å; D174-M193 VanDerWaalsContact N-O 3.09Å; D174-M193 PolarHBondContact O-N 3.39Å; D174-M193 WeakPolarHBondContact OD2-CE 3.2Å; D174-W299 HydrophobicContact CB-CB 4.19Å
175	P	98.2	Very high	97	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	-18.5	-173	32.2	-34.4	0	0	0	113.1	S113 N114 M117 E134 I173 T192	S113-P175 VanDerWaalsContact CB-O 3.22Å; S113-P175 WeakPolarHBondContact CB-O 3.5Å; S113-P175 PolarHBondContact OG-O 3.49Å; N114-P175 HydrophobicContact CB-CB 3.72Å; N114-P175 HydrophobicContact CB-CG 3.89Å; M117-P175 HydrophobicContact SD-CB 4.25Å; E134-P175 HydrophobicContact CB-CG 4.3Å; E134-P175 HydrophobicContact CG-CG 3.68Å; I173-P175 HydrophobicContact CG2-CB 4.32Å; P175-T192 WeakPolarHBondContact O-CG2 3.48Å
176	L	98.4	Very high	96.9	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161	90.6	176.9	-164.5	173.4	0	0	0	108.8	V81 D110 D174 T179 Y182 V190	V81-L176 HydrophobicContact CG1-CD1 3.99Å; V81-L176 HydrophobicContact CG1-CG 4.06Å; V81-L176 HydrophobicContact CG2-CB 4.22Å; V81-L176 HydrophobicContact CG2-CD1 3.99Å; V81-L176 HydrophobicContact CG2-CG 3.95Å; D110-L176 HydrophobicContact CB-CB 4.38Å; D174-L176 VanDerWaalsContact C-N 3.3Å; D174-L176 PolarHBondContact O-N 2.87Å; D174-L176 PolarHBondContact OD1-N 3.44Å; L176-T179 PolarHBondContact O-OG1 3.36Å; L176-Y182 HydrophobicContact CD1-CD1 3.86Å; L176-Y182 HydrophobicContact CD1-CD2 4.24Å; L176-Y182 HydrophobicContact CD1-CE1 3.96Å; L176-Y182 HydrophobicContact CD1-CE2 4.31Å; L176-Y182 HydrophobicContact CD1-CG 4.01Å; L176-Y182 HydrophobicContact CD2-CD2 4.48Å; L176-Y182 HydrophobicContact CD2-CG 4.07Å; L176-V190 HydrophobicContact CD2-CG1 4.03Å; L176-V190 HydrophobicContact CG-CG1 4.33Å
177	D	97.9	Very high	96.9	Very high	12 Å²	12	28 Å²	28	6%	0.064	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	138	173	177	36.3	0	0	0	109.4	D174 V190 T191 M193 G268 A269 G270	D174-D177 PolarHBondContact OD1-N 3.48Å; D174-D177 WeakPolarHBondContact OD2-CB 3.48Å; D177-V190 WeakPolarHBondContact O-CA 3.45Å; D177-T191 WeakPolarHBondContact CB-OG1 3.4Å; D177-T191 PolarHBondContact N-O 2.96Å; D177-T191 PolarHBondContact O-N 3.24Å; D177-T191 PolarHBondContact OD2-OG1 3.35Å; D177-T191 VanDerWaalsContact OD2-OG1 3.1Å; D177-M193 HydrophobicContact CB-CE 3.8Å; D177-G268 VanDerWaalsContact CG-CA 3.47Å; D177-G268 VanDerWaalsContact OD1-CA 3.24Å; D177-G268 WeakPolarHBondContact OD1-CA 3.42Å; D177-G268 WeakPolarHBondContact OD2-CA 3.32Å; D177-A269 VanDerWaalsContact CG-N 3.29Å; D177-A269 PolarHBondContact OD1-N 3.04Å; D177-A269 PolarHBondContact OD2-N 2.78Å; D177-G270 PolarHBondContact OD2-N 3.46Å
178	A	95.9	Very high	96.9	Very high	10 Å²	10	24.8 Å²	24.8	8%	0.083	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	44	-175.6	0	0	0	0	0	115.1	Q180 E181 Y182	A178-Q180 PolarHBondContact O-N 3Å; A178-E181 HydrophobicContact CB-CB 3.93Å; A178-E181 HydrophobicContact CB-CG 4.37Å; A178-E181 WeakPolarHBondContact O-CB 3.39Å; A178-E181 PolarHBondContact O-N 3.32Å; A178-Y182 WeakPolarHBondContact O-CB 3.43Å; A178-Y182 PolarHBondContact O-N 3.44Å
179	T	95.6	Very high	97	Very high	13 Å²	13	25 Å²	25	8%	0.08	12%	0.12	C	C	.	.	H	α-helix	trans	-52.8	-38.2	176.9	-43.2	0	0	0	0	113	K105 T107 D110 L176 Y182 T183	K105-T179 HydrophobicContact CB-CG2 4.11Å; K105-T179 WeakPolarHBondContact O-CG2 3.44Å; T107-T179 HydrophobicContact CG2-CG2 4.04Å; D110-T179 VanDerWaalsContact OD1-CG2 3.27Å; D110-T179 WeakPolarHBondContact OD1-CG2 3.5Å; D110-T179 PolarHBondContact OD1-OG1 2.97Å; L176-T179 PolarHBondContact O-OG1 3.36Å; T179-Y182 WeakPolarHBondContact O-CB 3.43Å; T179-Y182 PolarHBondContact O-N 3.26Å; T179-T183 VanDerWaalsContact O-CG2 3.31Å; T179-T183 WeakPolarHBondContact O-CG2 3.16Å; T179-T183 PolarHBondContact O-N 2.86Å
180	Q	93.6	Very high	97	Very high	54 Å²	54	25 Å²	25	25%	0.252	12%	0.12	S	C	.	.	H	α-helix	trans	-57.4	-56.9	173.5	178.9	64.9	39.2	0	0	111.5	K105 A178 Y182 T183 E184	K105-Q180 VanDerWaalsContact CD-OE1 3.24Å; A178-Q180 PolarHBondContact O-N 3Å; Q180-Y182 PolarHBondContact O-N 3.47Å; Q180-T183 PolarHBondContact O-N 2.91Å; Q180-T183 VanDerWaalsContact O-N 3.12Å; Q180-T183 PolarHBondContact O-OG1 2.77Å; Q180-E184 PolarHBondContact NE2-OE1 2.98Å; Q180-E184 WeakPolarHBondContact O-CG 3.43Å; Q180-E184 PolarHBondContact O-N 2.97Å
181	E	95.7	Very high	97	Very high	7 Å²	7	24.3 Å²	24.3	3%	0.033	12%	0.116	C	C	.	.	H	α-helix	trans	-59	-36.4	176.6	-79.9	65.7	-148.6	0	0	112.6	A178 E184 D185 L186 Y189 R243 S244	A178-E181 HydrophobicContact CB-CB 3.93Å; A178-E181 HydrophobicContact CB-CG 4.37Å; A178-E181 WeakPolarHBondContact O-CB 3.39Å; A178-E181 PolarHBondContact O-N 3.32Å; E181-E184 CarbonylContact O-C 3.54Å; E181-E184 PolarHBondContact O-N 2.98Å; E181-D185 PolarHBondContact O-N 3.45Å; E181-L186 HydrophobicContact CB-CB 4.01Å; E181-L186 HydrophobicContact CG-CB 4.28Å; E181-L186 HydrophobicContact CG-CD1 4.3Å; E181-L186 PolarHBondContact O-N 3.06Å; E181-Y189 HydrophobicContact CB-CD2 4.02Å; E181-Y189 HydrophobicContact CB-CG 4.49Å; E181-Y189 HydrophobicContact CG-CD2 3.4Å; E181-Y189 HydrophobicContact CG-CE2 4.15Å; E181-Y189 HydrophobicContact CG-CG 3.98Å; E181-R243 IonicContact OE1-CZ 3.82Å; E181-R243 IonicContact OE1-NH1 2.75Å; E181-R243 PolarHBondContact OE1-NH1 2.8Å; E181-S244 PolarHBondContact OE1-OG 3.28Å
182	Y	96.8	Very high	97	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.008	12%	0.116	C	C	.	.	H	α-helix	trans	-61.3	-42.3	175.4	175.1	-100.7	0	0	0	111.4	V81 V84 R85 L90 T107 L176 A178 T179 Q180 E184 D185 V190 F211	V81-Y182 HydrophobicContact CG1-CD2 3.98Å; V81-Y182 HydrophobicContact CG1-CE2 3.51Å; V81-Y182 PolarHBondContact O-OH 3.24Å; V81-Y182 VanDerWaalsContact O-OH 3.06Å; V84-Y182 WeakPolarHBondContact CB-OH 3.41Å; V84-Y182 WeakPolarHBondContact CG1-OH 3.04Å; R85-Y182 WeakPolarHBondContact CA-OH 3.23Å; R85-Y182 HydrophobicContact CB-CE2 3.6Å; R85-Y182 HydrophobicContact CG-CE2 3.99Å; R85-Y182 PolarHBondContact N-OH 2.79Å; R85-Y182 PolarHBondContact NH1-O 2.81Å; L90-Y182 HydrophobicContact CD2-CE1 3.8Å; T107-Y182 HydrophobicContact CG2-CD1 4.1Å; T107-Y182 HydrophobicContact CG2-CE1 4.07Å; T107-Y182 WeakPolarHBondContact OG1-CE1 3.47Å; L176-Y182 HydrophobicContact CD1-CD1 3.86Å; L176-Y182 HydrophobicContact CD1-CD2 4.24Å; L176-Y182 HydrophobicContact CD1-CE1 3.96Å; L176-Y182 HydrophobicContact CD1-CE2 4.31Å; L176-Y182 HydrophobicContact CD1-CG 4.01Å; L176-Y182 HydrophobicContact CD2-CD2 4.48Å; L176-Y182 HydrophobicContact CD2-CG 4.07Å; A178-Y182 WeakPolarHBondContact O-CB 3.43Å; A178-Y182 PolarHBondContact O-N 3.44Å; T179-Y182 WeakPolarHBondContact O-CB 3.43Å; T179-Y182 PolarHBondContact O-N 3.26Å; Q180-Y182 PolarHBondContact O-N 3.47Å; Y182-E184 VanDerWaalsContact C-N 3.27Å; Y182-E184 PolarHBondContact O-N 3.1Å; Y182-D185 PolarHBondContact O-N 3.23Å; Y182-V190 HydrophobicContact CD2-CG1 4.15Å; Y182-V190 HydrophobicContact CD2-CG2 4.01Å; Y182-V190 HydrophobicContact CG-CG2 4.43Å; Y182-F211 HydrophobicContact CD2-CE2 4.37Å; Y182-F211 HydrophobicContact CD2-CZ 4.37Å; Y182-F211 HydrophobicContact CE2-CE2 4.47Å; Y182-F211 HydrophobicContact CE2-CZ 4.08Å
183	T	94.8	Very high	97	Very high	20 Å²	20	24.2 Å²	24.2	12%	0.123	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-33.4	174.9	66.3	0	0	0	0	112.5	R85 E92 K105 T107 T179 Q180 D185	R85-T183 PolarHBondContact NH1-O 2.63Å; R85-T183 VanDerWaalsContact NH1-O 3.11Å; E92-T183 HydrophobicContact CG-CG2 4.25Å; K105-T183 HydrophobicContact CD-CG2 3.98Å; K105-T183 PolarHBondContact NZ-OG1 3.2Å; T107-T183 HydrophobicContact CG2-CG2 3.95Å; T179-T183 VanDerWaalsContact O-CG2 3.31Å; T179-T183 WeakPolarHBondContact O-CG2 3.16Å; T179-T183 PolarHBondContact O-N 2.86Å; Q180-T183 PolarHBondContact O-N 2.91Å; Q180-T183 VanDerWaalsContact O-N 3.12Å; Q180-T183 PolarHBondContact O-OG1 2.77Å; T183-D185 VanDerWaalsContact C-N 3.3Å; T183-D185 PolarHBondContact O-N 3.15Å
184	E	94.6	Very high	97.1	Very high	73 Å²	73	24.2 Å²	24.2	34%	0.341	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.4	5.6	-178.5	-62.5	168.9	168.5	0	0	114.7	Q180 E181 Y182 L186 R243	Q180-E184 PolarHBondContact NE2-OE1 2.98Å; Q180-E184 WeakPolarHBondContact O-CG 3.43Å; Q180-E184 PolarHBondContact O-N 2.97Å; E181-E184 CarbonylContact O-C 3.54Å; E181-E184 PolarHBondContact O-N 2.98Å; Y182-E184 VanDerWaalsContact C-N 3.27Å; Y182-E184 PolarHBondContact O-N 3.1Å; E184-L186 VanDerWaalsContact C-N 3.26Å; E184-L186 HydrophobicContact CB-CD1 4.19Å; E184-L186 HydrophobicContact CB-CG 4.07Å; E184-L186 PolarHBondContact O-N 3.06Å; E184-L186 VanDerWaalsContact OE2-CD1 3.3Å; E184-L186 WeakPolarHBondContact OE2-CD1 3.45Å; E184-R243 VanDerWaalsContact CD-NH2 3.33Å; E184-R243 IonicContact OE1-NH2 3.23Å; E184-R243 PolarHBondContact OE1-NH2 2.94Å; E184-R243 IonicContact OE2-CZ 3.01Å; E184-R243 IonicContact OE2-NH1 2.74Å; E184-R243 PolarHBondContact OE2-NH1 2.8Å; E184-R243 IonicContact OE2-NH2 3.32Å; E184-R243 PolarHBondContact OE2-NH2 2.73Å
185	D	95.8	Very high	97.1	Very high	68 Å²	68	24.2 Å²	24.2	36%	0.364	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	19.2	-172.7	-144.6	23.2	0	0	0	115.9	R85 E181 Y182 T183 R187	R85-D185 IonicContact CZ-OD1 3.22Å; R85-D185 IonicContact NE-OD1 3.72Å; R85-D185 PolarHBondContact NE-OD1 3.32Å; R85-D185 VanDerWaalsContact NH2-CA 3.25Å; R85-D185 IonicContact NH2-OD1 3.17Å; R85-D185 PolarHBondContact NH2-OD1 3.47Å; R85-D185 IonicContact NH2-OD2 3.33Å; E181-D185 PolarHBondContact O-N 3.45Å; Y182-D185 PolarHBondContact O-N 3.23Å; T183-D185 VanDerWaalsContact C-N 3.3Å; T183-D185 PolarHBondContact O-N 3.15Å; D185-R187 PolarHBondContact O-N 3.06Å; D185-R187 IonicContact OD1-CZ 3.8Å; D185-R187 IonicContact OD1-NE 3.74Å; D185-R187 PolarHBondContact OD1-NE 3.3Å; D185-R187 IonicContact OD1-NH2 2.65Å; D185-R187 PolarHBondContact OD1-NH2 2.81Å; D185-R187 IonicContact OD2-CZ 2.72Å; D185-R187 IonicContact OD2-NE 3.6Å; D185-R187 IonicContact OD2-NH2 3.18Å; D185-R187 PolarHBondContact OD2-NH2 2.91Å
186	L	96.6	Very high	97.1	Very high	61 Å²	61	24.2 Å²	24.2	32%	0.319	12%	0.116	S	C	.	.			trans	-86	60.4	179	-58.9	176.5	0	0	0	111.1	E181 E184 K188 Y189	E181-L186 HydrophobicContact CB-CB 4.01Å; E181-L186 HydrophobicContact CG-CB 4.28Å; E181-L186 HydrophobicContact CG-CD1 4.3Å; E181-L186 PolarHBondContact O-N 3.06Å; E184-L186 VanDerWaalsContact C-N 3.26Å; E184-L186 HydrophobicContact CB-CD1 4.19Å; E184-L186 HydrophobicContact CB-CG 4.07Å; E184-L186 PolarHBondContact O-N 3.06Å; E184-L186 VanDerWaalsContact OE2-CD1 3.3Å; E184-L186 WeakPolarHBondContact OE2-CD1 3.45Å; L186-K188 PolarHBondContact O-N 3.44Å; L186-Y189 HydrophobicContact CB-CD2 3.78Å; L186-Y189 HydrophobicContact CB-CE2 4.16Å; L186-Y189 HydrophobicContact CD1-CD2 4.5Å; L186-Y189 HydrophobicContact CD1-CE2 4.27Å; L186-Y189 PolarHBondContact O-N 3.01Å; L186-Y189 VanDerWaalsContact O-N 3.13Å
187	R	96.9	Very high	97.1	Very high	95 Å²	95	24.2 Å²	24.2	36%	0.358	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-49.6	-32	-172.6	-65.2	177.8	-160.7	-170.7	6.1	115.2	D185 Y189 V190 F211	D185-R187 PolarHBondContact O-N 3.06Å; D185-R187 IonicContact OD1-CZ 3.8Å; D185-R187 IonicContact OD1-NE 3.74Å; D185-R187 PolarHBondContact OD1-NE 3.3Å; D185-R187 IonicContact OD1-NH2 2.65Å; D185-R187 PolarHBondContact OD1-NH2 2.81Å; D185-R187 IonicContact OD2-CZ 2.72Å; D185-R187 IonicContact OD2-NE 3.6Å; D185-R187 IonicContact OD2-NH2 3.18Å; D185-R187 PolarHBondContact OD2-NH2 2.91Å; R187-Y189 PolarHBondContact O-N 3.05Å; R187-V190 PolarHBondContact O-N 3.11Å; R187-F211 HydrophobicContact CB-CB 3.99Å; R187-F211 HydrophobicContact CB-CD1 4.17Å; R187-F211 HydrophobicContact CB-CD2 3.58Å; R187-F211 HydrophobicContact CB-CE2 4.07Å; R187-F211 HydrophobicContact CB-CG 3.64Å; R187-F211 HydrophobicContact CG-CD1 4Å; R187-F211 HydrophobicContact CG-CD2 4.01Å; R187-F211 HydrophobicContact CG-CE1 4.05Å; R187-F211 HydrophobicContact CG-CE2 4.06Å; R187-F211 HydrophobicContact CG-CG 3.97Å; R187-F211 HydrophobicContact CG-CZ 4.08Å; R187-F211 WeakPolarHBondContact O-CD2 3.39Å
188	K	97.3	Very high	97.1	Very high	71 Å²	71	24.4 Å²	24.4	31%	0.309	12%	0.117	S	C	.	.	G	3₁₀ helix	trans	-61	-26.5	-177.6	66.5	168.1	-176.3	150.4	0	113.7	L186 K209 Y271 E285	L186-K188 PolarHBondContact O-N 3.44Å; K188-K209 PolarHBondContact O-NZ 3.27Å; K188-Y271 WeakPolarHBondContact O-CD2 3.33Å; K188-Y271 VanDerWaalsContact O-CE2 3.32Å; K188-Y271 WeakPolarHBondContact O-CE2 3.42Å; K188-E285 IonicContact NZ-OE2 3.92Å
189	Y	98	Very high	97.2	Very high	19 Å²	19	29.7 Å²	29.7	8%	0.075	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-85.7	-19.3	-178.2	-62.9	-56.8	0	0	0	113.5	E181 L186 R187 T191 A266 G267 Y271	E181-Y189 HydrophobicContact CB-CD2 4.02Å; E181-Y189 HydrophobicContact CB-CG 4.49Å; E181-Y189 HydrophobicContact CG-CD2 3.4Å; E181-Y189 HydrophobicContact CG-CE2 4.15Å; E181-Y189 HydrophobicContact CG-CG 3.98Å; L186-Y189 HydrophobicContact CB-CD2 3.78Å; L186-Y189 HydrophobicContact CB-CE2 4.16Å; L186-Y189 HydrophobicContact CD1-CD2 4.5Å; L186-Y189 HydrophobicContact CD1-CE2 4.27Å; L186-Y189 PolarHBondContact O-N 3.01Å; L186-Y189 VanDerWaalsContact O-N 3.13Å; R187-Y189 PolarHBondContact O-N 3.05Å; Y189-T191 PolarHBondContact O-N 3.47Å; Y189-A266 HydrophobicContact CD1-CB 4.18Å; Y189-A266 HydrophobicContact CE1-CB 3.63Å; Y189-G267 WeakPolarHBondContact CD1-O 3.48Å; Y189-Y271 AromaticContact CD1-CD1 3.61Å; Y189-Y271 HydrophobicContact CD1-CD1 3.61Å; Y189-Y271 AromaticContact CD1-CD2 3.87Å; Y189-Y271 HydrophobicContact CD1-CD2 3.87Å; Y189-Y271 AromaticContact CD1-CE1 3.75Å; Y189-Y271 HydrophobicContact CD1-CE1 3.75Å; Y189-Y271 HydrophobicContact CD1-CE2 4Å; Y189-Y271 AromaticContact CD1-CG 3.68Å; Y189-Y271 HydrophobicContact CD1-CG 3.68Å; Y189-Y271 AromaticContact CD1-CZ 3.94Å; Y189-Y271 AromaticContact CE1-CD1 3.91Å; Y189-Y271 HydrophobicContact CE1-CD1 3.91Å; Y189-Y271 AromaticContact CE1-CE1 3.6Å; Y189-Y271 HydrophobicContact CE1-CE1 3.6Å; Y189-Y271 HydrophobicContact CE1-CE2 4.34Å; Y189-Y271 HydrophobicContact CE1-CG 4.4Å; Y189-Y271 AromaticContact CE1-CZ 3.85Å
190	V	98.4	Very high	97.3	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.006	14%	0.142	C	C	.	.			trans	-73	129.8	-170.8	-177.2	0	0	0	0	109.9	V81 L176 D177 Y182 R187 P210 F211	V81-V190 HydrophobicContact CG1-CG1 3.8Å; L176-V190 HydrophobicContact CD2-CG1 4.03Å; L176-V190 HydrophobicContact CG-CG1 4.33Å; D177-V190 WeakPolarHBondContact O-CA 3.45Å; Y182-V190 HydrophobicContact CD2-CG1 4.15Å; Y182-V190 HydrophobicContact CD2-CG2 4.01Å; Y182-V190 HydrophobicContact CG-CG2 4.43Å; R187-V190 PolarHBondContact O-N 3.11Å; V190-P210 HydrophobicContact CG1-CG 4.43Å; V190-P210 VanDerWaalsContact O-CD 3.3Å; V190-P210 WeakPolarHBondContact O-CD 3.48Å; V190-F211 HydrophobicContact CB-CD2 4.13Å; V190-F211 HydrophobicContact CB-CE2 3.88Å; V190-F211 HydrophobicContact CG1-CE2 3.98Å; V190-F211 HydrophobicContact CG2-CE2 4.08Å
191	T	98.8	Very high	97.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	160.3	173.6	68.3	0	0	0	0	111.9	D177 Y189 I207 H208 K209	D177-T191 WeakPolarHBondContact CB-OG1 3.4Å; D177-T191 PolarHBondContact N-O 2.96Å; D177-T191 PolarHBondContact O-N 3.24Å; D177-T191 PolarHBondContact OD2-OG1 3.35Å; D177-T191 VanDerWaalsContact OD2-OG1 3.1Å; Y189-T191 PolarHBondContact O-N 3.47Å; T191-I207 HydrophobicContact CG2-CG2 3.79Å; T191-H208 CarbonylContact C-O 3.57Å; T191-H208 WeakPolarHBondContact CA-O 3.46Å; T191-H208 VanDerWaalsContact CB-O 3.23Å; T191-H208 WeakPolarHBondContact CB-O 3.36Å; T191-K209 HydrophobicContact CG2-CG 4.16Å
192	T	98.9	Very high	97.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.3	164.9	56.4	0	0	0	0	107.7	A74 V81 P175 H208 P210	A74-T192 PolarHBondContact O-OG1 3.1Å; V81-T192 HydrophobicContact CG2-CG2 3.95Å; P175-T192 WeakPolarHBondContact O-CG2 3.48Å; T192-H208 PolarHBondContact N-O 3.5Å; T192-H208 PolarHBondContact O-N 2.99Å; T192-H208 WeakPolarHBondContact OG1-CB 3.49Å; T192-P210 HydrophobicContact CG2-CG 4.18Å
193	M	98.9	Very high	97.7	Very high	1 Å²	1	34 Å²	34	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	140.8	-167.9	-54.1	-172.6	-67.2	0	0	112.7	M117 D174 D177 V206 I207 G270 D300 A303	M117-M193 WeakPolarHBondContact CE-O 3.44Å; D174-M193 HydrophobicContact CB-CB 4.19Å; D174-M193 HydrophobicContact CB-CE 3.6Å; D174-M193 PolarHBondContact N-O 3.03Å; D174-M193 VanDerWaalsContact N-O 3.09Å; D174-M193 PolarHBondContact O-N 3.39Å; D174-M193 WeakPolarHBondContact OD2-CE 3.2Å; D177-M193 HydrophobicContact CB-CE 3.8Å; M193-V206 VanDerWaalsContact CA-O 3.32Å; M193-V206 WeakPolarHBondContact CA-O 3.36Å; M193-I207 HydrophobicContact CG-CB 4.49Å; M193-I207 HydrophobicContact CG-CG1 4.17Å; M193-I207 HydrophobicContact CG-CG2 4.24Å; M193-I207 HydrophobicContact SD-CG1 4.11Å; M193-I207 HydrophobicContact SD-CG2 4.48Å; M193-G270 WeakPolarHBondContact SD-CA 3.14Å; M193-D300 WeakPolarHBondContact CE-O 3.31Å; M193-A303 HydrophobicContact CB-CB 4.07Å
194	V	98.9	Very high	97.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	131.5	170.7	-176.3	0	0	0	0	108.1	A73 A74 M117 L121 V171 W172 V206 A303	A73-V194 HydrophobicContact CB-CG2 4.26Å; A74-V194 HydrophobicContact CB-CG2 4.26Å; M117-V194 HydrophobicContact CE-CG2 3.38Å; L121-V194 HydrophobicContact CD1-CG1 4.1Å; L121-V194 HydrophobicContact CD1-CG2 4.39Å; V171-V194 HydrophobicContact CG1-CG1 3.81Å; W172-V194 WeakPolarHBondContact O-CA 3.14Å; V194-V206 HydrophobicContact CB-CB 4.36Å; V194-V206 PolarHBondContact N-O 2.86Å; V194-V206 PolarHBondContact O-N 3.43Å; V194-A303 WeakPolarHBondContact O-CB 3.35Å
195	C	98.8	Very high	98.1	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	145.8	171.2	-174.6	0	0	0	0	110.6	V171 W172 L204 C302 A303	V171-C195 CarbonylContact C-O 3.58Å; V171-C195 VanDerWaalsContact CA-O 3.26Å; V171-C195 WeakPolarHBondContact CA-O 3.47Å; W172-C195 HydrophobicContact CB-CB 4.2Å; W172-C195 PolarHBondContact N-O 3.08Å; W172-C195 PolarHBondContact O-N 3.31Å; C195-L204 WeakPolarHBondContact CA-O 3.45Å; C195-L204 PolarHBondContact SG-O 3.19Å; C195-C302 HydrophobicContact CB-CB 3.27Å; C195-C302 WeakPolarHBondContact CB-SG 3.25Å; C195-C302 VanDerWaalsContact SG-CA 3.58Å; C195-C302 WeakPolarHBondContact SG-CB 3.37Å; C195-C302 PolarHBondContact SG-O 2.76Å; C195-C302 CovalentContact SG-SG 2.02Å; C195-C302 PolarHBondContact SG-SG 3.48Å; C195-A303 HydrophobicContact CB-CB 4.13Å
196	V	98.8	Very high	98.3	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	118.4	170.8	-173.1	0	0	0	0	108.9	L63 M66 V169 V171 V203 L204	L63-V196 HydrophobicContact CD2-CG1 4.49Å; M66-V196 HydrophobicContact CG-CG1 4.19Å; M66-V196 HydrophobicContact CG-CG2 3.73Å; M66-V196 HydrophobicContact SD-CG2 4.26Å; V169-V196 HydrophobicContact CG1-CG1 3.5Å; V169-V196 VanDerWaalsContact CG1-CG1 3.5Å; V171-V196 HydrophobicContact CG2-CG2 4.22Å; V196-V203 PolarHBondContact O-N 3.11Å; V196-L204 HydrophobicContact CB-CB 3.78Å; V196-L204 HydrophobicContact CB-CD1 3.86Å; V196-L204 HydrophobicContact CB-CG 3.92Å; V196-L204 HydrophobicContact CG1-CD1 4.28Å; V196-L204 HydrophobicContact CG2-CB 3.97Å; V196-L204 HydrophobicContact CG2-CD1 3.82Å; V196-L204 HydrophobicContact CG2-CG 4.28Å; V196-L204 PolarHBondContact N-O 3.31Å; V196-L204 PolarHBondContact O-N 3.08Å; V196-L204 VanDerWaalsContact O-N 3.08Å
197	A	98.6	Very high	98.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	135.6	174.1	0	0	0	0	0	110.5	V169 T170 K201 Y325	V169-A197 WeakPolarHBondContact CA-O 3.38Å; T170-A197 PolarHBondContact N-O 3.45Å; T170-A197 PolarHBondContact O-N 3.31Å; A197-K201 CarbonylContact C-O 3.6Å; A197-K201 WeakPolarHBondContact CA-O 3.03Å; A197-Y325 HydrophobicContact CB-CG 4.48Å
198	V	98.5	Very high	98.5	Very high	17 Å²	17	19.1 Å²	19.1	10%	0.103	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.8	173.6	-179	0	0	0	0	108	L63 V164 S168 G200 K201 V203	L63-V198 HydrophobicContact CD1-CG2 4.49Å; L63-V198 HydrophobicContact CD2-CG2 4.18Å; V164-V198 HydrophobicContact CB-CG1 4.46Å; V164-V198 HydrophobicContact CG1-CG1 4.3Å; V164-V198 HydrophobicContact CG2-CG2 4.34Å; S168-V198 CarbonylContact O-C 3.53Å; S168-V198 WeakPolarHBondContact O-CA 3.43Å; V198-G200 PolarHBondContact O-N 3.37Å; V198-K201 PolarHBondContact N-O 3Å; V198-K201 PolarHBondContact O-N 2.95Å; V198-V203 HydrophobicContact CB-CG2 3.85Å; V198-V203 HydrophobicContact CG2-CB 4.18Å; V198-V203 HydrophobicContact CG2-CG2 3.81Å
199	N	97.6	Very high	98.6	Very high	120 Å²	120	15.9 Å²	15.9	64%	0.642	8%	0.079	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	42.2	-173.5	-62	-53.3	0	0	0	112.4	S168 K201	S168-N199 WeakPolarHBondContact CB-OD1 3.36Å; S168-N199 PolarHBondContact O-N 3.29Å; N199-K201 PolarHBondContact O-N 3.33Å
200	G	97.2	Very high	98.6	Very high	3 Å²	3	15 Å²	15	3%	0.031	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	1.4	-178.9	0	0	0	0	0	115.9	V198 Y325 T326	V198-G200 PolarHBondContact O-N 3.37Å; G200-Y325 WeakPolarHBondContact O-CD2 3.26Å; G200-Y325 PolarHBondContact O-N 2.71Å; G200-T326 VanDerWaalsContact CA-CG2 3.5Å
201	K	98.4	Very high	98.5	Very high	141 Å²	141	17.3 Å²	17.3	61%	0.613	9%	0.086	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97	132.8	175.3	-63	179	-179.2	178.1	0	109.9	A197 V198 N199 V203	A197-K201 CarbonylContact C-O 3.6Å; A197-K201 WeakPolarHBondContact CA-O 3.03Å; V198-K201 PolarHBondContact N-O 3Å; V198-K201 PolarHBondContact O-N 2.95Å; N199-K201 PolarHBondContact O-N 3.33Å; K201-V203 PolarHBondContact O-N 3.38Å
202	P	98.4	Very high	98.4	Very high	4 Å²	4	19.7 Å²	19.7	3%	0.026	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	124.1	179.1	32.8	-34.7	0	0	0	109.4	N305 A306 K309 Y325	P202-N305 HydrophobicContact CB-CB 4.44Å; P202-N305 HydrophobicContact CG-CB 4.15Å; P202-A306 HydrophobicContact CB-CB 3.92Å; P202-K309 HydrophobicContact CG-CD 4.41Å; P202-Y325 HydrophobicContact CB-CD2 4.04Å; P202-Y325 HydrophobicContact CB-CE2 3.78Å; P202-Y325 HydrophobicContact CG-CD2 4.06Å; P202-Y325 HydrophobicContact CG-CE2 3.6Å
203	V	98.5	Very high	98.3	Very high	19 Å²	19	26.6 Å²	26.6	12%	0.115	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	-41.1	-175.2	176.6	0	0	0	0	112.1	L63 V196 V198 K201 M219 V220	L63-V203 HydrophobicContact CD1-CG1 3.93Å; V196-V203 PolarHBondContact O-N 3.11Å; V198-V203 HydrophobicContact CB-CG2 3.85Å; V198-V203 HydrophobicContact CG2-CB 4.18Å; V198-V203 HydrophobicContact CG2-CG2 3.81Å; K201-V203 PolarHBondContact O-N 3.38Å; V203-M219 WeakPolarHBondContact O-CA 3.41Å; V203-V220 PolarHBondContact O-N 2.81Å
204	L	98.7	Very high	98.3	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.5	175	-46.8	175.3	0	0	0	109.4	L63 M66 L67 C195 V196 A218 M219 A306	L63-L204 HydrophobicContact CB-CD1 4.43Å; L63-L204 HydrophobicContact CD2-CD1 4.22Å; L63-L204 WeakPolarHBondContact O-CD1 3.4Å; M66-L204 HydrophobicContact CB-CD1 4.06Å; M66-L204 HydrophobicContact CG-CD1 3.84Å; L67-L204 HydrophobicContact CB-CD1 4.1Å; L67-L204 HydrophobicContact CB-CD2 4.39Å; C195-L204 WeakPolarHBondContact CA-O 3.45Å; C195-L204 PolarHBondContact SG-O 3.19Å; V196-L204 HydrophobicContact CB-CB 3.78Å; V196-L204 HydrophobicContact CB-CD1 3.86Å; V196-L204 HydrophobicContact CB-CG 3.92Å; V196-L204 HydrophobicContact CG1-CD1 4.28Å; V196-L204 HydrophobicContact CG2-CB 3.97Å; V196-L204 HydrophobicContact CG2-CD1 3.82Å; V196-L204 HydrophobicContact CG2-CG 4.28Å; V196-L204 PolarHBondContact N-O 3.31Å; V196-L204 PolarHBondContact O-N 3.08Å; V196-L204 VanDerWaalsContact O-N 3.08Å; L204-A218 WeakPolarHBondContact CA-O 3.38Å; L204-M219 HydrophobicContact CD2-CB 3.5Å; L204-M219 HydrophobicContact CD2-CE 4.48Å; L204-M219 HydrophobicContact CD2-CG 3.37Å; L204-M219 HydrophobicContact CD2-SD 3.77Å; L204-A306 WeakPolarHBondContact O-CB 3.44Å
205	G	98.9	Very high	98.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	134.6	173.4	0	0	0	0	0	111	W217 A218	G205-W217 CarbonylContact O-C 3.47Å; G205-W217 WeakPolarHBondContact O-CA 3.41Å; G205-A218 PolarHBondContact N-O 3.09Å; G205-A218 PolarHBondContact O-N 3.35Å
206	V	98.9	Very high	98.3	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	127	175.3	-177.4	0	0	0	0	108.2	L67 V71 A74 M193 V194 T215 A216 W217	L67-V206 HydrophobicContact CD1-CG2 4.16Å; V71-V206 HydrophobicContact CG2-CG1 4.16Å; V71-V206 HydrophobicContact CG2-CG2 3.86Å; A74-V206 HydrophobicContact CB-CG1 3.6Å; M193-V206 VanDerWaalsContact CA-O 3.32Å; M193-V206 WeakPolarHBondContact CA-O 3.36Å; V194-V206 HydrophobicContact CB-CB 4.36Å; V194-V206 PolarHBondContact N-O 2.86Å; V194-V206 PolarHBondContact O-N 3.43Å; V206-T215 HydrophobicContact CG1-CG2 3.72Å; V206-A216 WeakPolarHBondContact CA-O 3.32Å; V206-W217 HydrophobicContact CG2-CB 4.07Å
207	I	98.9	Very high	98.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	113	171.1	-57.2	173.1	0	0	0	107.2	T191 M193 A216 V273 L274 A303 I307	T191-I207 HydrophobicContact CG2-CG2 3.79Å; M193-I207 HydrophobicContact CG-CB 4.49Å; M193-I207 HydrophobicContact CG-CG1 4.17Å; M193-I207 HydrophobicContact CG-CG2 4.24Å; M193-I207 HydrophobicContact SD-CG1 4.11Å; M193-I207 HydrophobicContact SD-CG2 4.48Å; I207-A216 PolarHBondContact N-O 2.69Å; I207-A216 PolarHBondContact O-N 2.87Å; I207-V273 HydrophobicContact CD1-CB 4.43Å; I207-V273 HydrophobicContact CD1-CG1 4.47Å; I207-L274 HydrophobicContact CB-CD2 4.45Å; I207-L274 HydrophobicContact CD1-CD2 4.31Å; I207-L274 HydrophobicContact CD1-CG 4.33Å; I207-L274 HydrophobicContact CG2-CD1 3.75Å; I207-L274 HydrophobicContact CG2-CD2 4.49Å; I207-L274 HydrophobicContact CG2-CG 4.08Å; I207-A303 HydrophobicContact CG1-CB 4.09Å; I207-I307 HydrophobicContact CB-CD1 4.41Å; I207-I307 HydrophobicContact CD1-CD1 3.82Å; I207-I307 HydrophobicContact CG1-CD1 3.83Å
208	H	98.9	Very high	98.3	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.019	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135	176.4	177.2	67.8	0	0	0	110.5	A74 T191 T192 P210 Y214 T215	A74-H208 HydrophobicContact CB-CB 3.82Å; T191-H208 CarbonylContact C-O 3.57Å; T191-H208 WeakPolarHBondContact CA-O 3.46Å; T191-H208 VanDerWaalsContact CB-O 3.23Å; T191-H208 WeakPolarHBondContact CB-O 3.36Å; T192-H208 PolarHBondContact N-O 3.5Å; T192-H208 PolarHBondContact O-N 2.99Å; T192-H208 WeakPolarHBondContact OG1-CB 3.49Å; H208-P210 WeakPolarHBondContact O-CD 3.28Å; H208-Y214 PolarHBondContact ND1-O 3.46Å; H208-T215 HydrophobicContact CB-CG2 4.3Å; H208-T215 PolarHBondContact ND1-OG1 2.87Å
209	K	98.7	Very high	98.3	Very high	3 Å²	3	28.9 Å²	28.9	1%	0.013	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	102.8	174.2	-62	-177.6	71.6	71.4	0	108.7	K188 T191 F211 S212 E213 Y214 L274 D281	K188-K209 PolarHBondContact O-NZ 3.27Å; T191-K209 HydrophobicContact CG2-CG 4.16Å; K209-F211 VanDerWaalsContact C-N 3.33Å; K209-F211 PolarHBondContact O-N 2.94Å; K209-S212 WeakPolarHBondContact CB-OG 3.14Å; K209-S212 WeakPolarHBondContact CE-OG 3.22Å; K209-S212 PolarHBondContact O-N 3.49Å; K209-E213 PolarHBondContact O-N 3.25Å; K209-Y214 HydrophobicContact CD-CD1 4.15Å; K209-Y214 PolarHBondContact N-O 3.01Å; K209-Y214 PolarHBondContact O-N 2.7Å; K209-L274 HydrophobicContact CD-CD1 3.86Å; K209-L274 HydrophobicContact CG-CD1 3.89Å; K209-D281 WeakPolarHBondContact CE-OD2 3.33Å
210	P	98.3	Very high	98.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-40.7	-173.6	-27.7	37	0	0	0	113.4	V81 R82 V190 T192 H208	V81-P210 HydrophobicContact CB-CG 4.43Å; V81-P210 HydrophobicContact CG1-CG 4.35Å; R82-P210 PolarHBondContact NE-O 2.78Å; R82-P210 PolarHBondContact NH2-O 3.27Å; V190-P210 HydrophobicContact CG1-CG 4.43Å; V190-P210 VanDerWaalsContact O-CD 3.3Å; V190-P210 WeakPolarHBondContact O-CD 3.48Å; T192-P210 HydrophobicContact CG2-CG 4.18Å; H208-P210 WeakPolarHBondContact O-CD 3.28Å
211	F	97.7	Very high	98.2	Very high	50 Å²	50	31.1 Å²	31.1	22%	0.219	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-10.8	-171.3	-59.8	-79.2	0	0	0	115.1	V81 R82 R85 Y182 R187 V190 K209	V81-F211 HydrophobicContact CG1-CE2 4.43Å; R82-F211 HydrophobicContact CB-CE1 4.42Å; R82-F211 HydrophobicContact CG-CD1 4.13Å; R82-F211 HydrophobicContact CG-CE1 4.01Å; R85-F211 HydrophobicContact CB-CE1 3.96Å; R85-F211 HydrophobicContact CB-CZ 3.74Å; R85-F211 HydrophobicContact CG-CE1 3.97Å; R85-F211 HydrophobicContact CG-CZ 3.78Å; Y182-F211 HydrophobicContact CD2-CE2 4.37Å; Y182-F211 HydrophobicContact CD2-CZ 4.37Å; Y182-F211 HydrophobicContact CE2-CE2 4.47Å; Y182-F211 HydrophobicContact CE2-CZ 4.08Å; R187-F211 HydrophobicContact CB-CB 3.99Å; R187-F211 HydrophobicContact CB-CD1 4.17Å; R187-F211 HydrophobicContact CB-CD2 3.58Å; R187-F211 HydrophobicContact CB-CE2 4.07Å; R187-F211 HydrophobicContact CB-CG 3.64Å; R187-F211 HydrophobicContact CG-CD1 4Å; R187-F211 HydrophobicContact CG-CD2 4.01Å; R187-F211 HydrophobicContact CG-CE1 4.05Å; R187-F211 HydrophobicContact CG-CE2 4.06Å; R187-F211 HydrophobicContact CG-CG 3.97Å; R187-F211 HydrophobicContact CG-CZ 4.08Å; R187-F211 WeakPolarHBondContact O-CD2 3.39Å; V190-F211 HydrophobicContact CB-CD2 4.13Å; V190-F211 HydrophobicContact CB-CE2 3.88Å; V190-F211 HydrophobicContact CG1-CE2 3.98Å; V190-F211 HydrophobicContact CG2-CE2 4.08Å; K209-F211 VanDerWaalsContact C-N 3.33Å; K209-F211 PolarHBondContact O-N 2.94Å
212	S	96.8	Very high	98	Very high	50 Å²	50	25.9 Å²	25.9	35%	0.35	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	1.8	170.3	57.1	0	0	0	0	113.3	K209 Y214 D281	K209-S212 WeakPolarHBondContact CB-OG 3.14Å; K209-S212 WeakPolarHBondContact CE-OG 3.22Å; K209-S212 PolarHBondContact O-N 3.49Å; S212-Y214 PolarHBondContact O-N 2.86Å; S212-Y214 VanDerWaalsContact O-N 3.11Å; S212-D281 WeakPolarHBondContact CB-OD2 3.26Å; S212-D281 PolarHBondContact OG-OD2 3Å
213	E	96.6	Very high	97.9	Very high	144 Å²	144	26.6 Å²	26.6	67%	0.673	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	29.4	178.5	-54.6	-168.7	109.2	0	0	113.5	R82 K209	R82-E213 IonicContact CZ-OE1 2.79Å; R82-E213 IonicContact NH1-OE1 2.8Å; R82-E213 IonicContact NH2-OE1 2.59Å; K209-E213 PolarHBondContact O-N 3.25Å
214	Y	98	Very high	97.9	Very high	35 Å²	35	26.8 Å²	26.8	14%	0.137	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	129.5	179	175.5	-100.8	0	0	0	110.7	H208 K209 S212 A216 V279 P280	H208-Y214 PolarHBondContact ND1-O 3.46Å; K209-Y214 HydrophobicContact CD-CD1 4.15Å; K209-Y214 PolarHBondContact N-O 3.01Å; K209-Y214 PolarHBondContact O-N 2.7Å; S212-Y214 PolarHBondContact O-N 2.86Å; S212-Y214 VanDerWaalsContact O-N 3.11Å; Y214-A216 HydrophobicContact CE1-CB 3.81Å; Y214-V279 HydrophobicContact CD1-CG1 3.82Å; Y214-V279 HydrophobicContact CE1-CB 4.39Å; Y214-V279 HydrophobicContact CE1-CG1 3.55Å; Y214-V279 HydrophobicContact CE1-CG2 4.2Å; Y214-P280 HydrophobicContact CD2-CG 3.85Å; Y214-P280 VanDerWaalsContact CE2-CD 3.44Å; Y214-P280 HydrophobicContact CE2-CG 3.51Å
215	T	98.7	Very high	97.8	Very high	23 Å²	23	29.6 Å²	29.6	14%	0.141	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	120.4	173.4	-52.9	0	0	0	0	109.7	V71 V206 H208 N225	V71-T215 HydrophobicContact CG1-CG2 4.3Å; V206-T215 HydrophobicContact CG1-CG2 3.72Å; H208-T215 HydrophobicContact CB-CG2 4.3Å; H208-T215 PolarHBondContact ND1-OG1 2.87Å; T215-N225 PolarHBondContact O-ND2 2.89Å
216	A	98.8	Very high	97.8	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	134.8	164.4	0	0	0	0	0	109.5	V206 I207 Y214 N225 V226 L274 I307	V206-A216 WeakPolarHBondContact CA-O 3.32Å; I207-A216 PolarHBondContact N-O 2.69Å; I207-A216 PolarHBondContact O-N 2.87Å; Y214-A216 HydrophobicContact CE1-CB 3.81Å; A216-N225 WeakPolarHBondContact CA-OD1 3.41Å; A216-V226 HydrophobicContact CB-CB 4.23Å; A216-V226 HydrophobicContact CB-CG1 4.18Å; A216-L274 HydrophobicContact CB-CD2 3.68Å; A216-I307 HydrophobicContact CB-CD1 4.37Å
217	W	98.8	Very high	97.8	Very high	3 Å²	3	36.8 Å²	36.8	1%	0.011	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	153.6	172.2	61.5	-104.9	0	0	0	111.7	L67 V71 D153 I154 E157 V158 G205 V206 S224 N225	L67-W217 HydrophobicContact CD1-CB 4.19Å; L67-W217 HydrophobicContact CD1-CE3 4.29Å; L67-W217 HydrophobicContact CD2-CD2 4.46Å; L67-W217 HydrophobicContact CD2-CE3 3.75Å; L67-W217 HydrophobicContact CD2-CZ3 3.9Å; L67-W217 HydrophobicContact CG-CE3 4.48Å; V71-W217 HydrophobicContact CG2-CB 4Å; V71-W217 HydrophobicContact CG2-CG 3.96Å; D153-W217 PolarHBondContact OD2-NE1 3.22Å; I154-W217 HydrophobicContact CB-CZ2 4.41Å; I154-W217 HydrophobicContact CG1-CD2 4.45Å; I154-W217 HydrophobicContact CG1-CH2 4.03Å; I154-W217 HydrophobicContact CG1-CZ2 3.61Å; E157-W217 HydrophobicContact CB-CH2 3.79Å; E157-W217 HydrophobicContact CB-CZ3 4.37Å; E157-W217 HydrophobicContact CG-CH2 3.89Å; V158-W217 HydrophobicContact CG2-CZ3 4.38Å; G205-W217 CarbonylContact O-C 3.47Å; G205-W217 WeakPolarHBondContact O-CA 3.41Å; V206-W217 HydrophobicContact CG2-CB 4.07Å; W217-S224 WeakPolarHBondContact O-CA 3.18Å; W217-S224 WeakPolarHBondContact O-CB 3.29Å; W217-N225 VanDerWaalsContact CD1-ND2 3.32Å; W217-N225 HydrophobicContact CD2-CB 4.19Å; W217-N225 HydrophobicContact CH2-CB 4.46Å; W217-N225 HydrophobicContact CZ2-CB 3.76Å; W217-N225 PolarHBondContact N-OD1 2.81Å; W217-N225 PolarHBondContact NE1-ND2 2.87Å; W217-N225 PolarHBondContact O-N 3.09Å; W217-N225 PolarHBondContact O-OD1 2.88Å
218	A	98.7	Very high	97.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	153.9	171.9	0	0	0	0	0	112	L204 G205 G223 I307 A310	L204-A218 WeakPolarHBondContact CA-O 3.38Å; G205-A218 PolarHBondContact N-O 3.09Å; G205-A218 PolarHBondContact O-N 3.35Å; A218-G223 CarbonylContact C-O 3.58Å; A218-G223 WeakPolarHBondContact CA-O 3.35Å; A218-I307 HydrophobicContact CB-CB 4.32Å; A218-I307 HydrophobicContact CB-CG1 4.01Å; A218-I307 HydrophobicContact CB-CG2 4.4Å; A218-A310 HydrophobicContact CB-CB 3.59Å
219	M	98.5	Very high	97.6	Very high	7 Å²	7	38.2 Å²	38.2	3%	0.034	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123	170.9	174.1	169.2	-178	0	0	109.3	L63 L67 V158 K162 V203 L204 D221 G222 G223	L63-M219 HydrophobicContact CB-CE 3.63Å; L63-M219 HydrophobicContact CB-SD 4.4Å; L63-M219 HydrophobicContact CD1-CE 3.93Å; L63-M219 HydrophobicContact CG-CE 4.46Å; L67-M219 HydrophobicContact CD2-CB 4.33Å; V158-M219 HydrophobicContact CG1-SD 3.69Å; V158-M219 HydrophobicContact CG2-CB 4.41Å; V158-M219 HydrophobicContact CG2-SD 4.25Å; K162-M219 HydrophobicContact CB-CE 4.05Å; K162-M219 HydrophobicContact CD-CE 4.07Å; V203-M219 WeakPolarHBondContact O-CA 3.41Å; L204-M219 HydrophobicContact CD2-CB 3.5Å; L204-M219 HydrophobicContact CD2-CE 4.48Å; L204-M219 HydrophobicContact CD2-CG 3.37Å; L204-M219 HydrophobicContact CD2-SD 3.77Å; M219-D221 PolarHBondContact O-N 3.23Å; M219-G222 PolarHBondContact O-N 2.66Å; M219-G223 PolarHBondContact N-O 2.75Å; M219-G223 PolarHBondContact O-N 3.21Å; M219-G223 VanDerWaalsContact O-N 3.1Å
220	V	98.1	Very high	97.5	Very high	19 Å²	19	43.5 Å²	43.5	12%	0.115	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	129.6	174.6	-179.9	0	0	0	0	109.3	V203 G222 K309 A310	V203-V220 PolarHBondContact O-N 2.81Å; V220-G222 PolarHBondContact O-N 3.19Å; V220-G222 VanDerWaalsContact O-N 3.16Å; V220-K309 HydrophobicContact CG1-CG 4.38Å; V220-K309 HydrophobicContact CG2-CB 4Å; V220-K309 HydrophobicContact CG2-CD 4.38Å; V220-K309 HydrophobicContact CG2-CG 4.05Å; V220-A310 HydrophobicContact CG2-CB 4.11Å
221	D	94.9	Very high	97.3	Very high	151 Å²	151	47.4 Å²	47.4	81%	0.807	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	16.2	-173.9	-49.6	-42.1	0	0	0	114.8	M219	M219-D221 PolarHBondContact O-N 3.23Å
222	G	94.6	Very high	97.3	Very high	31 Å²	31	46.5 Å²	46.5	32%	0.32	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-68.4	177.9	0	0	0	0	0	112.3	M219 V220	M219-G222 PolarHBondContact O-N 2.66Å; V220-G222 PolarHBondContact O-N 3.19Å; V220-G222 VanDerWaalsContact O-N 3.16Å
223	G	96.3	Very high	97.1	Very high	19 Å²	19	47.1 Å²	47.1	20%	0.196	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.7	178.1	-175.3	0	0	0	0	0	112.8	A218 M219	A218-G223 CarbonylContact C-O 3.58Å; A218-G223 WeakPolarHBondContact CA-O 3.35Å; M219-G223 PolarHBondContact N-O 2.75Å; M219-G223 PolarHBondContact O-N 3.21Å; M219-G223 VanDerWaalsContact O-N 3.1Å
224	S	97.8	Very high	96.5	Very high	22 Å²	22	44.2 Å²	44.2	15%	0.154	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	152	-178.9	63.3	0	0	0	0	112.2	W217 V226 L311	W217-S224 WeakPolarHBondContact O-CA 3.18Å; W217-S224 WeakPolarHBondContact O-CB 3.29Å; S224-V226 PolarHBondContact OG-O 3.05Å; S224-L311 WeakPolarHBondContact OG-CD2 3.42Å
225	N	98	Very high	95.8	Very high	61 Å²	61	51.4 Å²	51.4	33%	0.326	28%	0.284	S	S	.	.	S	Bend	trans	-89.2	-10.3	169.8	76.1	-15.7	0	0	0	113.6	T215 A216 W217	T215-N225 PolarHBondContact O-ND2 2.89Å; A216-N225 WeakPolarHBondContact CA-OD1 3.41Å; W217-N225 VanDerWaalsContact CD1-ND2 3.32Å; W217-N225 HydrophobicContact CD2-CB 4.19Å; W217-N225 HydrophobicContact CH2-CB 4.46Å; W217-N225 HydrophobicContact CZ2-CB 3.76Å; W217-N225 PolarHBondContact N-OD1 2.81Å; W217-N225 PolarHBondContact NE1-ND2 2.87Å; W217-N225 PolarHBondContact O-N 3.09Å; W217-N225 PolarHBondContact O-OD1 2.88Å
226	V	97.9	Very high	95.3	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.012	29%	0.29	C	S	.	.			trans	-108.7	156.8	178.9	61.2	0	0	0	0	110.4	A216 S224 L277 I307 L311	A216-V226 HydrophobicContact CB-CB 4.23Å; A216-V226 HydrophobicContact CB-CG1 4.18Å; S224-V226 PolarHBondContact OG-O 3.05Å; V226-L277 HydrophobicContact CG1-CD1 4.31Å; V226-L277 HydrophobicContact CG2-CB 3.89Å; V226-L277 HydrophobicContact CG2-CD1 3.9Å; V226-L277 HydrophobicContact CG2-CG 4.48Å; V226-I307 HydrophobicContact CG1-CG2 3.88Å; V226-L311 HydrophobicContact CG1-CD1 4.28Å; V226-L311 WeakPolarHBondContact O-CD2 3.16Å
227	K	98	Very high	95.1	Very high	148 Å²	148	52.5 Å²	52.5	64%	0.643	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.7	159.9	-179.7	-66.1	177.5	-176.2	175.4	0	111.6	D278	K227-D278 PolarHBondContact O-N 2.81Å
228	A	98	Very high	94.9	Very high	10 Å²	10	57.1 Å²	57.1	8%	0.083	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	150.4	164.9	0	0	0	0	0	110.6	I339 R340	A228-I339 HydrophobicContact CB-CD1 3.71Å; A228-I339 HydrophobicContact CB-CG1 4.19Å; A228-R340 HydrophobicContact CB-CG 4.41Å
229	R	97.4	Very high	94.8	Very high	24 Å²	24	57.1 Å²	57.1	9%	0.091	31%	0.308	C	S	.	.			trans	-63.7	161.4	173.3	-59.1	-175.5	-62.3	132.6	11.2	110.9	S231 Y232 L277 D278 A287 D288 R340	R229-S231 VanDerWaalsContact C-N 3.27Å; R229-S231 PolarHBondContact O-N 3.17Å; R229-Y232 HydrophobicContact CB-CE2 4.02Å; R229-Y232 PolarHBondContact N-OH 2.87Å; R229-Y232 WeakPolarHBondContact O-CE2 3.39Å; R229-L277 VanDerWaalsContact CG-C 3.43Å; R229-L277 WeakPolarHBondContact CG-O 3.5Å; R229-D278 HydrophobicContact CG-CB 4.26Å; R229-A287 PolarHBondContact NH2-O 3.07Å; R229-D288 IonicContact CZ-OD1 2.71Å; R229-D288 IonicContact NH1-OD1 3.55Å; R229-D288 IonicContact NH2-OD1 3.31Å; R229-D288 PolarHBondContact NH2-OD1 2.82Å; R229-R340 PolarHBondContact O-NH1 2.99Å
230	S	95.4	Very high	94.7	Very high	115 Å²	115	56.8 Å²	56.8	80%	0.804	31%	0.306	S	S	*	.	S	Bend	trans	-66.1	-26.9	179.4	57.2	0	0	0	0	113.8
231	S	95.4	Very high	94.4	Very high	81 Å²	81	56 Å²	56	57%	0.566	30%	0.302	S	S	*	.			trans	-155.1	148.5	-175	58.8	0	0	0	0	112.1	R229	R229-S231 VanDerWaalsContact C-N 3.27Å; R229-S231 PolarHBondContact O-N 3.17Å
232	Y	96.4	Very high	94.1	Very high	32 Å²	32	49.2 Å²	49.2	13%	0.125	27%	0.266	C	S	.	.			trans	-132.3	144.8	175.9	-63.2	-100.1	0	0	0	109	R229 L276 D288 I339 R340 M341	R229-Y232 HydrophobicContact CB-CE2 4.02Å; R229-Y232 PolarHBondContact N-OH 2.87Å; R229-Y232 WeakPolarHBondContact O-CE2 3.39Å; Y232-L276 VanDerWaalsContact CE1-O 3.26Å; Y232-L276 WeakPolarHBondContact CE1-O 3.46Å; Y232-L276 PolarHBondContact OH-O 3.02Å; Y232-D288 WeakPolarHBondContact CA-OD1 3.3Å; Y232-I339 HydrophobicContact CD1-CG2 4.26Å; Y232-I339 HydrophobicContact CE1-CG2 3.4Å; Y232-I339 HydrophobicContact CE2-CG2 4.27Å; Y232-I339 VanDerWaalsContact CZ-CG2 3.41Å; Y232-I339 VanDerWaalsContact OH-CG2 3.29Å; Y232-I339 WeakPolarHBondContact OH-CG2 3.02Å; Y232-R340 HydrophobicContact CD2-CB 3.87Å; Y232-R340 HydrophobicContact CE2-CB 4.01Å; Y232-R340 HydrophobicContact CE2-CG 4.37Å; Y232-M341 HydrophobicContact CD1-SD 4.35Å; Y232-M341 HydrophobicContact CG-CG 4.39Å; Y232-M341 HydrophobicContact CG-SD 4.42Å
233	N	91.8	Very high	93.6	Very high	62 Å²	62	52 Å²	52	33%	0.332	27%	0.267	S	S	.	.			trans	-104	108	-178.6	-171.6	-20.3	0	0	0	111.8	K235 T236 P237 D288	N233-K235 PolarHBondContact OD1-N 3.5Å; N233-T236 PolarHBondContact ND2-O 3.1Å; N233-T236 PolarHBondContact ND2-OG1 3.3Å; N233-T236 PolarHBondContact OD1-N 2.81Å; N233-P237 VanDerWaalsContact O-CA 3.25Å; N233-P237 WeakPolarHBondContact O-CA 3.39Å; N233-P237 VanDerWaalsContact O-CB 3.3Å; N233-P237 WeakPolarHBondContact O-CB 3.48Å; N233-D288 PolarHBondContact N-OD1 3.49Å
234	E	84.7	Confident	92.2	Very high	83 Å²	83	53.2 Å²	53.2	39%	0.388	27%	0.272	S	S	.	.	S	Bend	trans	-80.7	-20	177.3	-55.3	-164.1	155	0	0	114.3	M341 N342	E234-M341 HydrophobicContact CB-CE 4.01Å; E234-M341 HydrophobicContact CG-CB 4.31Å; E234-M341 HydrophobicContact CG-CE 3.58Å; E234-M341 HydrophobicContact CG-CG 4.03Å; E234-M341 WeakPolarHBondContact OE1-CA 3.33Å; E234-M341 WeakPolarHBondContact OE1-CB 3.06Å; E234-N342 PolarHBondContact OE1-N 2.62Å
235	K	84	Confident	90.6	Very high	186 Å²	186	54.8 Å²	54.8	81%	0.809	28%	0.277	S	S	*	.	S	Bend	trans	-86.2	-45.3	-175	-68.3	-175.5	179.6	-179.9	0	112	N233	N233-K235 PolarHBondContact OD1-N 3.5Å
236	T	88.4	Confident	88.8	Confident	46 Å²	46	54.8 Å²	54.8	28%	0.282	28%	0.282	S	S	.	.	S	Bend	trans	-132.9	69.5	178.7	59.9	0	0	0	0	108.9	N233 Q260	N233-T236 PolarHBondContact ND2-O 3.1Å; N233-T236 PolarHBondContact ND2-OG1 3.3Å; N233-T236 PolarHBondContact OD1-N 2.81Å; T236-Q260 HydrophobicContact CG2-CB 3.81Å
237	P	93.3	Very high	87.3	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	31%	0.312	C	S	.	.			trans	-65.2	149.8	-174.1	25.5	-33.2	0	0	0	111.9	N233 I239 F257 T261 T262 D288 L289	N233-P237 VanDerWaalsContact O-CA 3.25Å; N233-P237 WeakPolarHBondContact O-CA 3.39Å; N233-P237 VanDerWaalsContact O-CB 3.3Å; N233-P237 WeakPolarHBondContact O-CB 3.48Å; P237-I239 HydrophobicContact CB-CD1 4.49Å; P237-I239 HydrophobicContact CB-CG1 4.02Å; P237-I239 HydrophobicContact CG-CD1 3.99Å; P237-I239 HydrophobicContact CG-CG1 4.02Å; P237-F257 HydrophobicContact CG-CB 3.91Å; P237-F257 HydrophobicContact CG-CD1 3.7Å; P237-F257 HydrophobicContact CG-CD2 4.4Å; P237-F257 HydrophobicContact CG-CE1 4.33Å; P237-F257 HydrophobicContact CG-CG 3.74Å; P237-T261 HydrophobicContact CG-CG2 4.36Å; P237-T261 WeakPolarHBondContact O-CG2 3.42Å; P237-T262 PolarHBondContact O-N 3.18Å; P237-D288 HydrophobicContact CB-CB 4.02Å; P237-L289 HydrophobicContact CB-CD1 3.89Å; P237-L289 HydrophobicContact CB-CG 4.19Å; P237-L289 HydrophobicContact CG-CD1 3.99Å
238	R	96.2	Very high	86.2	Confident	100 Å²	100	54.6 Å²	54.6	38%	0.377	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	114.6	159.7	-65.3	168.9	62.4	112.7	3.4	107.7	T262 I264 K286 D288 L289	R238-T262 CarbonylContact C-O 3.52Å; R238-T262 WeakPolarHBondContact CA-O 3.48Å; R238-T262 HydrophobicContact CG-CG2 4.43Å; R238-I264 HydrophobicContact CB-CD1 4.02Å; R238-K286 PolarHBondContact NE-O 2.94Å; R238-K286 PolarHBondContact NH2-O 3.12Å; R238-D288 PolarHBondContact N-OD2 3.33Å; R238-D288 PolarHBondContact O-N 3.28Å; R238-L289 PolarHBondContact O-N 3.31Å
239	I	95.4	Very high	85	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	116.2	-175.3	-52.4	-170.6	0	0	0	108.8	P237 V241 A253 F257 T261 T262 I263 I264 L289 I291	P237-I239 HydrophobicContact CB-CD1 4.49Å; P237-I239 HydrophobicContact CB-CG1 4.02Å; P237-I239 HydrophobicContact CG-CD1 3.99Å; P237-I239 HydrophobicContact CG-CG1 4.02Å; I239-V241 HydrophobicContact CG2-CG1 3.87Å; I239-A253 HydrophobicContact CD1-CB 3.96Å; I239-F257 HydrophobicContact CD1-CD2 3.24Å; I239-F257 HydrophobicContact CD1-CE2 3.55Å; I239-F257 HydrophobicContact CD1-CG 3.98Å; I239-F257 HydrophobicContact CD1-CZ 4.48Å; I239-T261 HydrophobicContact CD1-CG2 3.58Å; I239-T261 HydrophobicContact CG1-CG2 3.72Å; I239-T262 PolarHBondContact N-O 3.13Å; I239-I263 HydrophobicContact CB-CD1 4.1Å; I239-I263 WeakPolarHBondContact O-CA 3.43Å; I239-I264 PolarHBondContact O-N 3.47Å; I239-L289 CarbonylContact C-O 3.5Å; I239-L289 WeakPolarHBondContact CA-O 3.22Å; I239-L289 HydrophobicContact CD1-CD1 4.07Å; I239-L289 HydrophobicContact CG1-CB 4.17Å; I239-L289 HydrophobicContact CG1-CD1 4.25Å; I239-L289 HydrophobicContact CG2-CB 4.31Å; I239-I291 HydrophobicContact CD1-CD1 4.09Å; I239-I291 HydrophobicContact CG2-CB 4.16Å; I239-I291 HydrophobicContact CG2-CD1 3.84Å; I239-I291 HydrophobicContact CG2-CG1 3.81Å
240	V	96.1	Very high	84.1	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	133.9	172	71.5	0	0	0	0	109.6	I264 A266 K272 A275 A287 L289 Y290 I291	V240-I264 WeakPolarHBondContact CA-O 3.24Å; V240-I264 HydrophobicContact CB-CB 4.41Å; V240-I264 HydrophobicContact CG2-CB 4.34Å; V240-I264 HydrophobicContact CG2-CG2 4.25Å; V240-I264 WeakPolarHBondContact CG2-O 3.45Å; V240-A266 HydrophobicContact CG2-CB 3.71Å; V240-K272 HydrophobicContact CG1-CB 3.99Å; V240-K272 HydrophobicContact CG1-CG 4.28Å; V240-K272 HydrophobicContact CG2-CB 4.29Å; V240-K272 HydrophobicContact CG2-CD 4.26Å; V240-K272 HydrophobicContact CG2-CG 3.73Å; V240-A275 HydrophobicContact CG1-CB 4.37Å; V240-A287 HydrophobicContact CB-CB 3.69Å; V240-A287 HydrophobicContact CG1-CB 3.86Å; V240-L289 PolarHBondContact N-O 2.87Å; V240-Y290 HydrophobicContact CG1-CD2 4.18Å; V240-Y290 HydrophobicContact CG1-CG 4.17Å; V240-Y290 WeakPolarHBondContact O-CA 3.16Å; V240-I291 PolarHBondContact O-N 3.07Å
241	V	93.2	Very high	83.3	Confident	4 Å²	4	60.9 Å²	60.9	2%	0.024	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	161.1	-175.9	-56.9	0	0	0	0	109.8	I239 R243 V249 I263 I264 A266	I239-V241 HydrophobicContact CG2-CG1 3.87Å; V241-R243 PolarHBondContact O-N 2.57Å; V241-V249 HydrophobicContact CB-CB 4.47Å; V241-V249 HydrophobicContact CB-CG1 3.6Å; V241-V249 HydrophobicContact CB-CG2 4.02Å; V241-V249 HydrophobicContact CG1-CB 4.34Å; V241-V249 HydrophobicContact CG1-CG1 3.79Å; V241-V249 HydrophobicContact CG1-CG2 3.54Å; V241-V249 HydrophobicContact CG2-CG1 3.82Å; V241-I263 HydrophobicContact CG1-CG2 4.3Å; V241-I263 HydrophobicContact CG2-CG2 3.54Å; V241-I264 PolarHBondContact N-O 3.27Å; V241-A266 PolarHBondContact O-N 3.01Å
242	S	87.8	Confident	82.5	Confident	8 Å²	8	57.2 Å²	57.2	6%	0.056	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	129	176.2	-171.6	0	0	0	0	111.1	H245 S246 A266	S242-H245 WeakPolarHBondContact OG-CB 3.01Å; S242-H245 PolarHBondContact OG-N 2.75Å; S242-H245 VanDerWaalsContact OG-N 3.1Å; S242-S246 WeakPolarHBondContact O-CA 3.41Å; S242-S246 WeakPolarHBondContact O-CB 3.18Å; S242-A266 WeakPolarHBondContact CA-O 3.26Å
243	R	83.3	Confident	81.8	Confident	90 Å²	90	55.7 Å²	55.7	34%	0.34	28%	0.278	S	S	.	.	S	Bend	trans	-69.2	-49.5	171.7	175.5	-174.8	149.9	-133.8	0.8	111.1	E181 E184 V241 P265 A266	E181-R243 IonicContact OE1-CZ 3.82Å; E181-R243 IonicContact OE1-NH1 2.75Å; E181-R243 PolarHBondContact OE1-NH1 2.8Å; E184-R243 VanDerWaalsContact CD-NH2 3.33Å; E184-R243 IonicContact OE1-NH2 3.23Å; E184-R243 PolarHBondContact OE1-NH2 2.94Å; E184-R243 IonicContact OE2-CZ 3.01Å; E184-R243 IonicContact OE2-NH1 2.74Å; E184-R243 PolarHBondContact OE2-NH1 2.8Å; E184-R243 IonicContact OE2-NH2 3.32Å; E184-R243 PolarHBondContact OE2-NH2 2.73Å; V241-R243 PolarHBondContact O-N 2.57Å; R243-P265 HydrophobicContact CB-CB 4.08Å; R243-P265 HydrophobicContact CG-CB 4.42Å; R243-A266 PolarHBondContact N-O 2.96Å
244	S	67.3	Low	81.5	Confident	44 Å²	44	54.8 Å²	54.8	31%	0.308	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-17.9	-172.5	-52.6	0	0	0	0	112.7	E181	E181-S244 PolarHBondContact OE1-OG 3.28Å
245	H	65.1	Low	81.4	Confident	54 Å²	54	56.8 Å²	56.8	25%	0.25	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	54.5	-179.1	-55.4	96.8	0	0	0	111.1	S242	S242-H245 WeakPolarHBondContact OG-CB 3.01Å; S242-H245 PolarHBondContact OG-N 2.75Å; S242-H245 VanDerWaalsContact OG-N 3.1Å
246	S	60.5	Low	81.3	Confident	62 Å²	62	48.9 Å²	48.9	43%	0.434	25%	0.25	S	C	.	.			trans	-73.4	-29.9	-171.9	55.8	0	0	0	0	113.8	S242 M248 V249	S242-S246 WeakPolarHBondContact O-CA 3.41Å; S242-S246 WeakPolarHBondContact O-CB 3.18Å; S246-M248 PolarHBondContact O-N 2.66Å; S246-V249 VanDerWaalsContact O-CB 3.23Å; S246-V249 WeakPolarHBondContact O-CB 3.35Å; S246-V249 WeakPolarHBondContact O-CG1 3.49Å; S246-V249 PolarHBondContact O-N 3.31Å
247	G	66.3	Low	81.2	Confident	62 Å²	62	47.6 Å²	47.6	64%	0.639	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.7	-131.8	178.3	0	0	0	0	0	113
248	M	73.4	Confident	80.8	Confident	83 Å²	83	49.1 Å²	49.1	41%	0.409	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.8	7.8	174.2	-66.7	-174.4	-68.3	0	0	113.8	S246 R250 Q251 V252 T356	S246-M248 PolarHBondContact O-N 2.66Å; M248-R250 PolarHBondContact O-N 2.94Å; M248-R250 VanDerWaalsContact O-N 3.12Å; M248-Q251 WeakPolarHBondContact O-CB 3.34Å; M248-Q251 PolarHBondContact O-N 3.04Å; M248-V252 HydrophobicContact CB-CG2 4.48Å; M248-V252 WeakPolarHBondContact O-CG2 3.5Å; M248-V252 PolarHBondContact O-N 3.42Å; M248-T356 WeakPolarHBondContact CE-OG1 3.42Å
249	V	74.1	Confident	80.2	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.018	28%	0.275	C	S	.	.	H	α-helix	trans	-58	-36	-168.9	77.7	0	0	0	0	113	V241 S246 V252 A253 I291 V293	V241-V249 HydrophobicContact CB-CB 4.47Å; V241-V249 HydrophobicContact CB-CG1 3.6Å; V241-V249 HydrophobicContact CB-CG2 4.02Å; V241-V249 HydrophobicContact CG1-CB 4.34Å; V241-V249 HydrophobicContact CG1-CG1 3.79Å; V241-V249 HydrophobicContact CG1-CG2 3.54Å; V241-V249 HydrophobicContact CG2-CG1 3.82Å; S246-V249 VanDerWaalsContact O-CB 3.23Å; S246-V249 WeakPolarHBondContact O-CB 3.35Å; S246-V249 WeakPolarHBondContact O-CG1 3.49Å; S246-V249 PolarHBondContact O-N 3.31Å; V249-V252 PolarHBondContact O-N 3.35Å; V249-A253 WeakPolarHBondContact O-CB 3.48Å; V249-A253 PolarHBondContact O-N 3.45Å; V249-I291 HydrophobicContact CG2-CB 4.06Å; V249-I291 HydrophobicContact CG2-CG2 3.75Å; V249-V293 HydrophobicContact CB-CG1 4.21Å; V249-V293 HydrophobicContact CB-CG2 3.98Å; V249-V293 HydrophobicContact CG2-CG1 4Å
250	R	77.5	Confident	79.8	Confident	170 Å²	170	58.9 Å²	58.9	64%	0.642	31%	0.31	S	S	*	.	H	α-helix	trans	-65.9	-43.1	178	-178.3	175.1	-174.9	-159.5	1.6	111.1	M248 L254 I263	M248-R250 PolarHBondContact O-N 2.94Å; M248-R250 VanDerWaalsContact O-N 3.12Å; R250-L254 HydrophobicContact CG-CD1 3.92Å; R250-L254 HydrophobicContact CG-CG 4.49Å; R250-L254 WeakPolarHBondContact O-CB 3.42Å; R250-L254 VanDerWaalsContact O-CG 3.23Å; R250-L254 WeakPolarHBondContact O-CG 3.32Å; R250-L254 PolarHBondContact O-N 3.22Å; R250-I263 HydrophobicContact CG-CG1 4.33Å
251	Q	79.5	Confident	79.4	Confident	108 Å²	108	59.4 Å²	59.4	51%	0.505	31%	0.314	S	S	.	.	H	α-helix	trans	-65.7	-46.2	177.5	-178.6	175.8	3.8	0	0	110.4	M248 A253 L254 Q255	M248-Q251 WeakPolarHBondContact O-CB 3.34Å; M248-Q251 PolarHBondContact O-N 3.04Å; Q251-A253 VanDerWaalsContact C-N 3.35Å; Q251-A253 PolarHBondContact O-N 3.13Å; Q251-L254 PolarHBondContact O-N 3.43Å; Q251-Q255 HydrophobicContact CG-CG 4.3Å; Q251-Q255 VanDerWaalsContact O-CB 3.31Å; Q251-Q255 WeakPolarHBondContact O-CB 3.23Å; Q251-Q255 VanDerWaalsContact O-CG 3.25Å; Q251-Q255 WeakPolarHBondContact O-CG 3.12Å; Q251-Q255 PolarHBondContact O-N 3.03Å
252	V	79.3	Confident	79.4	Confident	4 Å²	4	62.5 Å²	62.5	2%	0.024	33%	0.332	C	S	.	.	H	α-helix	trans	-55.8	-50.5	175.5	172.1	0	0	0	0	110.7	M248 V249 L254 Q255 T256 L350 P351 L353	M248-V252 HydrophobicContact CB-CG2 4.48Å; M248-V252 WeakPolarHBondContact O-CG2 3.5Å; M248-V252 PolarHBondContact O-N 3.42Å; V249-V252 PolarHBondContact O-N 3.35Å; V252-L254 PolarHBondContact O-N 3.48Å; V252-Q255 PolarHBondContact O-N 3.07Å; V252-T256 WeakPolarHBondContact O-CB 3.11Å; V252-T256 PolarHBondContact O-N 3.12Å; V252-T256 PolarHBondContact O-OG1 3.47Å; V252-L350 HydrophobicContact CG1-CD2 4.18Å; V252-P351 HydrophobicContact CB-CG 4.47Å; V252-P351 HydrophobicContact CG1-CG 3.93Å; V252-P351 HydrophobicContact CG2-CG 4.26Å; V252-L353 HydrophobicContact CG1-CD1 4.31Å; V252-L353 HydrophobicContact CG2-CD1 4.07Å; V252-L353 HydrophobicContact CG2-CD2 3.69Å; V252-L353 HydrophobicContact CG2-CG 4.41Å
253	A	81.7	Confident	79.7	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-60.7	-47	179.9	0	0	0	0	0	112.6	I239 V249 Q251 T256 F257 I263	I239-A253 HydrophobicContact CD1-CB 3.96Å; V249-A253 WeakPolarHBondContact O-CB 3.48Å; V249-A253 PolarHBondContact O-N 3.45Å; Q251-A253 VanDerWaalsContact C-N 3.35Å; Q251-A253 PolarHBondContact O-N 3.13Å; A253-T256 PolarHBondContact O-N 3.47Å; A253-F257 WeakPolarHBondContact O-CB 3.42Å; A253-F257 WeakPolarHBondContact O-CD2 3.44Å; A253-F257 PolarHBondContact O-N 3.01Å; A253-I263 HydrophobicContact CB-CD1 3.46Å; A253-I263 VanDerWaalsContact CB-CD1 3.46Å
254	L	84.2	Confident	80.2	Confident	44 Å²	44	59.9 Å²	59.9	23%	0.23	32%	0.324	C	S	.	.	H	α-helix	trans	-69.3	-35.9	-179.7	-67.9	171.9	0	0	0	112.5	R250 Q251 V252 G258	R250-L254 HydrophobicContact CG-CD1 3.92Å; R250-L254 HydrophobicContact CG-CG 4.49Å; R250-L254 WeakPolarHBondContact O-CB 3.42Å; R250-L254 VanDerWaalsContact O-CG 3.23Å; R250-L254 WeakPolarHBondContact O-CG 3.32Å; R250-L254 PolarHBondContact O-N 3.22Å; Q251-L254 PolarHBondContact O-N 3.43Å; V252-L254 PolarHBondContact O-N 3.48Å; L254-G258 CarbonylContact O-C 3.45Å; L254-G258 WeakPolarHBondContact O-CA 3.38Å; L254-G258 PolarHBondContact O-N 2.88Å
255	Q	83.2	Confident	81.5	Confident	125 Å²	125	61.2 Å²	61.2	58%	0.584	33%	0.332	S	S	*	.	H	α-helix	trans	-67.4	-38.6	174.1	-74.4	177.4	-19.2	0	0	111.8	Q251 V252	Q251-Q255 HydrophobicContact CG-CG 4.3Å; Q251-Q255 VanDerWaalsContact O-CB 3.31Å; Q251-Q255 WeakPolarHBondContact O-CB 3.23Å; Q251-Q255 VanDerWaalsContact O-CG 3.25Å; Q251-Q255 WeakPolarHBondContact O-CG 3.12Å; Q251-Q255 PolarHBondContact O-N 3.03Å; V252-Q255 PolarHBondContact O-N 3.07Å
256	T	82.3	Confident	82.9	Confident	20 Å²	20	58.6 Å²	58.6	12%	0.123	32%	0.32	C	S	.	.	H	α-helix	trans	-76.4	-41.9	-176.5	-57.1	0	0	0	0	112.5	V252 A253 K349 L350 P351	V252-T256 WeakPolarHBondContact O-CB 3.11Å; V252-T256 PolarHBondContact O-N 3.12Å; V252-T256 PolarHBondContact O-OG1 3.47Å; A253-T256 PolarHBondContact O-N 3.47Å; T256-K349 HydrophobicContact CG2-CB 3.55Å; T256-K349 WeakPolarHBondContact CG2-O 3.32Å; T256-L350 HydrophobicContact CG2-CD2 4.27Å; T256-P351 VanDerWaalsContact OG1-CD 3.3Å; T256-P351 WeakPolarHBondContact OG1-CD 3.2Å
257	F	85.1	Confident	84.6	Confident	19 Å²	19	55.7 Å²	55.7	8%	0.083	30%	0.299	C	S	.	.	H	α-helix	trans	-117.6	-1.5	-168.1	-59.4	-75	0	0	0	113.7	P237 I239 A253 T261 L289 I291 L346 K349	P237-F257 HydrophobicContact CG-CB 3.91Å; P237-F257 HydrophobicContact CG-CD1 3.7Å; P237-F257 HydrophobicContact CG-CD2 4.4Å; P237-F257 HydrophobicContact CG-CE1 4.33Å; P237-F257 HydrophobicContact CG-CG 3.74Å; I239-F257 HydrophobicContact CD1-CD2 3.24Å; I239-F257 HydrophobicContact CD1-CE2 3.55Å; I239-F257 HydrophobicContact CD1-CG 3.98Å; I239-F257 HydrophobicContact CD1-CZ 4.48Å; A253-F257 WeakPolarHBondContact O-CB 3.42Å; A253-F257 WeakPolarHBondContact O-CD2 3.44Å; A253-F257 PolarHBondContact O-N 3.01Å; F257-T261 VanDerWaalsContact C-OG1 3.28Å; F257-T261 HydrophobicContact CB-CG2 4.16Å; F257-T261 WeakPolarHBondContact CB-OG1 3.06Å; F257-T261 PolarHBondContact O-OG1 3.4Å; F257-L289 HydrophobicContact CD1-CD1 4.5Å; F257-L289 HydrophobicContact CE1-CD1 3.79Å; F257-L289 HydrophobicContact CE2-CD1 3.94Å; F257-L289 HydrophobicContact CZ-CD1 3.47Å; F257-L289 VanDerWaalsContact CZ-CD1 3.47Å; F257-I291 HydrophobicContact CE2-CD1 3.86Å; F257-L346 HydrophobicContact CE1-CD2 3.62Å; F257-L346 HydrophobicContact CZ-CD2 4.07Å; F257-K349 HydrophobicContact CE1-CD 4.34Å
258	G	84.5	Confident	86	Confident	31 Å²	31	53 Å²	53	32%	0.32	27%	0.272	S	S	.	.			trans	83.7	169.3	177.6	0	0	0	0	0	114.1	L254 Q260 T261	L254-G258 CarbonylContact O-C 3.45Å; L254-G258 WeakPolarHBondContact O-CA 3.38Å; L254-G258 PolarHBondContact O-N 2.88Å; G258-Q260 PolarHBondContact O-N 3.41Å; G258-Q260 VanDerWaalsContact O-N 3.14Å; G258-T261 VanDerWaalsContact O-CB 3.24Å; G258-T261 WeakPolarHBondContact O-CB 3.34Å; G258-T261 PolarHBondContact O-N 3.04Å; G258-T261 VanDerWaalsContact O-N 3.12Å; G258-T261 PolarHBondContact O-OG1 2.79Å
259	N	85.1	Confident	87.2	Confident	149 Å²	149	49.3 Å²	49.3	80%	0.797	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-12.9	-171.6	-67.2	-20.2	0	0	0	115	T261	N259-T261 VanDerWaalsContact C-N 3.27Å
260	Q	85.6	Confident	88.3	Confident	157 Å²	157	49.2 Å²	49.2	73%	0.734	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-3.7	176.3	-66.4	-177.7	-23	0	0	112.9	T236 G258	T236-Q260 HydrophobicContact CG2-CB 3.81Å; G258-Q260 PolarHBondContact O-N 3.41Å; G258-Q260 VanDerWaalsContact O-N 3.14Å
261	T	88.9	Confident	89.3	Confident	11 Å²	11	41.1 Å²	41.1	7%	0.067	22%	0.224	C	C	.	.	P	Polyproline II helix	trans	-66.6	130.4	178.1	-57.7	0	0	0	0	110.7	P237 I239 F257 G258 N259 I263	P237-T261 HydrophobicContact CG-CG2 4.36Å; P237-T261 WeakPolarHBondContact O-CG2 3.42Å; I239-T261 HydrophobicContact CD1-CG2 3.58Å; I239-T261 HydrophobicContact CG1-CG2 3.72Å; F257-T261 VanDerWaalsContact C-OG1 3.28Å; F257-T261 HydrophobicContact CB-CG2 4.16Å; F257-T261 WeakPolarHBondContact CB-OG1 3.06Å; F257-T261 PolarHBondContact O-OG1 3.4Å; G258-T261 VanDerWaalsContact O-CB 3.24Å; G258-T261 WeakPolarHBondContact O-CB 3.34Å; G258-T261 PolarHBondContact O-N 3.04Å; G258-T261 VanDerWaalsContact O-N 3.12Å; G258-T261 PolarHBondContact O-OG1 2.79Å; N259-T261 VanDerWaalsContact C-N 3.27Å; T261-I263 HydrophobicContact CG2-CD1 3.89Å
262	T	93.3	Very high	90.2	Very high	68 Å²	68	36.4 Å²	36.4	42%	0.417	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	124.5	174.8	-60.6	0	0	0	0	109.2	P237 R238 I239 I264	P237-T262 PolarHBondContact O-N 3.18Å; R238-T262 CarbonylContact C-O 3.52Å; R238-T262 WeakPolarHBondContact CA-O 3.48Å; R238-T262 HydrophobicContact CG-CG2 4.43Å; I239-T262 PolarHBondContact N-O 3.13Å; T262-I264 HydrophobicContact CG2-CG1 4.3Å
263	I	92.6	Very high	91.2	Very high	37 Å²	37	36.2 Å²	36.2	19%	0.19	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	130	175.7	-54.1	-58.6	0	0	0	109.1	I239 V241 R250 A253 T261	I239-I263 HydrophobicContact CB-CD1 4.1Å; I239-I263 WeakPolarHBondContact O-CA 3.43Å; V241-I263 HydrophobicContact CG1-CG2 4.3Å; V241-I263 HydrophobicContact CG2-CG2 3.54Å; R250-I263 HydrophobicContact CG-CG1 4.33Å; A253-I263 HydrophobicContact CB-CD1 3.46Å; A253-I263 VanDerWaalsContact CB-CD1 3.46Å; T261-I263 HydrophobicContact CG2-CD1 3.89Å
264	I	95	Very high	92	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.036	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	100	-179.9	-57.3	173.7	0	0	0	108.2	R238 I239 V240 V241 T262 A266 E285 K286 A287	R238-I264 HydrophobicContact CB-CD1 4.02Å; I239-I264 PolarHBondContact O-N 3.47Å; V240-I264 WeakPolarHBondContact CA-O 3.24Å; V240-I264 HydrophobicContact CB-CB 4.41Å; V240-I264 HydrophobicContact CG2-CB 4.34Å; V240-I264 HydrophobicContact CG2-CG2 4.25Å; V240-I264 WeakPolarHBondContact CG2-O 3.45Å; V241-I264 PolarHBondContact N-O 3.27Å; T262-I264 HydrophobicContact CG2-CG1 4.3Å; I264-A266 PolarHBondContact O-N 3.42Å; I264-E285 HydrophobicContact CG2-CB 4.26Å; I264-E285 VanDerWaalsContact CG2-CD 3.43Å; I264-E285 HydrophobicContact CG2-CG 4.44Å; I264-E285 WeakPolarHBondContact CG2-OE1 3.4Å; I264-E285 WeakPolarHBondContact CG2-OE2 3.18Å; I264-K286 WeakPolarHBondContact CD1-O 3.4Å; I264-A287 HydrophobicContact CD1-CB 4.33Å
265	P	94.4	Very high	92.7	Very high	71 Å²	71	34.1 Å²	34.1	46%	0.461	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	122.8	173.5	-13.5	29.3	0	0	0	110.3	R243	R243-P265 HydrophobicContact CB-CB 4.08Å; R243-P265 HydrophobicContact CG-CB 4.42Å
266	A	95.4	Very high	93.4	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	147.4	178.8	0	0	0	0	0	112.3	Y189 V240 V241 S242 R243 I264 Y271 K272	Y189-A266 HydrophobicContact CD1-CB 4.18Å; Y189-A266 HydrophobicContact CE1-CB 3.63Å; V240-A266 HydrophobicContact CG2-CB 3.71Å; V241-A266 PolarHBondContact O-N 3.01Å; S242-A266 WeakPolarHBondContact CA-O 3.26Å; R243-A266 PolarHBondContact N-O 2.96Å; I264-A266 PolarHBondContact O-N 3.42Å; A266-Y271 HydrophobicContact CB-CD1 3.71Å; A266-Y271 HydrophobicContact CB-CE1 3.78Å; A266-K272 HydrophobicContact CB-CG 4.1Å
267	G	95.3	Very high	94.2	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.01	16%	0.156	C	C	.	.			trans	-81.9	163.9	167	0	0	0	0	0	111.5	Y189 Y271	Y189-G267 WeakPolarHBondContact CD1-O 3.48Å; G267-Y271 WeakPolarHBondContact O-CB 3.15Å
268	G	96.5	Very high	94.8	Very high	6 Å²	6	30.4 Å²	30.4	6%	0.062	17%	0.173	C	C	.	.			trans	73.9	121.3	174.5	0	0	0	0	0	115.2	D177 G270 K272	D177-G268 VanDerWaalsContact CG-CA 3.47Å; D177-G268 VanDerWaalsContact OD1-CA 3.24Å; D177-G268 WeakPolarHBondContact OD1-CA 3.42Å; D177-G268 WeakPolarHBondContact OD2-CA 3.32Å; G268-G270 VanDerWaalsContact C-N 3.34Å; G268-K272 WeakPolarHBondContact O-CG 3.39Å; G268-K272 PolarHBondContact O-N 3.26Å; G268-K272 PolarHBondContact O-NZ 3.38Å
269	A	97.5	Very high	95.4	Very high	5 Å²	5	29.5 Å²	29.5	4%	0.041	16%	0.162	C	C	.	.	H	α-helix	trans	-64	-40.3	175.4	0	0	0	0	0	111.7	D177 Y271 K272 V273 I296 D300	D177-A269 VanDerWaalsContact CG-N 3.29Å; D177-A269 PolarHBondContact OD1-N 3.04Å; D177-A269 PolarHBondContact OD2-N 2.78Å; A269-Y271 PolarHBondContact O-N 3.11Å; A269-K272 PolarHBondContact O-N 3.33Å; A269-V273 PolarHBondContact O-N 3.41Å; A269-V273 VanDerWaalsContact O-N 3.13Å; A269-I296 HydrophobicContact CB-CD1 4.44Å; A269-D300 HydrophobicContact CB-CB 3.76Å; A269-D300 WeakPolarHBondContact CB-O 3.3Å
270	G	98.3	Very high	95.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.01	16%	0.157	C	C	.	.	H	α-helix	trans	-60.7	-45.9	175.4	0	0	0	0	0	112	D177 M193 G268 K272 V273 L274	D177-G270 PolarHBondContact OD2-N 3.46Å; M193-G270 WeakPolarHBondContact SD-CA 3.14Å; G268-G270 VanDerWaalsContact C-N 3.34Å; G270-K272 VanDerWaalsContact C-N 3.32Å; G270-K272 PolarHBondContact O-N 2.79Å; G270-V273 PolarHBondContact O-N 3.46Å; G270-L274 WeakPolarHBondContact O-CG 3.31Å; G270-L274 PolarHBondContact O-N 3.49Å
271	Y	98.6	Very high	96.2	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-57.9	-42.8	175.5	-177.5	-88	0	0	0	112.7	K188 Y189 A266 G267 A269 V273 L274 A275 S283 Q284 E285	K188-Y271 WeakPolarHBondContact O-CD2 3.33Å; K188-Y271 VanDerWaalsContact O-CE2 3.32Å; K188-Y271 WeakPolarHBondContact O-CE2 3.42Å; Y189-Y271 AromaticContact CD1-CD1 3.61Å; Y189-Y271 HydrophobicContact CD1-CD1 3.61Å; Y189-Y271 AromaticContact CD1-CD2 3.87Å; Y189-Y271 HydrophobicContact CD1-CD2 3.87Å; Y189-Y271 AromaticContact CD1-CE1 3.75Å; Y189-Y271 HydrophobicContact CD1-CE1 3.75Å; Y189-Y271 HydrophobicContact CD1-CE2 4Å; Y189-Y271 AromaticContact CD1-CG 3.68Å; Y189-Y271 HydrophobicContact CD1-CG 3.68Å; Y189-Y271 AromaticContact CD1-CZ 3.94Å; Y189-Y271 AromaticContact CE1-CD1 3.91Å; Y189-Y271 HydrophobicContact CE1-CD1 3.91Å; Y189-Y271 AromaticContact CE1-CE1 3.6Å; Y189-Y271 HydrophobicContact CE1-CE1 3.6Å; Y189-Y271 HydrophobicContact CE1-CE2 4.34Å; Y189-Y271 HydrophobicContact CE1-CG 4.4Å; Y189-Y271 AromaticContact CE1-CZ 3.85Å; A266-Y271 HydrophobicContact CB-CD1 3.71Å; A266-Y271 HydrophobicContact CB-CE1 3.78Å; G267-Y271 WeakPolarHBondContact O-CB 3.15Å; A269-Y271 PolarHBondContact O-N 3.11Å; Y271-V273 VanDerWaalsContact C-N 3.33Å; Y271-V273 PolarHBondContact O-N 2.93Å; Y271-L274 PolarHBondContact O-N 3.13Å; Y271-A275 PolarHBondContact O-N 2.86Å; Y271-S283 PolarHBondContact OH-O 3.14Å; Y271-Q284 PolarHBondContact O-NE2 3.19Å; Y271-E285 PolarHBondContact OH-N 3.39Å
272	K	98.5	Very high	96.2	Very high	8 Å²	8	31.2 Å²	31.2	4%	0.035	17%	0.171	C	C	.	.	H	α-helix	trans	-65.9	-35.6	-179.4	-71.3	-173.3	-66.8	-70.2	0	112	V240 A266 G268 A269 G270 A275 Y290	V240-K272 HydrophobicContact CG1-CB 3.99Å; V240-K272 HydrophobicContact CG1-CG 4.28Å; V240-K272 HydrophobicContact CG2-CB 4.29Å; V240-K272 HydrophobicContact CG2-CD 4.26Å; V240-K272 HydrophobicContact CG2-CG 3.73Å; A266-K272 HydrophobicContact CB-CG 4.1Å; G268-K272 WeakPolarHBondContact O-CG 3.39Å; G268-K272 PolarHBondContact O-N 3.26Å; G268-K272 PolarHBondContact O-NZ 3.38Å; A269-K272 PolarHBondContact O-N 3.33Å; G270-K272 VanDerWaalsContact C-N 3.32Å; G270-K272 PolarHBondContact O-N 2.79Å; K272-A275 WeakPolarHBondContact O-CB 3.41Å; K272-A275 PolarHBondContact O-N 2.96Å; K272-Y290 HydrophobicContact CB-CD1 4.06Å; K272-Y290 HydrophobicContact CB-CD2 4Å; K272-Y290 HydrophobicContact CB-CE1 4.06Å; K272-Y290 HydrophobicContact CB-CE2 4.09Å; K272-Y290 HydrophobicContact CB-CG 4.04Å; K272-Y290 HydrophobicContact CD-CD2 3.96Å; K272-Y290 HydrophobicContact CD-CE2 3.56Å; K272-Y290 VanDerWaalsContact CE-OH 3.25Å; K272-Y290 WeakPolarHBondContact CE-OH 3.22Å; K272-Y290 HydrophobicContact CG-CE2 4.43Å
273	V	98.7	Very high	96.2	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.006	17%	0.167	C	C	.	.	H	α-helix	trans	-70.6	-44.2	173.4	174.3	0	0	0	0	111.3	I207 A269 G270 Y271 A275 L276 Y290 L308 M315	I207-V273 HydrophobicContact CD1-CB 4.43Å; I207-V273 HydrophobicContact CD1-CG1 4.47Å; A269-V273 PolarHBondContact O-N 3.41Å; A269-V273 VanDerWaalsContact O-N 3.13Å; G270-V273 PolarHBondContact O-N 3.46Å; Y271-V273 VanDerWaalsContact C-N 3.33Å; Y271-V273 PolarHBondContact O-N 2.93Å; V273-A275 PolarHBondContact O-N 2.81Å; V273-L276 WeakPolarHBondContact O-CB 3.49Å; V273-L276 PolarHBondContact O-N 2.9Å; V273-Y290 HydrophobicContact CG2-CD1 3.98Å; V273-Y290 HydrophobicContact CG2-CE1 4.15Å; V273-L308 HydrophobicContact CG1-CD1 4.1Å; V273-L308 HydrophobicContact CG1-CD2 4.42Å; V273-L308 HydrophobicContact CG1-CG 3.97Å; V273-M315 HydrophobicContact CG2-CE 3.7Å
274	L	98.8	Very high	96.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-58.5	-28.9	175.5	-71.3	-175.2	0	0	0	112.7	I207 K209 A216 G270 Y271 L276 L277 V279	I207-L274 HydrophobicContact CB-CD2 4.45Å; I207-L274 HydrophobicContact CD1-CD2 4.31Å; I207-L274 HydrophobicContact CD1-CG 4.33Å; I207-L274 HydrophobicContact CG2-CD1 3.75Å; I207-L274 HydrophobicContact CG2-CD2 4.49Å; I207-L274 HydrophobicContact CG2-CG 4.08Å; K209-L274 HydrophobicContact CD-CD1 3.86Å; K209-L274 HydrophobicContact CG-CD1 3.89Å; A216-L274 HydrophobicContact CB-CD2 3.68Å; G270-L274 WeakPolarHBondContact O-CG 3.31Å; G270-L274 PolarHBondContact O-N 3.49Å; Y271-L274 PolarHBondContact O-N 3.13Å; L274-L276 PolarHBondContact O-N 3.35Å; L274-L277 HydrophobicContact CD2-CD1 4.44Å; L274-L277 PolarHBondContact O-N 2.91Å; L274-V279 HydrophobicContact CB-CG2 4.12Å; L274-V279 HydrophobicContact CD2-CG2 4.04Å
275	A	98.6	Very high	96.5	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-22.1	175.8	0	0	0	0	0	113.6	V240 Y271 K272 V273 L277 Q284 E285 A287	V240-A275 HydrophobicContact CG1-CB 4.37Å; Y271-A275 PolarHBondContact O-N 2.86Å; K272-A275 WeakPolarHBondContact O-CB 3.41Å; K272-A275 PolarHBondContact O-N 2.96Å; V273-A275 PolarHBondContact O-N 2.81Å; A275-L277 VanDerWaalsContact C-N 3.32Å; A275-Q284 VanDerWaalsContact N-NE2 3.15Å; A275-E285 WeakPolarHBondContact CA-O 3.35Å; A275-E285 WeakPolarHBondContact CB-O 3.32Å; A275-A287 HydrophobicContact CB-CB 3.98Å; A275-A287 PolarHBondContact O-N 2.67Å
276	L	98.7	Very high	96.6	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-11.8	176.5	-52.5	-174.3	0	0	0	112.8	Y232 V273 L274 A287 L308 A337 I339	Y232-L276 VanDerWaalsContact CE1-O 3.26Å; Y232-L276 WeakPolarHBondContact CE1-O 3.46Å; Y232-L276 PolarHBondContact OH-O 3.02Å; V273-L276 WeakPolarHBondContact O-CB 3.49Å; V273-L276 PolarHBondContact O-N 2.9Å; L274-L276 PolarHBondContact O-N 3.35Å; L276-A287 HydrophobicContact CD2-CB 4.03Å; L276-A287 WeakPolarHBondContact CD2-O 3.36Å; L276-L308 HydrophobicContact CB-CD2 4.47Å; L276-L308 HydrophobicContact CD1-CD1 4.31Å; L276-L308 HydrophobicContact CD1-CD2 4.23Å; L276-A337 HydrophobicContact CD1-CB 4.06Å; L276-I339 HydrophobicContact CB-CG2 4.29Å
277	L	98.7	Very high	96.7	Very high	3 Å²	3	33.5 Å²	33.5	2%	0.016	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	168.9	-168.2	-56.4	-179.3	0	0	0	112.4	V226 R229 L274 A275 V279 I307 L308 L311 I339	V226-L277 HydrophobicContact CG1-CD1 4.31Å; V226-L277 HydrophobicContact CG2-CB 3.89Å; V226-L277 HydrophobicContact CG2-CD1 3.9Å; V226-L277 HydrophobicContact CG2-CG 4.48Å; R229-L277 VanDerWaalsContact CG-C 3.43Å; R229-L277 WeakPolarHBondContact CG-O 3.5Å; L274-L277 HydrophobicContact CD2-CD1 4.44Å; L274-L277 PolarHBondContact O-N 2.91Å; A275-L277 VanDerWaalsContact C-N 3.32Å; L277-V279 HydrophobicContact CB-CG2 4.2Å; L277-V279 PolarHBondContact O-N 3.4Å; L277-I307 HydrophobicContact CD1-CG2 3.48Å; L277-I307 VanDerWaalsContact CD1-CG2 3.48Å; L277-L308 HydrophobicContact CD2-CD2 4.08Å; L277-L311 HydrophobicContact CD1-CD1 4.24Å; L277-L311 HydrophobicContact CD2-CD1 3.59Å; L277-I339 HydrophobicContact CD2-CD1 4.13Å
278	D	98	Very high	96.8	Very high	82 Å²	82	33.9 Å²	33.9	44%	0.439	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	84.8	174.2	-165.5	30.6	0	0	0	110	K227 R229	K227-D278 PolarHBondContact O-N 2.81Å; R229-D278 HydrophobicContact CG-CB 4.26Å
279	V	97.3	Very high	96.9	Very high	12 Å²	12	33.6 Å²	33.6	7%	0.073	17%	0.172	C	C	.	.			trans	-98.6	128.9	-178.1	174.9	0	0	0	0	109.7	Y214 L274 L277 D281 Q284	Y214-V279 HydrophobicContact CD1-CG1 3.82Å; Y214-V279 HydrophobicContact CE1-CB 4.39Å; Y214-V279 HydrophobicContact CE1-CG1 3.55Å; Y214-V279 HydrophobicContact CE1-CG2 4.2Å; L274-V279 HydrophobicContact CB-CG2 4.12Å; L274-V279 HydrophobicContact CD2-CG2 4.04Å; L277-V279 HydrophobicContact CB-CG2 4.2Å; L277-V279 PolarHBondContact O-N 3.4Å; V279-D281 HydrophobicContact CG1-CB 3.79Å; V279-D281 PolarHBondContact O-N 2.62Å; V279-Q284 HydrophobicContact CB-CB 4.39Å; V279-Q284 HydrophobicContact CB-CG 4.03Å; V279-Q284 HydrophobicContact CG1-CB 4.27Å; V279-Q284 HydrophobicContact CG1-CG 4.23Å; V279-Q284 HydrophobicContact CG2-CG 4.42Å
280	P	94.1	Very high	96.8	Very high	109 Å²	109	33.4 Å²	33.4	71%	0.708	17%	0.17	S	C	*	.	S	Bend	trans	-77.9	42.9	179.5	35	-37.6	0	0	0	113	Y214	Y214-P280 HydrophobicContact CD2-CG 3.85Å; Y214-P280 VanDerWaalsContact CE2-CD 3.44Å; Y214-P280 HydrophobicContact CE2-CG 3.51Å
281	D	92.8	Very high	96.6	Very high	24 Å²	24	33.3 Å²	33.3	13%	0.128	17%	0.17	C	C	.	.			trans	-121.3	120.2	177.6	-175	-24.8	0	0	0	109.2	K209 S212 V279 S283 Q284	K209-D281 WeakPolarHBondContact CE-OD2 3.33Å; S212-D281 WeakPolarHBondContact CB-OD2 3.26Å; S212-D281 PolarHBondContact OG-OD2 3Å; V279-D281 HydrophobicContact CG1-CB 3.79Å; V279-D281 PolarHBondContact O-N 2.62Å; D281-S283 VanDerWaalsContact CG-OG 3.29Å; D281-S283 PolarHBondContact O-N 3.34Å; D281-S283 WeakPolarHBondContact OD1-CA 3.28Å; D281-S283 WeakPolarHBondContact OD1-CB 3.41Å; D281-S283 PolarHBondContact OD1-N 2.98Å; D281-S283 PolarHBondContact OD1-OG 3.2Å; D281-S283 PolarHBondContact OD2-OG 2.94Å; D281-Q284 HydrophobicContact CB-CB 4.12Å; D281-Q284 WeakPolarHBondContact O-CB 3.48Å; D281-Q284 PolarHBondContact O-N 2.79Å; D281-Q284 VanDerWaalsContact O-N 3.09Å
282	K	90.2	Very high	96.4	Very high	220 Å²	220	33.8 Å²	33.8	96%	0.957	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.6	-178.6	-66.4	-179.3	-178.9	175.3	0	113.1	Q284	K282-Q284 VanDerWaalsContact C-N 3.35Å
283	S	92.3	Very high	95.9	Very high	48 Å²	48	34.9 Å²	34.9	34%	0.336	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-7.6	177.8	75.7	0	0	0	0	113.4	Y271 D281 E285	Y271-S283 PolarHBondContact OH-O 3.14Å; D281-S283 VanDerWaalsContact CG-OG 3.29Å; D281-S283 PolarHBondContact O-N 3.34Å; D281-S283 WeakPolarHBondContact OD1-CA 3.28Å; D281-S283 WeakPolarHBondContact OD1-CB 3.41Å; D281-S283 PolarHBondContact OD1-N 2.98Å; D281-S283 PolarHBondContact OD1-OG 3.2Å; D281-S283 PolarHBondContact OD2-OG 2.94Å; S283-E285 PolarHBondContact O-N 3.26Å
284	Q	96.5	Very high	95.3	Very high	17 Å²	17	36 Å²	36	8%	0.079	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-79.8	116	177.6	-170.5	63.1	52.3	0	0	110.2	Y271 A275 V279 D281 K282	Y271-Q284 PolarHBondContact O-NE2 3.19Å; A275-Q284 VanDerWaalsContact N-NE2 3.15Å; V279-Q284 HydrophobicContact CB-CB 4.39Å; V279-Q284 HydrophobicContact CB-CG 4.03Å; V279-Q284 HydrophobicContact CG1-CB 4.27Å; V279-Q284 HydrophobicContact CG1-CG 4.23Å; V279-Q284 HydrophobicContact CG2-CG 4.42Å; D281-Q284 HydrophobicContact CB-CB 4.12Å; D281-Q284 WeakPolarHBondContact O-CB 3.48Å; D281-Q284 PolarHBondContact O-N 2.79Å; D281-Q284 VanDerWaalsContact O-N 3.09Å; K282-Q284 VanDerWaalsContact C-N 3.35Å
285	E	96.6	Very high	94.8	Very high	59 Å²	59	37.7 Å²	37.7	28%	0.276	19%	0.193	S	C	.	.	P	Polyproline II helix	trans	-70.2	145.3	173.9	-71.7	176.8	110.2	0	0	110.4	K188 I264 Y271 A275 S283	K188-E285 IonicContact NZ-OE2 3.92Å; I264-E285 HydrophobicContact CG2-CB 4.26Å; I264-E285 VanDerWaalsContact CG2-CD 3.43Å; I264-E285 HydrophobicContact CG2-CG 4.44Å; I264-E285 WeakPolarHBondContact CG2-OE1 3.4Å; I264-E285 WeakPolarHBondContact CG2-OE2 3.18Å; Y271-E285 PolarHBondContact OH-N 3.39Å; A275-E285 WeakPolarHBondContact CA-O 3.35Å; A275-E285 WeakPolarHBondContact CB-O 3.32Å; S283-E285 PolarHBondContact O-N 3.26Å
286	K	97.4	Very high	94.5	Very high	108 Å²	108	38.1 Å²	38.1	47%	0.47	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-96.2	124.6	176.4	-67.9	-178	178.7	-173.5	0	109.5	R238 I264	R238-K286 PolarHBondContact NE-O 2.94Å; R238-K286 PolarHBondContact NH2-O 3.12Å; I264-K286 WeakPolarHBondContact CD1-O 3.4Å
287	A	97.8	Very high	94.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.207	C	C	.	.			trans	-130.1	151.6	177.7	0	0	0	0	0	110.6	R229 V240 I264 A275 L276	R229-A287 PolarHBondContact NH2-O 3.07Å; V240-A287 HydrophobicContact CB-CB 3.69Å; V240-A287 HydrophobicContact CG1-CB 3.86Å; I264-A287 HydrophobicContact CD1-CB 4.33Å; A275-A287 HydrophobicContact CB-CB 3.98Å; A275-A287 PolarHBondContact O-N 2.67Å; L276-A287 HydrophobicContact CD2-CB 4.03Å; L276-A287 WeakPolarHBondContact CD2-O 3.36Å
288	D	97.7	Very high	94.2	Very high	9 Å²	9	40.9 Å²	40.9	5%	0.048	21%	0.207	C	C	.	.	S	Bend	trans	-92.2	-33.6	178.5	-57	-56.6	0	0	0	111.9	R229 Y232 N233 P237 R238 M341	R229-D288 IonicContact CZ-OD1 2.71Å; R229-D288 IonicContact NH1-OD1 3.55Å; R229-D288 IonicContact NH2-OD1 3.31Å; R229-D288 PolarHBondContact NH2-OD1 2.82Å; Y232-D288 WeakPolarHBondContact CA-OD1 3.3Å; N233-D288 PolarHBondContact N-OD1 3.49Å; P237-D288 HydrophobicContact CB-CB 4.02Å; R238-D288 PolarHBondContact N-OD2 3.33Å; R238-D288 PolarHBondContact O-N 3.28Å; D288-M341 HydrophobicContact CB-SD 4.46Å
289	L	97	Very high	94.2	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	147.7	-179.4	-59.2	174.9	0	0	0	110.8	P237 R238 I239 V240 F257 L336 S338 M341 L346	P237-L289 HydrophobicContact CB-CD1 3.89Å; P237-L289 HydrophobicContact CB-CG 4.19Å; P237-L289 HydrophobicContact CG-CD1 3.99Å; R238-L289 PolarHBondContact O-N 3.31Å; I239-L289 CarbonylContact C-O 3.5Å; I239-L289 WeakPolarHBondContact CA-O 3.22Å; I239-L289 HydrophobicContact CD1-CD1 4.07Å; I239-L289 HydrophobicContact CG1-CB 4.17Å; I239-L289 HydrophobicContact CG1-CD1 4.25Å; I239-L289 HydrophobicContact CG2-CB 4.31Å; V240-L289 PolarHBondContact N-O 2.87Å; F257-L289 HydrophobicContact CD1-CD1 4.5Å; F257-L289 HydrophobicContact CE1-CD1 3.79Å; F257-L289 HydrophobicContact CE2-CD1 3.94Å; F257-L289 HydrophobicContact CZ-CD1 3.47Å; F257-L289 VanDerWaalsContact CZ-CD1 3.47Å; L289-L336 HydrophobicContact CD2-CD1 4.49Å; L289-S338 VanDerWaalsContact CD2-CB 3.5Å; L289-M341 HydrophobicContact CD2-CE 3.82Å; L289-M341 HydrophobicContact CD2-SD 3.69Å; L289-M341 HydrophobicContact CG-CE 4.2Å; L289-M341 HydrophobicContact CG-SD 4.42Å; L289-L346 HydrophobicContact CD1-CD2 4.21Å; L289-L346 HydrophobicContact CD2-CD1 3.54Å; L289-L346 HydrophobicContact CD2-CD2 4.45Å
290	Y	96.8	Very high	94.2	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	123.1	165.7	168.7	-152.7	0	0	0	108.7	V240 K272 V273 H292 L335 A337	V240-Y290 HydrophobicContact CG1-CD2 4.18Å; V240-Y290 HydrophobicContact CG1-CG 4.17Å; V240-Y290 WeakPolarHBondContact O-CA 3.16Å; K272-Y290 HydrophobicContact CB-CD1 4.06Å; K272-Y290 HydrophobicContact CB-CD2 4Å; K272-Y290 HydrophobicContact CB-CE1 4.06Å; K272-Y290 HydrophobicContact CB-CE2 4.09Å; K272-Y290 HydrophobicContact CB-CG 4.04Å; K272-Y290 HydrophobicContact CD-CD2 3.96Å; K272-Y290 HydrophobicContact CD-CE2 3.56Å; K272-Y290 VanDerWaalsContact CE-OH 3.25Å; K272-Y290 WeakPolarHBondContact CE-OH 3.22Å; K272-Y290 HydrophobicContact CG-CE2 4.43Å; V273-Y290 HydrophobicContact CG2-CD1 3.98Å; V273-Y290 HydrophobicContact CG2-CE1 4.15Å; Y290-H292 HydrophobicContact CE2-CB 3.99Å; Y290-L335 HydrophobicContact CD1-CD1 3.92Å; Y290-L335 HydrophobicContact CE1-CD1 3.78Å; Y290-L335 HydrophobicContact CE2-CD1 4.46Å; Y290-L335 HydrophobicContact CG-CD1 4.35Å; Y290-A337 HydrophobicContact CD1-CB 4.28Å; Y290-A337 PolarHBondContact N-O 3.18Å; Y290-A337 VanDerWaalsContact N-O 3.08Å; Y290-A337 PolarHBondContact O-N 2.8Å
291	I	94.6	Very high	94.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	134.1	175.8	-57	-178.9	0	0	0	109.5	I239 V240 V249 F257 V293 L318 L336 L350	I239-I291 HydrophobicContact CD1-CD1 4.09Å; I239-I291 HydrophobicContact CG2-CB 4.16Å; I239-I291 HydrophobicContact CG2-CD1 3.84Å; I239-I291 HydrophobicContact CG2-CG1 3.81Å; V240-I291 PolarHBondContact O-N 3.07Å; V249-I291 HydrophobicContact CG2-CB 4.06Å; V249-I291 HydrophobicContact CG2-CG2 3.75Å; F257-I291 HydrophobicContact CE2-CD1 3.86Å; I291-V293 HydrophobicContact CG2-CG1 4.09Å; I291-L318 HydrophobicContact CG2-CD2 4.23Å; I291-L336 HydrophobicContact CD1-CD1 4.16Å; I291-L336 HydrophobicContact CG1-CD1 3.68Å; I291-L350 HydrophobicContact CD1-CD2 4.38Å
292	H	92.4	Very high	94.6	Very high	10 Å²	10	32.8 Å²	32.8	5%	0.046	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	139.1	169.4	-169	79.9	0	0	0	108.6	Y290 T294 Y295 G334 L335	Y290-H292 HydrophobicContact CE2-CB 3.99Å; H292-T294 PolarHBondContact CD2-O 3.18Å; H292-T294 PolarHBondContact CE1-OG1 2.71Å; H292-T294 PolarHBondContact NE2-O 3.38Å; H292-T294 PolarHBondContact NE2-OG1 3.22Å; H292-Y295 PolarHBondContact NE2-O 2.78Å; H292-Y295 VanDerWaalsContact NE2-O 3.11Å; H292-G334 CarbonylContact O-C 3.46Å; H292-G334 WeakPolarHBondContact O-CA 3.39Å; H292-L335 HydrophobicContact CB-CD1 4.47Å; H292-L335 HydrophobicContact CB-CG 4.02Å; H292-L335 PolarHBondContact N-O 2.59Å; H292-L335 PolarHBondContact O-N 3.4Å
293	V	88.7	Confident	95.1	Very high	31 Å²	31	22.3 Å²	22.3	19%	0.188	11%	0.109	C	C	.	.			trans	-121.3	1.9	-172.5	-61.5	0	0	0	0	114.2	V249 I291 L318 L353	V249-V293 HydrophobicContact CB-CG1 4.21Å; V249-V293 HydrophobicContact CB-CG2 3.98Å; V249-V293 HydrophobicContact CG2-CG1 4Å; I291-V293 HydrophobicContact CG2-CG1 4.09Å; V293-L318 HydrophobicContact CB-CD1 4.33Å; V293-L318 HydrophobicContact CG1-CD1 3.95Å; V293-L353 HydrophobicContact CG1-CD1 4.32Å
294	T	85.8	Confident	95.4	Very high	23 Å²	23	20 Å²	20	14%	0.141	9%	0.094	C	C	.	.	S	Bend	trans	-117.1	-174.2	-179.8	76.1	0	0	0	0	110.6	E100 H292 G334	E100-T294 HydrophobicContact CG-CG2 4.27Å; E100-T294 WeakPolarHBondContact OE1-CB 3.19Å; E100-T294 PolarHBondContact OE1-OG1 2.85Å; H292-T294 PolarHBondContact CD2-O 3.18Å; H292-T294 PolarHBondContact CE1-OG1 2.71Å; H292-T294 PolarHBondContact NE2-O 3.38Å; H292-T294 PolarHBondContact NE2-OG1 3.22Å; T294-G334 WeakPolarHBondContact O-CA 3.49Å; T294-G334 PolarHBondContact O-N 3.11Å
295	Y	89.5	Confident	95.5	Very high	36 Å²	36	19.3 Å²	19.3	14%	0.141	9%	0.091	C	C	.	.			trans	-60.1	142.1	173.1	-179.9	-100.1	0	0	0	110.6	H292 K297 I331 E332	H292-Y295 PolarHBondContact NE2-O 2.78Å; H292-Y295 VanDerWaalsContact NE2-O 3.11Å; Y295-K297 HydrophobicContact CE1-CD 3.57Å; Y295-K297 HydrophobicContact CE1-CG 4.23Å; Y295-K297 WeakPolarHBondContact OH-CD 3.14Å; Y295-K297 PolarHBondContact OH-NZ 2.76Å; Y295-I331 VanDerWaalsContact CA-O 3.28Å; Y295-I331 WeakPolarHBondContact CA-O 3.49Å; Y295-I331 WeakPolarHBondContact CD2-O 3.43Å; Y295-E332 VanDerWaalsContact CD2-CD 3.48Å; Y295-E332 HydrophobicContact CD2-CG 4.41Å; Y295-E332 WeakPolarHBondContact CD2-OE2 3.42Å
296	I	91.8	Very high	95.6	Very high	9 Å²	9	16.5 Å²	16.5	5%	0.046	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	143.9	175	-169.8	164.1	0	0	0	110	A269 D300 I301 G330 I331 L335	A269-I296 HydrophobicContact CB-CD1 4.44Å; I296-D300 HydrophobicContact CD1-CB 4.15Å; I296-D300 HydrophobicContact CG1-CB 3.82Å; I296-D300 VanDerWaalsContact CG1-OD2 3.28Å; I296-D300 WeakPolarHBondContact CG1-OD2 3.39Å; I296-I301 HydrophobicContact CD1-CG2 3.37Å; I296-I301 HydrophobicContact CG1-CG2 3.76Å; I296-I301 HydrophobicContact CG2-CD1 4.33Å; I296-I301 HydrophobicContact CG2-CG2 4.27Å; I296-G330 CarbonylContact O-C 3.6Å; I296-G330 WeakPolarHBondContact O-CA 3.27Å; I296-I331 HydrophobicContact CG2-CD1 3.59Å; I296-I331 HydrophobicContact CG2-CG1 3.33Å; I296-I331 PolarHBondContact N-O 3.36Å; I296-I331 PolarHBondContact O-N 3.47Å; I296-L335 HydrophobicContact CD1-CD2 4.36Å; I296-L335 HydrophobicContact CG2-CD2 4.13Å
297	K	95.3	Very high	95.7	Very high	57 Å²	57	11.4 Å²	11.4	25%	0.248	6%	0.055	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	159.2	-175.8	-61	-70.5	-163.7	-179.5	0	111	Y295 W299 D300 I301 D329	Y295-K297 HydrophobicContact CE1-CD 3.57Å; Y295-K297 HydrophobicContact CE1-CG 4.23Å; Y295-K297 WeakPolarHBondContact OH-CD 3.14Å; Y295-K297 PolarHBondContact OH-NZ 2.76Å; K297-W299 HydrophobicContact CB-CD2 3.75Å; K297-W299 HydrophobicContact CB-CE3 4.44Å; K297-W299 HydrophobicContact CB-CG 4.07Å; K297-W299 HydrophobicContact CB-CH2 4.43Å; K297-W299 HydrophobicContact CB-CZ2 3.74Å; K297-W299 HydrophobicContact CD-CH2 3.76Å; K297-W299 HydrophobicContact CD-CZ2 3.46Å; K297-W299 VanDerWaalsContact CD-CZ2 3.46Å; K297-W299 HydrophobicContact CG-CD2 4.4Å; K297-W299 HydrophobicContact CG-CH2 4.21Å; K297-W299 HydrophobicContact CG-CZ2 3.43Å; K297-W299 VanDerWaalsContact CG-CZ2 3.43Å; K297-D300 VanDerWaalsContact CB-OD2 3.29Å; K297-D300 WeakPolarHBondContact CB-OD2 3.45Å; K297-D300 PolarHBondContact N-OD2 2.71Å; K297-D300 WeakPolarHBondContact O-CB 3.45Å; K297-D300 PolarHBondContact O-N 3.4Å; K297-I301 WeakPolarHBondContact O-CG1 3.29Å; K297-D329 CarbonylContact C-O 3.53Å; K297-D329 WeakPolarHBondContact CA-O 3.43Å; K297-D329 HydrophobicContact CD-CB 4.47Å
298	K	96.4	Very high	95.7	Very high	5 Å²	5	11.4 Å²	11.4	2%	0.022	6%	0.055	C	C	.	.	H	α-helix	trans	-69.8	-37.4	179.4	-78.2	-179.6	-179.1	174.2	0	112.5	W172 D300 I301 C302 S324 Y325 T326 S328 D329	W172-K298 HydrophobicContact CD2-CB 4.02Å; W172-K298 HydrophobicContact CE3-CB 3.81Å; W172-K298 HydrophobicContact CH2-CB 3.94Å; W172-K298 HydrophobicContact CH2-CD 3.74Å; W172-K298 HydrophobicContact CH2-CG 4.46Å; W172-K298 HydrophobicContact CZ2-CB 4.15Å; W172-K298 HydrophobicContact CZ2-CD 3.71Å; W172-K298 HydrophobicContact CZ3-CB 3.77Å; W172-K298 HydrophobicContact CZ3-CD 4.42Å; K298-D300 VanDerWaalsContact C-N 3.29Å; K298-D300 PolarHBondContact O-N 3.17Å; K298-I301 PolarHBondContact O-N 3.16Å; K298-C302 WeakPolarHBondContact O-CB 3.4Å; K298-C302 PolarHBondContact O-N 3.48Å; K298-S324 WeakPolarHBondContact CE-O 3.48Å; K298-S324 PolarHBondContact NZ-O 2.97Å; K298-Y325 HydrophobicContact CB-CD1 4.04Å; K298-Y325 HydrophobicContact CB-CE1 4.37Å; K298-Y325 HydrophobicContact CD-CD1 4.26Å; K298-Y325 HydrophobicContact CG-CD1 4.07Å; K298-Y325 HydrophobicContact CG-CE1 4.4Å; K298-T326 PolarHBondContact NZ-O 3.3Å; K298-S328 WeakPolarHBondContact CD-O 3.3Å; K298-S328 WeakPolarHBondContact CE-O 3.25Å; K298-S328 PolarHBondContact NZ-O 3.03Å; K298-D329 PolarHBondContact N-O 3.11Å
299	W	97.3	Very high	95.7	Very high	26 Å²	26	14.2 Å²	14.2	10%	0.098	7%	0.067	C	C	.	.	H	α-helix	trans	-60.7	-38.3	175.6	47.2	82.1	0	0	0	112	E133 W172 I173 D174 K297 I301 D329	E133-W299 HydrophobicContact CB-CD2 4.14Å; E133-W299 HydrophobicContact CB-CG 4.24Å; E133-W299 HydrophobicContact CB-CZ2 4.2Å; E133-W299 HydrophobicContact CG-CZ2 3.99Å; W172-W299 HydrophobicContact CB-CB 4.45Å; W172-W299 HydrophobicContact CE3-CB 4.46Å; W172-W299 AromaticContact CE3-CE3 3.88Å; W172-W299 HydrophobicContact CE3-CE3 3.88Å; W172-W299 AromaticContact CZ3-CE3 3.81Å; W172-W299 HydrophobicContact CZ3-CE3 3.81Å; W172-W299 HydrophobicContact CZ3-CZ3 4.19Å; I173-W299 WeakPolarHBondContact O-CB 3.18Å; D174-W299 HydrophobicContact CB-CB 4.19Å; K297-W299 HydrophobicContact CB-CD2 3.75Å; K297-W299 HydrophobicContact CB-CE3 4.44Å; K297-W299 HydrophobicContact CB-CG 4.07Å; K297-W299 HydrophobicContact CB-CH2 4.43Å; K297-W299 HydrophobicContact CB-CZ2 3.74Å; K297-W299 HydrophobicContact CD-CH2 3.76Å; K297-W299 HydrophobicContact CD-CZ2 3.46Å; K297-W299 VanDerWaalsContact CD-CZ2 3.46Å; K297-W299 HydrophobicContact CG-CD2 4.4Å; K297-W299 HydrophobicContact CG-CH2 4.21Å; K297-W299 HydrophobicContact CG-CZ2 3.43Å; K297-W299 VanDerWaalsContact CG-CZ2 3.43Å; W299-I301 VanDerWaalsContact C-N 3.29Å; W299-I301 PolarHBondContact O-N 3.26Å; W299-D329 HydrophobicContact CH2-CB 4.07Å; W299-D329 HydrophobicContact CZ3-CB 3.84Å
300	D	97.4	Very high	95.8	Very high	29 Å²	29	15.8 Å²	15.8	16%	0.155	8%	0.08	C	C	.	.	H	α-helix	trans	-58.4	-35.9	176.8	-54.6	-22.7	0	0	0	113.6	M193 A269 I296 K297 K298	M193-D300 WeakPolarHBondContact CE-O 3.31Å; A269-D300 HydrophobicContact CB-CB 3.76Å; A269-D300 WeakPolarHBondContact CB-O 3.3Å; I296-D300 HydrophobicContact CD1-CB 4.15Å; I296-D300 HydrophobicContact CG1-CB 3.82Å; I296-D300 VanDerWaalsContact CG1-OD2 3.28Å; I296-D300 WeakPolarHBondContact CG1-OD2 3.39Å; K297-D300 VanDerWaalsContact CB-OD2 3.29Å; K297-D300 WeakPolarHBondContact CB-OD2 3.45Å; K297-D300 PolarHBondContact N-OD2 2.71Å; K297-D300 WeakPolarHBondContact O-CB 3.45Å; K297-D300 PolarHBondContact O-N 3.4Å; K298-D300 VanDerWaalsContact C-N 3.29Å; K298-D300 PolarHBondContact O-N 3.17Å
301	I	97.8	Very high	95.9	Very high	1 Å²	1	17.6 Å²	17.6	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-116	-18.6	-165.2	65.6	177.2	0	0	0	114.4	I296 K297 K298 W299 A303 G304 N305 M315 I323 Y325 I331 L335	I296-I301 HydrophobicContact CD1-CG2 3.37Å; I296-I301 HydrophobicContact CG1-CG2 3.76Å; I296-I301 HydrophobicContact CG2-CD1 4.33Å; I296-I301 HydrophobicContact CG2-CG2 4.27Å; K297-I301 WeakPolarHBondContact O-CG1 3.29Å; K298-I301 PolarHBondContact O-N 3.16Å; W299-I301 VanDerWaalsContact C-N 3.29Å; W299-I301 PolarHBondContact O-N 3.26Å; I301-A303 PolarHBondContact O-N 2.95Å; I301-G304 PolarHBondContact O-N 3.3Å; I301-N305 WeakPolarHBondContact O-CB 3.29Å; I301-N305 PolarHBondContact O-N 3.42Å; I301-M315 HydrophobicContact CB-SD 3.87Å; I301-I323 HydrophobicContact CD1-CD1 4.04Å; I301-I323 HydrophobicContact CD1-CG2 4.11Å; I301-Y325 HydrophobicContact CG1-CE1 4.02Å; I301-I331 HydrophobicContact CD1-CD1 3.64Å; I301-I331 HydrophobicContact CD1-CG1 4.29Å; I301-L335 HydrophobicContact CB-CD2 4.24Å; I301-L335 HydrophobicContact CD1-CD2 4.13Å; I301-L335 HydrophobicContact CG2-CD2 3.55Å
302	C	98.6	Very high	96	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-60.9	-49.6	-173.1	-170.5	0	0	0	0	111.9	W172 C195 K298 G304 N305 A306 Y325	W172-C302 HydrophobicContact CB-CB 4.32Å; W172-C302 HydrophobicContact CG-CB 4.47Å; C195-C302 HydrophobicContact CB-CB 3.27Å; C195-C302 WeakPolarHBondContact CB-SG 3.25Å; C195-C302 VanDerWaalsContact SG-CA 3.58Å; C195-C302 WeakPolarHBondContact SG-CB 3.37Å; C195-C302 PolarHBondContact SG-O 2.76Å; C195-C302 CovalentContact SG-SG 2.02Å; C195-C302 PolarHBondContact SG-SG 3.48Å; K298-C302 WeakPolarHBondContact O-CB 3.4Å; K298-C302 PolarHBondContact O-N 3.48Å; C302-G304 VanDerWaalsContact C-N 3.33Å; C302-G304 PolarHBondContact O-N 2.7Å; C302-N305 PolarHBondContact O-N 2.69Å; C302-A306 PolarHBondContact O-N 3.23Å; C302-Y325 HydrophobicContact CB-CD1 3.53Å; C302-Y325 HydrophobicContact CB-CE1 3.24Å; C302-Y325 HydrophobicContact CB-CG 4.41Å; C302-Y325 WeakPolarHBondContact SG-CD1 3.3Å
303	A	98.8	Very high	96.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-62.9	-44	-177	0	0	0	0	0	110.9	M193 V194 C195 I207 I301 N305 A306 I307	M193-A303 HydrophobicContact CB-CB 4.07Å; V194-A303 WeakPolarHBondContact O-CB 3.35Å; C195-A303 HydrophobicContact CB-CB 4.13Å; I207-A303 HydrophobicContact CG1-CB 4.09Å; I301-A303 PolarHBondContact O-N 2.95Å; A303-N305 PolarHBondContact O-N 3.08Å; A303-A306 PolarHBondContact O-N 3.47Å; A303-I307 WeakPolarHBondContact O-CG1 3.23Å; A303-I307 PolarHBondContact O-N 3.33Å
304	G	98.8	Very high	96.8	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.01	12%	0.124	C	C	.	.	H	α-helix	trans	-63.7	-39.3	175.9	0	0	0	0	0	113.7	I301 C302 I307 L308	I301-G304 PolarHBondContact O-N 3.3Å; C302-G304 VanDerWaalsContact C-N 3.33Å; C302-G304 PolarHBondContact O-N 2.7Å; G304-I307 PolarHBondContact O-N 3.37Å; G304-L308 WeakPolarHBondContact O-CG 3.06Å; G304-L308 PolarHBondContact O-N 3.08Å
305	N	98.8	Very high	97.4	Very high	2 Å²	2	21 Å²	21	1%	0.011	12%	0.117	C	C	.	.	H	α-helix	trans	-63.3	-46.7	175.2	-167.1	-6.7	0	0	0	111.4	P202 I301 C302 A303 I307 L308 K309 M315 Y325	P202-N305 HydrophobicContact CB-CB 4.44Å; P202-N305 HydrophobicContact CG-CB 4.15Å; I301-N305 WeakPolarHBondContact O-CB 3.29Å; I301-N305 PolarHBondContact O-N 3.42Å; C302-N305 PolarHBondContact O-N 2.69Å; A303-N305 PolarHBondContact O-N 3.08Å; N305-I307 VanDerWaalsContact C-N 3.31Å; N305-I307 PolarHBondContact O-N 2.89Å; N305-L308 PolarHBondContact O-N 3.01Å; N305-K309 VanDerWaalsContact O-CB 3.28Å; N305-K309 WeakPolarHBondContact O-CB 3.41Å; N305-K309 PolarHBondContact O-N 2.87Å; N305-M315 HydrophobicContact CB-CB 4.2Å; N305-M315 HydrophobicContact CB-CE 4.23Å; N305-M315 HydrophobicContact CB-SD 3.75Å; N305-Y325 HydrophobicContact CB-CE2 4.44Å; N305-Y325 WeakPolarHBondContact CB-OH 3.42Å; N305-Y325 PolarHBondContact ND2-OH 3.31Å
306	A	98.8	Very high	97.8	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-56.8	-45.5	176	0	0	0	0	0	111.8	P202 L204 C302 A303 K309 A310	P202-A306 HydrophobicContact CB-CB 3.92Å; L204-A306 WeakPolarHBondContact O-CB 3.44Å; C302-A306 PolarHBondContact O-N 3.23Å; A303-A306 PolarHBondContact O-N 3.47Å; A306-K309 PolarHBondContact O-N 2.84Å; A306-A310 WeakPolarHBondContact O-CB 3.47Å; A306-A310 PolarHBondContact O-N 3.1Å
307	I	98.9	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.7	-47.7	178.3	-67.9	169.8	0	0	0	111.5	I207 A216 A218 V226 L277 A303 G304 N305 K309 A310 L311	I207-I307 HydrophobicContact CB-CD1 4.41Å; I207-I307 HydrophobicContact CD1-CD1 3.82Å; I207-I307 HydrophobicContact CG1-CD1 3.83Å; A216-I307 HydrophobicContact CB-CD1 4.37Å; A218-I307 HydrophobicContact CB-CB 4.32Å; A218-I307 HydrophobicContact CB-CG1 4.01Å; A218-I307 HydrophobicContact CB-CG2 4.4Å; V226-I307 HydrophobicContact CG1-CG2 3.88Å; L277-I307 HydrophobicContact CD1-CG2 3.48Å; L277-I307 VanDerWaalsContact CD1-CG2 3.48Å; A303-I307 WeakPolarHBondContact O-CG1 3.23Å; A303-I307 PolarHBondContact O-N 3.33Å; G304-I307 PolarHBondContact O-N 3.37Å; N305-I307 VanDerWaalsContact C-N 3.31Å; N305-I307 PolarHBondContact O-N 2.89Å; I307-K309 VanDerWaalsContact C-N 3.34Å; I307-K309 PolarHBondContact O-N 3.28Å; I307-A310 PolarHBondContact O-N 3.22Å; I307-L311 HydrophobicContact CG2-CD1 4.18Å; I307-L311 WeakPolarHBondContact O-CG 3.37Å; I307-L311 PolarHBondContact O-N 3.39Å
308	L	98.8	Very high	97.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-60.9	-45.7	177.7	-72.3	172.9	0	0	0	111.1	V273 L276 L277 G304 N305 A310 L311 G312 G313 M315 A337 I339	V273-L308 HydrophobicContact CG1-CD1 4.1Å; V273-L308 HydrophobicContact CG1-CD2 4.42Å; V273-L308 HydrophobicContact CG1-CG 3.97Å; L276-L308 HydrophobicContact CB-CD2 4.47Å; L276-L308 HydrophobicContact CD1-CD1 4.31Å; L276-L308 HydrophobicContact CD1-CD2 4.23Å; L277-L308 HydrophobicContact CD2-CD2 4.08Å; G304-L308 WeakPolarHBondContact O-CG 3.06Å; G304-L308 PolarHBondContact O-N 3.08Å; N305-L308 PolarHBondContact O-N 3.01Å; L308-A310 PolarHBondContact O-N 3.12Å; L308-L311 CarbonylContact O-C 3.54Å; L308-L311 PolarHBondContact O-N 3.46Å; L308-G312 PolarHBondContact O-N 3.49Å; L308-G313 VanDerWaalsContact O-CA 3.31Å; L308-G313 WeakPolarHBondContact O-CA 3.28Å; L308-G313 PolarHBondContact O-N 3.21Å; L308-M315 HydrophobicContact CD1-CB 4.34Å; L308-M315 HydrophobicContact CD1-CE 3.97Å; L308-A337 HydrophobicContact CD1-CB 3.72Å; L308-I339 HydrophobicContact CD2-CB 4.26Å; L308-I339 HydrophobicContact CD2-CD1 4.37Å; L308-I339 HydrophobicContact CD2-CG2 4.38Å
309	K	98.6	Very high	97.6	Very high	69 Å²	69	21.5 Å²	21.5	30%	0.3	13%	0.132	S	C	.	.	H	α-helix	trans	-61.1	-43.5	-179.3	-167.5	165.1	-165.7	139.2	0	112.2	P202 V220 N305 A306 I307 L311 G312 E322	P202-K309 HydrophobicContact CG-CD 4.41Å; V220-K309 HydrophobicContact CG1-CG 4.38Å; V220-K309 HydrophobicContact CG2-CB 4Å; V220-K309 HydrophobicContact CG2-CD 4.38Å; V220-K309 HydrophobicContact CG2-CG 4.05Å; N305-K309 VanDerWaalsContact O-CB 3.28Å; N305-K309 WeakPolarHBondContact O-CB 3.41Å; N305-K309 PolarHBondContact O-N 2.87Å; A306-K309 PolarHBondContact O-N 2.84Å; I307-K309 VanDerWaalsContact C-N 3.34Å; I307-K309 PolarHBondContact O-N 3.28Å; K309-L311 PolarHBondContact O-N 3.03Å; K309-G312 PolarHBondContact O-N 2.9Å; K309-G312 VanDerWaalsContact O-N 3.07Å; K309-E322 IonicContact NZ-OE2 2.66Å; K309-E322 PolarHBondContact NZ-OE2 3.19Å
310	A	98.5	Very high	97.5	Very high	32 Å²	32	21 Å²	21	26%	0.264	13%	0.134	S	C	.	.	H	α-helix	trans	-61.5	-27.1	176.3	0	0	0	0	0	112.9	A218 V220 A306 I307 L308	A218-A310 HydrophobicContact CB-CB 3.59Å; V220-A310 HydrophobicContact CG2-CB 4.11Å; A306-A310 WeakPolarHBondContact O-CB 3.47Å; A306-A310 PolarHBondContact O-N 3.1Å; I307-A310 PolarHBondContact O-N 3.22Å; L308-A310 PolarHBondContact O-N 3.12Å
311	L	98.4	Very high	97.4	Very high	38 Å²	38	25.6 Å²	25.6	20%	0.199	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	7.6	178	-62.4	176.2	0	0	0	113.9	S224 V226 L277 I307 L308 K309 G313 I339	S224-L311 WeakPolarHBondContact OG-CD2 3.42Å; V226-L311 HydrophobicContact CG1-CD1 4.28Å; V226-L311 WeakPolarHBondContact O-CD2 3.16Å; L277-L311 HydrophobicContact CD1-CD1 4.24Å; L277-L311 HydrophobicContact CD2-CD1 3.59Å; I307-L311 HydrophobicContact CG2-CD1 4.18Å; I307-L311 WeakPolarHBondContact O-CG 3.37Å; I307-L311 PolarHBondContact O-N 3.39Å; L308-L311 CarbonylContact O-C 3.54Å; L308-L311 PolarHBondContact O-N 3.46Å; K309-L311 PolarHBondContact O-N 3.03Å; L311-G313 VanDerWaalsContact C-N 3.32Å; L311-I339 HydrophobicContact CB-CD1 3.55Å; L311-I339 HydrophobicContact CD1-CD1 4.3Å
312	G	97.8	Very high	97.3	Very high	53 Å²	53	30.9 Å²	30.9	55%	0.546	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.4	20.1	-176.9	0	0	0	0	0	114.3	L308 K309	L308-G312 PolarHBondContact O-N 3.49Å; K309-G312 PolarHBondContact O-N 2.9Å; K309-G312 VanDerWaalsContact O-N 3.07Å
313	G	98.3	Very high	97.2	Very high	5 Å²	5	31.3 Å²	31.3	5%	0.052	18%	0.182	C	C	.	.			trans	-89.3	-178.1	168	0	0	0	0	0	112.8	L308 L311 S338	L308-G313 VanDerWaalsContact O-CA 3.31Å; L308-G313 WeakPolarHBondContact O-CA 3.28Å; L308-G313 PolarHBondContact O-N 3.21Å; L311-G313 VanDerWaalsContact C-N 3.32Å; G313-S338 WeakPolarHBondContact CA-O 3.36Å
314	H	98.4	Very high	97	Very high	78 Å²	78	34 Å²	34	36%	0.361	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143	-175	-60.5	-83.9	0	0	0	110.7	A337 S338 H343	H314-A337 CarbonylContact O-C 3.51Å; H314-A337 VanDerWaalsContact O-CA 3.22Å; H314-A337 WeakPolarHBondContact O-CA 3.46Å; H314-S338 PolarHBondContact N-O 3.22Å; H314-S338 PolarHBondContact O-N 2.65Å; H314-H343 HydrophobicContact CB-CB 4.04Å; H314-H343 VanDerWaalsContact CB-CG 3.47Å; H314-H343 WeakPolarHBondContact CB-ND1 3.33Å; H314-H343 AromaticContact CG-CG 3.84Å
315	M	98.5	Very high	96.9	Very high	1 Å²	1	34 Å²	34	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	114	164.9	-176.7	-173.1	-67.4	0	0	108.1	V273 I301 N305 L308 I323 L335 L336 A337	V273-M315 HydrophobicContact CG2-CE 3.7Å; I301-M315 HydrophobicContact CB-SD 3.87Å; N305-M315 HydrophobicContact CB-CB 4.2Å; N305-M315 HydrophobicContact CB-CE 4.23Å; N305-M315 HydrophobicContact CB-SD 3.75Å; L308-M315 HydrophobicContact CD1-CB 4.34Å; L308-M315 HydrophobicContact CD1-CE 3.97Å; M315-I323 HydrophobicContact CG-CD1 4.01Å; M315-I323 HydrophobicContact SD-CD1 4.38Å; M315-L335 HydrophobicContact CG-CD1 4.17Å; M315-L335 HydrophobicContact CG-CD2 4.39Å; M315-L335 HydrophobicContact SD-CD2 4.01Å; M315-L336 WeakPolarHBondContact CA-O 3.42Å; M315-A337 HydrophobicContact CB-CB 4.12Å; M315-A337 HydrophobicContact CE-CB 4.21Å; M315-A337 HydrophobicContact CG-CB 4.08Å
316	T	97.6	Very high	96.6	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	167.5	-176.9	60.5	0	0	0	0	110.1	E321 L335 L336 H343	T316-E321 CarbonylContact C-O 3.59Å; T316-E321 VanDerWaalsContact CA-O 3.28Å; T316-E321 WeakPolarHBondContact CA-O 3.47Å; T316-E321 VanDerWaalsContact CB-O 3.23Å; T316-E321 WeakPolarHBondContact CB-O 3.01Å; T316-L335 CarbonylContact O-C 3.55Å; T316-L335 WeakPolarHBondContact O-CA 3.42Å; T316-L335 WeakPolarHBondContact O-CB 3.39Å; T316-L336 PolarHBondContact N-O 2.93Å; T316-L336 PolarHBondContact O-N 3.4Å; T316-H343 WeakPolarHBondContact CG2-NE2 3.28Å; T316-H343 PolarHBondContact OG1-NE2 3.42Å
317	T	95.3	Very high	96.1	Very high	21 Å²	21	40.8 Å²	40.8	13%	0.129	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	166.7	163.5	64.8	0	0	0	0	110.4	S319 G320 E321 I323	T317-S319 PolarHBondContact O-N 3.12Å; T317-S319 VanDerWaalsContact O-N 3.16Å; T317-S319 PolarHBondContact OG1-N 3.06Å; T317-S319 PolarHBondContact OG1-OG 2.75Å; T317-G320 PolarHBondContact O-N 3.17Å; T317-G320 PolarHBondContact OG1-N 3.01Å; T317-E321 HydrophobicContact CG2-CB 4.2Å; T317-E321 PolarHBondContact N-O 2.79Å; T317-E321 WeakPolarHBondContact OG1-CB 3.27Å; T317-E321 PolarHBondContact OG1-N 2.88Å; T317-I323 HydrophobicContact CG2-CG1 4.21Å
318	L	92.3	Very high	95.5	Very high	20 Å²	20	44.6 Å²	44.6	11%	0.105	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-18.2	174.2	-62.3	179.1	0	0	0	113.5	I291 V293 G320 G333 L335 L336 L350 L353	I291-L318 HydrophobicContact CG2-CD2 4.23Å; V293-L318 HydrophobicContact CB-CD1 4.33Å; V293-L318 HydrophobicContact CG1-CD1 3.95Å; L318-G320 VanDerWaalsContact C-N 3.32Å; L318-G333 VanDerWaalsContact CD1-O 3.23Å; L318-G333 WeakPolarHBondContact CD1-O 3.31Å; L318-G333 VanDerWaalsContact CG-O 3.25Å; L318-G333 WeakPolarHBondContact CG-O 3.22Å; L318-L335 VanDerWaalsContact CD2-C 3.44Å; L318-L335 WeakPolarHBondContact CD2-O 3.45Å; L318-L336 HydrophobicContact CD2-CB 4.23Å; L318-L350 HydrophobicContact CB-CD1 4.2Å; L318-L350 HydrophobicContact CD2-CD1 3.8Å; L318-L353 HydrophobicContact CD1-CD1 3.6Å
319	S	91.9	Very high	94.9	Very high	74 Å²	74	48.3 Å²	48.3	52%	0.517	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-4.1	171.1	53.5	0	0	0	0	113.7	T317 E321	T317-S319 PolarHBondContact O-N 3.12Å; T317-S319 VanDerWaalsContact O-N 3.16Å; T317-S319 PolarHBondContact OG1-N 3.06Å; T317-S319 PolarHBondContact OG1-OG 2.75Å; S319-E321 PolarHBondContact OG-OE2 3.07Å
320	G	94.4	Very high	94.4	Very high	15 Å²	15	45.3 Å²	45.3	16%	0.155	29%	0.291	C	S	.	.	S	Bend	trans	84.9	13.9	-179.9	0	0	0	0	0	114.8	T317 L318	T317-G320 PolarHBondContact O-N 3.17Å; T317-G320 PolarHBondContact OG1-N 3.01Å; L318-G320 VanDerWaalsContact C-N 3.32Å
321	E	95.1	Very high	94	Very high	127 Å²	127	44.8 Å²	44.8	59%	0.593	28%	0.284	S	S	*	.	P	Polyproline II helix	trans	-82.7	143.4	178.2	-59.5	174.2	142.7	0	0	111.1	T316 T317 S319 I323	T316-E321 CarbonylContact C-O 3.59Å; T316-E321 VanDerWaalsContact CA-O 3.28Å; T316-E321 WeakPolarHBondContact CA-O 3.47Å; T316-E321 VanDerWaalsContact CB-O 3.23Å; T316-E321 WeakPolarHBondContact CB-O 3.01Å; T317-E321 HydrophobicContact CG2-CB 4.2Å; T317-E321 PolarHBondContact N-O 2.79Å; T317-E321 WeakPolarHBondContact OG1-CB 3.27Å; T317-E321 PolarHBondContact OG1-N 2.88Å; S319-E321 PolarHBondContact OG-OE2 3.07Å; E321-I323 PolarHBondContact O-N 3.26Å
322	E	96	Very high	93.3	Very high	111 Å²	111	48.4 Å²	48.4	52%	0.519	30%	0.299	S	S	.	.	B	Isolated β-bridge	trans	-65.9	134.2	174.1	-70.2	-76.9	133.6	0	0	110.3	K309 S324	K309-E322 IonicContact NZ-OE2 2.66Å; K309-E322 PolarHBondContact NZ-OE2 3.19Å; E322-S324 PolarHBondContact O-N 3.06Å
323	I	96.4	Very high	92.5	Very high	9 Å²	9	48.1 Å²	48.1	5%	0.046	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-80.1	120	179.2	-62.2	166	0	0	0	109.2	I301 M315 T317 E321 Y325 I331 L335	I301-I323 HydrophobicContact CD1-CD1 4.04Å; I301-I323 HydrophobicContact CD1-CG2 4.11Å; M315-I323 HydrophobicContact CG-CD1 4.01Å; M315-I323 HydrophobicContact SD-CD1 4.38Å; T317-I323 HydrophobicContact CG2-CG1 4.21Å; E321-I323 PolarHBondContact O-N 3.26Å; I323-Y325 HydrophobicContact CB-CE2 4.45Å; I323-Y325 HydrophobicContact CG2-CE1 4.25Å; I323-Y325 HydrophobicContact CG2-CE2 4.09Å; I323-Y325 WeakPolarHBondContact O-CE2 3.34Å; I323-I331 HydrophobicContact CD1-CD1 3.84Å; I323-I331 HydrophobicContact CG1-CD1 4.34Å; I323-I331 HydrophobicContact CG2-CG2 4Å; I323-L335 HydrophobicContact CD1-CB 4.25Å
324	S	95.5	Very high	92.1	Very high	57 Å²	57	47.9 Å²	47.9	40%	0.399	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-89.4	134.5	173.7	179.6	0	0	0	0	111.8	K298 E322 T326	K298-S324 WeakPolarHBondContact CE-O 3.48Å; K298-S324 PolarHBondContact NZ-O 2.97Å; E322-S324 PolarHBondContact O-N 3.06Å; S324-T326 VanDerWaalsContact C-N 3.35Å; S324-T326 PolarHBondContact OG-N 3.34Å; S324-T326 PolarHBondContact OG-OG1 3.4Å
325	Y	96.6	Very high	91.9	Very high	1 Å²	1	44.2 Å²	44.2	0%	0.004	28%	0.277	C	S	.	.			trans	-96.4	25	177.6	-62.9	-84.3	0	0	0	113.5	W172 A197 G200 P202 K298 I301 C302 N305 I323	W172-Y325 WeakPolarHBondContact CZ2-O 3.3Å; W172-Y325 PolarHBondContact NE1-O 2.6Å; A197-Y325 HydrophobicContact CB-CG 4.48Å; G200-Y325 WeakPolarHBondContact O-CD2 3.26Å; G200-Y325 PolarHBondContact O-N 2.71Å; P202-Y325 HydrophobicContact CB-CD2 4.04Å; P202-Y325 HydrophobicContact CB-CE2 3.78Å; P202-Y325 HydrophobicContact CG-CD2 4.06Å; P202-Y325 HydrophobicContact CG-CE2 3.6Å; K298-Y325 HydrophobicContact CB-CD1 4.04Å; K298-Y325 HydrophobicContact CB-CE1 4.37Å; K298-Y325 HydrophobicContact CD-CD1 4.26Å; K298-Y325 HydrophobicContact CG-CD1 4.07Å; K298-Y325 HydrophobicContact CG-CE1 4.4Å; I301-Y325 HydrophobicContact CG1-CE1 4.02Å; C302-Y325 HydrophobicContact CB-CD1 3.53Å; C302-Y325 HydrophobicContact CB-CE1 3.24Å; C302-Y325 HydrophobicContact CB-CG 4.41Å; C302-Y325 WeakPolarHBondContact SG-CD1 3.3Å; N305-Y325 HydrophobicContact CB-CE2 4.44Å; N305-Y325 WeakPolarHBondContact CB-OH 3.42Å; N305-Y325 PolarHBondContact ND2-OH 3.31Å; I323-Y325 HydrophobicContact CB-CE2 4.45Å; I323-Y325 HydrophobicContact CG2-CE1 4.25Å; I323-Y325 HydrophobicContact CG2-CE2 4.09Å; I323-Y325 WeakPolarHBondContact O-CE2 3.34Å
326	T	92.9	Very high	91.8	Very high	75 Å²	75	44.1 Å²	44.1	46%	0.46	28%	0.277	S	S	.	.	S	Bend	trans	-107.1	155.7	169.6	56.7	0	0	0	0	111.5	G200 K298 S324	G200-T326 VanDerWaalsContact CA-CG2 3.5Å; K298-T326 PolarHBondContact NZ-O 3.3Å; S324-T326 VanDerWaalsContact C-N 3.35Å; S324-T326 PolarHBondContact OG-N 3.34Å; S324-T326 PolarHBondContact OG-OG1 3.4Å
327	G	88.8	Confident	91.9	Very high	69 Å²	69	44.1 Å²	44.1	71%	0.711	28%	0.277	S	S	*	.	S	Bend	trans	81	-127.3	171.7	0	0	0	0	0	112.9
328	S	85.9	Confident	92	Very high	81 Å²	81	43.1 Å²	43.1	57%	0.566	27%	0.271	S	S	*	.	S	Bend	trans	-55.8	158.9	-174.1	61.6	0	0	0	0	113.9	K298 G330	K298-S328 WeakPolarHBondContact CD-O 3.3Å; K298-S328 WeakPolarHBondContact CE-O 3.25Å; K298-S328 PolarHBondContact NZ-O 3.03Å; S328-G330 VanDerWaalsContact C-N 3.3Å; S328-G330 PolarHBondContact O-N 2.65Å; S328-G330 PolarHBondContact OG-O 3.36Å
329	D	85.7	Confident	92.3	Very high	77 Å²	77	42.1 Å²	42.1	41%	0.412	27%	0.266	S	S	.	.	S	Bend	trans	-81.1	-2.3	-176.8	-59.4	-28.4	0	0	0	115	K297 K298 W299	K297-D329 CarbonylContact C-O 3.53Å; K297-D329 WeakPolarHBondContact CA-O 3.43Å; K297-D329 HydrophobicContact CD-CB 4.47Å; K298-D329 PolarHBondContact N-O 3.11Å; W299-D329 HydrophobicContact CH2-CB 4.07Å; W299-D329 HydrophobicContact CZ3-CB 3.84Å
330	G	88.7	Confident	92.5	Very high	6 Å²	6	46.4 Å²	46.4	6%	0.062	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	176.9	-175.8	0	0	0	0	0	114.2	I296 S328	I296-G330 CarbonylContact O-C 3.6Å; I296-G330 WeakPolarHBondContact O-CA 3.27Å; S328-G330 VanDerWaalsContact C-N 3.3Å; S328-G330 PolarHBondContact O-N 2.65Å; S328-G330 PolarHBondContact OG-O 3.36Å
331	I	89.5	Confident	92.5	Very high	22 Å²	22	46.5 Å²	46.5	11%	0.113	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	137.7	178.7	64.5	177.9	0	0	0	109.9	Y295 I296 I301 I323 L335	Y295-I331 VanDerWaalsContact CA-O 3.28Å; Y295-I331 WeakPolarHBondContact CA-O 3.49Å; Y295-I331 WeakPolarHBondContact CD2-O 3.43Å; I296-I331 HydrophobicContact CG2-CD1 3.59Å; I296-I331 HydrophobicContact CG2-CG1 3.33Å; I296-I331 PolarHBondContact N-O 3.36Å; I296-I331 PolarHBondContact O-N 3.47Å; I301-I331 HydrophobicContact CD1-CD1 3.64Å; I301-I331 HydrophobicContact CD1-CG1 4.29Å; I323-I331 HydrophobicContact CD1-CD1 3.84Å; I323-I331 HydrophobicContact CG1-CD1 4.34Å; I323-I331 HydrophobicContact CG2-CG2 4Å; I331-L335 HydrophobicContact CD1-CB 4.22Å; I331-L335 HydrophobicContact CD1-CD2 4.31Å
332	E	84.1	Confident	92.5	Very high	113 Å²	113	44.9 Å²	44.9	53%	0.528	26%	0.262	S	S	.	.	S	Bend	trans	-87.2	-37.1	-174.9	-59.5	-66.2	165.8	0	0	113.2	R99 Y295 G334	R99-E332 IonicContact CZ-OE1 3.48Å; R99-E332 IonicContact CZ-OE2 3.81Å; R99-E332 IonicContact NH1-OE1 3.77Å; R99-E332 PolarHBondContact NH1-OE1 2.89Å; R99-E332 IonicContact NH1-OE2 3.71Å; R99-E332 PolarHBondContact NH1-OE2 2.82Å; R99-E332 IonicContact NH2-OE1 2.76Å; R99-E332 PolarHBondContact NH2-OE1 2.81Å; Y295-E332 VanDerWaalsContact CD2-CD 3.48Å; Y295-E332 HydrophobicContact CD2-CG 4.41Å; Y295-E332 WeakPolarHBondContact CD2-OE2 3.42Å; E332-G334 VanDerWaalsContact C-N 3.32Å; E332-G334 PolarHBondContact O-N 3.31Å
333	G	80.9	Confident	92.6	Very high	48 Å²	48	39.9 Å²	39.9	50%	0.495	24%	0.239	S	C	.	.	S	Bend	trans	-88.2	15.6	-166.8	0	0	0	0	0	115.6	L318	L318-G333 VanDerWaalsContact CD1-O 3.23Å; L318-G333 WeakPolarHBondContact CD1-O 3.31Å; L318-G333 VanDerWaalsContact CG-O 3.25Å; L318-G333 WeakPolarHBondContact CG-O 3.22Å
334	G	89.7	Confident	92.5	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.258	C	S	.	.			trans	67.3	-168.5	-175	0	0	0	0	0	114.1	H292 T294 E332	H292-G334 CarbonylContact O-C 3.46Å; H292-G334 WeakPolarHBondContact O-CA 3.39Å; T294-G334 WeakPolarHBondContact O-CA 3.49Å; T294-G334 PolarHBondContact O-N 3.11Å; E332-G334 VanDerWaalsContact C-N 3.32Å; E332-G334 PolarHBondContact O-N 3.31Å
335	L	95	Very high	92.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	157.1	-178.6	67.4	85.1	0	0	0	112.9	Y290 H292 I296 I301 M315 T316 L318 I323 I331 A337	Y290-L335 HydrophobicContact CD1-CD1 3.92Å; Y290-L335 HydrophobicContact CE1-CD1 3.78Å; Y290-L335 HydrophobicContact CE2-CD1 4.46Å; Y290-L335 HydrophobicContact CG-CD1 4.35Å; H292-L335 HydrophobicContact CB-CD1 4.47Å; H292-L335 HydrophobicContact CB-CG 4.02Å; H292-L335 PolarHBondContact N-O 2.59Å; H292-L335 PolarHBondContact O-N 3.4Å; I296-L335 HydrophobicContact CD1-CD2 4.36Å; I296-L335 HydrophobicContact CG2-CD2 4.13Å; I301-L335 HydrophobicContact CB-CD2 4.24Å; I301-L335 HydrophobicContact CD1-CD2 4.13Å; I301-L335 HydrophobicContact CG2-CD2 3.55Å; M315-L335 HydrophobicContact CG-CD1 4.17Å; M315-L335 HydrophobicContact CG-CD2 4.39Å; M315-L335 HydrophobicContact SD-CD2 4.01Å; T316-L335 CarbonylContact O-C 3.55Å; T316-L335 WeakPolarHBondContact O-CA 3.42Å; T316-L335 WeakPolarHBondContact O-CB 3.39Å; L318-L335 VanDerWaalsContact CD2-C 3.44Å; L318-L335 WeakPolarHBondContact CD2-O 3.45Å; I323-L335 HydrophobicContact CD1-CB 4.25Å; I331-L335 HydrophobicContact CD1-CB 4.22Å; I331-L335 HydrophobicContact CD1-CD2 4.31Å; L335-A337 HydrophobicContact CD1-CB 4.34Å
336	L	96.3	Very high	92.3	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.1	165	172.4	67.5	0	0	0	108.4	L289 I291 M315 T316 L318 H343 L346 V347 L350	L289-L336 HydrophobicContact CD2-CD1 4.49Å; I291-L336 HydrophobicContact CD1-CD1 4.16Å; I291-L336 HydrophobicContact CG1-CD1 3.68Å; M315-L336 WeakPolarHBondContact CA-O 3.42Å; T316-L336 PolarHBondContact N-O 2.93Å; T316-L336 PolarHBondContact O-N 3.4Å; L318-L336 HydrophobicContact CD2-CB 4.23Å; L336-H343 PolarHBondContact O-CE1 3.01Å; L336-L346 HydrophobicContact CD2-CB 3.8Å; L336-V347 HydrophobicContact CD2-CG2 3.86Å; L336-L350 HydrophobicContact CB-CD1 4.4Å; L336-L350 HydrophobicContact CD2-CD1 4.17Å
337	A	98.2	Very high	92.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137	170.5	0	0	0	0	0	111.8	L276 Y290 L308 H314 M315 L335	L276-A337 HydrophobicContact CD1-CB 4.06Å; Y290-A337 HydrophobicContact CD1-CB 4.28Å; Y290-A337 PolarHBondContact N-O 3.18Å; Y290-A337 VanDerWaalsContact N-O 3.08Å; Y290-A337 PolarHBondContact O-N 2.8Å; L308-A337 HydrophobicContact CD1-CB 3.72Å; H314-A337 CarbonylContact O-C 3.51Å; H314-A337 VanDerWaalsContact O-CA 3.22Å; H314-A337 WeakPolarHBondContact O-CA 3.46Å; M315-A337 HydrophobicContact CB-CB 4.12Å; M315-A337 HydrophobicContact CE-CB 4.21Å; M315-A337 HydrophobicContact CG-CB 4.08Å; L335-A337 HydrophobicContact CD1-CB 4.34Å
338	S	98.1	Very high	92.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	163.6	176.7	75	0	0	0	0	111.5	L289 G313 H314 H343	L289-S338 VanDerWaalsContact CD2-CB 3.5Å; G313-S338 WeakPolarHBondContact CA-O 3.36Å; H314-S338 PolarHBondContact N-O 3.22Å; H314-S338 PolarHBondContact O-N 2.65Å; S338-H343 PolarHBondContact OG-ND1 3.44Å
339	I	98.1	Very high	92.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-149.4	141.6	179.2	-179.6	164.3	0	0	0	109.4	A228 Y232 L276 L277 L308 L311 M341	A228-I339 HydrophobicContact CB-CD1 3.71Å; A228-I339 HydrophobicContact CB-CG1 4.19Å; Y232-I339 HydrophobicContact CD1-CG2 4.26Å; Y232-I339 HydrophobicContact CE1-CG2 3.4Å; Y232-I339 HydrophobicContact CE2-CG2 4.27Å; Y232-I339 VanDerWaalsContact CZ-CG2 3.41Å; Y232-I339 VanDerWaalsContact OH-CG2 3.29Å; Y232-I339 WeakPolarHBondContact OH-CG2 3.02Å; L276-I339 HydrophobicContact CB-CG2 4.29Å; L277-I339 HydrophobicContact CD2-CD1 4.13Å; L308-I339 HydrophobicContact CD2-CB 4.26Å; L308-I339 HydrophobicContact CD2-CD1 4.37Å; L308-I339 HydrophobicContact CD2-CG2 4.38Å; L311-I339 HydrophobicContact CB-CD1 3.55Å; L311-I339 HydrophobicContact CD1-CD1 4.3Å; I339-M341 WeakPolarHBondContact O-CG 3.29Å; I339-M341 PolarHBondContact O-N 3.06Å; I339-M341 VanDerWaalsContact O-N 3.15Å
340	R	96.5	Very high	92.7	Very high	163 Å²	163	44.5 Å²	44.5	62%	0.615	22%	0.216	S	C	*	.	S	Bend	trans	52.5	31.6	-175	-63.9	-173.7	175.1	-176	-3.4	114.2	A228 R229 Y232	A228-R340 HydrophobicContact CB-CG 4.41Å; R229-R340 PolarHBondContact O-NH1 2.99Å; Y232-R340 HydrophobicContact CD2-CB 3.87Å; Y232-R340 HydrophobicContact CE2-CB 4.01Å; Y232-R340 HydrophobicContact CE2-CG 4.37Å
341	M	95.1	Very high	92.2	Very high	17 Å²	17	46.2 Å²	46.2	8%	0.084	23%	0.226	C	C	.	.	S	Bend	trans	-133.9	159.1	176.8	-63.5	170.1	84	0	0	109	Y232 E234 D288 L289 I339 H343 L346	Y232-M341 HydrophobicContact CD1-SD 4.35Å; Y232-M341 HydrophobicContact CG-CG 4.39Å; Y232-M341 HydrophobicContact CG-SD 4.42Å; E234-M341 HydrophobicContact CB-CE 4.01Å; E234-M341 HydrophobicContact CG-CB 4.31Å; E234-M341 HydrophobicContact CG-CE 3.58Å; E234-M341 HydrophobicContact CG-CG 4.03Å; E234-M341 WeakPolarHBondContact OE1-CA 3.33Å; E234-M341 WeakPolarHBondContact OE1-CB 3.06Å; D288-M341 HydrophobicContact CB-SD 4.46Å; L289-M341 HydrophobicContact CD2-CE 3.82Å; L289-M341 HydrophobicContact CD2-SD 3.69Å; L289-M341 HydrophobicContact CG-CE 4.2Å; L289-M341 HydrophobicContact CG-SD 4.42Å; I339-M341 WeakPolarHBondContact O-CG 3.29Å; I339-M341 PolarHBondContact O-N 3.06Å; I339-M341 VanDerWaalsContact O-N 3.15Å; M341-H343 PolarHBondContact O-N 3.23Å; M341-L346 HydrophobicContact CB-CD1 4.02Å; M341-L346 HydrophobicContact CE-CD1 4.26Å; M341-L346 HydrophobicContact CE-CD2 4.38Å; M341-L346 HydrophobicContact SD-CD1 4.45Å
342	N	95.4	Very high	91.3	Very high	93 Å²	93	52 Å²	52	50%	0.497	26%	0.257	S	S	.	.			trans	-72.9	88.8	175	-173.1	-24.4	0	0	0	111.1	E234 Q344 A345 L346	E234-N342 PolarHBondContact OE1-N 2.62Å; N342-Q344 VanDerWaalsContact C-N 3.34Å; N342-Q344 PolarHBondContact O-N 2.91Å; N342-Q344 PolarHBondContact OD1-N 3.46Å; N342-A345 HydrophobicContact CB-CB 3.94Å; N342-A345 VanDerWaalsContact CG-CB 3.48Å; N342-A345 PolarHBondContact O-N 3.06Å; N342-A345 VanDerWaalsContact O-N 3.13Å; N342-A345 WeakPolarHBondContact OD1-CB 3.4Å; N342-A345 PolarHBondContact OD1-N 2.92Å; N342-L346 WeakPolarHBondContact O-CG 3.46Å; N342-L346 PolarHBondContact O-N 3.3Å; N342-L346 VanDerWaalsContact O-N 3.09Å
343	H	96.3	Very high	90.4	Very high	7 Å²	7	48.9 Å²	48.9	3%	0.032	24%	0.244	C	C	.	.	H	α-helix	trans	-57.4	-43.1	-174.8	-167.7	79.7	0	0	0	113.3	H314 T316 L336 S338 M341 A345 L346 V347	H314-H343 HydrophobicContact CB-CB 4.04Å; H314-H343 VanDerWaalsContact CB-CG 3.47Å; H314-H343 WeakPolarHBondContact CB-ND1 3.33Å; H314-H343 AromaticContact CG-CG 3.84Å; T316-H343 WeakPolarHBondContact CG2-NE2 3.28Å; T316-H343 PolarHBondContact OG1-NE2 3.42Å; L336-H343 PolarHBondContact O-CE1 3.01Å; S338-H343 PolarHBondContact OG-ND1 3.44Å; M341-H343 PolarHBondContact O-N 3.23Å; H343-A345 VanDerWaalsContact C-N 3.33Å; H343-A345 PolarHBondContact O-N 3.25Å; H343-L346 WeakPolarHBondContact O-CB 3.5Å; H343-L346 PolarHBondContact O-N 3.24Å; H343-V347 WeakPolarHBondContact O-CG2 3.34Å; H343-V347 PolarHBondContact O-N 3.02Å
344	Q	95.3	Very high	89	Confident	94 Å²	94	55.4 Å²	55.4	44%	0.439	26%	0.261	S	S	.	.	H	α-helix	trans	-64.7	-36.3	178.6	-71.6	-65.3	-25.9	0	0	112.5	N342 L346 R348	N342-Q344 VanDerWaalsContact C-N 3.34Å; N342-Q344 PolarHBondContact O-N 2.91Å; N342-Q344 PolarHBondContact OD1-N 3.46Å; Q344-L346 VanDerWaalsContact C-N 3.31Å; Q344-R348 WeakPolarHBondContact O-CG 3.46Å; Q344-R348 PolarHBondContact O-N 3.42Å; Q344-R348 VanDerWaalsContact O-N 3.15Å
345	A	93.9	Very high	86.6	Confident	33 Å²	33	64 Å²	64	27%	0.273	30%	0.299	S	S	.	.	H	α-helix	trans	-67.9	-31.8	173.3	0	0	0	0	0	112.3	N342 H343 K349	N342-A345 HydrophobicContact CB-CB 3.94Å; N342-A345 VanDerWaalsContact CG-CB 3.48Å; N342-A345 PolarHBondContact O-N 3.06Å; N342-A345 VanDerWaalsContact O-N 3.13Å; N342-A345 WeakPolarHBondContact OD1-CB 3.4Å; N342-A345 PolarHBondContact OD1-N 2.92Å; H343-A345 VanDerWaalsContact C-N 3.33Å; H343-A345 PolarHBondContact O-N 3.25Å; A345-K349 WeakPolarHBondContact O-CG 3.45Å; A345-K349 PolarHBondContact O-N 3.41Å
346	L	93.3	Very high	84	Confident	4 Å²	4	67.9 Å²	67.9	2%	0.021	32%	0.323	C	S	.	.	H	α-helix	trans	-69.7	-45.6	175.2	-63.6	167.9	0	0	0	111.4	F257 L289 L336 M341 N342 H343 Q344 R348 K349 L350	F257-L346 HydrophobicContact CE1-CD2 3.62Å; F257-L346 HydrophobicContact CZ-CD2 4.07Å; L289-L346 HydrophobicContact CD1-CD2 4.21Å; L289-L346 HydrophobicContact CD2-CD1 3.54Å; L289-L346 HydrophobicContact CD2-CD2 4.45Å; L336-L346 HydrophobicContact CD2-CB 3.8Å; M341-L346 HydrophobicContact CB-CD1 4.02Å; M341-L346 HydrophobicContact CE-CD1 4.26Å; M341-L346 HydrophobicContact CE-CD2 4.38Å; M341-L346 HydrophobicContact SD-CD1 4.45Å; N342-L346 WeakPolarHBondContact O-CG 3.46Å; N342-L346 PolarHBondContact O-N 3.3Å; N342-L346 VanDerWaalsContact O-N 3.09Å; H343-L346 WeakPolarHBondContact O-CB 3.5Å; H343-L346 PolarHBondContact O-N 3.24Å; Q344-L346 VanDerWaalsContact C-N 3.31Å; L346-R348 VanDerWaalsContact C-N 3.33Å; L346-R348 PolarHBondContact O-N 2.75Å; L346-K349 PolarHBondContact O-N 3.27Å; L346-K349 VanDerWaalsContact O-N 3.1Å; L346-L350 PolarHBondContact O-N 2.74Å
347	V	93	Very high	81.2	Confident	15 Å²	15	71.1 Å²	71.1	9%	0.091	36%	0.356	C	S	.	.	H	α-helix	trans	-55.5	-47.9	175.5	172.4	0	0	0	0	110.7	L336 H343 K349 L350	L336-V347 HydrophobicContact CD2-CG2 3.86Å; H343-V347 WeakPolarHBondContact O-CG2 3.34Å; H343-V347 PolarHBondContact O-N 3.02Å; V347-K349 PolarHBondContact O-N 3.28Å; V347-K349 VanDerWaalsContact O-N 3.12Å; V347-L350 WeakPolarHBondContact O-CB 3.44Å; V347-L350 PolarHBondContact O-N 2.71Å
348	R	91.6	Very high	78	Confident	200 Å²	200	80 Å²	80	76%	0.755	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-18.1	179.5	-70.1	174.9	-164.8	163.7	4.1	115	Q344 L346	Q344-R348 WeakPolarHBondContact O-CG 3.46Å; Q344-R348 PolarHBondContact O-N 3.42Å; Q344-R348 VanDerWaalsContact O-N 3.15Å; L346-R348 VanDerWaalsContact C-N 3.33Å; L346-R348 PolarHBondContact O-N 2.75Å
349	K	89.3	Confident	74.7	Confident	104 Å²	104	93.4 Å²	93.4	45%	0.452	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-22.7	175.8	-70.6	174.3	178.2	-176.9	0	111.9	T256 F257 A345 L346 V347	T256-K349 HydrophobicContact CG2-CB 3.55Å; T256-K349 WeakPolarHBondContact CG2-O 3.32Å; F257-K349 HydrophobicContact CE1-CD 4.34Å; A345-K349 WeakPolarHBondContact O-CG 3.45Å; A345-K349 PolarHBondContact O-N 3.41Å; L346-K349 PolarHBondContact O-N 3.27Å; L346-K349 VanDerWaalsContact O-N 3.1Å; V347-K349 PolarHBondContact O-N 3.28Å; V347-K349 VanDerWaalsContact O-N 3.12Å
350	L	87.6	Confident	73.5	Confident	16 Å²	16	98.1 Å²	98.1	8%	0.084	48%	0.478	C	S	.	.	S	Bend	trans	-62.6	139.1	-178.3	-67.1	171.4	0	0	0	109.9	V252 T256 I291 L318 L336 L346 V347	V252-L350 HydrophobicContact CG1-CD2 4.18Å; T256-L350 HydrophobicContact CG2-CD2 4.27Å; I291-L350 HydrophobicContact CD1-CD2 4.38Å; L318-L350 HydrophobicContact CB-CD1 4.2Å; L318-L350 HydrophobicContact CD2-CD1 3.8Å; L336-L350 HydrophobicContact CB-CD1 4.4Å; L336-L350 HydrophobicContact CD2-CD1 4.17Å; L346-L350 PolarHBondContact O-N 2.74Å; V347-L350 WeakPolarHBondContact O-CB 3.44Å; V347-L350 PolarHBondContact O-N 2.71Å
351	P	79.5	Confident	72.3	Confident	42 Å²	42	94.6 Å²	94.6	27%	0.273	47%	0.471	S	S	.	.			trans	-65.5	150.3	174.4	27.8	-34	0	0	0	110.6	V252 T256 L353	V252-P351 HydrophobicContact CB-CG 4.47Å; V252-P351 HydrophobicContact CG1-CG 3.93Å; V252-P351 HydrophobicContact CG2-CG 4.26Å; T256-P351 VanDerWaalsContact OG1-CD 3.3Å; T256-P351 WeakPolarHBondContact OG1-CD 3.2Å; P351-L353 HydrophobicContact CG-CD2 4.4Å; P351-L353 HydrophobicContact CG-CG 4.29Å; P351-L353 PolarHBondContact O-N 3.31Å
352	D	70.8	Confident	71.1	Confident	143 Å²	143	98.9 Å²	98.9	77%	0.765	49%	0.493	S	S	*	.			trans	-63.4	94.8	170.8	-73	-24.9	0	0	0	109.8	E354	D352-E354 VanDerWaalsContact C-N 3.28Å; D352-E354 PolarHBondContact O-N 3.47Å
353	L	64	Low	69.6	Low	47 Å²	47	99.3 Å²	99.3	25%	0.246	49%	0.492	C	S	.	.	G	3₁₀ helix	trans	-81.1	-7	-178.6	-73.2	165.7	0	0	0	113.4	V252 V293 L318 P351 K355 T356	V252-L353 HydrophobicContact CG1-CD1 4.31Å; V252-L353 HydrophobicContact CG2-CD1 4.07Å; V252-L353 HydrophobicContact CG2-CD2 3.69Å; V252-L353 HydrophobicContact CG2-CG 4.41Å; V293-L353 HydrophobicContact CG1-CD1 4.32Å; L318-L353 HydrophobicContact CD1-CD1 3.6Å; P351-L353 HydrophobicContact CG-CD2 4.4Å; P351-L353 HydrophobicContact CG-CG 4.29Å; P351-L353 PolarHBondContact O-N 3.31Å; L353-K355 PolarHBondContact O-N 3.37Å; L353-T356 PolarHBondContact O-N 3.2Å; L353-T356 PolarHBondContact O-OG1 3.4Å
354	E	52.2	Low	68	Low	185 Å²	185	105.1 Å²	105.1	86%	0.864	52%	0.521	S	S	*	.	G	3₁₀ helix	trans	-60.7	-8.9	179.3	-70.3	-166.7	155.9	0	0	114.3	D352	D352-E354 VanDerWaalsContact C-N 3.28Å; D352-E354 PolarHBondContact O-N 3.47Å
355	K	39.1	Very low	66.1	Low	180 Å²	180	105.8 Å²	105.8	78%	0.783	53%	0.527	S	S	*	.	G	3₁₀ helix	trans	-107.4	0.5	-174.2	-68.4	-179.2	-177.7	168.5	0	116	L353	L353-K355 PolarHBondContact O-N 3.37Å
356	T	40.6	Very low	64.2	Low	83 Å²	83	111 Å²	111	51%	0.509	55%	0.545	S	S	.	.	S	Bend	trans	-113.3	-2.2	-173.6	45	0	0	0	0	115.5	M248 L353	M248-T356 WeakPolarHBondContact CE-OG1 3.42Å; L353-T356 PolarHBondContact O-N 3.2Å; L353-T356 PolarHBondContact O-OG1 3.4Å
357	G	36.9	Very low	61.9	Low	68 Å²	68	119.2 Å²	119.2	70%	0.701	59%	0.585	S	S	*	*	S	Bend	trans	-87.6	-0.7	-177.2	0	0	0	0	0	116.6
358	H	31	Very low	59.3	Low	187 Å²	187	127.9 Å²	127.9	87%	0.866	63%	0.626	S	S	*	*			trans	-129.2	75.6	178.2	-68.2	-47.3	0	0	0	110.9
359	K	29.5	Very low	56.4	Low	280 Å²	280	121.4 Å²	121.4	100%	1.217	62%	0.615	S	S	*	*			trans	-145	0	156.5	-96.3	-168.6	179.7	179.1	0	110.9

Retrieved 359 of 359 residues in 171.8 ms (Link to these results)

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