A0A096NYS9_PAPAN Loading...

S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase TYW1

Probable component of the wybutosine biosynthesis pathway. Wybutosine is a hyper modified guanosine with a tricyclic base found at the 3'-position adjacent to the anticodon of eukaryotic phenylalanine tRNA. Catalyzes the condensation of N-methylguanine with 2 carbon atoms from pyruvate to form the tricyclic 4-demethylwyosine, an intermediate in wybutosine biosynthesis.

AlphaFold DB , UniProt , Accession A0A096NYS9, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 732 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	36.5	Very low	42.9	Very low	233 Å²	233	149.9 Å²	149.9	100%	1.148	82%	0.815	S	S	*	*				0	115.9	0	-73.2	-168.8	166.6	0	0	108
2	D	33.4	Very low	44.5	Very low	152 Å²	152	141.8 Å²	141.8	81%	0.813	78%	0.778	S	S	*	*			cis	-165.9	162.5	-21.4	-116.3	6.3	0	0	0	105.7
3	P	50.7	Low	45.7	Very low	105 Å²	105	138.5 Å²	138.5	68%	0.682	77%	0.767	S	S	*	*			trans	-109.2	-165.9	-153.4	42.2	-34.6	0	0	0	113.3
4	S	39.3	Very low	46.8	Very low	102 Å²	102	137.6 Å²	137.6	71%	0.713	76%	0.759	S	S	*	*			trans	79.7	105.9	160.1	65.3	0	0	0	0	116.4
5	V	41.6	Very low	47.9	Very low	127 Å²	127	134 Å²	134	77%	0.77	74%	0.737	S	S	*	*				71	99.1	63.4	-179.3	0	0	0	0	110.3
6	D	37.4	Very low	48.7	Very low	157 Å²	157	129.9 Å²	129.9	84%	0.84	72%	0.721	S	S	*	*			trans	-106.5	131.5	152.9	-102.5	-30.8	0	0	0	109.4
7	T	40.6	Very low	49.5	Very low	121 Å²	121	128 Å²	128	74%	0.742	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-67.3	131.7	-172.4	42.9	0	0	0	0	112.8
8	W	42.4	Very low	50.3	Low	249 Å²	249	130.3 Å²	130.3	94%	0.943	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-94.7	131.8	165.5	-80	48.5	0	0	0	110.3
9	D	41.3	Very low	51.4	Low	151 Å²	151	129.5 Å²	129.5	81%	0.807	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-55.9	135.8	-173.9	-161.6	-0.5	0	0	0	113.6	S11	D9-S11 PolarHBondContact O-N 2.63Å
10	L	51.1	Low	52.3	Low	148 Å²	148	126.4 Å²	126.4	78%	0.775	68%	0.682	S	S	*	*			trans	-106.7	68.2	-162.2	-145	135.8	0	0	0	110.3
11	S	57.1	Low	53.4	Low	104 Å²	104	125.2 Å²	125.2	73%	0.727	67%	0.668	S	S	*	*			trans	-148.2	52.7	176.3	59	0	0	0	0	113.3	D9	D9-S11 PolarHBondContact O-N 2.63Å
12	S	62.9	Low	55.4	Low	53 Å²	53	120.8 Å²	120.8	37%	0.371	64%	0.642	S	S	.	*			trans	-114.7	127.6	170.5	-176.9	0	0	0	0	111.9	L14 I15	S12-L14 PolarHBondContact O-N 3.03Å; S12-I15 PolarHBondContact O-N 3.5Å; S12-I15 VanDerWaalsContact O-N 3.09Å
13	P	60.4	Low	57.6	Low	99 Å²	99	121.2 Å²	121.2	64%	0.643	63%	0.634	S	S	*	*	H	α-helix	trans	-58.4	-17.8	177.6	21.6	-31	0	0	0	113.3	I15 S16 L17	P13-I15 PolarHBondContact O-N 2.98Å; P13-S16 PolarHBondContact O-N 3.25Å; P13-L17 PolarHBondContact O-N 3.43Å; P13-L17 VanDerWaalsContact O-N 3.13Å
14	L	60.2	Low	58.9	Low	125 Å²	125	119.3 Å²	119.3	65%	0.654	62%	0.617	S	S	*	*	H	α-helix	trans	-67.8	-30.6	177.3	-64.9	171.3	0	0	0	113.3	S12 W18	S12-L14 PolarHBondContact O-N 3.03Å; L14-W18 PolarHBondContact O-N 3.47Å
15	I	63.2	Low	61	Low	84 Å²	84	122.2 Å²	122.2	43%	0.431	61%	0.614	S	S	.	*	H	α-helix	trans	-76.2	-36.7	177.6	-65.3	169.8	0	0	0	110.5	S12 P13 W18 I19	S12-I15 PolarHBondContact O-N 3.5Å; S12-I15 VanDerWaalsContact O-N 3.09Å; P13-I15 PolarHBondContact O-N 2.98Å; I15-W18 PolarHBondContact O-N 3.25Å; I15-W18 VanDerWaalsContact O-N 3.17Å; I15-I19 HydrophobicContact CG2-CD1 3.8Å; I15-I19 HydrophobicContact CG2-CG1 4.4Å; I15-I19 WeakPolarHBondContact O-CG1 3.44Å; I15-I19 PolarHBondContact O-N 2.88Å
16	S	60.8	Low	63	Low	68 Å²	68	120.5 Å²	120.5	48%	0.476	60%	0.6	S	S	.	*	H	α-helix	trans	-62.9	-40.4	173	-178.6	0	0	0	0	112.1	P13 W18 N20	P13-S16 PolarHBondContact O-N 3.25Å; S16-W18 VanDerWaalsContact C-N 3.34Å; S16-N20 WeakPolarHBondContact O-CB 3.11Å; S16-N20 PolarHBondContact O-N 2.64Å; S16-N20 PolarHBondContact O-ND2 2.7Å
17	L	61.9	Low	65.2	Low	98 Å²	98	115 Å²	115	51%	0.513	58%	0.579	S	S	.	*	H	α-helix	trans	-62.9	-37.9	171.6	-89.9	153.8	0	0	0	112.4	P13 R21 I24	P13-L17 PolarHBondContact O-N 3.43Å; P13-L17 VanDerWaalsContact O-N 3.13Å; L17-R21 PolarHBondContact O-N 2.99Å; L17-R21 VanDerWaalsContact O-N 3.13Å; L17-I24 HydrophobicContact CD2-CD1 3.63Å
18	W	65.3	Low	67.3	Low	169 Å²	169	115.4 Å²	115.4	64%	0.64	57%	0.571	S	S	*	*	H	α-helix	trans	-74.2	-36.4	179.9	-157.1	80.5	0	0	0	113	L14 I15 S16 R21	L14-W18 PolarHBondContact O-N 3.47Å; I15-W18 PolarHBondContact O-N 3.25Å; I15-W18 VanDerWaalsContact O-N 3.17Å; S16-W18 VanDerWaalsContact C-N 3.34Å; W18-R21 WeakPolarHBondContact O-CD 3.38Å; W18-R21 VanDerWaalsContact O-CG 3.24Å; W18-R21 WeakPolarHBondContact O-CG 3.12Å; W18-R21 PolarHBondContact O-NH1 3.5Å
19	I	70.8	Confident	69.3	Low	115 Å²	115	105.9 Å²	105.9	59%	0.59	55%	0.545	S	S	*	.	H	α-helix	trans	-69.1	-40.2	175.5	-70.1	166.9	0	0	0	110.6	I15 R21	I15-I19 HydrophobicContact CG2-CD1 3.8Å; I15-I19 HydrophobicContact CG2-CG1 4.4Å; I15-I19 WeakPolarHBondContact O-CG1 3.44Å; I15-I19 PolarHBondContact O-N 2.88Å; I19-R21 VanDerWaalsContact C-N 3.34Å; I19-R21 PolarHBondContact O-N 3.3Å
20	N	68.6	Low	71.4	Confident	67 Å²	67	102.3 Å²	102.3	36%	0.358	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	9.9	-178.7	-67.4	-57.5	0	0	0	114.4	S16 F22 Y23 I24	S16-N20 WeakPolarHBondContact O-CB 3.11Å; S16-N20 PolarHBondContact O-N 2.64Å; S16-N20 PolarHBondContact O-ND2 2.7Å; N20-F22 PolarHBondContact O-N 2.82Å; N20-F22 VanDerWaalsContact O-N 3.1Å; N20-Y23 PolarHBondContact O-N 3.16Å; N20-I24 PolarHBondContact O-N 2.84Å; N20-I24 VanDerWaalsContact O-N 3.13Å
21	R	76.5	Confident	72.8	Confident	102 Å²	102	98 Å²	98	39%	0.385	51%	0.511	S	S	.	.	H	α-helix	trans	-54.9	-33.9	-177.1	71.8	-176.7	178.1	-101.8	9.8	113.4	L17 W18 I19 I24 Y25	L17-R21 PolarHBondContact O-N 2.99Å; L17-R21 VanDerWaalsContact O-N 3.13Å; W18-R21 WeakPolarHBondContact O-CD 3.38Å; W18-R21 VanDerWaalsContact O-CG 3.24Å; W18-R21 WeakPolarHBondContact O-CG 3.12Å; W18-R21 PolarHBondContact O-NH1 3.5Å; I19-R21 VanDerWaalsContact C-N 3.34Å; I19-R21 PolarHBondContact O-N 3.3Å; R21-I24 PolarHBondContact O-N 2.84Å; R21-Y25 HydrophobicContact CB-CD2 4.41Å; R21-Y25 HydrophobicContact CB-CE2 4.03Å; R21-Y25 HydrophobicContact CG-CE2 4.27Å; R21-Y25 WeakPolarHBondContact O-CD2 3.43Å; R21-Y25 PolarHBondContact O-N 2.97Å
22	F	77.8	Confident	74.3	Confident	141 Å²	141	97.5 Å²	97.5	62%	0.618	50%	0.5	S	S	*	.	H	α-helix	trans	-63.5	-44	178.1	-176.9	-98.1	0	0	0	111.8	N20 I24 Y25 L26	N20-F22 PolarHBondContact O-N 2.82Å; N20-F22 VanDerWaalsContact O-N 3.1Å; F22-I24 VanDerWaalsContact C-N 3.33Å; F22-Y25 PolarHBondContact O-N 2.88Å; F22-L26 WeakPolarHBondContact O-CB 3.39Å; F22-L26 PolarHBondContact O-N 3.05Å
23	Y	79.9	Confident	75.2	Confident	161 Å²	161	98.2 Å²	98.2	63%	0.631	51%	0.505	S	S	*	.	H	α-helix	trans	-69.8	-32.4	177.4	-64.4	-71	0	0	0	112.3	N20 G27	N20-Y23 PolarHBondContact O-N 3.16Å; Y23-G27 PolarHBondContact O-N 3.16Å
24	I	78.4	Confident	76.4	Confident	64 Å²	64	98.9 Å²	98.9	33%	0.328	50%	0.502	S	S	.	.	H	α-helix	trans	-66.7	-46.7	174.1	-63.3	169.5	0	0	0	110.3	L17 N20 R21 F22 L26 G27 F28	L17-I24 HydrophobicContact CD2-CD1 3.63Å; N20-I24 PolarHBondContact O-N 2.84Å; N20-I24 VanDerWaalsContact O-N 3.13Å; R21-I24 PolarHBondContact O-N 2.84Å; F22-I24 VanDerWaalsContact C-N 3.33Å; I24-L26 PolarHBondContact O-N 2.9Å; I24-G27 PolarHBondContact O-N 3.16Å; I24-F28 HydrophobicContact CG2-CD2 4.04Å; I24-F28 HydrophobicContact CG2-CE2 4.19Å; I24-F28 WeakPolarHBondContact O-CD2 3.26Å; I24-F28 PolarHBondContact O-N 2.94Å
25	Y	83.2	Confident	77.7	Confident	164 Å²	164	101.5 Å²	101.5	64%	0.643	50%	0.503	S	S	*	.	H	α-helix	trans	-64.8	-38.3	176.1	-67.3	-47.3	0	0	0	112.6	R21 F22 F28 A29	R21-Y25 HydrophobicContact CB-CD2 4.41Å; R21-Y25 HydrophobicContact CB-CE2 4.03Å; R21-Y25 HydrophobicContact CG-CE2 4.27Å; R21-Y25 WeakPolarHBondContact O-CD2 3.43Å; R21-Y25 PolarHBondContact O-N 2.97Å; F22-Y25 PolarHBondContact O-N 2.88Å; Y25-F28 PolarHBondContact O-N 3.38Å; Y25-A29 WeakPolarHBondContact O-CB 3.3Å; Y25-A29 PolarHBondContact O-N 3.29Å
26	L	82.9	Confident	78.8	Confident	91 Å²	91	101.9 Å²	101.9	48%	0.476	51%	0.505	S	S	.	.	H	α-helix	trans	-64.2	-41.8	174.9	-167.9	66.1	0	0	0	111.3	F22 I24 A29 V30	F22-L26 WeakPolarHBondContact O-CB 3.39Å; F22-L26 PolarHBondContact O-N 3.05Å; I24-L26 PolarHBondContact O-N 2.9Å; L26-A29 PolarHBondContact O-N 3.32Å; L26-V30 WeakPolarHBondContact O-CB 3.45Å; L26-V30 VanDerWaalsContact O-CG2 3.28Å; L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 3.2Å
27	G	85	Confident	79.8	Confident	40 Å²	40	102.2 Å²	102.2	41%	0.412	51%	0.507	S	S	.	.	H	α-helix	trans	-61.8	-41.4	173.9	0	0	0	0	0	113	Y23 I24 S31	Y23-G27 PolarHBondContact O-N 3.16Å; I24-G27 PolarHBondContact O-N 3.16Å; G27-S31 WeakPolarHBondContact O-CB 3.22Å; G27-S31 PolarHBondContact O-N 3.38Å; G27-S31 PolarHBondContact O-OG 3.24Å
28	F	83.6	Confident	80.8	Confident	130 Å²	130	102.8 Å²	102.8	57%	0.57	51%	0.51	S	S	*	.	H	α-helix	trans	-65.2	-42.5	173.6	-94	-77.2	0	0	0	112.4	I24 Y25 V30 S31 I32	I24-F28 HydrophobicContact CG2-CD2 4.04Å; I24-F28 HydrophobicContact CG2-CE2 4.19Å; I24-F28 WeakPolarHBondContact O-CD2 3.26Å; I24-F28 PolarHBondContact O-N 2.94Å; Y25-F28 PolarHBondContact O-N 3.38Å; F28-V30 PolarHBondContact O-N 3.05Å; F28-S31 VanDerWaalsContact CA-OG 3.29Å; F28-S31 WeakPolarHBondContact CA-OG 3.4Å; F28-S31 PolarHBondContact O-N 3.17Å; F28-S31 PolarHBondContact O-OG 3.46Å; F28-I32 WeakPolarHBondContact O-CB 3.38Å; F28-I32 WeakPolarHBondContact O-CD1 3.38Å; F28-I32 WeakPolarHBondContact O-CG1 3.45Å; F28-I32 PolarHBondContact O-N 3.04Å
29	A	84	Confident	81.4	Confident	49 Å²	49	99.5 Å²	99.5	41%	0.405	50%	0.502	S	S	.	.	H	α-helix	trans	-65	-41.7	178.4	0	0	0	0	0	112.1	Y25 L26 S33	Y25-A29 WeakPolarHBondContact O-CB 3.3Å; Y25-A29 PolarHBondContact O-N 3.29Å; L26-A29 PolarHBondContact O-N 3.32Å; A29-S33 VanDerWaalsContact O-CB 3.31Å; A29-S33 WeakPolarHBondContact O-CB 3.48Å; A29-S33 PolarHBondContact O-N 3.12Å; A29-S33 PolarHBondContact O-OG 3.38Å
30	V	86.6	Confident	81.7	Confident	77 Å²	77	98.7 Å²	98.7	47%	0.467	50%	0.497	S	S	.	.	H	α-helix	trans	-67.9	-41.5	177.5	171.7	0	0	0	0	111.1	L26 F28 S33 L34	L26-V30 WeakPolarHBondContact O-CB 3.45Å; L26-V30 VanDerWaalsContact O-CG2 3.28Å; L26-V30 WeakPolarHBondContact O-CG2 3.43Å; L26-V30 PolarHBondContact O-N 3.2Å; F28-V30 PolarHBondContact O-N 3.05Å; V30-S33 PolarHBondContact O-N 2.86Å; V30-L34 HydrophobicContact CG1-CD1 3.87Å; V30-L34 WeakPolarHBondContact O-CB 3.36Å; V30-L34 PolarHBondContact O-N 2.86Å
31	S	80.8	Confident	82.2	Confident	57 Å²	57	99.5 Å²	99.5	40%	0.399	51%	0.505	S	S	.	.	H	α-helix	trans	-68.2	-38.9	177.5	50.6	0	0	0	0	112.9	G27 F28 L34 W35	G27-S31 WeakPolarHBondContact O-CB 3.22Å; G27-S31 PolarHBondContact O-N 3.38Å; G27-S31 PolarHBondContact O-OG 3.24Å; F28-S31 VanDerWaalsContact CA-OG 3.29Å; F28-S31 WeakPolarHBondContact CA-OG 3.4Å; F28-S31 PolarHBondContact O-N 3.17Å; F28-S31 PolarHBondContact O-OG 3.46Å; S31-L34 PolarHBondContact O-N 2.95Å; S31-W35 WeakPolarHBondContact O-CB 3.27Å; S31-W35 PolarHBondContact O-N 3Å
32	I	87	Confident	82.3	Confident	94 Å²	94	98.2 Å²	98.2	48%	0.482	51%	0.505	S	S	.	.	H	α-helix	trans	-65.5	-41.3	173.1	-68.5	166.6	0	0	0	110.7	F28 W35 I36	F28-I32 WeakPolarHBondContact O-CB 3.38Å; F28-I32 WeakPolarHBondContact O-CD1 3.38Å; F28-I32 WeakPolarHBondContact O-CG1 3.45Å; F28-I32 PolarHBondContact O-N 3.04Å; I32-W35 WeakPolarHBondContact O-CB 3.4Å; I32-W35 PolarHBondContact O-N 3.09Å; I32-I36 HydrophobicContact CG2-CD1 3.86Å; I32-I36 HydrophobicContact CG2-CG1 4.46Å; I32-I36 VanDerWaalsContact O-CG1 3.3Å; I32-I36 WeakPolarHBondContact O-CG1 3.38Å; I32-I36 PolarHBondContact O-N 3.13Å
33	S	82.4	Confident	81.8	Confident	68 Å²	68	98.9 Å²	98.9	48%	0.476	51%	0.507	S	S	.	.	H	α-helix	trans	-65	-43.1	177.7	-58.7	0	0	0	0	111.7	A29 V30 W35 I36 C37	A29-S33 VanDerWaalsContact O-CB 3.31Å; A29-S33 WeakPolarHBondContact O-CB 3.48Å; A29-S33 PolarHBondContact O-N 3.12Å; A29-S33 PolarHBondContact O-OG 3.38Å; V30-S33 PolarHBondContact O-N 2.86Å; S33-W35 VanDerWaalsContact C-N 3.34Å; S33-I36 PolarHBondContact O-N 3.37Å; S33-C37 WeakPolarHBondContact O-CB 3.49Å; S33-C37 PolarHBondContact O-N 3.14Å; S33-C37 PolarHBondContact O-SG 3.09Å; S33-C37 VanDerWaalsContact O-SG 3.37Å
34	L	86.4	Confident	80.9	Confident	112 Å²	112	97.6 Å²	97.6	59%	0.586	51%	0.509	S	S	*	.	H	α-helix	trans	-62.5	-40.3	172.8	-87	158.4	0	0	0	111.8	V30 S31 C37 L38	V30-L34 HydrophobicContact CG1-CD1 3.87Å; V30-L34 WeakPolarHBondContact O-CB 3.36Å; V30-L34 PolarHBondContact O-N 2.86Å; S31-L34 PolarHBondContact O-N 2.95Å; L34-C37 PolarHBondContact O-N 3.01Å; L34-L38 WeakPolarHBondContact O-CB 3.4Å; L34-L38 PolarHBondContact O-N 3.16Å
35	W	87.5	Confident	79.9	Confident	180 Å²	180	100.1 Å²	100.1	68%	0.682	52%	0.519	S	S	*	.	H	α-helix	trans	-61.8	-46	175.5	-173	-58	0	0	0	111.4	S31 I32 S33 L38 Q39	S31-W35 WeakPolarHBondContact O-CB 3.27Å; S31-W35 PolarHBondContact O-N 3Å; I32-W35 WeakPolarHBondContact O-CB 3.4Å; I32-W35 PolarHBondContact O-N 3.09Å; S33-W35 VanDerWaalsContact C-N 3.34Å; W35-L38 PolarHBondContact O-N 3.33Å; W35-Q39 WeakPolarHBondContact O-CB 3Å; W35-Q39 VanDerWaalsContact O-CG 3.3Å; W35-Q39 WeakPolarHBondContact O-CG 3.22Å; W35-Q39 PolarHBondContact O-N 3.5Å
36	I	85.1	Confident	78.5	Confident	92 Å²	92	96.9 Å²	96.9	47%	0.472	51%	0.513	S	S	.	.	H	α-helix	trans	-63.7	-43.7	178.4	-68.1	166.6	0	0	0	110.3	I32 S33 L38 Q39 I40	I32-I36 HydrophobicContact CG2-CD1 3.86Å; I32-I36 HydrophobicContact CG2-CG1 4.46Å; I32-I36 VanDerWaalsContact O-CG1 3.3Å; I32-I36 WeakPolarHBondContact O-CG1 3.38Å; I32-I36 PolarHBondContact O-N 3.13Å; S33-I36 PolarHBondContact O-N 3.37Å; I36-L38 VanDerWaalsContact C-N 3.34Å; I36-L38 PolarHBondContact O-N 3.35Å; I36-Q39 PolarHBondContact O-N 2.6Å; I36-I40 HydrophobicContact CG2-CD1 3.94Å; I36-I40 VanDerWaalsContact O-CG1 3.3Å; I36-I40 WeakPolarHBondContact O-CG1 3.41Å; I36-I40 PolarHBondContact O-N 2.73Å
37	C	81.9	Confident	76.9	Confident	75 Å²	75	100.7 Å²	100.7	51%	0.507	52%	0.521	S	S	.	.	H	α-helix	trans	-60.8	-42.9	174.2	-73.1	0	0	0	0	111.8	S33 L34 Q39 I40 V41	S33-C37 WeakPolarHBondContact O-CB 3.49Å; S33-C37 PolarHBondContact O-N 3.14Å; S33-C37 PolarHBondContact O-SG 3.09Å; S33-C37 VanDerWaalsContact O-SG 3.37Å; L34-C37 PolarHBondContact O-N 3.01Å; C37-Q39 PolarHBondContact O-N 3.08Å; C37-I40 PolarHBondContact O-N 2.86Å; C37-V41 WeakPolarHBondContact O-CG2 3.37Å; C37-V41 PolarHBondContact O-N 3.44Å
38	L	82.4	Confident	75	Confident	110 Å²	110	101.6 Å²	101.6	58%	0.576	52%	0.521	S	S	*	.	H	α-helix	trans	-63.7	-41.5	177.1	-149.4	93.4	0	0	0	111.4	L34 W35 I36 I40 V41 I42	L34-L38 WeakPolarHBondContact O-CB 3.4Å; L34-L38 PolarHBondContact O-N 3.16Å; W35-L38 PolarHBondContact O-N 3.33Å; I36-L38 VanDerWaalsContact C-N 3.34Å; I36-L38 PolarHBondContact O-N 3.35Å; L38-I40 VanDerWaalsContact C-N 3.35Å; L38-I40 PolarHBondContact O-N 2.83Å; L38-V41 PolarHBondContact O-N 2.98Å; L38-I42 HydrophobicContact CD2-CD1 3.95Å; L38-I42 HydrophobicContact CG-CD1 4.19Å; L38-I42 WeakPolarHBondContact O-CB 3.4Å; L38-I42 WeakPolarHBondContact O-CG1 3.35Å; L38-I42 PolarHBondContact O-N 2.8Å
39	Q	78.4	Confident	73.3	Confident	101 Å²	101	100.1 Å²	100.1	47%	0.472	52%	0.518	S	S	.	.	H	α-helix	trans	-64.1	-38.3	176	-74.9	-70.2	-25.5	0	0	112.1	W35 I36 C37 K43	W35-Q39 WeakPolarHBondContact O-CB 3Å; W35-Q39 VanDerWaalsContact O-CG 3.3Å; W35-Q39 WeakPolarHBondContact O-CG 3.22Å; W35-Q39 PolarHBondContact O-N 3.5Å; I36-Q39 PolarHBondContact O-N 2.6Å; C37-Q39 PolarHBondContact O-N 3.08Å; Q39-K43 WeakPolarHBondContact O-CB 3.43Å; Q39-K43 PolarHBondContact O-N 2.87Å
40	I	77.9	Confident	71.4	Confident	97 Å²	97	104.7 Å²	104.7	50%	0.497	53%	0.531	S	S	.	.	H	α-helix	trans	-66.7	-43.7	175.1	-68.7	167	0	0	0	110.3	I36 C37 L38 K43 M44	I36-I40 HydrophobicContact CG2-CD1 3.94Å; I36-I40 VanDerWaalsContact O-CG1 3.3Å; I36-I40 WeakPolarHBondContact O-CG1 3.41Å; I36-I40 PolarHBondContact O-N 2.73Å; C37-I40 PolarHBondContact O-N 2.86Å; L38-I40 VanDerWaalsContact C-N 3.35Å; L38-I40 PolarHBondContact O-N 2.83Å; I40-K43 PolarHBondContact O-N 3.08Å; I40-M44 HydrophobicContact CG2-SD 4.41Å; I40-M44 WeakPolarHBondContact O-CB 3.14Å; I40-M44 WeakPolarHBondContact O-CG 3.26Å; I40-M44 PolarHBondContact O-N 2.77Å
41	V	78.4	Confident	69.3	Low	85 Å²	85	108.5 Å²	108.5	52%	0.515	54%	0.544	S	S	.	.	H	α-helix	trans	-64.4	-45.6	177.7	172.5	0	0	0	0	111.2	C37 L38 K43 M44 Q45	C37-V41 WeakPolarHBondContact O-CG2 3.37Å; C37-V41 PolarHBondContact O-N 3.44Å; L38-V41 PolarHBondContact O-N 2.98Å; V41-K43 VanDerWaalsContact C-N 3.31Å; V41-K43 PolarHBondContact O-N 2.87Å; V41-M44 PolarHBondContact O-N 2.59Å; V41-Q45 WeakPolarHBondContact O-CB 3.33Å; V41-Q45 PolarHBondContact O-N 3.1Å
42	I	78.3	Confident	67.2	Low	74 Å²	74	114.1 Å²	114.1	38%	0.379	56%	0.561	S	S	.	*	H	α-helix	trans	-59.7	-43.4	175.5	-69.1	165.1	0	0	0	110.1	L38 M44 Q45 D46	L38-I42 HydrophobicContact CD2-CD1 3.95Å; L38-I42 HydrophobicContact CG-CD1 4.19Å; L38-I42 WeakPolarHBondContact O-CB 3.4Å; L38-I42 WeakPolarHBondContact O-CG1 3.35Å; L38-I42 PolarHBondContact O-N 2.8Å; I42-M44 PolarHBondContact O-N 3.35Å; I42-Q45 PolarHBondContact O-N 3.03Å; I42-D46 WeakPolarHBondContact O-CB 3.19Å; I42-D46 PolarHBondContact O-N 2.98Å
43	K	68.3	Low	64.5	Low	156 Å²	156	119.3 Å²	119.3	68%	0.678	58%	0.576	S	S	*	*	H	α-helix	trans	-69.4	-31	179	-162	173.9	-174.3	174.2	0	113.2	Q39 I40 V41 R47	Q39-K43 WeakPolarHBondContact O-CB 3.43Å; Q39-K43 PolarHBondContact O-N 2.87Å; I40-K43 PolarHBondContact O-N 3.08Å; V41-K43 VanDerWaalsContact C-N 3.31Å; V41-K43 PolarHBondContact O-N 2.87Å; K43-R47 PolarHBondContact O-N 2.92Å; K43-R47 VanDerWaalsContact O-N 3.12Å
44	M	60.9	Low	62	Low	134 Å²	134	122.2 Å²	122.2	66%	0.66	59%	0.591	S	S	*	*	H	α-helix	trans	-71.8	-36.5	171.2	-74	-169.3	78	0	0	111.5	I40 V41 I42 R47 S48	I40-M44 HydrophobicContact CG2-SD 4.41Å; I40-M44 WeakPolarHBondContact O-CB 3.14Å; I40-M44 WeakPolarHBondContact O-CG 3.26Å; I40-M44 PolarHBondContact O-N 2.77Å; V41-M44 PolarHBondContact O-N 2.59Å; I42-M44 PolarHBondContact O-N 3.35Å; M44-R47 PolarHBondContact O-N 3.36Å; M44-S48 PolarHBondContact O-N 3.03Å
45	Q	56.4	Low	59.4	Low	117 Å²	117	122.6 Å²	122.6	55%	0.547	60%	0.6	S	S	.	*	H	α-helix	trans	-73	-37.5	177.6	-157.8	164.3	-0.6	0	0	111.8	V41 I42 S48 L49	V41-Q45 WeakPolarHBondContact O-CB 3.33Å; V41-Q45 PolarHBondContact O-N 3.1Å; I42-Q45 PolarHBondContact O-N 3.03Å; Q45-S48 CarbonylContact O-C 3.58Å; Q45-S48 PolarHBondContact O-N 2.7Å; Q45-S48 VanDerWaalsContact O-N 3.14Å; Q45-S48 PolarHBondContact O-OG 2.78Å; Q45-L49 HydrophobicContact CG-CD1 4.35Å; Q45-L49 WeakPolarHBondContact O-CB 3.33Å; Q45-L49 WeakPolarHBondContact O-CG 3.46Å; Q45-L49 PolarHBondContact O-N 3.45Å
46	D	54	Low	56.5	Low	95 Å²	95	124.5 Å²	124.5	51%	0.508	61%	0.607	S	S	.	*	H	α-helix	trans	-63.7	-39	171	-104.8	-10.2	0	0	0	111.7	I42 S48 L49 Q50	I42-D46 WeakPolarHBondContact O-CB 3.19Å; I42-D46 PolarHBondContact O-N 2.98Å; D46-S48 VanDerWaalsContact C-N 3.33Å; D46-S48 PolarHBondContact O-N 3.1Å; D46-L49 PolarHBondContact O-N 3.29Å; D46-Q50 WeakPolarHBondContact O-CB 3.42Å; D46-Q50 PolarHBondContact O-N 2.76Å
47	R	49.3	Very low	53.9	Low	172 Å²	172	124.3 Å²	124.3	65%	0.649	62%	0.619	S	S	*	*	H	α-helix	trans	-61.1	-41.3	170.1	-102.5	-177.4	75.4	179.4	2.9	111.8	K43 M44 L49 E51	K43-R47 PolarHBondContact O-N 2.92Å; K43-R47 VanDerWaalsContact O-N 3.12Å; M44-R47 PolarHBondContact O-N 3.36Å; R47-L49 VanDerWaalsContact C-N 3.33Å; R47-L49 PolarHBondContact O-N 2.84Å; R47-E51 PolarHBondContact O-N 3.13Å; R47-E51 VanDerWaalsContact O-N 3.11Å
48	S	44.6	Very low	51.5	Low	59 Å²	59	126.9 Å²	126.9	41%	0.413	64%	0.635	S	S	.	*	H	α-helix	trans	-71.1	-26.3	178.7	83.9	0	0	0	0	113.9	M44 Q45 D46	M44-S48 PolarHBondContact O-N 3.03Å; Q45-S48 CarbonylContact O-C 3.58Å; Q45-S48 PolarHBondContact O-N 2.7Å; Q45-S48 VanDerWaalsContact O-N 3.14Å; Q45-S48 PolarHBondContact O-OG 2.78Å; D46-S48 VanDerWaalsContact C-N 3.33Å; D46-S48 PolarHBondContact O-N 3.1Å
49	L	48.1	Very low	49.1	Very low	99 Å²	99	129.6 Å²	129.6	52%	0.518	65%	0.645	S	S	.	*	H	α-helix	trans	-87.2	-35.6	178.6	-77	165.3	0	0	0	111.8	Q45 D46 R47 E51 K52 Y53	Q45-L49 HydrophobicContact CG-CD1 4.35Å; Q45-L49 WeakPolarHBondContact O-CB 3.33Å; Q45-L49 WeakPolarHBondContact O-CG 3.46Å; Q45-L49 PolarHBondContact O-N 3.45Å; D46-L49 PolarHBondContact O-N 3.29Å; R47-L49 VanDerWaalsContact C-N 3.33Å; R47-L49 PolarHBondContact O-N 2.84Å; L49-E51 VanDerWaalsContact C-N 3.33Å; L49-K52 PolarHBondContact O-N 2.88Å; L49-K52 VanDerWaalsContact O-N 3.12Å; L49-Y53 PolarHBondContact O-N 2.97Å
50	Q	44.3	Very low	46.7	Very low	145 Å²	145	132.2 Å²	132.2	68%	0.678	66%	0.662	S	S	*	*	H	α-helix	trans	-68.3	-29	170.6	-81.7	-169.7	-41.6	0	0	112.9	D46 K52	D46-Q50 WeakPolarHBondContact O-CB 3.42Å; D46-Q50 PolarHBondContact O-N 2.76Å; Q50-K52 PolarHBondContact O-N 3.46Å
51	E	41.8	Very low	44.4	Very low	156 Å²	156	134.3 Å²	134.3	73%	0.729	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-15.2	169.8	-84.7	176.8	-178.9	0	0	113.2	R47 L49	R47-E51 PolarHBondContact O-N 3.13Å; R47-E51 VanDerWaalsContact O-N 3.11Å; L49-E51 VanDerWaalsContact C-N 3.33Å
52	K	37.4	Very low	42.1	Very low	176 Å²	176	138.3 Å²	138.3	77%	0.765	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-7.8	-180	-82.9	-178.1	177	176.9	0	115.6	L49 Q50	L49-K52 PolarHBondContact O-N 2.88Å; L49-K52 VanDerWaalsContact O-N 3.12Å; Q50-K52 PolarHBondContact O-N 3.46Å
53	Y	30.4	Very low	39.8	Very low	203 Å²	203	140.4 Å²	140.4	80%	0.796	71%	0.705	S	S	*	*			trans	-134.2	89.9	-179	-103	-96.1	0	0	0	112	L49	L49-Y53 PolarHBondContact O-N 2.97Å
54	V	31	Very low	38	Very low	129 Å²	129	140.9 Å²	140.9	78%	0.782	72%	0.715	S	S	*	*			trans	-118.5	121	155.5	179.2	0	0	0	0	107.1
55	P	30	Very low	36.5	Very low	119 Å²	119	138.1 Å²	138.1	77%	0.773	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-71.7	131	-178.5	-11.9	26.5	0	0	0	111.6
56	R	26.6	Very low	35.1	Very low	220 Å²	220	143 Å²	143	83%	0.83	74%	0.736	S	S	*	*	P	Polyproline II helix	trans	-77.7	133.4	164.3	-77.6	179.4	177.2	171.4	-0.1	109.9
57	A	31.6	Very low	34	Very low	88 Å²	88	144.6 Å²	144.6	73%	0.727	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-68.9	156.6	159.1	0	0	0	0	0	110.4
58	P	32.2	Very low	33.1	Very low	130 Å²	130	140.1 Å²	140.1	84%	0.844	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-74.6	140.9	-159.7	9.3	1.4	0	0	0	113.5
59	Q	30.3	Very low	32.9	Very low	166 Å²	166	145.3 Å²	145.3	78%	0.776	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-80.6	134	171	-75.8	168.5	-58.4	0	0	110.6
60	D	28.1	Very low	32.2	Very low	156 Å²	156	148.5 Å²	148.5	83%	0.834	78%	0.778	S	S	*	*			trans	-109.9	122.9	150.2	-92.3	-31.6	0	0	0	110
61	L	31.1	Very low	32.1	Very low	141 Å²	141	151.2 Å²	151.2	74%	0.738	79%	0.791	S	S	*	*			trans	51.3	109.8	156.6	-85.4	79.4	0	0	0	122.6
62	M	29.5	Very low	32.2	Very low	170 Å²	170	152.8 Å²	152.8	84%	0.837	80%	0.795	S	S	*	*				54.4	130.6	127.4	-60.8	-166.2	169.2	0	0	118.7
63	T	29.1	Very low	33	Very low	118 Å²	118	150.7 Å²	150.7	72%	0.724	79%	0.792	S	S	*	*			cis	-172.1	144	22.5	-1.8	0	0	0	0	109.1
64	N	31.3	Very low	34.6	Very low	165 Å²	165	145.9 Å²	145.9	88%	0.882	78%	0.78	S	S	*	*			trans	55.3	116.1	152.9	-70.6	-5.4	0	0	0	123.2
65	G	28.6	Very low	36.6	Very low	76 Å²	76	144.1 Å²	144.1	78%	0.784	76%	0.761	S	S	*	*			trans	149.8	71.8	150.9	0	0	0	0	0	115.3	V67	G65-V67 PolarHBondContact O-N 3.43Å
66	Y	28.1	Very low	39.1	Very low	219 Å²	219	138.8 Å²	138.8	86%	0.859	73%	0.727	S	S	*	*			trans	-79.7	107.2	177.2	-167	-98.5	0	0	0	110.9
67	V	30.8	Very low	41.7	Very low	129 Å²	129	130.4 Å²	130.4	78%	0.782	70%	0.702	S	S	*	*			trans	-104	117.2	160.3	177.5	0	0	0	0	107.4	G65 L69	G65-V67 PolarHBondContact O-N 3.43Å; V67-L69 PolarHBondContact O-N 3.5Å
68	S	31.3	Very low	44.4	Very low	78 Å²	78	126.3 Å²	126.3	55%	0.545	67%	0.668	S	S	.	*			trans	-64.5	112.5	175.5	152.2	0	0	0	0	110.7	Q70	S68-Q70 PolarHBondContact O-N 3Å
69	L	38.7	Very low	47.2	Very low	168 Å²	168	120.1 Å²	120.1	88%	0.88	63%	0.628	S	S	*	*			trans	-81.5	107	168.4	-79.1	164.9	0	0	0	109.6	V67	V67-L69 PolarHBondContact O-N 3.5Å
70	Q	34.2	Very low	50.2	Low	167 Å²	167	114.7 Å²	114.7	78%	0.78	60%	0.602	S	S	*	*			trans	-66.8	130.9	162.6	-71.3	-179	-27.7	0	0	109.3	S68 K72	S68-Q70 PolarHBondContact O-N 3Å; Q70-K72 PolarHBondContact O-N 3.09Å; Q70-K72 VanDerWaalsContact O-N 3.08Å
71	E	42.3	Very low	53.4	Low	201 Å²	201	107.2 Å²	107.2	94%	0.939	56%	0.562	S	S	*	*			trans	-61	108.8	166.3	-79.4	-177.5	146.7	0	0	108.9
72	K	43.4	Very low	56.5	Low	189 Å²	189	100.5 Å²	100.5	82%	0.822	53%	0.527	S	S	*	.			trans	-74.6	128	174.6	-77.2	179.8	176.4	175.7	0	109.6	Q70 I74	Q70-K72 PolarHBondContact O-N 3.09Å; Q70-K72 VanDerWaalsContact O-N 3.08Å; K72-I74 PolarHBondContact O-N 3.43Å
73	D	54.4	Low	59.7	Low	132 Å²	132	93.7 Å²	93.7	71%	0.706	49%	0.492	S	S	*	.			trans	-58.5	109.1	167.9	-88.5	-38	0	0	0	110.5	F75	D73-F75 HydrophobicContact CB-CD2 4.41Å; D73-F75 HydrophobicContact CB-CE2 3.74Å; D73-F75 HydrophobicContact CB-CZ 3.97Å; D73-F75 VanDerWaalsContact O-CD2 3.28Å; D73-F75 WeakPolarHBondContact O-CD2 3.5Å; D73-F75 PolarHBondContact O-N 2.75Å
74	I	64.6	Low	62.8	Low	103 Å²	103	88 Å²	88	53%	0.528	46%	0.457	S	S	.	.			trans	-81.1	104.8	177.7	-57.2	175.5	0	0	0	108.8	K72 V76 K129	K72-I74 PolarHBondContact O-N 3.43Å; I74-V76 WeakPolarHBondContact CG2-O 3.39Å; I74-K129 WeakPolarHBondContact O-CD 3.24Å; I74-K129 PolarHBondContact O-NZ 2.84Å
75	F	73.6	Confident	65.7	Low	91 Å²	91	81 Å²	81	40%	0.399	42%	0.421	S	S	.	.	S	Bend	trans	-84.6	-24.7	175.9	-68.1	-78.3	0	0	0	113.5	D73 R173 L243	D73-F75 HydrophobicContact CB-CD2 4.41Å; D73-F75 HydrophobicContact CB-CE2 3.74Å; D73-F75 HydrophobicContact CB-CZ 3.97Å; D73-F75 VanDerWaalsContact O-CD2 3.28Å; D73-F75 WeakPolarHBondContact O-CD2 3.5Å; D73-F75 PolarHBondContact O-N 2.75Å; F75-R173 PolarHBondContact O-NH1 2.93Å; F75-R173 PolarHBondContact O-NH2 3.04Å; F75-L243 WeakPolarHBondContact CB-O 3.48Å
76	V	80.6	Confident	68.5	Low	8 Å²	8	81.1 Å²	81.1	5%	0.048	40%	0.401	C	S	.	.			trans	-140.6	119.1	175.8	-179.7	0	0	0	0	108.2	I74 L106 V131 L240 L243	I74-V76 WeakPolarHBondContact CG2-O 3.39Å; V76-L106 HydrophobicContact CG1-CD1 4.48Å; V76-V131 HydrophobicContact CG1-CG2 4.16Å; V76-L240 HydrophobicContact CG1-CD1 4.05Å; V76-L243 HydrophobicContact CG2-CB 3.74Å
77	S	81	Confident	71.2	Confident	43 Å²	43	76.4 Å²	76.4	30%	0.301	40%	0.395	S	S	.	.			trans	-84.3	-23	-177.9	-30.1	0	0	0	0	113	P107 S128 K129	S77-P107 WeakPolarHBondContact O-CD 3.47Å; S77-P107 WeakPolarHBondContact O-CG 3.43Å; S77-S128 VanDerWaalsContact CB-O 3.29Å; S77-S128 WeakPolarHBondContact CB-O 2.77Å; S77-S128 PolarHBondContact OG-O 3.41Å; S77-K129 PolarHBondContact N-O 3.41Å; S77-K129 WeakPolarHBondContact OG-CB 3.29Å
78	G	88.7	Confident	74	Confident	2 Å²	2	71.7 Å²	71.7	2%	0.021	37%	0.373	C	S	.	.			trans	166.2	177.8	-173.6	0	0	0	0	0	112.9	P107 N130 V131	G78-P107 CarbonylContact C-O 3.6Å; G78-P107 VanDerWaalsContact CA-O 3.24Å; G78-P107 WeakPolarHBondContact CA-O 3.48Å; G78-N130 PolarHBondContact N-OD1 3.2Å; G78-N130 VanDerWaalsContact O-CA 3.31Å; G78-N130 WeakPolarHBondContact O-CA 3.33Å; G78-V131 PolarHBondContact O-N 3.32Å
79	V	91.9	Very high	76.9	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.006	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.5	177.7	-175.5	0	0	0	0	110.1	I81 V101 P107 V108 A109 V131 V133 F236 L240	V79-I81 HydrophobicContact CG1-CG1 3.96Å; V79-V101 HydrophobicContact CB-CG1 3.91Å; V79-V101 HydrophobicContact CB-CG2 4.47Å; V79-V101 HydrophobicContact CG1-CG2 4.45Å; V79-V101 HydrophobicContact CG2-CG1 3.61Å; V79-V101 HydrophobicContact CG2-CG2 4.25Å; V79-P107 PolarHBondContact N-O 2.86Å; V79-V108 HydrophobicContact CB-CG2 4.42Å; V79-V108 VanDerWaalsContact O-CA 3.26Å; V79-V108 WeakPolarHBondContact O-CA 3.4Å; V79-A109 PolarHBondContact O-N 2.91Å; V79-V131 WeakPolarHBondContact CA-O 3.46Å; V79-V131 WeakPolarHBondContact CG1-O 3.36Å; V79-V133 HydrophobicContact CG1-CG2 3.87Å; V79-F236 HydrophobicContact CG1-CZ 4.42Å; V79-L240 HydrophobicContact CG2-CD1 4.02Å; V79-L240 HydrophobicContact CG2-CD2 3.67Å
80	K	93.5	Very high	79.6	Confident	51 Å²	51	62.6 Å²	62.6	22%	0.222	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	122.1	171	-66.4	-166.6	177.7	-177.2	0	109.4	F82 A109 I111 E125 N130 V131 C132 V133	K80-F82 HydrophobicContact CB-CE2 3.75Å; K80-F82 HydrophobicContact CB-CZ 4.01Å; K80-F82 HydrophobicContact CD-CZ 4.44Å; K80-A109 HydrophobicContact CG-CB 4.35Å; K80-I111 HydrophobicContact CB-CD1 4.38Å; K80-I111 HydrophobicContact CD-CD1 4.01Å; K80-E125 VanDerWaalsContact CD-OE1 3.22Å; K80-E125 WeakPolarHBondContact CD-OE1 3.19Å; K80-E125 VanDerWaalsContact CE-OE1 3.26Å; K80-E125 WeakPolarHBondContact CE-OE1 3.42Å; K80-E125 IonicContact NZ-OE1 3.98Å; K80-E125 PolarHBondContact NZ-OE1 3.05Å; K80-E125 IonicContact NZ-OE2 3.82Å; K80-N130 WeakPolarHBondContact CE-ND2 3.46Å; K80-V131 PolarHBondContact N-O 2.81Å; K80-C132 CarbonylContact O-C 3.5Å; K80-C132 WeakPolarHBondContact O-CA 3.29Å; K80-V133 PolarHBondContact O-N 3.34Å
81	I	95.5	Very high	82.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	107.9	-176.3	-54.2	169.2	0	0	0	108.3	V79 A94 L97 A98 V108 A109 I110 I111 V133 L135	V79-I81 HydrophobicContact CG1-CG1 3.96Å; I81-A94 HydrophobicContact CG2-CB 3.74Å; I81-L97 HydrophobicContact CD1-CB 3.97Å; I81-L97 HydrophobicContact CD1-CD2 3.84Å; I81-L97 HydrophobicContact CD1-CG 3.7Å; I81-L97 HydrophobicContact CG1-CD2 4.1Å; I81-L97 HydrophobicContact CG1-CG 4.48Å; I81-L97 HydrophobicContact CG2-CD2 4.28Å; I81-A98 HydrophobicContact CD1-CB 3.9Å; I81-V108 HydrophobicContact CD1-CG2 3.58Å; I81-V108 HydrophobicContact CG1-CG2 4.05Å; I81-A109 PolarHBondContact N-O 3.11Å; I81-I110 CarbonylContact O-C 3.57Å; I81-I110 WeakPolarHBondContact O-CA 3.46Å; I81-I111 PolarHBondContact O-N 2.96Å; I81-V133 CarbonylContact C-O 3.57Å; I81-V133 WeakPolarHBondContact CA-O 3.11Å; I81-V133 HydrophobicContact CG1-CB 4.35Å; I81-V133 HydrophobicContact CG2-CB 4.5Å; I81-L135 HydrophobicContact CG2-CD1 3.86Å; I81-L135 HydrophobicContact CG2-CG 4.18Å
82	F	95.4	Very high	84.9	Confident	0 Å²	0	52 Å²	52	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.9	176.2	-58.9	-86.2	0	0	0	109.9	K80 I111 L113 Y116 C132 V133 F134 L135	K80-F82 HydrophobicContact CB-CE2 3.75Å; K80-F82 HydrophobicContact CB-CZ 4.01Å; K80-F82 HydrophobicContact CD-CZ 4.44Å; F82-I111 VanDerWaalsContact CA-O 3.31Å; F82-I111 WeakPolarHBondContact CA-O 3.39Å; F82-I111 HydrophobicContact CD1-CB 3.79Å; F82-I111 HydrophobicContact CD1-CD1 4.31Å; F82-I111 HydrophobicContact CD1-CG2 3.85Å; F82-I111 HydrophobicContact CE1-CB 3.96Å; F82-I111 HydrophobicContact CE1-CD1 3.62Å; F82-I111 HydrophobicContact CE1-CG1 4.37Å; F82-I111 HydrophobicContact CE1-CG2 3.91Å; F82-I111 HydrophobicContact CZ-CD1 3.95Å; F82-L113 HydrophobicContact CB-CD2 3.79Å; F82-L113 HydrophobicContact CB-CG 4.13Å; F82-L113 HydrophobicContact CD1-CD2 4.01Å; F82-L113 HydrophobicContact CG-CD2 4.24Å; F82-Y116 HydrophobicContact CD1-CD1 4.47Å; F82-Y116 HydrophobicContact CD1-CD2 4.4Å; F82-Y116 HydrophobicContact CD1-CG 4.32Å; F82-Y116 HydrophobicContact CE1-CD1 4.18Å; F82-Y116 AromaticContact CE1-CD2 3.71Å; F82-Y116 HydrophobicContact CE1-CD2 3.71Å; F82-Y116 HydrophobicContact CE1-CE1 4.05Å; F82-Y116 AromaticContact CE1-CE2 3.54Å; F82-Y116 HydrophobicContact CE1-CE2 3.54Å; F82-Y116 AromaticContact CE1-CG 4Å; F82-Y116 HydrophobicContact CE1-CG 4Å; F82-Y116 AromaticContact CE1-CZ 3.71Å; F82-Y116 HydrophobicContact CZ-CE2 4.13Å; F82-C132 HydrophobicContact CD2-CB 4.36Å; F82-C132 HydrophobicContact CE2-CB 3.87Å; F82-V133 PolarHBondContact N-O 3.45Å; F82-F134 HydrophobicContact CB-CD1 3.63Å; F82-F134 HydrophobicContact CB-CE1 3.92Å; F82-F134 HydrophobicContact CB-CG 4.44Å; F82-F134 HydrophobicContact CD1-CE1 4.5Å; F82-F134 HydrophobicContact CD2-CD1 4Å; F82-F134 AromaticContact CD2-CE1 3.6Å; F82-F134 HydrophobicContact CD2-CE1 3.6Å; F82-F134 AromaticContact CD2-CZ 3.91Å; F82-F134 HydrophobicContact CD2-CZ 3.91Å; F82-F134 HydrophobicContact CE2-CE1 4.26Å; F82-F134 HydrophobicContact CE2-CZ 4.23Å; F82-F134 AromaticContact CG-CD1 3.99Å; F82-F134 HydrophobicContact CG-CD1 3.99Å; F82-F134 AromaticContact CG-CE1 3.74Å; F82-F134 HydrophobicContact CG-CE1 3.74Å; F82-F134 HydrophobicContact CG-CZ 4.49Å; F82-F134 WeakPolarHBondContact O-CA 3.2Å; F82-L135 PolarHBondContact O-N 3.45Å
83	Y	96.1	Very high	87.4	Confident	26 Å²	26	43.8 Å²	43.8	10%	0.102	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	144.3	176.4	73.2	-95.3	0	0	0	113.5	K91 A94 I110 I111 N112 L113 L135	Y83-K91 HydrophobicContact CD2-CB 3.9Å; Y83-K91 HydrophobicContact CD2-CG 4.41Å; Y83-K91 HydrophobicContact CE1-CG 4.16Å; Y83-K91 HydrophobicContact CE2-CB 3.83Å; Y83-K91 HydrophobicContact CE2-CD 4.22Å; Y83-K91 HydrophobicContact CE2-CG 3.97Å; Y83-K91 HydrophobicContact CG-CB 4.36Å; Y83-A94 HydrophobicContact CD1-CB 4.11Å; Y83-A94 HydrophobicContact CG-CB 4.42Å; Y83-I110 HydrophobicContact CD1-CG2 3.66Å; Y83-I110 HydrophobicContact CE1-CG2 3.64Å; Y83-I111 WeakPolarHBondContact CD1-O 3.38Å; Y83-I111 PolarHBondContact N-O 3.09Å; Y83-N112 HydrophobicContact CE1-CB 4.06Å; Y83-N112 HydrophobicContact CE2-CB 4.2Å; Y83-N112 WeakPolarHBondContact OH-CB 3.34Å; Y83-L113 WeakPolarHBondContact O-CB 3.28Å; Y83-L113 WeakPolarHBondContact O-CG 3.1Å; Y83-L113 PolarHBondContact O-N 3.43Å; Y83-L135 CarbonylContact C-O 3.58Å; Y83-L135 VanDerWaalsContact CA-O 3.26Å; Y83-L135 WeakPolarHBondContact CA-O 3.46Å
84	G	94.6	Very high	89.4	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	110.2	169.7	0	0	0	0	0	110	A90 L135 A137 T145	G84-A90 WeakPolarHBondContact O-CB 3.14Å; G84-L135 PolarHBondContact N-O 3.43Å; G84-A137 PolarHBondContact O-N 3.06Å; G84-T145 VanDerWaalsContact C-OG1 3.29Å
85	S	91.4	Very high	90.9	Very high	17 Å²	17	35.4 Å²	35.4	12%	0.119	20%	0.202	C	C	.	.			trans	-137.8	145.5	-174.7	-154.1	0	0	0	0	113.1	G88 T89 A90 T145 S147	S85-G88 VanDerWaalsContact OG-C 3.31Å; S85-G88 VanDerWaalsContact OG-CA 3.24Å; S85-G88 WeakPolarHBondContact OG-CA 3.35Å; S85-G88 PolarHBondContact OG-N 2.89Å; S85-T89 PolarHBondContact OG-N 3.36Å; S85-A90 PolarHBondContact OG-N 2.93Å; S85-T145 PolarHBondContact N-OG1 3.23Å; S85-S147 PolarHBondContact N-OG 2.71Å; S85-S147 PolarHBondContact O-OG 3.42Å
86	Q	87.6	Confident	92	Very high	78 Å²	78	33.7 Å²	33.7	36%	0.364	20%	0.199	S	C	.	.	S	Bend	trans	-100.9	-49.4	170.4	-164	70.8	25.5	0	0	111.3	Y139 T145	Q86-Y139 HydrophobicContact CB-CD2 4.05Å; Q86-Y139 HydrophobicContact CB-CE2 3.94Å; Q86-Y139 HydrophobicContact CG-CD2 4.18Å; Q86-Y139 HydrophobicContact CG-CE1 4.38Å; Q86-Y139 HydrophobicContact CG-CE2 3.68Å; Q86-T145 HydrophobicContact CB-CG2 3.9Å
87	T	85.1	Confident	92.6	Very high	120 Å²	120	33.3 Å²	33.3	74%	0.736	20%	0.196	S	C	*	.	S	Bend	trans	-102.5	1	-175.6	53.3	0	0	0	0	113.8
88	G	90.8	Very high	93.2	Very high	31 Å²	31	31.5 Å²	31.5	32%	0.32	18%	0.184	S	C	.	.	S	Bend	trans	97	-9.4	175.5	0	0	0	0	0	116	S85 A90 K91 G92	S85-G88 VanDerWaalsContact OG-C 3.31Å; S85-G88 VanDerWaalsContact OG-CA 3.24Å; S85-G88 WeakPolarHBondContact OG-CA 3.35Å; S85-G88 PolarHBondContact OG-N 2.89Å; G88-A90 PolarHBondContact O-N 2.98Å; G88-K91 WeakPolarHBondContact O-CA 3.27Å; G88-K91 WeakPolarHBondContact O-CB 3.42Å; G88-K91 PolarHBondContact O-N 3.43Å; G88-K91 VanDerWaalsContact O-N 3.08Å; G88-G92 PolarHBondContact O-N 2.96Å
89	T	92.4	Very high	93.5	Very high	55 Å²	55	37.2 Å²	37.2	34%	0.337	21%	0.21	S	C	.	.	H	α-helix	trans	-57.5	-48.9	-177.8	-47.5	0	0	0	0	112.9	S85 K91 G92 F93 L179	S85-T89 PolarHBondContact OG-N 3.36Å; T89-K91 VanDerWaalsContact C-N 3.27Å; T89-K91 PolarHBondContact O-N 2.91Å; T89-G92 PolarHBondContact O-N 3.1Å; T89-G92 VanDerWaalsContact O-N 3.17Å; T89-F93 HydrophobicContact CG2-CE1 4.28Å; T89-F93 HydrophobicContact CG2-CE2 4.01Å; T89-F93 HydrophobicContact CG2-CZ 3.87Å; T89-F93 PolarHBondContact O-N 3.37Å; T89-L179 HydrophobicContact CG2-CD2 3.71Å
90	A	93.9	Very high	93.5	Very high	0 Å²	0	38 Å²	38	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-31.1	178	0	0	0	0	0	112.5	G84 S85 G88 A94 L135 L179	G84-A90 WeakPolarHBondContact O-CB 3.14Å; S85-A90 PolarHBondContact OG-N 2.93Å; G88-A90 PolarHBondContact O-N 2.98Å; A90-A94 WeakPolarHBondContact O-CB 3.48Å; A90-A94 PolarHBondContact O-N 3.46Å; A90-L135 HydrophobicContact CB-CB 4.5Å; A90-L179 HydrophobicContact CB-CD1 3.89Å; A90-L179 HydrophobicContact CB-CD2 4.07Å
91	K	94.6	Very high	93.5	Very high	110 Å²	110	35.6 Å²	35.6	48%	0.478	21%	0.206	S	C	.	.	H	α-helix	trans	-67	-44.1	172.7	-177.8	-177.8	178.6	-178	0	110.8	Y83 G88 T89 F93 A94 T95	Y83-K91 HydrophobicContact CD2-CB 3.9Å; Y83-K91 HydrophobicContact CD2-CG 4.41Å; Y83-K91 HydrophobicContact CE1-CG 4.16Å; Y83-K91 HydrophobicContact CE2-CB 3.83Å; Y83-K91 HydrophobicContact CE2-CD 4.22Å; Y83-K91 HydrophobicContact CE2-CG 3.97Å; Y83-K91 HydrophobicContact CG-CB 4.36Å; G88-K91 WeakPolarHBondContact O-CA 3.27Å; G88-K91 WeakPolarHBondContact O-CB 3.42Å; G88-K91 PolarHBondContact O-N 3.43Å; G88-K91 VanDerWaalsContact O-N 3.08Å; T89-K91 VanDerWaalsContact C-N 3.27Å; T89-K91 PolarHBondContact O-N 2.91Å; K91-F93 PolarHBondContact O-N 3.24Å; K91-A94 WeakPolarHBondContact O-CB 3.44Å; K91-A94 PolarHBondContact O-N 3.36Å; K91-A94 VanDerWaalsContact O-N 3.15Å; K91-T95 PolarHBondContact O-N 2.82Å; K91-T95 VanDerWaalsContact O-N 3.08Å; K91-T95 PolarHBondContact O-OG1 3.18Å
92	G	94.4	Very high	93.3	Very high	34 Å²	34	41 Å²	41	35%	0.351	23%	0.233	S	C	.	.	H	α-helix	trans	-59.6	-44.7	174.7	0	0	0	0	0	112.3	G88 T89 A94 T95 V96	G88-G92 PolarHBondContact O-N 2.96Å; T89-G92 PolarHBondContact O-N 3.1Å; T89-G92 VanDerWaalsContact O-N 3.17Å; G92-A94 VanDerWaalsContact C-N 3.3Å; G92-A94 PolarHBondContact O-N 3.24Å; G92-T95 PolarHBondContact O-N 2.87Å; G92-V96 WeakPolarHBondContact O-CG2 3.47Å; G92-V96 PolarHBondContact O-N 2.96Å
93	F	96.3	Very high	93.1	Very high	18 Å²	18	45.4 Å²	45.4	8%	0.079	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-35.1	174.1	-69.3	-7.8	0	0	0	112.8	T89 K91 V96 L97 L135 F177 L179 I225 E226 F229	T89-F93 HydrophobicContact CG2-CE1 4.28Å; T89-F93 HydrophobicContact CG2-CE2 4.01Å; T89-F93 HydrophobicContact CG2-CZ 3.87Å; T89-F93 PolarHBondContact O-N 3.37Å; K91-F93 PolarHBondContact O-N 3.24Å; F93-V96 PolarHBondContact O-N 3Å; F93-L97 WeakPolarHBondContact O-CB 3.27Å; F93-L97 PolarHBondContact O-N 3.42Å; F93-L135 HydrophobicContact CB-CD1 4.05Å; F93-F177 HydrophobicContact CD2-CE1 4.29Å; F93-F177 HydrophobicContact CE2-CE1 4.25Å; F93-L179 HydrophobicContact CD2-CD2 3.85Å; F93-L179 HydrophobicContact CD2-CG 4.36Å; F93-L179 HydrophobicContact CE2-CD2 3.75Å; F93-L179 HydrophobicContact CE2-CG 4.29Å; F93-I225 HydrophobicContact CE2-CG1 4.11Å; F93-I225 HydrophobicContact CZ-CG1 4.41Å; F93-I225 HydrophobicContact CZ-CG2 4.4Å; F93-E226 HydrophobicContact CE1-CG 4.09Å; F93-E226 HydrophobicContact CZ-CG 4.13Å; F93-F229 HydrophobicContact CB-CD1 4.23Å; F93-F229 HydrophobicContact CB-CD2 4.17Å; F93-F229 HydrophobicContact CB-CE1 3.88Å; F93-F229 HydrophobicContact CB-CE2 3.83Å; F93-F229 HydrophobicContact CB-CG 4.35Å; F93-F229 HydrophobicContact CB-CZ 3.68Å; F93-F229 AromaticContact CD1-CD1 3.7Å; F93-F229 HydrophobicContact CD1-CD1 3.7Å; F93-F229 AromaticContact CD1-CE1 3.96Å; F93-F229 HydrophobicContact CD1-CE1 3.96Å; F93-F229 HydrophobicContact CD1-CG 4.13Å; F93-F229 HydrophobicContact CD2-CB 4.05Å; F93-F229 HydrophobicContact CD2-CD1 4.17Å; F93-F229 AromaticContact CD2-CD2 3.89Å; F93-F229 HydrophobicContact CD2-CD2 3.89Å; F93-F229 HydrophobicContact CD2-CE2 4.41Å; F93-F229 AromaticContact CD2-CG 3.75Å; F93-F229 HydrophobicContact CD2-CG 3.75Å; F93-F229 HydrophobicContact CE1-CB 4.46Å; F93-F229 HydrophobicContact CE1-CD1 4.06Å; F93-F229 HydrophobicContact CE1-CG 4.37Å; F93-F229 HydrophobicContact CE2-CB 3.8Å; F93-F229 HydrophobicContact CE2-CD1 4.49Å; F93-F229 HydrophobicContact CE2-CD2 4.49Å; F93-F229 HydrophobicContact CE2-CG 4.02Å; F93-F229 HydrophobicContact CG-CB 4.5Å; F93-F229 AromaticContact CG-CD1 3.77Å; F93-F229 HydrophobicContact CG-CD1 3.77Å; F93-F229 HydrophobicContact CG-CD2 4.05Å; F93-F229 AromaticContact CG-CE1 3.93Å; F93-F229 HydrophobicContact CG-CE1 3.93Å; F93-F229 HydrophobicContact CG-CE2 4.21Å; F93-F229 AromaticContact CG-CG 3.83Å; F93-F229 HydrophobicContact CG-CG 3.83Å; F93-F229 HydrophobicContact CG-CZ 4.14Å; F93-F229 HydrophobicContact CZ-CB 4.02Å; F93-F229 HydrophobicContact CZ-CD1 4.44Å; F93-F229 HydrophobicContact CZ-CG 4.32Å; F93-F229 VanDerWaalsContact O-CZ 3.31Å; F93-F229 WeakPolarHBondContact O-CZ 3.29Å
94	A	95.6	Very high	92.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-62	-44	174.1	0	0	0	0	0	111.8	I81 Y83 A90 K91 G92 L97 A98 I110 L135	I81-A94 HydrophobicContact CG2-CB 3.74Å; Y83-A94 HydrophobicContact CD1-CB 4.11Å; Y83-A94 HydrophobicContact CG-CB 4.42Å; A90-A94 WeakPolarHBondContact O-CB 3.48Å; A90-A94 PolarHBondContact O-N 3.46Å; K91-A94 WeakPolarHBondContact O-CB 3.44Å; K91-A94 PolarHBondContact O-N 3.36Å; K91-A94 VanDerWaalsContact O-N 3.15Å; G92-A94 VanDerWaalsContact C-N 3.3Å; G92-A94 PolarHBondContact O-N 3.24Å; A94-L97 PolarHBondContact O-N 3.47Å; A94-A98 WeakPolarHBondContact O-CB 3.35Å; A94-A98 PolarHBondContact O-N 3.16Å; A94-I110 HydrophobicContact CB-CG2 4Å; A94-L135 VanDerWaalsContact CA-CD1 3.46Å; A94-L135 HydrophobicContact CB-CD1 3.86Å
95	T	95.8	Very high	92.4	Very high	58 Å²	58	52.4 Å²	52.4	36%	0.356	30%	0.303	S	S	.	.	H	α-helix	trans	-62.5	-48.1	175.7	-53.1	0	0	0	0	111.7	K91 G92 L97 A98 E99	K91-T95 PolarHBondContact O-N 2.82Å; K91-T95 VanDerWaalsContact O-N 3.08Å; K91-T95 PolarHBondContact O-OG1 3.18Å; G92-T95 PolarHBondContact O-N 2.87Å; T95-L97 VanDerWaalsContact C-N 3.27Å; T95-L97 PolarHBondContact O-N 3.41Å; T95-A98 WeakPolarHBondContact O-CB 3.2Å; T95-A98 PolarHBondContact O-N 2.94Å; T95-A98 VanDerWaalsContact O-N 3.1Å; T95-E99 WeakPolarHBondContact O-CG 3.37Å; T95-E99 PolarHBondContact O-N 3.13Å
96	V	95.9	Very high	92.2	Very high	55 Å²	55	52.2 Å²	52.2	33%	0.333	30%	0.3	S	S	.	.	H	α-helix	trans	-62.4	-34.7	178.9	171.8	0	0	0	0	112.2	G92 F93 A100 F229 K233	G92-V96 WeakPolarHBondContact O-CG2 3.47Å; G92-V96 PolarHBondContact O-N 2.96Å; F93-V96 PolarHBondContact O-N 3Å; V96-A100 PolarHBondContact O-N 2.75Å; V96-F229 HydrophobicContact CB-CE1 4.25Å; V96-F229 HydrophobicContact CG1-CE1 3.97Å; V96-K233 HydrophobicContact CG1-CD 4.2Å
97	L	94.9	Very high	92.3	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-72.4	-40.3	174.2	-178.9	62.4	0	0	0	111.4	I81 F93 A94 T95 E99 A100 V101 V133 F229 W232 K233 F236 I237	I81-L97 HydrophobicContact CD1-CB 3.97Å; I81-L97 HydrophobicContact CD1-CD2 3.84Å; I81-L97 HydrophobicContact CD1-CG 3.7Å; I81-L97 HydrophobicContact CG1-CD2 4.1Å; I81-L97 HydrophobicContact CG1-CG 4.48Å; I81-L97 HydrophobicContact CG2-CD2 4.28Å; F93-L97 WeakPolarHBondContact O-CB 3.27Å; F93-L97 PolarHBondContact O-N 3.42Å; A94-L97 PolarHBondContact O-N 3.47Å; T95-L97 VanDerWaalsContact C-N 3.27Å; T95-L97 PolarHBondContact O-N 3.41Å; L97-E99 PolarHBondContact O-N 3.21Å; L97-A100 PolarHBondContact O-N 2.9Å; L97-V101 HydrophobicContact CD1-CG2 4.38Å; L97-V101 HydrophobicContact CG-CG2 4.44Å; L97-V101 WeakPolarHBondContact O-CG2 3.29Å; L97-V101 PolarHBondContact O-N 2.85Å; L97-V133 HydrophobicContact CD2-CB 4.27Å; L97-V133 HydrophobicContact CD2-CG1 3.72Å; L97-V133 HydrophobicContact CD2-CG2 4.34Å; L97-F229 HydrophobicContact CB-CZ 4.16Å; L97-W232 HydrophobicContact CD2-CZ3 4.26Å; L97-K233 HydrophobicContact CD1-CD 4.43Å; L97-K233 HydrophobicContact CD1-CG 3.95Å; L97-F236 HydrophobicContact CD1-CD1 3.83Å; L97-F236 HydrophobicContact CD1-CE1 4.17Å; L97-I237 HydrophobicContact CD1-CD1 4.46Å
98	A	93.8	Very high	92.7	Very high	5 Å²	5	48.7 Å²	48.7	4%	0.041	29%	0.286	C	S	.	.	H	α-helix	trans	-60.6	-45.7	179.2	0	0	0	0	0	111.8	I81 A94 T95 A100 V101 M102 V108 I110	I81-A98 HydrophobicContact CD1-CB 3.9Å; A94-A98 WeakPolarHBondContact O-CB 3.35Å; A94-A98 PolarHBondContact O-N 3.16Å; T95-A98 WeakPolarHBondContact O-CB 3.2Å; T95-A98 PolarHBondContact O-N 2.94Å; T95-A98 VanDerWaalsContact O-N 3.1Å; A98-A100 VanDerWaalsContact C-N 3.3Å; A98-A100 PolarHBondContact O-N 3.33Å; A98-V101 PolarHBondContact O-N 2.95Å; A98-V101 VanDerWaalsContact O-N 3.12Å; A98-M102 WeakPolarHBondContact O-CG 3.4Å; A98-M102 PolarHBondContact O-N 3.49Å; A98-V108 HydrophobicContact CB-CG1 3.99Å; A98-V108 HydrophobicContact CB-CG2 3.96Å; A98-I110 HydrophobicContact CB-CD1 3.61Å; A98-I110 HydrophobicContact CB-CG1 3.8Å
99	E	93.9	Very high	92.8	Very high	122 Å²	122	49.1 Å²	49.1	57%	0.57	29%	0.286	S	S	*	.	H	α-helix	trans	-57	-43.1	174.6	-70.7	170.3	-176.2	0	0	111.9	T95 L97 V101 M102 S103	T95-E99 WeakPolarHBondContact O-CG 3.37Å; T95-E99 PolarHBondContact O-N 3.13Å; L97-E99 PolarHBondContact O-N 3.21Å; E99-V101 VanDerWaalsContact C-N 3.34Å; E99-V101 PolarHBondContact O-N 3.29Å; E99-M102 PolarHBondContact O-N 2.8Å; E99-S103 PolarHBondContact O-N 2.89Å; E99-S103 VanDerWaalsContact O-N 3.09Å
100	A	92.4	Very high	92.9	Very high	18 Å²	18	49.9 Å²	49.9	15%	0.149	29%	0.287	C	S	.	.	H	α-helix	trans	-69	-29.2	178	0	0	0	0	0	113.3	V96 L97 A98 S103 K233 I237	V96-A100 PolarHBondContact O-N 2.75Å; L97-A100 PolarHBondContact O-N 2.9Å; A98-A100 VanDerWaalsContact C-N 3.3Å; A98-A100 PolarHBondContact O-N 3.33Å; A100-S103 PolarHBondContact O-OG 3.11Å; A100-K233 HydrophobicContact CB-CD 4.26Å; A100-I237 HydrophobicContact CB-CD1 3.98Å; A100-I237 HydrophobicContact CB-CG1 4.35Å
101	V	92.3	Very high	92.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-77.3	-38.5	174	172.6	0	0	0	0	110.9	V79 L97 A98 E99 S103 L104 L106 V108 F236 I237 L240	V79-V101 HydrophobicContact CB-CG1 3.91Å; V79-V101 HydrophobicContact CB-CG2 4.47Å; V79-V101 HydrophobicContact CG1-CG2 4.45Å; V79-V101 HydrophobicContact CG2-CG1 3.61Å; V79-V101 HydrophobicContact CG2-CG2 4.25Å; L97-V101 HydrophobicContact CD1-CG2 4.38Å; L97-V101 HydrophobicContact CG-CG2 4.44Å; L97-V101 WeakPolarHBondContact O-CG2 3.29Å; L97-V101 PolarHBondContact O-N 2.85Å; A98-V101 PolarHBondContact O-N 2.95Å; A98-V101 VanDerWaalsContact O-N 3.12Å; E99-V101 VanDerWaalsContact C-N 3.34Å; E99-V101 PolarHBondContact O-N 3.29Å; V101-S103 PolarHBondContact O-N 2.93Å; V101-L104 WeakPolarHBondContact O-CA 3.28Å; V101-L104 WeakPolarHBondContact O-CB 3.37Å; V101-L104 PolarHBondContact O-N 3.01Å; V101-L106 HydrophobicContact CG1-CB 3.85Å; V101-V108 HydrophobicContact CB-CB 4.48Å; V101-V108 HydrophobicContact CB-CG2 4.43Å; V101-V108 HydrophobicContact CG1-CB 4.14Å; V101-V108 HydrophobicContact CG1-CG2 4.37Å; V101-F236 HydrophobicContact CG2-CE1 4.45Å; V101-I237 HydrophobicContact CG2-CD1 4.09Å; V101-L240 HydrophobicContact CG1-CD2 4.31Å; V101-L240 HydrophobicContact CG2-CD2 4.05Å
102	M	91.4	Very high	92.7	Very high	115 Å²	115	47.8 Å²	47.8	57%	0.567	28%	0.281	S	S	*	.	H	α-helix	trans	-60.8	-34.6	174.8	-72.2	175.3	68.1	0	0	111.8	A98 E99 L104 D105 V108	A98-M102 WeakPolarHBondContact O-CG 3.4Å; A98-M102 PolarHBondContact O-N 3.49Å; E99-M102 PolarHBondContact O-N 2.8Å; M102-L104 PolarHBondContact O-N 3.42Å; M102-L104 VanDerWaalsContact O-N 3.11Å; M102-D105 PolarHBondContact O-N 3.43Å; M102-V108 HydrophobicContact CG-CG1 3.44Å; M102-V108 VanDerWaalsContact CG-CG1 3.44Å; M102-V108 HydrophobicContact SD-CG1 3.89Å
103	S	91.4	Very high	92.5	Very high	91 Å²	91	46.2 Å²	46.2	64%	0.636	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-6.4	173	62.5	0	0	0	0	114.8	E99 A100 V101	E99-S103 PolarHBondContact O-N 2.89Å; E99-S103 VanDerWaalsContact O-N 3.09Å; A100-S103 PolarHBondContact O-OG 3.11Å; V101-S103 PolarHBondContact O-N 2.93Å
104	L	88.1	Confident	92	Very high	20 Å²	20	49.5 Å²	49.5	11%	0.105	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	11	172.7	-55.4	176.5	0	0	0	112.8	V101 M102 L106 I237 L240 Q241	V101-L104 WeakPolarHBondContact O-CA 3.28Å; V101-L104 WeakPolarHBondContact O-CB 3.37Å; V101-L104 PolarHBondContact O-N 3.01Å; M102-L104 PolarHBondContact O-N 3.42Å; M102-L104 VanDerWaalsContact O-N 3.11Å; L104-L106 HydrophobicContact CB-CD1 4.4Å; L104-L106 HydrophobicContact CB-CG 4.46Å; L104-L106 PolarHBondContact O-N 2.89Å; L104-I237 HydrophobicContact CD1-CD1 4.05Å; L104-I237 HydrophobicContact CD1-CG2 4.17Å; L104-I237 HydrophobicContact CD2-CG2 4.47Å; L104-L240 HydrophobicContact CD1-CD2 3.9Å; L104-L240 HydrophobicContact CD1-CG 4.37Å; L104-Q241 HydrophobicContact CD1-CG 4.12Å; L104-Q241 HydrophobicContact CD2-CG 3.84Å
105	D	88.2	Confident	91.4	Very high	153 Å²	153	56.5 Å²	56.5	82%	0.818	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	30.1	-176.2	-58.6	-49	0	0	0	113.8	M102	M102-D105 PolarHBondContact O-N 3.43Å
106	L	87.4	Confident	90.8	Very high	13 Å²	13	54.3 Å²	54.3	7%	0.068	30%	0.297	C	S	.	.			trans	-102.7	137.1	175.6	-70.5	173.3	0	0	0	110.8	V76 V101 L104 V108 L240	V76-L106 HydrophobicContact CG1-CD1 4.48Å; V101-L106 HydrophobicContact CG1-CB 3.85Å; L104-L106 HydrophobicContact CB-CD1 4.4Å; L104-L106 HydrophobicContact CB-CG 4.46Å; L104-L106 PolarHBondContact O-N 2.89Å; L106-V108 PolarHBondContact O-N 2.99Å; L106-L240 HydrophobicContact CD1-CD1 4.18Å; L106-L240 HydrophobicContact CD1-CD2 3.78Å; L106-L240 HydrophobicContact CD1-CG 3.85Å
107	P	90.3	Very high	90	Very high	86 Å²	86	51.9 Å²	51.9	56%	0.558	28%	0.282	S	S	*	.			trans	-66.5	133.5	174	28	-32.2	0	0	0	109.5	S77 G78 V79	S77-P107 WeakPolarHBondContact O-CD 3.47Å; S77-P107 WeakPolarHBondContact O-CG 3.43Å; G78-P107 CarbonylContact C-O 3.6Å; G78-P107 VanDerWaalsContact CA-O 3.24Å; G78-P107 WeakPolarHBondContact CA-O 3.48Å; V79-P107 PolarHBondContact N-O 2.86Å
108	V	93.1	Very high	89.2	Confident	39 Å²	39	51.9 Å²	51.9	24%	0.236	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.5	-180	70.9	0	0	0	0	111.2	V79 I81 A98 V101 M102 L106	V79-V108 HydrophobicContact CB-CG2 4.42Å; V79-V108 VanDerWaalsContact O-CA 3.26Å; V79-V108 WeakPolarHBondContact O-CA 3.4Å; I81-V108 HydrophobicContact CD1-CG2 3.58Å; I81-V108 HydrophobicContact CG1-CG2 4.05Å; A98-V108 HydrophobicContact CB-CG1 3.99Å; A98-V108 HydrophobicContact CB-CG2 3.96Å; V101-V108 HydrophobicContact CB-CB 4.48Å; V101-V108 HydrophobicContact CB-CG2 4.43Å; V101-V108 HydrophobicContact CG1-CB 4.14Å; V101-V108 HydrophobicContact CG1-CG2 4.37Å; M102-V108 HydrophobicContact CG-CG1 3.44Å; M102-V108 VanDerWaalsContact CG-CG1 3.44Å; M102-V108 HydrophobicContact SD-CG1 3.89Å; L106-V108 PolarHBondContact O-N 2.99Å
109	A	92.8	Very high	88.1	Confident	39 Å²	39	53.5 Å²	53.5	32%	0.322	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	130.3	170.6	0	0	0	0	0	109.9	V79 K80 I81 I111	V79-A109 PolarHBondContact O-N 2.91Å; K80-A109 HydrophobicContact CG-CB 4.35Å; I81-A109 PolarHBondContact N-O 3.11Å; A109-I111 HydrophobicContact CB-CG1 4.45Å
110	I	94	Very high	86.7	Confident	72 Å²	72	49 Å²	49	37%	0.369	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	125.6	172	-56.9	176.2	0	0	0	108	I81 Y83 A94 A98	I81-I110 CarbonylContact O-C 3.57Å; I81-I110 WeakPolarHBondContact O-CA 3.46Å; Y83-I110 HydrophobicContact CD1-CG2 3.66Å; Y83-I110 HydrophobicContact CE1-CG2 3.64Å; A94-I110 HydrophobicContact CB-CG2 4Å; A98-I110 HydrophobicContact CB-CD1 3.61Å; A98-I110 HydrophobicContact CB-CG1 3.8Å
111	I	92.8	Very high	85.7	Confident	37 Å²	37	51.8 Å²	51.8	19%	0.19	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.9	-173.4	-57.7	173	0	0	0	109.3	K80 I81 F82 Y83 A109 Y116	K80-I111 HydrophobicContact CB-CD1 4.38Å; K80-I111 HydrophobicContact CD-CD1 4.01Å; I81-I111 PolarHBondContact O-N 2.96Å; F82-I111 VanDerWaalsContact CA-O 3.31Å; F82-I111 WeakPolarHBondContact CA-O 3.39Å; F82-I111 HydrophobicContact CD1-CB 3.79Å; F82-I111 HydrophobicContact CD1-CD1 4.31Å; F82-I111 HydrophobicContact CD1-CG2 3.85Å; F82-I111 HydrophobicContact CE1-CB 3.96Å; F82-I111 HydrophobicContact CE1-CD1 3.62Å; F82-I111 HydrophobicContact CE1-CG1 4.37Å; F82-I111 HydrophobicContact CE1-CG2 3.91Å; F82-I111 HydrophobicContact CZ-CD1 3.95Å; Y83-I111 WeakPolarHBondContact CD1-O 3.38Å; Y83-I111 PolarHBondContact N-O 3.09Å; A109-I111 HydrophobicContact CB-CG1 4.45Å; I111-Y116 HydrophobicContact CG2-CD2 3.8Å; I111-Y116 HydrophobicContact CG2-CG 4.16Å
112	N	91.1	Very high	84.7	Confident	28 Å²	28	51.8 Å²	51.8	15%	0.15	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	125.2	171.1	-172.6	-8.3	0	0	0	109.5	Y83 K114 E115 Y116	Y83-N112 HydrophobicContact CE1-CB 4.06Å; Y83-N112 HydrophobicContact CE2-CB 4.2Å; Y83-N112 WeakPolarHBondContact OH-CB 3.34Å; N112-K114 PolarHBondContact O-N 3.03Å; N112-K114 VanDerWaalsContact O-N 3.09Å; N112-K114 WeakPolarHBondContact OD1-CB 3.39Å; N112-K114 PolarHBondContact OD1-N 2.9Å; N112-K114 VanDerWaalsContact OD1-N 3.09Å; N112-E115 PolarHBondContact ND2-OE1 2.88Å; N112-E115 PolarHBondContact O-N 3.3Å; N112-E115 VanDerWaalsContact O-N 3.11Å; N112-Y116 PolarHBondContact O-N 3.45Å
113	L	90.7	Very high	83.5	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-20.2	177.7	-74.9	176.2	0	0	0	113.2	F82 Y83 E115 Y116 V136 S147 A148 F151	F82-L113 HydrophobicContact CB-CD2 3.79Å; F82-L113 HydrophobicContact CB-CG 4.13Å; F82-L113 HydrophobicContact CD1-CD2 4.01Å; F82-L113 HydrophobicContact CG-CD2 4.24Å; Y83-L113 WeakPolarHBondContact O-CB 3.28Å; Y83-L113 WeakPolarHBondContact O-CG 3.1Å; Y83-L113 PolarHBondContact O-N 3.43Å; L113-E115 VanDerWaalsContact C-N 3.32Å; L113-E115 PolarHBondContact O-N 2.74Å; L113-Y116 PolarHBondContact O-N 2.69Å; L113-V136 HydrophobicContact CD1-CG1 3.72Å; L113-S147 CarbonylContact C-O 3.58Å; L113-S147 VanDerWaalsContact CB-O 3.26Å; L113-S147 WeakPolarHBondContact CB-O 3.4Å; L113-A148 HydrophobicContact CB-CB 4.42Å; L113-A148 HydrophobicContact CD1-CB 3.89Å; L113-F151 HydrophobicContact CB-CB 4.37Å; L113-F151 HydrophobicContact CD1-CD1 4Å; L113-F151 HydrophobicContact CD1-CG 4.29Å; L113-F151 HydrophobicContact CD2-CB 4.17Å; L113-F151 HydrophobicContact CD2-CD1 3.95Å; L113-F151 HydrophobicContact CD2-CD2 3.62Å; L113-F151 HydrophobicContact CD2-CE1 4.22Å; L113-F151 HydrophobicContact CD2-CE2 3.96Å; L113-F151 HydrophobicContact CD2-CG 3.64Å; L113-F151 HydrophobicContact CD2-CZ 4.25Å; L113-F151 HydrophobicContact CG-CG 4.43Å
114	K	86.8	Confident	82.4	Confident	87 Å²	87	47 Å²	47	38%	0.378	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-33.3	177.6	-169.4	166.8	177.5	166.2	0	112.4	N112 E146 S147 P464	N112-K114 PolarHBondContact O-N 3.03Å; N112-K114 VanDerWaalsContact O-N 3.09Å; N112-K114 WeakPolarHBondContact OD1-CB 3.39Å; N112-K114 PolarHBondContact OD1-N 2.9Å; N112-K114 VanDerWaalsContact OD1-N 3.09Å; K114-E146 IonicContact NZ-OE1 2.84Å; K114-E146 PolarHBondContact NZ-OE1 3.18Å; K114-S147 WeakPolarHBondContact CA-O 3.39Å; K114-S147 PolarHBondContact N-O 3.06Å; K114-P464 VanDerWaalsContact O-CG 3.27Å; K114-P464 WeakPolarHBondContact O-CG 3.4Å
115	E	82.4	Confident	81.7	Confident	148 Å²	148	46.2 Å²	46.2	69%	0.692	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-5.9	-176.2	-68.9	160.4	-139.9	0	0	111.8	N112 L113	N112-E115 PolarHBondContact ND2-OE1 2.88Å; N112-E115 PolarHBondContact O-N 3.3Å; N112-E115 VanDerWaalsContact O-N 3.11Å; L113-E115 VanDerWaalsContact C-N 3.32Å; L113-E115 PolarHBondContact O-N 2.74Å
116	Y	82.8	Confident	80.9	Confident	12 Å²	12	40.9 Å²	40.9	5%	0.047	22%	0.215	C	C	.	.			trans	-93	125.3	-176.6	-173.1	-102.3	0	0	0	111.4	F82 I111 N112 L113 P118 H121 L122 F151	F82-Y116 HydrophobicContact CD1-CD1 4.47Å; F82-Y116 HydrophobicContact CD1-CD2 4.4Å; F82-Y116 HydrophobicContact CD1-CG 4.32Å; F82-Y116 HydrophobicContact CE1-CD1 4.18Å; F82-Y116 AromaticContact CE1-CD2 3.71Å; F82-Y116 HydrophobicContact CE1-CD2 3.71Å; F82-Y116 HydrophobicContact CE1-CE1 4.05Å; F82-Y116 AromaticContact CE1-CE2 3.54Å; F82-Y116 HydrophobicContact CE1-CE2 3.54Å; F82-Y116 AromaticContact CE1-CG 4Å; F82-Y116 HydrophobicContact CE1-CG 4Å; F82-Y116 AromaticContact CE1-CZ 3.71Å; F82-Y116 HydrophobicContact CZ-CE2 4.13Å; I111-Y116 HydrophobicContact CG2-CD2 3.8Å; I111-Y116 HydrophobicContact CG2-CG 4.16Å; N112-Y116 PolarHBondContact O-N 3.45Å; L113-Y116 PolarHBondContact O-N 2.69Å; Y116-P118 HydrophobicContact CD1-CG 4.31Å; Y116-P118 HydrophobicContact CE1-CB 4.46Å; Y116-P118 HydrophobicContact CE1-CG 4.36Å; Y116-P118 WeakPolarHBondContact O-CD 3.33Å; Y116-H121 HydrophobicContact CD2-CB 4.37Å; Y116-H121 HydrophobicContact CE2-CB 3.4Å; Y116-H121 VanDerWaalsContact CE2-CB 3.4Å; Y116-H121 VanDerWaalsContact OH-C 3.25Å; Y116-H121 WeakPolarHBondContact OH-CB 3.38Å; Y116-L122 HydrophobicContact CE1-CD1 3.82Å; Y116-L122 WeakPolarHBondContact OH-CA 3.45Å; Y116-L122 PolarHBondContact OH-N 2.75Å; Y116-F151 HydrophobicContact CD1-CD2 4.2Å; Y116-F151 HydrophobicContact CD1-CE2 4.27Å; Y116-F151 HydrophobicContact CE1-CE2 4.27Å
117	D	79.1	Confident	79.9	Confident	4 Å²	4	44.5 Å²	44.5	2%	0.021	24%	0.238	C	C	.	.			trans	-100.9	112.8	170.9	-176.2	21.6	0	0	0	111.9	D119 D120 H121 R389 R391 P464	D117-D119 VanDerWaalsContact C-N 3.28Å; D117-D119 PolarHBondContact O-N 3.41Å; D117-D119 PolarHBondContact OD1-N 2.93Å; D117-D120 PolarHBondContact O-N 3.15Å; D117-D120 VanDerWaalsContact OD2-CG 3.3Å; D117-H121 PolarHBondContact O-CD2 3.08Å; D117-H121 PolarHBondContact O-N 3.39Å; D117-R389 VanDerWaalsContact CG-NH2 3.27Å; D117-R389 IonicContact OD1-NH1 3.08Å; D117-R389 IonicContact OD2-CZ 2.76Å; D117-R389 IonicContact OD2-NH1 3.08Å; D117-R389 PolarHBondContact OD2-NH1 3.11Å; D117-R389 IonicContact OD2-NH2 3.02Å; D117-R389 PolarHBondContact OD2-NH2 2.93Å; D117-R391 IonicContact OD2-NH1 3.03Å; D117-R391 IonicContact OD2-NH2 3.52Å; D117-P464 HydrophobicContact CB-CB 4.43Å
118	P	78.8	Confident	79	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-63.4	-31	179.1	-22.8	35	0	0	0	114.1	Y116 D120 L122 F151 W154	Y116-P118 HydrophobicContact CD1-CG 4.31Å; Y116-P118 HydrophobicContact CE1-CB 4.46Å; Y116-P118 HydrophobicContact CE1-CG 4.36Å; Y116-P118 WeakPolarHBondContact O-CD 3.33Å; P118-D120 PolarHBondContact O-N 3.17Å; P118-L122 HydrophobicContact CB-CB 4.4Å; P118-L122 WeakPolarHBondContact O-CB 3.37Å; P118-L122 PolarHBondContact O-N 2.95Å; P118-F151 HydrophobicContact CG-CD2 3.57Å; P118-F151 HydrophobicContact CG-CE2 3.97Å; P118-W154 HydrophobicContact CB-CD2 3.48Å; P118-W154 VanDerWaalsContact CB-CD2 3.48Å; P118-W154 HydrophobicContact CB-CE3 3.36Å; P118-W154 HydrophobicContact CB-CG 4.17Å; P118-W154 HydrophobicContact CB-CH2 3.76Å; P118-W154 HydrophobicContact CB-CZ2 3.85Å; P118-W154 HydrophobicContact CB-CZ3 3.52Å; P118-W154 HydrophobicContact CG-CB 4.43Å; P118-W154 HydrophobicContact CG-CD2 3.88Å; P118-W154 HydrophobicContact CG-CE3 3.82Å; P118-W154 HydrophobicContact CG-CG 4.13Å; P118-W154 HydrophobicContact CG-CZ3 4.4Å
119	D	70.2	Confident	78.3	Confident	39 Å²	39	45.6 Å²	45.6	21%	0.209	24%	0.235	C	C	.	.	H	α-helix	trans	-64.8	-29	-176.5	-91.6	-23.7	0	0	0	112.6	D117 W154	D117-D119 VanDerWaalsContact C-N 3.28Å; D117-D119 PolarHBondContact O-N 3.41Å; D117-D119 PolarHBondContact OD1-N 2.93Å; D119-W154 WeakPolarHBondContact OD1-CZ2 3.21Å; D119-W154 PolarHBondContact OD1-NE1 3.15Å
120	D	65.4	Low	78.1	Confident	28 Å²	28	44.7 Å²	44.7	15%	0.15	23%	0.225	C	C	.	.	H	α-helix	trans	-96.7	-39.8	-175.3	-66.7	-8.3	0	0	0	111.9	D117 P118 R391 H720	D117-D120 PolarHBondContact O-N 3.15Å; D117-D120 VanDerWaalsContact OD2-CG 3.3Å; P118-D120 PolarHBondContact O-N 3.17Å; D120-R391 VanDerWaalsContact CG-NH1 3.32Å; D120-R391 IonicContact OD1-CZ 3.18Å; D120-R391 IonicContact OD1-NH1 3.04Å; D120-R391 PolarHBondContact OD1-NH1 3.4Å; D120-R391 IonicContact OD1-NH2 3.45Å; D120-R391 IonicContact OD2-CZ 3.9Å; D120-R391 VanDerWaalsContact OD2-CZ 3.26Å; D120-R391 IonicContact OD2-NH1 2.74Å; D120-R391 PolarHBondContact OD2-NH1 3.05Å; D120-R391 IonicContact OD2-NH2 2.75Å; D120-R391 PolarHBondContact OD2-NH2 3.08Å; D120-H720 IonicContact OD1-CE1 2.74Å; D120-H720 IonicContact OD1-NE2 3.42Å; D120-H720 PolarHBondContact OD1-NE2 3.28Å; D120-H720 IonicContact OD2-CE1 3.82Å; D120-H720 PolarHBondContact OD2-CE1 2.55Å; D120-H720 IonicContact OD2-NE2 3.9Å
121	H	70.4	Confident	78	Confident	75 Å²	75	41.2 Å²	41.2	35%	0.347	21%	0.207	S	C	.	.	H	α-helix	trans	-110.2	-24.3	-164.7	-63.8	-63.4	0	0	0	114.8	Y116 D117 I123 E124 E125	Y116-H121 HydrophobicContact CD2-CB 4.37Å; Y116-H121 HydrophobicContact CE2-CB 3.4Å; Y116-H121 VanDerWaalsContact CE2-CB 3.4Å; Y116-H121 VanDerWaalsContact OH-C 3.25Å; Y116-H121 WeakPolarHBondContact OH-CB 3.38Å; D117-H121 PolarHBondContact O-CD2 3.08Å; D117-H121 PolarHBondContact O-N 3.39Å; H121-I123 VanDerWaalsContact C-N 3.26Å; H121-I123 PolarHBondContact O-N 3.47Å; H121-E124 IonicContact ND1-OE2 3.08Å; H121-E124 PolarHBondContact ND1-OE2 3.44Å; H121-E124 WeakPolarHBondContact O-CB 3.35Å; H121-E124 PolarHBondContact O-N 2.93Å; H121-E125 PolarHBondContact O-N 3.21Å
122	L	71.6	Confident	78	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-28.5	-172.7	-149.4	84.7	0	0	0	112.3	Y116 P118 E124 E125 F151 W154 L169 M172	Y116-L122 HydrophobicContact CE1-CD1 3.82Å; Y116-L122 WeakPolarHBondContact OH-CA 3.45Å; Y116-L122 PolarHBondContact OH-N 2.75Å; P118-L122 HydrophobicContact CB-CB 4.4Å; P118-L122 WeakPolarHBondContact O-CB 3.37Å; P118-L122 PolarHBondContact O-N 2.95Å; L122-E124 VanDerWaalsContact C-N 3.35Å; L122-E125 PolarHBondContact O-N 3.21Å; L122-F151 HydrophobicContact CD1-CE2 4.29Å; L122-W154 HydrophobicContact CD2-CH2 3.94Å; L122-W154 HydrophobicContact CD2-CZ3 3.76Å; L122-L169 HydrophobicContact CD2-CD1 3.65Å; L122-L169 HydrophobicContact CD2-CD2 3.74Å; L122-L169 HydrophobicContact CD2-CG 4.34Å; L122-L169 HydrophobicContact CG-CD2 4.19Å; L122-M172 HydrophobicContact CG-SD 4.31Å
123	I	66.8	Low	78.3	Confident	51 Å²	51	38.2 Å²	38.2	26%	0.262	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-35.4	174	-59	174.3	0	0	0	111	H121 E125 V126 Y168	H121-I123 VanDerWaalsContact C-N 3.26Å; H121-I123 PolarHBondContact O-N 3.47Å; I123-E125 PolarHBondContact O-N 3.43Å; I123-V126 VanDerWaalsContact O-CB 3.3Å; I123-V126 WeakPolarHBondContact O-CB 3.49Å; I123-V126 PolarHBondContact O-N 2.96Å; I123-Y168 HydrophobicContact CD1-CE2 4.4Å; I123-Y168 WeakPolarHBondContact CD1-OH 3.31Å; I123-Y168 HydrophobicContact CG1-CE2 4.46Å; I123-Y168 WeakPolarHBondContact CG1-OH 3.42Å
124	E	68	Low	78.5	Confident	55 Å²	55	38.1 Å²	38.1	26%	0.257	19%	0.191	S	C	.	.	H	α-helix	trans	-60.2	-34.5	177.6	-57.5	-179.4	153.8	0	0	110.2	H121 L122 V126 T127 S128	H121-E124 IonicContact ND1-OE2 3.08Å; H121-E124 PolarHBondContact ND1-OE2 3.44Å; H121-E124 WeakPolarHBondContact O-CB 3.35Å; H121-E124 PolarHBondContact O-N 2.93Å; L122-E124 VanDerWaalsContact C-N 3.35Å; E124-V126 VanDerWaalsContact C-N 3.28Å; E124-V126 PolarHBondContact O-N 3.33Å; E124-T127 PolarHBondContact O-N 2.96Å; E124-T127 VanDerWaalsContact O-N 3.15Å; E124-T127 PolarHBondContact O-OG1 3.34Å; E124-S128 WeakPolarHBondContact O-CB 3.46Å; E124-S128 PolarHBondContact O-N 2.94Å
125	E	73.3	Confident	79	Confident	3 Å²	3	34 Å²	34	1%	0.014	17%	0.173	C	C	.	.	H	α-helix	trans	-69.9	-19.8	176.8	-55	-45.8	147	0	0	115.1	K80 H121 L122 I123 T127 S128 N130 M172	K80-E125 VanDerWaalsContact CD-OE1 3.22Å; K80-E125 WeakPolarHBondContact CD-OE1 3.19Å; K80-E125 VanDerWaalsContact CE-OE1 3.26Å; K80-E125 WeakPolarHBondContact CE-OE1 3.42Å; K80-E125 IonicContact NZ-OE1 3.98Å; K80-E125 PolarHBondContact NZ-OE1 3.05Å; K80-E125 IonicContact NZ-OE2 3.82Å; H121-E125 PolarHBondContact O-N 3.21Å; L122-E125 PolarHBondContact O-N 3.21Å; I123-E125 PolarHBondContact O-N 3.43Å; E125-T127 VanDerWaalsContact C-N 3.25Å; E125-S128 WeakPolarHBondContact CA-OG 3.29Å; E125-S128 PolarHBondContact O-OG 3.46Å; E125-S128 PolarHBondContact OE2-OG 3.4Å; E125-N130 PolarHBondContact OE2-ND2 3.07Å; E125-M172 HydrophobicContact CB-CG 4.28Å; E125-M172 HydrophobicContact CB-SD 4.38Å
126	V	70.6	Confident	79.7	Confident	41 Å²	41	27 Å²	27	25%	0.248	14%	0.14	C	C	.	.	H	α-helix	trans	-68.5	-32.5	173.2	-178.5	0	0	0	0	110.3	I123 E124 L169 M172	I123-V126 VanDerWaalsContact O-CB 3.3Å; I123-V126 WeakPolarHBondContact O-CB 3.49Å; I123-V126 PolarHBondContact O-N 2.96Å; E124-V126 VanDerWaalsContact C-N 3.28Å; E124-V126 PolarHBondContact O-N 3.33Å; V126-L169 HydrophobicContact CG2-CD2 3.91Å; V126-M172 HydrophobicContact CG2-CB 4.39Å
127	T	68.1	Low	80.2	Confident	89 Å²	89	27.1 Å²	27.1	55%	0.546	14%	0.144	S	C	.	.	H	α-helix	trans	-98.8	-23.4	-176.3	51.1	0	0	0	0	114.3	E124 E125 K129 N724	E124-T127 PolarHBondContact O-N 2.96Å; E124-T127 VanDerWaalsContact O-N 3.15Å; E124-T127 PolarHBondContact O-OG1 3.34Å; E125-T127 VanDerWaalsContact C-N 3.25Å; T127-K129 PolarHBondContact O-N 3.22Å; T127-K129 VanDerWaalsContact O-N 3.1Å; T127-N724 PolarHBondContact OG1-ND2 3.22Å
128	S	69.8	Low	80.9	Confident	32 Å²	32	28.2 Å²	28.2	22%	0.224	15%	0.151	C	C	.	.	S	Bend	trans	-72	-4.9	-168.8	65.7	0	0	0	0	114.7	S77 E124 E125 N130	S77-S128 VanDerWaalsContact CB-O 3.29Å; S77-S128 WeakPolarHBondContact CB-O 2.77Å; S77-S128 PolarHBondContact OG-O 3.41Å; E124-S128 WeakPolarHBondContact O-CB 3.46Å; E124-S128 PolarHBondContact O-N 2.94Å; E125-S128 WeakPolarHBondContact CA-OG 3.29Å; E125-S128 PolarHBondContact O-OG 3.46Å; E125-S128 PolarHBondContact OE2-OG 3.4Å; S128-N130 VanDerWaalsContact CB-ND2 3.32Å; S128-N130 WeakPolarHBondContact CB-ND2 3.33Å; S128-N130 PolarHBondContact O-N 3.11Å; S128-N130 PolarHBondContact O-OD1 2.83Å; S128-N130 VanDerWaalsContact OG-CB 3.3Å; S128-N130 WeakPolarHBondContact OG-CB 3.28Å; S128-N130 VanDerWaalsContact OG-CG 3.22Å; S128-N130 PolarHBondContact OG-N 3.26Å; S128-N130 PolarHBondContact OG-ND2 3.43Å
129	K	79.9	Confident	81.3	Confident	116 Å²	116	33.5 Å²	33.5	50%	0.504	17%	0.172	S	C	.	.			trans	48.4	24.2	-168.6	-73.7	178.7	179.7	-177.9	0	111.9	I74 S77 T127 R173	I74-K129 WeakPolarHBondContact O-CD 3.24Å; I74-K129 PolarHBondContact O-NZ 2.84Å; S77-K129 PolarHBondContact N-O 3.41Å; S77-K129 WeakPolarHBondContact OG-CB 3.29Å; T127-K129 PolarHBondContact O-N 3.22Å; T127-K129 VanDerWaalsContact O-N 3.1Å; K129-R173 PolarHBondContact O-NH2 3.23Å
130	N	87.9	Confident	82	Confident	20 Å²	20	35.6 Å²	35.6	11%	0.107	19%	0.186	C	C	.	.			trans	-77.6	164.9	173.4	-68.1	-26.3	0	0	0	111.1	G78 K80 E125 S128	G78-N130 PolarHBondContact N-OD1 3.2Å; G78-N130 VanDerWaalsContact O-CA 3.31Å; G78-N130 WeakPolarHBondContact O-CA 3.33Å; K80-N130 WeakPolarHBondContact CE-ND2 3.46Å; E125-N130 PolarHBondContact OE2-ND2 3.07Å; S128-N130 VanDerWaalsContact CB-ND2 3.32Å; S128-N130 WeakPolarHBondContact CB-ND2 3.33Å; S128-N130 PolarHBondContact O-N 3.11Å; S128-N130 PolarHBondContact O-OD1 2.83Å; S128-N130 VanDerWaalsContact OG-CB 3.3Å; S128-N130 WeakPolarHBondContact OG-CB 3.28Å; S128-N130 VanDerWaalsContact OG-CG 3.22Å; S128-N130 PolarHBondContact OG-N 3.26Å; S128-N130 PolarHBondContact OG-ND2 3.43Å
131	V	91.4	Very high	82.9	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122	164.1	178.2	0	0	0	0	108.7	V76 G78 V79 K80 R173 V207 F236 L240 L243	V76-V131 HydrophobicContact CG1-CG2 4.16Å; G78-V131 PolarHBondContact O-N 3.32Å; V79-V131 WeakPolarHBondContact CA-O 3.46Å; V79-V131 WeakPolarHBondContact CG1-O 3.36Å; K80-V131 PolarHBondContact N-O 2.81Å; V131-R173 HydrophobicContact CG2-CB 4.37Å; V131-V207 HydrophobicContact CG1-CG2 3.96Å; V131-F236 HydrophobicContact CG1-CE2 4.04Å; V131-F236 HydrophobicContact CG1-CZ 4.01Å; V131-L240 HydrophobicContact CG2-CD1 4.15Å; V131-L243 HydrophobicContact CG2-CD1 4.47Å
132	C	93.8	Very high	83.7	Confident	1 Å²	1	36.6 Å²	36.6	1%	0.007	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	120.7	179.7	-64.2	0	0	0	0	110.7	K80 F82 F134 R173 Y174 A175	K80-C132 CarbonylContact O-C 3.5Å; K80-C132 WeakPolarHBondContact O-CA 3.29Å; F82-C132 HydrophobicContact CD2-CB 4.36Å; F82-C132 HydrophobicContact CE2-CB 3.87Å; C132-F134 HydrophobicContact CB-CE2 3.83Å; C132-F134 HydrophobicContact CB-CZ 4.13Å; C132-R173 PolarHBondContact N-O 2.88Å; C132-Y174 CarbonylContact O-C 3.23Å; C132-Y174 WeakPolarHBondContact O-CA 3.47Å; C132-Y174 WeakPolarHBondContact O-CB 3.49Å; C132-A175 PolarHBondContact O-N 2.9Å
133	V	96	Very high	84.5	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.1	177.9	-178	0	0	0	0	109.6	V79 K80 I81 F82 L97 L135 A175 W232 F236	V79-V133 HydrophobicContact CG1-CG2 3.87Å; K80-V133 PolarHBondContact O-N 3.34Å; I81-V133 CarbonylContact C-O 3.57Å; I81-V133 WeakPolarHBondContact CA-O 3.11Å; I81-V133 HydrophobicContact CG1-CB 4.35Å; I81-V133 HydrophobicContact CG2-CB 4.5Å; F82-V133 PolarHBondContact N-O 3.45Å; L97-V133 HydrophobicContact CD2-CB 4.27Å; L97-V133 HydrophobicContact CD2-CG1 3.72Å; L97-V133 HydrophobicContact CD2-CG2 4.34Å; V133-L135 HydrophobicContact CG1-CD2 3.88Å; V133-L135 HydrophobicContact CG1-CG 4.27Å; V133-A175 CarbonylContact C-O 3.6Å; V133-A175 WeakPolarHBondContact CA-O 3.16Å; V133-W232 HydrophobicContact CG1-CH2 3.7Å; V133-F236 HydrophobicContact CG2-CE1 3.95Å; V133-F236 HydrophobicContact CG2-CE2 3.72Å; V133-F236 HydrophobicContact CG2-CZ 3.3Å
134	F	96.6	Very high	85.7	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	114.2	178.1	-60.1	-88.4	0	0	0	110.6	F82 C132 F151 M172 A175 V176 F177 V195 L199	F82-F134 HydrophobicContact CB-CD1 3.63Å; F82-F134 HydrophobicContact CB-CE1 3.92Å; F82-F134 HydrophobicContact CB-CG 4.44Å; F82-F134 HydrophobicContact CD1-CE1 4.5Å; F82-F134 HydrophobicContact CD2-CD1 4Å; F82-F134 AromaticContact CD2-CE1 3.6Å; F82-F134 HydrophobicContact CD2-CE1 3.6Å; F82-F134 AromaticContact CD2-CZ 3.91Å; F82-F134 HydrophobicContact CD2-CZ 3.91Å; F82-F134 HydrophobicContact CE2-CE1 4.26Å; F82-F134 HydrophobicContact CE2-CZ 4.23Å; F82-F134 AromaticContact CG-CD1 3.99Å; F82-F134 HydrophobicContact CG-CD1 3.99Å; F82-F134 AromaticContact CG-CE1 3.74Å; F82-F134 HydrophobicContact CG-CE1 3.74Å; F82-F134 HydrophobicContact CG-CZ 4.49Å; F82-F134 WeakPolarHBondContact O-CA 3.2Å; C132-F134 HydrophobicContact CB-CE2 3.83Å; C132-F134 HydrophobicContact CB-CZ 4.13Å; F134-F151 HydrophobicContact CD1-CE1 4.02Å; F134-F151 AromaticContact CD1-CZ 3.92Å; F134-F151 HydrophobicContact CD1-CZ 3.92Å; F134-F151 AromaticContact CE1-CE1 3.94Å; F134-F151 HydrophobicContact CE1-CE1 3.94Å; F134-F151 HydrophobicContact CE1-CE2 4.11Å; F134-F151 AromaticContact CE1-CZ 3.36Å; F134-F151 HydrophobicContact CE1-CZ 3.36Å; F134-F151 HydrophobicContact CZ-CZ 4.11Å; F134-M172 HydrophobicContact CE2-CE 4.32Å; F134-A175 PolarHBondContact N-O 3.32Å; F134-V176 HydrophobicContact CB-CG1 4.48Å; F134-V176 HydrophobicContact CB-CG2 4.28Å; F134-V176 HydrophobicContact CD2-CG2 4.38Å; F134-V176 WeakPolarHBondContact O-CA 3.44Å; F134-F177 PolarHBondContact O-N 3.11Å; F134-V195 HydrophobicContact CB-CG1 4.4Å; F134-V195 HydrophobicContact CG-CG1 4.37Å; F134-L199 HydrophobicContact CD2-CD1 3.75Å; F134-L199 HydrophobicContact CE2-CD1 3.52Å; F134-L199 HydrophobicContact CZ-CD1 4.13Å
135	L	96.8	Very high	86.8	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	98.1	175.5	-53.3	-177.4	0	0	0	108.9	I81 F82 Y83 G84 A90 F93 A94 V133 F177 F229 W232	I81-L135 HydrophobicContact CG2-CD1 3.86Å; I81-L135 HydrophobicContact CG2-CG 4.18Å; F82-L135 PolarHBondContact O-N 3.45Å; Y83-L135 CarbonylContact C-O 3.58Å; Y83-L135 VanDerWaalsContact CA-O 3.26Å; Y83-L135 WeakPolarHBondContact CA-O 3.46Å; G84-L135 PolarHBondContact N-O 3.43Å; A90-L135 HydrophobicContact CB-CB 4.5Å; F93-L135 HydrophobicContact CB-CD1 4.05Å; A94-L135 VanDerWaalsContact CA-CD1 3.46Å; A94-L135 HydrophobicContact CB-CD1 3.86Å; V133-L135 HydrophobicContact CG1-CD2 3.88Å; V133-L135 HydrophobicContact CG1-CG 4.27Å; L135-F177 WeakPolarHBondContact CA-O 3.31Å; L135-F177 HydrophobicContact CD2-CB 3.54Å; L135-F177 HydrophobicContact CD2-CG 4.38Å; L135-F229 HydrophobicContact CD2-CE2 4.39Å; L135-W232 HydrophobicContact CD2-CH2 4.33Å; L135-W232 HydrophobicContact CD2-CZ3 4.24Å
136	V	96.3	Very high	87.5	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.9	-168.6	-69	0	0	0	0	112.3	L113 V176 F177 G178 L179 V191 V195	L113-V136 HydrophobicContact CD1-CG1 3.72Å; V136-V176 HydrophobicContact CG2-CG1 4.37Å; V136-F177 PolarHBondContact N-O 3.33Å; V136-G178 WeakPolarHBondContact O-CA 3.35Å; V136-L179 PolarHBondContact O-N 3.17Å; V136-V191 HydrophobicContact CB-CG1 4.21Å; V136-V191 HydrophobicContact CG2-CG1 4.21Å; V136-V195 HydrophobicContact CG2-CG2 4.46Å
137	A	94.3	Very high	88.4	Confident	16 Å²	16	44.5 Å²	44.5	13%	0.132	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	142.9	175.2	0	0	0	0	0	112.2	G84 T145 L179	G84-A137 PolarHBondContact O-N 3.06Å; A137-T145 HydrophobicContact CB-CG2 3.77Å; A137-L179 HydrophobicContact CB-CB 4.07Å
138	T	92.3	Very high	89.5	Confident	27 Å²	27	40.3 Å²	40.3	17%	0.166	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-90.2	127.8	167	-55.7	0	0	0	0	109	L179 K190 V191	T138-L179 PolarHBondContact N-O 2.93Å; T138-K190 HydrophobicContact CG2-CB 4.31Å; T138-K190 PolarHBondContact OG1-N 3.4Å; T138-V191 HydrophobicContact CG2-CG2 3.99Å; T138-V191 PolarHBondContact OG1-N 3.35Å
139	Y	88.9	Confident	90.4	Very high	110 Å²	110	44 Å²	44	43%	0.431	22%	0.215	S	C	.	.			trans	-108.1	-169.5	178.7	-154	-118.9	0	0	0	111.1	Q86 D141 G142 R143	Q86-Y139 HydrophobicContact CB-CD2 4.05Å; Q86-Y139 HydrophobicContact CB-CE2 3.94Å; Q86-Y139 HydrophobicContact CG-CD2 4.18Å; Q86-Y139 HydrophobicContact CG-CE1 4.38Å; Q86-Y139 HydrophobicContact CG-CE2 3.68Å; Y139-D141 PolarHBondContact O-N 2.91Å; Y139-G142 PolarHBondContact O-N 3.17Å; Y139-R143 WeakPolarHBondContact CA-O 3.27Å; Y139-R143 PolarHBondContact N-O 3.31Å; Y139-R143 PolarHBondContact O-N 3.13Å
140	T	83.8	Confident	90.7	Very high	83 Å²	83	40 Å²	40	51%	0.509	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-41.2	133.2	-175.5	53.7	0	0	0	0	113.3	G142 R143	T140-G142 PolarHBondContact O-N 3.05Å; T140-G142 VanDerWaalsContact O-N 3.14Å; T140-R143 WeakPolarHBondContact O-CB 3.24Å; T140-R143 WeakPolarHBondContact O-CG 3.46Å; T140-R143 PolarHBondContact O-N 3.07Å; T140-R143 VanDerWaalsContact O-N 3.12Å
141	D	84.5	Confident	90.9	Very high	117 Å²	117	39 Å²	39	63%	0.626	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	54.7	27	-179.6	-54.3	-34.9	0	0	0	115.2	Y139 R143	Y139-D141 PolarHBondContact O-N 2.91Å; D141-R143 VanDerWaalsContact C-N 3.3Å; D141-R143 PolarHBondContact O-N 3.2Å
142	G	86.4	Confident	90.8	Very high	8 Å²	8	39.3 Å²	39.3	8%	0.082	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	76.2	17.1	179.1	0	0	0	0	0	114.3	Y139 T140	Y139-G142 PolarHBondContact O-N 3.17Å; T140-G142 PolarHBondContact O-N 3.05Å; T140-G142 VanDerWaalsContact O-N 3.14Å
143	R	89.6	Confident	90.5	Very high	160 Å²	160	41.3 Å²	41.3	60%	0.604	20%	0.202	S	C	*	.	P	Polyproline II helix	trans	-82.3	155.5	177.3	-64	-173.1	-176.7	-166.9	2.7	111.6	Y139 T140 D141 V191	Y139-R143 WeakPolarHBondContact CA-O 3.27Å; Y139-R143 PolarHBondContact N-O 3.31Å; Y139-R143 PolarHBondContact O-N 3.13Å; T140-R143 WeakPolarHBondContact O-CB 3.24Å; T140-R143 WeakPolarHBondContact O-CG 3.46Å; T140-R143 PolarHBondContact O-N 3.07Å; T140-R143 VanDerWaalsContact O-N 3.12Å; D141-R143 VanDerWaalsContact C-N 3.3Å; D141-R143 PolarHBondContact O-N 3.2Å; R143-V191 WeakPolarHBondContact O-CG2 3.46Å
144	P	92.4	Very high	90.1	Very high	34 Å²	34	41.9 Å²	41.9	22%	0.221	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-62.1	158.4	169	28	-35.3	0	0	0	111.9	A148 E149 C152 V191	P144-A148 HydrophobicContact CB-CB 4.32Å; P144-E149 HydrophobicContact CG-CB 4.21Å; P144-E149 HydrophobicContact CG-CG 4.32Å; P144-C152 HydrophobicContact CB-CB 4.17Å; P144-C152 HydrophobicContact CG-CB 4.12Å; P144-V191 HydrophobicContact CB-CG1 4.14Å; P144-V191 HydrophobicContact CB-CG2 4.24Å
145	T	91	Very high	89.7	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-64.3	158	166.9	56.7	0	0	0	0	110.5	G84 S85 Q86 A137 S147 A148 E149	G84-T145 VanDerWaalsContact C-OG1 3.29Å; S85-T145 PolarHBondContact N-OG1 3.23Å; Q86-T145 HydrophobicContact CB-CG2 3.9Å; A137-T145 HydrophobicContact CB-CG2 3.77Å; T145-S147 PolarHBondContact O-N 3.3Å; T145-S147 VanDerWaalsContact O-N 3.12Å; T145-S147 PolarHBondContact OG1-OG 3.08Å; T145-S147 VanDerWaalsContact OG1-OG 3.09Å; T145-A148 CarbonylContact O-C 3.55Å; T145-A148 PolarHBondContact O-N 2.97Å; T145-E149 PolarHBondContact O-N 3.06Å
146	E	87.5	Confident	89.3	Confident	110 Å²	110	46.4 Å²	46.4	51%	0.514	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-53.6	-38.9	178.8	-170.5	-161.5	138.9	0	0	111.5	K114 A148	K114-E146 IonicContact NZ-OE1 2.84Å; K114-E146 PolarHBondContact NZ-OE1 3.18Å; E146-A148 VanDerWaalsContact C-N 3.25Å; E146-A148 PolarHBondContact O-N 3.43Å
147	S	89.2	Confident	88.6	Confident	12 Å²	12	49.5 Å²	49.5	8%	0.084	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-68.3	-15	177.3	52.8	0	0	0	0	115.2	S85 L113 K114 T145	S85-S147 PolarHBondContact N-OG 2.71Å; S85-S147 PolarHBondContact O-OG 3.42Å; L113-S147 CarbonylContact C-O 3.58Å; L113-S147 VanDerWaalsContact CB-O 3.26Å; L113-S147 WeakPolarHBondContact CB-O 3.4Å; K114-S147 WeakPolarHBondContact CA-O 3.39Å; K114-S147 PolarHBondContact N-O 3.06Å; T145-S147 PolarHBondContact O-N 3.3Å; T145-S147 VanDerWaalsContact O-N 3.12Å; T145-S147 PolarHBondContact OG1-OG 3.08Å; T145-S147 VanDerWaalsContact OG1-OG 3.09Å
148	A	91.1	Very high	88	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-119.5	1.5	-179.8	0	0	0	0	0	113.3	L113 P144 T145 E146 F151 C152	L113-A148 HydrophobicContact CB-CB 4.42Å; L113-A148 HydrophobicContact CD1-CB 3.89Å; P144-A148 HydrophobicContact CB-CB 4.32Å; T145-A148 CarbonylContact O-C 3.55Å; T145-A148 PolarHBondContact O-N 2.97Å; E146-A148 VanDerWaalsContact C-N 3.25Å; E146-A148 PolarHBondContact O-N 3.43Å; A148-F151 PolarHBondContact O-N 3.17Å; A148-C152 WeakPolarHBondContact O-CB 3.38Å; A148-C152 PolarHBondContact O-N 3.24Å; A148-C152 PolarHBondContact O-SG 3.08Å
149	E	89.2	Confident	87.4	Confident	111 Å²	111	48.4 Å²	48.4	52%	0.519	23%	0.232	S	C	.	.	H	α-helix	trans	-61.6	-51.9	-174	-175.3	173.7	-160.9	0	0	111.8	P144 T145 F151 C152 K153	P144-E149 HydrophobicContact CG-CB 4.21Å; P144-E149 HydrophobicContact CG-CG 4.32Å; T145-E149 PolarHBondContact O-N 3.06Å; E149-F151 PolarHBondContact O-N 2.9Å; E149-C152 PolarHBondContact O-N 3.27Å; E149-K153 WeakPolarHBondContact O-CB 3.5Å; E149-K153 PolarHBondContact O-N 2.94Å
150	W	86.5	Confident	86.8	Confident	30 Å²	30	47.1 Å²	47.1	11%	0.114	23%	0.232	C	C	.	.	H	α-helix	trans	-58.8	-48	177.5	173.3	-113.3	0	0	0	112.2	C152 K153 W154 F460 V463	W150-C152 PolarHBondContact O-N 3.02Å; W150-K153 PolarHBondContact O-N 3.03Å; W150-W154 WeakPolarHBondContact O-CB 3.38Å; W150-W154 PolarHBondContact O-N 3.19Å; W150-F460 HydrophobicContact CH2-CD1 4.22Å; W150-F460 AromaticContact CH2-CE1 3.67Å; W150-F460 HydrophobicContact CH2-CE1 3.67Å; W150-F460 HydrophobicContact CH2-CZ 4.2Å; W150-F460 HydrophobicContact CZ3-CD1 4.32Å; W150-F460 HydrophobicContact CZ3-CE1 4.03Å; W150-F460 HydrophobicContact CZ3-CZ 4.35Å; W150-V463 HydrophobicContact CB-CG2 4.27Å; W150-V463 HydrophobicContact CD2-CB 4.28Å; W150-V463 HydrophobicContact CD2-CG1 3.92Å; W150-V463 HydrophobicContact CD2-CG2 3.4Å; W150-V463 HydrophobicContact CE3-CG1 4.4Å; W150-V463 HydrophobicContact CE3-CG2 3.33Å; W150-V463 HydrophobicContact CG-CG1 4.34Å; W150-V463 HydrophobicContact CG-CG2 3.8Å; W150-V463 HydrophobicContact CH2-CG1 4.27Å; W150-V463 HydrophobicContact CH2-CG2 4.35Å; W150-V463 HydrophobicContact CZ2-CG1 3.77Å; W150-V463 HydrophobicContact CZ2-CG2 4.42Å; W150-V463 HydrophobicContact CZ3-CG2 3.83Å
151	F	90.6	Very high	86	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-59.6	-47.4	-179.2	179.3	-97.3	0	0	0	112.2	L113 Y116 P118 L122 F134 A148 E149 W154 L155 V195	L113-F151 HydrophobicContact CB-CB 4.37Å; L113-F151 HydrophobicContact CD1-CD1 4Å; L113-F151 HydrophobicContact CD1-CG 4.29Å; L113-F151 HydrophobicContact CD2-CB 4.17Å; L113-F151 HydrophobicContact CD2-CD1 3.95Å; L113-F151 HydrophobicContact CD2-CD2 3.62Å; L113-F151 HydrophobicContact CD2-CE1 4.22Å; L113-F151 HydrophobicContact CD2-CE2 3.96Å; L113-F151 HydrophobicContact CD2-CG 3.64Å; L113-F151 HydrophobicContact CD2-CZ 4.25Å; L113-F151 HydrophobicContact CG-CG 4.43Å; Y116-F151 HydrophobicContact CD1-CD2 4.2Å; Y116-F151 HydrophobicContact CD1-CE2 4.27Å; Y116-F151 HydrophobicContact CE1-CE2 4.27Å; P118-F151 HydrophobicContact CG-CD2 3.57Å; P118-F151 HydrophobicContact CG-CE2 3.97Å; L122-F151 HydrophobicContact CD1-CE2 4.29Å; F134-F151 HydrophobicContact CD1-CE1 4.02Å; F134-F151 AromaticContact CD1-CZ 3.92Å; F134-F151 HydrophobicContact CD1-CZ 3.92Å; F134-F151 AromaticContact CE1-CE1 3.94Å; F134-F151 HydrophobicContact CE1-CE1 3.94Å; F134-F151 HydrophobicContact CE1-CE2 4.11Å; F134-F151 AromaticContact CE1-CZ 3.36Å; F134-F151 HydrophobicContact CE1-CZ 3.36Å; F134-F151 HydrophobicContact CZ-CZ 4.11Å; A148-F151 PolarHBondContact O-N 3.17Å; E149-F151 PolarHBondContact O-N 2.9Å; F151-W154 PolarHBondContact O-N 3.07Å; F151-L155 HydrophobicContact CD1-CD1 3.93Å; F151-L155 HydrophobicContact CE1-CD1 3.21Å; F151-L155 HydrophobicContact CE1-CG 4.11Å; F151-L155 HydrophobicContact CE2-CD1 4.37Å; F151-L155 HydrophobicContact CZ-CD1 3.46Å; F151-L155 VanDerWaalsContact CZ-CD1 3.46Å; F151-L155 HydrophobicContact CZ-CG 4.07Å; F151-L155 PolarHBondContact O-N 2.9Å; F151-V195 HydrophobicContact CE1-CG1 4.3Å
152	C	90.3	Very high	84.9	Confident	6 Å²	6	44.3 Å²	44.3	4%	0.041	21%	0.208	C	C	.	.	H	α-helix	trans	-63.2	-44.4	178.5	-68.6	0	0	0	0	111.5	P144 A148 E149 W150 L155 E156 W198	P144-C152 HydrophobicContact CB-CB 4.17Å; P144-C152 HydrophobicContact CG-CB 4.12Å; A148-C152 WeakPolarHBondContact O-CB 3.38Å; A148-C152 PolarHBondContact O-N 3.24Å; A148-C152 PolarHBondContact O-SG 3.08Å; E149-C152 PolarHBondContact O-N 3.27Å; W150-C152 PolarHBondContact O-N 3.02Å; C152-L155 PolarHBondContact O-N 2.8Å; C152-E156 PolarHBondContact O-N 3.13Å; C152-W198 HydrophobicContact CB-CZ3 4.12Å; C152-W198 WeakPolarHBondContact O-CZ3 3.32Å
153	K	86.9	Confident	83.6	Confident	44 Å²	44	51 Å²	51	19%	0.191	23%	0.231	C	C	.	.	H	α-helix	trans	-61.8	-44.2	177.9	-175.2	170.5	-171.8	-77.5	0	111.9	E149 W150 E156 E157 Q459	E149-K153 WeakPolarHBondContact O-CB 3.5Å; E149-K153 PolarHBondContact O-N 2.94Å; W150-K153 PolarHBondContact O-N 3.03Å; K153-E156 PolarHBondContact O-N 3.12Å; K153-E157 IonicContact NZ-OE1 3.98Å; K153-E157 PolarHBondContact NZ-OE1 2.76Å; K153-E157 WeakPolarHBondContact O-CG 3.38Å; K153-E157 PolarHBondContact O-N 3.29Å; K153-Q459 VanDerWaalsContact CE-CD 3.41Å
154	W	88	Confident	82.4	Confident	11 Å²	11	45.3 Å²	45.3	4%	0.042	21%	0.211	C	C	.	.	H	α-helix	trans	-62.3	-45.1	176.8	-179.2	96.7	0	0	0	111.7	P118 D119 L122 W150 F151 E156 E157 A158 F164 Y168	P118-W154 HydrophobicContact CB-CD2 3.48Å; P118-W154 VanDerWaalsContact CB-CD2 3.48Å; P118-W154 HydrophobicContact CB-CE3 3.36Å; P118-W154 HydrophobicContact CB-CG 4.17Å; P118-W154 HydrophobicContact CB-CH2 3.76Å; P118-W154 HydrophobicContact CB-CZ2 3.85Å; P118-W154 HydrophobicContact CB-CZ3 3.52Å; P118-W154 HydrophobicContact CG-CB 4.43Å; P118-W154 HydrophobicContact CG-CD2 3.88Å; P118-W154 HydrophobicContact CG-CE3 3.82Å; P118-W154 HydrophobicContact CG-CG 4.13Å; P118-W154 HydrophobicContact CG-CZ3 4.4Å; D119-W154 WeakPolarHBondContact OD1-CZ2 3.21Å; D119-W154 PolarHBondContact OD1-NE1 3.15Å; L122-W154 HydrophobicContact CD2-CH2 3.94Å; L122-W154 HydrophobicContact CD2-CZ3 3.76Å; W150-W154 WeakPolarHBondContact O-CB 3.38Å; W150-W154 PolarHBondContact O-N 3.19Å; F151-W154 PolarHBondContact O-N 3.07Å; W154-E156 VanDerWaalsContact C-N 3.33Å; W154-E156 PolarHBondContact O-N 3.23Å; W154-E157 PolarHBondContact O-N 3.45Å; W154-A158 HydrophobicContact CD2-CB 4.43Å; W154-A158 HydrophobicContact CE3-CB 4.31Å; W154-A158 HydrophobicContact CH2-CB 4.17Å; W154-A158 HydrophobicContact CZ2-CB 4.31Å; W154-A158 HydrophobicContact CZ3-CB 4.17Å; W154-A158 VanDerWaalsContact O-CB 3.28Å; W154-A158 WeakPolarHBondContact O-CB 3.34Å; W154-A158 PolarHBondContact O-N 2.96Å; W154-F164 HydrophobicContact CZ2-CE1 4.17Å; W154-F164 HydrophobicContact CZ2-CZ 4.36Å; W154-Y168 HydrophobicContact CH2-CE1 4.18Å
155	L	88.8	Confident	81.1	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-40.5	178.6	-88.4	179.1	0	0	0	112.4	F151 C152 S159 V195 W198 L199 L202	F151-L155 HydrophobicContact CD1-CD1 3.93Å; F151-L155 HydrophobicContact CE1-CD1 3.21Å; F151-L155 HydrophobicContact CE1-CG 4.11Å; F151-L155 HydrophobicContact CE2-CD1 4.37Å; F151-L155 HydrophobicContact CZ-CD1 3.46Å; F151-L155 VanDerWaalsContact CZ-CD1 3.46Å; F151-L155 HydrophobicContact CZ-CG 4.07Å; F151-L155 PolarHBondContact O-N 2.9Å; C152-L155 PolarHBondContact O-N 2.8Å; L155-S159 VanDerWaalsContact O-CB 3.27Å; L155-S159 WeakPolarHBondContact O-CB 3.47Å; L155-S159 PolarHBondContact O-N 2.92Å; L155-S159 PolarHBondContact O-OG 3.38Å; L155-V195 HydrophobicContact CD1-CG1 4.17Å; L155-W198 HydrophobicContact CB-CB 4.17Å; L155-W198 HydrophobicContact CB-CD2 4.47Å; L155-W198 HydrophobicContact CB-CE3 3.93Å; L155-L199 HydrophobicContact CD1-CD2 4.13Å; L155-L199 HydrophobicContact CD1-CG 4.25Å; L155-L199 HydrophobicContact CD2-CD2 3.71Å; L155-L199 HydrophobicContact CD2-CG 4.47Å; L155-L202 HydrophobicContact CD2-CD1 3.83Å
156	E	88.3	Confident	80.3	Confident	95 Å²	95	54.4 Å²	54.4	44%	0.444	26%	0.257	S	S	.	.	H	α-helix	trans	-59.7	-54.9	174.9	-175	170.1	-149.3	0	0	110.7	C152 K153 W154 A158 S159 I160 W198	C152-E156 PolarHBondContact O-N 3.13Å; K153-E156 PolarHBondContact O-N 3.12Å; W154-E156 VanDerWaalsContact C-N 3.33Å; W154-E156 PolarHBondContact O-N 3.23Å; E156-A158 VanDerWaalsContact C-N 3.34Å; E156-A158 PolarHBondContact O-N 3.32Å; E156-S159 PolarHBondContact O-N 3.06Å; E156-S159 PolarHBondContact O-OG 2.89Å; E156-I160 WeakPolarHBondContact O-CG1 3.3Å; E156-I160 PolarHBondContact O-N 3.45Å; E156-W198 HydrophobicContact CB-CD2 4.24Å; E156-W198 HydrophobicContact CB-CE3 4.46Å; E156-W198 HydrophobicContact CB-CH2 3.79Å; E156-W198 HydrophobicContact CB-CZ2 3.54Å; E156-W198 HydrophobicContact CB-CZ3 4.26Å; E156-W198 HydrophobicContact CG-CH2 4.25Å; E156-W198 HydrophobicContact CG-CZ2 3.6Å
157	E	81.5	Confident	79.9	Confident	66 Å²	66	52.8 Å²	52.8	31%	0.308	26%	0.258	S	S	.	.	H	α-helix	trans	-56.9	-44.7	178	-74.5	-178.8	-162	0	0	111.7	K153 W154 S159 I160 D161 K385	K153-E157 IonicContact NZ-OE1 3.98Å; K153-E157 PolarHBondContact NZ-OE1 2.76Å; K153-E157 WeakPolarHBondContact O-CG 3.38Å; K153-E157 PolarHBondContact O-N 3.29Å; W154-E157 PolarHBondContact O-N 3.45Å; E157-S159 PolarHBondContact O-N 3.26Å; E157-I160 VanDerWaalsContact O-CG1 3.27Å; E157-I160 WeakPolarHBondContact O-CG1 3.49Å; E157-I160 PolarHBondContact O-N 2.86Å; E157-D161 WeakPolarHBondContact O-CB 3.43Å; E157-D161 PolarHBondContact O-N 3.25Å; E157-D161 VanDerWaalsContact O-N 3.11Å; E157-K385 IonicContact OE2-NZ 3.55Å; E157-K385 PolarHBondContact OE2-NZ 3.43Å
158	A	81.3	Confident	79.4	Confident	2 Å²	2	54.6 Å²	54.6	2%	0.017	26%	0.263	C	S	.	.	H	α-helix	trans	-66.1	-38.4	179.4	0	0	0	0	0	111.9	W154 E156 I160 D161 F164 L202	W154-A158 HydrophobicContact CD2-CB 4.43Å; W154-A158 HydrophobicContact CE3-CB 4.31Å; W154-A158 HydrophobicContact CH2-CB 4.17Å; W154-A158 HydrophobicContact CZ2-CB 4.31Å; W154-A158 HydrophobicContact CZ3-CB 4.17Å; W154-A158 VanDerWaalsContact O-CB 3.28Å; W154-A158 WeakPolarHBondContact O-CB 3.34Å; W154-A158 PolarHBondContact O-N 2.96Å; E156-A158 VanDerWaalsContact C-N 3.34Å; E156-A158 PolarHBondContact O-N 3.32Å; A158-I160 VanDerWaalsContact C-N 3.26Å; A158-I160 PolarHBondContact O-N 2.86Å; A158-D161 PolarHBondContact O-N 2.78Å; A158-F164 HydrophobicContact CB-CD1 4.31Å; A158-F164 HydrophobicContact CB-CD2 4.02Å; A158-F164 HydrophobicContact CB-CE1 4.39Å; A158-F164 HydrophobicContact CB-CE2 4.09Å; A158-F164 HydrophobicContact CB-CG 4.12Å; A158-F164 HydrophobicContact CB-CZ 4.28Å; A158-F164 WeakPolarHBondContact O-CB 3.36Å; A158-L202 HydrophobicContact CB-CD1 4.31Å
159	S	80.5	Confident	79.2	Confident	17 Å²	17	54.6 Å²	54.6	12%	0.119	26%	0.263	C	S	.	.	H	α-helix	trans	-69.2	-21.3	-178.1	74	0	0	0	0	114.5	L155 E156 E157	L155-S159 VanDerWaalsContact O-CB 3.27Å; L155-S159 WeakPolarHBondContact O-CB 3.47Å; L155-S159 PolarHBondContact O-N 2.92Å; L155-S159 PolarHBondContact O-OG 3.38Å; E156-S159 PolarHBondContact O-N 3.06Å; E156-S159 PolarHBondContact O-OG 2.89Å; E157-S159 PolarHBondContact O-N 3.26Å
160	I	75.2	Confident	78.9	Confident	84 Å²	84	57 Å²	57	43%	0.431	27%	0.272	S	S	.	.	H	α-helix	trans	-104.7	-13.3	-179.3	65.1	-174.2	0	0	0	112.8	E156 E157 A158 K366	E156-I160 WeakPolarHBondContact O-CG1 3.3Å; E156-I160 PolarHBondContact O-N 3.45Å; E157-I160 VanDerWaalsContact O-CG1 3.27Å; E157-I160 WeakPolarHBondContact O-CG1 3.49Å; E157-I160 PolarHBondContact O-N 2.86Å; A158-I160 VanDerWaalsContact C-N 3.26Å; A158-I160 PolarHBondContact O-N 2.86Å; I160-K366 WeakPolarHBondContact CD1-O 3.34Å
161	D	66.9	Low	78.7	Confident	30 Å²	30	57.4 Å²	57.4	16%	0.16	29%	0.286	C	S	.	.			trans	-86.6	117.9	-177	-177.7	-21.4	0	0	0	110.4	E157 A158 R163 F164	E157-D161 WeakPolarHBondContact O-CB 3.43Å; E157-D161 PolarHBondContact O-N 3.25Å; E157-D161 VanDerWaalsContact O-N 3.11Å; A158-D161 PolarHBondContact O-N 2.78Å; D161-R163 PolarHBondContact O-N 3.19Å; D161-R163 VanDerWaalsContact OD1-CB 3.23Å; D161-R163 WeakPolarHBondContact OD1-CB 3.44Å; D161-R163 VanDerWaalsContact OD1-CG 3.23Å; D161-R163 WeakPolarHBondContact OD1-CG 3.17Å; D161-R163 IonicContact OD1-CZ 2.93Å; D161-R163 PolarHBondContact OD1-N 2.86Å; D161-R163 IonicContact OD1-NE 3.76Å; D161-R163 PolarHBondContact OD1-NE 2.96Å; D161-R163 IonicContact OD2-CZ 3.87Å; D161-R163 IonicContact OD2-NE 2.72Å; D161-R163 PolarHBondContact OD2-NE 3.4Å; D161-R163 IonicContact OD2-NH2 3.52Å; D161-R163 PolarHBondContact OD2-NH2 3.24Å; D161-F164 HydrophobicContact CB-CD2 3.92Å; D161-F164 HydrophobicContact CB-CE2 4.44Å; D161-F164 PolarHBondContact O-N 3.39Å
162	F	61.4	Low	78.7	Confident	110 Å²	110	57.4 Å²	57.4	48%	0.482	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-21.6	-179	68.8	-89.4	0	0	0	114.2	F164 W424 C608	F162-F164 VanDerWaalsContact C-N 3.26Å; F162-F164 PolarHBondContact O-N 3.47Å; F162-W424 HydrophobicContact CE1-CE3 4.08Å; F162-W424 HydrophobicContact CE1-CZ3 4.14Å; F162-W424 HydrophobicContact CZ-CE3 4.07Å; F162-W424 HydrophobicContact CZ-CZ3 4.48Å; F162-C608 VanDerWaalsContact CE2-O 3.25Å; F162-C608 WeakPolarHBondContact CE2-O 3.45Å
163	R	58.5	Low	78.8	Confident	149 Å²	149	59.3 Å²	59.3	56%	0.562	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-27.7	177.7	-61.4	177.4	-67.1	170.5	2.4	112	D161	D161-R163 PolarHBondContact O-N 3.19Å; D161-R163 VanDerWaalsContact OD1-CB 3.23Å; D161-R163 WeakPolarHBondContact OD1-CB 3.44Å; D161-R163 VanDerWaalsContact OD1-CG 3.23Å; D161-R163 WeakPolarHBondContact OD1-CG 3.17Å; D161-R163 IonicContact OD1-CZ 2.93Å; D161-R163 PolarHBondContact OD1-N 2.86Å; D161-R163 IonicContact OD1-NE 3.76Å; D161-R163 PolarHBondContact OD1-NE 2.96Å; D161-R163 IonicContact OD2-CZ 3.87Å; D161-R163 IonicContact OD2-NE 2.72Å; D161-R163 PolarHBondContact OD2-NE 3.4Å; D161-R163 IonicContact OD2-NH2 3.52Å; D161-R163 PolarHBondContact OD2-NH2 3.24Å
164	F	64.9	Low	79.2	Confident	41 Å²	41	57.3 Å²	57.3	18%	0.18	28%	0.283	C	S	.	.	S	Bend	trans	-90	104	171.5	-63.2	-90.1	0	0	0	107.6	W154 A158 D161 F162 Y168 L202	W154-F164 HydrophobicContact CZ2-CE1 4.17Å; W154-F164 HydrophobicContact CZ2-CZ 4.36Å; A158-F164 HydrophobicContact CB-CD1 4.31Å; A158-F164 HydrophobicContact CB-CD2 4.02Å; A158-F164 HydrophobicContact CB-CE1 4.39Å; A158-F164 HydrophobicContact CB-CE2 4.09Å; A158-F164 HydrophobicContact CB-CG 4.12Å; A158-F164 HydrophobicContact CB-CZ 4.28Å; A158-F164 WeakPolarHBondContact O-CB 3.36Å; D161-F164 HydrophobicContact CB-CD2 3.92Å; D161-F164 HydrophobicContact CB-CE2 4.44Å; D161-F164 PolarHBondContact O-N 3.39Å; F162-F164 VanDerWaalsContact C-N 3.26Å; F162-F164 PolarHBondContact O-N 3.47Å; F164-Y168 HydrophobicContact CB-CG 4.48Å; F164-Y168 AromaticContact CD1-CD1 3.83Å; F164-Y168 HydrophobicContact CD1-CD1 3.83Å; F164-Y168 AromaticContact CD1-CD2 3.77Å; F164-Y168 HydrophobicContact CD1-CD2 3.77Å; F164-Y168 AromaticContact CD1-CE1 3.72Å; F164-Y168 HydrophobicContact CD1-CE1 3.72Å; F164-Y168 AromaticContact CD1-CE2 3.63Å; F164-Y168 HydrophobicContact CD1-CE2 3.63Å; F164-Y168 AromaticContact CD1-CG 3.87Å; F164-Y168 HydrophobicContact CD1-CG 3.87Å; F164-Y168 AromaticContact CD1-CZ 3.6Å; F164-Y168 HydrophobicContact CE1-CD1 4.49Å; F164-Y168 AromaticContact CE1-CE1 3.93Å; F164-Y168 HydrophobicContact CE1-CE1 3.93Å; F164-Y168 AromaticContact CE1-CE2 3.95Å; F164-Y168 HydrophobicContact CE1-CE2 3.95Å; F164-Y168 AromaticContact CE1-CZ 3.61Å; F164-L202 HydrophobicContact CB-CD2 4.04Å
165	G	64.8	Low	79.6	Confident	36 Å²	36	56.8 Å²	56.8	37%	0.371	28%	0.282	S	S	.	.			trans	-59.5	153.7	176.1	0	0	0	0	0	111.5	S167 Y168	G165-S167 PolarHBondContact O-N 3.25Å; G165-Y168 VanDerWaalsContact O-CB 3.25Å; G165-Y168 WeakPolarHBondContact O-CB 3.45Å; G165-Y168 PolarHBondContact O-N 2.88Å
166	K	74.3	Confident	80	Confident	189 Å²	189	56.9 Å²	56.9	82%	0.822	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-9.3	175.2	-63	-179.9	-179.5	176.5	0	113.9	L202 G203	K166-L202 CarbonylContact O-C 3.57Å; K166-L202 VanDerWaalsContact O-C 3.23Å; K166-G203 WeakPolarHBondContact O-CA 3.24Å; K166-G203 PolarHBondContact O-N 3.29Å
167	S	79.8	Confident	80.4	Confident	76 Å²	76	52.4 Å²	52.4	53%	0.531	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	8.9	177.3	55.9	0	0	0	0	113.9	G165 L169 K170 L202	G165-S167 PolarHBondContact O-N 3.25Å; S167-L169 PolarHBondContact O-N 2.8Å; S167-L169 VanDerWaalsContact O-N 3.12Å; S167-K170 VanDerWaalsContact O-CB 3.28Å; S167-K170 WeakPolarHBondContact O-CB 3.35Å; S167-K170 PolarHBondContact O-N 2.88Å; S167-L202 CarbonylContact C-O 3.55Å
168	Y	79.2	Confident	81.1	Confident	50 Å²	50	49.3 Å²	49.3	20%	0.196	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-36.9	-174.5	-175.1	-108.8	0	0	0	113.2	I123 W154 F164 G165 L202	I123-Y168 HydrophobicContact CD1-CE2 4.4Å; I123-Y168 WeakPolarHBondContact CD1-OH 3.31Å; I123-Y168 HydrophobicContact CG1-CE2 4.46Å; I123-Y168 WeakPolarHBondContact CG1-OH 3.42Å; W154-Y168 HydrophobicContact CH2-CE1 4.18Å; F164-Y168 HydrophobicContact CB-CG 4.48Å; F164-Y168 AromaticContact CD1-CD1 3.83Å; F164-Y168 HydrophobicContact CD1-CD1 3.83Å; F164-Y168 AromaticContact CD1-CD2 3.77Å; F164-Y168 HydrophobicContact CD1-CD2 3.77Å; F164-Y168 AromaticContact CD1-CE1 3.72Å; F164-Y168 HydrophobicContact CD1-CE1 3.72Å; F164-Y168 AromaticContact CD1-CE2 3.63Å; F164-Y168 HydrophobicContact CD1-CE2 3.63Å; F164-Y168 AromaticContact CD1-CG 3.87Å; F164-Y168 HydrophobicContact CD1-CG 3.87Å; F164-Y168 AromaticContact CD1-CZ 3.6Å; F164-Y168 HydrophobicContact CE1-CD1 4.49Å; F164-Y168 AromaticContact CE1-CE1 3.93Å; F164-Y168 HydrophobicContact CE1-CE1 3.93Å; F164-Y168 AromaticContact CE1-CE2 3.95Å; F164-Y168 HydrophobicContact CE1-CE2 3.95Å; F164-Y168 AromaticContact CE1-CZ 3.61Å; G165-Y168 VanDerWaalsContact O-CB 3.25Å; G165-Y168 WeakPolarHBondContact O-CB 3.45Å; G165-Y168 PolarHBondContact O-N 2.88Å; Y168-L202 PolarHBondContact N-O 2.82Å
169	L	85.8	Confident	81.8	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	23.4	179	-57.3	-179.9	0	0	0	113.5	L122 V126 S167 G171 M172 L199 L202 A204	L122-L169 HydrophobicContact CD2-CD1 3.65Å; L122-L169 HydrophobicContact CD2-CD2 3.74Å; L122-L169 HydrophobicContact CD2-CG 4.34Å; L122-L169 HydrophobicContact CG-CD2 4.19Å; V126-L169 HydrophobicContact CG2-CD2 3.91Å; S167-L169 PolarHBondContact O-N 2.8Å; S167-L169 VanDerWaalsContact O-N 3.12Å; L169-G171 PolarHBondContact O-N 3.46Å; L169-M172 HydrophobicContact CB-CB 4.17Å; L169-M172 HydrophobicContact CD1-CE 4.1Å; L169-M172 HydrophobicContact CD1-SD 4.43Å; L169-M172 WeakPolarHBondContact O-CB 3.44Å; L169-M172 PolarHBondContact O-N 3.31Å; L169-L199 HydrophobicContact CD1-CD2 3.85Å; L169-L202 HydrophobicContact CB-CB 4.32Å; L169-L202 HydrophobicContact CD1-CB 3.82Å; L169-L202 HydrophobicContact CD1-CD1 3.9Å; L169-L202 HydrophobicContact CG-CB 3.96Å; L169-L202 PolarHBondContact N-O 3.24Å; L169-A204 HydrophobicContact CB-CB 3.87Å; L169-A204 HydrophobicContact CD1-CB 4.47Å; L169-A204 WeakPolarHBondContact O-CA 3.41Å
170	K	83.4	Confident	82.4	Confident	160 Å²	160	49 Å²	49	70%	0.696	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-31.4	-173.3	-172.7	175	178.3	-178.9	0	115.1	S167 G203	S167-K170 VanDerWaalsContact O-CB 3.28Å; S167-K170 WeakPolarHBondContact O-CB 3.35Å; S167-K170 PolarHBondContact O-N 2.88Å; K170-G203 VanDerWaalsContact CA-O 3.3Å; K170-G203 WeakPolarHBondContact CA-O 3.33Å
171	G	83.2	Confident	83.1	Confident	40 Å²	40	47.5 Å²	47.5	41%	0.412	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-11.3	178.1	0	0	0	0	0	115.3	L169	L169-G171 PolarHBondContact O-N 3.46Å
172	M	89	Confident	84.2	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.235	C	C	.	.			trans	-78.5	125.5	-175.2	-166.5	-178	81.2	0	0	110.9	L122 E125 V126 F134 L169 Y174 L199 A204 H205	L122-M172 HydrophobicContact CG-SD 4.31Å; E125-M172 HydrophobicContact CB-CG 4.28Å; E125-M172 HydrophobicContact CB-SD 4.38Å; V126-M172 HydrophobicContact CG2-CB 4.39Å; F134-M172 HydrophobicContact CE2-CE 4.32Å; L169-M172 HydrophobicContact CB-CB 4.17Å; L169-M172 HydrophobicContact CD1-CE 4.1Å; L169-M172 HydrophobicContact CD1-SD 4.43Å; L169-M172 WeakPolarHBondContact O-CB 3.44Å; L169-M172 PolarHBondContact O-N 3.31Å; M172-Y174 HydrophobicContact CE-CD1 4.35Å; M172-Y174 HydrophobicContact CE-CG 4.34Å; M172-L199 HydrophobicContact CE-CD1 4.21Å; M172-L199 HydrophobicContact CE-CD2 3.55Å; M172-L199 HydrophobicContact CE-CG 4.35Å; M172-A204 HydrophobicContact CB-CB 4.23Å; M172-A204 HydrophobicContact CE-CB 3.72Å; M172-H205 PolarHBondContact O-N 3.12Å
173	R	92.5	Very high	85.4	Confident	46 Å²	46	44.6 Å²	44.6	17%	0.174	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	130.8	172.4	-67.8	179.7	-66.3	-170.5	-4.9	110.1	F75 K129 V131 C132 H205 V207	F75-R173 PolarHBondContact O-NH1 2.93Å; F75-R173 PolarHBondContact O-NH2 3.04Å; K129-R173 PolarHBondContact O-NH2 3.23Å; V131-R173 HydrophobicContact CG2-CB 4.37Å; C132-R173 PolarHBondContact N-O 2.88Å; R173-H205 CarbonylContact C-O 3.49Å; R173-H205 VanDerWaalsContact CA-O 3.31Å; R173-H205 WeakPolarHBondContact CA-O 3.36Å; R173-V207 HydrophobicContact CB-CG2 3.91Å
174	Y	95.3	Very high	86.7	Confident	1 Å²	1	44.7 Å²	44.7	0%	0.004	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	159.5	-175.6	80.3	-80.6	0	0	0	115.8	C132 M172 V176 D196 L199 A204 H205 R206 V207	C132-Y174 CarbonylContact O-C 3.23Å; C132-Y174 WeakPolarHBondContact O-CA 3.47Å; C132-Y174 WeakPolarHBondContact O-CB 3.49Å; M172-Y174 HydrophobicContact CE-CD1 4.35Å; M172-Y174 HydrophobicContact CE-CG 4.34Å; Y174-V176 HydrophobicContact CD2-CG2 3.64Å; Y174-V176 HydrophobicContact CE2-CG2 3.63Å; Y174-D196 WeakPolarHBondContact CE2-OD1 3.42Å; Y174-D196 PolarHBondContact OH-O 3.42Å; Y174-D196 PolarHBondContact OH-OD1 2.96Å; Y174-L199 HydrophobicContact CD1-CB 4.39Å; Y174-L199 HydrophobicContact CD2-CB 4.36Å; Y174-L199 HydrophobicContact CD2-CD1 3.54Å; Y174-L199 HydrophobicContact CE1-CB 3.95Å; Y174-L199 HydrophobicContact CE2-CB 3.92Å; Y174-L199 HydrophobicContact CE2-CD1 3.76Å; Y174-L199 HydrophobicContact CG-CD1 3.98Å; Y174-A204 HydrophobicContact CD1-CB 3.53Å; Y174-A204 HydrophobicContact CE1-CB 3.59Å; Y174-H205 WeakPolarHBondContact CD1-O 3.48Å; Y174-H205 PolarHBondContact N-O 3.32Å; Y174-R206 HydrophobicContact CD1-CG 4.49Å; Y174-R206 HydrophobicContact CE1-CB 4.48Å; Y174-R206 HydrophobicContact CE1-CG 3.61Å; Y174-R206 HydrophobicContact CE2-CG 4.02Å; Y174-R206 CarbonylContact O-C 3.57Å; Y174-R206 WeakPolarHBondContact O-CA 3.03Å; Y174-R206 WeakPolarHBondContact OH-CG 3.44Å; Y174-R206 PolarHBondContact OH-NE 2.84Å; Y174-V207 PolarHBondContact O-N 2.75Å
175	A	96.8	Very high	87.6	Confident	1 Å²	1	46.9 Å²	46.9	1%	0.008	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.1	168.2	0	0	0	0	0	109.9	C132 V133 F134 M208 W232 F236	C132-A175 PolarHBondContact O-N 2.9Å; V133-A175 CarbonylContact C-O 3.6Å; V133-A175 WeakPolarHBondContact CA-O 3.16Å; F134-A175 PolarHBondContact N-O 3.32Å; A175-M208 HydrophobicContact CB-CG 4.14Å; A175-W232 HydrophobicContact CB-CZ2 3.97Å; A175-F236 HydrophobicContact CB-CD2 3.95Å; A175-F236 HydrophobicContact CB-CE2 3.82Å
176	V	97.7	Very high	88.6	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	134.3	-178.5	-175.8	0	0	0	0	109.8	F134 V136 Y174 V195 D196 R210 G211	F134-V176 HydrophobicContact CB-CG1 4.48Å; F134-V176 HydrophobicContact CB-CG2 4.28Å; F134-V176 HydrophobicContact CD2-CG2 4.38Å; F134-V176 WeakPolarHBondContact O-CA 3.44Å; V136-V176 HydrophobicContact CG2-CG1 4.37Å; Y174-V176 HydrophobicContact CD2-CG2 3.64Å; Y174-V176 HydrophobicContact CE2-CG2 3.63Å; V176-V195 HydrophobicContact CG2-CG1 4.37Å; V176-D196 HydrophobicContact CB-CB 4.31Å; V176-D196 HydrophobicContact CG2-CB 4.04Å; V176-R210 HydrophobicContact CB-CG 4.16Å; V176-R210 HydrophobicContact CG1-CG 4.25Å; V176-R210 CarbonylContact O-C 3.54Å; V176-R210 WeakPolarHBondContact O-CA 3.4Å; V176-G211 PolarHBondContact O-N 3.35Å
177	F	97.3	Very high	89.3	Confident	2 Å²	2	43.1 Å²	43.1	1%	0.009	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	114.6	166.7	-170.9	-94.7	0	0	0	108.7	F93 F134 L135 V136 L179 D228 F229 W232	F93-F177 HydrophobicContact CD2-CE1 4.29Å; F93-F177 HydrophobicContact CE2-CE1 4.25Å; F134-F177 PolarHBondContact O-N 3.11Å; L135-F177 WeakPolarHBondContact CA-O 3.31Å; L135-F177 HydrophobicContact CD2-CB 3.54Å; L135-F177 HydrophobicContact CD2-CG 4.38Å; V136-F177 PolarHBondContact N-O 3.33Å; F177-L179 HydrophobicContact CD1-CD1 3.93Å; F177-L179 HydrophobicContact CD1-CG 4.35Å; F177-L179 HydrophobicContact CE1-CD1 4.29Å; F177-L179 HydrophobicContact CE1-CG 4.21Å; F177-D228 HydrophobicContact CZ-CB 4.44Å; F177-F229 HydrophobicContact CD1-CD2 4.05Å; F177-F229 HydrophobicContact CD2-CD2 4.46Å; F177-F229 HydrophobicContact CE1-CB 3.95Å; F177-F229 AromaticContact CE1-CD2 3.98Å; F177-F229 HydrophobicContact CE1-CD2 3.98Å; F177-F229 HydrophobicContact CE1-CG 4.42Å; F177-F229 HydrophobicContact CE2-CB 4.33Å; F177-F229 HydrophobicContact CE2-CD2 4.41Å; F177-F229 HydrophobicContact CG-CD2 4.3Å; F177-F229 VanDerWaalsContact CZ-CA 3.47Å; F177-F229 HydrophobicContact CZ-CB 3.68Å; F177-F229 HydrophobicContact CZ-CD2 4.18Å; F177-F229 HydrophobicContact CZ-CG 4.45Å; F177-W232 HydrophobicContact CB-CD2 4.19Å; F177-W232 HydrophobicContact CB-CE3 4.24Å; F177-W232 HydrophobicContact CB-CH2 4.21Å; F177-W232 HydrophobicContact CB-CZ2 4.11Å; F177-W232 HydrophobicContact CB-CZ3 4.26Å; F177-W232 HydrophobicContact CD2-CB 3.8Å; F177-W232 AromaticContact CD2-CD1 3.93Å; F177-W232 AromaticContact CD2-CD2 3.52Å; F177-W232 HydrophobicContact CD2-CD2 3.52Å; F177-W232 AromaticContact CD2-CE3 3.9Å; F177-W232 HydrophobicContact CD2-CE3 3.9Å; F177-W232 AromaticContact CD2-CG 3.47Å; F177-W232 HydrophobicContact CD2-CG 3.47Å; F177-W232 VanDerWaalsContact CD2-CG 3.47Å; F177-W232 HydrophobicContact CE2-CB 3.7Å; F177-W232 HydrophobicContact CE2-CD2 4.33Å; F177-W232 AromaticContact CE2-CG 3.91Å; F177-W232 HydrophobicContact CE2-CG 3.91Å; F177-W232 HydrophobicContact CG-CD2 4.21Å; F177-W232 HydrophobicContact CG-CE3 4.27Å
178	G	96	Very high	89.9	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	142.7	173.3	0	0	0	0	0	110.8	V136 N189 G211 G213	V136-G178 WeakPolarHBondContact O-CA 3.35Å; G178-N189 WeakPolarHBondContact CA-OD1 3.2Å; G178-N189 PolarHBondContact O-OD1 3.17Å; G178-G211 PolarHBondContact N-O 2.8Å; G178-G213 PolarHBondContact O-N 2.83Å
179	L	95	Very high	90.5	Very high	9 Å²	9	38.9 Å²	38.9	5%	0.047	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	124.6	165.2	-63	79.7	0	0	0	108.2	T89 A90 F93 V136 A137 T138 F177 N189 I225	T89-L179 HydrophobicContact CG2-CD2 3.71Å; A90-L179 HydrophobicContact CB-CD1 3.89Å; A90-L179 HydrophobicContact CB-CD2 4.07Å; F93-L179 HydrophobicContact CD2-CD2 3.85Å; F93-L179 HydrophobicContact CD2-CG 4.36Å; F93-L179 HydrophobicContact CE2-CD2 3.75Å; F93-L179 HydrophobicContact CE2-CG 4.29Å; V136-L179 PolarHBondContact O-N 3.17Å; A137-L179 HydrophobicContact CB-CB 4.07Å; T138-L179 PolarHBondContact N-O 2.93Å; F177-L179 HydrophobicContact CD1-CD1 3.93Å; F177-L179 HydrophobicContact CD1-CG 4.35Å; F177-L179 HydrophobicContact CE1-CD1 4.29Å; F177-L179 HydrophobicContact CE1-CG 4.21Å; L179-N189 VanDerWaalsContact C-OD1 3.27Å; L179-N189 PolarHBondContact N-OD1 3.1Å; L179-N189 VanDerWaalsContact N-OD1 3.17Å; L179-I225 HydrophobicContact CB-CD1 3.74Å; L179-I225 HydrophobicContact CD2-CD1 3.93Å; L179-I225 HydrophobicContact CG-CD1 3.84Å
180	G	92.6	Very high	90.9	Very high	5 Å²	5	42.9 Å²	42.9	5%	0.052	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	-178.5	-179.4	0	0	0	0	0	112.3	N189 G213 D214 C215	G180-N189 PolarHBondContact N-OD1 3Å; G180-G213 PolarHBondContact N-O 2.72Å; G180-D214 WeakPolarHBondContact O-CA 3.37Å; G180-C215 PolarHBondContact O-N 2.79Å; G180-C215 PolarHBondContact O-SG 3.16Å
181	N	90.9	Very high	91.4	Very high	51 Å²	51	35.4 Å²	35.4	27%	0.273	21%	0.209	S	C	.	.			trans	-135.7	116.6	177.4	-178.9	-20.7	0	0	0	108.9	A183 Y184 D214 C215	N181-A183 PolarHBondContact O-N 3.49Å; N181-A183 WeakPolarHBondContact OD1-CB 3.26Å; N181-A183 PolarHBondContact OD1-N 2.91Å; N181-Y184 HydrophobicContact CB-CD2 3.98Å; N181-Y184 HydrophobicContact CB-CE2 4.33Å; N181-Y184 PolarHBondContact O-N 3.24Å; N181-Y184 VanDerWaalsContact O-N 3.11Å; N181-D214 WeakPolarHBondContact CA-OD1 3.33Å; N181-C215 HydrophobicContact CB-CB 4.04Å
182	S	90.2	Very high	92	Very high	16 Å²	16	33.5 Å²	33.5	11%	0.112	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-6.5	-175	68.9	0	0	0	0	113.9	Y184 F188 D214 D216 K219	S182-Y184 PolarHBondContact O-N 2.81Å; S182-F188 VanDerWaalsContact CA-CD2 3.49Å; S182-F188 VanDerWaalsContact N-CD2 3.32Å; S182-D214 WeakPolarHBondContact CB-OD2 3.24Å; S182-D214 PolarHBondContact N-OD1 3.21Å; S182-D214 PolarHBondContact OG-OD1 3.47Å; S182-D214 PolarHBondContact OG-OD2 2.67Å; S182-D216 WeakPolarHBondContact OG-CB 3.38Å; S182-K219 VanDerWaalsContact OG-CB 3.25Å; S182-K219 WeakPolarHBondContact OG-CB 3.46Å; S182-K219 WeakPolarHBondContact OG-CD 3.23Å
183	A	86.6	Confident	92.2	Very high	63 Å²	63	36.8 Å²	36.8	52%	0.521	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-27.9	162.2	0	0	0	0	0	111.5	N181	N181-A183 PolarHBondContact O-N 3.49Å; N181-A183 WeakPolarHBondContact OD1-CB 3.26Å; N181-A183 PolarHBondContact OD1-N 2.91Å
184	Y	86.3	Confident	92.3	Very high	151 Å²	151	37 Å²	37	59%	0.592	21%	0.207	S	C	*	.	S	Bend	trans	-101	73.7	173.4	-53.6	-80	0	0	0	110.8	N181 S182 S186 H187 F188	N181-Y184 HydrophobicContact CB-CD2 3.98Å; N181-Y184 HydrophobicContact CB-CE2 4.33Å; N181-Y184 PolarHBondContact O-N 3.24Å; N181-Y184 VanDerWaalsContact O-N 3.11Å; S182-Y184 PolarHBondContact O-N 2.81Å; Y184-S186 VanDerWaalsContact C-N 3.28Å; Y184-S186 PolarHBondContact O-N 3.14Å; Y184-S186 VanDerWaalsContact O-N 3.13Å; Y184-H187 CarbonylContact O-C 3.51Å; Y184-H187 PolarHBondContact O-N 2.94Å; Y184-F188 PolarHBondContact O-N 3.28Å
185	A	83.3	Confident	92.3	Very high	88 Å²	88	36.9 Å²	36.9	73%	0.727	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-39.5	-171.9	0	0	0	0	0	114.5	H187	A185-H187 PolarHBondContact O-N 3.17Å
186	S	86.2	Confident	92.3	Very high	93 Å²	93	37 Å²	37	65%	0.65	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-17.8	178.8	55	0	0	0	0	114.2	Y184	Y184-S186 VanDerWaalsContact C-N 3.28Å; Y184-S186 PolarHBondContact O-N 3.14Å; Y184-S186 VanDerWaalsContact O-N 3.13Å
187	H	88.6	Confident	92.1	Very high	52 Å²	52	42 Å²	42	24%	0.241	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125.1	1.3	-172.1	-59.4	-45.7	0	0	0	113.6	Y184 A185 N189 K190	Y184-H187 CarbonylContact O-C 3.51Å; Y184-H187 PolarHBondContact O-N 2.94Å; A185-H187 PolarHBondContact O-N 3.17Å; H187-N189 PolarHBondContact O-N 3.34Å; H187-N189 VanDerWaalsContact O-N 3.08Å; H187-K190 WeakPolarHBondContact O-CB 3.25Å; H187-K190 PolarHBondContact O-N 2.9Å; H187-K190 VanDerWaalsContact O-N 3.12Å
188	F	92.4	Very high	91.9	Very high	38 Å²	38	42.9 Å²	42.9	17%	0.167	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	115.6	-177.8	179	-119.5	0	0	0	112.4	S182 Y184 K190 K193 E212 D214	S182-F188 VanDerWaalsContact CA-CD2 3.49Å; S182-F188 VanDerWaalsContact N-CD2 3.32Å; Y184-F188 PolarHBondContact O-N 3.28Å; F188-K190 PolarHBondContact O-N 3.34Å; F188-K190 VanDerWaalsContact O-N 3.11Å; F188-K193 PolarHBondContact O-NZ 2.9Å; F188-E212 HydrophobicContact CE1-CB 4.33Å; F188-E212 HydrophobicContact CZ-CB 4.29Å; F188-D214 HydrophobicContact CE2-CB 3.83Å; F188-D214 HydrophobicContact CZ-CB 4.01Å
189	N	92.1	Very high	91.7	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	25.8	179.3	-86.5	-64.3	0	0	0	114.6	G178 L179 G180 H187 V191 G192 K193 E212 G213	G178-N189 WeakPolarHBondContact CA-OD1 3.2Å; G178-N189 PolarHBondContact O-OD1 3.17Å; L179-N189 VanDerWaalsContact C-OD1 3.27Å; L179-N189 PolarHBondContact N-OD1 3.1Å; L179-N189 VanDerWaalsContact N-OD1 3.17Å; G180-N189 PolarHBondContact N-OD1 3Å; H187-N189 PolarHBondContact O-N 3.34Å; H187-N189 VanDerWaalsContact O-N 3.08Å; N189-V191 VanDerWaalsContact C-N 3.3Å; N189-V191 PolarHBondContact O-N 3.3Å; N189-G192 PolarHBondContact O-N 2.86Å; N189-K193 WeakPolarHBondContact O-CB 3.33Å; N189-K193 VanDerWaalsContact O-CG 3.32Å; N189-K193 WeakPolarHBondContact O-CG 3.44Å; N189-K193 PolarHBondContact O-N 3.32Å; N189-E212 HydrophobicContact CB-CB 4.47Å; N189-E212 HydrophobicContact CB-CG 4.29Å; N189-G213 PolarHBondContact ND2-O 2.76Å
190	K	93.4	Very high	91.6	Very high	83 Å²	83	48.7 Å²	48.7	36%	0.361	25%	0.254	S	S	.	.	H	α-helix	trans	-57	-40.7	-173.7	-172.2	170.8	179.6	-179.5	0	112.9	T138 H187 F188 K193 N194	T138-K190 HydrophobicContact CG2-CB 4.31Å; T138-K190 PolarHBondContact OG1-N 3.4Å; H187-K190 WeakPolarHBondContact O-CB 3.25Å; H187-K190 PolarHBondContact O-N 2.9Å; H187-K190 VanDerWaalsContact O-N 3.12Å; F188-K190 PolarHBondContact O-N 3.34Å; F188-K190 VanDerWaalsContact O-N 3.11Å; K190-K193 PolarHBondContact O-N 2.68Å; K190-N194 WeakPolarHBondContact O-CB 3.44Å; K190-N194 VanDerWaalsContact O-CG 3.22Å; K190-N194 PolarHBondContact O-N 3.48Å; K190-N194 PolarHBondContact O-OD1 3.35Å
191	V	93.9	Very high	91.3	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.024	27%	0.267	C	S	.	.	H	α-helix	trans	-68.5	-46.5	-179.1	177.6	0	0	0	0	111.2	V136 T138 R143 P144 N189 K193 N194 V195	V136-V191 HydrophobicContact CB-CG1 4.21Å; V136-V191 HydrophobicContact CG2-CG1 4.21Å; T138-V191 HydrophobicContact CG2-CG2 3.99Å; T138-V191 PolarHBondContact OG1-N 3.35Å; R143-V191 WeakPolarHBondContact O-CG2 3.46Å; P144-V191 HydrophobicContact CB-CG1 4.14Å; P144-V191 HydrophobicContact CB-CG2 4.24Å; N189-V191 VanDerWaalsContact C-N 3.3Å; N189-V191 PolarHBondContact O-N 3.3Å; V191-K193 VanDerWaalsContact C-N 3.31Å; V191-K193 PolarHBondContact O-N 3.34Å; V191-N194 PolarHBondContact O-N 3.1Å; V191-V195 WeakPolarHBondContact O-CG2 3.39Å; V191-V195 PolarHBondContact O-N 3.02Å
192	G	94.8	Very high	91	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-61.8	-38.5	175.8	0	0	0	0	0	112.7	N189 D196 R210	N189-G192 PolarHBondContact O-N 2.86Å; G192-D196 VanDerWaalsContact O-CB 3.27Å; G192-D196 WeakPolarHBondContact O-CB 3.49Å; G192-D196 PolarHBondContact O-N 2.96Å; G192-D196 VanDerWaalsContact O-N 3.13Å; G192-R210 WeakPolarHBondContact O-CD 3.49Å
193	K	95.1	Very high	90.9	Very high	69 Å²	69	49.9 Å²	49.9	30%	0.3	26%	0.263	S	S	.	.	H	α-helix	trans	-61.7	-44.1	173.5	-74.7	167.4	179.6	168.1	0	111.9	F188 N189 K190 V191 K197 E212	F188-K193 PolarHBondContact O-NZ 2.9Å; N189-K193 WeakPolarHBondContact O-CB 3.33Å; N189-K193 VanDerWaalsContact O-CG 3.32Å; N189-K193 WeakPolarHBondContact O-CG 3.44Å; N189-K193 PolarHBondContact O-N 3.32Å; K190-K193 PolarHBondContact O-N 2.68Å; V191-K193 VanDerWaalsContact C-N 3.31Å; V191-K193 PolarHBondContact O-N 3.34Å; K193-K197 WeakPolarHBondContact O-CB 3.38Å; K193-K197 PolarHBondContact O-N 3.13Å; K193-E212 WeakPolarHBondContact CE-OE1 2.85Å; K193-E212 IonicContact NZ-OE1 3.84Å
194	N	94.4	Very high	91	Very high	49 Å²	49	47.1 Å²	47.1	26%	0.262	24%	0.24	S	C	.	.	H	α-helix	trans	-68.5	-48	-179.5	-74.7	-5.7	0	0	0	112.3	K190 V191 D196 K197 W198	K190-N194 WeakPolarHBondContact O-CB 3.44Å; K190-N194 VanDerWaalsContact O-CG 3.22Å; K190-N194 PolarHBondContact O-N 3.48Å; K190-N194 PolarHBondContact O-OD1 3.35Å; V191-N194 PolarHBondContact O-N 3.1Å; N194-D196 VanDerWaalsContact C-N 3.3Å; N194-D196 PolarHBondContact O-N 2.74Å; N194-K197 WeakPolarHBondContact O-CB 3.44Å; N194-K197 PolarHBondContact O-N 2.87Å; N194-K197 VanDerWaalsContact O-N 3.09Å; N194-W198 HydrophobicContact CB-CD2 4.21Å; N194-W198 HydrophobicContact CB-CE3 3.96Å; N194-W198 HydrophobicContact CB-CH2 3.56Å; N194-W198 HydrophobicContact CB-CZ2 3.79Å; N194-W198 HydrophobicContact CB-CZ3 3.63Å; N194-W198 VanDerWaalsContact O-CG 3.29Å; N194-W198 PolarHBondContact O-N 3.39Å
195	V	95.3	Very high	91.2	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.5	-46.8	176.7	170.5	0	0	0	0	110.7	F134 V136 F151 L155 V176 V191 K197 W198 L199	F134-V195 HydrophobicContact CB-CG1 4.4Å; F134-V195 HydrophobicContact CG-CG1 4.37Å; V136-V195 HydrophobicContact CG2-CG2 4.46Å; F151-V195 HydrophobicContact CE1-CG1 4.3Å; L155-V195 HydrophobicContact CD1-CG1 4.17Å; V176-V195 HydrophobicContact CG2-CG1 4.37Å; V191-V195 WeakPolarHBondContact O-CG2 3.39Å; V191-V195 PolarHBondContact O-N 3.02Å; V195-K197 VanDerWaalsContact C-N 3.32Å; V195-K197 PolarHBondContact O-N 2.81Å; V195-W198 PolarHBondContact O-N 2.91Å; V195-L199 HydrophobicContact CG1-CD1 3.82Å; V195-L199 HydrophobicContact CG1-CG 4.31Å; V195-L199 WeakPolarHBondContact O-CB 3.21Å; V195-L199 VanDerWaalsContact O-CG 3.26Å; V195-L199 WeakPolarHBondContact O-CG 3.37Å; V195-L199 PolarHBondContact O-N 3.48Å
196	D	95.3	Very high	91.7	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.016	21%	0.21	C	C	.	.	H	α-helix	trans	-62.2	-37.4	177.2	176.8	55.1	0	0	0	113.1	Y174 V176 G192 N194 W200 R206 R210	Y174-D196 WeakPolarHBondContact CE2-OD1 3.42Å; Y174-D196 PolarHBondContact OH-O 3.42Å; Y174-D196 PolarHBondContact OH-OD1 2.96Å; V176-D196 HydrophobicContact CB-CB 4.31Å; V176-D196 HydrophobicContact CG2-CB 4.04Å; G192-D196 VanDerWaalsContact O-CB 3.27Å; G192-D196 WeakPolarHBondContact O-CB 3.49Å; G192-D196 PolarHBondContact O-N 2.96Å; G192-D196 VanDerWaalsContact O-N 3.13Å; N194-D196 VanDerWaalsContact C-N 3.3Å; N194-D196 PolarHBondContact O-N 2.74Å; D196-W200 WeakPolarHBondContact O-CB 3.44Å; D196-W200 PolarHBondContact O-N 3.28Å; D196-R206 PolarHBondContact O-NH2 2.9Å; D196-R206 IonicContact OD1-CZ 3.89Å; D196-R206 IonicContact OD1-NE 3.96Å; D196-R206 PolarHBondContact OD1-NE 3.33Å; D196-R206 VanDerWaalsContact OD1-NE 3.08Å; D196-R206 IonicContact OD1-NH1 3.42Å; D196-R206 IonicContact OD1-NH2 2.67Å; D196-R206 PolarHBondContact OD1-NH2 3.5Å; D196-R206 VanDerWaalsContact OD1-NH2 3.08Å; D196-R206 IonicContact OD2-CZ 2.91Å; D196-R206 IonicContact OD2-NE 3.67Å; D196-R206 IonicContact OD2-NH1 3.64Å; D196-R206 PolarHBondContact OD2-NH1 3.33Å; D196-R206 VanDerWaalsContact OD2-NH1 3.08Å; D196-R206 IonicContact OD2-NH2 2.68Å; D196-R206 PolarHBondContact OD2-NH2 3.48Å; D196-R210 HydrophobicContact CB-CG 4.49Å; D196-R210 IonicContact OD2-CZ 2.66Å; D196-R210 IonicContact OD2-NH1 3.66Å; D196-R210 PolarHBondContact OD2-NH1 2.94Å
197	K	93.7	Very high	92	Very high	107 Å²	107	40.2 Å²	40.2	47%	0.465	19%	0.185	S	C	.	.	H	α-helix	trans	-67	-50.2	175.3	179.4	-173.3	174.4	-173.1	0	111.4	K193 N194 V195 W200 M201	K193-K197 WeakPolarHBondContact O-CB 3.38Å; K193-K197 PolarHBondContact O-N 3.13Å; N194-K197 WeakPolarHBondContact O-CB 3.44Å; N194-K197 PolarHBondContact O-N 2.87Å; N194-K197 VanDerWaalsContact O-N 3.09Å; V195-K197 VanDerWaalsContact C-N 3.32Å; V195-K197 PolarHBondContact O-N 2.81Å; K197-W200 PolarHBondContact O-N 3.26Å; K197-M201 HydrophobicContact CD-SD 4.46Å; K197-M201 HydrophobicContact CG-CG 4.5Å; K197-M201 HydrophobicContact CG-SD 4.03Å; K197-M201 WeakPolarHBondContact O-CG 3.16Å; K197-M201 PolarHBondContact O-N 2.91Å
198	W	93.8	Very high	92.1	Very high	19 Å²	19	38.9 Å²	38.9	7%	0.072	18%	0.18	C	C	.	.	H	α-helix	trans	-67.7	-39.9	-175.3	-61.6	-44.4	0	0	0	112.4	C152 L155 E156 N194 V195 W200 M201 L202	C152-W198 HydrophobicContact CB-CZ3 4.12Å; C152-W198 WeakPolarHBondContact O-CZ3 3.32Å; L155-W198 HydrophobicContact CB-CB 4.17Å; L155-W198 HydrophobicContact CB-CD2 4.47Å; L155-W198 HydrophobicContact CB-CE3 3.93Å; E156-W198 HydrophobicContact CB-CD2 4.24Å; E156-W198 HydrophobicContact CB-CE3 4.46Å; E156-W198 HydrophobicContact CB-CH2 3.79Å; E156-W198 HydrophobicContact CB-CZ2 3.54Å; E156-W198 HydrophobicContact CB-CZ3 4.26Å; E156-W198 HydrophobicContact CG-CH2 4.25Å; E156-W198 HydrophobicContact CG-CZ2 3.6Å; N194-W198 HydrophobicContact CB-CD2 4.21Å; N194-W198 HydrophobicContact CB-CE3 3.96Å; N194-W198 HydrophobicContact CB-CH2 3.56Å; N194-W198 HydrophobicContact CB-CZ2 3.79Å; N194-W198 HydrophobicContact CB-CZ3 3.63Å; N194-W198 VanDerWaalsContact O-CG 3.29Å; N194-W198 PolarHBondContact O-N 3.39Å; V195-W198 PolarHBondContact O-N 2.91Å; W198-W200 VanDerWaalsContact C-N 3.31Å; W198-W200 PolarHBondContact O-N 2.87Å; W198-M201 PolarHBondContact O-N 3.47Å; W198-L202 WeakPolarHBondContact O-CG 3.35Å; W198-L202 PolarHBondContact O-N 3.5Å; W198-L202 VanDerWaalsContact O-N 3.08Å
199	L	91.8	Very high	92	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60.3	-42.1	173.4	-71.8	178.1	0	0	0	111.9	F134 L155 L169 M172 Y174 V195 L202 G203 A204	F134-L199 HydrophobicContact CD2-CD1 3.75Å; F134-L199 HydrophobicContact CE2-CD1 3.52Å; F134-L199 HydrophobicContact CZ-CD1 4.13Å; L155-L199 HydrophobicContact CD1-CD2 4.13Å; L155-L199 HydrophobicContact CD1-CG 4.25Å; L155-L199 HydrophobicContact CD2-CD2 3.71Å; L155-L199 HydrophobicContact CD2-CG 4.47Å; L169-L199 HydrophobicContact CD1-CD2 3.85Å; M172-L199 HydrophobicContact CE-CD1 4.21Å; M172-L199 HydrophobicContact CE-CD2 3.55Å; M172-L199 HydrophobicContact CE-CG 4.35Å; Y174-L199 HydrophobicContact CD1-CB 4.39Å; Y174-L199 HydrophobicContact CD2-CB 4.36Å; Y174-L199 HydrophobicContact CD2-CD1 3.54Å; Y174-L199 HydrophobicContact CE1-CB 3.95Å; Y174-L199 HydrophobicContact CE2-CB 3.92Å; Y174-L199 HydrophobicContact CE2-CD1 3.76Å; Y174-L199 HydrophobicContact CG-CD1 3.98Å; V195-L199 HydrophobicContact CG1-CD1 3.82Å; V195-L199 HydrophobicContact CG1-CG 4.31Å; V195-L199 WeakPolarHBondContact O-CB 3.21Å; V195-L199 VanDerWaalsContact O-CG 3.26Å; V195-L199 WeakPolarHBondContact O-CG 3.37Å; V195-L199 PolarHBondContact O-N 3.48Å; L199-L202 PolarHBondContact O-N 2.83Å; L199-G203 PolarHBondContact O-N 2.86Å; L199-A204 HydrophobicContact CB-CB 4.27Å; L199-A204 WeakPolarHBondContact O-CB 3.33Å; L199-A204 PolarHBondContact O-N 2.9Å
200	W	91.9	Very high	92.2	Very high	132 Å²	132	43.7 Å²	43.7	50%	0.5	21%	0.211	S	C	.	.	H	α-helix	trans	-65.2	-42.3	175.3	175.6	78.5	0	0	0	112.4	D196 K197 W198 L202 G203	D196-W200 WeakPolarHBondContact O-CB 3.44Å; D196-W200 PolarHBondContact O-N 3.28Å; K197-W200 PolarHBondContact O-N 3.26Å; W198-W200 VanDerWaalsContact C-N 3.31Å; W198-W200 PolarHBondContact O-N 2.87Å; W200-L202 PolarHBondContact O-N 3.49Å; W200-G203 PolarHBondContact O-N 3.3Å
201	M	86.4	Confident	92.2	Very high	66 Å²	66	40.1 Å²	40.1	33%	0.325	20%	0.197	S	C	.	.	H	α-helix	trans	-60.9	-31.6	176.8	-73.7	177.1	61.8	0	0	112.9	K197 W198 G203	K197-M201 HydrophobicContact CD-SD 4.46Å; K197-M201 HydrophobicContact CG-CG 4.5Å; K197-M201 HydrophobicContact CG-SD 4.03Å; K197-M201 WeakPolarHBondContact O-CG 3.16Å; K197-M201 PolarHBondContact O-N 2.91Å; W198-M201 PolarHBondContact O-N 3.47Å; M201-G203 PolarHBondContact O-N 3.49Å
202	L	86.4	Confident	92.3	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.016	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	2.4	175.1	-68.2	170.1	0	0	0	113.3	L155 A158 F164 K166 S167 Y168 L169 W198 L199 W200	L155-L202 HydrophobicContact CD2-CD1 3.83Å; A158-L202 HydrophobicContact CB-CD1 4.31Å; F164-L202 HydrophobicContact CB-CD2 4.04Å; K166-L202 CarbonylContact O-C 3.57Å; K166-L202 VanDerWaalsContact O-C 3.23Å; S167-L202 CarbonylContact C-O 3.55Å; Y168-L202 PolarHBondContact N-O 2.82Å; L169-L202 HydrophobicContact CB-CB 4.32Å; L169-L202 HydrophobicContact CD1-CB 3.82Å; L169-L202 HydrophobicContact CD1-CD1 3.9Å; L169-L202 HydrophobicContact CG-CB 3.96Å; L169-L202 PolarHBondContact N-O 3.24Å; W198-L202 WeakPolarHBondContact O-CG 3.35Å; W198-L202 PolarHBondContact O-N 3.5Å; W198-L202 VanDerWaalsContact O-N 3.08Å; L199-L202 PolarHBondContact O-N 2.83Å; W200-L202 PolarHBondContact O-N 3.49Å
203	G	86.3	Confident	92.2	Very high	27 Å²	27	42.3 Å²	42.3	28%	0.278	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	5.9	174.6	0	0	0	0	0	115.2	K166 K170 L199 W200 M201	K166-G203 WeakPolarHBondContact O-CA 3.24Å; K166-G203 PolarHBondContact O-N 3.29Å; K170-G203 VanDerWaalsContact CA-O 3.3Å; K170-G203 WeakPolarHBondContact CA-O 3.33Å; L199-G203 PolarHBondContact O-N 2.86Å; W200-G203 PolarHBondContact O-N 3.3Å; M201-G203 PolarHBondContact O-N 3.49Å
204	A	89.9	Confident	92.1	Very high	5 Å²	5	39.3 Å²	39.3	4%	0.041	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-66.4	149.1	178.3	0	0	0	0	0	112.3	L169 M172 Y174 L199	L169-A204 HydrophobicContact CB-CB 3.87Å; L169-A204 HydrophobicContact CD1-CB 4.47Å; L169-A204 WeakPolarHBondContact O-CA 3.41Å; M172-A204 HydrophobicContact CB-CB 4.23Å; M172-A204 HydrophobicContact CE-CB 3.72Å; Y174-A204 HydrophobicContact CD1-CB 3.53Å; Y174-A204 HydrophobicContact CE1-CB 3.59Å; L199-A204 HydrophobicContact CB-CB 4.27Å; L199-A204 WeakPolarHBondContact O-CB 3.33Å; L199-A204 PolarHBondContact O-N 2.9Å
205	H	90.3	Very high	91.8	Very high	85 Å²	85	40.1 Å²	40.1	39%	0.394	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	121.6	-175.6	-173.4	-80.8	0	0	0	112.2	M172 R173 Y174 S251	M172-H205 PolarHBondContact O-N 3.12Å; R173-H205 CarbonylContact C-O 3.49Å; R173-H205 VanDerWaalsContact CA-O 3.31Å; R173-H205 WeakPolarHBondContact CA-O 3.36Å; Y174-H205 WeakPolarHBondContact CD1-O 3.48Å; Y174-H205 PolarHBondContact N-O 3.32Å; H205-S251 VanDerWaalsContact NE2-CB 3.26Å; H205-S251 WeakPolarHBondContact NE2-CB 3.25Å
206	R	93.3	Very high	91.4	Very high	81 Å²	81	41.7 Å²	41.7	31%	0.306	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	126.8	176.5	-67.5	173.3	-169	-158.1	-11	111	Y174 D196	Y174-R206 HydrophobicContact CD1-CG 4.49Å; Y174-R206 HydrophobicContact CE1-CB 4.48Å; Y174-R206 HydrophobicContact CE1-CG 3.61Å; Y174-R206 HydrophobicContact CE2-CG 4.02Å; Y174-R206 CarbonylContact O-C 3.57Å; Y174-R206 WeakPolarHBondContact O-CA 3.03Å; Y174-R206 WeakPolarHBondContact OH-CG 3.44Å; Y174-R206 PolarHBondContact OH-NE 2.84Å; D196-R206 PolarHBondContact O-NH2 2.9Å; D196-R206 IonicContact OD1-CZ 3.89Å; D196-R206 IonicContact OD1-NE 3.96Å; D196-R206 PolarHBondContact OD1-NE 3.33Å; D196-R206 VanDerWaalsContact OD1-NE 3.08Å; D196-R206 IonicContact OD1-NH1 3.42Å; D196-R206 IonicContact OD1-NH2 2.67Å; D196-R206 PolarHBondContact OD1-NH2 3.5Å; D196-R206 VanDerWaalsContact OD1-NH2 3.08Å; D196-R206 IonicContact OD2-CZ 2.91Å; D196-R206 IonicContact OD2-NE 3.67Å; D196-R206 IonicContact OD2-NH1 3.64Å; D196-R206 PolarHBondContact OD2-NH1 3.33Å; D196-R206 VanDerWaalsContact OD2-NH1 3.08Å; D196-R206 IonicContact OD2-NH2 2.68Å; D196-R206 PolarHBondContact OD2-NH2 3.48Å
207	V	92.5	Very high	90.9	Very high	21 Å²	21	46 Å²	46	13%	0.127	24%	0.238	C	C	.	.	S	Bend	trans	-75.8	-37	172.1	174.2	0	0	0	0	111	V131 R173 Y174 Q239 L243	V131-V207 HydrophobicContact CG1-CG2 3.96Å; R173-V207 HydrophobicContact CB-CG2 3.91Å; Y174-V207 PolarHBondContact O-N 2.75Å; V207-Q239 HydrophobicContact CG1-CB 4.16Å; V207-L243 HydrophobicContact CG1-CD1 3.7Å; V207-L243 HydrophobicContact CG2-CD1 4.16Å
208	M	91.4	Very high	90.4	Very high	24 Å²	24	47.2 Å²	47.2	12%	0.118	25%	0.254	C	S	.	.	S	Bend	trans	-152.8	171.1	178.1	65	178.7	-66.2	0	0	111	A175 W232 K235 F236	A175-M208 HydrophobicContact CB-CG 4.14Å; M208-W232 HydrophobicContact CE-CG 4.28Å; M208-W232 HydrophobicContact SD-CZ2 4.17Å; M208-K235 HydrophobicContact CE-CB 3.74Å; M208-F236 VanDerWaalsContact SD-CA 3.52Å; M208-F236 HydrophobicContact SD-CB 3.57Å; M208-F236 VanDerWaalsContact SD-CB 3.57Å; M208-F236 HydrophobicContact SD-CD2 3.79Å; M208-F236 HydrophobicContact SD-CG 4.19Å
209	S	90.8	Very high	89.9	Confident	91 Å²	91	52.7 Å²	52.7	64%	0.636	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-59.7	139.7	173.3	57	0	0	0	0	111.4	G211	S209-G211 PolarHBondContact O-N 3.14Å
210	R	95.5	Very high	89.6	Confident	48 Å²	48	53.3 Å²	53.3	18%	0.181	28%	0.283	C	S	.	.	P	Polyproline II helix	trans	-51.3	131.8	171.9	178.2	-175.3	67.4	-109.1	-2.1	110.3	V176 G192 D196 E212	V176-R210 HydrophobicContact CB-CG 4.16Å; V176-R210 HydrophobicContact CG1-CG 4.25Å; V176-R210 CarbonylContact O-C 3.54Å; V176-R210 WeakPolarHBondContact O-CA 3.4Å; G192-R210 WeakPolarHBondContact O-CD 3.49Å; D196-R210 HydrophobicContact CB-CG 4.49Å; D196-R210 IonicContact OD2-CZ 2.66Å; D196-R210 IonicContact OD2-NH1 3.66Å; D196-R210 PolarHBondContact OD2-NH1 2.94Å; R210-E212 IonicContact CZ-OE1 2.73Å; R210-E212 IonicContact NE-OE1 3.92Å; R210-E212 PolarHBondContact NE-OE1 3.31Å; R210-E212 IonicContact NH2-OE1 3.24Å; R210-E212 PolarHBondContact NH2-OE1 2.93Å
211	G	94.3	Very high	89.2	Confident	8 Å²	8	54.9 Å²	54.9	8%	0.082	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	143.9	169.2	0	0	0	0	0	111.4	V176 G178 S209 W232	V176-G211 PolarHBondContact O-N 3.35Å; G178-G211 PolarHBondContact N-O 2.8Å; S209-G211 PolarHBondContact O-N 3.14Å; G211-W232 VanDerWaalsContact CA-CD1 3.46Å
212	E	94.6	Very high	89.2	Confident	50 Å²	50	56.5 Å²	56.5	23%	0.234	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	99.7	177.7	-63.7	-173.8	168.7	0	0	107.5	F188 N189 K193 R210	F188-E212 HydrophobicContact CE1-CB 4.33Å; F188-E212 HydrophobicContact CZ-CB 4.29Å; N189-E212 HydrophobicContact CB-CB 4.47Å; N189-E212 HydrophobicContact CB-CG 4.29Å; K193-E212 WeakPolarHBondContact CE-OE1 2.85Å; K193-E212 IonicContact NZ-OE1 3.84Å; R210-E212 IonicContact CZ-OE1 2.73Å; R210-E212 IonicContact NE-OE1 3.92Å; R210-E212 PolarHBondContact NE-OE1 3.31Å; R210-E212 IonicContact NH2-OE1 3.24Å; R210-E212 PolarHBondContact NH2-OE1 2.93Å
213	G	92.9	Very high	89.1	Confident	0 Å²	0	58 Å²	58	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	137.6	174.1	0	0	0	0	0	110.8	G178 G180 N189	G178-G213 PolarHBondContact O-N 2.83Å; G180-G213 PolarHBondContact N-O 2.72Å; N189-G213 PolarHBondContact ND2-O 2.76Å
214	D	92.4	Very high	89.3	Confident	6 Å²	6	58.2 Å²	58.2	3%	0.032	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.4	-177.3	-164.7	0.6	0	0	0	112.3	G180 N181 S182 F188 D216 I225 D228	G180-D214 WeakPolarHBondContact O-CA 3.37Å; N181-D214 WeakPolarHBondContact CA-OD1 3.33Å; S182-D214 WeakPolarHBondContact CB-OD2 3.24Å; S182-D214 PolarHBondContact N-OD1 3.21Å; S182-D214 PolarHBondContact OG-OD1 3.47Å; S182-D214 PolarHBondContact OG-OD2 2.67Å; F188-D214 HydrophobicContact CE2-CB 3.83Å; F188-D214 HydrophobicContact CZ-CB 4.01Å; D214-D216 VanDerWaalsContact C-N 3.27Å; D214-D216 WeakPolarHBondContact OD1-CB 3.06Å; D214-D216 PolarHBondContact OD1-N 3.38Å; D214-I225 WeakPolarHBondContact O-CA 3.25Å; D214-I225 WeakPolarHBondContact O-CB 3.3Å; D214-I225 PolarHBondContact O-N 3.41Å; D214-I225 VanDerWaalsContact O-N 3.14Å; D214-D228 PolarHBondContact N-OD2 3.02Å
215	C	88.9	Confident	89.4	Confident	67 Å²	67	58.4 Å²	58.4	45%	0.453	31%	0.314	S	S	.	.	S	Bend	trans	-73.5	-17.7	172.4	-60.9	0	0	0	0	113	G180 N181 V217 I225	G180-C215 PolarHBondContact O-N 2.79Å; G180-C215 PolarHBondContact O-SG 3.16Å; N181-C215 HydrophobicContact CB-CB 4.04Å; C215-V217 PolarHBondContact O-N 3.45Å; C215-V217 VanDerWaalsContact O-N 3.17Å; C215-I225 VanDerWaalsContact SG-CD1 3.58Å
216	D	88.1	Confident	89.6	Confident	32 Å²	32	58.6 Å²	58.6	17%	0.171	31%	0.314	C	S	.	.			trans	-75.3	100.2	172.3	-174.5	-10.1	0	0	0	109.3	S182 D214 V218 K219 S220	S182-D216 WeakPolarHBondContact OG-CB 3.38Å; D214-D216 VanDerWaalsContact C-N 3.27Å; D214-D216 WeakPolarHBondContact OD1-CB 3.06Å; D214-D216 PolarHBondContact OD1-N 3.38Å; D216-V218 PolarHBondContact O-N 3Å; D216-V218 VanDerWaalsContact O-N 3.13Å; D216-V218 WeakPolarHBondContact OD1-CB 3.35Å; D216-V218 PolarHBondContact OD1-N 2.95Å; D216-K219 HydrophobicContact CB-CB 4.36Å; D216-K219 PolarHBondContact O-N 3.07Å; D216-K219 VanDerWaalsContact O-N 3.14Å; D216-K219 WeakPolarHBondContact OD2-CD 3.12Å; D216-S220 VanDerWaalsContact O-CB 3.28Å; D216-S220 WeakPolarHBondContact O-CB 3.02Å; D216-S220 PolarHBondContact O-N 2.86Å
217	V	83.8	Confident	89.5	Confident	95 Å²	95	55.5 Å²	55.5	58%	0.576	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-33	-180	167.8	0	0	0	0	112.4	C215 G223	C215-V217 PolarHBondContact O-N 3.45Å; C215-V217 VanDerWaalsContact O-N 3.17Å; V217-G223 WeakPolarHBondContact CG1-O 3.37Å
218	V	82.8	Confident	89.5	Confident	132 Å²	132	54.9 Å²	54.9	80%	0.8	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-34.7	-176	-177.8	0	0	0	0	111.4	D216	D216-V218 PolarHBondContact O-N 3Å; D216-V218 VanDerWaalsContact O-N 3.13Å; D216-V218 WeakPolarHBondContact OD1-CB 3.35Å; D216-V218 PolarHBondContact OD1-N 2.95Å
219	K	83.3	Confident	89.7	Confident	134 Å²	134	54.1 Å²	54.1	58%	0.583	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-10.9	-176.1	-68.9	-177.6	-177.3	170	0	113.8	S182 D216	S182-K219 VanDerWaalsContact OG-CB 3.25Å; S182-K219 WeakPolarHBondContact OG-CB 3.46Å; S182-K219 WeakPolarHBondContact OG-CD 3.23Å; D216-K219 HydrophobicContact CB-CB 4.36Å; D216-K219 PolarHBondContact O-N 3.07Å; D216-K219 VanDerWaalsContact O-N 3.14Å; D216-K219 WeakPolarHBondContact OD2-CD 3.12Å
220	S	86.3	Confident	89.9	Confident	13 Å²	13	56.6 Å²	56.6	9%	0.091	29%	0.294	C	S	.	.			trans	-58.5	135.7	173.9	170.7	0	0	0	0	110.5	D216 H222 G223 S224 D228	D216-S220 VanDerWaalsContact O-CB 3.28Å; D216-S220 WeakPolarHBondContact O-CB 3.02Å; D216-S220 PolarHBondContact O-N 2.86Å; S220-H222 PolarHBondContact O-N 2.89Å; S220-H222 PolarHBondContact OG-N 2.92Å; S220-G223 PolarHBondContact O-N 3.17Å; S220-G223 PolarHBondContact OG-N 3.25Å; S220-S224 PolarHBondContact OG-N 3.48Å; S220-S224 PolarHBondContact OG-O 2.81Å; S220-D228 PolarHBondContact OG-OD1 3.31Å; S220-D228 PolarHBondContact OG-OD2 3.09Å
221	K	84	Confident	89.8	Confident	165 Å²	165	55.5 Å²	55.5	72%	0.717	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.3	-177.6	-68.1	-178.6	178.4	-179.2	0	112.5	D228	K221-D228 PolarHBondContact N-OD1 2.93Å
222	H	86.3	Confident	89.9	Confident	100 Å²	100	55.8 Å²	55.8	46%	0.463	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	17.9	-179.6	-51.1	83.9	0	0	0	112.4	S220 S224 A227 D228	S220-H222 PolarHBondContact O-N 2.89Å; S220-H222 PolarHBondContact OG-N 2.92Å; H222-S224 VanDerWaalsContact C-N 3.31Å; H222-S224 PolarHBondContact O-N 2.85Å; H222-A227 HydrophobicContact CB-CB 3.66Å; H222-A227 WeakPolarHBondContact O-CB 3.41Å; H222-D228 IonicContact CE1-OD1 3.51Å; H222-D228 IonicContact CG-OD1 3.54Å; H222-D228 PolarHBondContact N-OD1 3.41Å; H222-D228 IonicContact ND1-OD1 2.75Å; H222-D228 PolarHBondContact ND1-OD1 3.31Å
223	G	83.8	Confident	89.9	Confident	35 Å²	35	55.6 Å²	55.6	36%	0.361	29%	0.292	S	S	.	.	S	Bend	trans	80.1	-4.5	174.6	0	0	0	0	0	116	V217 S220	V217-G223 WeakPolarHBondContact CG1-O 3.37Å; S220-G223 PolarHBondContact O-N 3.17Å; S220-G223 PolarHBondContact OG-N 3.25Å
224	S	90.9	Very high	90	Very high	30 Å²	30	59.9 Å²	59.9	21%	0.21	32%	0.318	C	S	.	.	S	Bend	trans	-163.2	161.8	167.7	95.2	0	0	0	0	111.1	S220 H222 E226 A227 D228	S220-S224 PolarHBondContact OG-N 3.48Å; S220-S224 PolarHBondContact OG-O 2.81Å; H222-S224 VanDerWaalsContact C-N 3.31Å; H222-S224 PolarHBondContact O-N 2.85Å; S224-E226 VanDerWaalsContact C-N 3.28Å; S224-E226 WeakPolarHBondContact CB-OE2 3.38Å; S224-E226 PolarHBondContact O-N 3Å; S224-E226 PolarHBondContact OG-N 2.59Å; S224-E226 PolarHBondContact OG-OE2 3.16Å; S224-A227 PolarHBondContact O-N 2.83Å; S224-A227 VanDerWaalsContact O-N 3.13Å; S224-A227 PolarHBondContact OG-N 3.23Å; S224-A227 VanDerWaalsContact OG-N 3.11Å; S224-D228 PolarHBondContact O-N 3.16Å
225	I	91.9	Very high	90.1	Very high	10 Å²	10	65.8 Å²	65.8	5%	0.051	34%	0.344	C	S	.	.	H	α-helix	trans	-62.5	-34.8	175.7	-168.1	164.3	0	0	0	112.5	F93 L179 D214 C215 F229	F93-I225 HydrophobicContact CE2-CG1 4.11Å; F93-I225 HydrophobicContact CZ-CG1 4.41Å; F93-I225 HydrophobicContact CZ-CG2 4.4Å; L179-I225 HydrophobicContact CB-CD1 3.74Å; L179-I225 HydrophobicContact CD2-CD1 3.93Å; L179-I225 HydrophobicContact CG-CD1 3.84Å; D214-I225 WeakPolarHBondContact O-CA 3.25Å; D214-I225 WeakPolarHBondContact O-CB 3.3Å; D214-I225 PolarHBondContact O-N 3.41Å; D214-I225 VanDerWaalsContact O-N 3.14Å; C215-I225 VanDerWaalsContact SG-CD1 3.58Å; I225-F229 VanDerWaalsContact O-CB 3.31Å; I225-F229 WeakPolarHBondContact O-CB 3.2Å; I225-F229 PolarHBondContact O-N 3.49Å
226	E	93.1	Very high	90.3	Very high	88 Å²	88	62.6 Å²	62.6	41%	0.411	32%	0.322	S	S	.	.	H	α-helix	trans	-67.3	-37.9	174.3	-60.2	74	-163.1	0	0	111.5	F93 S224 R230	F93-E226 HydrophobicContact CE1-CG 4.09Å; F93-E226 HydrophobicContact CZ-CG 4.13Å; S224-E226 VanDerWaalsContact C-N 3.28Å; S224-E226 WeakPolarHBondContact CB-OE2 3.38Å; S224-E226 PolarHBondContact O-N 3Å; S224-E226 PolarHBondContact OG-N 2.59Å; S224-E226 PolarHBondContact OG-OE2 3.16Å; E226-R230 WeakPolarHBondContact O-CB 3.37Å; E226-R230 PolarHBondContact O-N 2.86Å
227	A	91.6	Very high	90.6	Very high	16 Å²	16	62.4 Å²	62.4	13%	0.132	32%	0.321	C	S	.	.	H	α-helix	trans	-70.8	-41.8	176.9	0	0	0	0	0	111.7	H222 S224 F229 R230 A231	H222-A227 HydrophobicContact CB-CB 3.66Å; H222-A227 WeakPolarHBondContact O-CB 3.41Å; S224-A227 PolarHBondContact O-N 2.83Å; S224-A227 VanDerWaalsContact O-N 3.13Å; S224-A227 PolarHBondContact OG-N 3.23Å; S224-A227 VanDerWaalsContact OG-N 3.11Å; A227-F229 VanDerWaalsContact C-N 3.33Å; A227-F229 PolarHBondContact O-N 3.23Å; A227-R230 PolarHBondContact O-N 3.48Å; A227-A231 PolarHBondContact O-N 3.3Å
228	D	92.8	Very high	91	Very high	9 Å²	9	61 Å²	61	5%	0.048	32%	0.315	C	S	.	.	H	α-helix	trans	-59	-45.3	171.8	-72.4	-32.4	0	0	0	111.1	F177 D214 S220 K221 H222 S224 A231 W232	F177-D228 HydrophobicContact CZ-CB 4.44Å; D214-D228 PolarHBondContact N-OD2 3.02Å; S220-D228 PolarHBondContact OG-OD1 3.31Å; S220-D228 PolarHBondContact OG-OD2 3.09Å; K221-D228 PolarHBondContact N-OD1 2.93Å; H222-D228 IonicContact CE1-OD1 3.51Å; H222-D228 IonicContact CG-OD1 3.54Å; H222-D228 PolarHBondContact N-OD1 3.41Å; H222-D228 IonicContact ND1-OD1 2.75Å; H222-D228 PolarHBondContact ND1-OD1 3.31Å; S224-D228 PolarHBondContact O-N 3.16Å; D228-A231 PolarHBondContact O-N 2.87Å; D228-W232 WeakPolarHBondContact O-CB 3.24Å; D228-W232 PolarHBondContact O-N 3.15Å
229	F	95.7	Very high	91.3	Very high	8 Å²	8	57.7 Å²	57.7	4%	0.035	29%	0.291	C	S	.	.	H	α-helix	trans	-63.1	-42.9	175.4	174.8	-109.8	0	0	0	111.8	F93 V96 L97 L135 F177 I225 A227 A231 W232 K233	F93-F229 HydrophobicContact CB-CD1 4.23Å; F93-F229 HydrophobicContact CB-CD2 4.17Å; F93-F229 HydrophobicContact CB-CE1 3.88Å; F93-F229 HydrophobicContact CB-CE2 3.83Å; F93-F229 HydrophobicContact CB-CG 4.35Å; F93-F229 HydrophobicContact CB-CZ 3.68Å; F93-F229 AromaticContact CD1-CD1 3.7Å; F93-F229 HydrophobicContact CD1-CD1 3.7Å; F93-F229 AromaticContact CD1-CE1 3.96Å; F93-F229 HydrophobicContact CD1-CE1 3.96Å; F93-F229 HydrophobicContact CD1-CG 4.13Å; F93-F229 HydrophobicContact CD2-CB 4.05Å; F93-F229 HydrophobicContact CD2-CD1 4.17Å; F93-F229 AromaticContact CD2-CD2 3.89Å; F93-F229 HydrophobicContact CD2-CD2 3.89Å; F93-F229 HydrophobicContact CD2-CE2 4.41Å; F93-F229 AromaticContact CD2-CG 3.75Å; F93-F229 HydrophobicContact CD2-CG 3.75Å; F93-F229 HydrophobicContact CE1-CB 4.46Å; F93-F229 HydrophobicContact CE1-CD1 4.06Å; F93-F229 HydrophobicContact CE1-CG 4.37Å; F93-F229 HydrophobicContact CE2-CB 3.8Å; F93-F229 HydrophobicContact CE2-CD1 4.49Å; F93-F229 HydrophobicContact CE2-CD2 4.49Å; F93-F229 HydrophobicContact CE2-CG 4.02Å; F93-F229 HydrophobicContact CG-CB 4.5Å; F93-F229 AromaticContact CG-CD1 3.77Å; F93-F229 HydrophobicContact CG-CD1 3.77Å; F93-F229 HydrophobicContact CG-CD2 4.05Å; F93-F229 AromaticContact CG-CE1 3.93Å; F93-F229 HydrophobicContact CG-CE1 3.93Å; F93-F229 HydrophobicContact CG-CE2 4.21Å; F93-F229 AromaticContact CG-CG 3.83Å; F93-F229 HydrophobicContact CG-CG 3.83Å; F93-F229 HydrophobicContact CG-CZ 4.14Å; F93-F229 HydrophobicContact CZ-CB 4.02Å; F93-F229 HydrophobicContact CZ-CD1 4.44Å; F93-F229 HydrophobicContact CZ-CG 4.32Å; F93-F229 VanDerWaalsContact O-CZ 3.31Å; F93-F229 WeakPolarHBondContact O-CZ 3.29Å; V96-F229 HydrophobicContact CB-CE1 4.25Å; V96-F229 HydrophobicContact CG1-CE1 3.97Å; L97-F229 HydrophobicContact CB-CZ 4.16Å; L135-F229 HydrophobicContact CD2-CE2 4.39Å; F177-F229 HydrophobicContact CD1-CD2 4.05Å; F177-F229 HydrophobicContact CD2-CD2 4.46Å; F177-F229 HydrophobicContact CE1-CB 3.95Å; F177-F229 AromaticContact CE1-CD2 3.98Å; F177-F229 HydrophobicContact CE1-CD2 3.98Å; F177-F229 HydrophobicContact CE1-CG 4.42Å; F177-F229 HydrophobicContact CE2-CB 4.33Å; F177-F229 HydrophobicContact CE2-CD2 4.41Å; F177-F229 HydrophobicContact CG-CD2 4.3Å; F177-F229 VanDerWaalsContact CZ-CA 3.47Å; F177-F229 HydrophobicContact CZ-CB 3.68Å; F177-F229 HydrophobicContact CZ-CD2 4.18Å; F177-F229 HydrophobicContact CZ-CG 4.45Å; I225-F229 VanDerWaalsContact O-CB 3.31Å; I225-F229 WeakPolarHBondContact O-CB 3.2Å; I225-F229 PolarHBondContact O-N 3.49Å; A227-F229 VanDerWaalsContact C-N 3.33Å; A227-F229 PolarHBondContact O-N 3.23Å; F229-A231 PolarHBondContact O-N 3.31Å; F229-W232 HydrophobicContact CD2-CE3 4.17Å; F229-W232 HydrophobicContact CE2-CE3 4.08Å; F229-W232 HydrophobicContact CE2-CZ3 4.13Å; F229-W232 PolarHBondContact O-N 3.02Å; F229-K233 HydrophobicContact CE1-CD 4.2Å; F229-K233 HydrophobicContact CZ-CB 4.45Å; F229-K233 HydrophobicContact CZ-CD 4.3Å; F229-K233 VanDerWaalsContact O-CB 3.22Å; F229-K233 WeakPolarHBondContact O-CB 3.29Å; F229-K233 PolarHBondContact O-N 3.24Å
230	R	94.4	Very high	91.7	Very high	143 Å²	143	51.3 Å²	51.3	54%	0.54	26%	0.263	S	S	.	.	H	α-helix	trans	-60.8	-46	177.9	-169.9	-176.6	-59.6	104.2	2.4	111.3	E226 A227 W232 K233 T234	E226-R230 WeakPolarHBondContact O-CB 3.37Å; E226-R230 PolarHBondContact O-N 2.86Å; A227-R230 PolarHBondContact O-N 3.48Å; R230-W232 PolarHBondContact O-N 2.95Å; R230-K233 PolarHBondContact O-N 3.35Å; R230-T234 PolarHBondContact O-N 3.41Å; R230-T234 PolarHBondContact O-OG1 3.37Å; R230-T234 VanDerWaalsContact O-OG1 3.09Å
231	A	93.8	Very high	91.8	Very high	25 Å²	25	54.4 Å²	54.4	21%	0.207	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-42.5	177.2	0	0	0	0	0	112	A227 D228 F229 K235	A227-A231 PolarHBondContact O-N 3.3Å; D228-A231 PolarHBondContact O-N 2.87Å; F229-A231 PolarHBondContact O-N 3.31Å; A231-K235 WeakPolarHBondContact O-CG 3Å; A231-K235 PolarHBondContact O-N 2.96Å
232	W	96.2	Very high	92	Very high	13 Å²	13	47.5 Å²	47.5	5%	0.049	25%	0.25	C	C	.	.	H	α-helix	trans	-66.2	-43.2	175.4	179.8	89.2	0	0	0	112.4	L97 V133 L135 A175 F177 M208 G211 D228 F229 R230 T234 K235 F236	L97-W232 HydrophobicContact CD2-CZ3 4.26Å; V133-W232 HydrophobicContact CG1-CH2 3.7Å; L135-W232 HydrophobicContact CD2-CH2 4.33Å; L135-W232 HydrophobicContact CD2-CZ3 4.24Å; A175-W232 HydrophobicContact CB-CZ2 3.97Å; F177-W232 HydrophobicContact CB-CD2 4.19Å; F177-W232 HydrophobicContact CB-CE3 4.24Å; F177-W232 HydrophobicContact CB-CH2 4.21Å; F177-W232 HydrophobicContact CB-CZ2 4.11Å; F177-W232 HydrophobicContact CB-CZ3 4.26Å; F177-W232 HydrophobicContact CD2-CB 3.8Å; F177-W232 AromaticContact CD2-CD1 3.93Å; F177-W232 AromaticContact CD2-CD2 3.52Å; F177-W232 HydrophobicContact CD2-CD2 3.52Å; F177-W232 AromaticContact CD2-CE3 3.9Å; F177-W232 HydrophobicContact CD2-CE3 3.9Å; F177-W232 AromaticContact CD2-CG 3.47Å; F177-W232 HydrophobicContact CD2-CG 3.47Å; F177-W232 VanDerWaalsContact CD2-CG 3.47Å; F177-W232 HydrophobicContact CE2-CB 3.7Å; F177-W232 HydrophobicContact CE2-CD2 4.33Å; F177-W232 AromaticContact CE2-CG 3.91Å; F177-W232 HydrophobicContact CE2-CG 3.91Å; F177-W232 HydrophobicContact CG-CD2 4.21Å; F177-W232 HydrophobicContact CG-CE3 4.27Å; M208-W232 HydrophobicContact CE-CG 4.28Å; M208-W232 HydrophobicContact SD-CZ2 4.17Å; G211-W232 VanDerWaalsContact CA-CD1 3.46Å; D228-W232 WeakPolarHBondContact O-CB 3.24Å; D228-W232 PolarHBondContact O-N 3.15Å; F229-W232 HydrophobicContact CD2-CE3 4.17Å; F229-W232 HydrophobicContact CE2-CE3 4.08Å; F229-W232 HydrophobicContact CE2-CZ3 4.13Å; F229-W232 PolarHBondContact O-N 3.02Å; R230-W232 PolarHBondContact O-N 2.95Å; W232-T234 PolarHBondContact O-N 3.44Å; W232-K235 WeakPolarHBondContact O-CB 3.36Å; W232-K235 PolarHBondContact O-N 2.86Å; W232-F236 HydrophobicContact CH2-CB 4.31Å; W232-F236 HydrophobicContact CH2-CD2 4.31Å; W232-F236 HydrophobicContact CH2-CG 4.21Å; W232-F236 HydrophobicContact CZ2-CD2 4.45Å; W232-F236 HydrophobicContact CZ3-CB 4.34Å; W232-F236 PolarHBondContact O-N 3.4Å
233	K	95.7	Very high	92	Very high	46 Å²	46	44.8 Å²	44.8	20%	0.2	24%	0.239	C	C	.	.	H	α-helix	trans	-57.8	-48.1	177.7	-178.4	179.2	77.7	164.7	0	111.1	V96 L97 A100 F229 R230 K235 F236 I237	V96-K233 HydrophobicContact CG1-CD 4.2Å; L97-K233 HydrophobicContact CD1-CD 4.43Å; L97-K233 HydrophobicContact CD1-CG 3.95Å; A100-K233 HydrophobicContact CB-CD 4.26Å; F229-K233 HydrophobicContact CE1-CD 4.2Å; F229-K233 HydrophobicContact CZ-CB 4.45Å; F229-K233 HydrophobicContact CZ-CD 4.3Å; F229-K233 VanDerWaalsContact O-CB 3.22Å; F229-K233 WeakPolarHBondContact O-CB 3.29Å; F229-K233 PolarHBondContact O-N 3.24Å; R230-K233 PolarHBondContact O-N 3.35Å; K233-K235 VanDerWaalsContact C-N 3.29Å; K233-K235 PolarHBondContact O-N 2.82Å; K233-F236 PolarHBondContact O-N 2.98Å; K233-F236 VanDerWaalsContact O-N 3.16Å; K233-I237 HydrophobicContact CG-CG1 4.31Å; K233-I237 WeakPolarHBondContact O-CG1 3.36Å; K233-I237 PolarHBondContact O-N 3.5Å
234	T	94.1	Very high	91.9	Very high	91 Å²	91	47 Å²	47	56%	0.558	24%	0.24	S	C	*	.	H	α-helix	trans	-58.6	-42.6	178.2	-58.1	0	0	0	0	111.5	R230 W232 S238	R230-T234 PolarHBondContact O-N 3.41Å; R230-T234 PolarHBondContact O-OG1 3.37Å; R230-T234 VanDerWaalsContact O-OG1 3.09Å; W232-T234 PolarHBondContact O-N 3.44Å; T234-S238 PolarHBondContact O-N 3.26Å; T234-S238 VanDerWaalsContact O-N 3.12Å
235	K	93.9	Very high	91.5	Very high	130 Å²	130	52.9 Å²	52.9	57%	0.565	26%	0.261	S	S	*	.	H	α-helix	trans	-64.4	-44.3	175.3	-69.5	176.5	-177.9	179.2	0	111.8	M208 A231 W232 K233 S238 Q239	M208-K235 HydrophobicContact CE-CB 3.74Å; A231-K235 WeakPolarHBondContact O-CG 3Å; A231-K235 PolarHBondContact O-N 2.96Å; W232-K235 WeakPolarHBondContact O-CB 3.36Å; W232-K235 PolarHBondContact O-N 2.86Å; K233-K235 VanDerWaalsContact C-N 3.29Å; K233-K235 PolarHBondContact O-N 2.82Å; K235-S238 PolarHBondContact O-N 2.88Å; K235-Q239 WeakPolarHBondContact O-CG 3.42Å; K235-Q239 PolarHBondContact O-N 3.19Å
236	F	94.1	Very high	90.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-61.2	-47	178.6	178.1	-101.6	0	0	0	112.2	V79 L97 V101 V131 V133 A175 M208 W232 K233 S238 Q239 L240	V79-F236 HydrophobicContact CG1-CZ 4.42Å; L97-F236 HydrophobicContact CD1-CD1 3.83Å; L97-F236 HydrophobicContact CD1-CE1 4.17Å; V101-F236 HydrophobicContact CG2-CE1 4.45Å; V131-F236 HydrophobicContact CG1-CE2 4.04Å; V131-F236 HydrophobicContact CG1-CZ 4.01Å; V133-F236 HydrophobicContact CG2-CE1 3.95Å; V133-F236 HydrophobicContact CG2-CE2 3.72Å; V133-F236 HydrophobicContact CG2-CZ 3.3Å; A175-F236 HydrophobicContact CB-CD2 3.95Å; A175-F236 HydrophobicContact CB-CE2 3.82Å; M208-F236 VanDerWaalsContact SD-CA 3.52Å; M208-F236 HydrophobicContact SD-CB 3.57Å; M208-F236 VanDerWaalsContact SD-CB 3.57Å; M208-F236 HydrophobicContact SD-CD2 3.79Å; M208-F236 HydrophobicContact SD-CG 4.19Å; W232-F236 HydrophobicContact CH2-CB 4.31Å; W232-F236 HydrophobicContact CH2-CD2 4.31Å; W232-F236 HydrophobicContact CH2-CG 4.21Å; W232-F236 HydrophobicContact CZ2-CD2 4.45Å; W232-F236 HydrophobicContact CZ3-CB 4.34Å; W232-F236 PolarHBondContact O-N 3.4Å; K233-F236 PolarHBondContact O-N 2.98Å; K233-F236 VanDerWaalsContact O-N 3.16Å; F236-S238 VanDerWaalsContact C-N 3.34Å; F236-S238 PolarHBondContact O-N 3.04Å; F236-Q239 PolarHBondContact O-N 3.31Å; F236-Q239 VanDerWaalsContact O-N 3.17Å; F236-L240 HydrophobicContact CE1-CD2 4.09Å; F236-L240 HydrophobicContact CZ-CD2 4.49Å; F236-L240 WeakPolarHBondContact O-CB 3.34Å; F236-L240 PolarHBondContact O-N 2.97Å
237	I	93.4	Very high	89.2	Confident	27 Å²	27	54.8 Å²	54.8	14%	0.138	28%	0.277	C	S	.	.	H	α-helix	trans	-60.2	-43.8	178.1	-69.2	-62.8	0	0	0	111.2	L97 A100 V101 L104 K233 Q239 L240 Q241	L97-I237 HydrophobicContact CD1-CD1 4.46Å; A100-I237 HydrophobicContact CB-CD1 3.98Å; A100-I237 HydrophobicContact CB-CG1 4.35Å; V101-I237 HydrophobicContact CG2-CD1 4.09Å; L104-I237 HydrophobicContact CD1-CD1 4.05Å; L104-I237 HydrophobicContact CD1-CG2 4.17Å; L104-I237 HydrophobicContact CD2-CG2 4.47Å; K233-I237 HydrophobicContact CG-CG1 4.31Å; K233-I237 WeakPolarHBondContact O-CG1 3.36Å; K233-I237 PolarHBondContact O-N 3.5Å; I237-Q239 VanDerWaalsContact C-N 3.35Å; I237-Q239 PolarHBondContact O-N 3.33Å; I237-L240 PolarHBondContact O-N 3.05Å; I237-Q241 WeakPolarHBondContact O-CG 3.39Å; I237-Q241 PolarHBondContact O-N 2.79Å
238	S	92.3	Very high	87.4	Confident	65 Å²	65	65.5 Å²	65.5	46%	0.455	31%	0.314	S	S	.	.	H	α-helix	trans	-60.7	-41.8	175	175.1	0	0	0	0	112.5	T234 K235 F236 A242	T234-S238 PolarHBondContact O-N 3.26Å; T234-S238 VanDerWaalsContact O-N 3.12Å; K235-S238 PolarHBondContact O-N 2.88Å; F236-S238 VanDerWaalsContact C-N 3.34Å; F236-S238 PolarHBondContact O-N 3.04Å; S238-A242 PolarHBondContact O-N 2.99Å; S238-A242 VanDerWaalsContact O-N 3.11Å
239	Q	90.4	Very high	85.4	Confident	63 Å²	63	73.4 Å²	73.4	29%	0.294	35%	0.348	S	S	.	.	H	α-helix	trans	-67	-39.4	175.5	-68.2	-58.5	-45.1	0	0	112.3	V207 K235 F236 I237 Q241 A242 L243	V207-Q239 HydrophobicContact CG1-CB 4.16Å; K235-Q239 WeakPolarHBondContact O-CG 3.42Å; K235-Q239 PolarHBondContact O-N 3.19Å; F236-Q239 PolarHBondContact O-N 3.31Å; F236-Q239 VanDerWaalsContact O-N 3.17Å; I237-Q239 VanDerWaalsContact C-N 3.35Å; I237-Q239 PolarHBondContact O-N 3.33Å; Q239-Q241 VanDerWaalsContact C-N 3.35Å; Q239-A242 PolarHBondContact O-N 3.15Å; Q239-L243 WeakPolarHBondContact O-CG 3.45Å; Q239-L243 PolarHBondContact O-N 2.96Å
240	L	90.2	Very high	82.9	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-63.5	-41.5	178.1	-172.8	62.5	0	0	0	111.4	V76 V79 V101 L104 L106 V131 F236 I237 L243 Q244	V76-L240 HydrophobicContact CG1-CD1 4.05Å; V79-L240 HydrophobicContact CG2-CD1 4.02Å; V79-L240 HydrophobicContact CG2-CD2 3.67Å; V101-L240 HydrophobicContact CG1-CD2 4.31Å; V101-L240 HydrophobicContact CG2-CD2 4.05Å; L104-L240 HydrophobicContact CD1-CD2 3.9Å; L104-L240 HydrophobicContact CD1-CG 4.37Å; L106-L240 HydrophobicContact CD1-CD1 4.18Å; L106-L240 HydrophobicContact CD1-CD2 3.78Å; L106-L240 HydrophobicContact CD1-CG 3.85Å; V131-L240 HydrophobicContact CG2-CD1 4.15Å; F236-L240 HydrophobicContact CE1-CD2 4.09Å; F236-L240 HydrophobicContact CZ-CD2 4.49Å; F236-L240 WeakPolarHBondContact O-CB 3.34Å; F236-L240 PolarHBondContact O-N 2.97Å; I237-L240 PolarHBondContact O-N 3.05Å; L240-L243 PolarHBondContact O-N 3.38Å; L240-Q244 PolarHBondContact O-N 3.39Å
241	Q	89.6	Confident	80.5	Confident	78 Å²	78	79.7 Å²	79.7	36%	0.364	39%	0.388	S	S	.	.	H	α-helix	trans	-62.4	-41.7	173.4	-72.4	174.2	-30.3	0	0	112.2	L104 I237 Q239 L243 Q244 K245	L104-Q241 HydrophobicContact CD1-CG 4.12Å; L104-Q241 HydrophobicContact CD2-CG 3.84Å; I237-Q241 WeakPolarHBondContact O-CG 3.39Å; I237-Q241 PolarHBondContact O-N 2.79Å; Q239-Q241 VanDerWaalsContact C-N 3.35Å; Q241-L243 VanDerWaalsContact C-N 3.35Å; Q241-Q244 PolarHBondContact O-N 3.44Å; Q241-K245 WeakPolarHBondContact O-CG 3.21Å; Q241-K245 PolarHBondContact O-N 3.41Å
242	A	87.5	Confident	78.3	Confident	20 Å²	20	83.5 Å²	83.5	17%	0.165	41%	0.412	C	S	.	.	H	α-helix	trans	-63.1	-41.6	175.4	0	0	0	0	0	111.7	S238 Q239 Q244 K245 G246 E247	S238-A242 PolarHBondContact O-N 2.99Å; S238-A242 VanDerWaalsContact O-N 3.11Å; Q239-A242 PolarHBondContact O-N 3.15Å; A242-Q244 VanDerWaalsContact C-N 3.34Å; A242-Q244 PolarHBondContact O-N 2.89Å; A242-K245 PolarHBondContact O-N 3.08Å; A242-G246 PolarHBondContact O-N 3.22Å; A242-E247 HydrophobicContact CB-CB 4.46Å; A242-E247 PolarHBondContact O-N 3.38Å; A242-E247 VanDerWaalsContact O-N 3.12Å
243	L	85.7	Confident	75.7	Confident	44 Å²	44	85.4 Å²	85.4	23%	0.23	44%	0.436	C	S	.	.	H	α-helix	trans	-64.3	-36.5	175.5	-72.5	175.4	0	0	0	112.8	F75 V76 V131 V207 Q239 L240 Q241 K245 G246	F75-L243 WeakPolarHBondContact CB-O 3.48Å; V76-L243 HydrophobicContact CG2-CB 3.74Å; V131-L243 HydrophobicContact CG2-CD1 4.47Å; V207-L243 HydrophobicContact CG1-CD1 3.7Å; V207-L243 HydrophobicContact CG2-CD1 4.16Å; Q239-L243 WeakPolarHBondContact O-CG 3.45Å; Q239-L243 PolarHBondContact O-N 2.96Å; L240-L243 PolarHBondContact O-N 3.38Å; Q241-L243 VanDerWaalsContact C-N 3.35Å; L243-K245 VanDerWaalsContact C-N 3.29Å; L243-K245 PolarHBondContact O-N 3.28Å; L243-G246 PolarHBondContact O-N 2.75Å
244	Q	83.1	Confident	73.1	Confident	82 Å²	82	85.7 Å²	85.7	38%	0.383	45%	0.452	S	S	.	.	H	α-helix	trans	-65.7	-33.6	176.3	-169.2	178.1	5.5	0	0	112	L240 Q241 A242 G246	L240-Q244 PolarHBondContact O-N 3.39Å; Q241-Q244 PolarHBondContact O-N 3.44Å; A242-Q244 VanDerWaalsContact C-N 3.34Å; A242-Q244 PolarHBondContact O-N 2.89Å; Q244-G246 VanDerWaalsContact C-N 3.28Å; Q244-G246 PolarHBondContact O-N 3.18Å
245	K	81.4	Confident	70.4	Confident	152 Å²	152	89.5 Å²	89.5	66%	0.661	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.9	176.4	-66.6	176.6	-177.7	-177.7	0	114.1	Q241 A242 L243 E247	Q241-K245 WeakPolarHBondContact O-CG 3.21Å; Q241-K245 PolarHBondContact O-N 3.41Å; A242-K245 PolarHBondContact O-N 3.08Å; L243-K245 VanDerWaalsContact C-N 3.29Å; L243-K245 PolarHBondContact O-N 3.28Å; K245-E247 VanDerWaalsContact C-N 3.27Å; K245-E247 HydrophobicContact CB-CG 4.19Å; K245-E247 PolarHBondContact O-N 2.84Å
246	G	71.3	Confident	68	Low	26 Å²	26	86.5 Å²	86.5	27%	0.268	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	11.7	-178.3	0	0	0	0	0	114.4	A242 L243 Q244 R248	A242-G246 PolarHBondContact O-N 3.22Å; L243-G246 PolarHBondContact O-N 2.75Å; Q244-G246 VanDerWaalsContact C-N 3.28Å; Q244-G246 PolarHBondContact O-N 3.18Å; G246-R248 PolarHBondContact O-N 2.7Å; G246-R248 VanDerWaalsContact O-N 3.09Å
247	E	67.1	Low	65.6	Low	112 Å²	112	95.9 Å²	95.9	52%	0.523	50%	0.498	S	S	.	.			trans	-71.4	103.7	179.9	-67.7	175.1	-162.4	0	0	110.3	A242 K245 K249	A242-E247 HydrophobicContact CB-CB 4.46Å; A242-E247 PolarHBondContact O-N 3.38Å; A242-E247 VanDerWaalsContact O-N 3.12Å; K245-E247 VanDerWaalsContact C-N 3.27Å; K245-E247 HydrophobicContact CB-CG 4.19Å; K245-E247 PolarHBondContact O-N 2.84Å; E247-K249 PolarHBondContact O-N 3.05Å
248	R	52.2	Low	63.1	Low	241 Å²	241	103.7 Å²	103.7	91%	0.909	53%	0.531	S	S	*	.			trans	-78.9	82.9	173	-67.8	-173.6	-176.7	-177.2	2.8	110.3	G246	G246-R248 PolarHBondContact O-N 2.7Å; G246-R248 VanDerWaalsContact O-N 3.09Å
249	K	51	Low	60.5	Low	176 Å²	176	103 Å²	103	77%	0.765	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-65.7	140.7	158.5	-110.4	175.5	180	171.6	0	108.7	E247 S251	E247-K249 PolarHBondContact O-N 3.05Å; K249-S251 PolarHBondContact O-N 3.07Å
250	K	44.2	Very low	57.8	Low	213 Å²	213	108.6 Å²	108.6	93%	0.926	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-46.2	116.9	175.7	-81.7	-178.3	178	176.7	0	108.3	C252	K250-C252 PolarHBondContact O-N 3.23Å
251	S	44.1	Very low	55.2	Low	69 Å²	69	113.5 Å²	113.5	48%	0.483	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-47.1	138.7	168	52.9	0	0	0	0	108.3	H205 K249 G253	H205-S251 VanDerWaalsContact NE2-CB 3.26Å; H205-S251 WeakPolarHBondContact NE2-CB 3.25Å; K249-S251 PolarHBondContact O-N 3.07Å; S251-G253 PolarHBondContact O-N 2.97Å
252	C	46.8	Very low	52.4	Low	105 Å²	105	117.6 Å²	117.6	71%	0.709	61%	0.61	S	S	*	*			trans	-51	106.9	170	-178.6	0	0	0	0	107.8	K250 G254	K250-C252 PolarHBondContact O-N 3.23Å; C252-G254 PolarHBondContact O-N 3.38Å
253	G	41	Very low	49.6	Very low	53 Å²	53	122.1 Å²	122.1	55%	0.546	64%	0.64	S	S	.	*			trans	-62.3	113.9	-179.8	0	0	0	0	0	106.5	S251 H255	S251-G253 PolarHBondContact O-N 2.97Å; G253-H255 PolarHBondContact O-N 3.19Å
254	G	41.6	Very low	46.8	Very low	52 Å²	52	128.4 Å²	128.4	54%	0.536	67%	0.668	S	S	.	*	S	Bend	trans	-66	37.4	-171.1	0	0	0	0	0	115.7	C252 C256	C252-G254 PolarHBondContact O-N 3.38Å; G254-C256 VanDerWaalsContact C-N 3.29Å; G254-C256 PolarHBondContact O-N 3.17Å
255	H	36.9	Very low	44.2	Very low	171 Å²	171	133.3 Å²	133.3	79%	0.792	69%	0.691	S	S	*	*			trans	-87.5	19.7	178.4	-96.9	-62.4	0	0	0	114	G253 K257	G253-H255 PolarHBondContact O-N 3.19Å; H255-K257 PolarHBondContact O-N 3.42Å
256	C	43.8	Very low	41.6	Very low	67 Å²	67	135.4 Å²	135.4	45%	0.453	70%	0.703	S	S	.	*			trans	-80.7	84.6	173	-61.3	0	0	0	0	110.8	G254 K258	G254-C256 VanDerWaalsContact C-N 3.29Å; G254-C256 PolarHBondContact O-N 3.17Å; C256-K258 PolarHBondContact O-N 3.35Å
257	K	43.7	Very low	39.4	Very low	197 Å²	197	137.3 Å²	137.3	86%	0.857	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.6	117.6	166.1	-68.9	-173.6	178.8	-178.8	0	108	H255	H255-K257 PolarHBondContact O-N 3.42Å
258	K	41.5	Very low	37.3	Very low	192 Å²	192	137.6 Å²	137.6	84%	0.835	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	82.9	30.5	175.2	-54.1	-177.3	177	179.7	0	119.4	C256 K260	C256-K258 PolarHBondContact O-N 3.35Å; K258-K260 VanDerWaalsContact C-N 3.29Å; K258-K260 PolarHBondContact O-N 3.32Å
259	G	36.9	Very low	36	Very low	51 Å²	51	135.6 Å²	135.6	53%	0.526	74%	0.738	S	S	.	*	S	Bend	trans	61.5	20.9	150.8	0	0	0	0	0	118.7
260	K	35.3	Very low	34.7	Very low	180 Å²	180	136 Å²	136	78%	0.783	74%	0.742	S	S	*	*			trans	-125.3	133.1	167.8	-73.2	-175	176.6	-175.5	0	109.6	K258	K258-K260 VanDerWaalsContact C-N 3.29Å; K258-K260 PolarHBondContact O-N 3.32Å
261	C	35.2	Very low	33.6	Very low	103 Å²	103	137.9 Å²	137.9	70%	0.696	74%	0.744	S	S	*	*			trans	-124	116	167	-66.1	0	0	0	0	107.1
262	E	29.6	Very low	32.5	Very low	164 Å²	164	143.6 Å²	143.6	77%	0.766	76%	0.763	S	S	*	*			trans	-92.5	138.6	168.8	-70.6	-178.5	176.1	0	0	109
263	S	28.5	Very low	31.3	Very low	114 Å²	114	148 Å²	148	80%	0.797	77%	0.773	S	S	*	*			trans	-93.7	109.4	176.8	51.4	0	0	0	0	108.9
264	H	27.5	Very low	30.5	Very low	176 Å²	176	149.4 Å²	149.4	82%	0.815	79%	0.788	S	S	*	*			trans	-89.3	118.1	164.6	-83	-76.2	0	0	0	109.9
265	Q	28.3	Very low	29.5	Very low	186 Å²	186	151.8 Å²	151.8	87%	0.869	80%	0.796	S	S	*	*			trans	-88.2	128.2	160	-79.8	178.8	-28.5	0	0	108.7
266	H	27.5	Very low	28.9	Very low	195 Å²	195	152.1 Å²	152.1	90%	0.903	80%	0.797	S	S	*	*			trans	-167.8	132.8	139.3	-111.8	-44.1	0	0	0	105.5
267	G	24.6	Very low	27.9	Very low	66 Å²	66	157.1 Å²	157.1	68%	0.68	81%	0.814	S	S	*	*				108.6	102.4	52.5	0	0	0	0	0	105.8
268	S	23.8	Very low	26.8	Very low	118 Å²	118	156 Å²	156	83%	0.825	81%	0.812	S	S	*	*			trans	-57.8	140.4	-176.3	45.7	0	0	0	0	114
269	E	24.2	Very low	25.9	Very low	199 Å²	199	153 Å²	153	93%	0.93	81%	0.805	S	S	*	*			trans	-150.6	132.1	143.7	-108.8	172.6	-153.3	0	0	109.6
270	E	23.4	Very low	25.3	Very low	184 Å²	184	157.9 Å²	157.9	86%	0.86	81%	0.814	S	S	*	*			trans	-72.9	150.2	-178.4	-63.1	168.7	155.5	0	0	111.5
271	R	21.4	Very low	24.7	Very low	254 Å²	254	155.4 Å²	155.4	96%	0.958	81%	0.809	S	S	*	*			trans	-165.8	138.2	141.9	-105.5	165	-158.1	-164.9	6.6	111.8
272	E	22	Very low	24.2	Very low	189 Å²	189	158.9 Å²	158.9	88%	0.883	81%	0.814	S	S	*	*			trans	-75	162.9	-173.3	-70.4	172.6	143.6	0	0	115
273	E	21.5	Very low	24	Very low	197 Å²	197	159.5 Å²	159.5	92%	0.921	82%	0.817	S	S	*	*			trans	-4.4	140.3	159.8	-59.8	-179.1	161	0	0	121.3
274	G	22.9	Very low	23.7	Very low	83 Å²	83	163 Å²	163	86%	0.856	82%	0.818	S	S	*	*			trans	-172.5	128.5	162.6	0	0	0	0	0	111.7
275	S	21.6	Very low	23.5	Very low	101 Å²	101	160.9 Å²	160.9	71%	0.706	81%	0.813	S	S	*	*			trans	-94.3	160.4	-158.2	53.4	0	0	0	0	117.6
276	H	22.7	Very low	23.2	Very low	179 Å²	179	158.6 Å²	158.6	83%	0.829	81%	0.812	S	S	*	*			trans	60.5	144.1	148.9	-71.7	-63.4	0	0	0	117.9
277	E	23	Very low	23.1	Very low	172 Å²	172	157.4 Å²	157.4	80%	0.804	81%	0.806	S	S	*	*			cis	-151.6	146.4	31.5	-65.7	175.2	147.8	0	0	108.6
278	Q	22.3	Very low	23.1	Very low	173 Å²	173	162.2 Å²	162.2	81%	0.808	81%	0.811	S	S	*	*				31.8	130.5	96.9	-77.2	175.1	-17.5	0	0	114.1
279	D	22.4	Very low	23	Very low	130 Å²	130	165.3 Å²	165.3	70%	0.695	81%	0.812	S	S	*	*			cis	-173.1	164.6	38.3	-130.2	-15.4	0	0	0	112.1
280	E	23.3	Very low	23	Very low	153 Å²	153	164.4 Å²	164.4	72%	0.715	81%	0.808	S	S	*	*			trans	71.2	113.8	145.9	-67.3	-163.7	155.5	0	0	125.9
281	L	23.6	Very low	23.3	Very low	127 Å²	127	160.7 Å²	160.7	67%	0.665	80%	0.8	S	S	*	*				57.4	118	121.1	-70.7	153.5	0	0	0	121.6
282	H	24.5	Very low	23.2	Very low	176 Å²	176	158.2 Å²	158.2	82%	0.815	80%	0.797	S	S	*	*				175.1	136.8	97.3	-107.3	-76.9	0	0	0	113.8
283	H	24.3	Very low	23.3	Very low	177 Å²	177	157.7 Å²	157.7	82%	0.819	79%	0.794	S	S	*	*			trans	-59	141.7	164.3	-88.6	-85.7	0	0	0	113
284	K	23.1	Very low	23.3	Very low	188 Å²	188	153.3 Å²	153.3	82%	0.817	79%	0.786	S	S	*	*				176.6	153.4	101.6	-119.8	178.5	177	179.7	0	113.4
285	D	22.5	Very low	23.3	Very low	132 Å²	132	154.1 Å²	154.1	71%	0.706	78%	0.778	S	S	*	*			trans	-48.3	153.2	174.2	-45.8	-70.3	0	0	0	114.1
286	T	22.6	Very low	23.3	Very low	138 Å²	138	153.9 Å²	153.9	85%	0.847	78%	0.776	S	S	*	*				174.1	147.7	105.6	-49.6	0	0	0	0	109
287	E	24.6	Very low	23.5	Very low	169 Å²	169	154.9 Å²	154.9	79%	0.79	78%	0.782	S	S	*	*			trans	-65.8	168.8	179.8	-58.2	171.9	139.4	0	0	114
288	E	24.4	Very low	23.5	Very low	168 Å²	168	155.6 Å²	155.6	79%	0.785	79%	0.785	S	S	*	*			trans	107.1	122.7	149	-71.6	-175.8	174.7	0	0	120.4
289	E	23.6	Very low	23.6	Very low	182 Å²	182	156.5 Å²	156.5	85%	0.85	79%	0.789	S	S	*	*			trans	92.2	122.6	147	-68.6	-173.1	177.9	0	0	122.3
290	E	23.6	Very low	23.5	Very low	180 Å²	180	160.2 Å²	160.2	84%	0.841	80%	0.799	S	S	*	*			trans	-38.7	-169.8	164.8	-63.8	-154.5	169.9	0	0	117.6
291	P	29.5	Very low	23.5	Very low	107 Å²	107	156.9 Å²	156.9	70%	0.695	81%	0.806	S	S	*	*			cis	-125.5	169.7	-48.5	29.3	-12.6	0	0	0	110.4
292	F	20.1	Very low	23.5	Very low	202 Å²	202	154.5 Å²	154.5	89%	0.886	81%	0.812	S	S	*	*			trans	-143.4	114	158.2	-162.8	-108	0	0	0	111.6
293	E	22.4	Very low	23.4	Very low	177 Å²	177	155.6 Å²	155.6	83%	0.827	82%	0.817	S	S	*	*			trans	-68	145.2	165.1	-68.5	-172.6	148.8	0	0	110.5
294	S	22.3	Very low	23.4	Very low	106 Å²	106	154.3 Å²	154.3	74%	0.741	82%	0.816	S	S	*	*			trans	-156.7	110.9	146.1	-179.3	0	0	0	0	112
295	S	22.3	Very low	23.6	Very low	99 Å²	99	157.2 Å²	157.2	69%	0.692	82%	0.822	S	S	*	*			trans	69.9	99	132.1	-162.7	0	0	0	0	119.7
296	S	21.9	Very low	23.7	Very low	97 Å²	97	159.4 Å²	159.4	68%	0.678	83%	0.828	S	S	*	*			trans	-7	140.1	134.3	52.7	0	0	0	0	118.6
297	E	26.7	Very low	23.8	Very low	200 Å²	200	158.1 Å²	158.1	94%	0.935	83%	0.825	S	S	*	*				-144.7	134.2	115.7	-68.5	-161.8	153.5	0	0	109.7
298	E	23.1	Very low	23.8	Very low	187 Å²	187	157.6 Å²	157.6	87%	0.874	83%	0.827	S	S	*	*			trans	-91	144.1	176.4	-62	-173.5	164.3	0	0	110.4
299	E	24.6	Very low	24.1	Very low	192 Å²	192	156.5 Å²	156.5	90%	0.897	83%	0.826	S	S	*	*			trans	-159.6	113.2	137.6	-112.5	-175.7	-162.5	0	0	112.8
300	F	21.7	Very low	24.2	Very low	208 Å²	208	152.5 Å²	152.5	91%	0.912	82%	0.818	S	S	*	*			trans	45.9	102.1	141.9	-106.6	-98.9	0	0	0	123
301	G	22.5	Very low	24.7	Very low	82 Å²	82	151.8 Å²	151.8	85%	0.845	82%	0.818	S	S	*	*				67.6	103.5	113.6	0	0	0	0	0	121.5
302	G	23	Very low	24.8	Very low	77 Å²	77	150.9 Å²	150.9	79%	0.794	81%	0.811	S	S	*	*			trans	-176.7	86.4	162.4	0	0	0	0	0	115.1
303	E	23.8	Very low	25.5	Very low	200 Å²	200	146 Å²	146	94%	0.935	79%	0.794	S	S	*	*			trans	39.9	111.7	158	-63.8	-174.9	165.1	0	0	121.8
304	D	22.4	Very low	26.8	Very low	149 Å²	149	143.1 Å²	143.1	80%	0.797	79%	0.788	S	S	*	*			trans	-64.8	129.3	170.9	-87.9	-45	0	0	0	114.9
305	R	27.6	Very low	27.7	Very low	250 Å²	250	146.1 Å²	146.1	94%	0.943	79%	0.79	S	S	*	*			trans	-148.9	69.1	144.7	-119.6	179.5	-176.5	179.2	3	110.1
306	Q	25.8	Very low	28.5	Very low	177 Å²	177	144.6 Å²	144.6	83%	0.827	78%	0.775	S	S	*	*			trans	-92	128.1	174.8	-82.1	-170.8	1.7	0	0	113.3	L308	Q306-L308 PolarHBondContact O-N 2.9Å
307	S	24.5	Very low	29.7	Very low	111 Å²	111	144.5 Å²	144.5	78%	0.776	77%	0.766	S	S	*	*			trans	-63.6	120.2	173.8	63.5	0	0	0	0	111.9	N309	S307-N309 PolarHBondContact O-N 3.04Å
308	L	24.5	Very low	30.2	Very low	159 Å²	159	137 Å²	137	83%	0.832	74%	0.743	S	S	*	*			trans	-76.2	102.3	162.6	-78.9	162.1	0	0	0	109.4	Q306	Q306-L308 PolarHBondContact O-N 2.9Å
309	N	30.8	Very low	31	Very low	145 Å²	145	134.7 Å²	134.7	78%	0.775	73%	0.73	S	S	*	*			trans	-136.6	72.9	160.3	-105	-20.7	0	0	0	108.2	S307	S307-N309 PolarHBondContact O-N 3.04Å
310	S	24.9	Very low	31.9	Very low	97 Å²	97	129.1 Å²	129.1	68%	0.678	71%	0.705	S	S	*	*			trans	-114.9	123.2	160.9	53.5	0	0	0	0	108.6
311	I	35	Very low	32.9	Very low	165 Å²	165	125.3 Å²	125.3	85%	0.846	69%	0.692	S	S	*	*	P	Polyproline II helix	trans	-81.2	132.1	-179.2	-74.8	162	0	0	0	108.1
312	V	30.4	Very low	33.7	Very low	89 Å²	89	126.2 Å²	126.2	54%	0.539	68%	0.677	S	S	.	*	P	Polyproline II helix	trans	-102.8	128.9	176.7	-179.2	0	0	0	0	109	D316 I320	V312-D316 HydrophobicContact CG1-CB 3.97Å; V312-I320 HydrophobicContact CG1-CD1 3.74Å
313	D	36.3	Very low	34.6	Very low	100 Å²	100	128.4 Å²	128.4	54%	0.535	67%	0.667	S	S	.	*	P	Polyproline II helix	trans	-83.2	157.9	177.6	-157.8	-12.6	0	0	0	111.3	E315 D316	D313-E315 PolarHBondContact O-N 3.33Å; D313-D316 PolarHBondContact O-N 2.8Å
314	V	49.4	Very low	35.8	Very low	115 Å²	115	122.8 Å²	122.8	70%	0.697	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.9	-20.2	-176.5	177.6	0	0	0	0	112.3
315	E	40.2	Very low	36.9	Very low	169 Å²	169	121.9 Å²	121.9	79%	0.79	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-15.9	173.7	-66.3	-178.2	172.3	0	0	113.1	D313	D313-E315 PolarHBondContact O-N 3.33Å
316	D	39.3	Very low	37.7	Very low	67 Å²	67	116.2 Å²	116.2	36%	0.358	62%	0.617	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.5	-7.7	178.9	-71.3	-38	0	0	0	113.6	V312 D313 G318 K319 I320	V312-D316 HydrophobicContact CG1-CB 3.97Å; D313-D316 PolarHBondContact O-N 2.8Å; D316-G318 VanDerWaalsContact C-N 3.3Å; D316-G318 PolarHBondContact O-N 2.95Å; D316-K319 PolarHBondContact O-N 2.86Å; D316-I320 WeakPolarHBondContact O-CG1 3.41Å; D316-I320 PolarHBondContact O-N 3.02Å
317	L	46.9	Very low	38.6	Very low	95 Å²	95	113 Å²	113	50%	0.497	60%	0.602	S	S	.	*	H	α-helix	trans	-67.9	-26.7	177.5	-81.7	158.7	0	0	0	113.4	M321	L317-M321 WeakPolarHBondContact O-CG 3.3Å; L317-M321 PolarHBondContact O-N 3.14Å; L317-M321 VanDerWaalsContact O-N 3.12Å
318	G	38	Very low	39.8	Very low	43 Å²	43	113.8 Å²	113.8	44%	0.443	59%	0.591	S	S	.	*	H	α-helix	trans	-65.8	-44.9	174.4	0	0	0	0	0	112	D316 M321 D322	D316-G318 VanDerWaalsContact C-N 3.3Å; D316-G318 PolarHBondContact O-N 2.95Å; G318-M321 PolarHBondContact O-N 2.82Å; G318-D322 PolarHBondContact O-N 2.9Å
319	K	39.7	Very low	40.9	Very low	139 Å²	139	114.7 Å²	114.7	60%	0.604	58%	0.583	S	S	*	*	H	α-helix	trans	-66.5	-39.4	178.3	-65.1	177.7	-178.2	171.1	0	111.5	D316 M321 D322 H323	D316-K319 PolarHBondContact O-N 2.86Å; K319-M321 VanDerWaalsContact C-N 3.32Å; K319-M321 PolarHBondContact O-N 3.47Å; K319-D322 PolarHBondContact O-N 3.35Å; K319-H323 PolarHBondContact O-CD2 2.91Å; K319-H323 PolarHBondContact O-N 2.85Å
320	I	43.8	Very low	41.6	Very low	75 Å²	75	112.5 Å²	112.5	39%	0.385	57%	0.569	S	S	.	*	H	α-helix	trans	-63.4	-37.7	175.9	-65.1	165.1	0	0	0	111.3	V312 D316 D322 H323 V324	V312-I320 HydrophobicContact CG1-CD1 3.74Å; D316-I320 WeakPolarHBondContact O-CG1 3.41Å; D316-I320 PolarHBondContact O-N 3.02Å; I320-D322 VanDerWaalsContact C-N 3.34Å; I320-D322 PolarHBondContact O-N 2.95Å; I320-H323 PolarHBondContact O-N 3.33Å; I320-V324 HydrophobicContact CG2-CG2 4.45Å; I320-V324 WeakPolarHBondContact O-CB 3.42Å; I320-V324 VanDerWaalsContact O-CG2 3.25Å; I320-V324 WeakPolarHBondContact O-CG2 3.21Å; I320-V324 PolarHBondContact O-N 2.95Å
321	M	42.4	Very low	42.5	Very low	127 Å²	127	114.2 Å²	114.2	63%	0.626	56%	0.564	S	S	*	*	H	α-helix	trans	-67.5	-31.8	175.6	-81	-177.4	56.9	0	0	113.5	L317 G318 K319 K325	L317-M321 WeakPolarHBondContact O-CG 3.3Å; L317-M321 PolarHBondContact O-N 3.14Å; L317-M321 VanDerWaalsContact O-N 3.12Å; G318-M321 PolarHBondContact O-N 2.82Å; K319-M321 VanDerWaalsContact C-N 3.32Å; K319-M321 PolarHBondContact O-N 3.47Å; M321-K325 PolarHBondContact O-N 3.35Å
322	D	39.8	Very low	42.8	Very low	101 Å²	101	111 Å²	111	54%	0.54	55%	0.545	S	S	.	.	H	α-helix	trans	-73.8	-36.7	174.9	-71.1	-29	0	0	0	111.8	G318 K319 I320 K325 K326	G318-D322 PolarHBondContact O-N 2.9Å; K319-D322 PolarHBondContact O-N 3.35Å; I320-D322 VanDerWaalsContact C-N 3.34Å; I320-D322 PolarHBondContact O-N 2.95Å; D322-K325 PolarHBondContact O-N 3.3Å; D322-K326 WeakPolarHBondContact O-CB 3.46Å; D322-K326 PolarHBondContact O-N 3.37Å
323	H	41.6	Very low	43.2	Very low	124 Å²	124	112.9 Å²	112.9	57%	0.574	55%	0.548	S	S	*	.	H	α-helix	trans	-63.2	-42.9	169.3	-78.6	-74.1	0	0	0	112.3	K319 I320 K325 K326 E327	K319-H323 PolarHBondContact O-CD2 2.91Å; K319-H323 PolarHBondContact O-N 2.85Å; I320-H323 PolarHBondContact O-N 3.33Å; H323-K325 VanDerWaalsContact C-N 3.33Å; H323-K325 PolarHBondContact O-N 3.37Å; H323-K326 WeakPolarHBondContact O-CB 3.45Å; H323-K326 PolarHBondContact O-N 3.06Å; H323-K326 VanDerWaalsContact O-N 3.14Å; H323-E327 PolarHBondContact O-N 2.99Å
324	V	48	Very low	43.2	Very low	81 Å²	81	115.1 Å²	115.1	49%	0.491	56%	0.556	S	S	.	*	H	α-helix	trans	-65.6	-33.9	175.4	170.3	0	0	0	0	111.9	I320 K328	I320-V324 HydrophobicContact CG2-CG2 4.45Å; I320-V324 WeakPolarHBondContact O-CB 3.42Å; I320-V324 VanDerWaalsContact O-CG2 3.25Å; I320-V324 WeakPolarHBondContact O-CG2 3.21Å; I320-V324 PolarHBondContact O-N 2.95Å; V324-K328 WeakPolarHBondContact O-CB 3.3Å; V324-K328 PolarHBondContact O-N 3.45Å
325	K	44.9	Very low	42.7	Very low	131 Å²	131	116.2 Å²	116.2	57%	0.57	55%	0.553	S	S	*	*	H	α-helix	trans	-67.7	-36.5	171.6	-95.5	179.2	178.5	171.3	0	112.4	M321 D322 H323 R329	M321-K325 PolarHBondContact O-N 3.35Å; D322-K325 PolarHBondContact O-N 3.3Å; H323-K325 VanDerWaalsContact C-N 3.33Å; H323-K325 PolarHBondContact O-N 3.37Å; K325-R329 WeakPolarHBondContact O-CG 3.3Å; K325-R329 PolarHBondContact O-N 3.36Å; K325-R329 VanDerWaalsContact O-N 3.12Å
326	K	44.5	Very low	42.5	Very low	131 Å²	131	116 Å²	116	57%	0.57	55%	0.552	S	S	*	*	H	α-helix	trans	-69.5	-47	177.5	-166.9	179.1	176.1	-176.1	0	111.1	D322 H323 K328 R329 E330	D322-K326 WeakPolarHBondContact O-CB 3.46Å; D322-K326 PolarHBondContact O-N 3.37Å; H323-K326 WeakPolarHBondContact O-CB 3.45Å; H323-K326 PolarHBondContact O-N 3.06Å; H323-K326 VanDerWaalsContact O-N 3.14Å; K326-K328 VanDerWaalsContact C-N 3.28Å; K326-K328 PolarHBondContact O-N 3.12Å; K326-R329 PolarHBondContact O-N 3.32Å; K326-R329 VanDerWaalsContact O-N 3.13Å; K326-E330 WeakPolarHBondContact CE-OE1 3.46Å; K326-E330 WeakPolarHBondContact O-CG 3.34Å; K326-E330 PolarHBondContact O-N 3.31Å
327	E	45.7	Very low	42.3	Very low	110 Å²	110	122.1 Å²	122.1	51%	0.514	58%	0.576	S	S	.	*	H	α-helix	trans	-62.1	-33.7	173.7	-73.9	-177.1	171.8	0	0	112.7	H323 E330 K331	H323-E327 PolarHBondContact O-N 2.99Å; E327-E330 PolarHBondContact O-N 3.37Å; E327-K331 WeakPolarHBondContact O-CB 3.19Å; E327-K331 WeakPolarHBondContact O-CG 3.44Å; E327-K331 PolarHBondContact O-N 2.88Å
328	K	50.4	Low	41.8	Very low	127 Å²	127	121.8 Å²	121.8	55%	0.552	58%	0.581	S	S	*	*	H	α-helix	trans	-67.4	-39.6	174.7	-169	-178.9	-178.2	-154	0	112	V324 K326 K331 E332	V324-K328 WeakPolarHBondContact O-CB 3.3Å; V324-K328 PolarHBondContact O-N 3.45Å; K326-K328 VanDerWaalsContact C-N 3.28Å; K326-K328 PolarHBondContact O-N 3.12Å; K328-K331 PolarHBondContact O-N 3.22Å; K328-E332 WeakPolarHBondContact CE-OE1 3.46Å; K328-E332 IonicContact NZ-OE1 3.47Å; K328-E332 WeakPolarHBondContact O-CB 3.44Å; K328-E332 VanDerWaalsContact O-CG 3.23Å; K328-E332 WeakPolarHBondContact O-CG 3.27Å; K328-E332 PolarHBondContact O-N 3.42Å
329	R	45.9	Very low	41.6	Very low	177 Å²	177	122.7 Å²	122.7	67%	0.668	59%	0.59	S	S	*	*	H	α-helix	trans	-68.1	-35.8	175.1	-76.3	178.2	175.3	-170.9	-1.7	112.3	K325 K326 Q333	K325-R329 WeakPolarHBondContact O-CG 3.3Å; K325-R329 PolarHBondContact O-N 3.36Å; K325-R329 VanDerWaalsContact O-N 3.12Å; K326-R329 PolarHBondContact O-N 3.32Å; K326-R329 VanDerWaalsContact O-N 3.13Å; R329-Q333 WeakPolarHBondContact O-CG 3.31Å; R329-Q333 PolarHBondContact O-N 3.08Å; R329-Q333 VanDerWaalsContact O-N 3.12Å
330	E	46.4	Very low	41.4	Very low	100 Å²	100	123.1 Å²	123.1	47%	0.467	60%	0.598	S	S	.	*	H	α-helix	trans	-72.1	-35.6	177.1	-71.1	168.4	-174	0	0	111.9	K326 E327 Q333 Q334	K326-E330 WeakPolarHBondContact CE-OE1 3.46Å; K326-E330 WeakPolarHBondContact O-CG 3.34Å; K326-E330 PolarHBondContact O-N 3.31Å; E327-E330 PolarHBondContact O-N 3.37Å; E330-Q333 PolarHBondContact O-N 3.37Å; E330-Q334 PolarHBondContact O-N 3.16Å; E330-Q334 VanDerWaalsContact O-N 3.1Å
331	K	43.8	Very low	41	Very low	133 Å²	133	129.3 Å²	129.3	58%	0.578	62%	0.623	S	S	*	*	H	α-helix	trans	-70.6	-39.7	171.9	-78.6	178.6	177.3	172.9	0	113.2	E327 K328 Q333 Q334 E335	E327-K331 WeakPolarHBondContact O-CB 3.19Å; E327-K331 WeakPolarHBondContact O-CG 3.44Å; E327-K331 PolarHBondContact O-N 2.88Å; K328-K331 PolarHBondContact O-N 3.22Å; K331-Q333 VanDerWaalsContact C-N 3.26Å; K331-Q333 PolarHBondContact O-N 3.42Å; K331-Q334 PolarHBondContact O-N 3.29Å; K331-E335 WeakPolarHBondContact O-CG 2.97Å; K331-E335 PolarHBondContact O-N 3.31Å
332	E	42.4	Very low	40.4	Very low	96 Å²	96	134.1 Å²	134.1	45%	0.449	63%	0.634	S	S	.	*	H	α-helix	trans	-62.6	-34	174.3	-75.7	168.5	179.6	0	0	111.3	K328 E336	K328-E332 WeakPolarHBondContact CE-OE1 3.46Å; K328-E332 IonicContact NZ-OE1 3.47Å; K328-E332 WeakPolarHBondContact O-CB 3.44Å; K328-E332 VanDerWaalsContact O-CG 3.23Å; K328-E332 WeakPolarHBondContact O-CG 3.27Å; K328-E332 PolarHBondContact O-N 3.42Å; E332-E336 PolarHBondContact O-N 2.94Å
333	Q	38.2	Very low	40.1	Very low	130 Å²	130	137.3 Å²	137.3	61%	0.607	65%	0.651	S	S	*	*	H	α-helix	trans	-77.4	-25.6	174.8	-75.1	179.6	-2.3	0	0	114.4	R329 E330 K331	R329-Q333 WeakPolarHBondContact O-CG 3.31Å; R329-Q333 PolarHBondContact O-N 3.08Å; R329-Q333 VanDerWaalsContact O-N 3.12Å; E330-Q333 PolarHBondContact O-N 3.37Å; K331-Q333 VanDerWaalsContact C-N 3.26Å; K331-Q333 PolarHBondContact O-N 3.42Å
334	Q	35.8	Very low	39.7	Very low	147 Å²	147	139.6 Å²	139.6	69%	0.687	66%	0.664	S	S	*	*	H	α-helix	trans	-77.4	-34.9	171.6	-91.2	179.6	-17	0	0	112.2	E330 K331 K337 S338	E330-Q334 PolarHBondContact O-N 3.16Å; E330-Q334 VanDerWaalsContact O-N 3.1Å; K331-Q334 PolarHBondContact O-N 3.29Å; Q334-K337 PolarHBondContact O-N 3.44Å; Q334-S338 PolarHBondContact O-N 3.06Å
335	E	38.3	Very low	38.8	Very low	138 Å²	138	139 Å²	139	65%	0.645	67%	0.674	S	S	*	*	H	α-helix	trans	-69.7	-32.1	175.9	-75.6	178.9	170.8	0	0	112.5	K331 K337 S338	K331-E335 WeakPolarHBondContact O-CG 2.97Å; K331-E335 PolarHBondContact O-N 3.31Å; E335-K337 VanDerWaalsContact C-N 3.32Å; E335-K337 PolarHBondContact O-N 3.27Å; E335-S338 PolarHBondContact O-N 3.36Å; E335-S338 PolarHBondContact O-OG 3.48Å
336	E	37	Very low	38.6	Very low	164 Å²	164	143.8 Å²	143.8	77%	0.766	69%	0.689	S	S	*	*	H	α-helix	trans	-66.9	-28.5	172	-98.2	-175.3	159.4	0	0	113.4	E332	E332-E336 PolarHBondContact O-N 2.94Å
337	K	35.7	Very low	37.8	Very low	196 Å²	196	145 Å²	145	85%	0.852	70%	0.702	S	S	*	*	H	α-helix	trans	-86.8	-12.6	179.7	-80.8	-177	177.1	176.9	0	114.5	Q334 E335	Q334-K337 PolarHBondContact O-N 3.44Å; E335-K337 VanDerWaalsContact C-N 3.32Å; E335-K337 PolarHBondContact O-N 3.27Å
338	S	34.7	Very low	37.7	Very low	87 Å²	87	147.8 Å²	147.8	61%	0.608	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.1	6.5	171	61.9	0	0	0	0	114.1	Q334 E335 L340	Q334-S338 PolarHBondContact O-N 3.06Å; E335-S338 PolarHBondContact O-N 3.36Å; E335-S338 PolarHBondContact O-OG 3.48Å; S338-L340 VanDerWaalsContact C-N 3.3Å; S338-L340 PolarHBondContact O-N 3.03Å
339	G	33.7	Very low	37.3	Very low	62 Å²	62	149.5 Å²	149.5	64%	0.639	73%	0.73	S	S	*	*			trans	-80.6	17.4	-175.3	0	0	0	0	0	116.9
340	L	37.3	Very low	37.4	Very low	149 Å²	149	144.5 Å²	144.5	78%	0.78	73%	0.733	S	S	*	*	S	Bend	trans	-119.7	122.2	163.3	-87.5	102.8	0	0	0	107.8	S338	S338-L340 VanDerWaalsContact C-N 3.3Å; S338-L340 PolarHBondContact O-N 3.03Å
341	F	34.8	Very low	38.5	Very low	204 Å²	204	148.8 Å²	148.8	90%	0.895	75%	0.753	S	S	*	*	S	Bend	trans	92.2	64.8	-174.9	-58.2	-79.1	0	0	0	117.5
342	R	29.8	Very low	40.3	Very low	229 Å²	229	150 Å²	150	86%	0.864	75%	0.754	S	S	*	*				-171.6	84.7	124.9	-108.8	172.3	80.1	163	1.2	112	M344	R342-M344 PolarHBondContact O-N 2.93Å
343	N	34.2	Very low	42.6	Very low	168 Å²	168	152.6 Å²	152.6	90%	0.898	76%	0.759	S	S	*	*			trans	-85.2	90.1	150.9	-103	-8.4	0	0	0	107.6
344	M	32.5	Very low	45.2	Very low	171 Å²	171	148.7 Å²	148.7	84%	0.842	75%	0.749	S	S	*	*			trans	179.8	123	148.7	-136.4	116.1	73.1	0	0	109.6	R342	R342-M344 PolarHBondContact O-N 2.93Å
345	G	29.4	Very low	47.9	Very low	68 Å²	68	142 Å²	142	70%	0.701	72%	0.718	S	S	*	*			trans	113.3	91.8	167.6	0	0	0	0	0	114.8	N347	G345-N347 PolarHBondContact O-N 3.31Å; G345-N347 VanDerWaalsContact O-N 3.15Å
346	R	39.2	Very low	50.5	Low	232 Å²	232	135.8 Å²	135.8	88%	0.875	69%	0.689	S	S	*	*			trans	-61.4	106.1	155.5	-107.1	177.1	166.7	168.9	-5.7	107.6
347	N	29.4	Very low	53	Low	158 Å²	158	131.5 Å²	131.5	85%	0.845	68%	0.675	S	S	*	*			trans	-107.1	100.7	157.6	-92.7	0.4	0	0	0	107.2	G345 D349	G345-N347 PolarHBondContact O-N 3.31Å; G345-N347 VanDerWaalsContact O-N 3.15Å; N347-D349 VanDerWaalsContact C-N 3.32Å; N347-D349 PolarHBondContact O-N 2.91Å
348	E	43.1	Very low	55.6	Low	168 Å²	168	127.5 Å²	127.5	79%	0.785	67%	0.669	S	S	*	*			trans	-75.6	86.8	160.5	-70.9	-177.9	164.4	0	0	107.4
349	D	41.3	Very low	58.1	Low	163 Å²	163	126.9 Å²	126.9	87%	0.872	67%	0.669	S	S	*	*			trans	-172	68.4	158.8	-97.6	-24.1	0	0	0	110.2	N347	N347-D349 VanDerWaalsContact C-N 3.32Å; N347-D349 PolarHBondContact O-N 2.91Å
350	G	48.3	Very low	60.6	Low	71 Å²	71	124.9 Å²	124.9	73%	0.732	64%	0.643	S	S	*	*			trans	-86.6	114.6	157.1	0	0	0	0	0	108.3	R352	G350-R352 PolarHBondContact O-N 2.84Å; G350-R352 VanDerWaalsContact O-N 3.13Å
351	E	70	Confident	63.1	Low	190 Å²	190	122.2 Å²	122.2	89%	0.888	62%	0.623	S	S	*	*	P	Polyproline II helix	trans	-49.1	120.9	178	-79.4	-171.5	141.6	0	0	110.8	R353	E351-R353 PolarHBondContact O-N 3.47Å
352	R	82.1	Confident	65.5	Low	158 Å²	158	117.9 Å²	117.9	60%	0.596	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-58.3	129.8	177.1	-68.2	-176	-178.4	178.5	0.3	109.5	G350 W437	G350-R352 PolarHBondContact O-N 2.84Å; G350-R352 VanDerWaalsContact O-N 3.13Å; R352-W437 WeakPolarHBondContact CD-O 3.33Å
353	R	90.4	Very high	68.1	Low	151 Å²	151	109 Å²	109	57%	0.57	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-59.3	147.1	-179.9	68.1	-179.6	-178.8	179.8	-0.8	112.8	E351 R436 W437 K438	E351-R353 PolarHBondContact O-N 3.47Å; R353-R436 VanDerWaalsContact NH2-CZ 3.26Å; R353-W437 WeakPolarHBondContact O-CA 3.4Å; R353-K438 PolarHBondContact O-N 3.25Å; R353-K438 VanDerWaalsContact O-N 3.14Å
354	A	92.8	Very high	70.5	Confident	48 Å²	48	101.1 Å²	101.1	40%	0.397	54%	0.539	S	S	.	.	P	Polyproline II helix	trans	-63.6	147.8	169.4	0	0	0	0	0	111.5
355	M	92.9	Very high	73.1	Confident	6 Å²	6	96.4 Å²	96.4	3%	0.03	52%	0.52	C	S	.	.	S	Bend	trans	-76	-37.1	175.5	-177.5	-171.8	-65.3	0	0	111.4	S374 H375 L414 A415 P430 W435 W437	M355-S374 CarbonylContact C-O 3.5Å; M355-S374 WeakPolarHBondContact CA-O 3.32Å; M355-S374 WeakPolarHBondContact CB-O 3.39Å; M355-S374 PolarHBondContact N-O 3.38Å; M355-H375 HydrophobicContact CB-CB 3.64Å; M355-H375 HydrophobicContact CE-CB 3.75Å; M355-H375 HydrophobicContact CG-CB 4.27Å; M355-H375 HydrophobicContact SD-CB 3.72Å; M355-L414 HydrophobicContact SD-CB 3.77Å; M355-A415 HydrophobicContact CE-CB 3.65Å; M355-A415 HydrophobicContact SD-CB 3.86Å; M355-A415 PolarHBondContact SD-N 3Å; M355-A415 VanDerWaalsContact SD-N 3.43Å; M355-P430 HydrophobicContact CG-CB 3.96Å; M355-P430 HydrophobicContact CG-CG 3.64Å; M355-P430 HydrophobicContact SD-CG 4.36Å; M355-W435 HydrophobicContact CE-CE3 4.42Å; M355-W435 HydrophobicContact CE-CH2 3.81Å; M355-W435 HydrophobicContact CE-CZ2 4.42Å; M355-W435 HydrophobicContact CE-CZ3 3.79Å; M355-W437 HydrophobicContact CB-CB 4.11Å; M355-W437 HydrophobicContact CB-CD2 4.14Å; M355-W437 HydrophobicContact CB-CG 3.69Å; M355-W437 HydrophobicContact CE-CD2 3.7Å; M355-W437 HydrophobicContact CE-CE3 3.46Å; M355-W437 VanDerWaalsContact CE-CE3 3.46Å; M355-W437 HydrophobicContact CE-CG 4.18Å; M355-W437 HydrophobicContact CE-CH2 4.47Å; M355-W437 HydrophobicContact CE-CZ3 3.88Å; M355-W437 HydrophobicContact CG-CD2 4.17Å; M355-W437 HydrophobicContact CG-CG 4.24Å
356	I	91.6	Very high	75.6	Confident	8 Å²	8	98.5 Å²	98.5	4%	0.041	51%	0.51	C	S	.	.	S	Bend	trans	-90.8	107.5	179.2	-59.2	167.6	0	0	0	109.2	R361 L371 S374 L414	I356-R361 HydrophobicContact CG2-CB 3.77Å; I356-L371 HydrophobicContact CD1-CB 4.16Å; I356-L371 HydrophobicContact CD1-CD1 4.31Å; I356-L371 HydrophobicContact CD1-CD2 4.3Å; I356-L371 HydrophobicContact CD1-CG 4.49Å; I356-L371 HydrophobicContact CG2-CD1 3.82Å; I356-S374 WeakPolarHBondContact CG1-O 3.47Å; I356-S374 PolarHBondContact N-O 3.37Å; I356-L414 HydrophobicContact CD1-CD1 3.54Å; I356-L414 HydrophobicContact CG1-CD1 3.38Å
357	T	90.4	Very high	77.4	Confident	74 Å²	74	90.6 Å²	90.6	45%	0.454	48%	0.483	S	S	.	.			trans	-75.1	159.3	171.3	66.1	0	0	0	0	111	A359 L360 R361	T357-A359 VanDerWaalsContact C-N 3.31Å; T357-A359 PolarHBondContact O-N 3.37Å; T357-L360 PolarHBondContact O-N 3.39Å; T357-L360 VanDerWaalsContact O-N 3.17Å; T357-L360 VanDerWaalsContact OG1-CB 3.29Å; T357-L360 WeakPolarHBondContact OG1-CB 3.39Å; T357-L360 PolarHBondContact OG1-N 2.96Å; T357-R361 WeakPolarHBondContact O-CB 3.49Å; T357-R361 PolarHBondContact O-N 3.35Å
358	P	89.8	Confident	80	Confident	113 Å²	113	84.7 Å²	84.7	73%	0.734	46%	0.459	S	S	*	.	H	α-helix	trans	-55.2	-43.1	176.3	-27.9	36	0	0	0	113.6	R361 E362	P358-R361 WeakPolarHBondContact O-CB 3.43Å; P358-R361 PolarHBondContact O-N 2.87Å; P358-E362 PolarHBondContact O-N 2.86Å
359	A	86.4	Confident	82.3	Confident	74 Å²	74	76.7 Å²	76.7	61%	0.612	42%	0.422	S	S	*	.	H	α-helix	trans	-64	-42.7	176.6	0	0	0	0	0	112.2	T357 R361 E362 A363	T357-A359 VanDerWaalsContact C-N 3.31Å; T357-A359 PolarHBondContact O-N 3.37Å; A359-R361 VanDerWaalsContact C-N 3.31Å; A359-R361 PolarHBondContact O-N 2.73Å; A359-E362 PolarHBondContact O-N 3.22Å; A359-A363 PolarHBondContact O-N 3.41Å; A359-A363 VanDerWaalsContact O-N 3.1Å
360	L	85.8	Confident	84.8	Confident	19 Å²	19	72.2 Å²	72.2	10%	0.099	40%	0.396	C	S	.	.	H	α-helix	trans	-65.6	-37	176.1	-176.9	61.2	0	0	0	111.3	T357 A363 L364 T428 P430	T357-L360 PolarHBondContact O-N 3.39Å; T357-L360 VanDerWaalsContact O-N 3.17Å; T357-L360 VanDerWaalsContact OG1-CB 3.29Å; T357-L360 WeakPolarHBondContact OG1-CB 3.39Å; T357-L360 PolarHBondContact OG1-N 2.96Å; L360-A363 PolarHBondContact O-N 2.95Å; L360-L364 HydrophobicContact CD1-CD1 3.89Å; L360-L364 HydrophobicContact CD1-CG 3.88Å; L360-L364 HydrophobicContact CD2-CD1 4.33Å; L360-L364 HydrophobicContact CG-CD1 3.79Å; L360-L364 HydrophobicContact CG-CG 4.17Å; L360-L364 WeakPolarHBondContact O-CB 3.42Å; L360-L364 WeakPolarHBondContact O-CG 3.38Å; L360-L364 PolarHBondContact O-N 3.04Å; L360-T428 WeakPolarHBondContact CD1-O 3.35Å; L360-P430 HydrophobicContact CD2-CG 3.96Å
361	R	89.9	Confident	87	Confident	93 Å²	93	69.7 Å²	69.7	35%	0.351	37%	0.366	S	S	.	.	H	α-helix	trans	-59.4	-50.6	175.6	-179.4	170.3	-59.9	-89.2	0.4	111	I356 T357 P358 A359 A363 L364 T365 L371 G373	I356-R361 HydrophobicContact CG2-CB 3.77Å; T357-R361 WeakPolarHBondContact O-CB 3.49Å; T357-R361 PolarHBondContact O-N 3.35Å; P358-R361 WeakPolarHBondContact O-CB 3.43Å; P358-R361 PolarHBondContact O-N 2.87Å; A359-R361 VanDerWaalsContact C-N 3.31Å; A359-R361 PolarHBondContact O-N 2.73Å; R361-A363 VanDerWaalsContact C-N 3.34Å; R361-A363 PolarHBondContact O-N 3.28Å; R361-L364 PolarHBondContact O-N 3.45Å; R361-T365 VanDerWaalsContact O-CB 3.32Å; R361-T365 WeakPolarHBondContact O-CB 3.41Å; R361-T365 PolarHBondContact O-N 3.12Å; R361-T365 PolarHBondContact O-OG1 3.36Å; R361-L371 HydrophobicContact CB-CD1 4Å; R361-L371 HydrophobicContact CG-CD1 3.85Å; R361-G373 PolarHBondContact NH2-O 2.95Å
362	E	85.8	Confident	88.3	Confident	113 Å²	113	60.7 Å²	60.7	53%	0.528	32%	0.323	S	S	.	.	H	α-helix	trans	-59.5	-45.5	178.9	-167.8	-172.2	158.3	0	0	111.9	P358 A359 K366	P358-E362 PolarHBondContact O-N 2.86Å; A359-E362 PolarHBondContact O-N 3.22Å; E362-K366 WeakPolarHBondContact O-CG 3.37Å; E362-K366 PolarHBondContact O-N 2.87Å; E362-K366 VanDerWaalsContact O-N 3.12Å; E362-K366 WeakPolarHBondContact OE1-CE 3.1Å; E362-K366 IonicContact OE1-NZ 3.19Å; E362-K366 PolarHBondContact OE1-NZ 3.37Å
363	A	84	Confident	88.9	Confident	44 Å²	44	54.4 Å²	54.4	36%	0.364	31%	0.308	S	S	.	.	H	α-helix	trans	-63.5	-46.2	179.4	0	0	0	0	0	112.7	A359 L360 R361 K366 Q367	A359-A363 PolarHBondContact O-N 3.41Å; A359-A363 VanDerWaalsContact O-N 3.1Å; L360-A363 PolarHBondContact O-N 2.95Å; R361-A363 VanDerWaalsContact C-N 3.34Å; R361-A363 PolarHBondContact O-N 3.28Å; A363-K366 PolarHBondContact O-N 2.94Å; A363-Q367 WeakPolarHBondContact O-CG 3.29Å; A363-Q367 PolarHBondContact O-N 3.08Å
364	L	85	Confident	89.1	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-69.7	-38.5	-179.5	-71	-179.8	0	0	0	112.1	L360 R361 K366 Q367 G368 Y369 L371 L414 R425	L360-L364 HydrophobicContact CD1-CD1 3.89Å; L360-L364 HydrophobicContact CD1-CG 3.88Å; L360-L364 HydrophobicContact CD2-CD1 4.33Å; L360-L364 HydrophobicContact CG-CD1 3.79Å; L360-L364 HydrophobicContact CG-CG 4.17Å; L360-L364 WeakPolarHBondContact O-CB 3.42Å; L360-L364 WeakPolarHBondContact O-CG 3.38Å; L360-L364 PolarHBondContact O-N 3.04Å; R361-L364 PolarHBondContact O-N 3.45Å; L364-K366 VanDerWaalsContact C-N 3.32Å; L364-K366 PolarHBondContact O-N 3.11Å; L364-Q367 CarbonylContact O-C 3.55Å; L364-Q367 WeakPolarHBondContact O-CA 3.14Å; L364-Q367 WeakPolarHBondContact O-CB 3.36Å; L364-Q367 PolarHBondContact O-N 3.2Å; L364-G368 PolarHBondContact O-N 2.96Å; L364-Y369 HydrophobicContact CB-CG 4.31Å; L364-Y369 WeakPolarHBondContact O-CB 3.24Å; L364-Y369 WeakPolarHBondContact O-CD2 3.33Å; L364-Y369 PolarHBondContact O-N 3.2Å; L364-Y369 VanDerWaalsContact O-N 3.14Å; L364-L371 HydrophobicContact CB-CD1 3.87Å; L364-L371 HydrophobicContact CB-CD2 4.11Å; L364-L371 HydrophobicContact CB-CG 4.32Å; L364-L371 HydrophobicContact CD1-CD1 4.16Å; L364-L371 HydrophobicContact CD1-CD2 3.87Å; L364-L414 HydrophobicContact CD1-CD1 4.11Å; L364-L414 HydrophobicContact CD1-CD2 4.48Å; L364-R425 VanDerWaalsContact CD2-NH1 3.33Å; L364-R425 VanDerWaalsContact CD2-NH2 3.28Å
365	T	86.8	Confident	89.2	Confident	73 Å²	73	45.4 Å²	45.4	45%	0.448	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-41.8	175.2	-61.7	0	0	0	0	111.1	R361 Q367 G368	R361-T365 VanDerWaalsContact O-CB 3.32Å; R361-T365 WeakPolarHBondContact O-CB 3.41Å; R361-T365 PolarHBondContact O-N 3.12Å; R361-T365 PolarHBondContact O-OG1 3.36Å; T365-Q367 PolarHBondContact O-N 3.26Å; T365-G368 PolarHBondContact O-N 2.96Å
366	K	82.5	Confident	89.3	Confident	111 Å²	111	45.1 Å²	45.1	48%	0.483	26%	0.264	S	S	.	.	H	α-helix	trans	-59.9	-28.3	172.9	-72.4	172	-175.1	168.6	0	112.8	I160 E362 A363 L364 G368	I160-K366 WeakPolarHBondContact CD1-O 3.34Å; E362-K366 WeakPolarHBondContact O-CG 3.37Å; E362-K366 PolarHBondContact O-N 2.87Å; E362-K366 VanDerWaalsContact O-N 3.12Å; E362-K366 WeakPolarHBondContact OE1-CE 3.1Å; E362-K366 IonicContact OE1-NZ 3.19Å; E362-K366 PolarHBondContact OE1-NZ 3.37Å; A363-K366 PolarHBondContact O-N 2.94Å; L364-K366 VanDerWaalsContact C-N 3.32Å; L364-K366 PolarHBondContact O-N 3.11Å; K366-G368 PolarHBondContact O-N 3.12Å
367	Q	77.6	Confident	89.5	Confident	66 Å²	66	44.7 Å²	44.7	31%	0.308	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	8.9	175.3	-63.2	176.9	16.6	0	0	113.8	A363 L364 T365 Y369 K379	A363-Q367 WeakPolarHBondContact O-CG 3.29Å; A363-Q367 PolarHBondContact O-N 3.08Å; L364-Q367 CarbonylContact O-C 3.55Å; L364-Q367 WeakPolarHBondContact O-CA 3.14Å; L364-Q367 WeakPolarHBondContact O-CB 3.36Å; L364-Q367 PolarHBondContact O-N 3.2Å; T365-Q367 PolarHBondContact O-N 3.26Å; Q367-Y369 HydrophobicContact CB-CD2 4.08Å; Q367-Y369 HydrophobicContact CB-CE2 4.37Å; Q367-K379 PolarHBondContact O-NZ 3.46Å
368	G	84.2	Confident	89.8	Confident	34 Å²	34	41.2 Å²	41.2	35%	0.351	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.3	21	178	0	0	0	0	0	114.8	L364 T365 K366	L364-G368 PolarHBondContact O-N 2.96Å; T365-G368 PolarHBondContact O-N 2.96Å; K366-G368 PolarHBondContact O-N 3.12Å
369	Y	89.5	Confident	90	Very high	1 Å²	1	37.8 Å²	37.8	0%	0.004	21%	0.214	C	C	.	.			trans	-82.3	136.9	173.8	-77.3	-110.9	0	0	0	110.7	L364 Q367 L371 K379 W424 R425 L484 V485	L364-Y369 HydrophobicContact CB-CG 4.31Å; L364-Y369 WeakPolarHBondContact O-CB 3.24Å; L364-Y369 WeakPolarHBondContact O-CD2 3.33Å; L364-Y369 PolarHBondContact O-N 3.2Å; L364-Y369 VanDerWaalsContact O-N 3.14Å; Q367-Y369 HydrophobicContact CB-CD2 4.08Å; Q367-Y369 HydrophobicContact CB-CE2 4.37Å; Y369-L371 HydrophobicContact CD1-CD2 4.29Å; Y369-L371 HydrophobicContact CG-CD2 4.47Å; Y369-K379 HydrophobicContact CD2-CD 3.85Å; Y369-K379 HydrophobicContact CE1-CB 4.5Å; Y369-K379 HydrophobicContact CE2-CD 3.29Å; Y369-K379 HydrophobicContact CE2-CG 4.49Å; Y369-W424 AromaticContact CE2-CH2 3.91Å; Y369-W424 HydrophobicContact CE2-CH2 3.91Å; Y369-W424 HydrophobicContact CE2-CZ2 4.34Å; Y369-W424 WeakPolarHBondContact OH-CH2 3.38Å; Y369-W424 WeakPolarHBondContact OH-CZ2 3.4Å; Y369-R425 VanDerWaalsContact CE2-CZ 3.41Å; Y369-R425 PolarHBondContact OH-NE 3.46Å; Y369-R425 PolarHBondContact OH-NH1 3.39Å; Y369-R425 PolarHBondContact OH-NH2 3.31Å; Y369-R425 VanDerWaalsContact OH-NH2 3.15Å; Y369-L484 HydrophobicContact CD1-CD2 3.92Å; Y369-L484 HydrophobicContact CE1-CD1 3.89Å; Y369-L484 HydrophobicContact CE1-CD2 3.39Å; Y369-L484 HydrophobicContact CE1-CG 3.59Å; Y369-L484 WeakPolarHBondContact OH-CD1 3.37Å; Y369-V485 HydrophobicContact CE1-CG1 4.18Å
370	Q	94.5	Very high	90.3	Very high	69 Å²	69	35 Å²	35	32%	0.322	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	99.4	162.8	-56.8	-58	-44.4	0	0	107.3	G377 V378 N452 M456	Q370-G377 VanDerWaalsContact O-CA 3.31Å; Q370-G377 WeakPolarHBondContact O-CA 3.45Å; Q370-V378 HydrophobicContact CB-CG1 3.74Å; Q370-V378 PolarHBondContact N-O 3.42Å; Q370-V378 PolarHBondContact O-N 3.19Å; Q370-N452 HydrophobicContact CB-CB 3.82Å; Q370-N452 HydrophobicContact CG-CB 4.18Å; Q370-M456 HydrophobicContact CG-CE 4.26Å; Q370-M456 HydrophobicContact CG-CG 4.24Å; Q370-M456 HydrophobicContact CG-SD 3.85Å
371	L	94.9	Very high	90.5	Very high	18 Å²	18	35.5 Å²	35.5	9%	0.094	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	136	-176.7	-61.9	-179.5	0	0	0	111	I356 R361 L364 Y369 L414	I356-L371 HydrophobicContact CD1-CB 4.16Å; I356-L371 HydrophobicContact CD1-CD1 4.31Å; I356-L371 HydrophobicContact CD1-CD2 4.3Å; I356-L371 HydrophobicContact CD1-CG 4.49Å; I356-L371 HydrophobicContact CG2-CD1 3.82Å; R361-L371 HydrophobicContact CB-CD1 4Å; R361-L371 HydrophobicContact CG-CD1 3.85Å; L364-L371 HydrophobicContact CB-CD1 3.87Å; L364-L371 HydrophobicContact CB-CD2 4.11Å; L364-L371 HydrophobicContact CB-CG 4.32Å; L364-L371 HydrophobicContact CD1-CD1 4.16Å; L364-L371 HydrophobicContact CD1-CD2 3.87Å; Y369-L371 HydrophobicContact CD1-CD2 4.29Å; Y369-L371 HydrophobicContact CG-CD2 4.47Å; L371-L414 HydrophobicContact CD2-CD1 4.29Å
372	I	96.6	Very high	90.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.3	-170.5	-64.4	160.6	0	0	0	108.3	S374 S376 V378 M444 I445 E448 A449	I372-S374 PolarHBondContact O-N 3.08Å; I372-S376 PolarHBondContact N-O 2.92Å; I372-S376 WeakPolarHBondContact O-CB 3.47Å; I372-S376 PolarHBondContact O-N 2.89Å; I372-V378 HydrophobicContact CD1-CB 4.19Å; I372-V378 HydrophobicContact CD1-CG1 4.01Å; I372-M444 HydrophobicContact CG2-SD 3.94Å; I372-I445 HydrophobicContact CG2-CB 4.44Å; I372-I445 HydrophobicContact CG2-CG1 4.44Å; I372-I445 HydrophobicContact CG2-CG2 4.35Å; I372-E448 HydrophobicContact CD1-CB 4.43Å; I372-E448 HydrophobicContact CG1-CB 4.08Å; I372-E448 HydrophobicContact CG2-CB 3.79Å; I372-E448 WeakPolarHBondContact CG2-OE2 3.49Å; I372-A449 VanDerWaalsContact CD1-CA 3.49Å; I372-A449 HydrophobicContact CD1-CB 3.69Å
373	G	94.4	Very high	90.7	Very high	26 Å²	26	36.3 Å²	36.3	27%	0.268	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	-135.4	-176.4	0	0	0	0	0	113.3	R361	R361-G373 PolarHBondContact NH2-O 2.95Å
374	S	94.8	Very high	91.2	Very high	10 Å²	10	34.2 Å²	34.2	7%	0.07	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.8	-12	-174.1	72.3	0	0	0	0	114.4	M355 I356 I372 D440	M355-S374 CarbonylContact C-O 3.5Å; M355-S374 WeakPolarHBondContact CA-O 3.32Å; M355-S374 WeakPolarHBondContact CB-O 3.39Å; M355-S374 PolarHBondContact N-O 3.38Å; I356-S374 WeakPolarHBondContact CG1-O 3.47Å; I356-S374 PolarHBondContact N-O 3.37Å; I372-S374 PolarHBondContact O-N 3.08Å; S374-D440 WeakPolarHBondContact CA-OD2 3.33Å; S374-D440 WeakPolarHBondContact CB-OD2 3.43Å; S374-D440 PolarHBondContact N-OD2 3.31Å; S374-D440 VanDerWaalsContact OG-CG 3.3Å; S374-D440 PolarHBondContact OG-OD1 3.5Å; S374-D440 PolarHBondContact OG-OD2 2.67Å
375	H	95	Very high	91.4	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-150.8	-3.3	-172.5	61.7	76.6	0	0	0	117.3	M355 P412 L414 W435 K438 D440 Y491	M355-H375 HydrophobicContact CB-CB 3.64Å; M355-H375 HydrophobicContact CE-CB 3.75Å; M355-H375 HydrophobicContact CG-CB 4.27Å; M355-H375 HydrophobicContact SD-CB 3.72Å; H375-P412 PolarHBondContact CE1-O 2.93Å; H375-P412 VanDerWaalsContact CE1-O 3.28Å; H375-P412 PolarHBondContact ND1-O 3.29Å; H375-L414 WeakPolarHBondContact O-CG 3.39Å; H375-L414 PolarHBondContact O-N 3.22Å; H375-W435 HydrophobicContact CB-CH2 4.12Å; H375-W435 HydrophobicContact CB-CZ2 4.48Å; H375-W435 AromaticContact CD2-CH2 3.87Å; H375-W435 AromaticContact CD2-CZ2 3.69Å; H375-W435 AromaticContact CE1-CH2 3.78Å; H375-W435 AromaticContact CG-CH2 3.65Å; H375-W435 AromaticContact CG-CZ2 3.94Å; H375-W435 AromaticContact ND1-CH2 3.62Å; H375-W435 AromaticContact NE2-CH2 3.93Å; H375-W435 AromaticContact NE2-CZ2 3.8Å; H375-K438 PolarHBondContact CD2-O 3.07Å; H375-K438 VanDerWaalsContact CD2-O 3.22Å; H375-D440 IonicContact CD2-OD2 3.82Å; H375-D440 PolarHBondContact CD2-OD2 3.09Å; H375-D440 IonicContact CG-OD2 3.24Å; H375-D440 WeakPolarHBondContact NE2-CB 3.42Å; H375-D440 PolarHBondContact NE2-N 3.5Å; H375-D440 IonicContact NE2-OD2 3.63Å; H375-D440 PolarHBondContact NE2-OD2 2.6Å; H375-Y491 AromaticContact CE1-CD2 3.72Å; H375-Y491 AromaticContact CE1-CE2 3.48Å; H375-Y491 VanDerWaalsContact CE1-CE2 3.48Å; H375-Y491 WeakPolarHBondContact CE1-CE2 3.35Å; H375-Y491 AromaticContact NE2-CE2 3.85Å
376	S	96.8	Very high	91.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	167.9	-172.2	-60.2	0	0	0	0	112.2	I372 T411 P412	I372-S376 PolarHBondContact N-O 2.92Å; I372-S376 WeakPolarHBondContact O-CB 3.47Å; I372-S376 PolarHBondContact O-N 2.89Å; S376-T411 VanDerWaalsContact CA-O 3.32Å; S376-T411 WeakPolarHBondContact CA-O 3.49Å; S376-T411 WeakPolarHBondContact CB-O 3.38Å; S376-P412 WeakPolarHBondContact OG-CA 3.31Å; S376-P412 PolarHBondContact OG-O 3.26Å
377	G	95.6	Very high	92.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.9	155	171.9	0	0	0	0	0	114	Q370 T410 T411 L484	Q370-G377 VanDerWaalsContact O-CA 3.31Å; Q370-G377 WeakPolarHBondContact O-CA 3.45Å; G377-T410 CarbonylContact O-C 3.55Å; G377-T410 WeakPolarHBondContact O-CA 3.37Å; G377-T410 PolarHBondContact O-OG1 3.06Å; G377-T411 PolarHBondContact N-O 2.89Å; G377-T411 PolarHBondContact O-N 3.3Å; G377-L484 WeakPolarHBondContact O-CD2 3.48Å
378	V	96.7	Very high	93	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	147.7	177	67.6	0	0	0	0	110	Q370 I372 M408 E409 N452 H453 M456	Q370-V378 HydrophobicContact CB-CG1 3.74Å; Q370-V378 PolarHBondContact N-O 3.42Å; Q370-V378 PolarHBondContact O-N 3.19Å; I372-V378 HydrophobicContact CD1-CB 4.19Å; I372-V378 HydrophobicContact CD1-CG1 4.01Å; V378-M408 HydrophobicContact CG2-CG 3.67Å; V378-M408 HydrophobicContact CG2-SD 4.29Å; V378-E409 WeakPolarHBondContact CA-O 3.46Å; V378-E409 VanDerWaalsContact CG2-O 3.28Å; V378-E409 WeakPolarHBondContact CG2-O 3.28Å; V378-N452 HydrophobicContact CG1-CB 3.53Å; V378-H453 HydrophobicContact CG2-CB 4.35Å; V378-M456 HydrophobicContact CG1-CE 4.19Å; V378-M456 HydrophobicContact CG2-CE 4.3Å
379	K	93.5	Very high	93.4	Very high	41 Å²	41	26 Å²	26	18%	0.178	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	151.7	175.3	179.8	165.9	173.1	172.5	0	110.2	Q367 Y369 E409 L484	Q367-K379 PolarHBondContact O-NZ 3.46Å; Y369-K379 HydrophobicContact CD2-CD 3.85Å; Y369-K379 HydrophobicContact CE1-CB 4.5Å; Y369-K379 HydrophobicContact CE2-CD 3.29Å; Y369-K379 HydrophobicContact CE2-CG 4.49Å; K379-E409 PolarHBondContact N-O 2.89Å; K379-L484 HydrophobicContact CB-CD1 3.67Å; K379-L484 HydrophobicContact CB-CD2 4Å; K379-L484 HydrophobicContact CD-CD1 4.45Å; K379-L484 HydrophobicContact CG-CD1 4.49Å
380	L	92.1	Very high	93.5	Very high	17 Å²	17	26.1 Å²	26.1	9%	0.089	13%	0.125	C	C	.	.			trans	-77.3	126.9	174.2	-158.8	68.9	0	0	0	111	T384 K385 M456 I457 F460	L380-T384 HydrophobicContact CD1-CG2 3.52Å; L380-T384 HydrophobicContact CD2-CG2 4.28Å; L380-T384 HydrophobicContact CG-CG2 3.93Å; L380-K385 HydrophobicContact CD2-CG 3.97Å; L380-M456 HydrophobicContact CB-CE 4.35Å; L380-M456 HydrophobicContact CB-SD 4.06Å; L380-M456 HydrophobicContact CD1-CB 4.48Å; L380-I457 HydrophobicContact CD1-CD1 3.8Å; L380-I457 HydrophobicContact CD1-CG1 4.45Å; L380-F460 HydrophobicContact CD2-CD2 4.25Å; L380-F460 HydrophobicContact CD2-CE2 3.29Å; L380-F460 HydrophobicContact CD2-CZ 3.69Å
381	C	91.3	Very high	93.4	Very high	29 Å²	29	25 Å²	25	20%	0.196	12%	0.118	C	C	.	.			trans	-65.4	144.9	174.7	-174.7	0	0	0	0	110.3	W383 T384	C381-W383 PolarHBondContact O-N 3.38Å; C381-T384 WeakPolarHBondContact CB-OG1 3.44Å; C381-T384 VanDerWaalsContact O-CB 3.31Å; C381-T384 WeakPolarHBondContact O-CB 3.29Å; C381-T384 PolarHBondContact O-N 2.82Å; C381-T384 VanDerWaalsContact O-N 3.14Å
382	R	86.8	Confident	93.2	Very high	176 Å²	176	24.2 Å²	24.2	66%	0.664	11%	0.114	S	C	*	.	H	α-helix	trans	-54	-40.9	173.3	177.7	-178.6	172.5	-172.6	-4.2	111.8	T384 K385 S386	R382-T384 VanDerWaalsContact C-N 3.32Å; R382-T384 PolarHBondContact O-N 3.09Å; R382-K385 WeakPolarHBondContact O-CB 3.49Å; R382-K385 PolarHBondContact O-N 3.38Å; R382-S386 PolarHBondContact O-N 3.22Å
383	W	92.3	Very high	93.1	Very high	46 Å²	46	24.5 Å²	24.5	17%	0.174	12%	0.117	C	C	.	.	H	α-helix	trans	-73.7	-22.7	-177.2	-66.6	98.9	0	0	0	113.4	C381 K385 S386 M387 G393 C394 H647 H649 S650	C381-W383 PolarHBondContact O-N 3.38Å; W383-K385 VanDerWaalsContact C-N 3.33Å; W383-S386 PolarHBondContact O-N 3.04Å; W383-M387 WeakPolarHBondContact O-CB 3.4Å; W383-M387 PolarHBondContact O-N 3.46Å; W383-G393 WeakPolarHBondContact CZ3-O 3.39Å; W383-C394 HydrophobicContact CB-CB 3.66Å; W383-C394 VanDerWaalsContact CD1-CB 3.48Å; W383-C394 HydrophobicContact CD2-CB 3.6Å; W383-C394 HydrophobicContact CE3-CB 4.26Å; W383-C394 HydrophobicContact CG-CB 3.31Å; W383-H647 AromaticContact CH2-CE1 3.86Å; W383-H649 AromaticContact CH2-CD2 3.37Å; W383-H649 WeakPolarHBondContact CH2-CD2 3.35Å; W383-H649 AromaticContact CH2-NE2 3.93Å; W383-H649 AromaticContact CZ3-CD2 3.75Å; W383-S650 WeakPolarHBondContact CZ2-OG 3.31Å
384	T	93.8	Very high	93.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-59	-47.3	169.3	-55	0	0	0	0	110.3	L380 C381 R382 S386 M387 L388 S404 I457	L380-T384 HydrophobicContact CD1-CG2 3.52Å; L380-T384 HydrophobicContact CD2-CG2 4.28Å; L380-T384 HydrophobicContact CG-CG2 3.93Å; C381-T384 WeakPolarHBondContact CB-OG1 3.44Å; C381-T384 VanDerWaalsContact O-CB 3.31Å; C381-T384 WeakPolarHBondContact O-CB 3.29Å; C381-T384 PolarHBondContact O-N 2.82Å; C381-T384 VanDerWaalsContact O-N 3.14Å; R382-T384 VanDerWaalsContact C-N 3.32Å; R382-T384 PolarHBondContact O-N 3.09Å; T384-S386 VanDerWaalsContact C-N 3.28Å; T384-S386 PolarHBondContact O-N 3.03Å; T384-M387 PolarHBondContact O-N 3.03Å; T384-L388 HydrophobicContact CG2-CD1 4.02Å; T384-L388 HydrophobicContact CG2-CG 4.36Å; T384-L388 WeakPolarHBondContact O-CB 3.41Å; T384-L388 VanDerWaalsContact O-CG 3.24Å; T384-L388 WeakPolarHBondContact O-CG 3.18Å; T384-L388 PolarHBondContact O-N 2.61Å; T384-S404 WeakPolarHBondContact CB-O 3.41Å; T384-S404 PolarHBondContact OG1-O 3.37Å; T384-I457 HydrophobicContact CG2-CD1 3.63Å
385	K	89.9	Confident	93.2	Very high	64 Å²	64	24 Å²	24	28%	0.278	11%	0.107	S	C	.	.	H	α-helix	trans	-59	-40.7	177.1	-54.1	-166	-178.5	-168.7	0	111.7	E157 L380 R382 W383 R389 F460	E157-K385 IonicContact OE2-NZ 3.55Å; E157-K385 PolarHBondContact OE2-NZ 3.43Å; L380-K385 HydrophobicContact CD2-CG 3.97Å; R382-K385 WeakPolarHBondContact O-CB 3.49Å; R382-K385 PolarHBondContact O-N 3.38Å; W383-K385 VanDerWaalsContact C-N 3.33Å; K385-R389 WeakPolarHBondContact O-CG 3.24Å; K385-F460 HydrophobicContact CB-CE1 4.15Å; K385-F460 HydrophobicContact CB-CZ 4.36Å; K385-F460 HydrophobicContact CD-CE1 4.02Å; K385-F460 HydrophobicContact CD-CZ 3.69Å; K385-F460 HydrophobicContact CG-CE1 3.86Å; K385-F460 HydrophobicContact CG-CZ 3.57Å
386	S	91.1	Very high	93.3	Very high	26 Å²	26	25 Å²	25	18%	0.182	11%	0.111	C	C	.	.	H	α-helix	trans	-65.9	-50.5	178.7	-175.7	0	0	0	0	112.3	R382 W383 T384 L388 R389 G390 R391 G392	R382-S386 PolarHBondContact O-N 3.22Å; W383-S386 PolarHBondContact O-N 3.04Å; T384-S386 VanDerWaalsContact C-N 3.28Å; T384-S386 PolarHBondContact O-N 3.03Å; S386-L388 PolarHBondContact O-N 3.19Å; S386-R389 CarbonylContact O-C 3.58Å; S386-R389 PolarHBondContact O-N 3.47Å; S386-G390 PolarHBondContact O-N 2.65Å; S386-R391 PolarHBondContact O-N 2.96Å; S386-R391 PolarHBondContact OG-O 2.73Å; S386-G392 WeakPolarHBondContact CB-O 3.4Å; S386-G392 PolarHBondContact OG-O 2.98Å
387	M	94.8	Very high	93.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-71.4	-32.4	-175.3	-163.7	168.2	-175.9	0	0	112.4	W383 T384 R389 G390 G392 E403 S404 H405	W383-M387 WeakPolarHBondContact O-CB 3.4Å; W383-M387 PolarHBondContact O-N 3.46Å; T384-M387 PolarHBondContact O-N 3.03Å; M387-R389 PolarHBondContact O-N 3.4Å; M387-R389 VanDerWaalsContact O-N 3.15Å; M387-G390 PolarHBondContact O-N 3.01Å; M387-G392 PolarHBondContact N-O 3.34Å; M387-E403 HydrophobicContact CE-CB 4.24Å; M387-E403 HydrophobicContact CE-CG 4.33Å; M387-S404 PolarHBondContact SD-N 3.27Å; M387-H405 HydrophobicContact CB-CB 4.25Å; M387-H405 HydrophobicContact CG-CB 4.4Å; M387-H405 PolarHBondContact SD-ND1 2.79Å; M387-H405 VanDerWaalsContact SD-ND1 3.41Å
388	L	94.7	Very high	93.4	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-55.9	-29.4	169.3	-78.1	172.2	0	0	0	112.5	T384 S386 H405 I457 F460 V466 K467 R470	T384-L388 HydrophobicContact CG2-CD1 4.02Å; T384-L388 HydrophobicContact CG2-CG 4.36Å; T384-L388 WeakPolarHBondContact O-CB 3.41Å; T384-L388 VanDerWaalsContact O-CG 3.24Å; T384-L388 WeakPolarHBondContact O-CG 3.18Å; T384-L388 PolarHBondContact O-N 2.61Å; S386-L388 PolarHBondContact O-N 3.19Å; L388-H405 HydrophobicContact CD2-CB 3.97Å; L388-H405 HydrophobicContact CG-CB 4.02Å; L388-I457 HydrophobicContact CD1-CD1 4Å; L388-F460 HydrophobicContact CD1-CB 4.22Å; L388-F460 HydrophobicContact CD1-CD1 4.28Å; L388-F460 HydrophobicContact CD1-CD2 4.17Å; L388-F460 HydrophobicContact CD1-CG 3.94Å; L388-V466 WeakPolarHBondContact O-CA 3.32Å; L388-K467 PolarHBondContact O-N 3.27Å; L388-R470 HydrophobicContact CD2-CB 4.38Å; L388-R470 WeakPolarHBondContact CD2-O 3.5Å
389	R	92	Very high	93.5	Very high	24 Å²	24	25.6 Å²	25.6	9%	0.091	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	4.9	180	-57.7	176.6	81.3	-179.5	-2	113.4	D117 K385 S386 M387 R391 P464 G465 V466	D117-R389 VanDerWaalsContact CG-NH2 3.27Å; D117-R389 IonicContact OD1-NH1 3.08Å; D117-R389 IonicContact OD2-CZ 2.76Å; D117-R389 IonicContact OD2-NH1 3.08Å; D117-R389 PolarHBondContact OD2-NH1 3.11Å; D117-R389 IonicContact OD2-NH2 3.02Å; D117-R389 PolarHBondContact OD2-NH2 2.93Å; K385-R389 WeakPolarHBondContact O-CG 3.24Å; S386-R389 CarbonylContact O-C 3.58Å; S386-R389 PolarHBondContact O-N 3.47Å; M387-R389 PolarHBondContact O-N 3.4Å; M387-R389 VanDerWaalsContact O-N 3.15Å; R389-R391 HydrophobicContact CB-CG 3.98Å; R389-R391 PolarHBondContact O-N 2.63Å; R389-P464 PolarHBondContact NE-O 3.32Å; R389-P464 PolarHBondContact NH2-O 3.07Å; R389-G465 WeakPolarHBondContact CA-O 3.41Å; R389-G465 WeakPolarHBondContact CB-O 3.3Å; R389-V466 HydrophobicContact CG-CG2 3.83Å
390	G	92.3	Very high	93.8	Very high	2 Å²	2	23.7 Å²	23.7	2%	0.021	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.6	30	-173.5	0	0	0	0	0	114	S386 M387 D717 T718	S386-G390 PolarHBondContact O-N 2.65Å; M387-G390 PolarHBondContact O-N 3.01Å; G390-D717 VanDerWaalsContact CA-OD1 3.25Å; G390-D717 WeakPolarHBondContact CA-OD1 3.46Å; G390-D717 WeakPolarHBondContact O-CA 3.25Å; G390-D717 WeakPolarHBondContact O-CB 3.47Å; G390-T718 PolarHBondContact O-N 3.13Å
391	R	91.5	Very high	94	Very high	47 Å²	47	23.3 Å²	23.3	18%	0.177	11%	0.106	C	C	.	.	S	Bend	trans	-97.7	10.9	-179	-63.1	-179.5	-177.9	-166.3	-2.8	113.6	D117 D120 S386 R389 T718 H720	D117-R391 IonicContact OD2-NH1 3.03Å; D117-R391 IonicContact OD2-NH2 3.52Å; D120-R391 VanDerWaalsContact CG-NH1 3.32Å; D120-R391 IonicContact OD1-CZ 3.18Å; D120-R391 IonicContact OD1-NH1 3.04Å; D120-R391 PolarHBondContact OD1-NH1 3.4Å; D120-R391 IonicContact OD1-NH2 3.45Å; D120-R391 IonicContact OD2-CZ 3.9Å; D120-R391 VanDerWaalsContact OD2-CZ 3.26Å; D120-R391 IonicContact OD2-NH1 2.74Å; D120-R391 PolarHBondContact OD2-NH1 3.05Å; D120-R391 IonicContact OD2-NH2 2.75Å; D120-R391 PolarHBondContact OD2-NH2 3.08Å; S386-R391 PolarHBondContact O-N 2.96Å; S386-R391 PolarHBondContact OG-O 2.73Å; R389-R391 HydrophobicContact CB-CG 3.98Å; R389-R391 PolarHBondContact O-N 2.63Å; R391-T718 WeakPolarHBondContact CA-O 3.49Å; R391-H720 HydrophobicContact CB-CB 4.24Å; R391-H720 HydrophobicContact CG-CB 4.03Å
392	G	92.4	Very high	94.3	Very high	1 Å²	1	22 Å²	22	1%	0.01	10%	0.097	C	C	.	.			trans	109.9	142.2	-179.7	0	0	0	0	0	113	S386 M387 D717	S386-G392 WeakPolarHBondContact CB-O 3.4Å; S386-G392 PolarHBondContact OG-O 2.98Å; M387-G392 PolarHBondContact N-O 3.34Å; G392-D717 WeakPolarHBondContact CA-OD2 3.47Å; G392-D717 PolarHBondContact N-OD2 3.14Å
393	G	93.2	Very high	94.8	Very high	5 Å²	5	15.5 Å²	15.5	5%	0.052	7%	0.074	C	C	.	.			trans	-84.3	172.4	168.1	0	0	0	0	0	113.3	W383	W383-G393 WeakPolarHBondContact CZ3-O 3.39Å
394	C	94.4	Very high	95	Very high	11 Å²	11	13.5 Å²	13.5	7%	0.074	7%	0.067	C	C	.	.			trans	-73.2	167.6	173.6	75.8	0	0	0	0	112	W383 K396 H397 S404	W383-C394 HydrophobicContact CB-CB 3.66Å; W383-C394 VanDerWaalsContact CD1-CB 3.48Å; W383-C394 HydrophobicContact CD2-CB 3.6Å; W383-C394 HydrophobicContact CE3-CB 4.26Å; W383-C394 HydrophobicContact CG-CB 3.31Å; C394-K396 PolarHBondContact O-N 3.25Å; C394-K396 VanDerWaalsContact SG-CB 3.52Å; C394-K396 PolarHBondContact SG-N 3.46Å; C394-H397 WeakPolarHBondContact O-CB 3.46Å; C394-H397 PolarHBondContact O-N 3.48Å; C394-S404 PolarHBondContact N-OG 3.42Å; C394-S404 PolarHBondContact SG-OG 3.29Å
395	Y	96.6	Very high	95.1	Very high	14 Å²	14	13.5 Å²	13.5	6%	0.055	7%	0.067	C	C	.	.	H	α-helix	trans	-53.1	-25	176.8	74.3	-91.7	0	0	0	114.4	H397 T398 F399 R573 E601 K603 C652	Y395-H397 PolarHBondContact O-N 3.45Å; Y395-T398 VanDerWaalsContact O-CB 3.29Å; Y395-T398 WeakPolarHBondContact O-CB 3.47Å; Y395-T398 PolarHBondContact O-N 2.74Å; Y395-F399 AromaticContact CD2-CD2 3.52Å; Y395-F399 HydrophobicContact CD2-CD2 3.52Å; Y395-F399 AromaticContact CD2-CE2 3.46Å; Y395-F399 HydrophobicContact CD2-CE2 3.46Å; Y395-F399 VanDerWaalsContact CD2-CE2 3.46Å; Y395-F399 HydrophobicContact CD2-CG 4.25Å; Y395-F399 HydrophobicContact CD2-CZ 4.14Å; Y395-F399 HydrophobicContact CE2-CD2 4.03Å; Y395-F399 HydrophobicContact CE2-CE2 4.07Å; Y395-F399 HydrophobicContact CG-CE2 4.41Å; Y395-F399 WeakPolarHBondContact O-CD1 3.39Å; Y395-F399 WeakPolarHBondContact O-CG 3.41Å; Y395-F399 PolarHBondContact O-N 3.34Å; Y395-R573 PolarHBondContact OH-NE 3.09Å; Y395-R573 PolarHBondContact OH-NH2 2.89Å; Y395-E601 HydrophobicContact CE2-CG 4.5Å; Y395-E601 WeakPolarHBondContact CE2-OE1 3.5Å; Y395-E601 PolarHBondContact OH-OE2 3.41Å; Y395-K603 HydrophobicContact CE1-CD 4.43Å; Y395-C652 HydrophobicContact CD2-CB 4.46Å; Y395-C652 HydrophobicContact CG-CB 4.17Å
396	K	97.6	Very high	95.5	Very high	21 Å²	21	12.6 Å²	12.6	9%	0.091	6%	0.062	C	C	.	.	H	α-helix	trans	-68.9	-24.8	177	-62.5	-174	177.3	178.7	0	112.9	C394 Y400 G401 I402	C394-K396 PolarHBondContact O-N 3.25Å; C394-K396 VanDerWaalsContact SG-CB 3.52Å; C394-K396 PolarHBondContact SG-N 3.46Å; K396-Y400 HydrophobicContact CB-CD2 4.4Å; K396-Y400 PolarHBondContact O-N 3.16Å; K396-G401 PolarHBondContact O-N 3.32Å; K396-I402 HydrophobicContact CB-CB 4Å; K396-I402 HydrophobicContact CB-CD1 3.97Å; K396-I402 HydrophobicContact CB-CG1 4.45Å; K396-I402 HydrophobicContact CD-CD1 4.25Å; K396-I402 PolarHBondContact O-N 3.16Å
397	H	97.6	Very high	95.8	Very high	11 Å²	11	12 Å²	12	5%	0.051	6%	0.058	C	C	.	.	H	α-helix	trans	-63.8	-50.3	169	-173.9	60.1	0	0	0	109.9	C394 Y395 F399 G401 I402 W669 W703 D714	C394-H397 WeakPolarHBondContact O-CB 3.46Å; C394-H397 PolarHBondContact O-N 3.48Å; Y395-H397 PolarHBondContact O-N 3.45Å; H397-F399 PolarHBondContact O-N 3.02Å; H397-G401 VanDerWaalsContact O-CA 3.24Å; H397-G401 WeakPolarHBondContact O-CA 3.45Å; H397-G401 PolarHBondContact O-N 2.65Å; H397-I402 WeakPolarHBondContact CA-O 3.41Å; H397-I402 WeakPolarHBondContact CB-O 3.5Å; H397-W669 VanDerWaalsContact O-CZ2 3.28Å; H397-W669 WeakPolarHBondContact O-CZ2 3.49Å; H397-W703 AromaticContact CD2-CH2 3.71Å; H397-W703 AromaticContact NE2-CH2 3.91Å; H397-D714 IonicContact CD2-OD2 2.84Å; H397-D714 IonicContact CE1-OD2 3.96Å; H397-D714 IonicContact NE2-OD2 3.07Å; H397-D714 PolarHBondContact NE2-OD2 3.2Å
398	T	97.8	Very high	96	Very high	3 Å²	3	12 Å²	12	2%	0.018	6%	0.058	C	C	.	.	H	α-helix	trans	-56.4	-48.4	175	-46	0	0	0	0	112	Y395 E646 H647 W669 W703 A704 G712	Y395-T398 VanDerWaalsContact O-CB 3.29Å; Y395-T398 WeakPolarHBondContact O-CB 3.47Å; Y395-T398 PolarHBondContact O-N 2.74Å; T398-E646 WeakPolarHBondContact CG2-O 3.39Å; T398-H647 HydrophobicContact CG2-CB 4.46Å; T398-H647 PolarHBondContact OG1-CD2 2.66Å; T398-H647 VanDerWaalsContact OG1-CD2 3.29Å; T398-W669 PolarHBondContact O-NE1 3.13Å; T398-W703 HydrophobicContact CG2-CZ3 3.94Å; T398-A704 HydrophobicContact CG2-CB 3.58Å; T398-A704 WeakPolarHBondContact O-CB 3.48Å; T398-G712 VanDerWaalsContact CG2-CA 3.46Å; T398-G712 WeakPolarHBondContact CG2-O 3.37Å; T398-G712 PolarHBondContact OG1-O 3.21Å
399	F	98.4	Very high	96.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-78.7	-37.8	-170.7	-68.1	1.3	0	0	0	113.7	Y395 H397 E601 C645 H647 C652 L654 T668	Y395-F399 AromaticContact CD2-CD2 3.52Å; Y395-F399 HydrophobicContact CD2-CD2 3.52Å; Y395-F399 AromaticContact CD2-CE2 3.46Å; Y395-F399 HydrophobicContact CD2-CE2 3.46Å; Y395-F399 VanDerWaalsContact CD2-CE2 3.46Å; Y395-F399 HydrophobicContact CD2-CG 4.25Å; Y395-F399 HydrophobicContact CD2-CZ 4.14Å; Y395-F399 HydrophobicContact CE2-CD2 4.03Å; Y395-F399 HydrophobicContact CE2-CE2 4.07Å; Y395-F399 HydrophobicContact CG-CE2 4.41Å; Y395-F399 WeakPolarHBondContact O-CD1 3.39Å; Y395-F399 WeakPolarHBondContact O-CG 3.41Å; Y395-F399 PolarHBondContact O-N 3.34Å; H397-F399 PolarHBondContact O-N 3.02Å; F399-E601 HydrophobicContact CD2-CG 4.39Å; F399-E601 HydrophobicContact CE2-CG 4.42Å; F399-C645 HydrophobicContact CD1-CB 3.52Å; F399-C645 HydrophobicContact CE1-CB 3.68Å; F399-H647 HydrophobicContact CE1-CB 4.26Å; F399-C652 HydrophobicContact CE2-CB 4.46Å; F399-C652 HydrophobicContact CZ-CB 4.13Å; F399-L654 HydrophobicContact CB-CD2 3.93Å; F399-L654 HydrophobicContact CD1-CB 3.95Å; F399-L654 HydrophobicContact CD1-CD2 4.37Å; F399-L654 HydrophobicContact CD2-CB 3.78Å; F399-L654 HydrophobicContact CD2-CD1 3.92Å; F399-L654 HydrophobicContact CD2-CD2 4.33Å; F399-L654 HydrophobicContact CD2-CG 4.23Å; F399-L654 HydrophobicContact CE1-CB 3.91Å; F399-L654 HydrophobicContact CE2-CB 3.72Å; F399-L654 HydrophobicContact CE2-CD1 4.36Å; F399-L654 HydrophobicContact CG-CB 3.92Å; F399-L654 HydrophobicContact CG-CD1 4.4Å; F399-L654 HydrophobicContact CG-CD2 3.97Å; F399-L654 HydrophobicContact CG-CG 4.33Å; F399-L654 HydrophobicContact CZ-CB 3.8Å; F399-T668 CarbonylContact O-C 3.36Å; F399-T668 WeakPolarHBondContact O-CB 3.45Å; F399-T668 PolarHBondContact O-OG1 3.2Å
400	Y	98.5	Very high	96.3	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-136	1.2	-165.6	-47.7	-60.3	0	0	0	114.3	K396 I402 Q528 F599 E601 L654 I670 Y672	K396-Y400 HydrophobicContact CB-CD2 4.4Å; K396-Y400 PolarHBondContact O-N 3.16Å; Y400-I402 VanDerWaalsContact C-N 3.35Å; Y400-I402 HydrophobicContact CD2-CD1 4.08Å; Y400-I402 HydrophobicContact CG-CD1 4.47Å; Y400-Q528 VanDerWaalsContact CE2-NE2 3.33Å; Y400-Q528 VanDerWaalsContact CZ-NE2 3.3Å; Y400-F599 HydrophobicContact CE1-CD1 4.43Å; Y400-F599 HydrophobicContact CE1-CD2 4.34Å; Y400-F599 HydrophobicContact CE1-CG 4.23Å; Y400-E601 VanDerWaalsContact CE2-OE1 3.24Å; Y400-E601 WeakPolarHBondContact CE2-OE1 3.09Å; Y400-E601 PolarHBondContact OH-OE1 2.94Å; Y400-L654 HydrophobicContact CE1-CD1 4.21Å; Y400-L654 HydrophobicContact CE1-CD2 4.26Å; Y400-L654 WeakPolarHBondContact OH-CD1 3.33Å; Y400-I670 PolarHBondContact O-N 3.42Å; Y400-Y672 PolarHBondContact O-OH 3.36Å
401	G	97.3	Very high	96.5	Very high	9 Å²	9	12.9 Å²	12.9	9%	0.093	6%	0.062	C	C	.	.			trans	71.1	26.7	-175.6	0	0	0	0	0	113.9	K396 H397 E403	K396-G401 PolarHBondContact O-N 3.32Å; H397-G401 VanDerWaalsContact O-CA 3.24Å; H397-G401 WeakPolarHBondContact O-CA 3.45Å; H397-G401 PolarHBondContact O-N 2.65Å; G401-E403 PolarHBondContact O-N 2.96Å
402	I	97.6	Very high	96.7	Very high	2 Å²	2	10.6 Å²	10.6	1%	0.01	5%	0.054	C	C	.	.			trans	-81.3	106.4	178.7	-62.1	168.4	0	0	0	110.1	K396 H397 Y400 S404 C407 H479 F509 Y672	K396-I402 HydrophobicContact CB-CB 4Å; K396-I402 HydrophobicContact CB-CD1 3.97Å; K396-I402 HydrophobicContact CB-CG1 4.45Å; K396-I402 HydrophobicContact CD-CD1 4.25Å; K396-I402 PolarHBondContact O-N 3.16Å; H397-I402 WeakPolarHBondContact CA-O 3.41Å; H397-I402 WeakPolarHBondContact CB-O 3.5Å; Y400-I402 VanDerWaalsContact C-N 3.35Å; Y400-I402 HydrophobicContact CD2-CD1 4.08Å; Y400-I402 HydrophobicContact CG-CD1 4.47Å; I402-S404 PolarHBondContact O-N 3.14Å; I402-C407 HydrophobicContact CG2-CB 4.44Å; I402-H479 HydrophobicContact CG2-CB 4.19Å; I402-F509 HydrophobicContact CD1-CD1 3.83Å; I402-F509 HydrophobicContact CD1-CD2 4.39Å; I402-F509 HydrophobicContact CD1-CE1 3.26Å; I402-F509 HydrophobicContact CD1-CE2 3.84Å; I402-F509 HydrophobicContact CD1-CG 4.38Å; I402-F509 HydrophobicContact CD1-CZ 3.23Å; I402-F509 HydrophobicContact CG1-CE1 4.12Å; I402-F509 HydrophobicContact CG1-CE2 4.18Å; I402-F509 HydrophobicContact CG1-CZ 3.63Å; I402-Y672 WeakPolarHBondContact CG1-OH 3.34Å
403	E	96.8	Very high	96.9	Very high	39 Å²	39	10.6 Å²	10.6	18%	0.182	5%	0.054	C	C	.	.			trans	-70.2	110	177.3	-63.4	-170.2	111.5	0	0	110.7	M387 G401 H405 R406 C407 R470	M387-E403 HydrophobicContact CE-CB 4.24Å; M387-E403 HydrophobicContact CE-CG 4.33Å; G401-E403 PolarHBondContact O-N 2.96Å; E403-H405 VanDerWaalsContact C-N 3.28Å; E403-H405 PolarHBondContact O-N 3.46Å; E403-H405 IonicContact OE1-CE1 3.69Å; E403-R406 HydrophobicContact CB-CB 4.38Å; E403-R406 HydrophobicContact CB-CG 4.25Å; E403-R406 PolarHBondContact O-N 3.26Å; E403-R406 WeakPolarHBondContact OE2-CD 3.32Å; E403-R406 IonicContact OE2-CZ 3.16Å; E403-R406 IonicContact OE2-NE 2.62Å; E403-R406 IonicContact OE2-NH1 3.98Å; E403-R406 PolarHBondContact OE2-NH1 3.38Å; E403-C407 PolarHBondContact O-N 3.05Å; E403-R470 IonicContact OE1-NH1 2.88Å; E403-R470 PolarHBondContact OE1-NH1 2.65Å
404	S	96.2	Very high	96.8	Very high	4 Å²	4	10.3 Å²	10.3	3%	0.028	5%	0.051	C	C	.	.	G	3₁₀ helix	trans	-65.7	-28.5	-172	-58	0	0	0	0	113.2	T384 M387 C394 I402 R406 C407	T384-S404 WeakPolarHBondContact CB-O 3.41Å; T384-S404 PolarHBondContact OG1-O 3.37Å; M387-S404 PolarHBondContact SD-N 3.27Å; C394-S404 PolarHBondContact N-OG 3.42Å; C394-S404 PolarHBondContact SG-OG 3.29Å; I402-S404 PolarHBondContact O-N 3.14Å; S404-R406 PolarHBondContact O-N 3.29Å; S404-C407 PolarHBondContact O-N 2.82Å
405	H	96.7	Very high	96.7	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.048	C	C	.	.	G	3₁₀ helix	trans	-73.8	-11.5	175.7	65.3	-65.1	0	0	0	113.9	M387 L388 E403 R470 E473 G474	M387-H405 HydrophobicContact CB-CB 4.25Å; M387-H405 HydrophobicContact CG-CB 4.4Å; M387-H405 PolarHBondContact SD-ND1 2.79Å; M387-H405 VanDerWaalsContact SD-ND1 3.41Å; L388-H405 HydrophobicContact CD2-CB 3.97Å; L388-H405 HydrophobicContact CG-CB 4.02Å; E403-H405 VanDerWaalsContact C-N 3.28Å; E403-H405 PolarHBondContact O-N 3.46Å; E403-H405 IonicContact OE1-CE1 3.69Å; H405-R470 PolarHBondContact CD2-O 3.35Å; H405-R470 PolarHBondContact CE1-NH1 2.93Å; H405-R470 PolarHBondContact NE2-NH1 3.27Å; H405-E473 IonicContact CD2-OE2 2.61Å; H405-E473 IonicContact CE1-OE2 3.4Å; H405-E473 IonicContact NE2-OE2 3.79Å; H405-E473 PolarHBondContact NE2-OE2 3.42Å; H405-G474 VanDerWaalsContact O-CA 3.24Å; H405-G474 WeakPolarHBondContact O-CA 3.26Å
406	R	97.6	Very high	96.4	Very high	46 Å²	46	10.2 Å²	10.2	17%	0.174	5%	0.052	C	C	.	.	G	3₁₀ helix	trans	-113.8	11.1	177.4	-50.3	176.8	77	177.9	11	112.4	E403 S404 E473 K478 H479	E403-R406 HydrophobicContact CB-CB 4.38Å; E403-R406 HydrophobicContact CB-CG 4.25Å; E403-R406 PolarHBondContact O-N 3.26Å; E403-R406 WeakPolarHBondContact OE2-CD 3.32Å; E403-R406 IonicContact OE2-CZ 3.16Å; E403-R406 IonicContact OE2-NE 2.62Å; E403-R406 IonicContact OE2-NH1 3.98Å; E403-R406 PolarHBondContact OE2-NH1 3.38Å; S404-R406 PolarHBondContact O-N 3.29Å; R406-E473 HydrophobicContact CG-CB 4.42Å; R406-K478 HydrophobicContact CB-CB 4.15Å; R406-K478 HydrophobicContact CB-CG 4.46Å; R406-K478 PolarHBondContact O-N 2.94Å; R406-H479 PolarHBondContact O-N 3.1Å; R406-H479 VanDerWaalsContact O-N 3.14Å
407	C	98.2	Very high	96.1	Very high	14 Å²	14	9.2 Å²	9.2	10%	0.095	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	116.1	-178.4	-168.9	0	0	0	0	110.5	I402 E403 S404 H453 H479	I402-C407 HydrophobicContact CG2-CB 4.44Å; E403-C407 PolarHBondContact O-N 3.05Å; S404-C407 PolarHBondContact O-N 2.82Å; C407-H453 PolarHBondContact O-CE1 3.38Å; C407-H453 VanDerWaalsContact O-CE1 3.29Å; C407-H479 CarbonylContact C-O 3.5Å; C407-H479 WeakPolarHBondContact CA-O 3.47Å; C407-H479 HydrophobicContact CB-CB 4.12Å
408	M	97.8	Very high	95.8	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	117.5	172	-179.4	178.8	70.4	0	0	109.6	V378 T410 L446 A449 V450 H453 V477 H479 C480 A481	V378-M408 HydrophobicContact CG2-CG 3.67Å; V378-M408 HydrophobicContact CG2-SD 4.29Å; M408-T410 HydrophobicContact CE-CG2 4.17Å; M408-L446 HydrophobicContact CE-CD1 4.34Å; M408-A449 HydrophobicContact CE-CB 4.07Å; M408-A449 VanDerWaalsContact SD-C 3.51Å; M408-A449 HydrophobicContact SD-CB 3.74Å; M408-V450 HydrophobicContact CE-CG2 4.34Å; M408-V450 HydrophobicContact SD-CG2 4.15Å; M408-H453 HydrophobicContact CG-CB 3.99Å; M408-H453 HydrophobicContact SD-CB 4.09Å; M408-V477 HydrophobicContact CB-CG1 3.62Å; M408-V477 HydrophobicContact CB-CG2 4.23Å; M408-H479 PolarHBondContact N-O 3.15Å; M408-C480 HydrophobicContact CE-CB 4.37Å; M408-C480 CarbonylContact O-C 3.56Å; M408-C480 WeakPolarHBondContact O-CA 3.34Å; M408-A481 PolarHBondContact O-N 3.32Å
409	E	97.1	Very high	95.3	Very high	43 Å²	43	13.1 Å²	13.1	20%	0.201	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	112.3	175.3	-170.3	177.3	-169.2	0	0	109.8	V378 K379 A481 L484	V378-E409 WeakPolarHBondContact CA-O 3.46Å; V378-E409 VanDerWaalsContact CG2-O 3.28Å; V378-E409 WeakPolarHBondContact CG2-O 3.28Å; K379-E409 PolarHBondContact N-O 2.89Å; E409-A481 HydrophobicContact CG-CB 4.48Å; E409-L484 HydrophobicContact CG-CB 4.01Å; E409-L484 HydrophobicContact CG-CD1 3.91Å
410	T	97.1	Very high	94.7	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	167.2	-173.4	-166.8	0	0	0	0	111.4	G377 M408 C480 A481 L482 S483	G377-T410 CarbonylContact O-C 3.55Å; G377-T410 WeakPolarHBondContact O-CA 3.37Å; G377-T410 PolarHBondContact O-OG1 3.06Å; M408-T410 HydrophobicContact CE-CG2 4.17Å; T410-C480 WeakPolarHBondContact CG2-SG 3.35Å; T410-A481 PolarHBondContact N-O 2.81Å; T410-A481 VanDerWaalsContact O-O 3.1Å; T410-L482 HydrophobicContact CG2-CD2 3.69Å; T410-L482 WeakPolarHBondContact O-CA 3.48Å; T410-S483 PolarHBondContact O-N 3.4Å
411	T	96.2	Very high	93.7	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	134.9	166.5	-174.5	0	0	0	0	110.5	S376 G377 S413 L414 L484 V485	S376-T411 VanDerWaalsContact CA-O 3.32Å; S376-T411 WeakPolarHBondContact CA-O 3.49Å; S376-T411 WeakPolarHBondContact CB-O 3.38Å; G377-T411 PolarHBondContact N-O 2.89Å; G377-T411 PolarHBondContact O-N 3.3Å; T411-S413 PolarHBondContact OG1-N 3.49Å; T411-S413 VanDerWaalsContact OG1-N 3.13Å; T411-S413 PolarHBondContact OG1-O 3.46Å; T411-L414 HydrophobicContact CG2-CD2 3.88Å; T411-L414 HydrophobicContact CG2-CG 4.42Å; T411-L484 HydrophobicContact CG2-CB 4.23Å; T411-L484 HydrophobicContact CG2-CD2 4.42Å; T411-V485 VanDerWaalsContact CB-O 3.23Å; T411-V485 WeakPolarHBondContact CB-O 3.36Å; T411-V485 HydrophobicContact CG2-CG1 3.74Å; T411-V485 WeakPolarHBondContact CG2-O 3.23Å; T411-V485 PolarHBondContact OG1-O 3.01Å
412	P	96.7	Very high	92.6	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.079	C	C	.	.	S	Bend	trans	-83	-1.9	168.9	35.6	-34.7	0	0	0	112.1	H375 S376 L482 P488 Y491 I494	H375-P412 PolarHBondContact CE1-O 2.93Å; H375-P412 VanDerWaalsContact CE1-O 3.28Å; H375-P412 PolarHBondContact ND1-O 3.29Å; S376-P412 WeakPolarHBondContact OG-CA 3.31Å; S376-P412 PolarHBondContact OG-O 3.26Å; P412-L482 HydrophobicContact CG-CD2 4.48Å; P412-P488 HydrophobicContact CG-CB 4.16Å; P412-Y491 HydrophobicContact CB-CD1 3.77Å; P412-Y491 HydrophobicContact CB-CD2 4.44Å; P412-Y491 HydrophobicContact CB-CE1 4.36Å; P412-Y491 HydrophobicContact CB-CG 3.81Å; P412-Y491 HydrophobicContact CG-CD1 4.2Å; P412-Y491 HydrophobicContact CG-CG 4.27Å; P412-I494 HydrophobicContact CG-CD1 4.13Å
413	S	95	Very high	91.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.093	C	C	.	.			trans	-147.3	110.6	-179.6	180	0	0	0	0	110.6	T411 A415 V485 G486 E487	T411-S413 PolarHBondContact OG1-N 3.49Å; T411-S413 VanDerWaalsContact OG1-N 3.13Å; T411-S413 PolarHBondContact OG1-O 3.46Å; S413-A415 PolarHBondContact O-N 3.01Å; S413-A415 PolarHBondContact OG-N 2.79Å; S413-A415 PolarHBondContact OG-O 3.35Å; S413-V485 VanDerWaalsContact O-O 3.06Å; S413-G486 WeakPolarHBondContact O-CA 3.33Å; S413-E487 VanDerWaalsContact CB-O 3.27Å; S413-E487 WeakPolarHBondContact CB-O 3.44Å; S413-E487 PolarHBondContact OG-O 2.61Å
414	L	92	Very high	89.9	Confident	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.099	C	C	.	.			trans	-74.2	-13.6	170.9	-64.4	166.3	0	0	0	112.7	M355 I356 L364 L371 H375 T411 V485	M355-L414 HydrophobicContact SD-CB 3.77Å; I356-L414 HydrophobicContact CD1-CD1 3.54Å; I356-L414 HydrophobicContact CG1-CD1 3.38Å; L364-L414 HydrophobicContact CD1-CD1 4.11Å; L364-L414 HydrophobicContact CD1-CD2 4.48Å; L371-L414 HydrophobicContact CD2-CD1 4.29Å; H375-L414 WeakPolarHBondContact O-CG 3.39Å; H375-L414 PolarHBondContact O-N 3.22Å; T411-L414 HydrophobicContact CG2-CD2 3.88Å; T411-L414 HydrophobicContact CG2-CG 4.42Å; L414-V485 HydrophobicContact CD2-CG1 3.22Å; L414-V485 HydrophobicContact CG-CG1 4.46Å
415	A	92.1	Very high	88.2	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.			trans	-80.6	143.8	-178.7	0	0	0	0	0	112	M355 S413 P430 W437 G486 E487 M490	M355-A415 HydrophobicContact CE-CB 3.65Å; M355-A415 HydrophobicContact SD-CB 3.86Å; M355-A415 PolarHBondContact SD-N 3Å; M355-A415 VanDerWaalsContact SD-N 3.43Å; S413-A415 PolarHBondContact O-N 3.01Å; S413-A415 PolarHBondContact OG-N 2.79Å; S413-A415 PolarHBondContact OG-O 3.35Å; A415-P430 VanDerWaalsContact CA-O 3.27Å; A415-P430 WeakPolarHBondContact CA-O 3.4Å; A415-P430 HydrophobicContact CB-CB 4.13Å; A415-W437 HydrophobicContact CB-CH2 3.47Å; A415-W437 VanDerWaalsContact CB-CH2 3.47Å; A415-W437 HydrophobicContact CB-CZ2 4.19Å; A415-W437 HydrophobicContact CB-CZ3 3.68Å; A415-G486 CarbonylContact O-C 3.57Å; A415-G486 WeakPolarHBondContact O-CA 3.43Å; A415-E487 PolarHBondContact O-N 3Å; A415-M490 HydrophobicContact CB-SD 4.15Å
416	C	91.1	Very high	86.2	Confident	23 Å²	23	22.9 Å²	22.9	16%	0.155	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-132.3	152.9	176.9	-161.1	0	0	0	0	112.5	N418 P430 V431 G432 N513	C416-N418 PolarHBondContact SG-N 3.18Å; C416-P430 PolarHBondContact N-O 3.3Å; C416-V431 VanDerWaalsContact O-CA 3.31Å; C416-V431 WeakPolarHBondContact O-CA 3.32Å; C416-G432 CarbonylContact C-O 3.58Å; C416-G432 PolarHBondContact O-N 3.35Å; C416-N513 PolarHBondContact SG-ND2 3.11Å
417	A	91.4	Very high	84.2	Confident	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-88.2	-4.3	171.8	0	0	0	0	0	114	G432 Q515 F516 L548 F549	A417-G432 WeakPolarHBondContact CA-O 3.3Å; A417-Q515 HydrophobicContact CB-CB 4.28Å; A417-Q515 HydrophobicContact CB-CG 4.48Å; A417-F516 HydrophobicContact CB-CE2 3.65Å; A417-F516 HydrophobicContact CB-CZ 3.85Å; A417-L548 WeakPolarHBondContact O-CB 3.34Å; A417-L548 WeakPolarHBondContact O-CG 3.49Å; A417-L548 PolarHBondContact O-N 3.44Å; A417-F549 HydrophobicContact CB-CD2 4.2Å; A417-F549 HydrophobicContact CB-CE2 3.71Å
418	N	89.9	Confident	82.6	Confident	8 Å²	8	29.6 Å²	29.6	4%	0.043	15%	0.146	C	C	.	.	B	Isolated β-bridge	trans	-120.9	156.1	-179.4	-70.3	7	0	0	0	111.3	C416 Q515 D545 P547	C416-N418 PolarHBondContact SG-N 3.18Å; N418-Q515 VanDerWaalsContact OD1-CG 3.31Å; N418-Q515 WeakPolarHBondContact OD1-CG 3.39Å; N418-D545 WeakPolarHBondContact CB-O 3.39Å; N418-D545 PolarHBondContact ND2-OD2 3.1Å; N418-P547 WeakPolarHBondContact OD1-CA 3.43Å; N418-P547 WeakPolarHBondContact OD1-CB 3.37Å
419	K	88.1	Confident	81.5	Confident	87 Å²	87	30.7 Å²	30.7	38%	0.378	15%	0.152	S	C	.	.			trans	-125.2	55	175.3	-71.3	-176.7	176.5	176.6	0	110.4	V431 D545 R546 L548	K419-V431 HydrophobicContact CG-CG1 4.08Å; K419-D545 CarbonylContact C-O 3.58Å; K419-D545 VanDerWaalsContact C-O 3.25Å; K419-D545 PolarHBondContact N-O 3.19Å; K419-R546 HydrophobicContact CB-CB 4.07Å; K419-R546 PolarHBondContact N-O 3.32Å; K419-R546 WeakPolarHBondContact O-CD 3.25Å; K419-L548 HydrophobicContact CD-CD2 4.45Å
420	C	84.5	Confident	80.8	Confident	15 Å²	15	29.7 Å²	29.7	10%	0.101	15%	0.149	C	C	.	.			trans	-58.2	144.4	-169.7	-44.5	0	0	0	0	113.2	F422 C423 H426 I544 D545	C420-F422 VanDerWaalsContact C-N 3.25Å; C420-F422 HydrophobicContact CB-CD1 4.27Å; C420-F422 HydrophobicContact CB-CD2 4.43Å; C420-F422 HydrophobicContact CB-CE1 3.86Å; C420-F422 HydrophobicContact CB-CE2 4.02Å; C420-F422 HydrophobicContact CB-CZ 3.7Å; C420-F422 PolarHBondContact O-N 3.45Å; C420-C423 HydrophobicContact CB-CB 3.97Å; C420-C423 PolarHBondContact O-N 3.14Å; C420-H426 PolarHBondContact O-CE1 3.23Å; C420-H426 PolarHBondContact O-ND1 2.98Å; C420-I544 CarbonylContact C-O 3.55Å; C420-I544 VanDerWaalsContact CA-O 3.23Å; C420-I544 WeakPolarHBondContact CA-O 3.37Å; C420-D545 WeakPolarHBondContact CA-O 3.23Å; C420-D545 PolarHBondContact N-O 3.01Å; C420-D545 VanDerWaalsContact N-O 3.15Å
421	V	78.9	Confident	80.3	Confident	9 Å²	9	31.8 Å²	31.8	6%	0.055	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-14.9	-179	-63.5	0	0	0	0	114.9	H426 K543 I544 R546 W580 S614	V421-H426 PolarHBondContact O-CE1 3.31Å; V421-H426 PolarHBondContact O-NE2 3.15Å; V421-K543 WeakPolarHBondContact CG1-O 3.47Å; V421-I544 HydrophobicContact CG2-CB 4.4Å; V421-I544 HydrophobicContact CG2-CG2 4.06Å; V421-I544 WeakPolarHBondContact CG2-O 3.48Å; V421-I544 PolarHBondContact N-O 3.47Å; V421-R546 VanDerWaalsContact CG1-CZ 3.48Å; V421-W580 HydrophobicContact CG2-CH2 4.27Å; V421-W580 HydrophobicContact CG2-CZ3 3.61Å; V421-S614 WeakPolarHBondContact O-CB 3.5Å; V421-S614 PolarHBondContact O-OG 3.41Å
422	F	74.4	Confident	79.9	Confident	54 Å²	54	32.2 Å²	32.2	24%	0.237	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-6.2	175.1	58.4	-101.7	0	0	0	112.7	C420 W424 D534 I544	C420-F422 VanDerWaalsContact C-N 3.25Å; C420-F422 HydrophobicContact CB-CD1 4.27Å; C420-F422 HydrophobicContact CB-CD2 4.43Å; C420-F422 HydrophobicContact CB-CE1 3.86Å; C420-F422 HydrophobicContact CB-CE2 4.02Å; C420-F422 HydrophobicContact CB-CZ 3.7Å; C420-F422 PolarHBondContact O-N 3.45Å; F422-W424 PolarHBondContact O-N 2.91Å; F422-D534 HydrophobicContact CE1-CB 3.84Å; F422-D534 HydrophobicContact CZ-CB 3.98Å; F422-D534 WeakPolarHBondContact CZ-OD2 3.47Å; F422-I544 HydrophobicContact CD1-CG2 3.83Å; F422-I544 HydrophobicContact CE1-CG2 3.48Å; F422-I544 VanDerWaalsContact CE1-CG2 3.48Å
423	C	73.9	Confident	79.6	Confident	44 Å²	44	34.9 Å²	34.9	30%	0.297	18%	0.183	S	C	.	.			trans	-72.5	100.5	179.6	-176.6	0	0	0	0	109.2	C420 R425 H426	C420-C423 HydrophobicContact CB-CB 3.97Å; C420-C423 PolarHBondContact O-N 3.14Å; C423-R425 PolarHBondContact O-N 3.44Å; C423-H426 PolarHBondContact N-CE1 3.22Å; C423-H426 PolarHBondContact O-CD2 3.39Å; C423-H426 PolarHBondContact O-CE1 2.85Å; C423-H426 PolarHBondContact O-N 3.3Å; C423-H426 VanDerWaalsContact O-N 3.09Å; C423-H426 PolarHBondContact O-ND1 3.49Å; C423-H426 VanDerWaalsContact O-ND1 3.09Å; C423-H426 PolarHBondContact O-NE2 2.93Å
424	W	63.4	Low	79.4	Confident	86 Å²	86	41.2 Å²	41.2	33%	0.326	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.6	-4.3	-174.4	72	-63.3	0	0	0	118.4	F162 Y369 F422	F162-W424 HydrophobicContact CE1-CE3 4.08Å; F162-W424 HydrophobicContact CE1-CZ3 4.14Å; F162-W424 HydrophobicContact CZ-CE3 4.07Å; F162-W424 HydrophobicContact CZ-CZ3 4.48Å; Y369-W424 AromaticContact CE2-CH2 3.91Å; Y369-W424 HydrophobicContact CE2-CH2 3.91Å; Y369-W424 HydrophobicContact CE2-CZ2 4.34Å; Y369-W424 WeakPolarHBondContact OH-CH2 3.38Å; Y369-W424 WeakPolarHBondContact OH-CZ2 3.4Å; F422-W424 PolarHBondContact O-N 2.91Å
425	R	59.7	Low	79.5	Confident	9 Å²	9	43 Å²	43	3%	0.034	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.4	20.7	-178.6	-66.5	173.3	170.3	-118.9	-51.9	113.6	L364 Y369 C423 H427 T428 N429 V485	L364-R425 VanDerWaalsContact CD2-NH1 3.33Å; L364-R425 VanDerWaalsContact CD2-NH2 3.28Å; Y369-R425 VanDerWaalsContact CE2-CZ 3.41Å; Y369-R425 PolarHBondContact OH-NE 3.46Å; Y369-R425 PolarHBondContact OH-NH1 3.39Å; Y369-R425 PolarHBondContact OH-NH2 3.31Å; Y369-R425 VanDerWaalsContact OH-NH2 3.15Å; C423-R425 PolarHBondContact O-N 3.44Å; R425-H427 PolarHBondContact O-N 2.84Å; R425-T428 PolarHBondContact O-N 3.48Å; R425-T428 PolarHBondContact O-OG1 3.41Å; R425-N429 WeakPolarHBondContact CB-ND2 3.42Å; R425-N429 VanDerWaalsContact CD-ND2 3.34Å; R425-N429 WeakPolarHBondContact CD-ND2 3.35Å; R425-V485 VanDerWaalsContact CD-CG2 3.46Å
426	H	55.7	Low	79.5	Confident	42 Å²	42	48.6 Å²	48.6	19%	0.194	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-22.3	114.8	177.8	-59.7	-59.1	0	0	0	112.9	C420 V421 C423 T428	C420-H426 PolarHBondContact O-CE1 3.23Å; C420-H426 PolarHBondContact O-ND1 2.98Å; V421-H426 PolarHBondContact O-CE1 3.31Å; V421-H426 PolarHBondContact O-NE2 3.15Å; C423-H426 PolarHBondContact N-CE1 3.22Å; C423-H426 PolarHBondContact O-CD2 3.39Å; C423-H426 PolarHBondContact O-CE1 2.85Å; C423-H426 PolarHBondContact O-N 3.3Å; C423-H426 VanDerWaalsContact O-N 3.09Å; C423-H426 PolarHBondContact O-ND1 3.49Å; C423-H426 VanDerWaalsContact O-ND1 3.09Å; C423-H426 PolarHBondContact O-NE2 2.93Å; H426-T428 PolarHBondContact O-N 3.27Å
427	H	55.1	Low	79.7	Confident	129 Å²	129	47.9 Å²	47.9	60%	0.597	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.3	-7.8	174.2	-48.9	-70.6	0	0	0	118.8	R425	R425-H427 PolarHBondContact O-N 2.84Å
428	T	64.4	Low	79.8	Confident	73 Å²	73	53 Å²	53	45%	0.448	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-28.8	-178.7	60.5	0	0	0	0	113.9	L360 R425 H426	L360-T428 WeakPolarHBondContact CD1-O 3.35Å; R425-T428 PolarHBondContact O-N 3.48Å; R425-T428 PolarHBondContact O-OG1 3.41Å; H426-T428 PolarHBondContact O-N 3.27Å
429	N	73.8	Confident	80.1	Confident	23 Å²	23	54.7 Å²	54.7	12%	0.123	27%	0.267	C	S	.	.	S	Bend	trans	-79.1	149.8	-179.5	-66	-39.1	0	0	0	112	R425 V485	R425-N429 WeakPolarHBondContact CB-ND2 3.42Å; R425-N429 VanDerWaalsContact CD-ND2 3.34Å; R425-N429 WeakPolarHBondContact CD-ND2 3.35Å; N429-V485 WeakPolarHBondContact ND2-CG2 3.38Å
430	P	83.4	Confident	80.6	Confident	22 Å²	22	51.2 Å²	51.2	14%	0.143	25%	0.252	C	S	.	.			trans	-55.1	142.4	168.3	-21.5	32.8	0	0	0	110.9	M355 L360 A415 C416 W437	M355-P430 HydrophobicContact CG-CB 3.96Å; M355-P430 HydrophobicContact CG-CG 3.64Å; M355-P430 HydrophobicContact SD-CG 4.36Å; L360-P430 HydrophobicContact CD2-CG 3.96Å; A415-P430 VanDerWaalsContact CA-O 3.27Å; A415-P430 WeakPolarHBondContact CA-O 3.4Å; A415-P430 HydrophobicContact CB-CB 4.13Å; C416-P430 PolarHBondContact N-O 3.3Å; P430-W437 HydrophobicContact CB-CZ2 4.16Å
431	V	86.4	Confident	81.2	Confident	44 Å²	44	55.7 Å²	55.7	27%	0.267	27%	0.272	S	S	.	.	B	Isolated β-bridge	trans	-121.1	145.6	172.8	-68.1	0	0	0	0	110.5	C416 K419 R436 L548	C416-V431 VanDerWaalsContact O-CA 3.31Å; C416-V431 WeakPolarHBondContact O-CA 3.32Å; K419-V431 HydrophobicContact CG-CG1 4.08Å; V431-R436 PolarHBondContact O-NH2 3.45Å; V431-R436 VanDerWaalsContact O-NH2 3.15Å; V431-L548 HydrophobicContact CB-CD1 3.84Å; V431-L548 HydrophobicContact CG2-CD1 4.42Å
432	G	86.9	Confident	82.2	Confident	9 Å²	9	55.3 Å²	55.3	9%	0.093	27%	0.269	C	S	.	.			trans	-171.5	148.7	179.9	0	0	0	0	0	112.2	C416 A417	C416-G432 CarbonylContact C-O 3.58Å; C416-G432 PolarHBondContact O-N 3.35Å; A417-G432 WeakPolarHBondContact CA-O 3.3Å
433	T	90.7	Very high	83.3	Confident	56 Å²	56	56.3 Å²	56.3	34%	0.344	28%	0.275	S	S	.	.	S	Bend	trans	-95.2	-12.7	172.5	49.6	0	0	0	0	112.2	F516 L548 F549	T433-F516 WeakPolarHBondContact O-CE1 3.19Å; T433-L548 HydrophobicContact CG2-CB 3.82Å; T433-F549 VanDerWaalsContact CB-CZ 3.45Å; T433-F549 HydrophobicContact CG2-CD1 3.99Å; T433-F549 HydrophobicContact CG2-CD2 4.21Å; T433-F549 HydrophobicContact CG2-CE1 3.72Å; T433-F549 HydrophobicContact CG2-CE2 3.96Å; T433-F549 HydrophobicContact CG2-CG 4.24Å; T433-F549 HydrophobicContact CG2-CZ 3.71Å; T433-F549 WeakPolarHBondContact O-CZ 3.16Å
434	E	91.7	Very high	84.4	Confident	133 Å²	133	57 Å²	57	62%	0.621	27%	0.274	S	S	*	.	S	Bend	trans	-148.7	159.5	-179.6	66.2	-177.5	-178.6	0	0	111.2	R436 M490	E434-R436 PolarHBondContact O-N 2.8Å; E434-M490 WeakPolarHBondContact O-CE 3.47Å
435	W	93.8	Very high	86.1	Confident	37 Å²	37	52.9 Å²	52.9	14%	0.14	26%	0.259	C	S	.	.			trans	-78.6	118.2	179.9	-169.9	-83.3	0	0	0	111.9	M355 H375 W437 K438 V439 M490 Y491 P492	M355-W435 HydrophobicContact CE-CE3 4.42Å; M355-W435 HydrophobicContact CE-CH2 3.81Å; M355-W435 HydrophobicContact CE-CZ2 4.42Å; M355-W435 HydrophobicContact CE-CZ3 3.79Å; H375-W435 HydrophobicContact CB-CH2 4.12Å; H375-W435 HydrophobicContact CB-CZ2 4.48Å; H375-W435 AromaticContact CD2-CH2 3.87Å; H375-W435 AromaticContact CD2-CZ2 3.69Å; H375-W435 AromaticContact CE1-CH2 3.78Å; H375-W435 AromaticContact CG-CH2 3.65Å; H375-W435 AromaticContact CG-CZ2 3.94Å; H375-W435 AromaticContact ND1-CH2 3.62Å; H375-W435 AromaticContact NE2-CH2 3.93Å; H375-W435 AromaticContact NE2-CZ2 3.8Å; W435-W437 HydrophobicContact CD2-CE3 4.25Å; W435-W437 HydrophobicContact CE3-CE3 4.38Å; W435-W437 HydrophobicContact CZ2-CB 4.46Å; W435-W437 PolarHBondContact NE1-O 3.26Å; W435-K438 WeakPolarHBondContact CZ2-O 3.27Å; W435-V439 HydrophobicContact CZ2-CG2 4.33Å; W435-M490 HydrophobicContact CE3-CG 4.39Å; W435-Y491 AromaticContact CH2-CD2 3.77Å; W435-Y491 HydrophobicContact CH2-CD2 3.77Å; W435-Y491 HydrophobicContact CZ2-CD2 4.25Å; W435-Y491 HydrophobicContact CZ3-CD2 4.14Å; W435-P492 HydrophobicContact CB-CG 3.97Å; W435-P492 VanDerWaalsContact CD2-CD 3.41Å; W435-P492 HydrophobicContact CD2-CG 3.75Å; W435-P492 HydrophobicContact CE3-CG 4.35Å; W435-P492 HydrophobicContact CG-CG 3.54Å
436	R	92.7	Very high	88	Confident	118 Å²	118	53 Å²	53	45%	0.445	26%	0.26	S	S	.	.			trans	-129.7	12.8	-177.7	64.1	178.2	175	-176.2	-8	114.6	R353 V431 E434	R353-R436 VanDerWaalsContact NH2-CZ 3.26Å; V431-R436 PolarHBondContact O-NH2 3.45Å; V431-R436 VanDerWaalsContact O-NH2 3.15Å; E434-R436 PolarHBondContact O-N 2.8Å
437	W	94.2	Very high	90	Very high	7 Å²	7	57.2 Å²	57.2	3%	0.027	28%	0.278	C	S	.	.	S	Bend	trans	-108.3	169.8	-174.5	-60.2	-84.3	0	0	0	111.4	R352 R353 M355 A415 P430 W435 V439 M490	R352-W437 WeakPolarHBondContact CD-O 3.33Å; R353-W437 WeakPolarHBondContact O-CA 3.4Å; M355-W437 HydrophobicContact CB-CB 4.11Å; M355-W437 HydrophobicContact CB-CD2 4.14Å; M355-W437 HydrophobicContact CB-CG 3.69Å; M355-W437 HydrophobicContact CE-CD2 3.7Å; M355-W437 HydrophobicContact CE-CE3 3.46Å; M355-W437 VanDerWaalsContact CE-CE3 3.46Å; M355-W437 HydrophobicContact CE-CG 4.18Å; M355-W437 HydrophobicContact CE-CH2 4.47Å; M355-W437 HydrophobicContact CE-CZ3 3.88Å; M355-W437 HydrophobicContact CG-CD2 4.17Å; M355-W437 HydrophobicContact CG-CG 4.24Å; A415-W437 HydrophobicContact CB-CH2 3.47Å; A415-W437 VanDerWaalsContact CB-CH2 3.47Å; A415-W437 HydrophobicContact CB-CZ2 4.19Å; A415-W437 HydrophobicContact CB-CZ3 3.68Å; P430-W437 HydrophobicContact CB-CZ2 4.16Å; W435-W437 HydrophobicContact CD2-CE3 4.25Å; W435-W437 HydrophobicContact CE3-CE3 4.38Å; W435-W437 HydrophobicContact CZ2-CB 4.46Å; W435-W437 PolarHBondContact NE1-O 3.26Å; W437-V439 PolarHBondContact O-N 2.93Å; W437-M490 HydrophobicContact CH2-CE 4.3Å; W437-M490 HydrophobicContact CZ3-CE 3.71Å
438	K	94.6	Very high	92	Very high	109 Å²	109	54.2 Å²	54.2	47%	0.474	26%	0.264	S	S	.	.			trans	-52.3	137.3	164.4	-176.8	170.9	177.5	169.7	0	109.6	R353 H375 W435	R353-K438 PolarHBondContact O-N 3.25Å; R353-K438 VanDerWaalsContact O-N 3.14Å; H375-K438 PolarHBondContact CD2-O 3.07Å; H375-K438 VanDerWaalsContact CD2-O 3.22Å; W435-K438 WeakPolarHBondContact CZ2-O 3.27Å
439	V	96.6	Very high	93.6	Very high	43 Å²	43	50.8 Å²	50.8	26%	0.261	24%	0.243	S	C	.	.			trans	-102.4	113.7	176.6	-177.6	0	0	0	0	107.1	W435 W437 Y491 P492 E493	W435-V439 HydrophobicContact CZ2-CG2 4.33Å; W437-V439 PolarHBondContact O-N 2.93Å; V439-Y491 HydrophobicContact CG1-CE2 3.95Å; V439-P492 HydrophobicContact CG2-CG 4.14Å; V439-E493 HydrophobicContact CG1-CG 4.36Å
440	D	97.4	Very high	94.8	Very high	13 Å²	13	51.1 Å²	51.1	7%	0.07	25%	0.246	C	C	.	.			trans	-83.4	150.4	172.1	-60.7	-44.4	0	0	0	110.2	S374 H375 M444 I445 Y491	S374-D440 WeakPolarHBondContact CA-OD2 3.33Å; S374-D440 WeakPolarHBondContact CB-OD2 3.43Å; S374-D440 PolarHBondContact N-OD2 3.31Å; S374-D440 VanDerWaalsContact OG-CG 3.3Å; S374-D440 PolarHBondContact OG-OD1 3.5Å; S374-D440 PolarHBondContact OG-OD2 2.67Å; H375-D440 IonicContact CD2-OD2 3.82Å; H375-D440 PolarHBondContact CD2-OD2 3.09Å; H375-D440 IonicContact CG-OD2 3.24Å; H375-D440 WeakPolarHBondContact NE2-CB 3.42Å; H375-D440 PolarHBondContact NE2-N 3.5Å; H375-D440 IonicContact NE2-OD2 3.63Å; H375-D440 PolarHBondContact NE2-OD2 2.6Å; D440-M444 HydrophobicContact CB-CE 3.68Å; D440-I445 HydrophobicContact CB-CD1 4.11Å; D440-I445 HydrophobicContact CB-CG1 4.18Å; D440-Y491 PolarHBondContact O-OH 2.98Å
441	Q	98.1	Very high	95.5	Very high	109 Å²	109	54.1 Å²	54.1	51%	0.509	26%	0.258	S	S	.	.			trans	-71	136.7	-176.6	-66.3	-63.9	-55.8	0	0	111.8	E443 M444 I445	Q441-E443 VanDerWaalsContact C-N 3.31Å; Q441-E443 PolarHBondContact O-N 3.4Å; Q441-M444 PolarHBondContact O-N 3.5Å; Q441-M444 VanDerWaalsContact O-N 3.16Å; Q441-I445 WeakPolarHBondContact O-CG1 3.31Å; Q441-I445 PolarHBondContact O-N 3.41Å; Q441-I445 VanDerWaalsContact O-N 3.08Å
442	P	98.2	Very high	96	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.006	25%	0.254	C	S	.	.	H	α-helix	trans	-66.7	-30.1	-173.7	25.7	-33.1	0	0	0	113	I445 L446 Y491 E493 R496 F497 L500	P442-I445 PolarHBondContact O-N 3.49Å; P442-L446 WeakPolarHBondContact O-CB 3.46Å; P442-L446 PolarHBondContact O-N 3.11Å; P442-Y491 HydrophobicContact CB-CE1 4.31Å; P442-Y491 WeakPolarHBondContact CD-OH 3.43Å; P442-E493 VanDerWaalsContact CD-OE2 3.3Å; P442-E493 WeakPolarHBondContact CD-OE2 3.41Å; P442-E493 HydrophobicContact CG-CB 4.26Å; P442-R496 HydrophobicContact CB-CG 4.32Å; P442-R496 HydrophobicContact CG-CB 4.08Å; P442-R496 HydrophobicContact CG-CG 3.46Å; P442-R496 VanDerWaalsContact CG-CG 3.46Å; P442-F497 HydrophobicContact CB-CB 3.99Å; P442-F497 HydrophobicContact CB-CD2 3.99Å; P442-L500 HydrophobicContact CB-CD1 3.87Å; P442-L500 HydrophobicContact CG-CD1 4.14Å
443	E	98.4	Very high	96.5	Very high	76 Å²	76	53.2 Å²	53.2	36%	0.355	25%	0.249	S	C	.	.	H	α-helix	trans	-61.9	-43.8	173.9	-68.6	76.8	-171.6	0	0	111.7	Q441 K447 R496 L500	Q441-E443 VanDerWaalsContact C-N 3.31Å; Q441-E443 PolarHBondContact O-N 3.4Å; E443-K447 VanDerWaalsContact O-CB 3.32Å; E443-K447 WeakPolarHBondContact O-CB 3.42Å; E443-K447 PolarHBondContact O-N 2.87Å; E443-R496 IonicContact OE1-CZ 2.86Å; E443-R496 IonicContact OE1-NE 3.24Å; E443-R496 PolarHBondContact OE1-NE 3.04Å; E443-R496 IonicContact OE1-NH2 3.45Å; E443-R496 PolarHBondContact OE1-NH2 3.22Å; E443-L500 HydrophobicContact CB-CD1 4.41Å; E443-L500 HydrophobicContact CG-CD1 3.82Å; E443-L500 HydrophobicContact CG-CD2 4.08Å
444	M	98.1	Very high	96.8	Very high	57 Å²	57	53.1 Å²	53.1	28%	0.281	25%	0.245	S	C	.	.	H	α-helix	trans	-65.8	-46.5	175.8	176.6	-83.7	-84.6	0	0	110.4	I372 D440 Q441 L446 K447 E448	I372-M444 HydrophobicContact CG2-SD 3.94Å; D440-M444 HydrophobicContact CB-CE 3.68Å; Q441-M444 PolarHBondContact O-N 3.5Å; Q441-M444 VanDerWaalsContact O-N 3.16Å; M444-L446 VanDerWaalsContact C-N 3.32Å; M444-L446 PolarHBondContact O-N 3.03Å; M444-K447 PolarHBondContact O-N 2.83Å; M444-E448 HydrophobicContact CG-CG 4.38Å; M444-E448 PolarHBondContact O-N 3.46Å; M444-E448 VanDerWaalsContact SD-CD 3.53Å; M444-E448 HydrophobicContact SD-CG 4.13Å
445	I	98.3	Very high	96.9	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-58.4	-45.8	-179.1	-62.9	166.6	0	0	0	110.6	I372 D440 Q441 P442 A449 Y491 F497	I372-I445 HydrophobicContact CG2-CB 4.44Å; I372-I445 HydrophobicContact CG2-CG1 4.44Å; I372-I445 HydrophobicContact CG2-CG2 4.35Å; D440-I445 HydrophobicContact CB-CD1 4.11Å; D440-I445 HydrophobicContact CB-CG1 4.18Å; Q441-I445 WeakPolarHBondContact O-CG1 3.31Å; Q441-I445 PolarHBondContact O-N 3.41Å; Q441-I445 VanDerWaalsContact O-N 3.08Å; P442-I445 PolarHBondContact O-N 3.49Å; I445-A449 WeakPolarHBondContact O-CB 3.13Å; I445-A449 PolarHBondContact O-N 3.13Å; I445-Y491 HydrophobicContact CD1-CE1 4.42Å; I445-Y491 HydrophobicContact CD1-CE2 4.1Å; I445-Y491 WeakPolarHBondContact CD1-OH 3.34Å; I445-F497 HydrophobicContact CB-CE2 4.1Å; I445-F497 HydrophobicContact CG2-CD2 4.43Å; I445-F497 HydrophobicContact CG2-CE2 3.72Å; I445-F497 HydrophobicContact CG2-CZ 4.36Å
446	L	98.4	Very high	97	Very high	11 Å²	11	49 Å²	49	6%	0.058	23%	0.23	C	C	.	.	H	α-helix	trans	-65.7	-46.5	-179.9	177.5	57.7	0	0	0	111.5	M408 P442 M444 A449 V450 F497 L500 L501	M408-L446 HydrophobicContact CE-CD1 4.34Å; P442-L446 WeakPolarHBondContact O-CB 3.46Å; P442-L446 PolarHBondContact O-N 3.11Å; M444-L446 VanDerWaalsContact C-N 3.32Å; M444-L446 PolarHBondContact O-N 3.03Å; L446-A449 PolarHBondContact O-N 3.42Å; L446-V450 HydrophobicContact CD1-CG2 4Å; L446-V450 WeakPolarHBondContact O-CG2 3.29Å; L446-V450 PolarHBondContact O-N 2.79Å; L446-F497 HydrophobicContact CB-CE2 3.88Å; L446-F497 HydrophobicContact CD1-CZ 4.49Å; L446-L500 HydrophobicContact CD2-CB 3.67Å; L446-L501 HydrophobicContact CD1-CD2 3.49Å; L446-L501 VanDerWaalsContact CD1-CD2 3.49Å; L446-L501 HydrophobicContact CD1-CG 4.38Å
447	K	98.3	Very high	97.1	Very high	131 Å²	131	43.3 Å²	43.3	57%	0.57	21%	0.208	S	C	*	.	H	α-helix	trans	-57.9	-53.4	179.5	-179.5	-178.3	173	-174.9	0	111	E443 M444 A449 V450 E451	E443-K447 VanDerWaalsContact O-CB 3.32Å; E443-K447 WeakPolarHBondContact O-CB 3.42Å; E443-K447 PolarHBondContact O-N 2.87Å; M444-K447 PolarHBondContact O-N 2.83Å; K447-A449 VanDerWaalsContact C-N 3.32Å; K447-A449 PolarHBondContact O-N 3.16Å; K447-V450 PolarHBondContact O-N 3.17Å; K447-E451 WeakPolarHBondContact CE-OE1 3.47Å; K447-E451 WeakPolarHBondContact CG-OE1 3.27Å; K447-E451 WeakPolarHBondContact O-CG 3.31Å; K447-E451 PolarHBondContact O-N 3.46Å
448	E	98.3	Very high	97	Very high	67 Å²	67	47.9 Å²	47.9	31%	0.313	23%	0.228	S	C	.	.	H	α-helix	trans	-65.1	-35.1	179.6	-71.2	-170.9	-159.8	0	0	112	I372 M444 N452	I372-E448 HydrophobicContact CD1-CB 4.43Å; I372-E448 HydrophobicContact CG1-CB 4.08Å; I372-E448 HydrophobicContact CG2-CB 3.79Å; I372-E448 WeakPolarHBondContact CG2-OE2 3.49Å; M444-E448 HydrophobicContact CG-CG 4.38Å; M444-E448 PolarHBondContact O-N 3.46Å; M444-E448 VanDerWaalsContact SD-CD 3.53Å; M444-E448 HydrophobicContact SD-CG 4.13Å; E448-N452 WeakPolarHBondContact O-CB 3.45Å; E448-N452 PolarHBondContact O-N 3.22Å; E448-N452 PolarHBondContact O-ND2 3.17Å; E448-N452 VanDerWaalsContact O-ND2 3.1Å
449	A	98.1	Very high	96.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-62.5	-45.7	175.9	0	0	0	0	0	112	I372 M408 I445 L446 K447 H453	I372-A449 VanDerWaalsContact CD1-CA 3.49Å; I372-A449 HydrophobicContact CD1-CB 3.69Å; M408-A449 HydrophobicContact CE-CB 4.07Å; M408-A449 VanDerWaalsContact SD-C 3.51Å; M408-A449 HydrophobicContact SD-CB 3.74Å; I445-A449 WeakPolarHBondContact O-CB 3.13Å; I445-A449 PolarHBondContact O-N 3.13Å; L446-A449 PolarHBondContact O-N 3.42Å; K447-A449 VanDerWaalsContact C-N 3.32Å; K447-A449 PolarHBondContact O-N 3.16Å; A449-H453 VanDerWaalsContact O-CB 3.26Å; A449-H453 WeakPolarHBondContact O-CB 3.49Å; A449-H453 PolarHBondContact O-N 2.88Å
450	V	98.3	Very high	96.4	Very high	31 Å²	31	44.9 Å²	44.9	19%	0.188	21%	0.213	C	C	.	.	H	α-helix	trans	-65.8	-46.9	178	172.3	0	0	0	0	110.7	M408 L446 K447 N452 H453 Q454 I506	M408-V450 HydrophobicContact CE-CG2 4.34Å; M408-V450 HydrophobicContact SD-CG2 4.15Å; L446-V450 HydrophobicContact CD1-CG2 4Å; L446-V450 WeakPolarHBondContact O-CG2 3.29Å; L446-V450 PolarHBondContact O-N 2.79Å; K447-V450 PolarHBondContact O-N 3.17Å; V450-N452 PolarHBondContact O-N 3Å; V450-H453 PolarHBondContact O-N 3.12Å; V450-Q454 HydrophobicContact CG1-CG 4.38Å; V450-Q454 WeakPolarHBondContact O-CB 3.41Å; V450-Q454 VanDerWaalsContact O-CG 3.3Å; V450-Q454 WeakPolarHBondContact O-CG 3.38Å; V450-Q454 PolarHBondContact O-N 3.22Å; V450-I506 HydrophobicContact CG2-CD1 4.44Å
451	E	97.9	Very high	95.9	Very high	84 Å²	84	52.2 Å²	52.2	39%	0.393	24%	0.244	S	C	.	.	H	α-helix	trans	-60.3	-46.7	178.6	-73.7	175.5	-177.1	0	0	111.6	K447 Q454 N455	K447-E451 WeakPolarHBondContact CE-OE1 3.47Å; K447-E451 WeakPolarHBondContact CG-OE1 3.27Å; K447-E451 WeakPolarHBondContact O-CG 3.31Å; K447-E451 PolarHBondContact O-N 3.46Å; E451-Q454 PolarHBondContact O-N 2.93Å; E451-N455 WeakPolarHBondContact O-CB 3.31Å; E451-N455 PolarHBondContact O-N 3.14Å; E451-N455 PolarHBondContact O-ND2 3.13Å
452	N	97.3	Very high	95	Very high	34 Å²	34	49.7 Å²	49.7	18%	0.182	25%	0.248	C	C	.	.	H	α-helix	trans	-65.4	-39.8	177.6	-74.8	-30	0	0	0	112	Q370 V378 E448 V450 N455 M456	Q370-N452 HydrophobicContact CB-CB 3.82Å; Q370-N452 HydrophobicContact CG-CB 4.18Å; V378-N452 HydrophobicContact CG1-CB 3.53Å; E448-N452 WeakPolarHBondContact O-CB 3.45Å; E448-N452 PolarHBondContact O-N 3.22Å; E448-N452 PolarHBondContact O-ND2 3.17Å; E448-N452 VanDerWaalsContact O-ND2 3.1Å; V450-N452 PolarHBondContact O-N 3Å; N452-N455 PolarHBondContact O-N 2.99Å; N452-M456 WeakPolarHBondContact O-CG 3.31Å; N452-M456 PolarHBondContact O-N 3.39Å
453	H	96.9	Very high	94.3	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-61.2	-49.3	173.8	-176.7	83.6	0	0	0	111.4	V378 C407 M408 A449 V450 N455 M456 I457	V378-H453 HydrophobicContact CG2-CB 4.35Å; C407-H453 PolarHBondContact O-CE1 3.38Å; C407-H453 VanDerWaalsContact O-CE1 3.29Å; M408-H453 HydrophobicContact CG-CB 3.99Å; M408-H453 HydrophobicContact SD-CB 4.09Å; A449-H453 VanDerWaalsContact O-CB 3.26Å; A449-H453 WeakPolarHBondContact O-CB 3.49Å; A449-H453 PolarHBondContact O-N 2.88Å; V450-H453 PolarHBondContact O-N 3.12Å; H453-N455 VanDerWaalsContact C-N 3.31Å; H453-N455 PolarHBondContact O-N 3.4Å; H453-M456 WeakPolarHBondContact O-CB 3.24Å; H453-M456 PolarHBondContact O-N 2.94Å; H453-M456 VanDerWaalsContact O-N 3.14Å; H453-I457 WeakPolarHBondContact O-CG1 3.43Å; H453-I457 PolarHBondContact O-N 3.06Å
454	Q	96.7	Very high	93.5	Very high	55 Å²	55	47.6 Å²	47.6	26%	0.257	24%	0.241	S	C	.	.	H	α-helix	trans	-60	-40.6	176.9	-74.9	176.9	-21.8	0	0	112.1	V450 E451 M456 I457 K458 M475	V450-Q454 HydrophobicContact CG1-CG 4.38Å; V450-Q454 WeakPolarHBondContact O-CB 3.41Å; V450-Q454 VanDerWaalsContact O-CG 3.3Å; V450-Q454 WeakPolarHBondContact O-CG 3.38Å; V450-Q454 PolarHBondContact O-N 3.22Å; E451-Q454 PolarHBondContact O-N 2.93Å; Q454-M456 VanDerWaalsContact C-N 3.34Å; Q454-M456 PolarHBondContact O-N 3.03Å; Q454-I457 PolarHBondContact O-N 3.15Å; Q454-K458 VanDerWaalsContact O-CG 3.3Å; Q454-K458 WeakPolarHBondContact O-CG 3.5Å; Q454-K458 PolarHBondContact O-N 3.09Å; Q454-M475 HydrophobicContact CB-CE 3.91Å; Q454-M475 HydrophobicContact CG-CE 4.09Å; Q454-M475 PolarHBondContact NE2-O 2.98Å
455	N	95.4	Very high	92.9	Very high	70 Å²	70	47.3 Å²	47.3	37%	0.374	25%	0.252	S	S	.	.	H	α-helix	trans	-64.8	-38	176.4	-70.1	-23.9	0	0	0	111.9	E451 N452 H453 K458 Q459	E451-N455 WeakPolarHBondContact O-CB 3.31Å; E451-N455 PolarHBondContact O-N 3.14Å; E451-N455 PolarHBondContact O-ND2 3.13Å; N452-N455 PolarHBondContact O-N 2.99Å; H453-N455 VanDerWaalsContact C-N 3.31Å; H453-N455 PolarHBondContact O-N 3.4Å; N455-K458 PolarHBondContact O-N 3.05Å; N455-K458 PolarHBondContact OD1-NZ 3.49Å; N455-K458 VanDerWaalsContact OD1-NZ 3.07Å; N455-Q459 WeakPolarHBondContact O-CG 3.2Å; N455-Q459 PolarHBondContact O-N 2.85Å
456	M	94.1	Very high	92.5	Very high	12 Å²	12	48.7 Å²	48.7	6%	0.059	26%	0.26	C	S	.	.	H	α-helix	trans	-65.6	-39.1	171.7	-71.3	-174	-66.7	0	0	112.2	Q370 V378 L380 N452 H453 Q454 Q459 F460	Q370-M456 HydrophobicContact CG-CE 4.26Å; Q370-M456 HydrophobicContact CG-CG 4.24Å; Q370-M456 HydrophobicContact CG-SD 3.85Å; V378-M456 HydrophobicContact CG1-CE 4.19Å; V378-M456 HydrophobicContact CG2-CE 4.3Å; L380-M456 HydrophobicContact CB-CE 4.35Å; L380-M456 HydrophobicContact CB-SD 4.06Å; L380-M456 HydrophobicContact CD1-CB 4.48Å; N452-M456 WeakPolarHBondContact O-CG 3.31Å; N452-M456 PolarHBondContact O-N 3.39Å; H453-M456 WeakPolarHBondContact O-CB 3.24Å; H453-M456 PolarHBondContact O-N 2.94Å; H453-M456 VanDerWaalsContact O-N 3.14Å; Q454-M456 VanDerWaalsContact C-N 3.34Å; Q454-M456 PolarHBondContact O-N 3.03Å; M456-Q459 WeakPolarHBondContact O-CB 3.49Å; M456-Q459 PolarHBondContact O-N 3.44Å; M456-F460 VanDerWaalsContact O-CD2 3.23Å; M456-F460 WeakPolarHBondContact O-CD2 3.47Å; M456-F460 WeakPolarHBondContact O-CE2 3.42Å
457	I	94.9	Very high	92.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-64.4	-43.7	174.6	-63.6	-68.6	0	0	0	110.9	L380 T384 L388 H453 Q454 Q459 F460 F471 M475	L380-I457 HydrophobicContact CD1-CD1 3.8Å; L380-I457 HydrophobicContact CD1-CG1 4.45Å; T384-I457 HydrophobicContact CG2-CD1 3.63Å; L388-I457 HydrophobicContact CD1-CD1 4Å; H453-I457 WeakPolarHBondContact O-CG1 3.43Å; H453-I457 PolarHBondContact O-N 3.06Å; Q454-I457 PolarHBondContact O-N 3.15Å; I457-Q459 PolarHBondContact O-N 3.4Å; I457-Q459 VanDerWaalsContact O-N 3.12Å; I457-F460 WeakPolarHBondContact O-CB 3.23Å; I457-F460 PolarHBondContact O-N 2.86Å; I457-F471 HydrophobicContact CG2-CD2 4.28Å; I457-F471 HydrophobicContact CG2-CE2 4.23Å; I457-F471 WeakPolarHBondContact O-CE2 3.45Å; I457-M475 HydrophobicContact CB-SD 4.13Å; I457-M475 HydrophobicContact CG2-CG 4.43Å; I457-M475 HydrophobicContact CG2-SD 3.72Å
458	K	93.6	Very high	92.1	Very high	103 Å²	103	48.4 Å²	48.4	45%	0.448	27%	0.272	S	S	.	.	H	α-helix	trans	-55.3	-32.1	178	-74.5	172.4	-165.2	164.3	0	113	Q454 N455 F460 K461 M475	Q454-K458 VanDerWaalsContact O-CG 3.3Å; Q454-K458 WeakPolarHBondContact O-CG 3.5Å; Q454-K458 PolarHBondContact O-N 3.09Å; N455-K458 PolarHBondContact O-N 3.05Å; N455-K458 PolarHBondContact OD1-NZ 3.49Å; N455-K458 VanDerWaalsContact OD1-NZ 3.07Å; K458-F460 PolarHBondContact O-N 3.37Å; K458-K461 WeakPolarHBondContact O-CB 3.49Å; K458-K461 PolarHBondContact O-N 2.87Å; K458-M475 HydrophobicContact CD-CE 4.39Å; K458-M475 HydrophobicContact CG-CE 3.9Å; K458-M475 HydrophobicContact CG-SD 3.92Å
459	Q	89.1	Confident	91.9	Very high	84 Å²	84	50.5 Å²	50.5	39%	0.393	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-14.4	176.8	-66.1	165.4	1.8	0	0	113.3	K153 N455 M456 I457 K461	K153-Q459 VanDerWaalsContact CE-CD 3.41Å; N455-Q459 WeakPolarHBondContact O-CG 3.2Å; N455-Q459 PolarHBondContact O-N 2.85Å; M456-Q459 WeakPolarHBondContact O-CB 3.49Å; M456-Q459 PolarHBondContact O-N 3.44Å; I457-Q459 PolarHBondContact O-N 3.4Å; I457-Q459 VanDerWaalsContact O-N 3.12Å; Q459-K461 VanDerWaalsContact C-N 3.33Å
460	F	88.1	Confident	91.8	Very high	5 Å²	5	51.4 Å²	51.4	2%	0.022	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-2.4	173.1	-70	-91.9	0	0	0	113.3	W150 L380 K385 L388 M456 I457 K458 G462 V463 V466	W150-F460 HydrophobicContact CH2-CD1 4.22Å; W150-F460 AromaticContact CH2-CE1 3.67Å; W150-F460 HydrophobicContact CH2-CE1 3.67Å; W150-F460 HydrophobicContact CH2-CZ 4.2Å; W150-F460 HydrophobicContact CZ3-CD1 4.32Å; W150-F460 HydrophobicContact CZ3-CE1 4.03Å; W150-F460 HydrophobicContact CZ3-CZ 4.35Å; L380-F460 HydrophobicContact CD2-CD2 4.25Å; L380-F460 HydrophobicContact CD2-CE2 3.29Å; L380-F460 HydrophobicContact CD2-CZ 3.69Å; K385-F460 HydrophobicContact CB-CE1 4.15Å; K385-F460 HydrophobicContact CB-CZ 4.36Å; K385-F460 HydrophobicContact CD-CE1 4.02Å; K385-F460 HydrophobicContact CD-CZ 3.69Å; K385-F460 HydrophobicContact CG-CE1 3.86Å; K385-F460 HydrophobicContact CG-CZ 3.57Å; L388-F460 HydrophobicContact CD1-CB 4.22Å; L388-F460 HydrophobicContact CD1-CD1 4.28Å; L388-F460 HydrophobicContact CD1-CD2 4.17Å; L388-F460 HydrophobicContact CD1-CG 3.94Å; M456-F460 VanDerWaalsContact O-CD2 3.23Å; M456-F460 WeakPolarHBondContact O-CD2 3.47Å; M456-F460 WeakPolarHBondContact O-CE2 3.42Å; I457-F460 WeakPolarHBondContact O-CB 3.23Å; I457-F460 PolarHBondContact O-N 2.86Å; K458-F460 PolarHBondContact O-N 3.37Å; F460-G462 PolarHBondContact O-N 3.2Å; F460-V463 HydrophobicContact CB-CG2 4.47Å; F460-V463 HydrophobicContact CD1-CG2 4.46Å; F460-V463 WeakPolarHBondContact O-CB 3.34Å; F460-V463 PolarHBondContact O-N 3.29Å; F460-V463 VanDerWaalsContact O-N 3.13Å; F460-V466 HydrophobicContact CB-CG2 4.27Å; F460-V466 HydrophobicContact CD1-CG2 4.43Å
461	K	87.3	Confident	91.7	Very high	167 Å²	167	51.6 Å²	51.6	73%	0.726	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	121.8	177.5	-168.7	175.7	-178.2	179.3	0	109.7	K458 Q459 V463 F471	K458-K461 WeakPolarHBondContact O-CB 3.49Å; K458-K461 PolarHBondContact O-N 2.87Å; Q459-K461 VanDerWaalsContact C-N 3.33Å; K461-V463 VanDerWaalsContact C-N 3.28Å; K461-V463 PolarHBondContact O-N 2.91Å; K461-F471 HydrophobicContact CB-CE2 3.79Å; K461-F471 HydrophobicContact CB-CZ 3.72Å; K461-F471 HydrophobicContact CD-CZ 4.27Å; K461-F471 HydrophobicContact CG-CE1 4.45Å; K461-F471 HydrophobicContact CG-CE2 4.48Å; K461-F471 HydrophobicContact CG-CZ 4.06Å
462	G	79.4	Confident	91.6	Very high	56 Å²	56	54.4 Å²	54.4	58%	0.577	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	4.4	-179.3	0	0	0	0	0	114.9	F460	F460-G462 PolarHBondContact O-N 3.2Å
463	V	83.8	Confident	91.6	Very high	7 Å²	7	55.8 Å²	55.8	4%	0.042	30%	0.302	C	S	.	.			trans	-69.8	133	172.9	173.3	0	0	0	0	109.9	W150 F460 K461 G465 V466	W150-V463 HydrophobicContact CB-CG2 4.27Å; W150-V463 HydrophobicContact CD2-CB 4.28Å; W150-V463 HydrophobicContact CD2-CG1 3.92Å; W150-V463 HydrophobicContact CD2-CG2 3.4Å; W150-V463 HydrophobicContact CE3-CG1 4.4Å; W150-V463 HydrophobicContact CE3-CG2 3.33Å; W150-V463 HydrophobicContact CG-CG1 4.34Å; W150-V463 HydrophobicContact CG-CG2 3.8Å; W150-V463 HydrophobicContact CH2-CG1 4.27Å; W150-V463 HydrophobicContact CH2-CG2 4.35Å; W150-V463 HydrophobicContact CZ2-CG1 3.77Å; W150-V463 HydrophobicContact CZ2-CG2 4.42Å; W150-V463 HydrophobicContact CZ3-CG2 3.83Å; F460-V463 HydrophobicContact CB-CG2 4.47Å; F460-V463 HydrophobicContact CD1-CG2 4.46Å; F460-V463 WeakPolarHBondContact O-CB 3.34Å; F460-V463 PolarHBondContact O-N 3.29Å; F460-V463 VanDerWaalsContact O-N 3.13Å; K461-V463 VanDerWaalsContact C-N 3.28Å; K461-V463 PolarHBondContact O-N 2.91Å; V463-G465 PolarHBondContact O-N 3.48Å; V463-V466 HydrophobicContact CB-CG2 3.81Å; V463-V466 HydrophobicContact CG1-CG2 4.08Å; V463-V466 WeakPolarHBondContact O-CB 3.47Å; V463-V466 WeakPolarHBondContact O-CG2 3.49Å; V463-V466 PolarHBondContact O-N 2.97Å; V463-V466 VanDerWaalsContact O-N 3.16Å
464	P	80.4	Confident	91.5	Very high	26 Å²	26	55.8 Å²	55.8	17%	0.169	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52	131.8	-178.3	-30.6	36.1	0	0	0	113.7	K114 D117 R389 V466	K114-P464 VanDerWaalsContact O-CG 3.27Å; K114-P464 WeakPolarHBondContact O-CG 3.4Å; D117-P464 HydrophobicContact CB-CB 4.43Å; R389-P464 PolarHBondContact NE-O 3.32Å; R389-P464 PolarHBondContact NH2-O 3.07Å; P464-V466 VanDerWaalsContact C-N 3.27Å; P464-V466 PolarHBondContact O-N 3.31Å
465	G	86	Confident	91.5	Very high	50 Å²	50	55.1 Å²	55.1	52%	0.515	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	-2	177.2	0	0	0	0	0	115.7	R389 V463 K467	R389-G465 WeakPolarHBondContact CA-O 3.41Å; R389-G465 WeakPolarHBondContact CB-O 3.3Å; V463-G465 PolarHBondContact O-N 3.48Å; G465-K467 PolarHBondContact O-N 2.89Å
466	V	91.1	Very high	91.5	Very high	29 Å²	29	55.3 Å²	55.3	18%	0.176	30%	0.303	C	S	.	.			trans	-66.9	126.6	169	173.6	0	0	0	0	109.4	L388 R389 F460 V463 P464 F471	L388-V466 WeakPolarHBondContact O-CA 3.32Å; R389-V466 HydrophobicContact CG-CG2 3.83Å; F460-V466 HydrophobicContact CB-CG2 4.27Å; F460-V466 HydrophobicContact CD1-CG2 4.43Å; V463-V466 HydrophobicContact CB-CG2 3.81Å; V463-V466 HydrophobicContact CG1-CG2 4.08Å; V463-V466 WeakPolarHBondContact O-CB 3.47Å; V463-V466 WeakPolarHBondContact O-CG2 3.49Å; V463-V466 PolarHBondContact O-N 2.97Å; V463-V466 VanDerWaalsContact O-N 3.16Å; P464-V466 VanDerWaalsContact C-N 3.27Å; P464-V466 PolarHBondContact O-N 3.31Å; V466-F471 HydrophobicContact CG1-CB 4.02Å; V466-F471 HydrophobicContact CG1-CD2 4.46Å
467	K	93.2	Very high	91.7	Very high	65 Å²	65	55.2 Å²	55.2	28%	0.283	30%	0.303	S	S	.	.			trans	-79.1	131.6	177.3	-66.4	-178.2	173.1	178.6	0	109.6	L388 G465 E469 R470 F471 D717	L388-K467 PolarHBondContact O-N 3.27Å; G465-K467 PolarHBondContact O-N 2.89Å; K467-E469 HydrophobicContact CB-CG 4.25Å; K467-E469 PolarHBondContact O-N 2.98Å; K467-R470 HydrophobicContact CB-CB 4.11Å; K467-R470 HydrophobicContact CB-CG 3.91Å; K467-R470 HydrophobicContact CD-CG 4.22Å; K467-R470 PolarHBondContact O-N 2.93Å; K467-F471 PolarHBondContact O-N 3.06Å; K467-D717 IonicContact NZ-OD1 3.5Å
468	A	94	Very high	91.8	Very high	72 Å²	72	58.6 Å²	58.6	60%	0.595	32%	0.318	S	S	*	.	H	α-helix	trans	-58.3	-46.6	-178.2	0	0	0	0	0	112.3	R470 F471 E472	A468-R470 VanDerWaalsContact C-N 3.32Å; A468-R470 PolarHBondContact O-N 3.41Å; A468-F471 WeakPolarHBondContact O-CB 3.45Å; A468-F471 PolarHBondContact O-N 3.38Å; A468-E472 WeakPolarHBondContact O-CG 3.44Å; A468-E472 PolarHBondContact O-N 3.08Å
469	E	95	Very high	92.1	Very high	110 Å²	110	54 Å²	54	51%	0.514	30%	0.298	S	S	.	.	H	α-helix	trans	-55.8	-44.1	175.9	67.3	-170.5	175.2	0	0	112.2	K467 E472 E473	K467-E469 HydrophobicContact CB-CG 4.25Å; K467-E469 PolarHBondContact O-N 2.98Å; E469-E472 PolarHBondContact O-N 3.16Å; E469-E473 WeakPolarHBondContact O-CB 3.4Å; E469-E473 VanDerWaalsContact O-CG 3.3Å; E469-E473 WeakPolarHBondContact O-CG 3.38Å; E469-E473 PolarHBondContact O-N 3.29Å
470	R	94.9	Very high	92.5	Very high	20 Å²	20	50 Å²	50	8%	0.075	28%	0.279	C	S	.	.	H	α-helix	trans	-71.6	-34.2	-179.2	-63.8	-56.1	-164	176	8.3	111.8	L388 E403 H405 K467 A468 E473 G474	L388-R470 HydrophobicContact CD2-CB 4.38Å; L388-R470 WeakPolarHBondContact CD2-O 3.5Å; E403-R470 IonicContact OE1-NH1 2.88Å; E403-R470 PolarHBondContact OE1-NH1 2.65Å; H405-R470 PolarHBondContact CD2-O 3.35Å; H405-R470 PolarHBondContact CE1-NH1 2.93Å; H405-R470 PolarHBondContact NE2-NH1 3.27Å; K467-R470 HydrophobicContact CB-CB 4.11Å; K467-R470 HydrophobicContact CB-CG 3.91Å; K467-R470 HydrophobicContact CD-CG 4.22Å; K467-R470 PolarHBondContact O-N 2.93Å; A468-R470 VanDerWaalsContact C-N 3.32Å; A468-R470 PolarHBondContact O-N 3.41Å; R470-E473 WeakPolarHBondContact CD-OE2 3.44Å; R470-E473 IonicContact CZ-OE2 2.67Å; R470-E473 IonicContact NH1-OE2 3.66Å; R470-E473 PolarHBondContact NH1-OE2 3.08Å; R470-G474 PolarHBondContact O-N 2.94Å
471	F	96.3	Very high	93	Very high	35 Å²	35	50 Å²	50	15%	0.154	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-46.7	173.7	178	-92.8	0	0	0	111.1	I457 K461 V466 K467 A468 G474 M475	I457-F471 HydrophobicContact CG2-CD2 4.28Å; I457-F471 HydrophobicContact CG2-CE2 4.23Å; I457-F471 WeakPolarHBondContact O-CE2 3.45Å; K461-F471 HydrophobicContact CB-CE2 3.79Å; K461-F471 HydrophobicContact CB-CZ 3.72Å; K461-F471 HydrophobicContact CD-CZ 4.27Å; K461-F471 HydrophobicContact CG-CE1 4.45Å; K461-F471 HydrophobicContact CG-CE2 4.48Å; K461-F471 HydrophobicContact CG-CZ 4.06Å; V466-F471 HydrophobicContact CG1-CB 4.02Å; V466-F471 HydrophobicContact CG1-CD2 4.46Å; K467-F471 PolarHBondContact O-N 3.06Å; A468-F471 WeakPolarHBondContact O-CB 3.45Å; A468-F471 PolarHBondContact O-N 3.38Å; F471-G474 PolarHBondContact O-N 3.41Å; F471-M475 HydrophobicContact CE1-CG 4.49Å; F471-M475 HydrophobicContact CZ-SD 4.43Å; F471-M475 WeakPolarHBondContact O-CG 3.44Å; F471-M475 PolarHBondContact O-N 2.65Å
472	E	96.2	Very high	93.5	Very high	142 Å²	142	42 Å²	42	66%	0.664	25%	0.245	S	C	*	.	H	α-helix	trans	-61.8	-45.9	176.9	-71.2	175.8	-169.5	0	0	111.8	A468 E469 G474 M475	A468-E472 WeakPolarHBondContact O-CG 3.44Å; A468-E472 PolarHBondContact O-N 3.08Å; E469-E472 PolarHBondContact O-N 3.16Å; E472-G474 VanDerWaalsContact C-N 3.34Å; E472-G474 PolarHBondContact O-N 3.41Å; E472-M475 PolarHBondContact O-N 3.32Å
473	E	96.4	Very high	94.2	Very high	64 Å²	64	41 Å²	41	30%	0.299	23%	0.229	S	C	.	.	H	α-helix	trans	-60.5	-42.4	175	-74.1	172.7	174.4	0	0	112.4	H405 R406 E469 R470 M475 T476	H405-E473 IonicContact CD2-OE2 2.61Å; H405-E473 IonicContact CE1-OE2 3.4Å; H405-E473 IonicContact NE2-OE2 3.79Å; H405-E473 PolarHBondContact NE2-OE2 3.42Å; R406-E473 HydrophobicContact CG-CB 4.42Å; E469-E473 WeakPolarHBondContact O-CB 3.4Å; E469-E473 VanDerWaalsContact O-CG 3.3Å; E469-E473 WeakPolarHBondContact O-CG 3.38Å; E469-E473 PolarHBondContact O-N 3.29Å; R470-E473 WeakPolarHBondContact CD-OE2 3.44Å; R470-E473 IonicContact CZ-OE2 2.67Å; R470-E473 IonicContact NH1-OE2 3.66Å; R470-E473 PolarHBondContact NH1-OE2 3.08Å; E473-M475 PolarHBondContact O-N 3.29Å; E473-T476 PolarHBondContact O-N 3.45Å
474	G	95.1	Very high	94.5	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-67.8	-19.5	-177.1	0	0	0	0	0	114.2	H405 R470 F471 E472 T476	H405-G474 VanDerWaalsContact O-CA 3.24Å; H405-G474 WeakPolarHBondContact O-CA 3.26Å; R470-G474 PolarHBondContact O-N 2.94Å; F471-G474 PolarHBondContact O-N 3.41Å; E472-G474 VanDerWaalsContact C-N 3.34Å; E472-G474 PolarHBondContact O-N 3.41Å; G474-T476 PolarHBondContact O-N 2.99Å
475	M	96.3	Very high	94.9	Very high	41 Å²	41	40.4 Å²	40.4	20%	0.202	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-19.3	171.2	-70.4	-57.4	-55.8	0	0	112.9	Q454 I457 K458 F471 E472 E473	Q454-M475 HydrophobicContact CB-CE 3.91Å; Q454-M475 HydrophobicContact CG-CE 4.09Å; Q454-M475 PolarHBondContact NE2-O 2.98Å; I457-M475 HydrophobicContact CB-SD 4.13Å; I457-M475 HydrophobicContact CG2-CG 4.43Å; I457-M475 HydrophobicContact CG2-SD 3.72Å; K458-M475 HydrophobicContact CD-CE 4.39Å; K458-M475 HydrophobicContact CG-CE 3.9Å; K458-M475 HydrophobicContact CG-SD 3.92Å; F471-M475 HydrophobicContact CE1-CG 4.49Å; F471-M475 HydrophobicContact CZ-SD 4.43Å; F471-M475 WeakPolarHBondContact O-CG 3.44Å; F471-M475 PolarHBondContact O-N 2.65Å; E472-M475 PolarHBondContact O-N 3.32Å; E473-M475 PolarHBondContact O-N 3.29Å
476	T	96.8	Very high	95.1	Very high	73 Å²	73	39.1 Å²	39.1	45%	0.448	21%	0.211	S	C	.	.	S	Bend	trans	-107.8	106.5	176.9	-56.7	0	0	0	0	110.5	E473 G474 K478	E473-T476 PolarHBondContact O-N 3.45Å; G474-T476 PolarHBondContact O-N 2.99Å; T476-K478 PolarHBondContact O-N 2.89Å
477	V	97.9	Very high	95.3	Very high	10 Å²	10	37.9 Å²	37.9	6%	0.061	20%	0.204	C	C	.	.			trans	-63.3	126.9	174	-178	0	0	0	0	109.7	M408 H479 I506	M408-V477 HydrophobicContact CB-CG1 3.62Å; M408-V477 HydrophobicContact CB-CG2 4.23Å; V477-H479 WeakPolarHBondContact CG1-O 3.4Å; V477-I506 HydrophobicContact CB-CD1 4.31Å; V477-I506 HydrophobicContact CG1-CD1 4.09Å; V477-I506 HydrophobicContact CG1-CG1 4.4Å; V477-I506 HydrophobicContact CG1-CG2 4.07Å
478	K	97.9	Very high	95.4	Very high	72 Å²	72	34.9 Å²	34.9	31%	0.313	19%	0.191	S	C	.	.			trans	-113.7	-25.2	173.2	-74.4	-60.4	-171.3	177	0	113.3	R406 T476 I506 S507	R406-K478 HydrophobicContact CB-CB 4.15Å; R406-K478 HydrophobicContact CB-CG 4.46Å; R406-K478 PolarHBondContact O-N 2.94Å; T476-K478 PolarHBondContact O-N 2.89Å; K478-I506 CarbonylContact O-C 3.58Å; K478-I506 WeakPolarHBondContact O-CA 3.44Å; K478-S507 PolarHBondContact O-N 3.31Å; K478-S507 PolarHBondContact O-OG 2.75Å
479	H	98.6	Very high	95.5	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.028	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	136.6	-174.4	-50.6	-57.8	0	0	0	109.9	I402 R406 C407 M408 V477 S507 F509 Y672	I402-H479 HydrophobicContact CG2-CB 4.19Å; R406-H479 PolarHBondContact O-N 3.1Å; R406-H479 VanDerWaalsContact O-N 3.14Å; C407-H479 CarbonylContact C-O 3.5Å; C407-H479 WeakPolarHBondContact CA-O 3.47Å; C407-H479 HydrophobicContact CB-CB 4.12Å; M408-H479 PolarHBondContact N-O 3.15Å; V477-H479 WeakPolarHBondContact CG1-O 3.4Å; H479-S507 PolarHBondContact ND1-OG 3.36Å; H479-F509 HydrophobicContact CB-CD2 4.37Å; H479-F509 HydrophobicContact CB-CE2 3.85Å; H479-F509 AromaticContact ND1-CE2 3.99Å; H479-Y672 AromaticContact CE1-CD1 3.88Å; H479-Y672 AromaticContact CE1-CE1 3.56Å; H479-Y672 AromaticContact CE1-CE2 3.73Å; H479-Y672 AromaticContact CE1-CZ 3.5Å; H479-Y672 AromaticContact ND1-CE1 3.7Å
480	C	98.6	Very high	95.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	111.1	173.8	-176.7	0	0	0	0	109.2	M408 T410 L501 I506 S507 F509	M408-C480 HydrophobicContact CE-CB 4.37Å; M408-C480 CarbonylContact O-C 3.56Å; M408-C480 WeakPolarHBondContact O-CA 3.34Å; T410-C480 WeakPolarHBondContact CG2-SG 3.35Å; C480-L501 HydrophobicContact CB-CD1 3.92Å; C480-L501 HydrophobicContact CB-CD2 3.71Å; C480-L501 HydrophobicContact CB-CG 4.47Å; C480-I506 HydrophobicContact CB-CG2 3.64Å; C480-S507 PolarHBondContact N-O 3.46Å; C480-F509 PolarHBondContact O-N 3.27Å
481	A	98.3	Very high	95.6	Very high	4 Å²	4	26 Å²	26	3%	0.033	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	103	172.2	0	0	0	0	0	109.3	M408 E409 T410 S483	M408-A481 PolarHBondContact O-N 3.32Å; E409-A481 HydrophobicContact CG-CB 4.48Å; T410-A481 PolarHBondContact N-O 2.81Å; T410-A481 VanDerWaalsContact O-O 3.1Å; A481-S483 PolarHBondContact O-N 3.18Å
482	L	97.9	Very high	95.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	72.3	172	-63.9	166.7	0	0	0	108.1	T410 P412 P488 I494 F497 L498 L501 F509 L510 V511	T410-L482 HydrophobicContact CG2-CD2 3.69Å; T410-L482 WeakPolarHBondContact O-CA 3.48Å; P412-L482 HydrophobicContact CG-CD2 4.48Å; L482-P488 HydrophobicContact CB-CB 4.14Å; L482-P488 HydrophobicContact CB-CG 4.17Å; L482-P488 WeakPolarHBondContact O-CG 3.4Å; L482-I494 HydrophobicContact CD1-CD1 4.34Å; L482-F497 HydrophobicContact CD1-CE1 4.47Å; L482-F497 HydrophobicContact CD2-CD1 4.31Å; L482-F497 HydrophobicContact CD2-CE1 3.64Å; L482-L498 HydrophobicContact CD1-CD2 3.82Å; L482-L501 HydrophobicContact CD1-CD1 4.43Å; L482-F509 PolarHBondContact N-O 3.38Å; L482-L510 HydrophobicContact CB-CB 4.45Å; L482-L510 HydrophobicContact CB-CG 4.41Å; L482-L510 HydrophobicContact CD1-CB 4.35Å; L482-L510 HydrophobicContact CD1-CD1 4.14Å; L482-L510 HydrophobicContact CD1-CG 4.41Å; L482-V511 PolarHBondContact O-N 3.45Å; L482-V511 VanDerWaalsContact O-N 3.08Å
483	S	94.1	Very high	95.7	Very high	34 Å²	34	24.1 Å²	24.1	24%	0.238	14%	0.136	C	C	.	.			trans	-154.1	14.4	-172.2	69.5	0	0	0	0	114.3	T410 A481 V511	T410-S483 PolarHBondContact O-N 3.4Å; A481-S483 PolarHBondContact O-N 3.18Å; S483-V511 VanDerWaalsContact CB-CG2 3.45Å
484	L	90.4	Very high	95.7	Very high	11 Å²	11	21.6 Å²	21.6	6%	0.058	13%	0.125	C	C	.	.	S	Bend	trans	-66.8	-54.8	-172.2	-179.2	57.9	0	0	0	112.5	Y369 G377 K379 E409 T411	Y369-L484 HydrophobicContact CD1-CD2 3.92Å; Y369-L484 HydrophobicContact CE1-CD1 3.89Å; Y369-L484 HydrophobicContact CE1-CD2 3.39Å; Y369-L484 HydrophobicContact CE1-CG 3.59Å; Y369-L484 WeakPolarHBondContact OH-CD1 3.37Å; G377-L484 WeakPolarHBondContact O-CD2 3.48Å; K379-L484 HydrophobicContact CB-CD1 3.67Å; K379-L484 HydrophobicContact CB-CD2 4Å; K379-L484 HydrophobicContact CD-CD1 4.45Å; K379-L484 HydrophobicContact CG-CD1 4.49Å; E409-L484 HydrophobicContact CG-CB 4.01Å; E409-L484 HydrophobicContact CG-CD1 3.91Å; T411-L484 HydrophobicContact CG2-CB 4.23Å; T411-L484 HydrophobicContact CG2-CD2 4.42Å
485	V	87.8	Confident	95.9	Very high	11 Å²	11	24 Å²	24	7%	0.067	14%	0.137	C	C	.	.	S	Bend	trans	-167.8	158.4	179.8	62.4	0	0	0	0	108.5	Y369 T411 S413 L414 R425 N429	Y369-V485 HydrophobicContact CE1-CG1 4.18Å; T411-V485 VanDerWaalsContact CB-O 3.23Å; T411-V485 WeakPolarHBondContact CB-O 3.36Å; T411-V485 HydrophobicContact CG2-CG1 3.74Å; T411-V485 WeakPolarHBondContact CG2-O 3.23Å; T411-V485 PolarHBondContact OG1-O 3.01Å; S413-V485 VanDerWaalsContact O-O 3.06Å; L414-V485 HydrophobicContact CD2-CG1 3.22Å; L414-V485 HydrophobicContact CG-CG1 4.46Å; R425-V485 VanDerWaalsContact CD-CG2 3.46Å; N429-V485 WeakPolarHBondContact ND2-CG2 3.38Å
486	G	91.1	Very high	96	Very high	22 Å²	22	27 Å²	27	23%	0.227	15%	0.146	C	C	.	.	S	Bend	trans	77.3	-157.4	179.4	0	0	0	0	0	111.6	S413 A415	S413-G486 WeakPolarHBondContact O-CA 3.33Å; A415-G486 CarbonylContact O-C 3.57Å; A415-G486 WeakPolarHBondContact O-CA 3.43Å
487	E	93.6	Very high	96.1	Very high	4 Å²	4	23.5 Å²	23.5	2%	0.019	13%	0.125	C	C	.	.			trans	-125.7	96.8	-178	-178.5	54	-121.3	0	0	109.4	S413 A415 I489 M490 T512 N513 F516	S413-E487 VanDerWaalsContact CB-O 3.27Å; S413-E487 WeakPolarHBondContact CB-O 3.44Å; S413-E487 PolarHBondContact OG-O 2.61Å; A415-E487 PolarHBondContact O-N 3Å; E487-I489 VanDerWaalsContact C-N 3.27Å; E487-I489 HydrophobicContact CG-CG2 4.03Å; E487-I489 PolarHBondContact O-N 3.03Å; E487-I489 WeakPolarHBondContact OE1-CG2 3.19Å; E487-M490 HydrophobicContact CB-CB 4.33Å; E487-M490 HydrophobicContact CG-CB 4.21Å; E487-M490 WeakPolarHBondContact O-CB 3.47Å; E487-M490 PolarHBondContact O-N 2.89Å; E487-M490 VanDerWaalsContact O-N 3.16Å; E487-T512 VanDerWaalsContact CD-OG1 3.27Å; E487-T512 VanDerWaalsContact OE1-CA 3.29Å; E487-T512 WeakPolarHBondContact OE1-CA 3.46Å; E487-T512 WeakPolarHBondContact OE1-CB 3.48Å; E487-T512 PolarHBondContact OE1-OG1 3.44Å; E487-T512 PolarHBondContact OE2-OG1 3.45Å; E487-N513 WeakPolarHBondContact OE2-CB 3.36Å; E487-N513 PolarHBondContact OE2-N 3.27Å; E487-N513 PolarHBondContact OE2-ND2 3.49Å; E487-N513 PolarHBondContact OE2-OD1 3.26Å; E487-F516 HydrophobicContact CG-CD2 3.81Å; E487-F516 HydrophobicContact CG-CE2 3.7Å
488	P	96	Very high	96.1	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.013	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-58.4	-35.3	-175.1	-26.5	34.6	0	0	0	114	P412 L482 M490 Y491 L510 V511	P412-P488 HydrophobicContact CG-CB 4.16Å; L482-P488 HydrophobicContact CB-CB 4.14Å; L482-P488 HydrophobicContact CB-CG 4.17Å; L482-P488 WeakPolarHBondContact O-CG 3.4Å; P488-M490 PolarHBondContact O-N 3.04Å; P488-Y491 WeakPolarHBondContact O-CB 3.35Å; P488-Y491 PolarHBondContact O-N 3.35Å; P488-Y491 VanDerWaalsContact O-N 3.15Å; P488-L510 HydrophobicContact CB-CG 4.48Å; P488-V511 WeakPolarHBondContact CD-O 3.34Å
489	I	95.8	Very high	96.1	Very high	3 Å²	3	22.8 Å²	22.8	2%	0.015	12%	0.121	C	C	.	.	G	3₁₀ helix	trans	-67.7	-16.3	-176.7	-145.9	178.2	0	0	0	112.8	E487 Y491 L510 F516 E519 I520 L523	E487-I489 VanDerWaalsContact C-N 3.27Å; E487-I489 HydrophobicContact CG-CG2 4.03Å; E487-I489 PolarHBondContact O-N 3.03Å; E487-I489 WeakPolarHBondContact OE1-CG2 3.19Å; I489-Y491 VanDerWaalsContact C-N 3.26Å; I489-Y491 PolarHBondContact O-N 3.25Å; I489-L510 HydrophobicContact CB-CD2 4.39Å; I489-F516 HydrophobicContact CG2-CB 3.75Å; I489-F516 HydrophobicContact CG2-CD2 4.12Å; I489-F516 HydrophobicContact CG2-CG 4.1Å; I489-E519 HydrophobicContact CD1-CB 3.83Å; I489-E519 HydrophobicContact CG1-CB 3.91Å; I489-E519 HydrophobicContact CG2-CB 4.31Å; I489-I520 HydrophobicContact CD1-CB 4.37Å; I489-I520 HydrophobicContact CD1-CG1 3.64Å; I489-L523 HydrophobicContact CD1-CD1 4.36Å; I489-L523 HydrophobicContact CG1-CD1 4.13Å
490	M	94.6	Very high	96.1	Very high	12 Å²	12	23.3 Å²	23.3	6%	0.059	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-73.1	-18	177.1	-165.3	-175.9	176.1	0	0	112.8	A415 E434 W435 W437 E487 P488 P492 F516	A415-M490 HydrophobicContact CB-SD 4.15Å; E434-M490 WeakPolarHBondContact O-CE 3.47Å; W435-M490 HydrophobicContact CE3-CG 4.39Å; W437-M490 HydrophobicContact CH2-CE 4.3Å; W437-M490 HydrophobicContact CZ3-CE 3.71Å; E487-M490 HydrophobicContact CB-CB 4.33Å; E487-M490 HydrophobicContact CG-CB 4.21Å; E487-M490 WeakPolarHBondContact O-CB 3.47Å; E487-M490 PolarHBondContact O-N 2.89Å; E487-M490 VanDerWaalsContact O-N 3.16Å; P488-M490 PolarHBondContact O-N 3.04Å; M490-P492 WeakPolarHBondContact O-CD 3.45Å; M490-F516 HydrophobicContact CG-CE1 4.49Å; M490-F516 HydrophobicContact CG-CZ 4.23Å; M490-F516 HydrophobicContact SD-CZ 4.4Å
491	Y	97.1	Very high	96	Very high	1 Å²	1	23.3 Å²	23.3	0%	0.004	12%	0.124	C	C	.	.	S	Bend	trans	-67.5	122.4	178.6	174.7	-122.4	0	0	0	110.5	H375 P412 W435 V439 D440 P442 I445 P488 I489 E493 I494 F497	H375-Y491 AromaticContact CE1-CD2 3.72Å; H375-Y491 AromaticContact CE1-CE2 3.48Å; H375-Y491 VanDerWaalsContact CE1-CE2 3.48Å; H375-Y491 WeakPolarHBondContact CE1-CE2 3.35Å; H375-Y491 AromaticContact NE2-CE2 3.85Å; P412-Y491 HydrophobicContact CB-CD1 3.77Å; P412-Y491 HydrophobicContact CB-CD2 4.44Å; P412-Y491 HydrophobicContact CB-CE1 4.36Å; P412-Y491 HydrophobicContact CB-CG 3.81Å; P412-Y491 HydrophobicContact CG-CD1 4.2Å; P412-Y491 HydrophobicContact CG-CG 4.27Å; W435-Y491 AromaticContact CH2-CD2 3.77Å; W435-Y491 HydrophobicContact CH2-CD2 3.77Å; W435-Y491 HydrophobicContact CZ2-CD2 4.25Å; W435-Y491 HydrophobicContact CZ3-CD2 4.14Å; V439-Y491 HydrophobicContact CG1-CE2 3.95Å; D440-Y491 PolarHBondContact O-OH 2.98Å; P442-Y491 HydrophobicContact CB-CE1 4.31Å; P442-Y491 WeakPolarHBondContact CD-OH 3.43Å; I445-Y491 HydrophobicContact CD1-CE1 4.42Å; I445-Y491 HydrophobicContact CD1-CE2 4.1Å; I445-Y491 WeakPolarHBondContact CD1-OH 3.34Å; P488-Y491 WeakPolarHBondContact O-CB 3.35Å; P488-Y491 PolarHBondContact O-N 3.35Å; P488-Y491 VanDerWaalsContact O-N 3.15Å; I489-Y491 VanDerWaalsContact C-N 3.26Å; I489-Y491 PolarHBondContact O-N 3.25Å; Y491-E493 HydrophobicContact CD1-CB 4.4Å; Y491-E493 VanDerWaalsContact CE1-C 3.46Å; Y491-E493 HydrophobicContact CE1-CB 3.64Å; Y491-E493 PolarHBondContact O-N 3.48Å; Y491-E493 VanDerWaalsContact O-N 3.09Å; Y491-I494 HydrophobicContact CD1-CB 4.31Å; Y491-I494 WeakPolarHBondContact O-CB 3.44Å; Y491-I494 WeakPolarHBondContact O-CG2 3.33Å; Y491-I494 PolarHBondContact O-N 2.95Å; Y491-F497 HydrophobicContact CE1-CB 4.2Å
492	P	96.9	Very high	96	Very high	75 Å²	75	23.8 Å²	23.8	49%	0.487	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-30.5	-172.2	-29.4	36.4	0	0	0	114.6	W435 V439 M490	W435-P492 HydrophobicContact CB-CG 3.97Å; W435-P492 VanDerWaalsContact CD2-CD 3.41Å; W435-P492 HydrophobicContact CD2-CG 3.75Å; W435-P492 HydrophobicContact CE3-CG 4.35Å; W435-P492 HydrophobicContact CG-CG 3.54Å; V439-P492 HydrophobicContact CG2-CG 4.14Å; M490-P492 WeakPolarHBondContact O-CD 3.45Å
493	E	97.8	Very high	96	Very high	62 Å²	62	28.9 Å²	28.9	29%	0.29	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	26.2	-178.7	-53.2	-163	92.5	0	0	112.9	V439 P442 Y491 N495 R496 F497	V439-E493 HydrophobicContact CG1-CG 4.36Å; P442-E493 VanDerWaalsContact CD-OE2 3.3Å; P442-E493 WeakPolarHBondContact CD-OE2 3.41Å; P442-E493 HydrophobicContact CG-CB 4.26Å; Y491-E493 HydrophobicContact CD1-CB 4.4Å; Y491-E493 VanDerWaalsContact CE1-C 3.46Å; Y491-E493 HydrophobicContact CE1-CB 3.64Å; Y491-E493 PolarHBondContact O-N 3.48Å; Y491-E493 VanDerWaalsContact O-N 3.09Å; E493-N495 VanDerWaalsContact C-N 3.28Å; E493-N495 PolarHBondContact O-N 2.92Å; E493-R496 HydrophobicContact CB-CB 4.28Å; E493-R496 WeakPolarHBondContact O-CB 3.27Å; E493-R496 PolarHBondContact O-N 3.43Å; E493-F497 PolarHBondContact O-N 2.97Å
494	I	98.1	Very high	96.2	Very high	11 Å²	11	30.9 Å²	30.9	6%	0.056	16%	0.163	C	C	.	.	H	α-helix	trans	-55.1	-40.3	-177.6	-172.4	59.5	0	0	0	113.1	P412 L482 Y491 R496 F497 L498 L510 L523	P412-I494 HydrophobicContact CG-CD1 4.13Å; L482-I494 HydrophobicContact CD1-CD1 4.34Å; Y491-I494 HydrophobicContact CD1-CB 4.31Å; Y491-I494 WeakPolarHBondContact O-CB 3.44Å; Y491-I494 WeakPolarHBondContact O-CG2 3.33Å; Y491-I494 PolarHBondContact O-N 2.95Å; I494-R496 VanDerWaalsContact C-N 3.35Å; I494-R496 PolarHBondContact O-N 3.2Å; I494-F497 WeakPolarHBondContact O-CB 3.47Å; I494-F497 PolarHBondContact O-N 3.3Å; I494-L498 HydrophobicContact CD1-CG 4.48Å; I494-L498 HydrophobicContact CG1-CD1 4.25Å; I494-L498 HydrophobicContact CG1-CG 4.45Å; I494-L498 VanDerWaalsContact O-CG 3.26Å; I494-L498 WeakPolarHBondContact O-CG 3.28Å; I494-L498 PolarHBondContact O-N 3.24Å; I494-L510 HydrophobicContact CD1-CD1 4Å; I494-L510 HydrophobicContact CG1-CD1 3.94Å; I494-L523 HydrophobicContact CG1-CD1 4.23Å; I494-L523 HydrophobicContact CG2-CD1 4.16Å
495	N	98.1	Very high	96.5	Very high	49 Å²	49	37 Å²	37	26%	0.262	19%	0.189	S	C	.	.	H	α-helix	trans	-65.7	-37.3	177.8	-78.1	-31	0	0	0	112.4	E493 K499 N522 L523 K524	E493-N495 VanDerWaalsContact C-N 3.28Å; E493-N495 PolarHBondContact O-N 2.92Å; N495-K499 PolarHBondContact O-N 2.62Å; N495-K499 VanDerWaalsContact O-N 3.08Å; N495-N522 PolarHBondContact ND2-O 3.18Å; N495-L523 WeakPolarHBondContact OD1-CA 3.41Å; N495-K524 HydrophobicContact CB-CG 3.98Å; N495-K524 PolarHBondContact OD1-N 2.96Å
496	R	98.1	Very high	97	Very high	105 Å²	105	36.9 Å²	36.9	40%	0.396	19%	0.187	S	C	.	.	H	α-helix	trans	-67.4	-43	174.9	178.8	61.1	-179.6	-179.9	2.5	110.5	P442 E443 E493 I494 L498 K499 L500	P442-R496 HydrophobicContact CB-CG 4.32Å; P442-R496 HydrophobicContact CG-CB 4.08Å; P442-R496 HydrophobicContact CG-CG 3.46Å; P442-R496 VanDerWaalsContact CG-CG 3.46Å; E443-R496 IonicContact OE1-CZ 2.86Å; E443-R496 IonicContact OE1-NE 3.24Å; E443-R496 PolarHBondContact OE1-NE 3.04Å; E443-R496 IonicContact OE1-NH2 3.45Å; E443-R496 PolarHBondContact OE1-NH2 3.22Å; E493-R496 HydrophobicContact CB-CB 4.28Å; E493-R496 WeakPolarHBondContact O-CB 3.27Å; E493-R496 PolarHBondContact O-N 3.43Å; I494-R496 VanDerWaalsContact C-N 3.35Å; I494-R496 PolarHBondContact O-N 3.2Å; R496-L498 PolarHBondContact O-N 2.8Å; R496-K499 PolarHBondContact O-N 2.94Å; R496-L500 HydrophobicContact CG-CD1 4.45Å; R496-L500 WeakPolarHBondContact O-CG 3.23Å; R496-L500 PolarHBondContact O-N 3.01Å
497	F	98.5	Very high	97.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-60.5	-43.6	175.9	-172.8	-97.4	0	0	0	112.6	P442 I445 L446 L482 Y491 E493 I494 L500 L501	P442-F497 HydrophobicContact CB-CB 3.99Å; P442-F497 HydrophobicContact CB-CD2 3.99Å; I445-F497 HydrophobicContact CB-CE2 4.1Å; I445-F497 HydrophobicContact CG2-CD2 4.43Å; I445-F497 HydrophobicContact CG2-CE2 3.72Å; I445-F497 HydrophobicContact CG2-CZ 4.36Å; L446-F497 HydrophobicContact CB-CE2 3.88Å; L446-F497 HydrophobicContact CD1-CZ 4.49Å; L482-F497 HydrophobicContact CD1-CE1 4.47Å; L482-F497 HydrophobicContact CD2-CD1 4.31Å; L482-F497 HydrophobicContact CD2-CE1 3.64Å; Y491-F497 HydrophobicContact CE1-CB 4.2Å; E493-F497 PolarHBondContact O-N 2.97Å; I494-F497 WeakPolarHBondContact O-CB 3.47Å; I494-F497 PolarHBondContact O-N 3.3Å; F497-L500 PolarHBondContact O-N 3.09Å; F497-L501 HydrophobicContact CD1-CD1 3.97Å; F497-L501 HydrophobicContact CD1-CG 4.42Å; F497-L501 HydrophobicContact CE1-CD1 3.68Å; F497-L501 HydrophobicContact CE1-CD2 4.49Å; F497-L501 HydrophobicContact CE1-CG 4.11Å; F497-L501 PolarHBondContact O-N 3.44Å
498	L	98.2	Very high	97.6	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-60.9	-44.7	175.2	-71.8	169.8	0	0	0	112	L482 I494 R496 L500 L501 H502 L523 V526	L482-L498 HydrophobicContact CD1-CD2 3.82Å; I494-L498 HydrophobicContact CD1-CG 4.48Å; I494-L498 HydrophobicContact CG1-CD1 4.25Å; I494-L498 HydrophobicContact CG1-CG 4.45Å; I494-L498 VanDerWaalsContact O-CG 3.26Å; I494-L498 WeakPolarHBondContact O-CG 3.28Å; I494-L498 PolarHBondContact O-N 3.24Å; R496-L498 PolarHBondContact O-N 2.8Å; L498-L500 VanDerWaalsContact C-N 3.33Å; L498-L500 PolarHBondContact O-N 3.07Å; L498-L501 HydrophobicContact CD2-CD1 4.4Å; L498-L501 WeakPolarHBondContact O-CB 3.27Å; L498-L501 PolarHBondContact O-N 3.19Å; L498-H502 PolarHBondContact O-N 3.17Å; L498-H502 VanDerWaalsContact O-N 3.12Å; L498-H502 PolarHBondContact O-ND1 3.35Å; L498-L523 HydrophobicContact CD1-CD1 3.72Å; L498-L523 HydrophobicContact CD1-CG 4.16Å; L498-V526 HydrophobicContact CD1-CG1 3.51Å; L498-V526 HydrophobicContact CD2-CG1 3.76Å; L498-V526 HydrophobicContact CG-CG1 4.24Å
499	K	97.9	Very high	97.7	Very high	66 Å²	66	35.7 Å²	35.7	29%	0.287	18%	0.176	S	C	.	.	H	α-helix	trans	-58.8	-43.8	175.7	178.5	168.5	-179.8	152	0	112.1	N495 R496 L501 H502 Q503 E683	N495-K499 PolarHBondContact O-N 2.62Å; N495-K499 VanDerWaalsContact O-N 3.08Å; R496-K499 PolarHBondContact O-N 2.94Å; K499-L501 PolarHBondContact O-N 2.66Å; K499-H502 PolarHBondContact O-N 3.09Å; K499-Q503 HydrophobicContact CG-CG 4.48Å; K499-Q503 WeakPolarHBondContact O-CG 3.32Å; K499-Q503 PolarHBondContact O-N 3.19Å; K499-E683 WeakPolarHBondContact CD-OE2 3.42Å; K499-E683 WeakPolarHBondContact CE-OE2 3.4Å; K499-E683 IonicContact NZ-OE2 2.94Å; K499-E683 PolarHBondContact NZ-OE2 3.21Å
500	L	98.3	Very high	97.8	Very high	17 Å²	17	35.5 Å²	35.5	9%	0.089	18%	0.175	C	C	.	.	H	α-helix	trans	-62.6	-40.9	177.3	-69.1	168.3	0	0	0	112	P442 E443 L446 R496 F497 L498 H502 Q503 C504	P442-L500 HydrophobicContact CB-CD1 3.87Å; P442-L500 HydrophobicContact CG-CD1 4.14Å; E443-L500 HydrophobicContact CB-CD1 4.41Å; E443-L500 HydrophobicContact CG-CD1 3.82Å; E443-L500 HydrophobicContact CG-CD2 4.08Å; L446-L500 HydrophobicContact CD2-CB 3.67Å; R496-L500 HydrophobicContact CG-CD1 4.45Å; R496-L500 WeakPolarHBondContact O-CG 3.23Å; R496-L500 PolarHBondContact O-N 3.01Å; F497-L500 PolarHBondContact O-N 3.09Å; L498-L500 VanDerWaalsContact C-N 3.33Å; L498-L500 PolarHBondContact O-N 3.07Å; L500-H502 VanDerWaalsContact C-N 3.34Å; L500-H502 PolarHBondContact O-N 3.02Å; L500-Q503 PolarHBondContact O-N 3.06Å; L500-C504 PolarHBondContact O-N 3.09Å; L500-C504 PolarHBondContact O-SG 3.09Å
501	L	98.3	Very high	98	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-57	-48.1	174.2	-73.6	170.3	0	0	0	111.5	L446 C480 L482 F497 L498 K499 C504 K505 I506	L446-L501 HydrophobicContact CD1-CD2 3.49Å; L446-L501 VanDerWaalsContact CD1-CD2 3.49Å; L446-L501 HydrophobicContact CD1-CG 4.38Å; C480-L501 HydrophobicContact CB-CD1 3.92Å; C480-L501 HydrophobicContact CB-CD2 3.71Å; C480-L501 HydrophobicContact CB-CG 4.47Å; L482-L501 HydrophobicContact CD1-CD1 4.43Å; F497-L501 HydrophobicContact CD1-CD1 3.97Å; F497-L501 HydrophobicContact CD1-CG 4.42Å; F497-L501 HydrophobicContact CE1-CD1 3.68Å; F497-L501 HydrophobicContact CE1-CD2 4.49Å; F497-L501 HydrophobicContact CE1-CG 4.11Å; F497-L501 PolarHBondContact O-N 3.44Å; L498-L501 HydrophobicContact CD2-CD1 4.4Å; L498-L501 WeakPolarHBondContact O-CB 3.27Å; L498-L501 PolarHBondContact O-N 3.19Å; K499-L501 PolarHBondContact O-N 2.66Å; L501-C504 CarbonylContact O-C 3.08Å; L501-C504 PolarHBondContact O-N 2.86Å; L501-C504 VanDerWaalsContact O-N 3.16Å; L501-K505 PolarHBondContact O-N 3.05Å; L501-I506 CarbonylContact C-O 3.59Å; L501-I506 HydrophobicContact CB-CB 4.38Å; L501-I506 HydrophobicContact CD2-CB 4.15Å; L501-I506 HydrophobicContact CD2-CD1 4.25Å; L501-I506 HydrophobicContact CD2-CG2 3.93Å; L501-I506 WeakPolarHBondContact O-CB 3.41Å; L501-I506 PolarHBondContact O-N 3.46Å
502	H	98.1	Very high	97.9	Very high	13 Å²	13	36 Å²	36	6%	0.06	18%	0.179	C	C	.	.	H	α-helix	trans	-68	-36.8	-179.1	-59.1	151	0	0	0	112.5	L498 K499 L500 C504 K505 I506 S508 P525 F675 Q676 I679	L498-H502 PolarHBondContact O-N 3.17Å; L498-H502 VanDerWaalsContact O-N 3.12Å; L498-H502 PolarHBondContact O-ND1 3.35Å; K499-H502 PolarHBondContact O-N 3.09Å; L500-H502 VanDerWaalsContact C-N 3.34Å; L500-H502 PolarHBondContact O-N 3.02Å; H502-C504 PolarHBondContact O-N 2.82Å; H502-K505 WeakPolarHBondContact O-CA 3.17Å; H502-K505 PolarHBondContact O-N 2.84Å; H502-I506 PolarHBondContact CD2-O 3.15Å; H502-S508 PolarHBondContact CE1-OG 3.14Å; H502-S508 PolarHBondContact NE2-OG 3.2Å; H502-P525 PolarHBondContact CE1-O 3.25Å; H502-F675 AromaticContact CD2-CE1 3.78Å; H502-F675 AromaticContact CE1-CZ 3.96Å; H502-F675 AromaticContact NE2-CE1 3.76Å; H502-F675 AromaticContact NE2-CZ 3.68Å; H502-Q676 PolarHBondContact O-OE1 2.94Å; H502-I679 HydrophobicContact CB-CG1 4.14Å; H502-I679 HydrophobicContact CB-CG2 4.15Å
503	Q	97.3	Very high	97.7	Very high	107 Å²	107	33 Å²	33	50%	0.5	16%	0.159	S	C	.	.	H	α-helix	trans	-60.4	-34	171.5	-73.5	176.4	-22.5	0	0	112.4	K499 L500 K505	K499-Q503 HydrophobicContact CG-CG 4.48Å; K499-Q503 WeakPolarHBondContact O-CG 3.32Å; K499-Q503 PolarHBondContact O-N 3.19Å; L500-Q503 PolarHBondContact O-N 3.06Å; Q503-K505 PolarHBondContact O-N 3.43Å
504	C	97.3	Very high	97.6	Very high	77 Å²	77	30.1 Å²	30.1	52%	0.52	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	6.9	172.1	-65	0	0	0	0	113.8	L500 L501 H502 I506	L500-C504 PolarHBondContact O-N 3.09Å; L500-C504 PolarHBondContact O-SG 3.09Å; L501-C504 CarbonylContact O-C 3.08Å; L501-C504 PolarHBondContact O-N 2.86Å; L501-C504 VanDerWaalsContact O-N 3.16Å; H502-C504 PolarHBondContact O-N 2.82Å; C504-I506 VanDerWaalsContact C-N 3.25Å; C504-I506 HydrophobicContact CB-CD1 3.89Å; C504-I506 HydrophobicContact CB-CG1 4.04Å; C504-I506 PolarHBondContact O-N 2.87Å
505	K	97.7	Very high	97.5	Very high	140 Å²	140	29.6 Å²	29.6	61%	0.609	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	34.7	-174.8	-55.5	-175.8	177.9	-175	0	113.5	L501 H502 Q503 Q676	L501-K505 PolarHBondContact O-N 3.05Å; H502-K505 WeakPolarHBondContact O-CA 3.17Å; H502-K505 PolarHBondContact O-N 2.84Å; Q503-K505 PolarHBondContact O-N 3.43Å; K505-Q676 HydrophobicContact CB-CG 4.38Å
506	I	98.6	Very high	97.4	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.036	13%	0.131	C	C	.	.			trans	-103.6	119.8	176.6	-58	172.4	0	0	0	108.5	V450 V477 K478 C480 L501 H502 C504	V450-I506 HydrophobicContact CG2-CD1 4.44Å; V477-I506 HydrophobicContact CB-CD1 4.31Å; V477-I506 HydrophobicContact CG1-CD1 4.09Å; V477-I506 HydrophobicContact CG1-CG1 4.4Å; V477-I506 HydrophobicContact CG1-CG2 4.07Å; K478-I506 CarbonylContact O-C 3.58Å; K478-I506 WeakPolarHBondContact O-CA 3.44Å; C480-I506 HydrophobicContact CB-CG2 3.64Å; L501-I506 CarbonylContact C-O 3.59Å; L501-I506 HydrophobicContact CB-CB 4.38Å; L501-I506 HydrophobicContact CD2-CB 4.15Å; L501-I506 HydrophobicContact CD2-CD1 4.25Å; L501-I506 HydrophobicContact CD2-CG2 3.93Å; L501-I506 WeakPolarHBondContact O-CB 3.41Å; L501-I506 PolarHBondContact O-N 3.46Å; H502-I506 PolarHBondContact CD2-O 3.15Å; C504-I506 VanDerWaalsContact C-N 3.25Å; C504-I506 HydrophobicContact CB-CD1 3.89Å; C504-I506 HydrophobicContact CB-CG1 4.04Å; C504-I506 PolarHBondContact O-N 2.87Å
507	S	98.6	Very high	97.4	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	145.2	175.7	60.9	0	0	0	0	111.5	K478 H479 C480 F509 T527	K478-S507 PolarHBondContact O-N 3.31Å; K478-S507 PolarHBondContact O-OG 2.75Å; H479-S507 PolarHBondContact ND1-OG 3.36Å; C480-S507 PolarHBondContact N-O 3.46Å; S507-F509 VanDerWaalsContact OG-CE2 3.24Å; S507-F509 WeakPolarHBondContact OG-CE2 3.23Å; S507-T527 WeakPolarHBondContact CA-OG1 3.47Å; S507-T527 WeakPolarHBondContact CB-OG1 3.34Å
508	S	98.4	Very high	97.3	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129	-174.4	60.3	0	0	0	0	113.3	H502 T527 Q528	H502-S508 PolarHBondContact CE1-OG 3.14Å; H502-S508 PolarHBondContact NE2-OG 3.2Å; S508-T527 PolarHBondContact N-OG1 2.86Å; S508-T527 VanDerWaalsContact O-CB 3.25Å; S508-T527 WeakPolarHBondContact O-CB 2.93Å; S508-T527 PolarHBondContact O-N 3.31Å; S508-T527 PolarHBondContact OG-N 2.67Å; S508-Q528 PolarHBondContact O-N 2.99Å; S508-Q528 VanDerWaalsContact O-N 3.1Å
509	F	98.6	Very high	97.3	Very high	2 Å²	2	28.4 Å²	28.4	1%	0.009	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	98.5	177.7	-58.9	-83.6	0	0	0	109.2	I402 H479 C480 L482 S507 T527 Q528 Y530 I670 Y672	I402-F509 HydrophobicContact CD1-CD1 3.83Å; I402-F509 HydrophobicContact CD1-CD2 4.39Å; I402-F509 HydrophobicContact CD1-CE1 3.26Å; I402-F509 HydrophobicContact CD1-CE2 3.84Å; I402-F509 HydrophobicContact CD1-CG 4.38Å; I402-F509 HydrophobicContact CD1-CZ 3.23Å; I402-F509 HydrophobicContact CG1-CE1 4.12Å; I402-F509 HydrophobicContact CG1-CE2 4.18Å; I402-F509 HydrophobicContact CG1-CZ 3.63Å; H479-F509 HydrophobicContact CB-CD2 4.37Å; H479-F509 HydrophobicContact CB-CE2 3.85Å; H479-F509 AromaticContact ND1-CE2 3.99Å; C480-F509 PolarHBondContact O-N 3.27Å; L482-F509 PolarHBondContact N-O 3.38Å; S507-F509 VanDerWaalsContact OG-CE2 3.24Å; S507-F509 WeakPolarHBondContact OG-CE2 3.23Å; F509-T527 HydrophobicContact CZ-CG2 4.47Å; F509-Q528 WeakPolarHBondContact CA-O 3Å; F509-Q528 HydrophobicContact CD1-CB 3.78Å; F509-Q528 HydrophobicContact CE1-CB 4Å; F509-Y530 HydrophobicContact CB-CE2 3.98Å; F509-Y530 AromaticContact CD1-CE2 3.97Å; F509-Y530 HydrophobicContact CD1-CE2 3.97Å; F509-Y530 HydrophobicContact CG-CE2 4.48Å; F509-I670 HydrophobicContact CE1-CD1 3.94Å; F509-I670 HydrophobicContact CZ-CD1 4.3Å; F509-Y672 AromaticContact CZ-CE1 3.94Å; F509-Y672 HydrophobicContact CZ-CE1 3.94Å
510	L	98.3	Very high	97.2	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	126.4	-174.9	-169.5	151.7	0	0	0	110.9	L482 P488 I489 I494 L523 Q528 L529 Y530	L482-L510 HydrophobicContact CB-CB 4.45Å; L482-L510 HydrophobicContact CB-CG 4.41Å; L482-L510 HydrophobicContact CD1-CB 4.35Å; L482-L510 HydrophobicContact CD1-CD1 4.14Å; L482-L510 HydrophobicContact CD1-CG 4.41Å; P488-L510 HydrophobicContact CB-CG 4.48Å; I489-L510 HydrophobicContact CB-CD2 4.39Å; I494-L510 HydrophobicContact CD1-CD1 4Å; I494-L510 HydrophobicContact CG1-CD1 3.94Å; L510-L523 HydrophobicContact CD1-CD1 4.25Å; L510-L523 HydrophobicContact CD1-CD2 4.3Å; L510-Q528 PolarHBondContact N-O 3.02Å; L510-L529 HydrophobicContact CB-CD1 4.17Å; L510-L529 HydrophobicContact CD2-CD1 3.59Å; L510-L529 HydrophobicContact CG-CD1 4.45Å; L510-Y530 WeakPolarHBondContact O-CD2 2.98Å; L510-Y530 PolarHBondContact O-N 2.96Å
511	V	97.1	Very high	97.2	Very high	21 Å²	21	30.8 Å²	30.8	13%	0.127	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	132.5	175.3	-175.6	0	0	0	0	109.6	L482 S483 P488 Y530	L482-V511 PolarHBondContact O-N 3.45Å; L482-V511 VanDerWaalsContact O-N 3.08Å; S483-V511 VanDerWaalsContact CB-CG2 3.45Å; P488-V511 WeakPolarHBondContact CD-O 3.34Å; V511-Y530 HydrophobicContact CG2-CD2 4.12Å; V511-Y530 HydrophobicContact CG2-CG 4.03Å
512	T	95.6	Very high	97.2	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.012	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	152	176.5	-174.9	0	0	0	0	112	E487 A514 I520 Y530 V531 S532	E487-T512 VanDerWaalsContact CD-OG1 3.27Å; E487-T512 VanDerWaalsContact OE1-CA 3.29Å; E487-T512 WeakPolarHBondContact OE1-CA 3.46Å; E487-T512 WeakPolarHBondContact OE1-CB 3.48Å; E487-T512 PolarHBondContact OE1-OG1 3.44Å; E487-T512 PolarHBondContact OE2-OG1 3.45Å; T512-A514 VanDerWaalsContact C-N 3.28Å; T512-A514 PolarHBondContact O-N 3.43Å; T512-I520 HydrophobicContact CG2-CD1 3.98Å; T512-I520 HydrophobicContact CG2-CG1 4.33Å; T512-Y530 WeakPolarHBondContact CG2-O 3.34Å; T512-Y530 PolarHBondContact N-O 3.03Å; T512-V531 HydrophobicContact CG2-CG2 3.95Å; T512-V531 WeakPolarHBondContact O-CA 3.37Å; T512-S532 PolarHBondContact O-N 2.92Å
513	N	92.8	Very high	97.1	Very high	13 Å²	13	36 Å²	36	7%	0.07	18%	0.182	C	C	.	.			trans	-84.9	9	178.1	70.3	10.7	0	0	0	114.6	C416 E487 Q515	C416-N513 PolarHBondContact SG-ND2 3.11Å; E487-N513 WeakPolarHBondContact OE2-CB 3.36Å; E487-N513 PolarHBondContact OE2-N 3.27Å; E487-N513 PolarHBondContact OE2-ND2 3.49Å; E487-N513 PolarHBondContact OE2-OD1 3.26Å; N513-Q515 VanDerWaalsContact C-N 3.32Å; N513-Q515 PolarHBondContact O-N 2.91Å; N513-Q515 VanDerWaalsContact OD1-CB 3.31Å; N513-Q515 WeakPolarHBondContact OD1-CB 3.41Å; N513-Q515 WeakPolarHBondContact OD1-CG 3.32Å; N513-Q515 PolarHBondContact OD1-N 3.47Å
514	A	95	Very high	97.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.18	C	C	.	.	S	Bend	trans	58.4	34.8	-179.6	0	0	0	0	0	115.2	T512 V531 R555 F556 S559	T512-A514 VanDerWaalsContact C-N 3.28Å; T512-A514 PolarHBondContact O-N 3.43Å; A514-V531 HydrophobicContact CB-CG1 3.5Å; A514-V531 VanDerWaalsContact CB-CG1 3.5Å; A514-R555 CarbonylContact O-C 3.55Å; A514-F556 HydrophobicContact CB-CD2 3.64Å; A514-F556 HydrophobicContact CB-CE2 4.1Å; A514-F556 VanDerWaalsContact O-CA 3.24Å; A514-F556 WeakPolarHBondContact O-CA 3.45Å; A514-F556 PolarHBondContact O-N 2.91Å; A514-S559 PolarHBondContact O-OG 2.87Å
515	Q	96.3	Very high	97.1	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.158	C	C	.	.			trans	-100.2	-5.2	170.7	-61.4	-56.2	-60.5	0	0	114	A417 N418 N513 P517 F549 R555	A417-Q515 HydrophobicContact CB-CB 4.28Å; A417-Q515 HydrophobicContact CB-CG 4.48Å; N418-Q515 VanDerWaalsContact OD1-CG 3.31Å; N418-Q515 WeakPolarHBondContact OD1-CG 3.39Å; N513-Q515 VanDerWaalsContact C-N 3.32Å; N513-Q515 PolarHBondContact O-N 2.91Å; N513-Q515 VanDerWaalsContact OD1-CB 3.31Å; N513-Q515 WeakPolarHBondContact OD1-CB 3.41Å; N513-Q515 WeakPolarHBondContact OD1-CG 3.32Å; N513-Q515 PolarHBondContact OD1-N 3.47Å; Q515-P517 VanDerWaalsContact C-CD 3.47Å; Q515-P517 VanDerWaalsContact O-CD 3.31Å; Q515-P517 WeakPolarHBondContact O-CD 3.3Å; Q515-F549 HydrophobicContact CB-CD2 3.91Å; Q515-F549 HydrophobicContact CB-CE2 3.88Å; Q515-F549 HydrophobicContact CG-CD2 4.34Å; Q515-R555 PolarHBondContact O-NH1 3.35Å
516	F	96.8	Very high	97	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.026	13%	0.13	C	C	.	.			trans	-124.1	66.9	-170.3	-68.3	-81.4	0	0	0	111.9	A417 T433 E487 I489 M490 A518 E519 I520 F549	A417-F516 HydrophobicContact CB-CE2 3.65Å; A417-F516 HydrophobicContact CB-CZ 3.85Å; T433-F516 WeakPolarHBondContact O-CE1 3.19Å; E487-F516 HydrophobicContact CG-CD2 3.81Å; E487-F516 HydrophobicContact CG-CE2 3.7Å; I489-F516 HydrophobicContact CG2-CB 3.75Å; I489-F516 HydrophobicContact CG2-CD2 4.12Å; I489-F516 HydrophobicContact CG2-CG 4.1Å; M490-F516 HydrophobicContact CG-CE1 4.49Å; M490-F516 HydrophobicContact CG-CZ 4.23Å; M490-F516 HydrophobicContact SD-CZ 4.4Å; F516-A518 VanDerWaalsContact C-N 3.34Å; F516-A518 PolarHBondContact O-N 3.04Å; F516-E519 VanDerWaalsContact CA-OE2 3.27Å; F516-E519 WeakPolarHBondContact CA-OE2 3.43Å; F516-E519 HydrophobicContact CB-CB 4.02Å; F516-E519 HydrophobicContact CB-CG 4.1Å; F516-E519 VanDerWaalsContact CB-OE2 3.23Å; F516-E519 WeakPolarHBondContact CB-OE2 3.41Å; F516-E519 HydrophobicContact CD1-CG 4.42Å; F516-E519 PolarHBondContact O-N 2.73Å; F516-I520 WeakPolarHBondContact O-CG1 3.38Å; F516-I520 PolarHBondContact O-N 2.86Å; F516-F549 HydrophobicContact CE1-CE2 4.37Å; F516-F549 HydrophobicContact CE1-CZ 4.13Å; F516-F549 HydrophobicContact CE2-CE2 4.47Å; F516-F549 HydrophobicContact CZ-CE2 4.09Å; F516-F549 HydrophobicContact CZ-CZ 4.23Å
517	P	97.4	Very high	97	Very high	12 Å²	12	25.8 Å²	25.8	8%	0.078	13%	0.128	C	C	.	.	H	α-helix	trans	-65.9	-31.9	-173	25.1	-34.8	0	0	0	113.6	Q515 R521 R555 D558 S559	Q515-P517 VanDerWaalsContact C-CD 3.47Å; Q515-P517 VanDerWaalsContact O-CD 3.31Å; Q515-P517 WeakPolarHBondContact O-CD 3.3Å; P517-R521 WeakPolarHBondContact O-CG 3.16Å; P517-R521 PolarHBondContact O-N 3.44Å; P517-R521 VanDerWaalsContact O-N 3.07Å; P517-R555 HydrophobicContact CG-CG 4.5Å; P517-D558 HydrophobicContact CB-CB 3.96Å; P517-D558 HydrophobicContact CG-CB 4.32Å; P517-S559 WeakPolarHBondContact CA-OG 3.27Å
518	A	97.3	Very high	97	Very high	42 Å²	42	25.7 Å²	25.7	35%	0.347	13%	0.128	S	C	.	.	H	α-helix	trans	-68.8	-41	178.8	0	0	0	0	0	111.1	F516 R521 N522	F516-A518 VanDerWaalsContact C-N 3.34Å; F516-A518 PolarHBondContact O-N 3.04Å; A518-R521 PolarHBondContact O-N 2.96Å; A518-N522 WeakPolarHBondContact O-CB 3.47Å; A518-N522 VanDerWaalsContact O-CG 3.3Å; A518-N522 PolarHBondContact O-N 3.22Å; A518-N522 PolarHBondContact O-ND2 3.05Å
519	E	97.2	Very high	97	Very high	70 Å²	70	25.9 Å²	25.9	33%	0.327	13%	0.129	S	C	.	.	H	α-helix	trans	-66.6	-40.2	177.8	-61.5	73.2	-173.5	0	0	110.3	I489 F516 N522 L523	I489-E519 HydrophobicContact CD1-CB 3.83Å; I489-E519 HydrophobicContact CG1-CB 3.91Å; I489-E519 HydrophobicContact CG2-CB 4.31Å; F516-E519 VanDerWaalsContact CA-OE2 3.27Å; F516-E519 WeakPolarHBondContact CA-OE2 3.43Å; F516-E519 HydrophobicContact CB-CB 4.02Å; F516-E519 HydrophobicContact CB-CG 4.1Å; F516-E519 VanDerWaalsContact CB-OE2 3.23Å; F516-E519 WeakPolarHBondContact CB-OE2 3.41Å; F516-E519 HydrophobicContact CD1-CG 4.42Å; F516-E519 PolarHBondContact O-N 2.73Å; E519-N522 PolarHBondContact O-N 3.28Å; E519-L523 WeakPolarHBondContact O-CB 3.48Å; E519-L523 PolarHBondContact O-N 3.26Å
520	I	97.7	Very high	97	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.1	-48.5	171.1	-66.4	173.3	0	0	0	110.2	I489 T512 F516 N522 L523 L529 S559 A562 K566	I489-I520 HydrophobicContact CD1-CB 4.37Å; I489-I520 HydrophobicContact CD1-CG1 3.64Å; T512-I520 HydrophobicContact CG2-CD1 3.98Å; T512-I520 HydrophobicContact CG2-CG1 4.33Å; F516-I520 WeakPolarHBondContact O-CG1 3.38Å; F516-I520 PolarHBondContact O-N 2.86Å; I520-N522 VanDerWaalsContact C-N 3.32Å; I520-N522 PolarHBondContact O-N 2.74Å; I520-L523 WeakPolarHBondContact O-CB 3.41Å; I520-L523 PolarHBondContact O-N 3.07Å; I520-L529 HydrophobicContact CG2-CD2 4.27Å; I520-S559 WeakPolarHBondContact CD1-OG 3.26Å; I520-A562 HydrophobicContact CB-CB 4.09Å; I520-A562 HydrophobicContact CG2-CB 3.65Å; I520-K566 WeakPolarHBondContact O-CE 3.41Å; I520-K566 PolarHBondContact O-NZ 3.1Å
521	R	97.5	Very high	97	Very high	133 Å²	133	25.8 Å²	25.8	50%	0.502	13%	0.128	S	C	.	.	H	α-helix	trans	-58.5	-44.5	178.6	-69.5	177.2	-162.9	121.6	3.8	111.8	P517 A518 L523 A562 K566	P517-R521 WeakPolarHBondContact O-CG 3.16Å; P517-R521 PolarHBondContact O-N 3.44Å; P517-R521 VanDerWaalsContact O-N 3.07Å; A518-R521 PolarHBondContact O-N 2.96Å; R521-L523 VanDerWaalsContact C-N 3.29Å; R521-L523 PolarHBondContact O-N 3.45Å; R521-A562 HydrophobicContact CG-CB 3.66Å; R521-K566 PolarHBondContact O-NZ 3.45Å
522	N	97	Very high	96.8	Very high	115 Å²	115	25.7 Å²	25.7	62%	0.615	13%	0.129	S	C	*	.	H	α-helix	trans	-78.2	-8.6	-177.9	-67	-21.2	0	0	0	114.5	N495 A518 E519 I520 K524	N495-N522 PolarHBondContact ND2-O 3.18Å; A518-N522 WeakPolarHBondContact O-CB 3.47Å; A518-N522 VanDerWaalsContact O-CG 3.3Å; A518-N522 PolarHBondContact O-N 3.22Å; A518-N522 PolarHBondContact O-ND2 3.05Å; E519-N522 PolarHBondContact O-N 3.28Å; I520-N522 VanDerWaalsContact C-N 3.32Å; I520-N522 PolarHBondContact O-N 2.74Å; N522-K524 PolarHBondContact O-N 3.42Å
523	L	97.4	Very high	96.6	Very high	9 Å²	9	25.6 Å²	25.6	5%	0.047	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-63.9	126.6	179.7	-160.4	71.7	0	0	0	110.9	I489 I494 N495 L498 L510 E519 I520 R521 V526 L529 K566	I489-L523 HydrophobicContact CD1-CD1 4.36Å; I489-L523 HydrophobicContact CG1-CD1 4.13Å; I494-L523 HydrophobicContact CG1-CD1 4.23Å; I494-L523 HydrophobicContact CG2-CD1 4.16Å; N495-L523 WeakPolarHBondContact OD1-CA 3.41Å; L498-L523 HydrophobicContact CD1-CD1 3.72Å; L498-L523 HydrophobicContact CD1-CG 4.16Å; L510-L523 HydrophobicContact CD1-CD1 4.25Å; L510-L523 HydrophobicContact CD1-CD2 4.3Å; E519-L523 WeakPolarHBondContact O-CB 3.48Å; E519-L523 PolarHBondContact O-N 3.26Å; I520-L523 WeakPolarHBondContact O-CB 3.41Å; I520-L523 PolarHBondContact O-N 3.07Å; R521-L523 VanDerWaalsContact C-N 3.29Å; R521-L523 PolarHBondContact O-N 3.45Å; L523-V526 HydrophobicContact CD2-CG1 4.01Å; L523-V526 HydrophobicContact CG-CG1 4.4Å; L523-L529 HydrophobicContact CD2-CD1 3.9Å; L523-L529 HydrophobicContact CD2-CD2 4.08Å; L523-K566 PolarHBondContact O-NZ 3.12Å
524	K	96.4	Very high	96.3	Very high	102 Å²	102	25.2 Å²	25.2	44%	0.443	13%	0.126	S	C	.	.	P	Polyproline II helix	trans	-67.3	164.4	171.6	-66.6	-64.7	-177.3	177.3	0	110.8	N495 N522 V526	N495-K524 HydrophobicContact CB-CG 3.98Å; N495-K524 PolarHBondContact OD1-N 2.96Å; N522-K524 PolarHBondContact O-N 3.42Å; K524-V526 PolarHBondContact O-N 3.2Å
525	P	97.1	Very high	96	Very high	9 Å²	9	25.2 Å²	25.2	6%	0.058	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-50.4	133.8	-179.4	-30.4	37.9	0	0	0	112.6	H502 Q568 I679 Y682 F691	H502-P525 PolarHBondContact CE1-O 3.25Å; P525-Q568 HydrophobicContact CB-CG 3.88Å; P525-I679 HydrophobicContact CB-CD1 3.76Å; P525-I679 HydrophobicContact CG-CD1 4.36Å; P525-Y682 HydrophobicContact CG-CD1 4.07Å; P525-Y682 HydrophobicContact CG-CD2 4.15Å; P525-Y682 HydrophobicContact CG-CE1 3.77Å; P525-Y682 HydrophobicContact CG-CE2 3.86Å; P525-Y682 HydrophobicContact CG-CG 4.27Å; P525-F691 HydrophobicContact CB-CE1 4.18Å; P525-F691 HydrophobicContact CB-CZ 3.93Å
526	V	97.2	Very high	95.6	Very high	4 Å²	4	25.4 Å²	25.4	2%	0.024	13%	0.127	C	C	.	.			trans	-119.9	163.6	171.3	-63.2	0	0	0	0	109.2	L498 L523 K524 L529 Q568	L498-V526 HydrophobicContact CD1-CG1 3.51Å; L498-V526 HydrophobicContact CD2-CG1 3.76Å; L498-V526 HydrophobicContact CG-CG1 4.24Å; L523-V526 HydrophobicContact CD2-CG1 4.01Å; L523-V526 HydrophobicContact CG-CG1 4.4Å; K524-V526 PolarHBondContact O-N 3.2Å; V526-L529 HydrophobicContact CG2-CB 3.73Å; V526-Q568 WeakPolarHBondContact O-CB 2.94Å; V526-Q568 WeakPolarHBondContact O-CG 3.39Å
527	T	98.3	Very high	95.4	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	S	Bend	trans	-66.8	-42.1	175.8	-46.8	0	0	0	0	111.1	S507 S508 F509 I670 Y672 F675 Y696	S507-T527 WeakPolarHBondContact CA-OG1 3.47Å; S507-T527 WeakPolarHBondContact CB-OG1 3.34Å; S508-T527 PolarHBondContact N-OG1 2.86Å; S508-T527 VanDerWaalsContact O-CB 3.25Å; S508-T527 WeakPolarHBondContact O-CB 2.93Å; S508-T527 PolarHBondContact O-N 3.31Å; S508-T527 PolarHBondContact OG-N 2.67Å; F509-T527 HydrophobicContact CZ-CG2 4.47Å; T527-I670 HydrophobicContact CG2-CD1 4.24Å; T527-I670 HydrophobicContact CG2-CG2 4.02Å; T527-Y672 HydrophobicContact CG2-CE1 4.5Å; T527-F675 HydrophobicContact CG2-CD1 4.2Å; T527-F675 HydrophobicContact CG2-CD2 4.1Å; T527-F675 HydrophobicContact CG2-CE1 4.38Å; T527-F675 HydrophobicContact CG2-CE2 4.27Å; T527-F675 HydrophobicContact CG2-CG 4.08Å; T527-F675 HydrophobicContact CG2-CZ 4.42Å; T527-F675 WeakPolarHBondContact OG1-CE1 3.37Å; T527-F675 WeakPolarHBondContact OG1-CZ 3.32Å; T527-Y696 HydrophobicContact CG2-CE2 4.46Å; T527-Y696 PolarHBondContact O-OH 2.88Å
528	Q	98.6	Very high	95.2	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	130.3	173.1	-169.7	159.1	-69.8	0	0	111.1	Y400 S508 F509 L510 Y530 R569 V571	Y400-Q528 VanDerWaalsContact CE2-NE2 3.33Å; Y400-Q528 VanDerWaalsContact CZ-NE2 3.3Å; S508-Q528 PolarHBondContact O-N 2.99Å; S508-Q528 VanDerWaalsContact O-N 3.1Å; F509-Q528 WeakPolarHBondContact CA-O 3Å; F509-Q528 HydrophobicContact CD1-CB 3.78Å; F509-Q528 HydrophobicContact CE1-CB 4Å; L510-Q528 PolarHBondContact N-O 3.02Å; Q528-Y530 HydrophobicContact CB-CE2 4.03Å; Q528-Y530 HydrophobicContact CG-CD2 4.41Å; Q528-Y530 HydrophobicContact CG-CE2 3.77Å; Q528-Y530 PolarHBondContact NE2-OH 3.11Å; Q528-R569 CarbonylContact C-O 3.59Å; Q528-R569 WeakPolarHBondContact CA-O 3.3Å; Q528-R569 HydrophobicContact CB-CB 4.16Å; Q528-R569 HydrophobicContact CG-CB 3.87Å; Q528-V571 HydrophobicContact CG-CG2 3.48Å; Q528-V571 VanDerWaalsContact CG-CG2 3.48Å
529	L	98.4	Very high	95	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	127.9	-179.9	-178.5	56.6	0	0	0	110.5	L510 I520 L523 V526 L563 K566 R569 T570 V571	L510-L529 HydrophobicContact CB-CD1 4.17Å; L510-L529 HydrophobicContact CD2-CD1 3.59Å; L510-L529 HydrophobicContact CG-CD1 4.45Å; I520-L529 HydrophobicContact CG2-CD2 4.27Å; L523-L529 HydrophobicContact CD2-CD1 3.9Å; L523-L529 HydrophobicContact CD2-CD2 4.08Å; V526-L529 HydrophobicContact CG2-CB 3.73Å; L529-L563 HydrophobicContact CB-CD1 4.14Å; L529-L563 HydrophobicContact CD2-CD1 3.42Å; L529-L563 VanDerWaalsContact CD2-CD1 3.42Å; L529-L563 HydrophobicContact CG-CD1 3.56Å; L529-K566 HydrophobicContact CD2-CG 4.26Å; L529-R569 PolarHBondContact N-O 3.12Å; L529-T570 CarbonylContact O-C 3.57Å; L529-T570 WeakPolarHBondContact O-CA 3.31Å; L529-V571 PolarHBondContact O-N 2.72Å
530	Y	98.3	Very high	94.6	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	136.8	-179.3	-60	-108.2	0	0	0	110.6	F509 L510 V511 T512 Q528 V571 R573 E601	F509-Y530 HydrophobicContact CB-CE2 3.98Å; F509-Y530 AromaticContact CD1-CE2 3.97Å; F509-Y530 HydrophobicContact CD1-CE2 3.97Å; F509-Y530 HydrophobicContact CG-CE2 4.48Å; L510-Y530 WeakPolarHBondContact O-CD2 2.98Å; L510-Y530 PolarHBondContact O-N 2.96Å; V511-Y530 HydrophobicContact CG2-CD2 4.12Å; V511-Y530 HydrophobicContact CG2-CG 4.03Å; T512-Y530 WeakPolarHBondContact CG2-O 3.34Å; T512-Y530 PolarHBondContact N-O 3.03Å; Q528-Y530 HydrophobicContact CB-CE2 4.03Å; Q528-Y530 HydrophobicContact CG-CD2 4.41Å; Q528-Y530 HydrophobicContact CG-CE2 3.77Å; Q528-Y530 PolarHBondContact NE2-OH 3.11Å; Y530-V571 CarbonylContact C-O 3.59Å; Y530-V571 WeakPolarHBondContact CA-O 3.46Å; Y530-V571 HydrophobicContact CD1-CB 3.5Å; Y530-V571 HydrophobicContact CD1-CG1 3.55Å; Y530-V571 HydrophobicContact CD1-CG2 4.03Å; Y530-V571 HydrophobicContact CE1-CB 3.85Å; Y530-V571 HydrophobicContact CE1-CG1 3.75Å; Y530-V571 HydrophobicContact CE1-CG2 3.91Å; Y530-V571 HydrophobicContact CG-CB 4.03Å; Y530-R573 VanDerWaalsContact CD1-NH2 3.25Å; Y530-E601 WeakPolarHBondContact CE1-OE1 3.47Å
531	V	96.8	Very high	94.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	128.8	164.4	170.2	0	0	0	0	108.5	T512 A514 V533 L560 L563 V571 Y572 R573	T512-V531 HydrophobicContact CG2-CG2 3.95Å; T512-V531 WeakPolarHBondContact O-CA 3.37Å; A514-V531 HydrophobicContact CB-CG1 3.5Å; A514-V531 VanDerWaalsContact CB-CG1 3.5Å; V531-V533 HydrophobicContact CG1-CG2 3.94Å; V531-V533 PolarHBondContact O-N 2.94Å; V531-L560 HydrophobicContact CG1-CD2 3.75Å; V531-L563 HydrophobicContact CB-CD2 4.31Å; V531-L563 HydrophobicContact CG2-CD1 4.06Å; V531-L563 HydrophobicContact CG2-CD2 3.88Å; V531-L563 HydrophobicContact CG2-CG 4.38Å; V531-V571 PolarHBondContact N-O 2.87Å; V531-Y572 HydrophobicContact CB-CD1 4.35Å; V531-R573 PolarHBondContact O-N 3.31Å
532	S	93.6	Very high	94	Very high	19 Å²	19	32.6 Å²	32.6	13%	0.133	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	121.2	169.7	-147	0	0	0	0	109	T512 D534	T512-S532 PolarHBondContact O-N 2.92Å; S532-D534 WeakPolarHBondContact CB-OD2 3.29Å; S532-D534 PolarHBondContact OG-OD1 2.98Å; S532-D534 PolarHBondContact OG-OD2 2.87Å
533	V	92.8	Very high	93.6	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.006	16%	0.162	C	C	.	.			trans	-119.1	75.2	177.9	-177.8	0	0	0	0	107.5	V531 A535 F556 L560 Y572 R573 L574 Y588 L591	V531-V533 HydrophobicContact CG1-CG2 3.94Å; V531-V533 PolarHBondContact O-N 2.94Å; V533-A535 VanDerWaalsContact C-N 3.32Å; V533-F556 HydrophobicContact CB-CZ 4.47Å; V533-F556 HydrophobicContact CG1-CZ 3.96Å; V533-F556 HydrophobicContact CG2-CE2 4.36Å; V533-F556 HydrophobicContact CG2-CZ 4.19Å; V533-L560 HydrophobicContact CG2-CD2 4.35Å; V533-Y572 HydrophobicContact CG2-CD1 4.08Å; V533-Y572 HydrophobicContact CG2-CD2 4.05Å; V533-Y572 HydrophobicContact CG2-CE1 4.47Å; V533-Y572 HydrophobicContact CG2-CE2 4.46Å; V533-Y572 HydrophobicContact CG2-CG 3.86Å; V533-R573 PolarHBondContact N-O 2.85Å; V533-L574 HydrophobicContact CB-CD1 4.24Å; V533-L574 HydrophobicContact CB-CG 4.43Å; V533-Y588 HydrophobicContact CG1-CD1 4.25Å; V533-Y588 HydrophobicContact CG1-CE1 3.99Å; V533-L591 HydrophobicContact CG1-CD1 3.97Å
534	D	85.7	Confident	93	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	16%	0.161	C	C	.	.			trans	-82.2	-13.7	-171.9	-63.7	-62.8	0	0	0	113.2	F422 S532 I544 T575 N581 Y588	F422-D534 HydrophobicContact CE1-CB 3.84Å; F422-D534 HydrophobicContact CZ-CB 3.98Å; F422-D534 WeakPolarHBondContact CZ-OD2 3.47Å; S532-D534 WeakPolarHBondContact CB-OD2 3.29Å; S532-D534 PolarHBondContact OG-OD1 2.98Å; S532-D534 PolarHBondContact OG-OD2 2.87Å; D534-I544 HydrophobicContact CB-CG2 4.25Å; D534-T575 WeakPolarHBondContact OD1-CB 3.43Å; D534-T575 PolarHBondContact OD1-OG1 3.12Å; D534-N581 PolarHBondContact O-ND2 3.24Å; D534-Y588 PolarHBondContact O-OH 3.37Å
535	A	87.6	Confident	92.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.14	C	C	.	.			trans	-151.5	149.8	-178.7	0	0	0	0	0	110.5	V533 S540 L541 I544	V533-A535 VanDerWaalsContact C-N 3.32Å; A535-S540 WeakPolarHBondContact CB-OG 3.32Å; A535-L541 VanDerWaalsContact CB-CA 3.42Å; A535-L541 HydrophobicContact CB-CB 3.9Å; A535-L541 HydrophobicContact CB-CD1 4Å; A535-L541 VanDerWaalsContact CB-N 3.25Å; A535-I544 HydrophobicContact CB-CD1 4.09Å
536	S	89.6	Confident	92.2	Very high	4 Å²	4	34 Å²	34	3%	0.028	16%	0.156	C	C	.	.	S	Bend	trans	-105.4	-10.6	-174.2	75.7	0	0	0	0	114.9	W553 E584 A587	S536-W553 WeakPolarHBondContact O-CH2 3.37Å; S536-E584 PolarHBondContact N-OE2 3.35Å; S536-E584 VanDerWaalsContact N-OE2 3.16Å; S536-E584 WeakPolarHBondContact OG-CB 3.28Å; S536-E584 VanDerWaalsContact OG-CD 3.26Å; S536-E584 PolarHBondContact OG-OE2 2.87Å; S536-A587 VanDerWaalsContact OG-CB 3.23Å; S536-A587 WeakPolarHBondContact OG-CB 3.31Å
537	T	91.6	Very high	92	Very high	39 Å²	39	34.8 Å²	34.8	24%	0.239	16%	0.161	C	C	.	.	S	Bend	trans	-120.8	161	177.5	70.4	0	0	0	0	111.3	E539 S540 L541 E584 A587	T537-E539 VanDerWaalsContact C-N 3.27Å; T537-E539 PolarHBondContact O-N 3.19Å; T537-S540 PolarHBondContact N-OG 2.81Å; T537-S540 VanDerWaalsContact N-OG 3.16Å; T537-S540 PolarHBondContact O-N 2.78Å; T537-S540 PolarHBondContact O-OG 3.32Å; T537-S540 WeakPolarHBondContact OG1-CB 3.3Å; T537-S540 PolarHBondContact OG1-N 2.89Å; T537-S540 PolarHBondContact OG1-OG 2.86Å; T537-L541 VanDerWaalsContact O-CB 3.27Å; T537-L541 WeakPolarHBondContact O-CB 3.15Å; T537-L541 PolarHBondContact O-N 3.45Å; T537-E584 PolarHBondContact OG1-OE1 2.88Å; T537-E584 VanDerWaalsContact OG1-OE1 3.07Å; T537-A587 HydrophobicContact CG2-CB 4.14Å
538	K	93.9	Very high	91.8	Very high	99 Å²	99	38 Å²	38	43%	0.43	18%	0.178	S	C	.	.	H	α-helix	trans	-60.9	-40.3	179.1	176.9	175.6	-179.1	-176.1	0	111.5	K542 F552 W553	K538-K542 WeakPolarHBondContact O-CB 3.22Å; K538-K542 PolarHBondContact O-N 3.36Å; K538-F552 HydrophobicContact CG-CE2 4.06Å; K538-F552 HydrophobicContact CG-CZ 3.79Å; K538-W553 HydrophobicContact CB-CB 4.37Å; K538-W553 HydrophobicContact CB-CD2 3.71Å; K538-W553 HydrophobicContact CB-CE3 4.08Å; K538-W553 HydrophobicContact CB-CG 3.83Å; K538-W553 HydrophobicContact CD-CB 4.09Å; K538-W553 HydrophobicContact CD-CG 4.06Å; K538-W553 HydrophobicContact CG-CB 3.9Å; K538-W553 HydrophobicContact CG-CD2 4.24Å; K538-W553 HydrophobicContact CG-CG 3.89Å
539	E	91.9	Very high	91.6	Very high	132 Å²	132	39.4 Å²	39.4	62%	0.617	18%	0.184	S	C	*	.	H	α-helix	trans	-69.9	-46.8	-178.2	-66.9	63.4	-137.3	0	0	110.6	T537 K542 K543	T537-E539 VanDerWaalsContact C-N 3.27Å; T537-E539 PolarHBondContact O-N 3.19Å; E539-K542 PolarHBondContact O-N 3.12Å; E539-K543 PolarHBondContact O-N 3.36Å; E539-K543 VanDerWaalsContact O-N 3.09Å
540	S	89.5	Confident	91.4	Very high	11 Å²	11	49.3 Å²	49.3	8%	0.077	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-41	177.7	61.6	0	0	0	0	111.4	A535 T537 K542 K543 I544 E584	A535-S540 WeakPolarHBondContact CB-OG 3.32Å; T537-S540 PolarHBondContact N-OG 2.81Å; T537-S540 VanDerWaalsContact N-OG 3.16Å; T537-S540 PolarHBondContact O-N 2.78Å; T537-S540 PolarHBondContact O-OG 3.32Å; T537-S540 WeakPolarHBondContact OG1-CB 3.3Å; T537-S540 PolarHBondContact OG1-N 2.89Å; T537-S540 PolarHBondContact OG1-OG 2.86Å; S540-K542 PolarHBondContact O-N 3.5Å; S540-K543 PolarHBondContact O-N 3.19Å; S540-I544 WeakPolarHBondContact O-CB 3.26Å; S540-I544 WeakPolarHBondContact O-CG1 3.3Å; S540-I544 PolarHBondContact O-N 2.93Å; S540-E584 VanDerWaalsContact CB-OE1 3.27Å; S540-E584 WeakPolarHBondContact CB-OE1 3.34Å; S540-E584 PolarHBondContact OG-OE1 2.95Å; S540-E584 PolarHBondContact OG-OE2 2.79Å
541	L	90.6	Very high	91.3	Very high	0 Å²	0	53 Å²	53	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61	-43.6	175.2	-169	70.7	0	0	0	111.7	A535 T537 K543 I544 D545 F552 W553 F556	A535-L541 VanDerWaalsContact CB-CA 3.42Å; A535-L541 HydrophobicContact CB-CB 3.9Å; A535-L541 HydrophobicContact CB-CD1 4Å; A535-L541 VanDerWaalsContact CB-N 3.25Å; T537-L541 VanDerWaalsContact O-CB 3.27Å; T537-L541 WeakPolarHBondContact O-CB 3.15Å; T537-L541 PolarHBondContact O-N 3.45Å; L541-K543 VanDerWaalsContact C-N 3.31Å; L541-K543 PolarHBondContact O-N 2.79Å; L541-I544 PolarHBondContact O-N 3.05Å; L541-D545 HydrophobicContact CD1-CB 4.06Å; L541-D545 HydrophobicContact CG-CB 4.39Å; L541-D545 WeakPolarHBondContact O-CB 3.22Å; L541-D545 PolarHBondContact O-N 3.02Å; L541-F552 HydrophobicContact CB-CE2 4.47Å; L541-F552 HydrophobicContact CD2-CD2 3.92Å; L541-F552 HydrophobicContact CD2-CE2 4.23Å; L541-F552 HydrophobicContact CG-CD2 4.49Å; L541-W553 HydrophobicContact CB-CE3 4.38Å; L541-W553 HydrophobicContact CB-CZ3 4.27Å; L541-W553 HydrophobicContact CD2-CE3 3.7Å; L541-W553 HydrophobicContact CD2-CZ3 3.95Å; L541-F556 HydrophobicContact CD2-CB 4.08Å; L541-F556 HydrophobicContact CD2-CD1 4.33Å; L541-F556 HydrophobicContact CD2-CD2 4.2Å; L541-F556 HydrophobicContact CD2-CG 3.94Å
542	K	91.7	Very high	91.3	Very high	134 Å²	134	53.6 Å²	53.6	58%	0.583	25%	0.249	S	C	*	.	H	α-helix	trans	-61.8	-39.9	177.1	-169.3	177	-179.4	-177.4	0	112.3	K538 E539 S540 R546 F552	K538-K542 WeakPolarHBondContact O-CB 3.22Å; K538-K542 PolarHBondContact O-N 3.36Å; E539-K542 PolarHBondContact O-N 3.12Å; S540-K542 PolarHBondContact O-N 3.5Å; K542-R546 WeakPolarHBondContact O-CA 3.37Å; K542-R546 PolarHBondContact O-N 3.11Å; K542-F552 HydrophobicContact CB-CE2 4.13Å; K542-F552 HydrophobicContact CB-CZ 3.76Å; K542-F552 HydrophobicContact CD-CE1 4.32Å; K542-F552 HydrophobicContact CD-CZ 4.17Å; K542-F552 HydrophobicContact CG-CE1 4.43Å; K542-F552 HydrophobicContact CG-CZ 4.11Å
543	K	88.3	Confident	91.4	Very high	154 Å²	154	55.1 Å²	55.1	67%	0.67	25%	0.252	S	S	*	.	H	α-helix	trans	-70.3	-43.9	-179.2	-174.9	-179.6	178.1	-174.6	0	111.9	V421 E539 S540 L541	V421-K543 WeakPolarHBondContact CG1-O 3.47Å; E539-K543 PolarHBondContact O-N 3.36Å; E539-K543 VanDerWaalsContact O-N 3.09Å; S540-K543 PolarHBondContact O-N 3.19Å; L541-K543 VanDerWaalsContact C-N 3.31Å; L541-K543 PolarHBondContact O-N 2.79Å
544	I	85.3	Confident	91.7	Very high	7 Å²	7	59.5 Å²	59.5	4%	0.036	27%	0.272	C	S	.	.	H	α-helix	trans	-83.3	-54.4	-173	-66.6	174.3	0	0	0	110.8	C420 V421 F422 D534 A535 S540 L541 W580	C420-I544 CarbonylContact C-O 3.55Å; C420-I544 VanDerWaalsContact CA-O 3.23Å; C420-I544 WeakPolarHBondContact CA-O 3.37Å; V421-I544 HydrophobicContact CG2-CB 4.4Å; V421-I544 HydrophobicContact CG2-CG2 4.06Å; V421-I544 WeakPolarHBondContact CG2-O 3.48Å; V421-I544 PolarHBondContact N-O 3.47Å; F422-I544 HydrophobicContact CD1-CG2 3.83Å; F422-I544 HydrophobicContact CE1-CG2 3.48Å; F422-I544 VanDerWaalsContact CE1-CG2 3.48Å; D534-I544 HydrophobicContact CB-CG2 4.25Å; A535-I544 HydrophobicContact CB-CD1 4.09Å; S540-I544 WeakPolarHBondContact O-CB 3.26Å; S540-I544 WeakPolarHBondContact O-CG1 3.3Å; S540-I544 PolarHBondContact O-N 2.93Å; L541-I544 PolarHBondContact O-N 3.05Å; I544-W580 HydrophobicContact CG1-CE3 4.44Å
545	D	87.4	Confident	92.2	Very high	1 Å²	1	62.3 Å²	62.3	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-86	-23.7	-172.1	-85.1	15.1	0	0	0	113.7	N418 K419 C420 L541	N418-D545 WeakPolarHBondContact CB-O 3.39Å; N418-D545 PolarHBondContact ND2-OD2 3.1Å; K419-D545 CarbonylContact C-O 3.58Å; K419-D545 VanDerWaalsContact C-O 3.25Å; K419-D545 PolarHBondContact N-O 3.19Å; C420-D545 WeakPolarHBondContact CA-O 3.23Å; C420-D545 PolarHBondContact N-O 3.01Å; C420-D545 VanDerWaalsContact N-O 3.15Å; L541-D545 HydrophobicContact CD1-CB 4.06Å; L541-D545 HydrophobicContact CG-CB 4.39Å; L541-D545 WeakPolarHBondContact O-CB 3.22Å; L541-D545 PolarHBondContact O-N 3.02Å
546	R	90	Very high	92.7	Very high	103 Å²	103	62.3 Å²	62.3	39%	0.389	28%	0.283	S	S	.	.			trans	45.9	57.2	-177.1	-55.5	-178.7	177.9	171.8	-1.6	111.7	K419 V421 K542	K419-R546 HydrophobicContact CB-CB 4.07Å; K419-R546 PolarHBondContact N-O 3.32Å; K419-R546 WeakPolarHBondContact O-CD 3.25Å; V421-R546 VanDerWaalsContact CG1-CZ 3.48Å; K542-R546 WeakPolarHBondContact O-CA 3.37Å; K542-R546 PolarHBondContact O-N 3.11Å
547	P	92.9	Very high	93.1	Very high	19 Å²	19	63.6 Å²	63.6	12%	0.123	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-64.8	149.5	-178.3	27.8	-34.1	0	0	0	111.5	N418 F552	N418-P547 WeakPolarHBondContact OD1-CA 3.43Å; N418-P547 WeakPolarHBondContact OD1-CB 3.37Å; P547-F552 HydrophobicContact CB-CB 3.59Å; P547-F552 HydrophobicContact CB-CD2 4.48Å; P547-F552 HydrophobicContact CB-CG 4.09Å; P547-F552 HydrophobicContact CG-CB 3.42Å; P547-F552 VanDerWaalsContact CG-CB 3.42Å; P547-F552 HydrophobicContact CG-CD1 3.94Å; P547-F552 HydrophobicContact CG-CD2 3.46Å; P547-F552 VanDerWaalsContact CG-CD2 3.46Å; P547-F552 HydrophobicContact CG-CE2 4.2Å; P547-F552 HydrophobicContact CG-CG 3.31Å
548	L	92.8	Very high	93.4	Very high	68 Å²	68	63.6 Å²	63.6	36%	0.356	29%	0.288	S	S	.	.	S	Bend	trans	-83.7	-24.6	-179.8	-61.8	171.3	0	0	0	113.1	A417 K419 V431 T433	A417-L548 WeakPolarHBondContact O-CB 3.34Å; A417-L548 WeakPolarHBondContact O-CG 3.49Å; A417-L548 PolarHBondContact O-N 3.44Å; K419-L548 HydrophobicContact CD-CD2 4.45Å; V431-L548 HydrophobicContact CB-CD1 3.84Å; V431-L548 HydrophobicContact CG2-CD1 4.42Å; T433-L548 HydrophobicContact CG2-CB 3.82Å
549	F	94.3	Very high	93.6	Very high	29 Å²	29	58.9 Å²	58.9	13%	0.127	27%	0.267	C	S	.	.			trans	-71.1	142.1	178.5	-71.7	-75	0	0	0	111.4	A417 T433 Q515 F516 F552	A417-F549 HydrophobicContact CB-CD2 4.2Å; A417-F549 HydrophobicContact CB-CE2 3.71Å; T433-F549 VanDerWaalsContact CB-CZ 3.45Å; T433-F549 HydrophobicContact CG2-CD1 3.99Å; T433-F549 HydrophobicContact CG2-CD2 4.21Å; T433-F549 HydrophobicContact CG2-CE1 3.72Å; T433-F549 HydrophobicContact CG2-CE2 3.96Å; T433-F549 HydrophobicContact CG2-CG 4.24Å; T433-F549 HydrophobicContact CG2-CZ 3.71Å; T433-F549 WeakPolarHBondContact O-CZ 3.16Å; Q515-F549 HydrophobicContact CB-CD2 3.91Å; Q515-F549 HydrophobicContact CB-CE2 3.88Å; Q515-F549 HydrophobicContact CG-CD2 4.34Å; F516-F549 HydrophobicContact CE1-CE2 4.37Å; F516-F549 HydrophobicContact CE1-CZ 4.13Å; F516-F549 HydrophobicContact CE2-CE2 4.47Å; F516-F549 HydrophobicContact CZ-CE2 4.09Å; F516-F549 HydrophobicContact CZ-CZ 4.23Å; F549-F552 HydrophobicContact CB-CB 4.21Å; F549-F552 WeakPolarHBondContact O-CB 3.24Å; F549-F552 WeakPolarHBondContact O-CD1 3.42Å
550	K	94.5	Very high	93.9	Very high	211 Å²	211	52.6 Å²	52.6	92%	0.917	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-34.1	174.6	-67.7	-176.8	-180	178.6	0	111.7	F552	K550-F552 VanDerWaalsContact C-N 3.31Å
551	D	96.4	Very high	94.3	Very high	78 Å²	78	56.7 Å²	56.7	42%	0.417	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91	18.7	178.3	61.5	-36.1	0	0	0	113.1	W553 Q554 R555	D551-W553 PolarHBondContact O-N 2.82Å; D551-Q554 PolarHBondContact O-N 3Å; D551-R555 PolarHBondContact O-N 2.98Å; D551-R555 VanDerWaalsContact O-N 3.07Å; D551-R555 IonicContact OD1-NE 3.91Å; D551-R555 PolarHBondContact OD1-NE 2.89Å; D551-R555 WeakPolarHBondContact OD2-CD 3.23Å; D551-R555 WeakPolarHBondContact OD2-CG 3.38Å; D551-R555 IonicContact OD2-CZ 3.02Å; D551-R555 IonicContact OD2-NE 2.76Å; D551-R555 PolarHBondContact OD2-NE 3.39Å
552	F	96.6	Very high	94.6	Very high	13 Å²	13	56.9 Å²	56.9	6%	0.057	26%	0.256	C	S	.	.	H	α-helix	trans	-49.1	-37.8	-171.9	68.5	-88.8	0	0	0	114.8	K538 L541 K542 P547 F549 K550 F556	K538-F552 HydrophobicContact CG-CE2 4.06Å; K538-F552 HydrophobicContact CG-CZ 3.79Å; L541-F552 HydrophobicContact CB-CE2 4.47Å; L541-F552 HydrophobicContact CD2-CD2 3.92Å; L541-F552 HydrophobicContact CD2-CE2 4.23Å; L541-F552 HydrophobicContact CG-CD2 4.49Å; K542-F552 HydrophobicContact CB-CE2 4.13Å; K542-F552 HydrophobicContact CB-CZ 3.76Å; K542-F552 HydrophobicContact CD-CE1 4.32Å; K542-F552 HydrophobicContact CD-CZ 4.17Å; K542-F552 HydrophobicContact CG-CE1 4.43Å; K542-F552 HydrophobicContact CG-CZ 4.11Å; P547-F552 HydrophobicContact CB-CB 3.59Å; P547-F552 HydrophobicContact CB-CD2 4.48Å; P547-F552 HydrophobicContact CB-CG 4.09Å; P547-F552 HydrophobicContact CG-CB 3.42Å; P547-F552 VanDerWaalsContact CG-CB 3.42Å; P547-F552 HydrophobicContact CG-CD1 3.94Å; P547-F552 HydrophobicContact CG-CD2 3.46Å; P547-F552 VanDerWaalsContact CG-CD2 3.46Å; P547-F552 HydrophobicContact CG-CE2 4.2Å; P547-F552 HydrophobicContact CG-CG 3.31Å; F549-F552 HydrophobicContact CB-CB 4.21Å; F549-F552 WeakPolarHBondContact O-CB 3.24Å; F549-F552 WeakPolarHBondContact O-CD1 3.42Å; K550-F552 VanDerWaalsContact C-N 3.31Å; F552-F556 VanDerWaalsContact O-CB 3.29Å; F552-F556 WeakPolarHBondContact O-CB 3.34Å; F552-F556 PolarHBondContact O-N 3.42Å
553	W	97.1	Very high	94.8	Very high	51 Å²	51	50.5 Å²	50.5	19%	0.193	23%	0.228	C	C	.	.	H	α-helix	trans	-71	-42.6	-179	-176.2	-113.6	0	0	0	112	S536 K538 L541 D551 R555 F556 L557 L591	S536-W553 WeakPolarHBondContact O-CH2 3.37Å; K538-W553 HydrophobicContact CB-CB 4.37Å; K538-W553 HydrophobicContact CB-CD2 3.71Å; K538-W553 HydrophobicContact CB-CE3 4.08Å; K538-W553 HydrophobicContact CB-CG 3.83Å; K538-W553 HydrophobicContact CD-CB 4.09Å; K538-W553 HydrophobicContact CD-CG 4.06Å; K538-W553 HydrophobicContact CG-CB 3.9Å; K538-W553 HydrophobicContact CG-CD2 4.24Å; K538-W553 HydrophobicContact CG-CG 3.89Å; L541-W553 HydrophobicContact CB-CE3 4.38Å; L541-W553 HydrophobicContact CB-CZ3 4.27Å; L541-W553 HydrophobicContact CD2-CE3 3.7Å; L541-W553 HydrophobicContact CD2-CZ3 3.95Å; D551-W553 PolarHBondContact O-N 2.82Å; W553-R555 VanDerWaalsContact C-N 3.34Å; W553-F556 AromaticContact CE3-CD1 3.95Å; W553-F556 HydrophobicContact CE3-CD1 3.95Å; W553-F556 HydrophobicContact CH2-CD1 4.16Å; W553-F556 HydrophobicContact CH2-CE1 4.18Å; W553-F556 AromaticContact CZ3-CD1 3.64Å; W553-F556 HydrophobicContact CZ3-CD1 3.64Å; W553-F556 AromaticContact CZ3-CE1 3.9Å; W553-F556 HydrophobicContact CZ3-CE1 3.9Å; W553-F556 WeakPolarHBondContact O-CB 3.31Å; W553-F556 PolarHBondContact O-N 2.74Å; W553-L557 HydrophobicContact CH2-CD2 4.47Å; W553-L557 HydrophobicContact CZ2-CD2 4Å; W553-L557 HydrophobicContact CZ2-CG 4.46Å; W553-L557 WeakPolarHBondContact O-CG 3.39Å; W553-L557 PolarHBondContact O-N 3.45Å; W553-L591 HydrophobicContact CH2-CD2 4.36Å
554	Q	97.9	Very high	95.2	Very high	93 Å²	93	45.4 Å²	45.4	44%	0.435	21%	0.214	S	C	.	.	H	α-helix	trans	-66.9	-41.2	177.5	-172.3	58.2	49.8	0	0	110.5	D551 F556 L557 D558	D551-Q554 PolarHBondContact O-N 3Å; Q554-F556 VanDerWaalsContact C-N 3.32Å; Q554-F556 PolarHBondContact O-N 3.43Å; Q554-L557 PolarHBondContact O-N 2.77Å; Q554-D558 PolarHBondContact NE2-OD1 3.15Å; Q554-D558 PolarHBondContact NE2-OD2 3.34Å; Q554-D558 WeakPolarHBondContact O-CB 3.47Å; Q554-D558 VanDerWaalsContact O-CG 3.24Å; Q554-D558 PolarHBondContact O-N 3.23Å
555	R	97.4	Very high	95.7	Very high	63 Å²	63	48.4 Å²	48.4	24%	0.238	24%	0.241	C	C	.	.	H	α-helix	trans	-57.3	-45.5	173	-74.1	-179.9	160.5	-94.4	-5.6	112.1	A514 Q515 P517 D551 W553 D558 S559	A514-R555 CarbonylContact O-C 3.55Å; Q515-R555 PolarHBondContact O-NH1 3.35Å; P517-R555 HydrophobicContact CG-CG 4.5Å; D551-R555 PolarHBondContact O-N 2.98Å; D551-R555 VanDerWaalsContact O-N 3.07Å; D551-R555 IonicContact OD1-NE 3.91Å; D551-R555 PolarHBondContact OD1-NE 2.89Å; D551-R555 WeakPolarHBondContact OD2-CD 3.23Å; D551-R555 WeakPolarHBondContact OD2-CG 3.38Å; D551-R555 IonicContact OD2-CZ 3.02Å; D551-R555 IonicContact OD2-NE 2.76Å; D551-R555 PolarHBondContact OD2-NE 3.39Å; W553-R555 VanDerWaalsContact C-N 3.34Å; R555-D558 PolarHBondContact O-N 3Å; R555-S559 WeakPolarHBondContact O-CB 3.49Å; R555-S559 PolarHBondContact O-N 3.33Å; R555-S559 PolarHBondContact O-OG 2.83Å
556	F	97.4	Very high	96.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-56.1	-54.4	175.5	176.7	-101.5	0	0	0	111.6	A514 V533 L541 F552 W553 Q554 D558 S559 L560 L591	A514-F556 HydrophobicContact CB-CD2 3.64Å; A514-F556 HydrophobicContact CB-CE2 4.1Å; A514-F556 VanDerWaalsContact O-CA 3.24Å; A514-F556 WeakPolarHBondContact O-CA 3.45Å; A514-F556 PolarHBondContact O-N 2.91Å; V533-F556 HydrophobicContact CB-CZ 4.47Å; V533-F556 HydrophobicContact CG1-CZ 3.96Å; V533-F556 HydrophobicContact CG2-CE2 4.36Å; V533-F556 HydrophobicContact CG2-CZ 4.19Å; L541-F556 HydrophobicContact CD2-CB 4.08Å; L541-F556 HydrophobicContact CD2-CD1 4.33Å; L541-F556 HydrophobicContact CD2-CD2 4.2Å; L541-F556 HydrophobicContact CD2-CG 3.94Å; F552-F556 VanDerWaalsContact O-CB 3.29Å; F552-F556 WeakPolarHBondContact O-CB 3.34Å; F552-F556 PolarHBondContact O-N 3.42Å; W553-F556 AromaticContact CE3-CD1 3.95Å; W553-F556 HydrophobicContact CE3-CD1 3.95Å; W553-F556 HydrophobicContact CH2-CD1 4.16Å; W553-F556 HydrophobicContact CH2-CE1 4.18Å; W553-F556 AromaticContact CZ3-CD1 3.64Å; W553-F556 HydrophobicContact CZ3-CD1 3.64Å; W553-F556 AromaticContact CZ3-CE1 3.9Å; W553-F556 HydrophobicContact CZ3-CE1 3.9Å; W553-F556 WeakPolarHBondContact O-CB 3.31Å; W553-F556 PolarHBondContact O-N 2.74Å; Q554-F556 VanDerWaalsContact C-N 3.32Å; Q554-F556 PolarHBondContact O-N 3.43Å; F556-D558 VanDerWaalsContact C-N 3.32Å; F556-D558 PolarHBondContact O-N 3.42Å; F556-S559 WeakPolarHBondContact O-CB 3.04Å; F556-S559 PolarHBondContact O-N 3.4Å; F556-S559 VanDerWaalsContact O-N 3.15Å; F556-L560 HydrophobicContact CD1-CD1 4.42Å; F556-L560 HydrophobicContact CE1-CD1 3.77Å; F556-L560 HydrophobicContact CE1-CG 4.32Å; F556-L560 HydrophobicContact CE2-CD2 4.24Å; F556-L560 HydrophobicContact CZ-CD1 3.93Å; F556-L560 HydrophobicContact CZ-CD2 4.17Å; F556-L560 HydrophobicContact CZ-CG 4.3Å; F556-L560 WeakPolarHBondContact O-CG 3.43Å; F556-L560 PolarHBondContact O-N 3.02Å; F556-L591 HydrophobicContact CE1-CD1 3.82Å; F556-L591 HydrophobicContact CE1-CD2 4.02Å; F556-L591 HydrophobicContact CZ-CD1 4.11Å
557	L	97.8	Very high	96.3	Very high	30 Å²	30	50.7 Å²	50.7	16%	0.157	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-40.2	178	-62.9	178.6	0	0	0	112.6	W553 Q554 S559 L560 K561 L591 L594	W553-L557 HydrophobicContact CH2-CD2 4.47Å; W553-L557 HydrophobicContact CZ2-CD2 4Å; W553-L557 HydrophobicContact CZ2-CG 4.46Å; W553-L557 WeakPolarHBondContact O-CG 3.39Å; W553-L557 PolarHBondContact O-N 3.45Å; Q554-L557 PolarHBondContact O-N 2.77Å; L557-S559 VanDerWaalsContact C-N 3.32Å; L557-L560 WeakPolarHBondContact O-CB 3.31Å; L557-L560 PolarHBondContact O-N 3.39Å; L557-K561 WeakPolarHBondContact O-CG 3.46Å; L557-K561 PolarHBondContact O-N 3.32Å; L557-L591 HydrophobicContact CD2-CD2 3.74Å; L557-L594 HydrophobicContact CB-CD2 4.1Å; L557-L594 HydrophobicContact CD2-CD2 3.6Å; L557-L594 HydrophobicContact CG-CD2 4.4Å
558	D	98.1	Very high	96.5	Very high	40 Å²	40	50.7 Å²	50.7	21%	0.214	25%	0.254	C	S	.	.	H	α-helix	trans	-70.6	-29.9	178.7	-70.2	-18.3	0	0	0	112.6	P517 Q554 R555 F556 K561 A562	P517-D558 HydrophobicContact CB-CB 3.96Å; P517-D558 HydrophobicContact CG-CB 4.32Å; Q554-D558 PolarHBondContact NE2-OD1 3.15Å; Q554-D558 PolarHBondContact NE2-OD2 3.34Å; Q554-D558 WeakPolarHBondContact O-CB 3.47Å; Q554-D558 VanDerWaalsContact O-CG 3.24Å; Q554-D558 PolarHBondContact O-N 3.23Å; R555-D558 PolarHBondContact O-N 3Å; F556-D558 VanDerWaalsContact C-N 3.32Å; F556-D558 PolarHBondContact O-N 3.42Å; D558-K561 IonicContact OD1-NZ 2.59Å; D558-K561 PolarHBondContact OD1-NZ 3.23Å; D558-A562 VanDerWaalsContact O-CB 3.29Å; D558-A562 WeakPolarHBondContact O-CB 3.01Å; D558-A562 PolarHBondContact O-N 3.15Å
559	S	97.9	Very high	96.7	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-67.4	-39.2	170.5	-80.9	0	0	0	0	111.3	A514 P517 I520 R555 F556 L557 A562 L563	A514-S559 PolarHBondContact O-OG 2.87Å; P517-S559 WeakPolarHBondContact CA-OG 3.27Å; I520-S559 WeakPolarHBondContact CD1-OG 3.26Å; R555-S559 WeakPolarHBondContact O-CB 3.49Å; R555-S559 PolarHBondContact O-N 3.33Å; R555-S559 PolarHBondContact O-OG 2.83Å; F556-S559 WeakPolarHBondContact O-CB 3.04Å; F556-S559 PolarHBondContact O-N 3.4Å; F556-S559 VanDerWaalsContact O-N 3.15Å; L557-S559 VanDerWaalsContact C-N 3.32Å; S559-A562 PolarHBondContact O-N 3.29Å; S559-L563 WeakPolarHBondContact O-CB 3.35Å; S559-L563 PolarHBondContact O-N 3.49Å
560	L	97.9	Very high	96.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-63.6	-43.5	174	-59.8	-166.2	0	0	0	111.8	V531 V533 F556 L557 L563 A564 Y572 L591 L594 G595	V531-L560 HydrophobicContact CG1-CD2 3.75Å; V533-L560 HydrophobicContact CG2-CD2 4.35Å; F556-L560 HydrophobicContact CD1-CD1 4.42Å; F556-L560 HydrophobicContact CE1-CD1 3.77Å; F556-L560 HydrophobicContact CE1-CG 4.32Å; F556-L560 HydrophobicContact CE2-CD2 4.24Å; F556-L560 HydrophobicContact CZ-CD1 3.93Å; F556-L560 HydrophobicContact CZ-CD2 4.17Å; F556-L560 HydrophobicContact CZ-CG 4.3Å; F556-L560 WeakPolarHBondContact O-CG 3.43Å; F556-L560 PolarHBondContact O-N 3.02Å; L557-L560 WeakPolarHBondContact O-CB 3.31Å; L557-L560 PolarHBondContact O-N 3.39Å; L560-L563 WeakPolarHBondContact O-CB 3.26Å; L560-L563 PolarHBondContact O-N 2.9Å; L560-A564 PolarHBondContact O-N 3.18Å; L560-Y572 WeakPolarHBondContact CB-OH 3.16Å; L560-Y572 WeakPolarHBondContact CD1-OH 3.5Å; L560-Y572 HydrophobicContact CD2-CE1 3.76Å; L560-Y572 WeakPolarHBondContact CD2-OH 3.41Å; L560-L591 HydrophobicContact CD1-CB 4.07Å; L560-L591 HydrophobicContact CD1-CD2 3.89Å; L560-L591 HydrophobicContact CD1-CG 4.41Å; L560-L594 HydrophobicContact CB-CD2 4.31Å; L560-L594 HydrophobicContact CD1-CD2 4.35Å; L560-G595 WeakPolarHBondContact O-CA 3.42Å
561	K	97.8	Very high	97.1	Very high	96 Å²	96	36.3 Å²	36.3	42%	0.417	19%	0.188	S	C	.	.	H	α-helix	trans	-63.9	-40.2	173.8	-66.3	171.6	-170.2	165.1	0	112.2	L557 D558 L563 A564 A565 L594	L557-K561 WeakPolarHBondContact O-CG 3.46Å; L557-K561 PolarHBondContact O-N 3.32Å; D558-K561 IonicContact OD1-NZ 2.59Å; D558-K561 PolarHBondContact OD1-NZ 3.23Å; K561-L563 VanDerWaalsContact C-N 3.27Å; K561-L563 PolarHBondContact O-N 2.97Å; K561-A564 WeakPolarHBondContact O-CB 3.46Å; K561-A564 PolarHBondContact O-N 2.99Å; K561-A565 PolarHBondContact O-N 3.08Å; K561-L594 HydrophobicContact CD-CD1 4.44Å; K561-L594 HydrophobicContact CG-CD1 3.91Å; K561-L594 HydrophobicContact CG-CG 4.2Å
562	A	97.4	Very high	97.2	Very high	4 Å²	4	32.7 Å²	32.7	3%	0.033	17%	0.169	C	C	.	.	H	α-helix	trans	-65	-33.8	176.2	0	0	0	0	0	111.9	I520 R521 D558 S559	I520-A562 HydrophobicContact CB-CB 4.09Å; I520-A562 HydrophobicContact CG2-CB 3.65Å; R521-A562 HydrophobicContact CG-CB 3.66Å; D558-A562 VanDerWaalsContact O-CB 3.29Å; D558-A562 WeakPolarHBondContact O-CB 3.01Å; D558-A562 PolarHBondContact O-N 3.15Å; S559-A562 PolarHBondContact O-N 3.29Å
563	L	95.7	Very high	97.2	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-65	-46.2	172.8	-168	74.2	0	0	0	111.1	L529 V531 S559 L560 K561 A565 K566 T570 Y572	L529-L563 HydrophobicContact CB-CD1 4.14Å; L529-L563 HydrophobicContact CD2-CD1 3.42Å; L529-L563 VanDerWaalsContact CD2-CD1 3.42Å; L529-L563 HydrophobicContact CG-CD1 3.56Å; V531-L563 HydrophobicContact CB-CD2 4.31Å; V531-L563 HydrophobicContact CG2-CD1 4.06Å; V531-L563 HydrophobicContact CG2-CD2 3.88Å; V531-L563 HydrophobicContact CG2-CG 4.38Å; S559-L563 WeakPolarHBondContact O-CB 3.35Å; S559-L563 PolarHBondContact O-N 3.49Å; L560-L563 WeakPolarHBondContact O-CB 3.26Å; L560-L563 PolarHBondContact O-N 2.9Å; K561-L563 VanDerWaalsContact C-N 3.27Å; K561-L563 PolarHBondContact O-N 2.97Å; L563-A565 PolarHBondContact O-N 3.42Å; L563-A565 VanDerWaalsContact O-N 3.15Å; L563-K566 VanDerWaalsContact O-CB 3.27Å; L563-K566 WeakPolarHBondContact O-CB 3.34Å; L563-K566 PolarHBondContact O-N 3.43Å; L563-T570 HydrophobicContact CD1-CG2 3.64Å; L563-T570 HydrophobicContact CD2-CG2 4.35Å; L563-T570 HydrophobicContact CG-CG2 3.62Å; L563-Y572 HydrophobicContact CD2-CD1 3.79Å; L563-Y572 HydrophobicContact CD2-CE1 3.41Å; L563-Y572 VanDerWaalsContact CD2-CE1 3.41Å
564	A	95.8	Very high	97	Very high	47 Å²	47	31.3 Å²	31.3	39%	0.388	16%	0.163	S	C	.	.	H	α-helix	trans	-56.3	-31.8	178.9	0	0	0	0	0	113.7	L560 K561 K566 G595	L560-A564 PolarHBondContact O-N 3.18Å; K561-A564 WeakPolarHBondContact O-CB 3.46Å; K561-A564 PolarHBondContact O-N 2.99Å; A564-K566 VanDerWaalsContact C-N 3.25Å; A564-K566 PolarHBondContact O-N 2.95Å; A564-G595 VanDerWaalsContact CA-O 3.29Å; A564-G595 WeakPolarHBondContact CA-O 3.12Å; A564-G595 WeakPolarHBondContact CB-O 3.49Å
565	A	96.2	Very high	96.5	Very high	71 Å²	71	28 Å²	28	59%	0.587	15%	0.15	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-10.2	178.9	0	0	0	0	0	113.5	K561 L563	K561-A565 PolarHBondContact O-N 3.08Å; L563-A565 PolarHBondContact O-N 3.42Å; L563-A565 VanDerWaalsContact O-N 3.15Å
566	K	96.1	Very high	96	Very high	37 Å²	37	25.3 Å²	25.3	16%	0.161	14%	0.14	C	C	.	.			trans	-73.9	141.4	178.4	-65.2	-60.6	-174.5	-177	0	111	I520 R521 L523 L529 L563 A564 T570	I520-K566 WeakPolarHBondContact O-CE 3.41Å; I520-K566 PolarHBondContact O-NZ 3.1Å; R521-K566 PolarHBondContact O-NZ 3.45Å; L523-K566 PolarHBondContact O-NZ 3.12Å; L529-K566 HydrophobicContact CD2-CG 4.26Å; L563-K566 VanDerWaalsContact O-CB 3.27Å; L563-K566 WeakPolarHBondContact O-CB 3.34Å; L563-K566 PolarHBondContact O-N 3.43Å; A564-K566 VanDerWaalsContact C-N 3.25Å; A564-K566 PolarHBondContact O-N 2.95Å; K566-T570 HydrophobicContact CB-CG2 3.94Å
567	Q	95.1	Very high	95.2	Very high	115 Å²	115	25.5 Å²	25.5	54%	0.537	14%	0.141	S	C	.	.	S	Bend	trans	-87.7	-27.5	175.2	-61.8	-60.9	-47.7	0	0	111.7	F691 S692 A693	Q567-F691 WeakPolarHBondContact CB-O 3.33Å; Q567-S692 CarbonylContact O-C 3.25Å; Q567-S692 WeakPolarHBondContact O-CA 3.25Å; Q567-A693 PolarHBondContact O-N 3.13Å
568	Q	95.9	Very high	94.4	Very high	19 Å²	19	27.7 Å²	27.7	9%	0.089	15%	0.149	C	C	.	.	S	Bend	trans	-76.6	169	177.4	-67.7	72.6	54.2	0	0	111.5	P525 V526 T570 F691	P525-Q568 HydrophobicContact CB-CG 3.88Å; V526-Q568 WeakPolarHBondContact O-CB 2.94Å; V526-Q568 WeakPolarHBondContact O-CG 3.39Å; Q568-T570 WeakPolarHBondContact O-CG2 3.48Å; Q568-T570 PolarHBondContact O-N 3.42Å; Q568-F691 HydrophobicContact CG-CE2 3.87Å; Q568-F691 HydrophobicContact CG-CZ 4.11Å; Q568-F691 PolarHBondContact NE2-O 3.11Å
569	R	98.3	Very high	93.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	131.5	-175.5	-68.7	167.8	75.4	96.9	-2	112.1	Q528 L529 D598 F599 T668 A693 Y696	Q528-R569 CarbonylContact C-O 3.59Å; Q528-R569 WeakPolarHBondContact CA-O 3.3Å; Q528-R569 HydrophobicContact CB-CB 4.16Å; Q528-R569 HydrophobicContact CG-CB 3.87Å; L529-R569 PolarHBondContact N-O 3.12Å; R569-D598 VanDerWaalsContact CA-OD2 3.24Å; R569-D598 WeakPolarHBondContact CA-OD2 3.49Å; R569-F599 HydrophobicContact CB-CE2 4.49Å; R569-F599 HydrophobicContact CG-CE2 4.36Å; R569-F599 VanDerWaalsContact CZ-CZ 3.4Å; R569-T668 PolarHBondContact NH2-O 3.37Å; R569-A693 HydrophobicContact CB-CB 4.39Å; R569-A693 HydrophobicContact CG-CB 3.52Å; R569-Y696 HydrophobicContact CG-CE2 3.94Å; R569-Y696 VanDerWaalsContact CG-OH 3.31Å; R569-Y696 WeakPolarHBondContact CG-OH 3.4Å; R569-Y696 PolarHBondContact N-OH 2.93Å; R569-Y696 VanDerWaalsContact N-OH 3.11Å
570	T	98.5	Very high	92.1	Very high	5 Å²	5	32.4 Å²	32.4	3%	0.031	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	139.8	-176.6	54.4	0	0	0	0	111.2	L529 L563 K566 Q568 P597 D598 F599	L529-T570 CarbonylContact O-C 3.57Å; L529-T570 WeakPolarHBondContact O-CA 3.31Å; L563-T570 HydrophobicContact CD1-CG2 3.64Å; L563-T570 HydrophobicContact CD2-CG2 4.35Å; L563-T570 HydrophobicContact CG-CG2 3.62Å; K566-T570 HydrophobicContact CB-CG2 3.94Å; Q568-T570 WeakPolarHBondContact O-CG2 3.48Å; Q568-T570 PolarHBondContact O-N 3.42Å; T570-P597 WeakPolarHBondContact OG1-CA 3.36Å; T570-D598 PolarHBondContact N-OD2 2.92Å; T570-D598 WeakPolarHBondContact O-CB 3.49Å; T570-D598 PolarHBondContact O-N 3.46Å; T570-D598 VanDerWaalsContact O-N 3.09Å; T570-D598 PolarHBondContact OG1-N 3.35Å; T570-D598 PolarHBondContact OG1-OD2 2.92Å; T570-F599 PolarHBondContact O-N 3.01Å; T570-F599 VanDerWaalsContact O-N 3.11Å
571	V	98.6	Very high	90.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	132.2	-174.9	-173.5	0	0	0	0	110.7	Q528 L529 Y530 V531 F599 E601	Q528-V571 HydrophobicContact CG-CG2 3.48Å; Q528-V571 VanDerWaalsContact CG-CG2 3.48Å; L529-V571 PolarHBondContact O-N 2.72Å; Y530-V571 CarbonylContact C-O 3.59Å; Y530-V571 WeakPolarHBondContact CA-O 3.46Å; Y530-V571 HydrophobicContact CD1-CB 3.5Å; Y530-V571 HydrophobicContact CD1-CG1 3.55Å; Y530-V571 HydrophobicContact CD1-CG2 4.03Å; Y530-V571 HydrophobicContact CE1-CB 3.85Å; Y530-V571 HydrophobicContact CE1-CG1 3.75Å; Y530-V571 HydrophobicContact CE1-CG2 3.91Å; Y530-V571 HydrophobicContact CG-CB 4.03Å; V531-V571 PolarHBondContact N-O 2.87Å; V571-F599 VanDerWaalsContact CA-O 3.31Å; V571-F599 WeakPolarHBondContact CA-O 3.27Å; V571-F599 HydrophobicContact CG1-CB 4.29Å; V571-F599 HydrophobicContact CG2-CB 4.14Å; V571-F599 HydrophobicContact CG2-CD2 4.12Å; V571-E601 HydrophobicContact CG1-CB 4.43Å; V571-E601 HydrophobicContact CG1-CG 3.74Å
572	Y	98.1	Very high	89.4	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.008	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	128.5	159.7	-74.3	1	0	0	0	109.4	V531 V533 L560 L563 L591 V592 G595 P597 F599 I600 E601	V531-Y572 HydrophobicContact CB-CD1 4.35Å; V533-Y572 HydrophobicContact CG2-CD1 4.08Å; V533-Y572 HydrophobicContact CG2-CD2 4.05Å; V533-Y572 HydrophobicContact CG2-CE1 4.47Å; V533-Y572 HydrophobicContact CG2-CE2 4.46Å; V533-Y572 HydrophobicContact CG2-CG 3.86Å; L560-Y572 WeakPolarHBondContact CB-OH 3.16Å; L560-Y572 WeakPolarHBondContact CD1-OH 3.5Å; L560-Y572 HydrophobicContact CD2-CE1 3.76Å; L560-Y572 WeakPolarHBondContact CD2-OH 3.41Å; L563-Y572 HydrophobicContact CD2-CD1 3.79Å; L563-Y572 HydrophobicContact CD2-CE1 3.41Å; L563-Y572 VanDerWaalsContact CD2-CE1 3.41Å; Y572-L591 PolarHBondContact OH-O 3.49Å; Y572-V592 HydrophobicContact CD2-CG2 4.29Å; Y572-V592 HydrophobicContact CE2-CG2 4.44Å; Y572-G595 WeakPolarHBondContact OH-CA 3.28Å; Y572-P597 HydrophobicContact CD1-CB 3.86Å; Y572-P597 HydrophobicContact CD1-CG 4.02Å; Y572-P597 HydrophobicContact CD2-CB 4.47Å; Y572-P597 HydrophobicContact CD2-CG 3.72Å; Y572-P597 HydrophobicContact CE1-CB 4.1Å; Y572-P597 HydrophobicContact CE1-CG 4.2Å; Y572-P597 HydrophobicContact CE2-CG 3.9Å; Y572-P597 HydrophobicContact CG-CB 4.06Å; Y572-P597 HydrophobicContact CG-CG 3.76Å; Y572-F599 PolarHBondContact N-O 3.44Å; Y572-I600 CarbonylContact O-C 3.47Å; Y572-I600 WeakPolarHBondContact O-CA 3.41Å; Y572-E601 PolarHBondContact O-N 2.86Å
573	R	96.2	Very high	88.3	Confident	31 Å²	31	36.7 Å²	36.7	12%	0.117	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	113.8	170.4	179.2	176.3	-69.2	144.1	11.2	109.2	Y395 Y530 V531 V533 E601	Y395-R573 PolarHBondContact OH-NE 3.09Å; Y395-R573 PolarHBondContact OH-NH2 2.89Å; Y530-R573 VanDerWaalsContact CD1-NH2 3.25Å; V531-R573 PolarHBondContact O-N 3.31Å; V533-R573 PolarHBondContact N-O 2.85Å; R573-E601 IonicContact CZ-OE2 3.34Å; R573-E601 VanDerWaalsContact CZ-OE2 3.24Å; R573-E601 IonicContact NE-OE2 3Å; R573-E601 PolarHBondContact NE-OE2 2.97Å; R573-E601 IonicContact NH2-OE1 3.3Å; R573-E601 IonicContact NH2-OE2 2.79Å; R573-E601 PolarHBondContact NH2-OE2 2.96Å
574	L	92.7	Very high	87.6	Confident	4 Å²	4	38.6 Å²	38.6	2%	0.021	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	125.7	177.8	-71.8	65.6	0	0	0	108.4	V533 Y588 I600 E601 V602 K603 L634	V533-L574 HydrophobicContact CB-CD1 4.24Å; V533-L574 HydrophobicContact CB-CG 4.43Å; L574-Y588 HydrophobicContact CD2-CD1 3.59Å; L574-Y588 HydrophobicContact CD2-CE1 3.74Å; L574-Y588 HydrophobicContact CD2-CG 4.24Å; L574-Y588 HydrophobicContact CG-CD1 4.24Å; L574-Y588 HydrophobicContact CG-CE1 4.02Å; L574-I600 HydrophobicContact CD1-CG2 3.37Å; L574-I600 HydrophobicContact CD2-CG2 4.23Å; L574-I600 HydrophobicContact CG-CG2 4.4Å; L574-E601 PolarHBondContact N-O 3.41Å; L574-V602 HydrophobicContact CB-CG2 4.47Å; L574-V602 HydrophobicContact CD2-CG2 4.41Å; L574-K603 PolarHBondContact O-N 3.17Å; L574-L634 HydrophobicContact CD2-CD2 4.42Å
575	T	88	Confident	87.2	Confident	25 Å²	25	37.7 Å²	37.7	15%	0.153	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	105.2	171.5	-51.4	0	0	0	0	108.8	D534 V577 N581 K603 V605	D534-T575 WeakPolarHBondContact OD1-CB 3.43Å; D534-T575 PolarHBondContact OD1-OG1 3.12Å; T575-V577 HydrophobicContact CG2-CG2 4.49Å; T575-V577 PolarHBondContact O-N 2.85Å; T575-N581 PolarHBondContact O-ND2 3.48Å; T575-K603 CarbonylContact C-O 3.54Å; T575-K603 WeakPolarHBondContact CA-O 3.45Å; T575-V605 HydrophobicContact CG2-CB 4.03Å; T575-V605 HydrophobicContact CG2-CG2 4.17Å
576	L	85.8	Confident	87	Confident	6 Å²	6	39.9 Å²	39.9	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	121.7	179.8	-166.5	71.4	0	0	0	110.3	V582 V602 K603 V605 P622 V627 F630	L576-V582 HydrophobicContact CD1-CG2 4.04Å; L576-V582 HydrophobicContact CG-CG2 4.4Å; L576-V602 HydrophobicContact CB-CG1 4.48Å; L576-K603 PolarHBondContact N-O 3.01Å; L576-V605 WeakPolarHBondContact O-CB 3.28Å; L576-V605 PolarHBondContact O-N 2.8Å; L576-P622 HydrophobicContact CD2-CB 4.36Å; L576-P622 HydrophobicContact CD2-CG 4.28Å; L576-V627 HydrophobicContact CD2-CB 4.46Å; L576-V627 HydrophobicContact CD2-CG1 4.47Å; L576-V627 HydrophobicContact CD2-CG2 4Å; L576-F630 HydrophobicContact CD1-CD1 4.06Å; L576-F630 HydrophobicContact CD1-CD2 3.92Å; L576-F630 HydrophobicContact CD1-CE1 4.06Å; L576-F630 HydrophobicContact CD1-CE2 3.9Å; L576-F630 HydrophobicContact CD1-CG 3.99Å; L576-F630 HydrophobicContact CD1-CZ 3.97Å; L576-F630 HydrophobicContact CD2-CB 4.15Å; L576-F630 HydrophobicContact CD2-CD1 4.38Å; L576-F630 HydrophobicContact CD2-CG 4.16Å
577	V	81.3	Confident	86.8	Confident	4 Å²	4	39 Å²	39	2%	0.024	20%	0.204	C	C	.	.			trans	-119.8	116.4	176.2	-176.9	0	0	0	0	107.7	T575 A579 W580 N581 V605 L616 H620	T575-V577 HydrophobicContact CG2-CG2 4.49Å; T575-V577 PolarHBondContact O-N 2.85Å; V577-A579 PolarHBondContact O-N 2.71Å; V577-W580 HydrophobicContact CB-CB 4.03Å; V577-W580 HydrophobicContact CB-CD2 4.41Å; V577-W580 HydrophobicContact CB-CE3 4.28Å; V577-W580 HydrophobicContact CB-CG 4.35Å; V577-W580 HydrophobicContact CG1-CB 3.96Å; V577-W580 HydrophobicContact CG1-CD2 3.61Å; V577-W580 HydrophobicContact CG1-CE3 3.71Å; V577-W580 HydrophobicContact CG1-CG 3.74Å; V577-W580 HydrophobicContact CG1-CZ3 4.34Å; V577-W580 HydrophobicContact CG2-CE3 4.49Å; V577-W580 PolarHBondContact O-N 3.31Å; V577-W580 VanDerWaalsContact O-N 3.08Å; V577-N581 PolarHBondContact N-OD1 2.91Å; V577-N581 PolarHBondContact O-N 3.47Å; V577-N581 PolarHBondContact O-OD1 3.01Å; V577-N581 VanDerWaalsContact O-OD1 3.07Å; V577-V605 HydrophobicContact CB-CG1 4.37Å; V577-V605 HydrophobicContact CG1-CG1 4.32Å; V577-V605 HydrophobicContact CG2-CB 3.85Å; V577-V605 HydrophobicContact CG2-CG1 4.04Å; V577-V605 HydrophobicContact CG2-CG2 4.11Å; V577-L616 HydrophobicContact CG1-CD1 3.65Å; V577-H620 HydrophobicContact CG1-CB 4.05Å
578	K	80.8	Confident	86.8	Confident	75 Å²	75	33.7 Å²	33.7	33%	0.326	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	136.3	-177.7	-176.8	171	177.9	165.1	0	110.2	W580 H620 E626	K578-W580 PolarHBondContact O-N 3.47Å; K578-H620 VanDerWaalsContact CB-O 3.31Å; K578-H620 WeakPolarHBondContact CB-O 3.38Å; K578-H620 PolarHBondContact N-O 2.84Å; K578-H620 PolarHBondContact O-CD2 2.68Å; K578-E626 WeakPolarHBondContact CE-OE1 3.36Å; K578-E626 IonicContact NZ-OE1 3.01Å; K578-E626 PolarHBondContact NZ-OE1 3.13Å; K578-E626 IonicContact NZ-OE2 2.71Å
579	A	76.6	Confident	86.8	Confident	75 Å²	75	32.9 Å²	32.9	62%	0.62	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.8	4	-177.4	0	0	0	0	0	117	V577	V577-A579 PolarHBondContact O-N 2.71Å
580	W	72.6	Confident	86.7	Confident	64 Å²	64	39 Å²	39	24%	0.242	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.1	-42.4	178.5	-70.9	16.8	0	0	0	113.3	V421 I544 V577 K578 L616 H620	V421-W580 HydrophobicContact CG2-CH2 4.27Å; V421-W580 HydrophobicContact CG2-CZ3 3.61Å; I544-W580 HydrophobicContact CG1-CE3 4.44Å; V577-W580 HydrophobicContact CB-CB 4.03Å; V577-W580 HydrophobicContact CB-CD2 4.41Å; V577-W580 HydrophobicContact CB-CE3 4.28Å; V577-W580 HydrophobicContact CB-CG 4.35Å; V577-W580 HydrophobicContact CG1-CB 3.96Å; V577-W580 HydrophobicContact CG1-CD2 3.61Å; V577-W580 HydrophobicContact CG1-CE3 3.71Å; V577-W580 HydrophobicContact CG1-CG 3.74Å; V577-W580 HydrophobicContact CG1-CZ3 4.34Å; V577-W580 HydrophobicContact CG2-CE3 4.49Å; V577-W580 PolarHBondContact O-N 3.31Å; V577-W580 VanDerWaalsContact O-N 3.08Å; K578-W580 PolarHBondContact O-N 3.47Å; W580-L616 HydrophobicContact CH2-CB 4.31Å; W580-L616 HydrophobicContact CH2-CD1 4.24Å; W580-L616 HydrophobicContact CZ2-CD1 4.46Å; W580-H620 AromaticContact CD1-CD2 3.78Å; W580-H620 AromaticContact CE2-CD2 3.89Å; W580-H620 AromaticContact CE2-NE2 3.95Å; W580-H620 AromaticContact NE1-CD2 3.22Å; W580-H620 PolarHBondContact NE1-CD2 3.21Å; W580-H620 AromaticContact NE1-NE2 3.18Å; W580-H620 PolarHBondContact NE1-NE2 3.4Å; W580-H620 VanDerWaalsContact NE1-NE2 3.18Å
581	N	71.9	Confident	86.6	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.3	9.2	-176.3	61.4	0	0	0	0	114	D534 T575 V577 Y588	D534-N581 PolarHBondContact O-ND2 3.24Å; T575-N581 PolarHBondContact O-ND2 3.48Å; V577-N581 PolarHBondContact N-OD1 2.91Å; V577-N581 PolarHBondContact O-N 3.47Å; V577-N581 PolarHBondContact O-OD1 3.01Å; V577-N581 VanDerWaalsContact O-OD1 3.07Å; N581-Y588 HydrophobicContact CB-CE2 4.32Å; N581-Y588 WeakPolarHBondContact CB-OH 3.33Å; N581-Y588 PolarHBondContact ND2-OH 2.78Å; N581-Y588 WeakPolarHBondContact O-CE2 3.45Å
582	V	66.2	Low	86.5	Confident	43 Å²	43	39.3 Å²	39.3	26%	0.261	21%	0.206	S	C	.	.	G	3₁₀ helix	trans	-71.8	-32.6	-179.4	-170.4	0	0	0	0	111.7	L576 E584 F630	L576-V582 HydrophobicContact CD1-CG2 4.04Å; L576-V582 HydrophobicContact CG-CG2 4.4Å; V582-E584 VanDerWaalsContact C-N 3.26Å; V582-E584 PolarHBondContact O-N 3.25Å; V582-F630 HydrophobicContact CG1-CD2 4.07Å
583	D	73.3	Confident	86.4	Confident	147 Å²	147	44.7 Å²	44.7	79%	0.786	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-81.3	-0.7	-174.1	-54.6	-41.4	0	0	0	113.7
584	E	81.5	Confident	86.4	Confident	39 Å²	39	46.2 Å²	46.2	18%	0.182	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-102.6	27.2	-173.1	-46.8	-174.6	144.3	0	0	114.1	S536 T537 S540 V582 Q586 A587 Y588	S536-E584 PolarHBondContact N-OE2 3.35Å; S536-E584 VanDerWaalsContact N-OE2 3.16Å; S536-E584 WeakPolarHBondContact OG-CB 3.28Å; S536-E584 VanDerWaalsContact OG-CD 3.26Å; S536-E584 PolarHBondContact OG-OE2 2.87Å; T537-E584 PolarHBondContact OG1-OE1 2.88Å; T537-E584 VanDerWaalsContact OG1-OE1 3.07Å; S540-E584 VanDerWaalsContact CB-OE1 3.27Å; S540-E584 WeakPolarHBondContact CB-OE1 3.34Å; S540-E584 PolarHBondContact OG-OE1 2.95Å; S540-E584 PolarHBondContact OG-OE2 2.79Å; V582-E584 VanDerWaalsContact C-N 3.26Å; V582-E584 PolarHBondContact O-N 3.25Å; E584-Q586 VanDerWaalsContact C-N 3.34Å; E584-Q586 PolarHBondContact O-N 3.45Å; E584-A587 HydrophobicContact CB-CB 4.48Å; E584-A587 PolarHBondContact O-N 2.95Å; E584-A587 VanDerWaalsContact O-N 3.08Å; E584-Y588 HydrophobicContact CB-CD2 4.33Å; E584-Y588 HydrophobicContact CB-CE2 4.27Å; E584-Y588 WeakPolarHBondContact O-CD2 3.24Å; E584-Y588 PolarHBondContact O-N 3.31Å
585	L	88.2	Confident	86.5	Confident	29 Å²	29	46 Å²	46	15%	0.152	24%	0.238	C	C	.	.	H	α-helix	trans	-49.2	-47.4	-176.3	-83.3	156.6	0	0	0	114.2	A587 Y588 A589 F630 E633 L634 L637	L585-A587 VanDerWaalsContact C-N 3.3Å; L585-A587 PolarHBondContact O-N 3.02Å; L585-Y588 PolarHBondContact O-N 3.44Å; L585-A589 PolarHBondContact O-N 2.94Å; L585-F630 HydrophobicContact CD2-CD2 3.87Å; L585-F630 HydrophobicContact CD2-CE2 3.62Å; L585-F630 HydrophobicContact CD2-CZ 4.06Å; L585-F630 HydrophobicContact CG-CD2 4.2Å; L585-F630 HydrophobicContact CG-CE2 3.87Å; L585-E633 HydrophobicContact CD1-CB 3.96Å; L585-E633 VanDerWaalsContact CD1-OE2 3.27Å; L585-E633 WeakPolarHBondContact CD1-OE2 3.3Å; L585-E633 HydrophobicContact CD2-CB 4.15Å; L585-L634 HydrophobicContact CD2-CB 3.77Å; L585-L634 HydrophobicContact CD2-CD1 4.39Å; L585-L637 HydrophobicContact CB-CD1 4.08Å
586	Q	90.9	Very high	86.9	Confident	116 Å²	116	48.3 Å²	48.3	54%	0.542	25%	0.25	S	C	.	.	H	α-helix	trans	-63.8	-36.7	-177.8	-151.6	71.5	23.1	0	0	112.2	E584 A589 Q590	E584-Q586 VanDerWaalsContact C-N 3.34Å; E584-Q586 PolarHBondContact O-N 3.45Å; Q586-A589 PolarHBondContact O-N 3.29Å; Q586-Q590 WeakPolarHBondContact O-CG 3.44Å; Q586-Q590 PolarHBondContact O-N 3.09Å; Q586-Q590 VanDerWaalsContact O-N 3.1Å
587	A	92.6	Very high	87.5	Confident	19 Å²	19	48 Å²	48	16%	0.157	25%	0.248	C	C	.	.	H	α-helix	trans	-72.4	-38.7	178.2	0	0	0	0	0	110.9	S536 T537 E584 L585 A589 Q590 L591	S536-A587 VanDerWaalsContact OG-CB 3.23Å; S536-A587 WeakPolarHBondContact OG-CB 3.31Å; T537-A587 HydrophobicContact CG2-CB 4.14Å; E584-A587 HydrophobicContact CB-CB 4.48Å; E584-A587 PolarHBondContact O-N 2.95Å; E584-A587 VanDerWaalsContact O-N 3.08Å; L585-A587 VanDerWaalsContact C-N 3.3Å; L585-A587 PolarHBondContact O-N 3.02Å; A587-A589 VanDerWaalsContact C-N 3.35Å; A587-A589 PolarHBondContact O-N 3.08Å; A587-Q590 WeakPolarHBondContact O-CB 3.25Å; A587-Q590 PolarHBondContact O-N 3.46Å; A587-L591 WeakPolarHBondContact O-CG 3.42Å; A587-L591 PolarHBondContact O-N 3.2Å
588	Y	94.8	Very high	88.3	Confident	4 Å²	4	48.1 Å²	48.1	2%	0.016	25%	0.249	C	C	.	.	H	α-helix	trans	-58.9	-45.4	170.3	-80.7	-69.3	0	0	0	112	V533 D534 L574 N581 E584 L585 Q590 L591 V592 F630	V533-Y588 HydrophobicContact CG1-CD1 4.25Å; V533-Y588 HydrophobicContact CG1-CE1 3.99Å; D534-Y588 PolarHBondContact O-OH 3.37Å; L574-Y588 HydrophobicContact CD2-CD1 3.59Å; L574-Y588 HydrophobicContact CD2-CE1 3.74Å; L574-Y588 HydrophobicContact CD2-CG 4.24Å; L574-Y588 HydrophobicContact CG-CD1 4.24Å; L574-Y588 HydrophobicContact CG-CE1 4.02Å; N581-Y588 HydrophobicContact CB-CE2 4.32Å; N581-Y588 WeakPolarHBondContact CB-OH 3.33Å; N581-Y588 PolarHBondContact ND2-OH 2.78Å; N581-Y588 WeakPolarHBondContact O-CE2 3.45Å; E584-Y588 HydrophobicContact CB-CD2 4.33Å; E584-Y588 HydrophobicContact CB-CE2 4.27Å; E584-Y588 WeakPolarHBondContact O-CD2 3.24Å; E584-Y588 PolarHBondContact O-N 3.31Å; L585-Y588 PolarHBondContact O-N 3.44Å; Y588-Q590 VanDerWaalsContact C-N 3.3Å; Y588-Q590 PolarHBondContact O-N 2.96Å; Y588-L591 PolarHBondContact O-N 3.44Å; Y588-L591 VanDerWaalsContact O-N 3.12Å; Y588-V592 WeakPolarHBondContact O-CG2 3.26Å; Y588-V592 PolarHBondContact O-N 2.95Å; Y588-F630 HydrophobicContact CD2-CZ 4.18Å; Y588-F630 HydrophobicContact CE2-CZ 4.4Å
589	A	95.6	Very high	89.2	Confident	2 Å²	2	44.5 Å²	44.5	2%	0.017	23%	0.233	C	C	.	.	H	α-helix	trans	-57.7	-43.1	176.4	0	0	0	0	0	111.7	L585 Q586 A587 L591 V592 F593 L634 L637 I638	L585-A589 PolarHBondContact O-N 2.94Å; Q586-A589 PolarHBondContact O-N 3.29Å; A587-A589 VanDerWaalsContact C-N 3.35Å; A587-A589 PolarHBondContact O-N 3.08Å; A589-L591 VanDerWaalsContact C-N 3.35Å; A589-L591 PolarHBondContact O-N 2.75Å; A589-V592 WeakPolarHBondContact O-CB 3.33Å; A589-V592 PolarHBondContact O-N 3.25Å; A589-F593 HydrophobicContact CB-CE2 4.3Å; A589-F593 WeakPolarHBondContact O-CD2 3.41Å; A589-F593 PolarHBondContact O-N 2.93Å; A589-L634 HydrophobicContact CB-CD1 4.31Å; A589-L637 HydrophobicContact CB-CB 3.83Å; A589-L637 HydrophobicContact CB-CD1 4.29Å; A589-I638 HydrophobicContact CB-CG2 3.94Å
590	Q	95.9	Very high	90.2	Very high	128 Å²	128	41 Å²	41	60%	0.598	20%	0.203	S	C	*	.	H	α-helix	trans	-60.3	-40.4	175.1	-71.2	173.1	8.9	0	0	113	Q586 A587 Y588 F593 L594	Q586-Q590 WeakPolarHBondContact O-CG 3.44Å; Q586-Q590 PolarHBondContact O-N 3.09Å; Q586-Q590 VanDerWaalsContact O-N 3.1Å; A587-Q590 WeakPolarHBondContact O-CB 3.25Å; A587-Q590 PolarHBondContact O-N 3.46Å; Y588-Q590 VanDerWaalsContact C-N 3.3Å; Y588-Q590 PolarHBondContact O-N 2.96Å; Q590-F593 PolarHBondContact O-N 3.43Å; Q590-L594 PolarHBondContact O-N 3.2Å
591	L	96.5	Very high	91.4	Very high	9 Å²	9	37.9 Å²	37.9	5%	0.047	19%	0.192	C	C	.	.	H	α-helix	trans	-66.2	-38.4	175.2	-64.4	-177.7	0	0	0	112	V533 W553 F556 L557 L560 Y572 A587 Y588 A589 L594 G595	V533-L591 HydrophobicContact CG1-CD1 3.97Å; W553-L591 HydrophobicContact CH2-CD2 4.36Å; F556-L591 HydrophobicContact CE1-CD1 3.82Å; F556-L591 HydrophobicContact CE1-CD2 4.02Å; F556-L591 HydrophobicContact CZ-CD1 4.11Å; L557-L591 HydrophobicContact CD2-CD2 3.74Å; L560-L591 HydrophobicContact CD1-CB 4.07Å; L560-L591 HydrophobicContact CD1-CD2 3.89Å; L560-L591 HydrophobicContact CD1-CG 4.41Å; Y572-L591 PolarHBondContact OH-O 3.49Å; A587-L591 WeakPolarHBondContact O-CG 3.42Å; A587-L591 PolarHBondContact O-N 3.2Å; Y588-L591 PolarHBondContact O-N 3.44Å; Y588-L591 VanDerWaalsContact O-N 3.12Å; A589-L591 VanDerWaalsContact C-N 3.35Å; A589-L591 PolarHBondContact O-N 2.75Å; L591-L594 WeakPolarHBondContact O-CB 3.38Å; L591-L594 PolarHBondContact O-N 3.29Å; L591-G595 PolarHBondContact O-N 2.87Å; L591-G595 VanDerWaalsContact O-N 3.13Å
592	V	97.1	Very high	92.6	Very high	2 Å²	2	37.9 Å²	37.9	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-46.5	174.2	173.6	0	0	0	0	110.6	Y572 Y588 A589 L594 G595 N596 I600 I638 Y641	Y572-V592 HydrophobicContact CD2-CG2 4.29Å; Y572-V592 HydrophobicContact CE2-CG2 4.44Å; Y588-V592 WeakPolarHBondContact O-CG2 3.26Å; Y588-V592 PolarHBondContact O-N 2.95Å; A589-V592 WeakPolarHBondContact O-CB 3.33Å; A589-V592 PolarHBondContact O-N 3.25Å; V592-L594 PolarHBondContact O-N 3.32Å; V592-G595 PolarHBondContact O-N 2.99Å; V592-N596 WeakPolarHBondContact O-CA 3.46Å; V592-N596 PolarHBondContact O-N 2.87Å; V592-I600 HydrophobicContact CB-CD1 4.37Å; V592-I600 HydrophobicContact CG1-CD1 3.83Å; V592-I600 HydrophobicContact CG2-CD1 3.54Å; V592-I600 HydrophobicContact CG2-CG1 4.49Å; V592-I638 HydrophobicContact CB-CG2 4.09Å; V592-I638 HydrophobicContact CG1-CB 4.44Å; V592-I638 HydrophobicContact CG1-CD1 4.11Å; V592-I638 HydrophobicContact CG1-CG2 3.93Å; V592-Y641 HydrophobicContact CG1-CD2 4.22Å; V592-Y641 HydrophobicContact CG1-CE2 3.64Å
593	F	95.9	Very high	93.8	Very high	116 Å²	116	38.7 Å²	38.7	51%	0.509	19%	0.192	S	C	.	.	H	α-helix	trans	-60.8	-34.9	174.9	-70.1	-58.8	0	0	0	112.7	A589 Q590 L637 I638	A589-F593 HydrophobicContact CB-CE2 4.3Å; A589-F593 WeakPolarHBondContact O-CD2 3.41Å; A589-F593 PolarHBondContact O-N 2.93Å; Q590-F593 PolarHBondContact O-N 3.43Å; F593-L637 VanDerWaalsContact CZ-O 3.27Å; F593-L637 WeakPolarHBondContact CZ-O 3.2Å; F593-I638 HydrophobicContact CE2-CG2 4.17Å; F593-I638 HydrophobicContact CZ-CG2 4.06Å
594	L	95.6	Very high	94.6	Very high	62 Å²	62	31.8 Å²	31.8	33%	0.325	16%	0.156	S	C	.	.	H	α-helix	trans	-67.2	-44.6	-179.6	-179.2	64.7	0	0	0	112.9	L557 L560 K561 Q590 L591 V592	L557-L594 HydrophobicContact CB-CD2 4.1Å; L557-L594 HydrophobicContact CD2-CD2 3.6Å; L557-L594 HydrophobicContact CG-CD2 4.4Å; L560-L594 HydrophobicContact CB-CD2 4.31Å; L560-L594 HydrophobicContact CD1-CD2 4.35Å; K561-L594 HydrophobicContact CD-CD1 4.44Å; K561-L594 HydrophobicContact CG-CD1 3.91Å; K561-L594 HydrophobicContact CG-CG 4.2Å; Q590-L594 PolarHBondContact O-N 3.2Å; L591-L594 WeakPolarHBondContact O-CB 3.38Å; L591-L594 PolarHBondContact O-N 3.29Å; V592-L594 PolarHBondContact O-N 3.32Å
595	G	95.3	Very high	94.7	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-108	-5.6	-174.8	0	0	0	0	0	116.3	L560 A564 Y572 L591 V592	L560-G595 WeakPolarHBondContact O-CA 3.42Å; A564-G595 VanDerWaalsContact CA-O 3.29Å; A564-G595 WeakPolarHBondContact CA-O 3.12Å; A564-G595 WeakPolarHBondContact CB-O 3.49Å; Y572-G595 WeakPolarHBondContact OH-CA 3.28Å; L591-G595 PolarHBondContact O-N 2.87Å; L591-G595 VanDerWaalsContact O-N 3.13Å; V592-G595 PolarHBondContact O-N 2.99Å
596	N	96.7	Very high	94.1	Very high	74 Å²	74	32.7 Å²	32.7	40%	0.396	17%	0.165	S	C	.	.			trans	41	53.5	174.1	-167.1	23.1	0	0	0	114.3	V592 Y641 H657	V592-N596 WeakPolarHBondContact O-CA 3.46Å; V592-N596 PolarHBondContact O-N 2.87Å; N596-Y641 VanDerWaalsContact C-OH 3.24Å; N596-Y641 PolarHBondContact OD1-OH 3.08Å; N596-Y641 VanDerWaalsContact OD1-OH 3.08Å; N596-H657 PolarHBondContact OD1-CD2 2.84Å
597	P	98.1	Very high	93.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.			trans	-64.9	156	-175.9	31.4	-39.2	0	0	0	111.7	T570 Y572 F599 I600 Y641	T570-P597 WeakPolarHBondContact OG1-CA 3.36Å; Y572-P597 HydrophobicContact CD1-CB 3.86Å; Y572-P597 HydrophobicContact CD1-CG 4.02Å; Y572-P597 HydrophobicContact CD2-CB 4.47Å; Y572-P597 HydrophobicContact CD2-CG 3.72Å; Y572-P597 HydrophobicContact CE1-CB 4.1Å; Y572-P597 HydrophobicContact CE1-CG 4.2Å; Y572-P597 HydrophobicContact CE2-CG 3.9Å; Y572-P597 HydrophobicContact CG-CB 4.06Å; Y572-P597 HydrophobicContact CG-CG 3.76Å; P597-F599 VanDerWaalsContact C-N 3.31Å; P597-F599 PolarHBondContact O-N 3.39Å; P597-I600 HydrophobicContact CG-CG1 3.95Å; P597-Y641 WeakPolarHBondContact CD-OH 3.36Å; P597-Y641 WeakPolarHBondContact O-CE1 3.38Å; P597-Y641 VanDerWaalsContact O-CZ 3.3Å; P597-Y641 PolarHBondContact O-OH 2.87Å
598	D	98.6	Very high	91.7	Very high	5 Å²	5	32 Å²	32	3%	0.027	16%	0.163	C	C	.	.	S	Bend	trans	-65.6	-38.1	173.3	-64.6	-62.3	0	0	0	112.1	R569 T570 H657 K659 F660	R569-D598 VanDerWaalsContact CA-OD2 3.24Å; R569-D598 WeakPolarHBondContact CA-OD2 3.49Å; T570-D598 PolarHBondContact N-OD2 2.92Å; T570-D598 WeakPolarHBondContact O-CB 3.49Å; T570-D598 PolarHBondContact O-N 3.46Å; T570-D598 VanDerWaalsContact O-N 3.09Å; T570-D598 PolarHBondContact OG1-N 3.35Å; T570-D598 PolarHBondContact OG1-OD2 2.92Å; D598-H657 PolarHBondContact O-N 3.01Å; D598-K659 WeakPolarHBondContact OD1-CE 3.42Å; D598-K659 IonicContact OD1-NZ 2.98Å; D598-K659 PolarHBondContact OD1-NZ 3.05Å; D598-F660 HydrophobicContact CB-CE2 3.56Å; D598-F660 HydrophobicContact CB-CZ 3.89Å; D598-F660 WeakPolarHBondContact OD1-CE2 3.46Å
599	F	98.8	Very high	90.1	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	152.4	-175.3	-51.4	-78.2	0	0	0	112.2	Y400 R569 T570 V571 Y572 P597 L654 I655 A656 F660 T668	Y400-F599 HydrophobicContact CE1-CD1 4.43Å; Y400-F599 HydrophobicContact CE1-CD2 4.34Å; Y400-F599 HydrophobicContact CE1-CG 4.23Å; R569-F599 HydrophobicContact CB-CE2 4.49Å; R569-F599 HydrophobicContact CG-CE2 4.36Å; R569-F599 VanDerWaalsContact CZ-CZ 3.4Å; T570-F599 PolarHBondContact O-N 3.01Å; T570-F599 VanDerWaalsContact O-N 3.11Å; V571-F599 VanDerWaalsContact CA-O 3.31Å; V571-F599 WeakPolarHBondContact CA-O 3.27Å; V571-F599 HydrophobicContact CG1-CB 4.29Å; V571-F599 HydrophobicContact CG2-CB 4.14Å; V571-F599 HydrophobicContact CG2-CD2 4.12Å; Y572-F599 PolarHBondContact N-O 3.44Å; P597-F599 VanDerWaalsContact C-N 3.31Å; P597-F599 PolarHBondContact O-N 3.39Å; F599-L654 HydrophobicContact CB-CD1 3.84Å; F599-L654 HydrophobicContact CD1-CD1 4.13Å; F599-L654 HydrophobicContact CD1-CD2 4.37Å; F599-L654 HydrophobicContact CD1-CG 4.46Å; F599-L654 HydrophobicContact CG-CD1 4.29Å; F599-I655 CarbonylContact C-O 3.24Å; F599-I655 WeakPolarHBondContact CA-O 3.35Å; F599-A656 HydrophobicContact CD1-CB 3.75Å; F599-A656 HydrophobicContact CE1-CB 3.89Å; F599-F660 HydrophobicContact CE1-CD1 4.46Å; F599-F660 AromaticContact CE1-CD2 3.92Å; F599-F660 HydrophobicContact CE1-CD2 3.92Å; F599-F660 HydrophobicContact CE1-CE2 4.18Å; F599-F660 HydrophobicContact CE1-CG 4.07Å; F599-F660 HydrophobicContact CE2-CE1 4.34Å; F599-F660 HydrophobicContact CE2-CE2 4.05Å; F599-F660 AromaticContact CE2-CZ 3.91Å; F599-F660 HydrophobicContact CE2-CZ 3.91Å; F599-F660 AromaticContact CZ-CD1 3.86Å; F599-F660 HydrophobicContact CZ-CD1 3.86Å; F599-F660 AromaticContact CZ-CD2 3.72Å; F599-F660 HydrophobicContact CZ-CD2 3.72Å; F599-F660 AromaticContact CZ-CE1 3.72Å; F599-F660 HydrophobicContact CZ-CE1 3.72Å; F599-F660 AromaticContact CZ-CE2 3.59Å; F599-F660 HydrophobicContact CZ-CE2 3.59Å; F599-F660 AromaticContact CZ-CG 3.85Å; F599-F660 HydrophobicContact CZ-CG 3.85Å; F599-F660 AromaticContact CZ-CZ 3.59Å; F599-F660 HydrophobicContact CZ-CZ 3.59Å; F599-T668 HydrophobicContact CE1-CG2 4.05Å
600	I	98.6	Very high	88.1	Confident	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	112.6	172	-49.6	165.7	0	0	0	107.1	Y572 L574 V592 P597 V602 I638 Y641 I655	Y572-I600 CarbonylContact O-C 3.47Å; Y572-I600 WeakPolarHBondContact O-CA 3.41Å; L574-I600 HydrophobicContact CD1-CG2 3.37Å; L574-I600 HydrophobicContact CD2-CG2 4.23Å; L574-I600 HydrophobicContact CG-CG2 4.4Å; V592-I600 HydrophobicContact CB-CD1 4.37Å; V592-I600 HydrophobicContact CG1-CD1 3.83Å; V592-I600 HydrophobicContact CG2-CD1 3.54Å; V592-I600 HydrophobicContact CG2-CG1 4.49Å; P597-I600 HydrophobicContact CG-CG1 3.95Å; I600-V602 HydrophobicContact CG2-CG2 4.14Å; I600-I638 HydrophobicContact CD1-CD1 3.71Å; I600-Y641 HydrophobicContact CD1-CD1 4.18Å; I600-Y641 HydrophobicContact CD1-CE1 4.18Å; I600-Y641 HydrophobicContact CG1-CE1 4.43Å; I600-I655 HydrophobicContact CB-CB 4.09Å; I600-I655 HydrophobicContact CB-CD1 4.35Å; I600-I655 HydrophobicContact CD1-CG2 4.44Å; I600-I655 HydrophobicContact CG2-CD1 4.44Å; I600-I655 PolarHBondContact N-O 3.36Å; I600-I655 PolarHBondContact O-N 3.12Å
601	E	98	Very high	86.1	Confident	0 Å²	0	38 Å²	38	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	117.6	171.1	-66.8	179	162.9	0	0	108.5	Y395 F399 Y400 Y530 V571 Y572 R573 L574 L654	Y395-E601 HydrophobicContact CE2-CG 4.5Å; Y395-E601 WeakPolarHBondContact CE2-OE1 3.5Å; Y395-E601 PolarHBondContact OH-OE2 3.41Å; F399-E601 HydrophobicContact CD2-CG 4.39Å; F399-E601 HydrophobicContact CE2-CG 4.42Å; Y400-E601 VanDerWaalsContact CE2-OE1 3.24Å; Y400-E601 WeakPolarHBondContact CE2-OE1 3.09Å; Y400-E601 PolarHBondContact OH-OE1 2.94Å; Y530-E601 WeakPolarHBondContact CE1-OE1 3.47Å; V571-E601 HydrophobicContact CG1-CB 4.43Å; V571-E601 HydrophobicContact CG1-CG 3.74Å; Y572-E601 PolarHBondContact O-N 2.86Å; R573-E601 IonicContact CZ-OE2 3.34Å; R573-E601 VanDerWaalsContact CZ-OE2 3.24Å; R573-E601 IonicContact NE-OE2 3Å; R573-E601 PolarHBondContact NE-OE2 2.97Å; R573-E601 IonicContact NH2-OE1 3.3Å; R573-E601 IonicContact NH2-OE2 2.79Å; R573-E601 PolarHBondContact NH2-OE2 2.96Å; L574-E601 PolarHBondContact N-O 3.41Å; E601-L654 HydrophobicContact CG-CD1 4.34Å
602	V	96	Very high	83.8	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	112.7	172.9	-173.5	0	0	0	0	108.3	L574 L576 I600 V627 F630 V631 C652 L653 I655	L574-V602 HydrophobicContact CB-CG2 4.47Å; L574-V602 HydrophobicContact CD2-CG2 4.41Å; L576-V602 HydrophobicContact CB-CG1 4.48Å; I600-V602 HydrophobicContact CG2-CG2 4.14Å; V602-V627 HydrophobicContact CB-CG1 4.48Å; V602-V627 HydrophobicContact CG1-CG1 3.86Å; V602-F630 HydrophobicContact CG1-CD1 3.98Å; V602-F630 HydrophobicContact CG1-CE1 4.09Å; V602-V631 HydrophobicContact CB-CG2 3.66Å; V602-V631 HydrophobicContact CG1-CG2 3.85Å; V602-V631 HydrophobicContact CG2-CG2 3.79Å; V602-C652 WeakPolarHBondContact O-CA 3.44Å; V602-L653 PolarHBondContact N-O 3.11Å; V602-L653 PolarHBondContact O-N 3.48Å; V602-I655 HydrophobicContact CG2-CD1 4.1Å
603	K	92.3	Very high	81.5	Confident	60 Å²	60	45.2 Å²	45.2	26%	0.261	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.1	-174.7	-172.2	180	175.1	-171.1	0	111	Y395 L574 T575 L576 C652	Y395-K603 HydrophobicContact CE1-CD 4.43Å; L574-K603 PolarHBondContact O-N 3.17Å; T575-K603 CarbonylContact C-O 3.54Å; T575-K603 WeakPolarHBondContact CA-O 3.45Å; L576-K603 PolarHBondContact N-O 3.01Å; K603-C652 HydrophobicContact CG-CB 4.36Å
604	G	89.6	Confident	80	Confident	3 Å²	3	40.6 Å²	40.6	3%	0.031	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	135.5	169.9	0	0	0	0	0	111.8	T606 N651	G604-T606 PolarHBondContact O-N 2.89Å; G604-N651 PolarHBondContact N-O 2.96Å
605	V	83.2	Confident	78.7	Confident	8 Å²	8	44.1 Å²	44.1	5%	0.048	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-57.9	135.2	177	69.2	0	0	0	0	110.6	T575 L576 V577 L616 H620 V621	T575-V605 HydrophobicContact CG2-CB 4.03Å; T575-V605 HydrophobicContact CG2-CG2 4.17Å; L576-V605 WeakPolarHBondContact O-CB 3.28Å; L576-V605 PolarHBondContact O-N 2.8Å; V577-V605 HydrophobicContact CB-CG1 4.37Å; V577-V605 HydrophobicContact CG1-CG1 4.32Å; V577-V605 HydrophobicContact CG2-CB 3.85Å; V577-V605 HydrophobicContact CG2-CG1 4.04Å; V577-V605 HydrophobicContact CG2-CG2 4.11Å; V605-L616 HydrophobicContact CG1-CD1 4.3Å; V605-L616 HydrophobicContact CG2-CD1 4.44Å; V605-L616 HydrophobicContact CG2-CD2 3.81Å; V605-H620 WeakPolarHBondContact CG1-O 3.35Å; V605-V621 HydrophobicContact CG1-CG2 4.36Å; V605-V621 WeakPolarHBondContact O-CG1 3.45Å
606	T	75.8	Confident	77.6	Confident	78 Å²	78	45 Å²	45	48%	0.479	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-96.7	125.8	172.5	-52.3	0	0	0	0	108.7	G604 C608	G604-T606 PolarHBondContact O-N 2.89Å; T606-C608 PolarHBondContact O-N 3.35Å
607	Y	74.1	Confident	76.7	Confident	54 Å²	54	44.3 Å²	44.3	21%	0.212	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-69.1	124.8	175.5	-176.7	-113.1	0	0	0	111	G609 E610 L616 M618	Y607-G609 VanDerWaalsContact CZ-C 3.42Å; Y607-E610 WeakPolarHBondContact OH-CG 3.44Å; Y607-E610 PolarHBondContact OH-N 3.08Å; Y607-L616 HydrophobicContact CD2-CD2 4.33Å; Y607-L616 HydrophobicContact CD2-CG 4.42Å; Y607-L616 WeakPolarHBondContact CE2-O 3.26Å; Y607-M618 VanDerWaalsContact CB-SD 3.5Å; Y607-M618 HydrophobicContact CD1-CG 3.78Å; Y607-M618 HydrophobicContact CD1-SD 3.44Å; Y607-M618 WeakPolarHBondContact CD1-SD 3.42Å; Y607-M618 HydrophobicContact CE1-CG 4.08Å; Y607-M618 HydrophobicContact CE1-SD 4.31Å; Y607-M618 HydrophobicContact CG-CG 4.16Å; Y607-M618 HydrophobicContact CG-SD 3.66Å
608	C	59.1	Low	75.7	Confident	66 Å²	66	48.8 Å²	48.8	45%	0.446	28%	0.284	S	S	.	.			trans	-107.2	16.1	-177.2	-67.6	0	0	0	0	113.1	F162 T606	F162-C608 VanDerWaalsContact CE2-O 3.25Å; F162-C608 WeakPolarHBondContact CE2-O 3.45Å; T606-C608 PolarHBondContact O-N 3.35Å
609	G	60.7	Low	74.9	Confident	36 Å²	36	52.2 Å²	52.2	37%	0.371	31%	0.313	S	S	.	.			trans	97.7	173.3	-177.5	0	0	0	0	0	113.8	Y607	Y607-G609 VanDerWaalsContact CZ-C 3.42Å
610	E	53.6	Low	74.2	Confident	185 Å²	185	54 Å²	54	86%	0.864	32%	0.322	S	S	*	.			trans	-78.6	131.3	-179	-63.6	178.9	179.8	0	0	109.6	Y607	Y607-E610 WeakPolarHBondContact OH-CG 3.44Å; Y607-E610 PolarHBondContact OH-N 3.08Å
611	S	54.1	Low	73.5	Confident	41 Å²	41	55.7 Å²	55.7	29%	0.287	33%	0.332	S	S	.	.	B	Isolated β-bridge	trans	-130.2	144.2	169	70.6	0	0	0	0	108.8	A613 S614	S611-A613 PolarHBondContact O-N 3.05Å; S611-S614 PolarHBondContact O-N 3.43Å; S611-S614 WeakPolarHBondContact OG-CB 3.34Å; S611-S614 PolarHBondContact OG-N 3.06Å
612	S	48.4	Very low	73	Confident	140 Å²	140	56 Å²	56	98%	0.979	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-13.2	178.5	51.6	0	0	0	0	114
613	A	50.1	Low	72.7	Confident	22 Å²	22	61.7 Å²	61.7	18%	0.182	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-7	-176.9	0	0	0	0	0	114.8	S611	S611-A613 PolarHBondContact O-N 3.05Å
614	S	63.3	Low	72.7	Confident	18 Å²	18	59.8 Å²	59.8	13%	0.126	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-124.3	126.7	-176.9	-167.2	0	0	0	0	111.4	V421 S611 L616	V421-S614 WeakPolarHBondContact O-CB 3.5Å; V421-S614 PolarHBondContact O-OG 3.41Å; S611-S614 PolarHBondContact O-N 3.43Å; S611-S614 WeakPolarHBondContact OG-CB 3.34Å; S611-S614 PolarHBondContact OG-N 3.06Å; S614-L616 PolarHBondContact O-N 3.1Å; S614-L616 WeakPolarHBondContact OG-CB 3.49Å; S614-L616 PolarHBondContact OG-N 3.41Å
615	N	67.9	Low	72.9	Confident	137 Å²	137	65.3 Å²	65.3	73%	0.733	37%	0.372	S	S	*	.			trans	-85.5	10.1	173.6	-63.3	-10.9	0	0	0	112.2	H620	N615-H620 PolarHBondContact O-CE1 3.34Å
616	L	72.9	Confident	73.3	Confident	17 Å²	17	68.1 Å²	68.1	9%	0.089	39%	0.385	C	S	.	.			trans	-68.9	133.6	177.6	-168.3	76.3	0	0	0	108.9	V577 W580 V605 Y607 S614 H620	V577-L616 HydrophobicContact CG1-CD1 3.65Å; W580-L616 HydrophobicContact CH2-CB 4.31Å; W580-L616 HydrophobicContact CH2-CD1 4.24Å; W580-L616 HydrophobicContact CZ2-CD1 4.46Å; V605-L616 HydrophobicContact CG1-CD1 4.3Å; V605-L616 HydrophobicContact CG2-CD1 4.44Å; V605-L616 HydrophobicContact CG2-CD2 3.81Å; Y607-L616 HydrophobicContact CD2-CD2 4.33Å; Y607-L616 HydrophobicContact CD2-CG 4.42Å; Y607-L616 WeakPolarHBondContact CE2-O 3.26Å; S614-L616 PolarHBondContact O-N 3.1Å; S614-L616 WeakPolarHBondContact OG-CB 3.49Å; S614-L616 PolarHBondContact OG-N 3.41Å; L616-H620 HydrophobicContact CD1-CB 3.55Å; L616-H620 HydrophobicContact CG-CB 4.4Å
617	T	76.8	Confident	74.1	Confident	61 Å²	61	64.4 Å²	64.4	37%	0.374	36%	0.362	S	S	.	.			trans	-131.5	170.1	176.3	67.4	0	0	0	0	109.5	A619 H620	T617-A619 PolarHBondContact O-N 2.89Å; T617-A619 VanDerWaalsContact O-N 3.11Å; T617-A619 PolarHBondContact OG1-N 3.47Å; T617-H620 PolarHBondContact N-ND1 3.17Å; T617-H620 VanDerWaalsContact N-ND1 3.14Å; T617-H620 WeakPolarHBondContact O-CB 3.4Å; T617-H620 PolarHBondContact O-N 3.26Å; T617-H620 PolarHBondContact OG1-CE1 3.4Å; T617-H620 PolarHBondContact OG1-ND1 3.34Å
618	M	77.5	Confident	75.2	Confident	93 Å²	93	62.5 Å²	62.5	46%	0.458	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-54.9	-28.4	174.2	-77.9	-62.7	-56.8	0	0	113.5	Y607 H620 V621	Y607-M618 VanDerWaalsContact CB-SD 3.5Å; Y607-M618 HydrophobicContact CD1-CG 3.78Å; Y607-M618 HydrophobicContact CD1-SD 3.44Å; Y607-M618 WeakPolarHBondContact CD1-SD 3.42Å; Y607-M618 HydrophobicContact CE1-CG 4.08Å; Y607-M618 HydrophobicContact CE1-SD 4.31Å; Y607-M618 HydrophobicContact CG-CG 4.16Å; Y607-M618 HydrophobicContact CG-SD 3.66Å; M618-H620 PolarHBondContact O-N 3.04Å; M618-V621 WeakPolarHBondContact O-CB 3.42Å; M618-V621 PolarHBondContact O-N 3Å; M618-V621 HydrophobicContact SD-CG2 4.46Å
619	A	82	Confident	76.8	Confident	77 Å²	77	63.8 Å²	63.8	64%	0.636	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-66.7	-19.2	177.4	0	0	0	0	0	113.6	T617	T617-A619 PolarHBondContact O-N 2.89Å; T617-A619 VanDerWaalsContact O-N 3.11Å; T617-A619 PolarHBondContact OG1-N 3.47Å
620	H	83.4	Confident	78.4	Confident	39 Å²	39	62.3 Å²	62.3	18%	0.181	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-88.2	-7.7	178.7	-62.5	93.2	0	0	0	113	V577 K578 W580 V605 N615 L616 T617 M618 P622	V577-H620 HydrophobicContact CG1-CB 4.05Å; K578-H620 VanDerWaalsContact CB-O 3.31Å; K578-H620 WeakPolarHBondContact CB-O 3.38Å; K578-H620 PolarHBondContact N-O 2.84Å; K578-H620 PolarHBondContact O-CD2 2.68Å; W580-H620 AromaticContact CD1-CD2 3.78Å; W580-H620 AromaticContact CE2-CD2 3.89Å; W580-H620 AromaticContact CE2-NE2 3.95Å; W580-H620 AromaticContact NE1-CD2 3.22Å; W580-H620 PolarHBondContact NE1-CD2 3.21Å; W580-H620 AromaticContact NE1-NE2 3.18Å; W580-H620 PolarHBondContact NE1-NE2 3.4Å; W580-H620 VanDerWaalsContact NE1-NE2 3.18Å; V605-H620 WeakPolarHBondContact CG1-O 3.35Å; N615-H620 PolarHBondContact O-CE1 3.34Å; L616-H620 HydrophobicContact CD1-CB 3.55Å; L616-H620 HydrophobicContact CG-CB 4.4Å; T617-H620 PolarHBondContact N-ND1 3.17Å; T617-H620 VanDerWaalsContact N-ND1 3.14Å; T617-H620 WeakPolarHBondContact O-CB 3.4Å; T617-H620 PolarHBondContact O-N 3.26Å; T617-H620 PolarHBondContact OG1-CE1 3.4Å; T617-H620 PolarHBondContact OG1-ND1 3.34Å; M618-H620 PolarHBondContact O-N 3.04Å; H620-P622 WeakPolarHBondContact O-CD 3.36Å
621	V	85	Confident	80.5	Confident	34 Å²	34	53.5 Å²	53.5	21%	0.206	30%	0.297	C	S	.	.	S	Bend	trans	-78.5	116.7	176.1	177.3	0	0	0	0	108.4	V605 M618	V605-V621 HydrophobicContact CG1-CG2 4.36Å; V605-V621 WeakPolarHBondContact O-CG1 3.45Å; M618-V621 WeakPolarHBondContact O-CB 3.42Å; M618-V621 PolarHBondContact O-N 3Å; M618-V621 HydrophobicContact SD-CG2 4.46Å
622	P	87.8	Confident	82.5	Confident	6 Å²	6	57.2 Å²	57.2	4%	0.039	31%	0.305	C	S	.	.	P	Polyproline II helix	trans	-72.5	148.9	179.2	30.3	-34.1	0	0	0	111.2	L576 H620 E626 V627 N651	L576-P622 HydrophobicContact CD2-CB 4.36Å; L576-P622 HydrophobicContact CD2-CG 4.28Å; H620-P622 WeakPolarHBondContact O-CD 3.36Å; P622-E626 VanDerWaalsContact CA-OE2 3.3Å; P622-E626 WeakPolarHBondContact CA-OE2 3.24Å; P622-E626 HydrophobicContact CB-CB 4.26Å; P622-V627 HydrophobicContact CB-CG2 4Å; P622-V627 HydrophobicContact CG-CG2 3.83Å; P622-N651 PolarHBondContact O-ND2 3.27Å
623	W	89.6	Confident	84.7	Confident	121 Å²	121	54.1 Å²	54.1	46%	0.458	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-71.4	162.2	165.8	-64.4	95.1	0	0	0	110.9	E625 E626 V627	W623-E625 VanDerWaalsContact C-N 3.32Å; W623-E625 PolarHBondContact O-N 3.12Å; W623-E626 HydrophobicContact CB-CG 4.14Å; W623-E626 PolarHBondContact N-OE2 3.21Å; W623-E626 WeakPolarHBondContact O-CB 3.37Å; W623-E626 PolarHBondContact O-N 3.28Å; W623-V627 WeakPolarHBondContact O-CG2 3.32Å; W623-V627 PolarHBondContact O-N 2.78Å
624	H	92.3	Very high	86.9	Confident	19 Å²	19	53.1 Å²	53.1	9%	0.088	27%	0.267	C	S	.	.	H	α-helix	trans	-63.8	-41.6	-177.9	-171.6	51	0	0	0	112.3	E626 V627 V628 E646 N651	H624-E626 PolarHBondContact O-N 3.14Å; H624-V627 PolarHBondContact O-N 3.44Å; H624-V627 VanDerWaalsContact O-N 3.08Å; H624-V628 WeakPolarHBondContact O-CG2 3.34Å; H624-V628 PolarHBondContact O-N 3.09Å; H624-E646 IonicContact NE2-OE2 2.64Å; H624-E646 PolarHBondContact NE2-OE2 3.46Å; H624-N651 VanDerWaalsContact CA-OD1 3.26Å; H624-N651 WeakPolarHBondContact CA-OD1 3.43Å; H624-N651 PolarHBondContact ND1-OD1 3.26Å
625	E	92.5	Very high	88.5	Confident	120 Å²	120	53.2 Å²	53.2	56%	0.561	27%	0.267	S	S	*	.	H	α-helix	trans	-61	-34.2	176.8	-62.9	75.6	-167.8	0	0	112	W623 V628 Q629	W623-E625 VanDerWaalsContact C-N 3.32Å; W623-E625 PolarHBondContact O-N 3.12Å; E625-V628 PolarHBondContact O-N 3.46Å; E625-Q629 WeakPolarHBondContact O-CB 3.32Å; E625-Q629 PolarHBondContact O-N 3.14Å
626	E	92	Very high	89.9	Confident	66 Å²	66	53.1 Å²	53.1	31%	0.308	27%	0.266	S	S	.	.	H	α-helix	trans	-68.7	-39	175.3	-65.2	177.9	136.6	0	0	111.3	K578 P622 W623 H624 Q629 F630	K578-E626 WeakPolarHBondContact CE-OE1 3.36Å; K578-E626 IonicContact NZ-OE1 3.01Å; K578-E626 PolarHBondContact NZ-OE1 3.13Å; K578-E626 IonicContact NZ-OE2 2.71Å; P622-E626 VanDerWaalsContact CA-OE2 3.3Å; P622-E626 WeakPolarHBondContact CA-OE2 3.24Å; P622-E626 HydrophobicContact CB-CB 4.26Å; W623-E626 HydrophobicContact CB-CG 4.14Å; W623-E626 PolarHBondContact N-OE2 3.21Å; W623-E626 WeakPolarHBondContact O-CB 3.37Å; W623-E626 PolarHBondContact O-N 3.28Å; H624-E626 PolarHBondContact O-N 3.14Å; E626-Q629 PolarHBondContact O-N 3.12Å; E626-F630 PolarHBondContact O-N 3.31Å
627	V	93.6	Very high	91	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-67.6	-41.3	174.2	-171.5	0	0	0	0	110.6	L576 V602 P622 W623 H624 Q629 F630 V631 N651 L653	L576-V627 HydrophobicContact CD2-CB 4.46Å; L576-V627 HydrophobicContact CD2-CG1 4.47Å; L576-V627 HydrophobicContact CD2-CG2 4Å; V602-V627 HydrophobicContact CB-CG1 4.48Å; V602-V627 HydrophobicContact CG1-CG1 3.86Å; P622-V627 HydrophobicContact CB-CG2 4Å; P622-V627 HydrophobicContact CG-CG2 3.83Å; W623-V627 WeakPolarHBondContact O-CG2 3.32Å; W623-V627 PolarHBondContact O-N 2.78Å; H624-V627 PolarHBondContact O-N 3.44Å; H624-V627 VanDerWaalsContact O-N 3.08Å; V627-Q629 VanDerWaalsContact C-N 3.32Å; V627-Q629 PolarHBondContact O-N 3.32Å; V627-F630 PolarHBondContact O-N 2.94Å; V627-V631 HydrophobicContact CG1-CG2 4.3Å; V627-V631 WeakPolarHBondContact O-CB 3.37Å; V627-V631 WeakPolarHBondContact O-CG2 3.39Å; V627-V631 PolarHBondContact O-N 3.26Å; V627-N651 WeakPolarHBondContact CG2-ND2 3.36Å; V627-N651 WeakPolarHBondContact CG2-OD1 3.39Å; V627-L653 HydrophobicContact CB-CD1 4.04Å; V627-L653 HydrophobicContact CG1-CD1 3.59Å
628	V	95.6	Very high	92	Very high	14 Å²	14	52 Å²	52	9%	0.085	26%	0.258	C	S	.	.	H	α-helix	trans	-58.8	-45.3	175.1	173.1	0	0	0	0	110.8	H624 E625 V631 R632 L653 F706	H624-V628 WeakPolarHBondContact O-CG2 3.34Å; H624-V628 PolarHBondContact O-N 3.09Å; E625-V628 PolarHBondContact O-N 3.46Å; V628-V631 PolarHBondContact O-N 3.11Å; V628-R632 WeakPolarHBondContact O-CG 3.5Å; V628-R632 PolarHBondContact O-N 2.96Å; V628-L653 HydrophobicContact CG2-CD1 4.02Å; V628-L653 HydrophobicContact CG2-CD2 4.06Å; V628-F706 HydrophobicContact CG1-CE2 4.24Å; V628-F706 HydrophobicContact CG1-CZ 3.97Å; V628-F706 HydrophobicContact CG2-CE2 4.37Å
629	Q	94.5	Very high	92.9	Very high	93 Å²	93	51.4 Å²	51.4	44%	0.435	26%	0.261	S	S	.	.	H	α-helix	trans	-62.5	-49.4	179.2	-175.5	60.2	24.8	0	0	111.5	E625 E626 V627 V631 R632 E633	E625-Q629 WeakPolarHBondContact O-CB 3.32Å; E625-Q629 PolarHBondContact O-N 3.14Å; E626-Q629 PolarHBondContact O-N 3.12Å; V627-Q629 VanDerWaalsContact C-N 3.32Å; V627-Q629 PolarHBondContact O-N 3.32Å; Q629-V631 VanDerWaalsContact C-N 3.29Å; Q629-V631 PolarHBondContact O-N 3.25Å; Q629-R632 PolarHBondContact O-N 3.18Å; Q629-E633 WeakPolarHBondContact CG-OE1 3.2Å; Q629-E633 PolarHBondContact NE2-OE1 3.07Å; Q629-E633 WeakPolarHBondContact O-CG 3.45Å; Q629-E633 PolarHBondContact O-N 3.47Å
630	F	94.1	Very high	93.7	Very high	5 Å²	5	51.8 Å²	51.8	2%	0.022	25%	0.252	C	S	.	.	H	α-helix	trans	-56.8	-43.3	176.1	174.9	-91.5	0	0	0	112.1	L576 V582 L585 Y588 V602 E626 V627 E633 L634	L576-F630 HydrophobicContact CD1-CD1 4.06Å; L576-F630 HydrophobicContact CD1-CD2 3.92Å; L576-F630 HydrophobicContact CD1-CE1 4.06Å; L576-F630 HydrophobicContact CD1-CE2 3.9Å; L576-F630 HydrophobicContact CD1-CG 3.99Å; L576-F630 HydrophobicContact CD1-CZ 3.97Å; L576-F630 HydrophobicContact CD2-CB 4.15Å; L576-F630 HydrophobicContact CD2-CD1 4.38Å; L576-F630 HydrophobicContact CD2-CG 4.16Å; V582-F630 HydrophobicContact CG1-CD2 4.07Å; L585-F630 HydrophobicContact CD2-CD2 3.87Å; L585-F630 HydrophobicContact CD2-CE2 3.62Å; L585-F630 HydrophobicContact CD2-CZ 4.06Å; L585-F630 HydrophobicContact CG-CD2 4.2Å; L585-F630 HydrophobicContact CG-CE2 3.87Å; Y588-F630 HydrophobicContact CD2-CZ 4.18Å; Y588-F630 HydrophobicContact CE2-CZ 4.4Å; V602-F630 HydrophobicContact CG1-CD1 3.98Å; V602-F630 HydrophobicContact CG1-CE1 4.09Å; E626-F630 PolarHBondContact O-N 3.31Å; V627-F630 PolarHBondContact O-N 2.94Å; F630-E633 PolarHBondContact O-N 3.24Å; F630-L634 HydrophobicContact CE1-CD2 4.23Å; F630-L634 WeakPolarHBondContact O-CB 3.5Å; F630-L634 PolarHBondContact O-N 2.85Å
631	V	96.2	Very high	94.4	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.8	-39.7	179.9	166.6	0	0	0	0	111.8	V602 V627 V628 Q629 L634 V635 I643 L653 I655	V602-V631 HydrophobicContact CB-CG2 3.66Å; V602-V631 HydrophobicContact CG1-CG2 3.85Å; V602-V631 HydrophobicContact CG2-CG2 3.79Å; V627-V631 HydrophobicContact CG1-CG2 4.3Å; V627-V631 WeakPolarHBondContact O-CB 3.37Å; V627-V631 WeakPolarHBondContact O-CG2 3.39Å; V627-V631 PolarHBondContact O-N 3.26Å; V628-V631 PolarHBondContact O-N 3.11Å; Q629-V631 VanDerWaalsContact C-N 3.29Å; Q629-V631 PolarHBondContact O-N 3.25Å; V631-L634 PolarHBondContact O-N 3.44Å; V631-V635 HydrophobicContact CG1-CG2 4.44Å; V631-V635 WeakPolarHBondContact O-CB 3.31Å; V631-V635 VanDerWaalsContact O-CG2 3.28Å; V631-V635 WeakPolarHBondContact O-CG2 3.44Å; V631-V635 PolarHBondContact O-N 3.39Å; V631-I643 HydrophobicContact CG1-CD1 3.69Å; V631-I643 HydrophobicContact CG1-CG1 3.72Å; V631-I643 HydrophobicContact CG1-CG2 4.49Å; V631-L653 HydrophobicContact CB-CD2 4.34Å; V631-L653 HydrophobicContact CG1-CB 4.41Å; V631-L653 HydrophobicContact CG1-CD2 4.11Å; V631-L653 HydrophobicContact CG2-CB 4.08Å; V631-L653 HydrophobicContact CG2-CD1 4.4Å; V631-L653 HydrophobicContact CG2-CD2 4.48Å; V631-I655 HydrophobicContact CG1-CD1 3.87Å; V631-I655 HydrophobicContact CG1-CG1 3.68Å
632	R	96.7	Very high	95	Very high	119 Å²	119	51.4 Å²	51.4	45%	0.449	25%	0.248	S	C	.	.	H	α-helix	trans	-61.9	-49.6	175.4	-75.5	175.5	177	162.2	-0.5	111.2	V628 Q629 L634 V635 D636 I643	V628-R632 WeakPolarHBondContact O-CG 3.5Å; V628-R632 PolarHBondContact O-N 2.96Å; Q629-R632 PolarHBondContact O-N 3.18Å; R632-L634 VanDerWaalsContact C-N 3.3Å; R632-L634 PolarHBondContact O-N 3.44Å; R632-V635 PolarHBondContact O-N 3.12Å; R632-D636 PolarHBondContact O-N 2.9Å; R632-I643 HydrophobicContact CG-CD1 3.87Å
633	E	95.6	Very high	95.5	Very high	76 Å²	76	52.4 Å²	52.4	36%	0.355	25%	0.253	S	S	.	.	H	α-helix	trans	-61.4	-38.6	178.1	-69.1	171.9	-170.3	0	0	112.1	L585 Q629 F630	L585-E633 HydrophobicContact CD1-CB 3.96Å; L585-E633 VanDerWaalsContact CD1-OE2 3.27Å; L585-E633 WeakPolarHBondContact CD1-OE2 3.3Å; L585-E633 HydrophobicContact CD2-CB 4.15Å; Q629-E633 WeakPolarHBondContact CG-OE1 3.2Å; Q629-E633 PolarHBondContact NE2-OE1 3.07Å; Q629-E633 WeakPolarHBondContact O-CG 3.45Å; Q629-E633 PolarHBondContact O-N 3.47Å; F630-E633 PolarHBondContact O-N 3.24Å
634	L	95.6	Very high	95.9	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-64.5	-48.3	175	-179.6	58.5	0	0	0	111.1	L574 L585 A589 F630 V631 R632 D636 L637 I638 I655	L574-L634 HydrophobicContact CD2-CD2 4.42Å; L585-L634 HydrophobicContact CD2-CB 3.77Å; L585-L634 HydrophobicContact CD2-CD1 4.39Å; A589-L634 HydrophobicContact CB-CD1 4.31Å; F630-L634 HydrophobicContact CE1-CD2 4.23Å; F630-L634 WeakPolarHBondContact O-CB 3.5Å; F630-L634 PolarHBondContact O-N 2.85Å; V631-L634 PolarHBondContact O-N 3.44Å; R632-L634 VanDerWaalsContact C-N 3.3Å; R632-L634 PolarHBondContact O-N 3.44Å; L634-D636 VanDerWaalsContact C-N 3.26Å; L634-D636 PolarHBondContact O-N 3.17Å; L634-L637 WeakPolarHBondContact O-CA 3.38Å; L634-L637 WeakPolarHBondContact O-CB 3.08Å; L634-L637 PolarHBondContact O-N 2.82Å; L634-I638 HydrophobicContact CG-CD1 4.23Å; L634-I638 WeakPolarHBondContact O-CG1 3.34Å; L634-I638 PolarHBondContact O-N 3.16Å; L634-I655 HydrophobicContact CD2-CD1 3.99Å
635	V	97.2	Very high	96.2	Very high	21 Å²	21	45.8 Å²	45.8	13%	0.127	23%	0.227	C	C	.	.	H	α-helix	trans	-59.6	-36.1	-179.2	166.9	0	0	0	0	112	V631 R632 L637 I638 I643 I655	V631-V635 HydrophobicContact CG1-CG2 4.44Å; V631-V635 WeakPolarHBondContact O-CB 3.31Å; V631-V635 VanDerWaalsContact O-CG2 3.28Å; V631-V635 WeakPolarHBondContact O-CG2 3.44Å; V631-V635 PolarHBondContact O-N 3.39Å; R632-V635 PolarHBondContact O-N 3.12Å; V635-L637 PolarHBondContact O-N 3.26Å; V635-L637 VanDerWaalsContact O-N 3.17Å; V635-I638 CarbonylContact O-C 3.44Å; V635-I638 PolarHBondContact O-N 3.37Å; V635-I643 HydrophobicContact CG2-CG1 4.02Å; V635-I655 HydrophobicContact CG2-CB 4.5Å; V635-I655 HydrophobicContact CG2-CD1 3.89Å; V635-I655 HydrophobicContact CG2-CG1 3.94Å; V635-I655 HydrophobicContact CG2-CG2 3.78Å
636	D	96.9	Very high	96.5	Very high	135 Å²	135	40.6 Å²	40.6	72%	0.722	20%	0.203	S	C	*	.	H	α-helix	trans	-60	-25.1	174.9	-69	-21.7	0	0	0	112.7	R632 L634	R632-D636 PolarHBondContact O-N 2.9Å; L634-D636 VanDerWaalsContact C-N 3.26Å; L634-D636 PolarHBondContact O-N 3.17Å
637	L	97.1	Very high	96.7	Very high	53 Å²	53	37.6 Å²	37.6	28%	0.277	19%	0.189	S	C	.	.	H	α-helix	trans	-90.5	-13	177.3	-58.7	175	0	0	0	114	L585 A589 F593 L634 V635	L585-L637 HydrophobicContact CB-CD1 4.08Å; A589-L637 HydrophobicContact CB-CB 3.83Å; A589-L637 HydrophobicContact CB-CD1 4.29Å; F593-L637 VanDerWaalsContact CZ-O 3.27Å; F593-L637 WeakPolarHBondContact CZ-O 3.2Å; L634-L637 WeakPolarHBondContact O-CA 3.38Å; L634-L637 WeakPolarHBondContact O-CB 3.08Å; L634-L637 PolarHBondContact O-N 2.82Å; V635-L637 PolarHBondContact O-N 3.26Å; V635-L637 VanDerWaalsContact O-N 3.17Å
638	I	97.4	Very high	96.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.			trans	-125.3	79.8	-176.4	54.2	170.6	0	0	0	111.3	A589 V592 F593 I600 L634 V635 D640 Y641 I655	A589-I638 HydrophobicContact CB-CG2 3.94Å; V592-I638 HydrophobicContact CB-CG2 4.09Å; V592-I638 HydrophobicContact CG1-CB 4.44Å; V592-I638 HydrophobicContact CG1-CD1 4.11Å; V592-I638 HydrophobicContact CG1-CG2 3.93Å; F593-I638 HydrophobicContact CE2-CG2 4.17Å; F593-I638 HydrophobicContact CZ-CG2 4.06Å; I600-I638 HydrophobicContact CD1-CD1 3.71Å; L634-I638 HydrophobicContact CG-CD1 4.23Å; L634-I638 WeakPolarHBondContact O-CG1 3.34Å; L634-I638 PolarHBondContact O-N 3.16Å; V635-I638 CarbonylContact O-C 3.44Å; V635-I638 PolarHBondContact O-N 3.37Å; I638-D640 PolarHBondContact O-N 3.08Å; I638-Y641 HydrophobicContact CB-CD2 3.98Å; I638-Y641 HydrophobicContact CD1-CD2 3.97Å; I638-Y641 HydrophobicContact CD1-CG 3.84Å; I638-Y641 HydrophobicContact CG1-CD2 4.22Å; I638-Y641 HydrophobicContact CG1-CG 4.34Å; I638-Y641 WeakPolarHBondContact O-CB 3.39Å; I638-Y641 PolarHBondContact O-N 2.86Å; I638-I655 HydrophobicContact CD1-CG2 4.36Å
639	P	96.1	Very high	96.4	Very high	82 Å²	82	41.1 Å²	41.1	53%	0.532	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-15.3	-165.4	26.1	-36.1	0	0	0	115.5	Y641 K658	P639-Y641 PolarHBondContact O-N 2.76Å; P639-K658 WeakPolarHBondContact O-CE 3.29Å; P639-K658 PolarHBondContact O-NZ 3.44Å
640	D	97.7	Very high	96.3	Very high	85 Å²	85	37.5 Å²	37.5	46%	0.455	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	-1.5	176.1	-69.8	-43.2	0	0	0	113.9	I638 H657 K658	I638-D640 PolarHBondContact O-N 3.08Å; D640-H657 PolarHBondContact O-ND1 3.06Å; D640-H657 VanDerWaalsContact O-ND1 3.16Å; D640-K658 WeakPolarHBondContact O-CB 3.4Å; D640-K658 VanDerWaalsContact O-CG 3.3Å; D640-K658 WeakPolarHBondContact O-CG 3.49Å; D640-K658 PolarHBondContact O-N 3.15Å
641	Y	98.6	Very high	96.2	Very high	6 Å²	6	38.2 Å²	38.2	2%	0.024	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	154.7	-175.1	-67.7	-97.1	0	0	0	111.6	V592 N596 P597 I600 I638 P639 I655 A656 H657	V592-Y641 HydrophobicContact CG1-CD2 4.22Å; V592-Y641 HydrophobicContact CG1-CE2 3.64Å; N596-Y641 VanDerWaalsContact C-OH 3.24Å; N596-Y641 PolarHBondContact OD1-OH 3.08Å; N596-Y641 VanDerWaalsContact OD1-OH 3.08Å; P597-Y641 WeakPolarHBondContact CD-OH 3.36Å; P597-Y641 WeakPolarHBondContact O-CE1 3.38Å; P597-Y641 VanDerWaalsContact O-CZ 3.3Å; P597-Y641 PolarHBondContact O-OH 2.87Å; I600-Y641 HydrophobicContact CD1-CD1 4.18Å; I600-Y641 HydrophobicContact CD1-CE1 4.18Å; I600-Y641 HydrophobicContact CG1-CE1 4.43Å; I638-Y641 HydrophobicContact CB-CD2 3.98Å; I638-Y641 HydrophobicContact CD1-CD2 3.97Å; I638-Y641 HydrophobicContact CD1-CG 3.84Å; I638-Y641 HydrophobicContact CG1-CD2 4.22Å; I638-Y641 HydrophobicContact CG1-CG 4.34Å; I638-Y641 WeakPolarHBondContact O-CB 3.39Å; I638-Y641 PolarHBondContact O-N 2.86Å; P639-Y641 PolarHBondContact O-N 2.76Å; Y641-I655 HydrophobicContact CD1-CG2 4.05Å; Y641-I655 HydrophobicContact CG-CG2 4.26Å; Y641-A656 WeakPolarHBondContact CA-O 3.21Å; Y641-H657 HydrophobicContact CD1-CB 4.01Å; Y641-H657 HydrophobicContact CE1-CB 3.71Å
642	E	98.4	Very high	96.2	Very high	58 Å²	58	38.2 Å²	38.2	27%	0.271	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	161	172.8	-75.6	178	-162.4	0	0	110.3	A644 I655 A656 K658 K661 W666	E642-A644 PolarHBondContact O-N 2.84Å; E642-I655 CarbonylContact O-C 3.5Å; E642-I655 WeakPolarHBondContact O-CA 3.26Å; E642-A656 PolarHBondContact N-O 3.08Å; E642-A656 PolarHBondContact O-N 3.01Å; E642-K658 HydrophobicContact CG-CG 4.34Å; E642-K658 WeakPolarHBondContact OE1-CE 3.49Å; E642-K658 IonicContact OE1-NZ 3.5Å; E642-K661 IonicContact OE1-NZ 2.96Å; E642-K661 IonicContact OE2-NZ 3.99Å; E642-K661 PolarHBondContact OE2-NZ 2.9Å; E642-W666 HydrophobicContact CB-CH2 3.83Å; E642-W666 HydrophobicContact CB-CZ2 3.62Å
643	I	98.5	Very high	96.3	Very high	28 Å²	28	32.6 Å²	32.6	14%	0.144	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	120.8	174.2	-46.3	177.1	0	0	0	108.8	V631 R632 V635 L653 F706	V631-I643 HydrophobicContact CG1-CD1 3.69Å; V631-I643 HydrophobicContact CG1-CG1 3.72Å; V631-I643 HydrophobicContact CG1-CG2 4.49Å; R632-I643 HydrophobicContact CG-CD1 3.87Å; V635-I643 HydrophobicContact CG2-CG1 4.02Å; I643-L653 HydrophobicContact CG2-CD2 3.99Å; I643-F706 HydrophobicContact CB-CD1 4.26Å; I643-F706 HydrophobicContact CB-CG 4.35Å; I643-F706 HydrophobicContact CD1-CD1 4.47Å; I643-F706 HydrophobicContact CD1-CE1 4.19Å; I643-F706 HydrophobicContact CD1-CZ 4.43Å; I643-F706 HydrophobicContact CG2-CB 3.77Å; I643-F706 HydrophobicContact CG2-CD1 3.99Å; I643-F706 HydrophobicContact CG2-CD2 3.94Å; I643-F706 HydrophobicContact CG2-CG 3.61Å
644	A	98.3	Very high	96.5	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-45.7	-178.8	0	0	0	0	0	112.7	E642 L654 A656 W666 T668 L705 F706	E642-A644 PolarHBondContact O-N 2.84Å; A644-L654 HydrophobicContact CB-CD2 4.33Å; A644-L654 PolarHBondContact N-O 2.87Å; A644-A656 HydrophobicContact CB-CB 3.74Å; A644-W666 HydrophobicContact CB-CD2 3.76Å; A644-W666 HydrophobicContact CB-CE3 4.08Å; A644-W666 HydrophobicContact CB-CG 4.1Å; A644-W666 HydrophobicContact CB-CZ2 4.23Å; A644-W666 HydrophobicContact CB-CZ3 4.44Å; A644-T668 HydrophobicContact CB-CG2 3.86Å; A644-L705 WeakPolarHBondContact O-CA 3.49Å; A644-F706 PolarHBondContact O-N 3.07Å; A644-F706 VanDerWaalsContact O-N 3.14Å
645	C	98.4	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	157.9	-172.7	-53.4	0	0	0	0	111.5	F399 L654 A704	F399-C645 HydrophobicContact CD1-CB 3.52Å; F399-C645 HydrophobicContact CE1-CB 3.68Å; C645-L654 HydrophobicContact CB-CB 3.87Å; C645-L654 HydrophobicContact CB-CD2 4.19Å; C645-L654 PolarHBondContact N-O 3.13Å; C645-L654 PolarHBondContact O-N 3.37Å; C645-A704 VanDerWaalsContact CA-O 3.26Å; C645-A704 WeakPolarHBondContact CA-O 3.1Å; C645-A704 WeakPolarHBondContact CB-O 3.48Å
646	E	97.5	Very high	96.7	Very high	11 Å²	11	28 Å²	28	5%	0.051	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	153.2	164.9	63.8	-168.6	151.9	0	0	110.5	T398 H624 L653 F706 G707 R711 G712	T398-E646 WeakPolarHBondContact CG2-O 3.39Å; H624-E646 IonicContact NE2-OE2 2.64Å; H624-E646 PolarHBondContact NE2-OE2 3.46Å; E646-L653 HydrophobicContact CB-CD2 4.47Å; E646-L653 HydrophobicContact CB-CG 4.17Å; E646-F706 HydrophobicContact CB-CD2 3.94Å; E646-F706 VanDerWaalsContact CD-CD2 3.47Å; E646-F706 HydrophobicContact CG-CD2 4.02Å; E646-F706 WeakPolarHBondContact OE2-CD2 3.43Å; E646-F706 WeakPolarHBondContact OE2-CE2 3.42Å; E646-G707 PolarHBondContact OE1-N 3.33Å; E646-R711 HydrophobicContact CG-CB 4.46Å; E646-G712 WeakPolarHBondContact O-CA 3.5Å
647	H	96.5	Very high	96.8	Very high	3 Å²	3	22.8 Å²	22.8	1%	0.014	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	89.6	165.4	-174.3	-113.2	0	0	0	108.3	W383 T398 F399 H649 S650 N651 C652 G712	W383-H647 AromaticContact CH2-CE1 3.86Å; T398-H647 HydrophobicContact CG2-CB 4.46Å; T398-H647 PolarHBondContact OG1-CD2 2.66Å; T398-H647 VanDerWaalsContact OG1-CD2 3.29Å; F399-H647 HydrophobicContact CE1-CB 4.26Å; H647-H649 PolarHBondContact O-N 3.41Å; H647-S650 PolarHBondContact CE1-OG 3.03Å; H647-S650 VanDerWaalsContact CE1-OG 3.23Å; H647-S650 WeakPolarHBondContact ND1-CB 3.27Å; H647-S650 PolarHBondContact ND1-N 3.44Å; H647-S650 PolarHBondContact ND1-OG 2.85Å; H647-S650 PolarHBondContact O-N 2.97Å; H647-S650 VanDerWaalsContact O-N 3.07Å; H647-N651 PolarHBondContact O-N 3.02Å; H647-C652 PolarHBondContact N-O 3.19Å; H647-C652 PolarHBondContact O-N 3.09Å; H647-G712 PolarHBondContact CD2-O 2.96Å; H647-G712 VanDerWaalsContact CD2-O 3.29Å
648	E	93.9	Very high	96.8	Very high	41 Å²	41	24.3 Å²	24.3	19%	0.192	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-53.1	-42.3	-175.1	178.6	-165.9	-112.6	0	0	111.1	S650 N651 R711 R719	E648-S650 PolarHBondContact O-N 2.91Å; E648-S650 VanDerWaalsContact O-N 3.17Å; E648-N651 PolarHBondContact O-N 3.17Å; E648-R711 HydrophobicContact CB-CB 3.97Å; E648-R711 PolarHBondContact N-O 3.23Å; E648-R711 VanDerWaalsContact N-O 3.16Å; E648-R711 VanDerWaalsContact OE1-CD 3.29Å; E648-R711 WeakPolarHBondContact OE1-CD 3.15Å; E648-R711 IonicContact OE1-CZ 3.91Å; E648-R711 IonicContact OE1-NE 3.25Å; E648-R711 IonicContact OE1-NH1 3.07Å; E648-R711 PolarHBondContact OE1-NH1 3.46Å; E648-R719 IonicContact OE2-CZ 3.65Å; E648-R719 IonicContact OE2-NH1 3.84Å; E648-R719 PolarHBondContact OE2-NH1 2.95Å; E648-R719 IonicContact OE2-NH2 3.91Å; E648-R719 PolarHBondContact OE2-NH2 3.36Å
649	H	89.8	Confident	96.8	Very high	48 Å²	48	27.4 Å²	27.4	22%	0.222	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-65.9	-22.4	-175.4	-168.1	43.7	0	0	0	114.1	W383 H647	W383-H649 AromaticContact CH2-CD2 3.37Å; W383-H649 WeakPolarHBondContact CH2-CD2 3.35Å; W383-H649 AromaticContact CH2-NE2 3.93Å; W383-H649 AromaticContact CZ3-CD2 3.75Å; H647-H649 PolarHBondContact O-N 3.41Å
650	S	90.9	Very high	96.9	Very high	16 Å²	16	23.5 Å²	23.5	11%	0.112	11%	0.113	C	C	.	.	G	3₁₀ helix	trans	-102.1	5.4	171.4	-62.9	0	0	0	0	113.5	W383 H647 E648 C652	W383-S650 WeakPolarHBondContact CZ2-OG 3.31Å; H647-S650 PolarHBondContact CE1-OG 3.03Å; H647-S650 VanDerWaalsContact CE1-OG 3.23Å; H647-S650 WeakPolarHBondContact ND1-CB 3.27Å; H647-S650 PolarHBondContact ND1-N 3.44Å; H647-S650 PolarHBondContact ND1-OG 2.85Å; H647-S650 PolarHBondContact O-N 2.97Å; H647-S650 VanDerWaalsContact O-N 3.07Å; E648-S650 PolarHBondContact O-N 2.91Å; E648-S650 VanDerWaalsContact O-N 3.17Å; S650-C652 PolarHBondContact O-N 3.2Å
651	N	93.8	Very high	96.9	Very high	21 Å²	21	23 Å²	23	11%	0.112	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	45	57.5	-169.8	-167.4	12.1	0	0	0	112.7	G604 P622 H624 V627 H647 E648	G604-N651 PolarHBondContact N-O 2.96Å; P622-N651 PolarHBondContact O-ND2 3.27Å; H624-N651 VanDerWaalsContact CA-OD1 3.26Å; H624-N651 WeakPolarHBondContact CA-OD1 3.43Å; H624-N651 PolarHBondContact ND1-OD1 3.26Å; V627-N651 WeakPolarHBondContact CG2-ND2 3.36Å; V627-N651 WeakPolarHBondContact CG2-OD1 3.39Å; H647-N651 PolarHBondContact O-N 3.02Å; E648-N651 PolarHBondContact O-N 3.17Å
652	C	96.3	Very high	96.8	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	138.5	-173.5	-161.8	0	0	0	0	110.8	Y395 F399 V602 K603 H647 S650	Y395-C652 HydrophobicContact CD2-CB 4.46Å; Y395-C652 HydrophobicContact CG-CB 4.17Å; F399-C652 HydrophobicContact CE2-CB 4.46Å; F399-C652 HydrophobicContact CZ-CB 4.13Å; V602-C652 WeakPolarHBondContact O-CA 3.44Å; K603-C652 HydrophobicContact CG-CB 4.36Å; H647-C652 PolarHBondContact N-O 3.19Å; H647-C652 PolarHBondContact O-N 3.09Å; S650-C652 PolarHBondContact O-N 3.2Å
653	L	98.2	Very high	96.6	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	150.8	171.1	-73.9	96.8	0	0	0	110.7	V602 V627 V628 V631 I643 E646 F706	V602-L653 PolarHBondContact N-O 3.11Å; V602-L653 PolarHBondContact O-N 3.48Å; V627-L653 HydrophobicContact CB-CD1 4.04Å; V627-L653 HydrophobicContact CG1-CD1 3.59Å; V628-L653 HydrophobicContact CG2-CD1 4.02Å; V628-L653 HydrophobicContact CG2-CD2 4.06Å; V631-L653 HydrophobicContact CB-CD2 4.34Å; V631-L653 HydrophobicContact CG1-CB 4.41Å; V631-L653 HydrophobicContact CG1-CD2 4.11Å; V631-L653 HydrophobicContact CG2-CB 4.08Å; V631-L653 HydrophobicContact CG2-CD1 4.4Å; V631-L653 HydrophobicContact CG2-CD2 4.48Å; I643-L653 HydrophobicContact CG2-CD2 3.99Å; E646-L653 HydrophobicContact CB-CD2 4.47Å; E646-L653 HydrophobicContact CB-CG 4.17Å; L653-F706 HydrophobicContact CD2-CD2 4.04Å; L653-F706 HydrophobicContact CD2-CE2 3.87Å
654	L	98.7	Very high	96.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.2	173.7	-176.2	67.7	0	0	0	109.4	F399 Y400 F599 E601 A644 C645 T668	F399-L654 HydrophobicContact CB-CD2 3.93Å; F399-L654 HydrophobicContact CD1-CB 3.95Å; F399-L654 HydrophobicContact CD1-CD2 4.37Å; F399-L654 HydrophobicContact CD2-CB 3.78Å; F399-L654 HydrophobicContact CD2-CD1 3.92Å; F399-L654 HydrophobicContact CD2-CD2 4.33Å; F399-L654 HydrophobicContact CD2-CG 4.23Å; F399-L654 HydrophobicContact CE1-CB 3.91Å; F399-L654 HydrophobicContact CE2-CB 3.72Å; F399-L654 HydrophobicContact CE2-CD1 4.36Å; F399-L654 HydrophobicContact CG-CB 3.92Å; F399-L654 HydrophobicContact CG-CD1 4.4Å; F399-L654 HydrophobicContact CG-CD2 3.97Å; F399-L654 HydrophobicContact CG-CG 4.33Å; F399-L654 HydrophobicContact CZ-CB 3.8Å; Y400-L654 HydrophobicContact CE1-CD1 4.21Å; Y400-L654 HydrophobicContact CE1-CD2 4.26Å; Y400-L654 WeakPolarHBondContact OH-CD1 3.33Å; F599-L654 HydrophobicContact CB-CD1 3.84Å; F599-L654 HydrophobicContact CD1-CD1 4.13Å; F599-L654 HydrophobicContact CD1-CD2 4.37Å; F599-L654 HydrophobicContact CD1-CG 4.46Å; F599-L654 HydrophobicContact CG-CD1 4.29Å; E601-L654 HydrophobicContact CG-CD1 4.34Å; A644-L654 HydrophobicContact CB-CD2 4.33Å; A644-L654 PolarHBondContact N-O 2.87Å; C645-L654 HydrophobicContact CB-CB 3.87Å; C645-L654 HydrophobicContact CB-CD2 4.19Å; C645-L654 PolarHBondContact N-O 3.13Å; C645-L654 PolarHBondContact O-N 3.37Å; L654-T668 HydrophobicContact CD2-CG2 3.97Å
655	I	98.7	Very high	96.5	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	133.8	162.8	-52.8	166.5	0	0	0	107	F599 I600 V602 V631 L634 V635 I638 Y641 E642	F599-I655 CarbonylContact C-O 3.24Å; F599-I655 WeakPolarHBondContact CA-O 3.35Å; I600-I655 HydrophobicContact CB-CB 4.09Å; I600-I655 HydrophobicContact CB-CD1 4.35Å; I600-I655 HydrophobicContact CD1-CG2 4.44Å; I600-I655 HydrophobicContact CG2-CD1 4.44Å; I600-I655 PolarHBondContact N-O 3.36Å; I600-I655 PolarHBondContact O-N 3.12Å; V602-I655 HydrophobicContact CG2-CD1 4.1Å; V631-I655 HydrophobicContact CG1-CD1 3.87Å; V631-I655 HydrophobicContact CG1-CG1 3.68Å; L634-I655 HydrophobicContact CD2-CD1 3.99Å; V635-I655 HydrophobicContact CG2-CB 4.5Å; V635-I655 HydrophobicContact CG2-CD1 3.89Å; V635-I655 HydrophobicContact CG2-CG1 3.94Å; V635-I655 HydrophobicContact CG2-CG2 3.78Å; I638-I655 HydrophobicContact CD1-CG2 4.36Å; Y641-I655 HydrophobicContact CD1-CG2 4.05Å; Y641-I655 HydrophobicContact CG-CG2 4.26Å; E642-I655 CarbonylContact O-C 3.5Å; E642-I655 WeakPolarHBondContact O-CA 3.26Å
656	A	98.6	Very high	96.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	144.8	178.9	0	0	0	0	0	110.8	F599 Y641 E642 A644 K658 W666 T668	F599-A656 HydrophobicContact CD1-CB 3.75Å; F599-A656 HydrophobicContact CE1-CB 3.89Å; Y641-A656 WeakPolarHBondContact CA-O 3.21Å; E642-A656 PolarHBondContact N-O 3.08Å; E642-A656 PolarHBondContact O-N 3.01Å; A644-A656 HydrophobicContact CB-CB 3.74Å; A656-K658 PolarHBondContact O-N 3Å; A656-W666 HydrophobicContact CB-CE3 4.19Å; A656-W666 HydrophobicContact CB-CH2 4.17Å; A656-W666 HydrophobicContact CB-CZ3 3.69Å; A656-T668 HydrophobicContact CB-CG2 4.16Å
657	H	98.5	Very high	96.5	Very high	26 Å²	26	37.1 Å²	37.1	12%	0.12	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	135.7	170.5	-170.9	-31.3	0	0	0	109.4	N596 D598 D640 Y641 K659 F660	N596-H657 PolarHBondContact OD1-CD2 2.84Å; D598-H657 PolarHBondContact O-N 3.01Å; D640-H657 PolarHBondContact O-ND1 3.06Å; D640-H657 VanDerWaalsContact O-ND1 3.16Å; Y641-H657 HydrophobicContact CD1-CB 4.01Å; Y641-H657 HydrophobicContact CE1-CB 3.71Å; H657-K659 HydrophobicContact CB-CD 4.47Å; H657-K659 HydrophobicContact CB-CG 4.13Å; H657-K659 PolarHBondContact ND1-N 3.47Å; H657-K659 PolarHBondContact O-N 2.8Å; H657-F660 PolarHBondContact O-N 3.03Å
658	K	97.9	Very high	96.6	Very high	85 Å²	85	37 Å²	37	37%	0.37	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-51.8	-17.9	178.4	-71.3	173.2	-179.2	-177	0	115.2	P639 D640 E642 A656 F660 K661	P639-K658 WeakPolarHBondContact O-CE 3.29Å; P639-K658 PolarHBondContact O-NZ 3.44Å; D640-K658 WeakPolarHBondContact O-CB 3.4Å; D640-K658 VanDerWaalsContact O-CG 3.3Å; D640-K658 WeakPolarHBondContact O-CG 3.49Å; D640-K658 PolarHBondContact O-N 3.15Å; E642-K658 HydrophobicContact CG-CG 4.34Å; E642-K658 WeakPolarHBondContact OE1-CE 3.49Å; E642-K658 IonicContact OE1-NZ 3.5Å; A656-K658 PolarHBondContact O-N 3Å; K658-F660 PolarHBondContact O-N 3.42Å; K658-F660 VanDerWaalsContact O-N 3.16Å; K658-K661 WeakPolarHBondContact O-CB 3.44Å; K658-K661 PolarHBondContact O-N 3.06Å
659	K	97	Very high	96.8	Very high	66 Å²	66	37.5 Å²	37.5	29%	0.287	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-63.9	-13.9	172.9	75.8	-172.7	179.1	-174.6	0	114.3	D598 H657	D598-K659 WeakPolarHBondContact OD1-CE 3.42Å; D598-K659 IonicContact OD1-NZ 2.98Å; D598-K659 PolarHBondContact OD1-NZ 3.05Å; H657-K659 HydrophobicContact CB-CD 4.47Å; H657-K659 HydrophobicContact CB-CG 4.13Å; H657-K659 PolarHBondContact ND1-N 3.47Å; H657-K659 PolarHBondContact O-N 2.8Å
660	F	98.3	Very high	97.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-97.1	7.2	170.6	-64.8	-84.4	0	0	0	113.1	D598 F599 H657 K658 W666 W667 A693 M697	D598-F660 HydrophobicContact CB-CE2 3.56Å; D598-F660 HydrophobicContact CB-CZ 3.89Å; D598-F660 WeakPolarHBondContact OD1-CE2 3.46Å; F599-F660 HydrophobicContact CE1-CD1 4.46Å; F599-F660 AromaticContact CE1-CD2 3.92Å; F599-F660 HydrophobicContact CE1-CD2 3.92Å; F599-F660 HydrophobicContact CE1-CE2 4.18Å; F599-F660 HydrophobicContact CE1-CG 4.07Å; F599-F660 HydrophobicContact CE2-CE1 4.34Å; F599-F660 HydrophobicContact CE2-CE2 4.05Å; F599-F660 AromaticContact CE2-CZ 3.91Å; F599-F660 HydrophobicContact CE2-CZ 3.91Å; F599-F660 AromaticContact CZ-CD1 3.86Å; F599-F660 HydrophobicContact CZ-CD1 3.86Å; F599-F660 AromaticContact CZ-CD2 3.72Å; F599-F660 HydrophobicContact CZ-CD2 3.72Å; F599-F660 AromaticContact CZ-CE1 3.72Å; F599-F660 HydrophobicContact CZ-CE1 3.72Å; F599-F660 AromaticContact CZ-CE2 3.59Å; F599-F660 HydrophobicContact CZ-CE2 3.59Å; F599-F660 AromaticContact CZ-CG 3.85Å; F599-F660 HydrophobicContact CZ-CG 3.85Å; F599-F660 AromaticContact CZ-CZ 3.59Å; F599-F660 HydrophobicContact CZ-CZ 3.59Å; H657-F660 PolarHBondContact O-N 3.03Å; K658-F660 PolarHBondContact O-N 3.42Å; K658-F660 VanDerWaalsContact O-N 3.16Å; F660-W666 HydrophobicContact CB-CE3 4.44Å; F660-W666 HydrophobicContact CB-CZ3 4.48Å; F660-W667 WeakPolarHBondContact CD1-O 3.43Å; F660-W667 PolarHBondContact O-N 3.35Å; F660-A693 HydrophobicContact CE1-CB 4.36Å; F660-A693 HydrophobicContact CZ-CB 3.88Å; F660-M697 HydrophobicContact CD1-CB 4.49Å; F660-M697 HydrophobicContact CD1-CE 3.82Å; F660-M697 HydrophobicContact CD1-SD 4.45Å; F660-M697 HydrophobicContact CE1-CE 4.08Å
661	K	97.7	Very high	97.6	Very high	73 Å²	73	37.9 Å²	37.9	32%	0.317	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	95.2	175.2	-158.7	177.5	-170.6	179.2	0	109.4	E642 K658 G664 E665 W666	E642-K661 IonicContact OE1-NZ 2.96Å; E642-K661 IonicContact OE2-NZ 3.99Å; E642-K661 PolarHBondContact OE2-NZ 2.9Å; K658-K661 WeakPolarHBondContact O-CB 3.44Å; K658-K661 PolarHBondContact O-N 3.06Å; K661-G664 WeakPolarHBondContact CE-O 3.35Å; K661-E665 CarbonylContact C-O 3.51Å; K661-E665 VanDerWaalsContact CA-O 3.26Å; K661-E665 WeakPolarHBondContact CA-O 3.42Å; K661-W666 HydrophobicContact CB-CD2 4.37Å; K661-W666 HydrophobicContact CB-CE3 3.87Å; K661-W666 HydrophobicContact CB-CH2 4.05Å; K661-W666 HydrophobicContact CB-CZ3 3.7Å; K661-W666 HydrophobicContact CD-CH2 4.07Å; K661-W666 HydrophobicContact CD-CZ2 3.83Å; K661-W666 HydrophobicContact CD-CZ3 4.5Å; K661-W666 HydrophobicContact CG-CD2 4.18Å; K661-W666 HydrophobicContact CG-CE3 4.2Å; K661-W666 HydrophobicContact CG-CH2 4.37Å; K661-W666 HydrophobicContact CG-CZ2 4.33Å; K661-W666 HydrophobicContact CG-CZ3 4.3Å
662	I	97	Very high	97.8	Very high	88 Å²	88	38.9 Å²	38.9	45%	0.451	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.4	-176	-56.3	179.8	0	0	0	108.4	G664 E665 W667 M697	I662-G664 PolarHBondContact O-N 3.21Å; I662-E665 PolarHBondContact N-O 3.36Å; I662-E665 PolarHBondContact O-N 3.26Å; I662-W667 HydrophobicContact CD1-CG 4.38Å; I662-M697 HydrophobicContact CD1-CE 4.2Å; I662-M697 HydrophobicContact CD1-SD 3.4Å; I662-M697 WeakPolarHBondContact CD1-SD 3.16Å; I662-M697 HydrophobicContact CG1-SD 4.38Å
663	G	95.1	Very high	97.9	Very high	83 Å²	83	44.6 Å²	44.6	86%	0.856	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	27	-179.4	0	0	0	0	0	113.8	E665	G663-E665 VanDerWaalsContact C-N 3.25Å; G663-E665 PolarHBondContact O-N 3.39Å
664	G	95.3	Very high	97.9	Very high	57 Å²	57	48.8 Å²	48.8	59%	0.588	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-6.1	-174.9	0	0	0	0	0	114.7	K661 I662	K661-G664 WeakPolarHBondContact CE-O 3.35Å; I662-G664 PolarHBondContact O-N 3.21Å
665	E	97.8	Very high	97.9	Very high	76 Å²	76	48.8 Å²	48.8	36%	0.355	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	147.2	179.8	-56.7	-167.9	137.2	0	0	111.5	K661 I662 G663 W667 R699	K661-E665 CarbonylContact C-O 3.51Å; K661-E665 VanDerWaalsContact CA-O 3.26Å; K661-E665 WeakPolarHBondContact CA-O 3.42Å; I662-E665 PolarHBondContact N-O 3.36Å; I662-E665 PolarHBondContact O-N 3.26Å; G663-E665 VanDerWaalsContact C-N 3.25Å; G663-E665 PolarHBondContact O-N 3.39Å; E665-W667 VanDerWaalsContact O-CD1 3.31Å; E665-R699 IonicContact OE1-CZ 3.78Å; E665-R699 IonicContact OE1-NE 3.9Å; E665-R699 IonicContact OE1-NH1 2.79Å; E665-R699 PolarHBondContact OE1-NH1 3.09Å; E665-R699 IonicContact OE1-NH2 2.63Å; E665-R699 PolarHBondContact OE1-NH2 3.48Å; E665-R699 IonicContact OE2-CZ 3.26Å; E665-R699 IonicContact OE2-NE 2.65Å; E665-R699 PolarHBondContact OE2-NE 3.03Å; E665-R699 IonicContact OE2-NH1 3.03Å; E665-R699 PolarHBondContact OE2-NH1 3.46Å; E665-R699 IonicContact OE2-NH2 3.56Å
666	W	98.4	Very high	97.8	Very high	23 Å²	23	50.1 Å²	50.1	9%	0.087	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	137.4	177.9	-74.2	115.2	0	0	0	112.2	E642 A644 A656 F660 K661 T668 T700 L705	E642-W666 HydrophobicContact CB-CH2 3.83Å; E642-W666 HydrophobicContact CB-CZ2 3.62Å; A644-W666 HydrophobicContact CB-CD2 3.76Å; A644-W666 HydrophobicContact CB-CE3 4.08Å; A644-W666 HydrophobicContact CB-CG 4.1Å; A644-W666 HydrophobicContact CB-CZ2 4.23Å; A644-W666 HydrophobicContact CB-CZ3 4.44Å; A656-W666 HydrophobicContact CB-CE3 4.19Å; A656-W666 HydrophobicContact CB-CH2 4.17Å; A656-W666 HydrophobicContact CB-CZ3 3.69Å; F660-W666 HydrophobicContact CB-CE3 4.44Å; F660-W666 HydrophobicContact CB-CZ3 4.48Å; K661-W666 HydrophobicContact CB-CD2 4.37Å; K661-W666 HydrophobicContact CB-CE3 3.87Å; K661-W666 HydrophobicContact CB-CH2 4.05Å; K661-W666 HydrophobicContact CB-CZ3 3.7Å; K661-W666 HydrophobicContact CD-CH2 4.07Å; K661-W666 HydrophobicContact CD-CZ2 3.83Å; K661-W666 HydrophobicContact CD-CZ3 4.5Å; K661-W666 HydrophobicContact CG-CD2 4.18Å; K661-W666 HydrophobicContact CG-CE3 4.2Å; K661-W666 HydrophobicContact CG-CH2 4.37Å; K661-W666 HydrophobicContact CG-CZ2 4.33Å; K661-W666 HydrophobicContact CG-CZ3 4.3Å; W666-T668 HydrophobicContact CB-CG2 4.39Å; W666-T668 HydrophobicContact CE3-CG2 4.38Å; W666-T700 WeakPolarHBondContact O-CB 3.36Å; W666-T700 PolarHBondContact O-N 2.88Å; W666-T700 PolarHBondContact O-OG1 3.19Å; W666-L705 HydrophobicContact CB-CD2 4.01Å; W666-L705 HydrophobicContact CG-CD2 4.28Å
667	W	98.6	Very high	97.8	Very high	74 Å²	74	54.9 Å²	54.9	28%	0.28	29%	0.287	S	S	.	.			trans	-123.8	54.7	178.3	-67.7	71.4	0	0	0	110.6	F660 I662 E665 M697 A698 R699	F660-W667 WeakPolarHBondContact CD1-O 3.43Å; F660-W667 PolarHBondContact O-N 3.35Å; I662-W667 HydrophobicContact CD1-CG 4.38Å; E665-W667 VanDerWaalsContact O-CD1 3.31Å; W667-M697 HydrophobicContact CB-CB 4.18Å; W667-M697 HydrophobicContact CB-CG 4.03Å; W667-M697 HydrophobicContact CB-SD 3.43Å; W667-M697 WeakPolarHBondContact CB-SD 3.26Å; W667-M697 HydrophobicContact CD2-SD 4.36Å; W667-M697 HydrophobicContact CE3-CG 4.09Å; W667-M697 HydrophobicContact CE3-SD 4.41Å; W667-M697 HydrophobicContact CG-SD 3.97Å; W667-A698 CarbonylContact C-O 3.59Å; W667-A698 VanDerWaalsContact C-O 3.24Å; W667-A698 VanDerWaalsContact CA-O 3.22Å; W667-A698 WeakPolarHBondContact CA-O 3.36Å; W667-R699 HydrophobicContact CD2-CB 4.16Å; W667-R699 HydrophobicContact CE3-CB 4.17Å; W667-R699 VanDerWaalsContact CE3-N 3.29Å; W667-R699 HydrophobicContact CH2-CB 4.22Å; W667-R699 HydrophobicContact CZ2-CB 4.21Å; W667-R699 HydrophobicContact CZ3-CB 4.19Å
668	T	98.3	Very high	97.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.285	C	S	.	.			trans	-85	-19	-179.1	69.2	0	0	0	0	112.8	F399 R569 F599 A644 L654 A656 W666 T700	F399-T668 CarbonylContact O-C 3.36Å; F399-T668 WeakPolarHBondContact O-CB 3.45Å; F399-T668 PolarHBondContact O-OG1 3.2Å; R569-T668 PolarHBondContact NH2-O 3.37Å; F599-T668 HydrophobicContact CE1-CG2 4.05Å; A644-T668 HydrophobicContact CB-CG2 3.86Å; L654-T668 HydrophobicContact CD2-CG2 3.97Å; A656-T668 HydrophobicContact CB-CG2 4.16Å; W666-T668 HydrophobicContact CB-CG2 4.39Å; W666-T668 HydrophobicContact CE3-CG2 4.38Å; T668-T700 WeakPolarHBondContact CB-OG1 3.39Å; T668-T700 PolarHBondContact N-OG1 3.13Å; T668-T700 PolarHBondContact OG1-OG1 3.12Å
669	W	98.5	Very high	97.8	Very high	52 Å²	52	50.6 Å²	50.6	20%	0.197	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	162.3	177.1	-84.7	30.7	0	0	0	111.7	H397 T398 A698 P701 W703	H397-W669 VanDerWaalsContact O-CZ2 3.28Å; H397-W669 WeakPolarHBondContact O-CZ2 3.49Å; T398-W669 PolarHBondContact O-NE1 3.13Å; W669-A698 HydrophobicContact CB-CB 3.87Å; W669-A698 WeakPolarHBondContact CB-O 3.23Å; W669-A698 PolarHBondContact N-O 2.96Å; W669-A698 VanDerWaalsContact N-O 3.1Å; W669-A698 PolarHBondContact O-N 3.33Å; W669-P701 VanDerWaalsContact CD2-CD 3.49Å; W669-P701 HydrophobicContact CD2-CG 3.94Å; W669-P701 HydrophobicContact CE3-CG 4.03Å; W669-P701 HydrophobicContact CH2-CG 3.52Å; W669-P701 HydrophobicContact CZ2-CG 3.39Å; W669-P701 HydrophobicContact CZ3-CG 3.82Å; W669-W703 AromaticContact CH2-CZ2 3.98Å; W669-W703 HydrophobicContact CH2-CZ2 3.98Å; W669-W703 AromaticContact CZ2-CH2 3.92Å; W669-W703 HydrophobicContact CZ2-CH2 3.92Å; W669-W703 AromaticContact CZ2-CZ2 3.7Å; W669-W703 HydrophobicContact CZ2-CZ2 3.7Å
670	I	98.6	Very high	97.8	Very high	7 Å²	7	51.8 Å²	51.8	4%	0.036	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	125.3	-177.1	-58.8	178.2	0	0	0	107.8	Y400 F509 T527 Y672 Y696	Y400-I670 PolarHBondContact O-N 3.42Å; F509-I670 HydrophobicContact CE1-CD1 3.94Å; F509-I670 HydrophobicContact CZ-CD1 4.3Å; T527-I670 HydrophobicContact CG2-CD1 4.24Å; T527-I670 HydrophobicContact CG2-CG2 4.02Å; I670-Y672 HydrophobicContact CB-CD1 4.4Å; I670-Y672 HydrophobicContact CB-CE1 3.9Å; I670-Y672 HydrophobicContact CB-CE2 4.12Å; I670-Y672 HydrophobicContact CD1-CE1 4.26Å; I670-Y672 HydrophobicContact CG2-CD1 3.78Å; I670-Y672 HydrophobicContact CG2-CE1 3.64Å; I670-Y672 HydrophobicContact CG2-CG 4.27Å; I670-Y672 WeakPolarHBondContact O-CD2 3.15Å; I670-Y672 PolarHBondContact O-N 3.02Å; I670-Y672 VanDerWaalsContact O-N 3.15Å; I670-Y696 HydrophobicContact CG2-CD2 3.86Å; I670-Y696 HydrophobicContact CG2-CE2 4.23Å
671	D	98.4	Very high	97.8	Very high	64 Å²	64	55.1 Å²	55.1	34%	0.342	29%	0.291	S	S	.	.			trans	-78.5	93.6	163.9	-172	-25.4	0	0	0	108.5	N673 R674 F675 Y696 A698	D671-N673 VanDerWaalsContact C-N 3.28Å; D671-N673 PolarHBondContact O-N 3.12Å; D671-N673 PolarHBondContact OD1-N 3.21Å; D671-N673 VanDerWaalsContact OD1-N 3.1Å; D671-R674 HydrophobicContact CB-CB 3.79Å; D671-R674 PolarHBondContact O-N 3.49Å; D671-R674 PolarHBondContact OD1-N 3.43Å; D671-F675 PolarHBondContact O-N 3.43Å; D671-Y696 PolarHBondContact N-O 2.97Å; D671-A698 HydrophobicContact CB-CB 4.29Å
672	Y	98	Very high	97.8	Very high	43 Å²	43	53 Å²	53	17%	0.169	28%	0.281	C	S	.	.	H	α-helix	trans	-63.1	-34.9	-178	-65.7	-72.5	0	0	0	112.7	Y400 I402 H479 F509 T527 I670 F675 Q676	Y400-Y672 PolarHBondContact O-OH 3.36Å; I402-Y672 WeakPolarHBondContact CG1-OH 3.34Å; H479-Y672 AromaticContact CE1-CD1 3.88Å; H479-Y672 AromaticContact CE1-CE1 3.56Å; H479-Y672 AromaticContact CE1-CE2 3.73Å; H479-Y672 AromaticContact CE1-CZ 3.5Å; H479-Y672 AromaticContact ND1-CE1 3.7Å; F509-Y672 AromaticContact CZ-CE1 3.94Å; F509-Y672 HydrophobicContact CZ-CE1 3.94Å; T527-Y672 HydrophobicContact CG2-CE1 4.5Å; I670-Y672 HydrophobicContact CB-CD1 4.4Å; I670-Y672 HydrophobicContact CB-CE1 3.9Å; I670-Y672 HydrophobicContact CB-CE2 4.12Å; I670-Y672 HydrophobicContact CD1-CE1 4.26Å; I670-Y672 HydrophobicContact CG2-CD1 3.78Å; I670-Y672 HydrophobicContact CG2-CE1 3.64Å; I670-Y672 HydrophobicContact CG2-CG 4.27Å; I670-Y672 WeakPolarHBondContact O-CD2 3.15Å; I670-Y672 PolarHBondContact O-N 3.02Å; I670-Y672 VanDerWaalsContact O-N 3.15Å; Y672-F675 PolarHBondContact O-N 3.35Å; Y672-Q676 VanDerWaalsContact O-CG 3.32Å; Y672-Q676 WeakPolarHBondContact O-CG 3.27Å; Y672-Q676 PolarHBondContact O-N 3.48Å; Y672-Q676 VanDerWaalsContact O-N 3.08Å
673	N	97.8	Very high	97.7	Very high	120 Å²	120	51.3 Å²	51.3	64%	0.642	27%	0.271	S	S	*	.	H	α-helix	trans	-68.4	-46.1	179.3	-68.6	-30.9	0	0	0	109.7	D671 F675 Q676 E677	D671-N673 VanDerWaalsContact C-N 3.28Å; D671-N673 PolarHBondContact O-N 3.12Å; D671-N673 PolarHBondContact OD1-N 3.21Å; D671-N673 VanDerWaalsContact OD1-N 3.1Å; N673-F675 VanDerWaalsContact C-N 3.31Å; N673-F675 PolarHBondContact O-N 3.5Å; N673-Q676 WeakPolarHBondContact O-CB 3.41Å; N673-Q676 PolarHBondContact O-N 3.45Å; N673-E677 PolarHBondContact O-N 2.92Å; N673-E677 VanDerWaalsContact O-N 3.08Å
674	R	98.3	Very high	97.8	Very high	87 Å²	87	53.1 Å²	53.1	33%	0.328	26%	0.261	S	S	.	.	H	α-helix	trans	-61.5	-39.7	176.4	-173.9	56.8	-178.7	157	4.3	112.3	D671 Q676 E677 L678 D695	D671-R674 HydrophobicContact CB-CB 3.79Å; D671-R674 PolarHBondContact O-N 3.49Å; D671-R674 PolarHBondContact OD1-N 3.43Å; R674-Q676 VanDerWaalsContact C-N 3.33Å; R674-Q676 PolarHBondContact O-N 2.96Å; R674-E677 WeakPolarHBondContact CD-OE2 3.35Å; R674-E677 IonicContact CZ-OE2 3.11Å; R674-E677 IonicContact NH1-OE2 4Å; R674-E677 PolarHBondContact NH1-OE2 2.86Å; R674-E677 PolarHBondContact O-N 3.39Å; R674-L678 HydrophobicContact CG-CD1 4.11Å; R674-L678 VanDerWaalsContact O-CG 3.27Å; R674-L678 WeakPolarHBondContact O-CG 3.39Å; R674-L678 PolarHBondContact O-N 3.33Å; R674-D695 WeakPolarHBondContact CG-O 3.39Å
675	F	98.3	Very high	97.8	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-58.7	-43.4	172.3	173.4	-93.5	0	0	0	112.1	H502 T527 D671 Y672 N673 E677 L678 I679 F691 Y696	H502-F675 AromaticContact CD2-CE1 3.78Å; H502-F675 AromaticContact CE1-CZ 3.96Å; H502-F675 AromaticContact NE2-CE1 3.76Å; H502-F675 AromaticContact NE2-CZ 3.68Å; T527-F675 HydrophobicContact CG2-CD1 4.2Å; T527-F675 HydrophobicContact CG2-CD2 4.1Å; T527-F675 HydrophobicContact CG2-CE1 4.38Å; T527-F675 HydrophobicContact CG2-CE2 4.27Å; T527-F675 HydrophobicContact CG2-CG 4.08Å; T527-F675 HydrophobicContact CG2-CZ 4.42Å; T527-F675 WeakPolarHBondContact OG1-CE1 3.37Å; T527-F675 WeakPolarHBondContact OG1-CZ 3.32Å; D671-F675 PolarHBondContact O-N 3.43Å; Y672-F675 PolarHBondContact O-N 3.35Å; N673-F675 VanDerWaalsContact C-N 3.31Å; N673-F675 PolarHBondContact O-N 3.5Å; F675-E677 VanDerWaalsContact C-N 3.32Å; F675-E677 PolarHBondContact O-N 2.75Å; F675-L678 PolarHBondContact O-N 3.3Å; F675-I679 HydrophobicContact CE1-CB 4.4Å; F675-I679 HydrophobicContact CE1-CG2 4.23Å; F675-I679 HydrophobicContact CZ-CB 4.28Å; F675-I679 HydrophobicContact CZ-CG1 4.5Å; F675-I679 WeakPolarHBondContact O-CG2 3.49Å; F675-I679 PolarHBondContact O-N 2.99Å; F675-F691 HydrophobicContact CD2-CE2 4.01Å; F675-F691 HydrophobicContact CD2-CZ 4.32Å; F675-F691 AromaticContact CE2-CE2 3.9Å; F675-F691 HydrophobicContact CE2-CE2 3.9Å; F675-F691 AromaticContact CE2-CZ 3.87Å; F675-F691 HydrophobicContact CE2-CZ 3.87Å; F675-Y696 HydrophobicContact CB-CD2 4Å; F675-Y696 HydrophobicContact CB-CG 4.15Å; F675-Y696 HydrophobicContact CD2-CD1 4.47Å; F675-Y696 HydrophobicContact CD2-CD2 4.08Å; F675-Y696 HydrophobicContact CD2-CE1 4.36Å; F675-Y696 AromaticContact CD2-CE2 3.95Å; F675-Y696 HydrophobicContact CD2-CE2 3.95Å; F675-Y696 HydrophobicContact CD2-CG 4.34Å; F675-Y696 HydrophobicContact CG-CD2 4.46Å
676	Q	97.9	Very high	97.7	Very high	28 Å²	28	52 Å²	52	13%	0.131	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-35	178.8	-64.8	-51.5	-31.5	0	0	112.5	H502 K505 Y672 N673 R674 I679 Q680	H502-Q676 PolarHBondContact O-OE1 2.94Å; K505-Q676 HydrophobicContact CB-CG 4.38Å; Y672-Q676 VanDerWaalsContact O-CG 3.32Å; Y672-Q676 WeakPolarHBondContact O-CG 3.27Å; Y672-Q676 PolarHBondContact O-N 3.48Å; Y672-Q676 VanDerWaalsContact O-N 3.08Å; N673-Q676 WeakPolarHBondContact O-CB 3.41Å; N673-Q676 PolarHBondContact O-N 3.45Å; R674-Q676 VanDerWaalsContact C-N 3.33Å; R674-Q676 PolarHBondContact O-N 2.96Å; Q676-I679 WeakPolarHBondContact O-CG2 3.22Å; Q676-Q680 WeakPolarHBondContact O-CB 3.44Å; Q676-Q680 PolarHBondContact O-N 2.73Å
677	E	98.2	Very high	97.4	Very high	100 Å²	100	51.8 Å²	51.8	47%	0.467	27%	0.271	S	S	.	.	H	α-helix	trans	-65.2	-49.8	173.4	-66.6	167.5	-174.2	0	0	111.2	N673 R674 F675 I679 Q680 E681	N673-E677 PolarHBondContact O-N 2.92Å; N673-E677 VanDerWaalsContact O-N 3.08Å; R674-E677 WeakPolarHBondContact CD-OE2 3.35Å; R674-E677 IonicContact CZ-OE2 3.11Å; R674-E677 IonicContact NH1-OE2 4Å; R674-E677 PolarHBondContact NH1-OE2 2.86Å; R674-E677 PolarHBondContact O-N 3.39Å; F675-E677 VanDerWaalsContact C-N 3.32Å; F675-E677 PolarHBondContact O-N 2.75Å; E677-I679 PolarHBondContact O-N 2.9Å; E677-Q680 WeakPolarHBondContact O-CB 3.31Å; E677-Q680 PolarHBondContact O-N 3.24Å; E677-E681 PolarHBondContact O-N 3.23Å
678	L	98.4	Very high	97.3	Very high	16 Å²	16	53 Å²	53	8%	0.084	29%	0.29	C	S	.	.	H	α-helix	trans	-63.9	-39.4	-177.2	-69	169.5	0	0	0	112.8	R674 F675 E681 Y682 F691 D695 Y696	R674-L678 HydrophobicContact CG-CD1 4.11Å; R674-L678 VanDerWaalsContact O-CG 3.27Å; R674-L678 WeakPolarHBondContact O-CG 3.39Å; R674-L678 PolarHBondContact O-N 3.33Å; F675-L678 PolarHBondContact O-N 3.3Å; L678-E681 PolarHBondContact O-N 2.99Å; L678-Y682 WeakPolarHBondContact O-CB 3.43Å; L678-Y682 PolarHBondContact O-N 3.11Å; L678-F691 HydrophobicContact CB-CB 4.17Å; L678-F691 HydrophobicContact CB-CD1 3.89Å; L678-F691 HydrophobicContact CB-CD2 4.11Å; L678-F691 HydrophobicContact CB-CE1 4.29Å; L678-F691 HydrophobicContact CB-CE2 4.49Å; L678-F691 HydrophobicContact CB-CG 3.79Å; L678-F691 HydrophobicContact CD1-CB 4.09Å; L678-F691 HydrophobicContact CD1-CD2 4.06Å; L678-F691 HydrophobicContact CD1-CG 4.18Å; L678-F691 HydrophobicContact CD2-CB 4.03Å; L678-F691 HydrophobicContact CG-CB 4.34Å; L678-F691 HydrophobicContact CG-CG 4.42Å; L678-D695 HydrophobicContact CD1-CB 3.58Å; L678-Y696 HydrophobicContact CD1-CD1 4.02Å; L678-Y696 HydrophobicContact CD1-CG 4.48Å
679	I	97.7	Very high	97.1	Very high	5 Å²	5	58.4 Å²	58.4	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-70	-35.3	177.1	-166.2	62.6	0	0	0	111.5	H502 P525 F675 Q676 E677 Y682 E683 F691	H502-I679 HydrophobicContact CB-CG1 4.14Å; H502-I679 HydrophobicContact CB-CG2 4.15Å; P525-I679 HydrophobicContact CB-CD1 3.76Å; P525-I679 HydrophobicContact CG-CD1 4.36Å; F675-I679 HydrophobicContact CE1-CB 4.4Å; F675-I679 HydrophobicContact CE1-CG2 4.23Å; F675-I679 HydrophobicContact CZ-CB 4.28Å; F675-I679 HydrophobicContact CZ-CG1 4.5Å; F675-I679 WeakPolarHBondContact O-CG2 3.49Å; F675-I679 PolarHBondContact O-N 2.99Å; Q676-I679 WeakPolarHBondContact O-CG2 3.22Å; E677-I679 PolarHBondContact O-N 2.9Å; I679-Y682 HydrophobicContact CD1-CD1 4.08Å; I679-Y682 WeakPolarHBondContact O-CB 3.32Å; I679-Y682 PolarHBondContact O-N 3.13Å; I679-E683 WeakPolarHBondContact O-CG 3.39Å; I679-E683 PolarHBondContact O-N 2.85Å; I679-F691 HydrophobicContact CD1-CE1 4.06Å; I679-F691 HydrophobicContact CD1-CZ 4.13Å
680	Q	97.2	Very high	97	Very high	91 Å²	91	61 Å²	61	43%	0.425	34%	0.335	S	S	.	.	H	α-helix	trans	-64.2	-45.5	174.1	-172.4	63.8	56	0	0	110.7	Q676 E677 Y682 E683 D684	Q676-Q680 WeakPolarHBondContact O-CB 3.44Å; Q676-Q680 PolarHBondContact O-N 2.73Å; E677-Q680 WeakPolarHBondContact O-CB 3.31Å; E677-Q680 PolarHBondContact O-N 3.24Å; Q680-Y682 VanDerWaalsContact C-N 3.32Å; Q680-Y682 PolarHBondContact O-N 3.33Å; Q680-E683 PolarHBondContact O-N 2.74Å; Q680-D684 PolarHBondContact NE2-OD1 3.14Å; Q680-D684 PolarHBondContact NE2-OD2 3.28Å; Q680-D684 WeakPolarHBondContact O-CB 3.38Å; Q680-D684 PolarHBondContact O-N 3.36Å
681	E	97.8	Very high	97	Very high	71 Å²	71	61 Å²	61	33%	0.332	34%	0.335	S	S	.	.	H	α-helix	trans	-61.2	-38.9	174.5	-71.8	-169	-132.8	0	0	112.8	E677 L678 S685 K689	E677-E681 PolarHBondContact O-N 3.23Å; L678-E681 PolarHBondContact O-N 2.99Å; E681-S685 WeakPolarHBondContact O-CB 3.39Å; E681-S685 PolarHBondContact O-N 3.48Å; E681-S685 VanDerWaalsContact O-N 3.11Å; E681-S685 PolarHBondContact O-OG 2.91Å; E681-K689 HydrophobicContact CB-CD 4.27Å; E681-K689 IonicContact OE2-NZ 2.63Å; E681-K689 PolarHBondContact OE2-NZ 2.88Å
682	Y	97.5	Very high	96.9	Very high	28 Å²	28	59.4 Å²	59.4	11%	0.11	33%	0.329	C	S	.	.	H	α-helix	trans	-60.3	-47.9	173.9	172.9	-91.1	0	0	0	111.2	P525 L678 I679 Q680 S685 G686 G687 K689 T690 F691	P525-Y682 HydrophobicContact CG-CD1 4.07Å; P525-Y682 HydrophobicContact CG-CD2 4.15Å; P525-Y682 HydrophobicContact CG-CE1 3.77Å; P525-Y682 HydrophobicContact CG-CE2 3.86Å; P525-Y682 HydrophobicContact CG-CG 4.27Å; L678-Y682 WeakPolarHBondContact O-CB 3.43Å; L678-Y682 PolarHBondContact O-N 3.11Å; I679-Y682 HydrophobicContact CD1-CD1 4.08Å; I679-Y682 WeakPolarHBondContact O-CB 3.32Å; I679-Y682 PolarHBondContact O-N 3.13Å; Q680-Y682 VanDerWaalsContact C-N 3.32Å; Q680-Y682 PolarHBondContact O-N 3.33Å; Y682-S685 PolarHBondContact O-OG 3.49Å; Y682-S685 VanDerWaalsContact O-OG 3.07Å; Y682-G686 PolarHBondContact O-N 2.9Å; Y682-G687 VanDerWaalsContact CE2-CA 3.48Å; Y682-G687 WeakPolarHBondContact O-CA 3.47Å; Y682-G687 PolarHBondContact O-N 2.93Å; Y682-K689 WeakPolarHBondContact CA-O 3.15Å; Y682-K689 VanDerWaalsContact CD2-O 3.3Å; Y682-K689 WeakPolarHBondContact CD2-O 3.48Å; Y682-T690 HydrophobicContact CE2-CG2 4.49Å; Y682-F691 HydrophobicContact CG-CE1 4.49Å
683	E	95.8	Very high	96.9	Very high	52 Å²	52	57.6 Å²	57.6	24%	0.243	32%	0.323	C	S	.	.	H	α-helix	trans	-68.2	-44.9	-179.3	-70.5	-64.2	141.9	0	0	112.5	K499 I679 Q680 S685 G686	K499-E683 WeakPolarHBondContact CD-OE2 3.42Å; K499-E683 WeakPolarHBondContact CE-OE2 3.4Å; K499-E683 IonicContact NZ-OE2 2.94Å; K499-E683 PolarHBondContact NZ-OE2 3.21Å; I679-E683 WeakPolarHBondContact O-CG 3.39Å; I679-E683 PolarHBondContact O-N 2.85Å; Q680-E683 PolarHBondContact O-N 2.74Å; E683-S685 PolarHBondContact O-N 2.9Å; E683-G686 PolarHBondContact O-N 3.08Å; E683-G686 VanDerWaalsContact O-N 3.11Å
684	D	96.6	Very high	96.9	Very high	121 Å²	121	57.1 Å²	57.1	65%	0.647	32%	0.315	S	S	*	.	H	α-helix	trans	-64.6	-31.3	-179.4	-68.6	-16.4	0	0	0	112.1	Q680 G686	Q680-D684 PolarHBondContact NE2-OD1 3.14Å; Q680-D684 PolarHBondContact NE2-OD2 3.28Å; Q680-D684 WeakPolarHBondContact O-CB 3.38Å; Q680-D684 PolarHBondContact O-N 3.36Å; D684-G686 VanDerWaalsContact C-N 3.3Å
685	S	96.9	Very high	96.9	Very high	32 Å²	32	56.5 Å²	56.5	22%	0.224	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	3.7	178.5	73.9	0	0	0	0	113.9	E681 Y682 E683 G687 S688 K689	E681-S685 WeakPolarHBondContact O-CB 3.39Å; E681-S685 PolarHBondContact O-N 3.48Å; E681-S685 VanDerWaalsContact O-N 3.11Å; E681-S685 PolarHBondContact O-OG 2.91Å; Y682-S685 PolarHBondContact O-OG 3.49Å; Y682-S685 VanDerWaalsContact O-OG 3.07Å; E683-S685 PolarHBondContact O-N 2.9Å; S685-G687 PolarHBondContact O-N 3.32Å; S685-S688 VanDerWaalsContact CB-OG 3.29Å; S685-S688 WeakPolarHBondContact CB-OG 3.48Å; S685-S688 PolarHBondContact O-N 2.91Å; S685-S688 PolarHBondContact O-OG 2.96Å; S685-S688 PolarHBondContact OG-N 3.17Å; S685-K689 WeakPolarHBondContact OG-CB 3.32Å; S685-K689 PolarHBondContact OG-N 3.34Å
686	G	94.2	Very high	96.9	Very high	77 Å²	77	56.6 Å²	56.6	79%	0.794	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	23.2	-175.3	0	0	0	0	0	113.7	Y682 E683 D684	Y682-G686 PolarHBondContact O-N 2.9Å; E683-G686 PolarHBondContact O-N 3.08Å; E683-G686 VanDerWaalsContact O-N 3.11Å; D684-G686 VanDerWaalsContact C-N 3.3Å
687	G	93.5	Very high	96.9	Very high	20 Å²	20	56.3 Å²	56.3	21%	0.206	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	87	8.8	-177.9	0	0	0	0	0	115.5	Y682 S685	Y682-G687 VanDerWaalsContact CE2-CA 3.48Å; Y682-G687 WeakPolarHBondContact O-CA 3.47Å; Y682-G687 PolarHBondContact O-N 2.93Å; S685-G687 PolarHBondContact O-N 3.32Å
688	S	94.5	Very high	96.9	Very high	98 Å²	98	52.7 Å²	52.7	69%	0.685	30%	0.304	S	S	*	.			trans	-75.5	-38.8	175.9	58.9	0	0	0	0	112.6	S685	S685-S688 VanDerWaalsContact CB-OG 3.29Å; S685-S688 WeakPolarHBondContact CB-OG 3.48Å; S685-S688 PolarHBondContact O-N 2.91Å; S685-S688 PolarHBondContact O-OG 2.96Å; S685-S688 PolarHBondContact OG-N 3.17Å
689	K	96	Very high	96.9	Very high	115 Å²	115	58.6 Å²	58.6	50%	0.5	33%	0.326	S	S	.	.	S	Bend	trans	-81.8	118.5	166.4	-69.4	-177.3	166.4	-169.7	0	109.1	E681 Y682 S685	E681-K689 HydrophobicContact CB-CD 4.27Å; E681-K689 IonicContact OE2-NZ 2.63Å; E681-K689 PolarHBondContact OE2-NZ 2.88Å; Y682-K689 WeakPolarHBondContact CA-O 3.15Å; Y682-K689 VanDerWaalsContact CD2-O 3.3Å; Y682-K689 WeakPolarHBondContact CD2-O 3.48Å; S685-K689 WeakPolarHBondContact OG-CB 3.32Å; S685-K689 PolarHBondContact OG-N 3.34Å
690	T	95.9	Very high	96.9	Very high	105 Å²	105	58.6 Å²	58.6	64%	0.644	33%	0.326	S	S	*	.			trans	-113	165.9	177.7	63.8	0	0	0	0	110.8	Y682	Y682-T690 HydrophobicContact CE2-CG2 4.49Å
691	F	97.8	Very high	96.9	Very high	8 Å²	8	55.7 Å²	55.7	4%	0.035	32%	0.315	C	S	.	.			trans	-145.3	156.1	178.1	66	-86.2	0	0	0	110.4	P525 Q567 Q568 F675 L678 I679 Y682 D695 Y696	P525-F691 HydrophobicContact CB-CE1 4.18Å; P525-F691 HydrophobicContact CB-CZ 3.93Å; Q567-F691 WeakPolarHBondContact CB-O 3.33Å; Q568-F691 HydrophobicContact CG-CE2 3.87Å; Q568-F691 HydrophobicContact CG-CZ 4.11Å; Q568-F691 PolarHBondContact NE2-O 3.11Å; F675-F691 HydrophobicContact CD2-CE2 4.01Å; F675-F691 HydrophobicContact CD2-CZ 4.32Å; F675-F691 AromaticContact CE2-CE2 3.9Å; F675-F691 HydrophobicContact CE2-CE2 3.9Å; F675-F691 AromaticContact CE2-CZ 3.87Å; F675-F691 HydrophobicContact CE2-CZ 3.87Å; L678-F691 HydrophobicContact CB-CB 4.17Å; L678-F691 HydrophobicContact CB-CD1 3.89Å; L678-F691 HydrophobicContact CB-CD2 4.11Å; L678-F691 HydrophobicContact CB-CE1 4.29Å; L678-F691 HydrophobicContact CB-CE2 4.49Å; L678-F691 HydrophobicContact CB-CG 3.79Å; L678-F691 HydrophobicContact CD1-CB 4.09Å; L678-F691 HydrophobicContact CD1-CD2 4.06Å; L678-F691 HydrophobicContact CD1-CG 4.18Å; L678-F691 HydrophobicContact CD2-CB 4.03Å; L678-F691 HydrophobicContact CG-CB 4.34Å; L678-F691 HydrophobicContact CG-CG 4.42Å; I679-F691 HydrophobicContact CD1-CE1 4.06Å; I679-F691 HydrophobicContact CD1-CZ 4.13Å; Y682-F691 HydrophobicContact CG-CE1 4.49Å; F691-D695 HydrophobicContact CB-CB 4.43Å; F691-Y696 AromaticContact CD2-CD1 3.92Å; F691-Y696 HydrophobicContact CD2-CD1 3.92Å; F691-Y696 AromaticContact CD2-CE1 3.67Å; F691-Y696 HydrophobicContact CD2-CE1 3.67Å; F691-Y696 HydrophobicContact CE2-CD1 4.15Å; F691-Y696 AromaticContact CE2-CE1 3.67Å; F691-Y696 HydrophobicContact CE2-CE1 3.67Å
692	S	97.6	Very high	96.9	Very high	31 Å²	31	58.9 Å²	58.9	22%	0.217	33%	0.329	C	S	.	.			trans	-112.4	167.2	-177.2	75.5	0	0	0	0	111.7	Q567 K694 D695 Y696	Q567-S692 CarbonylContact O-C 3.25Å; Q567-S692 WeakPolarHBondContact O-CA 3.25Å; S692-K694 PolarHBondContact O-N 2.69Å; S692-K694 PolarHBondContact OG-N 3.06Å; S692-D695 WeakPolarHBondContact CA-OD2 3.33Å; S692-D695 WeakPolarHBondContact CB-OD2 3.41Å; S692-D695 PolarHBondContact N-OD2 3.14Å; S692-D695 PolarHBondContact O-N 2.96Å; S692-D695 VanDerWaalsContact O-N 3.08Å; S692-D695 PolarHBondContact OG-OD2 3.12Å; S692-Y696 VanDerWaalsContact O-CD1 3.29Å; S692-Y696 WeakPolarHBondContact O-CD1 2.97Å; S692-Y696 WeakPolarHBondContact O-CE1 3.5Å
693	A	97.2	Very high	96.9	Very high	4 Å²	4	59 Å²	59	3%	0.033	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-23.3	174.2	0	0	0	0	0	114.1	Q567 R569 F660	Q567-A693 PolarHBondContact O-N 3.13Å; R569-A693 HydrophobicContact CB-CB 4.39Å; R569-A693 HydrophobicContact CG-CB 3.52Å; F660-A693 HydrophobicContact CE1-CB 4.36Å; F660-A693 HydrophobicContact CZ-CB 3.88Å
694	K	97.3	Very high	97	Very high	110 Å²	110	56.5 Å²	56.5	48%	0.478	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-23.5	-179.7	-65.6	-173	177.9	179.5	0	113.8	S692 Y696 M697	S692-K694 PolarHBondContact O-N 2.69Å; S692-K694 PolarHBondContact OG-N 3.06Å; K694-Y696 PolarHBondContact O-N 3.19Å; K694-M697 HydrophobicContact CB-CE 3.57Å; K694-M697 HydrophobicContact CD-CE 4.43Å; K694-M697 HydrophobicContact CG-CE 3.59Å; K694-M697 WeakPolarHBondContact O-CG 3.21Å
695	D	98.1	Very high	97	Very high	75 Å²	75	52.8 Å²	52.8	40%	0.401	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-10.7	-170.8	-60.4	-56.4	0	0	0	113.6	R674 L678 F691 S692	R674-D695 WeakPolarHBondContact CG-O 3.39Å; L678-D695 HydrophobicContact CD1-CB 3.58Å; F691-D695 HydrophobicContact CB-CB 4.43Å; S692-D695 WeakPolarHBondContact CA-OD2 3.33Å; S692-D695 WeakPolarHBondContact CB-OD2 3.41Å; S692-D695 PolarHBondContact N-OD2 3.14Å; S692-D695 PolarHBondContact O-N 2.96Å; S692-D695 VanDerWaalsContact O-N 3.08Å; S692-D695 PolarHBondContact OG-OD2 3.12Å
696	Y	98.4	Very high	97.1	Very high	1 Å²	1	54.2 Å²	54.2	0%	0.004	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-137.9	32.6	-178	61	-83	0	0	0	112.3	T527 R569 I670 D671 F675 L678 F691 S692 K694	T527-Y696 HydrophobicContact CG2-CE2 4.46Å; T527-Y696 PolarHBondContact O-OH 2.88Å; R569-Y696 HydrophobicContact CG-CE2 3.94Å; R569-Y696 VanDerWaalsContact CG-OH 3.31Å; R569-Y696 WeakPolarHBondContact CG-OH 3.4Å; R569-Y696 PolarHBondContact N-OH 2.93Å; R569-Y696 VanDerWaalsContact N-OH 3.11Å; I670-Y696 HydrophobicContact CG2-CD2 3.86Å; I670-Y696 HydrophobicContact CG2-CE2 4.23Å; D671-Y696 PolarHBondContact N-O 2.97Å; F675-Y696 HydrophobicContact CB-CD2 4Å; F675-Y696 HydrophobicContact CB-CG 4.15Å; F675-Y696 HydrophobicContact CD2-CD1 4.47Å; F675-Y696 HydrophobicContact CD2-CD2 4.08Å; F675-Y696 HydrophobicContact CD2-CE1 4.36Å; F675-Y696 AromaticContact CD2-CE2 3.95Å; F675-Y696 HydrophobicContact CD2-CE2 3.95Å; F675-Y696 HydrophobicContact CD2-CG 4.34Å; F675-Y696 HydrophobicContact CG-CD2 4.46Å; L678-Y696 HydrophobicContact CD1-CD1 4.02Å; L678-Y696 HydrophobicContact CD1-CG 4.48Å; F691-Y696 AromaticContact CD2-CD1 3.92Å; F691-Y696 HydrophobicContact CD2-CD1 3.92Å; F691-Y696 AromaticContact CD2-CE1 3.67Å; F691-Y696 HydrophobicContact CD2-CE1 3.67Å; F691-Y696 HydrophobicContact CE2-CD1 4.15Å; F691-Y696 AromaticContact CE2-CE1 3.67Å; F691-Y696 HydrophobicContact CE2-CE1 3.67Å; S692-Y696 VanDerWaalsContact O-CD1 3.29Å; S692-Y696 WeakPolarHBondContact O-CD1 2.97Å; S692-Y696 WeakPolarHBondContact O-CE1 3.5Å; K694-Y696 PolarHBondContact O-N 3.19Å
697	M	97.8	Very high	97.1	Very high	23 Å²	23	53.4 Å²	53.4	11%	0.113	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	146	171.3	68.7	172	73.6	0	0	111.4	F660 I662 W667 K694	F660-M697 HydrophobicContact CD1-CB 4.49Å; F660-M697 HydrophobicContact CD1-CE 3.82Å; F660-M697 HydrophobicContact CD1-SD 4.45Å; F660-M697 HydrophobicContact CE1-CE 4.08Å; I662-M697 HydrophobicContact CD1-CE 4.2Å; I662-M697 HydrophobicContact CD1-SD 3.4Å; I662-M697 WeakPolarHBondContact CD1-SD 3.16Å; I662-M697 HydrophobicContact CG1-SD 4.38Å; W667-M697 HydrophobicContact CB-CB 4.18Å; W667-M697 HydrophobicContact CB-CG 4.03Å; W667-M697 HydrophobicContact CB-SD 3.43Å; W667-M697 WeakPolarHBondContact CB-SD 3.26Å; W667-M697 HydrophobicContact CD2-SD 4.36Å; W667-M697 HydrophobicContact CE3-CG 4.09Å; W667-M697 HydrophobicContact CE3-SD 4.41Å; W667-M697 HydrophobicContact CG-SD 3.97Å; K694-M697 HydrophobicContact CB-CE 3.57Å; K694-M697 HydrophobicContact CD-CE 4.43Å; K694-M697 HydrophobicContact CG-CE 3.59Å; K694-M697 WeakPolarHBondContact O-CG 3.21Å
698	A	98.3	Very high	97.3	Very high	23 Å²	23	52.8 Å²	52.8	19%	0.19	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	152	173	0	0	0	0	0	109.8	W667 W669 D671 T700	W667-A698 CarbonylContact C-O 3.59Å; W667-A698 VanDerWaalsContact C-O 3.24Å; W667-A698 VanDerWaalsContact CA-O 3.22Å; W667-A698 WeakPolarHBondContact CA-O 3.36Å; W669-A698 HydrophobicContact CB-CB 3.87Å; W669-A698 WeakPolarHBondContact CB-O 3.23Å; W669-A698 PolarHBondContact N-O 2.96Å; W669-A698 VanDerWaalsContact N-O 3.1Å; W669-A698 PolarHBondContact O-N 3.33Å; D671-A698 HydrophobicContact CB-CB 4.29Å; A698-T700 PolarHBondContact O-N 3.01Å
699	R	98.4	Very high	97.3	Very high	140 Å²	140	55.6 Å²	55.6	53%	0.528	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-61.2	133.4	-179.3	-178.2	175.5	167.9	160.7	2.5	110.9	E665 W667	E665-R699 IonicContact OE1-CZ 3.78Å; E665-R699 IonicContact OE1-NE 3.9Å; E665-R699 IonicContact OE1-NH1 2.79Å; E665-R699 PolarHBondContact OE1-NH1 3.09Å; E665-R699 IonicContact OE1-NH2 2.63Å; E665-R699 PolarHBondContact OE1-NH2 3.48Å; E665-R699 IonicContact OE2-CZ 3.26Å; E665-R699 IonicContact OE2-NE 2.65Å; E665-R699 PolarHBondContact OE2-NE 3.03Å; E665-R699 IonicContact OE2-NH1 3.03Å; E665-R699 PolarHBondContact OE2-NH1 3.46Å; E665-R699 IonicContact OE2-NH2 3.56Å; W667-R699 HydrophobicContact CD2-CB 4.16Å; W667-R699 HydrophobicContact CE3-CB 4.17Å; W667-R699 VanDerWaalsContact CE3-N 3.29Å; W667-R699 HydrophobicContact CH2-CB 4.22Å; W667-R699 HydrophobicContact CZ2-CB 4.21Å; W667-R699 HydrophobicContact CZ3-CB 4.19Å
700	T	98.4	Very high	97.3	Very high	5 Å²	5	53.6 Å²	53.6	3%	0.031	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-73.3	129.4	175	-51.4	0	0	0	0	109.9	W666 T668 A698 A704 L705	W666-T700 WeakPolarHBondContact O-CB 3.36Å; W666-T700 PolarHBondContact O-N 2.88Å; W666-T700 PolarHBondContact O-OG1 3.19Å; T668-T700 WeakPolarHBondContact CB-OG1 3.39Å; T668-T700 PolarHBondContact N-OG1 3.13Å; T668-T700 PolarHBondContact OG1-OG1 3.12Å; A698-T700 PolarHBondContact O-N 3.01Å; T700-A704 HydrophobicContact CG2-CB 3.99Å; T700-L705 HydrophobicContact CG2-CD2 3.65Å
701	P	97.8	Very high	97.2	Very high	30 Å²	30	54.2 Å²	54.2	20%	0.195	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-63.7	149.6	175.8	-22.8	33.9	0	0	0	112.5	W669 W703 A704	W669-P701 VanDerWaalsContact CD2-CD 3.49Å; W669-P701 HydrophobicContact CD2-CG 3.94Å; W669-P701 HydrophobicContact CE3-CG 4.03Å; W669-P701 HydrophobicContact CH2-CG 3.52Å; W669-P701 HydrophobicContact CZ2-CG 3.39Å; W669-P701 HydrophobicContact CZ3-CG 3.82Å; P701-W703 HydrophobicContact CB-CD2 4.28Å; P701-W703 HydrophobicContact CB-CG 4.28Å; P701-W703 HydrophobicContact CB-CZ2 4.17Å; P701-W703 VanDerWaalsContact CB-NE1 3.26Å; P701-W703 HydrophobicContact CG-CZ2 4.09Å; P701-W703 PolarHBondContact O-N 2.94Å; P701-A704 WeakPolarHBondContact O-CB 3.43Å; P701-A704 PolarHBondContact O-N 3.48Å; P701-A704 VanDerWaalsContact O-N 3.09Å
702	H	97.3	Very high	97.1	Very high	138 Å²	138	53.8 Å²	53.8	64%	0.639	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-59	-42.4	-176.9	-175.7	67.4	0	0	0	113.4	A704 L705 A708	H702-A704 PolarHBondContact O-N 3.39Å; H702-A704 VanDerWaalsContact O-N 3.13Å; H702-L705 WeakPolarHBondContact O-CB 3.46Å; H702-L705 PolarHBondContact O-N 2.75Å; H702-L705 VanDerWaalsContact O-N 3.09Å; H702-A708 WeakPolarHBondContact O-CB 3.46Å
703	W	96.9	Very high	96.9	Very high	31 Å²	31	53.5 Å²	53.5	12%	0.117	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-62.9	-19.3	179.5	59.2	-102.6	0	0	0	113.9	H397 T398 W669 P701 E710 G712 D714 P715	H397-W703 AromaticContact CD2-CH2 3.71Å; H397-W703 AromaticContact NE2-CH2 3.91Å; T398-W703 HydrophobicContact CG2-CZ3 3.94Å; W669-W703 AromaticContact CH2-CZ2 3.98Å; W669-W703 HydrophobicContact CH2-CZ2 3.98Å; W669-W703 AromaticContact CZ2-CH2 3.92Å; W669-W703 HydrophobicContact CZ2-CH2 3.92Å; W669-W703 AromaticContact CZ2-CZ2 3.7Å; W669-W703 HydrophobicContact CZ2-CZ2 3.7Å; P701-W703 HydrophobicContact CB-CD2 4.28Å; P701-W703 HydrophobicContact CB-CG 4.28Å; P701-W703 HydrophobicContact CB-CZ2 4.17Å; P701-W703 VanDerWaalsContact CB-NE1 3.26Å; P701-W703 HydrophobicContact CG-CZ2 4.09Å; P701-W703 PolarHBondContact O-N 2.94Å; W703-E710 HydrophobicContact CB-CB 3.97Å; W703-E710 HydrophobicContact CB-CG 3.86Å; W703-G712 VanDerWaalsContact CZ3-O 3.28Å; W703-G712 WeakPolarHBondContact CZ3-O 3.28Å; W703-G712 WeakPolarHBondContact O-CA 3.46Å; W703-G712 PolarHBondContact O-N 3.49Å; W703-G712 VanDerWaalsContact O-N 3.16Å; W703-D714 HydrophobicContact CH2-CB 4Å; W703-D714 HydrophobicContact CZ2-CB 4.22Å; W703-D714 HydrophobicContact CZ3-CB 4.14Å; W703-P715 HydrophobicContact CB-CG 4.31Å; W703-P715 VanDerWaalsContact CG-CD 3.48Å; W703-P715 HydrophobicContact CG-CG 4.09Å
704	A	97.4	Very high	96.8	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-87.1	-18	179.1	0	0	0	0	0	113.1	T398 C645 T700 P701 H702	T398-A704 HydrophobicContact CG2-CB 3.58Å; T398-A704 WeakPolarHBondContact O-CB 3.48Å; C645-A704 VanDerWaalsContact CA-O 3.26Å; C645-A704 WeakPolarHBondContact CA-O 3.1Å; C645-A704 WeakPolarHBondContact CB-O 3.48Å; T700-A704 HydrophobicContact CG2-CB 3.99Å; P701-A704 WeakPolarHBondContact O-CB 3.43Å; P701-A704 PolarHBondContact O-N 3.48Å; P701-A704 VanDerWaalsContact O-N 3.09Å; H702-A704 PolarHBondContact O-N 3.39Å; H702-A704 VanDerWaalsContact O-N 3.13Å
705	L	98.1	Very high	96.7	Very high	42 Å²	42	52.5 Å²	52.5	22%	0.22	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-68.4	147.2	-175.2	-59.6	-178.7	0	0	0	111.3	A644 W666 T700 H702 G707 A708	A644-L705 WeakPolarHBondContact O-CA 3.49Å; W666-L705 HydrophobicContact CB-CD2 4.01Å; W666-L705 HydrophobicContact CG-CD2 4.28Å; T700-L705 HydrophobicContact CG2-CD2 3.65Å; H702-L705 WeakPolarHBondContact O-CB 3.46Å; H702-L705 PolarHBondContact O-N 2.75Å; H702-L705 VanDerWaalsContact O-N 3.09Å; L705-G707 PolarHBondContact O-N 3.45Å; L705-A708 VanDerWaalsContact O-CB 3.22Å; L705-A708 WeakPolarHBondContact O-CB 3.38Å; L705-A708 PolarHBondContact O-N 3.35Å; L705-A708 VanDerWaalsContact O-N 3.12Å
706	F	97.9	Very high	96.4	Very high	62 Å²	62	56.5 Å²	56.5	27%	0.272	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	130.5	172.5	179.5	-111.9	0	0	0	110.9	V628 I643 A644 E646 L653 A708	V628-F706 HydrophobicContact CG1-CE2 4.24Å; V628-F706 HydrophobicContact CG1-CZ 3.97Å; V628-F706 HydrophobicContact CG2-CE2 4.37Å; I643-F706 HydrophobicContact CB-CD1 4.26Å; I643-F706 HydrophobicContact CB-CG 4.35Å; I643-F706 HydrophobicContact CD1-CD1 4.47Å; I643-F706 HydrophobicContact CD1-CE1 4.19Å; I643-F706 HydrophobicContact CD1-CZ 4.43Å; I643-F706 HydrophobicContact CG2-CB 3.77Å; I643-F706 HydrophobicContact CG2-CD1 3.99Å; I643-F706 HydrophobicContact CG2-CD2 3.94Å; I643-F706 HydrophobicContact CG2-CG 3.61Å; A644-F706 PolarHBondContact O-N 3.07Å; A644-F706 VanDerWaalsContact O-N 3.14Å; E646-F706 HydrophobicContact CB-CD2 3.94Å; E646-F706 VanDerWaalsContact CD-CD2 3.47Å; E646-F706 HydrophobicContact CG-CD2 4.02Å; E646-F706 WeakPolarHBondContact OE2-CD2 3.43Å; E646-F706 WeakPolarHBondContact OE2-CE2 3.42Å; L653-F706 HydrophobicContact CD2-CD2 4.04Å; L653-F706 HydrophobicContact CD2-CE2 3.87Å; F706-A708 VanDerWaalsContact C-N 3.34Å
707	G	95.5	Very high	96.1	Very high	60 Å²	60	56.9 Å²	56.9	62%	0.619	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.2	2.1	-177.2	0	0	0	0	0	114.9	E646 L705	E646-G707 PolarHBondContact OE1-N 3.33Å; L705-G707 PolarHBondContact O-N 3.45Å
708	A	96.7	Very high	95.7	Very high	8 Å²	8	60.7 Å²	60.7	7%	0.066	31%	0.313	C	S	.	.			trans	-66.2	152	170.3	0	0	0	0	0	111.3	H702 L705 F706 E710 R711	H702-A708 WeakPolarHBondContact O-CB 3.46Å; L705-A708 VanDerWaalsContact O-CB 3.22Å; L705-A708 WeakPolarHBondContact O-CB 3.38Å; L705-A708 PolarHBondContact O-N 3.35Å; L705-A708 VanDerWaalsContact O-N 3.12Å; F706-A708 VanDerWaalsContact C-N 3.34Å; A708-E710 PolarHBondContact O-N 3.2Å; A708-R711 PolarHBondContact O-N 3.46Å
709	N	95.6	Very high	95	Very high	157 Å²	157	64.3 Å²	64.3	84%	0.84	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-32.9	-179.6	-71.7	-33.1	0	0	0	112.2	R711	N709-R711 VanDerWaalsContact C-N 3.27Å; N709-R711 PolarHBondContact O-N 3.22Å
710	E	95.3	Very high	94.1	Very high	72 Å²	72	61.3 Å²	61.3	34%	0.336	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-14.6	179.6	-61.3	81.1	-179.9	0	0	113.2	W703 A708 G712 F713	W703-E710 HydrophobicContact CB-CB 3.97Å; W703-E710 HydrophobicContact CB-CG 3.86Å; A708-E710 PolarHBondContact O-N 3.2Å; E710-G712 PolarHBondContact O-N 2.66Å; E710-G712 VanDerWaalsContact O-N 3.13Å; E710-F713 WeakPolarHBondContact CB-O 3.44Å; E710-F713 WeakPolarHBondContact O-CB 3.36Å; E710-F713 PolarHBondContact O-N 3.24Å
711	R	94.8	Very high	92.9	Very high	118 Å²	118	68 Å²	68	45%	0.445	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.2	41	-178	-59.5	-176.7	177.6	-170.8	-5.9	113.1	E646 E648 A708 N709	E646-R711 HydrophobicContact CG-CB 4.46Å; E648-R711 HydrophobicContact CB-CB 3.97Å; E648-R711 PolarHBondContact N-O 3.23Å; E648-R711 VanDerWaalsContact N-O 3.16Å; E648-R711 VanDerWaalsContact OE1-CD 3.29Å; E648-R711 WeakPolarHBondContact OE1-CD 3.15Å; E648-R711 IonicContact OE1-CZ 3.91Å; E648-R711 IonicContact OE1-NE 3.25Å; E648-R711 IonicContact OE1-NH1 3.07Å; E648-R711 PolarHBondContact OE1-NH1 3.46Å; A708-R711 PolarHBondContact O-N 3.46Å; N709-R711 VanDerWaalsContact C-N 3.27Å; N709-R711 PolarHBondContact O-N 3.22Å
712	G	93.9	Very high	91.1	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.4	-3.5	179.6	0	0	0	0	0	116.7	T398 E646 H647 W703 E710	T398-G712 VanDerWaalsContact CG2-CA 3.46Å; T398-G712 WeakPolarHBondContact CG2-O 3.37Å; T398-G712 PolarHBondContact OG1-O 3.21Å; E646-G712 WeakPolarHBondContact O-CA 3.5Å; H647-G712 PolarHBondContact CD2-O 2.96Å; H647-G712 VanDerWaalsContact CD2-O 3.29Å; W703-G712 VanDerWaalsContact CZ3-O 3.28Å; W703-G712 WeakPolarHBondContact CZ3-O 3.28Å; W703-G712 WeakPolarHBondContact O-CA 3.46Å; W703-G712 PolarHBondContact O-N 3.49Å; W703-G712 VanDerWaalsContact O-N 3.16Å; E710-G712 PolarHBondContact O-N 2.66Å; E710-G712 VanDerWaalsContact O-N 3.13Å
713	F	94.4	Very high	88.8	Confident	25 Å²	25	74.9 Å²	74.9	11%	0.11	37%	0.365	C	S	.	.			trans	-79.4	125.9	178.2	-162.3	-89.6	0	0	0	110.3	E710 P715 D717 R719	E710-F713 WeakPolarHBondContact CB-O 3.44Å; E710-F713 WeakPolarHBondContact O-CB 3.36Å; E710-F713 PolarHBondContact O-N 3.24Å; F713-P715 WeakPolarHBondContact O-CD 3.41Å; F713-D717 HydrophobicContact CE1-CB 4.05Å; F713-D717 HydrophobicContact CZ-CB 4.33Å; F713-R719 HydrophobicContact CD1-CB 4.46Å; F713-R719 HydrophobicContact CD2-CG 4.43Å; F713-R719 HydrophobicContact CE1-CB 3.93Å; F713-R719 HydrophobicContact CE2-CB 4.05Å; F713-R719 HydrophobicContact CE2-CG 4Å; F713-R719 VanDerWaalsContact CZ-CA 3.41Å; F713-R719 HydrophobicContact CZ-CB 3.72Å; F713-R719 HydrophobicContact CZ-CG 4.18Å
714	D	95	Very high	86.4	Confident	12 Å²	12	78 Å²	78	6%	0.064	39%	0.385	C	S	.	.			trans	-64.5	121.3	-178.6	-172.7	-23.8	0	0	0	110.2	H397 W703 K716 D717	H397-D714 IonicContact CD2-OD2 2.84Å; H397-D714 IonicContact CE1-OD2 3.96Å; H397-D714 IonicContact NE2-OD2 3.07Å; H397-D714 PolarHBondContact NE2-OD2 3.2Å; W703-D714 HydrophobicContact CH2-CB 4Å; W703-D714 HydrophobicContact CZ2-CB 4.22Å; W703-D714 HydrophobicContact CZ3-CB 4.14Å; D714-K716 PolarHBondContact O-N 3.33Å; D714-K716 VanDerWaalsContact O-N 3.11Å; D714-K716 WeakPolarHBondContact OD1-CB 3.07Å; D714-K716 WeakPolarHBondContact OD1-CG 3.4Å; D714-K716 PolarHBondContact OD1-N 2.78Å; D714-D717 PolarHBondContact O-N 3.05Å
715	P	94.5	Very high	83.9	Confident	80 Å²	80	83 Å²	83	52%	0.519	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-13.5	-179	26.6	-35.7	0	0	0	114	W703 F713	W703-P715 HydrophobicContact CB-CG 4.31Å; W703-P715 VanDerWaalsContact CG-CD 3.48Å; W703-P715 HydrophobicContact CG-CG 4.09Å; F713-P715 WeakPolarHBondContact O-CD 3.41Å
716	K	92.6	Very high	81.1	Confident	159 Å²	159	86.6 Å²	86.6	69%	0.691	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-17.2	172.6	-65.5	-179.1	177.2	-178	0	113.3	D714	D714-K716 PolarHBondContact O-N 3.33Å; D714-K716 VanDerWaalsContact O-N 3.11Å; D714-K716 WeakPolarHBondContact OD1-CB 3.07Å; D714-K716 WeakPolarHBondContact OD1-CG 3.4Å; D714-K716 PolarHBondContact OD1-N 2.78Å
717	D	92.2	Very high	78	Confident	10 Å²	10	93 Å²	93	5%	0.053	46%	0.463	C	S	.	.	S	Bend	trans	-106.1	163	179.7	-76.9	-21.5	0	0	0	111.3	G390 G392 K467 F713 D714	G390-D717 VanDerWaalsContact CA-OD1 3.25Å; G390-D717 WeakPolarHBondContact CA-OD1 3.46Å; G390-D717 WeakPolarHBondContact O-CA 3.25Å; G390-D717 WeakPolarHBondContact O-CB 3.47Å; G392-D717 WeakPolarHBondContact CA-OD2 3.47Å; G392-D717 PolarHBondContact N-OD2 3.14Å; K467-D717 IonicContact NZ-OD1 3.5Å; F713-D717 HydrophobicContact CE1-CB 4.05Å; F713-D717 HydrophobicContact CZ-CB 4.33Å; D714-D717 PolarHBondContact O-N 3.05Å
718	T	88.4	Confident	75.1	Confident	103 Å²	103	93 Å²	93	63%	0.632	46%	0.456	S	S	*	.			trans	-112.3	118.5	-179.9	-53.6	0	0	0	0	110	G390 R391 H720	G390-T718 PolarHBondContact O-N 3.13Å; R391-T718 WeakPolarHBondContact CA-O 3.49Å; T718-H720 PolarHBondContact O-N 2.82Å; T718-H720 VanDerWaalsContact O-N 3.09Å
719	R	83.9	Confident	72.3	Confident	98 Å²	98	100.2 Å²	100.2	37%	0.37	49%	0.492	S	S	.	.			trans	-62.4	114.9	177.6	-164.5	175.7	-161.4	176.2	9.2	109.5	E648 F713	E648-R719 IonicContact OE2-CZ 3.65Å; E648-R719 IonicContact OE2-NH1 3.84Å; E648-R719 PolarHBondContact OE2-NH1 2.95Å; E648-R719 IonicContact OE2-NH2 3.91Å; E648-R719 PolarHBondContact OE2-NH2 3.36Å; F713-R719 HydrophobicContact CD1-CB 4.46Å; F713-R719 HydrophobicContact CD2-CG 4.43Å; F713-R719 HydrophobicContact CE1-CB 3.93Å; F713-R719 HydrophobicContact CE2-CB 4.05Å; F713-R719 HydrophobicContact CE2-CG 4Å; F713-R719 VanDerWaalsContact CZ-CA 3.41Å; F713-R719 HydrophobicContact CZ-CB 3.72Å; F713-R719 HydrophobicContact CZ-CG 4.18Å
720	H	79.9	Confident	69.5	Low	77 Å²	77	94.9 Å²	94.9	36%	0.356	47%	0.467	S	S	.	.			trans	-89.5	114.8	177.9	-175.7	87.7	0	0	0	110.3	D120 R391 T718	D120-H720 IonicContact OD1-CE1 2.74Å; D120-H720 IonicContact OD1-NE2 3.42Å; D120-H720 PolarHBondContact OD1-NE2 3.28Å; D120-H720 IonicContact OD2-CE1 3.82Å; D120-H720 PolarHBondContact OD2-CE1 2.55Å; D120-H720 IonicContact OD2-NE2 3.9Å; R391-H720 HydrophobicContact CB-CB 4.24Å; R391-H720 HydrophobicContact CG-CB 4.03Å; T718-H720 PolarHBondContact O-N 2.82Å; T718-H720 VanDerWaalsContact O-N 3.09Å
721	Q	72.2	Confident	66.7	Low	146 Å²	146	94.3 Å²	94.3	68%	0.682	48%	0.48	S	S	*	.			trans	-106.9	128	174.2	-64	-176.3	-3.2	0	0	109.7	K723	Q721-K723 PolarHBondContact O-N 3.49Å
722	R	60.7	Low	63.7	Low	132 Å²	132	94.2 Å²	94.2	50%	0.498	50%	0.497	S	S	.	.			trans	-67.4	129.2	176.6	-69.6	-178.9	171.4	-178.1	-5.6	109.9	N724	R722-N724 VanDerWaalsContact C-N 3.25Å; R722-N724 PolarHBondContact O-N 3.05Å; R722-N724 VanDerWaalsContact O-N 3.09Å
723	K	50.1	Low	62.2	Low	180 Å²	180	99 Å²	99	78%	0.783	52%	0.522	S	S	*	.	S	Bend	trans	-71.4	1.6	-168.4	-77.8	-174.8	176	179.4	0	117	Q721	Q721-K723 PolarHBondContact O-N 3.49Å
724	N	46.4	Very low	60.5	Low	98 Å²	98	102.8 Å²	102.8	52%	0.524	54%	0.543	S	S	.	.			trans	-133.4	74.5	178.9	-96.1	-18	0	0	0	112.2	T127 R722	T127-N724 PolarHBondContact OG1-ND2 3.22Å; R722-N724 VanDerWaalsContact C-N 3.25Å; R722-N724 PolarHBondContact O-N 3.05Å; R722-N724 VanDerWaalsContact O-N 3.09Å
725	K	44.9	Very low	58.6	Low	105 Å²	105	107.9 Å²	107.9	46%	0.457	57%	0.57	S	S	.	*			trans	-106.3	98.1	155.3	-80.6	-170.4	179	-179.7	0	108.6	K727 A728 S730 C732	K725-K727 PolarHBondContact O-N 3.48Å; K725-K727 VanDerWaalsContact O-N 3.12Å; K725-A728 HydrophobicContact CD-CB 3.89Å; K725-S730 PolarHBondContact NZ-O 3.45Å; K725-C732 PolarHBondContact NZ-O 3.25Å
726	S	37.3	Very low	56.4	Low	116 Å²	116	109.5 Å²	109.5	81%	0.811	57%	0.573	S	S	*	*	S	Bend	trans	-49	118.1	142.9	52.6	0	0	0	0	106.3	A728	S726-A728 PolarHBondContact O-N 3.29Å
727	K	34.2	Very low	54.2	Low	198 Å²	198	106.4 Å²	106.4	86%	0.861	57%	0.565	S	S	*	*	S	Bend	trans	7.1	102.8	-178.7	-77.1	-178.8	175.5	179.5	0	114.5	K725 I729	K725-K727 PolarHBondContact O-N 3.48Å; K725-K727 VanDerWaalsContact O-N 3.12Å; K727-I729 PolarHBondContact O-N 3.1Å; K727-I729 VanDerWaalsContact O-N 3.08Å
728	A	34.3	Very low	51.6	Low	58 Å²	58	112.9 Å²	112.9	48%	0.479	60%	0.599	S	S	.	*			trans	-38.7	113.1	174.3	0	0	0	0	0	112.6	K725 S726	K725-A728 HydrophobicContact CD-CB 3.89Å; S726-A728 PolarHBondContact O-N 3.29Å
729	I	37.6	Very low	49	Very low	161 Å²	161	113.6 Å²	113.6	83%	0.826	60%	0.597	S	S	*	*	S	Bend	trans	-85.8	0.7	159.9	-60.4	175.5	0	0	0	110.1	K727	K727-I729 PolarHBondContact O-N 3.1Å; K727-I729 VanDerWaalsContact O-N 3.08Å
730	S	36.1	Very low	46.3	Very low	45 Å²	45	114.8 Å²	114.8	32%	0.315	62%	0.615	S	S	.	*	S	Bend	trans	-143.9	127.7	170.3	64.5	0	0	0	0	112.2	K725 C732	K725-S730 PolarHBondContact NZ-O 3.45Å; S730-C732 PolarHBondContact O-N 3.39Å
731	G	38.2	Very low	43.5	Very low	59 Å²	59	117.9 Å²	117.9	61%	0.608	64%	0.636	S	S	*	*			trans	-72	42.4	174.3	0	0	0	0	0	114.5
732	C	30.4	Very low	40.9	Very low	117 Å²	117	115.4 Å²	115.4	79%	0.791	63%	0.632	S	S	*	*			trans	-118.9	0	168.3	-78.4	0	0	0	0	110.9	K725 S730	K725-C732 PolarHBondContact NZ-O 3.25Å; S730-C732 PolarHBondContact O-N 3.39Å

Retrieved 732 of 732 residues in 315.7 ms (Link to these results)

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