A0A087XTG3_POEFO Loading...

Ubiquitin-associated and SH3 domain-containing protein B

Interferes with CBL-mediated down-regulation and degradation of receptor-type tyrosine kinases. Promotes accumulation of activated target receptors, such as T-cell receptors and EGFR, on the cell surface. Exhibits tyrosine phosphatase activity toward several substrates including EGFR, FAK, SYK, and ZAP70. Down-regulates proteins that are dually modified by both protein tyrosine phosphorylation and ubiquitination.

AlphaFold DB , UniProt , Accession A0A087XTG3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 642 aa.

Structure Viewer

Loading PAE data...

(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	34.3	Very low	29.8	Very low	243 Å²	243	155.8 Å²	155.8	100%	1.197	84%	0.836	S	S	*	*				0	93.3	0	-57.8	179.4	-166.6	0	0	105.3
2	A	36.3	Very low	29.6	Very low	106 Å²	106	153.3 Å²	153.3	88%	0.876	83%	0.831	S	S	*	*				88.6	96.5	91.9	0	0	0	0	0	108.2
3	A	29	Very low	29.7	Very low	103 Å²	103	150.7 Å²	150.7	85%	0.851	83%	0.826	S	S	*	*			trans	-99	155.3	-156.7	0	0	0	0	0	113.7
4	K	29	Very low	30	Very low	174 Å²	174	157.1 Å²	157.1	76%	0.757	83%	0.832	S	S	*	*			trans	-68.9	158.5	167.7	-80.5	174.8	140.5	-121	0	112.2
5	E	30.2	Very low	30	Very low	143 Å²	143	161.8 Å²	161.8	67%	0.668	83%	0.834	S	S	*	*			trans	29.5	123.7	137.9	-58.5	161.4	129.2	0	0	118
6	D	28.7	Very low	29.8	Very low	143 Å²	143	161.9 Å²	161.9	77%	0.765	83%	0.829	S	S	*	*				-172.2	142.9	106	-111.3	-25.2	0	0	0	117.2
7	L	26.8	Very low	29.6	Very low	156 Å²	156	165.8 Å²	165.8	82%	0.817	83%	0.831	S	S	*	*			trans	66.6	149.3	141	-76.7	158.7	0	0	0	125.3
8	Y	28.1	Very low	29.5	Very low	221 Å²	221	165.6 Å²	165.6	87%	0.867	83%	0.827	S	S	*	*			trans	-80.3	163.1	-173.9	-107	-109.9	0	0	0	115.4
9	A	29.7	Very low	29.4	Very low	83 Å²	83	165.9 Å²	165.9	69%	0.686	83%	0.832	S	S	*	*			trans	77	118.6	149.4	0	0	0	0	0	120.7
10	K	27.4	Very low	29.4	Very low	209 Å²	209	169 Å²	169	91%	0.909	83%	0.833	S	S	*	*				-171.7	146.1	117.9	-100.8	156.8	-171.1	172.9	0	114.3
11	V	28.3	Very low	29.6	Very low	133 Å²	133	167.5 Å²	167.5	81%	0.806	84%	0.836	S	S	*	*			trans	-127.7	145.8	171.1	-175.3	0	0	0	0	104.5
12	T	27.2	Very low	29.3	Very low	126 Å²	126	160.4 Å²	160.4	77%	0.773	81%	0.811	S	S	*	*			cis	-144.5	-154.7	26.7	-11.9	0	0	0	0	107.4
13	P	30.8	Very low	29.1	Very low	119 Å²	119	161.4 Å²	161.4	77%	0.773	81%	0.806	S	S	*	*			cis	-133.8	-178	-17.3	28.6	-4.7	0	0	0	116.3
14	R	34.8	Very low	29.5	Very low	240 Å²	240	163.7 Å²	163.7	91%	0.906	80%	0.802	S	S	*	*			trans	-58.7	143.3	177.8	-72.7	171.7	159.9	170	-6.2	117.4
15	R	28.9	Very low	29.9	Very low	228 Å²	228	164.1 Å²	164.1	86%	0.86	80%	0.804	S	S	*	*			trans	169.1	152.7	130.5	-97.2	178.8	178.4	-168.5	0.6	108.2
16	Q	27.7	Very low	30.6	Very low	163 Å²	163	166.1 Å²	166.1	76%	0.762	81%	0.813	S	S	*	*			cis	-164.6	135	9.1	-141.9	173.8	5.6	0	0	110.5
17	R	26.3	Very low	32.1	Very low	228 Å²	228	161.2 Å²	161.2	86%	0.86	80%	0.796	S	S	*	*			trans	159.4	141.9	155.8	-99.2	177.9	173.2	-179.4	-2	108.5
18	Q	27.2	Very low	34.8	Very low	162 Å²	162	156 Å²	156	76%	0.757	77%	0.773	S	S	*	*			cis	-156.8	138.2	-13.1	-147.9	171.3	5.3	0	0	106.5	R20	Q18-R20 PolarHBondContact O-N 3.29Å
19	N	28.1	Very low	37.8	Very low	173 Å²	173	148.2 Å²	148.2	93%	0.925	75%	0.749	S	S	*	*			trans	-65.4	123	-177.9	-84.8	-0.9	0	0	0	111.6
20	R	29.1	Very low	40.8	Very low	226 Å²	226	145.4 Å²	145.4	85%	0.853	72%	0.722	S	S	*	*			trans	-116.4	134.4	154	-78.5	-173.6	173.3	-174.8	-1.4	108.4	Q18 S22	Q18-R20 PolarHBondContact O-N 3.29Å; R20-S22 VanDerWaalsContact C-N 3.33Å; R20-S22 PolarHBondContact O-N 3.27Å
21	P	33.7	Very low	43.9	Very low	138 Å²	138	139.4 Å²	139.4	90%	0.896	70%	0.7	S	S	*	*			trans	-79.4	83.6	173.1	32.7	-32.5	0	0	0	109.3
22	S	27.9	Very low	47.1	Very low	94 Å²	94	135.7 Å²	135.7	66%	0.657	68%	0.677	S	S	*	*			trans	-96.7	103.3	166.1	53.1	0	0	0	0	108.8	R20 I24	R20-S22 VanDerWaalsContact C-N 3.33Å; R20-S22 PolarHBondContact O-N 3.27Å; S22-I24 PolarHBondContact O-N 3.26Å; S22-I24 VanDerWaalsContact O-N 3.1Å
23	T	32.3	Very low	50.3	Low	128 Å²	128	129.7 Å²	129.7	79%	0.785	64%	0.64	S	S	*	*			trans	-47.1	115.9	160.5	44.6	0	0	0	0	108.7	K25	T23-K25 VanDerWaalsContact C-N 3.28Å; T23-K25 PolarHBondContact O-N 3.1Å
24	I	36.6	Very low	53.3	Low	150 Å²	150	127 Å²	127	77%	0.769	62%	0.619	S	S	*	*			trans	-69.2	93.6	173.3	-59.3	172.2	0	0	0	106.4	S22 H26	S22-I24 PolarHBondContact O-N 3.26Å; S22-I24 VanDerWaalsContact O-N 3.1Å; I24-H26 PolarHBondContact O-N 3.03Å
25	K	39	Very low	56.2	Low	184 Å²	184	120.2 Å²	120.2	80%	0.8	61%	0.609	S	S	*	*			trans	-63.5	125.2	157.4	-70.4	-173.3	175.8	-173.5	0	105.7	T23 G27	T23-K25 VanDerWaalsContact C-N 3.28Å; T23-K25 PolarHBondContact O-N 3.1Å; K25-G27 PolarHBondContact O-N 3.4Å
26	H	42.9	Very low	59.3	Low	185 Å²	185	114.4 Å²	114.4	86%	0.856	59%	0.592	S	S	*	*			trans	-59.2	111.7	161.4	-71.3	-86.7	0	0	0	106.4	I24	I24-H26 PolarHBondContact O-N 3.03Å
27	G	61.3	Low	62.4	Low	39 Å²	39	109.6 Å²	109.6	40%	0.402	59%	0.586	S	S	.	*			trans	-67.4	167.3	175.5	0	0	0	0	0	110.7	K25	K25-G27 PolarHBondContact O-N 3.4Å
28	S	84.4	Confident	65.7	Low	48 Å²	48	100.4 Å²	100.4	34%	0.336	55%	0.553	S	S	.	*			trans	-58.1	160.6	167.1	64.4	0	0	0	0	110.6	L30 D31 V32	S28-L30 PolarHBondContact O-N 2.88Å; S28-D31 WeakPolarHBondContact CB-OD2 3.21Å; S28-D31 PolarHBondContact N-OD2 3.03Å; S28-D31 WeakPolarHBondContact O-CB 3.46Å; S28-D31 PolarHBondContact O-N 3.13Å; S28-D31 PolarHBondContact OG-N 3.19Å; S28-D31 PolarHBondContact OG-OD2 3.37Å; S28-V32 PolarHBondContact O-N 3.07Å; S28-V32 VanDerWaalsContact O-N 3.15Å
29	T	90.5	Very high	68.9	Low	57 Å²	57	95.9 Å²	95.9	35%	0.35	54%	0.537	S	S	.	.	H	α-helix	trans	-55.5	-34.6	173.4	48.6	0	0	0	0	111.6	V32 L33 V55	T29-V32 PolarHBondContact O-N 3.27Å; T29-L33 WeakPolarHBondContact O-CG 3.32Å; T29-L33 PolarHBondContact O-N 3.02Å; T29-V55 HydrophobicContact CG2-CG2 4.01Å
30	L	92.8	Very high	72.1	Confident	23 Å²	23	95.2 Å²	95.2	12%	0.12	52%	0.522	C	S	.	.	H	α-helix	trans	-62.6	-47.6	171.4	-179.5	63.8	0	0	0	112.6	S28 V32 L33 L34 A43 L44 L47	S28-L30 PolarHBondContact O-N 2.88Å; L30-V32 PolarHBondContact O-N 3.19Å; L30-L33 PolarHBondContact O-N 3.38Å; L30-L34 HydrophobicContact CD1-CD1 4.37Å; L30-L34 HydrophobicContact CD1-CG 4.24Å; L30-L34 HydrophobicContact CG-CD1 4.01Å; L30-L34 HydrophobicContact CG-CG 4.32Å; L30-L34 VanDerWaalsContact O-CG 3.28Å; L30-L34 WeakPolarHBondContact O-CG 3.38Å; L30-L34 PolarHBondContact O-N 3.11Å; L30-A43 HydrophobicContact CD1-CB 3.84Å; L30-L44 HydrophobicContact CD1-CD2 4.03Å; L30-L44 HydrophobicContact CD1-CG 3.95Å; L30-L44 HydrophobicContact CD2-CD2 3.88Å; L30-L44 HydrophobicContact CD2-CG 4.36Å; L30-L47 HydrophobicContact CB-CD1 3.91Å; L30-L47 HydrophobicContact CD1-CD1 4.2Å
31	D	93.3	Very high	75.1	Confident	84 Å²	84	87 Å²	87	45%	0.449	50%	0.497	S	S	.	.	H	α-helix	trans	-58.5	-36.4	178.4	-64.8	-52.6	0	0	0	111.9	S28 S35	S28-D31 WeakPolarHBondContact CB-OD2 3.21Å; S28-D31 PolarHBondContact N-OD2 3.03Å; S28-D31 WeakPolarHBondContact O-CB 3.46Å; S28-D31 PolarHBondContact O-N 3.13Å; S28-D31 PolarHBondContact OG-N 3.19Å; S28-D31 PolarHBondContact OG-OD2 3.37Å; D31-S35 WeakPolarHBondContact O-CB 3.17Å; D31-S35 PolarHBondContact O-N 3.4Å
32	V	93.9	Very high	78	Confident	54 Å²	54	83.3 Å²	83.3	33%	0.327	47%	0.465	S	S	.	.	H	α-helix	trans	-65.8	-49.6	176.1	-176.8	0	0	0	0	110.6	S28 T29 L30 L34 S35 M36 V55	S28-V32 PolarHBondContact O-N 3.07Å; S28-V32 VanDerWaalsContact O-N 3.15Å; T29-V32 PolarHBondContact O-N 3.27Å; L30-V32 PolarHBondContact O-N 3.19Å; V32-L34 VanDerWaalsContact C-N 3.32Å; V32-L34 PolarHBondContact O-N 2.54Å; V32-S35 WeakPolarHBondContact O-CB 3.48Å; V32-S35 PolarHBondContact O-N 3Å; V32-S35 PolarHBondContact O-OG 2.68Å; V32-M36 HydrophobicContact CG1-SD 4.39Å; V32-M36 WeakPolarHBondContact O-CG 3.44Å; V32-M36 PolarHBondContact O-N 3.27Å; V32-V55 HydrophobicContact CB-CG1 4.34Å; V32-V55 HydrophobicContact CB-CG2 3.95Å; V32-V55 HydrophobicContact CG1-CG1 3.83Å; V32-V55 HydrophobicContact CG1-CG2 4.1Å; V32-V55 HydrophobicContact CG2-CG2 4.37Å
33	L	94.3	Very high	81.2	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	43%	0.434	C	S	.	.	H	α-helix	trans	-59.7	-40.7	176.9	-68.8	170.7	0	0	0	112.3	T29 L30 S35 M36 G37 F38 A43 L47 V55 A58 C59	T29-L33 WeakPolarHBondContact O-CG 3.32Å; T29-L33 PolarHBondContact O-N 3.02Å; L30-L33 PolarHBondContact O-N 3.38Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 3.2Å; L33-M36 PolarHBondContact O-N 3.44Å; L33-G37 PolarHBondContact O-N 3Å; L33-F38 HydrophobicContact CB-CD2 4.29Å; L33-F38 HydrophobicContact CD2-CD2 3.91Å; L33-F38 HydrophobicContact CD2-CE2 4.11Å; L33-F38 WeakPolarHBondContact O-CD2 3.41Å; L33-F38 PolarHBondContact O-N 3.25Å; L33-A43 HydrophobicContact CB-CB 3.87Å; L33-A43 HydrophobicContact CD1-CB 4.04Å; L33-L47 HydrophobicContact CD1-CD1 3.91Å; L33-L47 HydrophobicContact CD1-CD2 3.93Å; L33-L47 HydrophobicContact CD1-CG 3.67Å; L33-V55 HydrophobicContact CD2-CG1 3.87Å; L33-V55 HydrophobicContact CG-CG1 4.23Å; L33-A58 HydrophobicContact CD1-CB 3.89Å; L33-A58 HydrophobicContact CD2-CB 4.41Å; L33-C59 WeakPolarHBondContact CD2-SG 3.38Å
34	L	95.2	Very high	84.2	Confident	63 Å²	63	73.6 Å²	73.6	33%	0.33	40%	0.401	S	S	.	.	H	α-helix	trans	-62.6	-39.4	173.7	-67.9	175.6	0	0	0	111.8	L30 V32 M36 G37 R40	L30-L34 HydrophobicContact CD1-CD1 4.37Å; L30-L34 HydrophobicContact CD1-CG 4.24Å; L30-L34 HydrophobicContact CG-CD1 4.01Å; L30-L34 HydrophobicContact CG-CG 4.32Å; L30-L34 VanDerWaalsContact O-CG 3.28Å; L30-L34 WeakPolarHBondContact O-CG 3.38Å; L30-L34 PolarHBondContact O-N 3.11Å; V32-L34 VanDerWaalsContact C-N 3.32Å; V32-L34 PolarHBondContact O-N 2.54Å; L34-M36 VanDerWaalsContact C-N 3.27Å; L34-M36 PolarHBondContact O-N 3.15Å; L34-G37 PolarHBondContact O-N 3.2Å; L34-R40 HydrophobicContact CD2-CB 3.79Å; L34-R40 HydrophobicContact CD2-CG 4.27Å
35	S	94.1	Very high	86.9	Confident	98 Å²	98	67.3 Å²	67.3	69%	0.685	37%	0.368	S	S	*	.	H	α-helix	trans	-68.8	-23.7	176.7	79.4	0	0	0	0	113.8	D31 V32 L33 G37	D31-S35 WeakPolarHBondContact O-CB 3.17Å; D31-S35 PolarHBondContact O-N 3.4Å; V32-S35 WeakPolarHBondContact O-CB 3.48Å; V32-S35 PolarHBondContact O-N 3Å; V32-S35 PolarHBondContact O-OG 2.68Å; L33-S35 VanDerWaalsContact C-N 3.33Å; L33-S35 PolarHBondContact O-N 3.2Å; S35-G37 VanDerWaalsContact C-N 3.25Å
36	M	93.9	Very high	89.6	Confident	105 Å²	105	58.6 Å²	58.6	52%	0.517	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-8.3	171.3	-65.3	174.2	69.5	0	0	112.8	V32 L33 L34 F38 V55	V32-M36 HydrophobicContact CG1-SD 4.39Å; V32-M36 WeakPolarHBondContact O-CG 3.44Å; V32-M36 PolarHBondContact O-N 3.27Å; L33-M36 PolarHBondContact O-N 3.44Å; L34-M36 VanDerWaalsContact C-N 3.27Å; L34-M36 PolarHBondContact O-N 3.15Å; M36-F38 HydrophobicContact CB-CD2 4.02Å; M36-F38 HydrophobicContact CB-CE2 4.07Å; M36-F38 HydrophobicContact CE-CE2 4.12Å; M36-F38 HydrophobicContact SD-CE2 4.45Å; M36-V55 HydrophobicContact SD-CG1 4.27Å
37	G	94.1	Very high	92	Very high	62 Å²	62	50.4 Å²	50.4	64%	0.639	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	96.9	4.5	176.6	0	0	0	0	0	115.2	L33 L34 S35	L33-G37 PolarHBondContact O-N 3Å; L34-G37 PolarHBondContact O-N 3.2Å; S35-G37 VanDerWaalsContact C-N 3.25Å
38	F	94.9	Very high	93.6	Very high	36 Å²	36	49 Å²	49	16%	0.158	28%	0.276	C	S	.	.			trans	-69.5	137.3	177	-65.4	-65.2	0	0	0	111.6	L33 M36 A43 L62 F63	L33-F38 HydrophobicContact CB-CD2 4.29Å; L33-F38 HydrophobicContact CD2-CD2 3.91Å; L33-F38 HydrophobicContact CD2-CE2 4.11Å; L33-F38 WeakPolarHBondContact O-CD2 3.41Å; L33-F38 PolarHBondContact O-N 3.25Å; M36-F38 HydrophobicContact CB-CD2 4.02Å; M36-F38 HydrophobicContact CB-CE2 4.07Å; M36-F38 HydrophobicContact CE-CE2 4.12Å; M36-F38 HydrophobicContact SD-CE2 4.45Å; F38-A43 HydrophobicContact CB-CB 4.36Å; F38-L62 HydrophobicContact CB-CD1 4.36Å; F38-L62 HydrophobicContact CD1-CD1 3.83Å; F38-L62 HydrophobicContact CD2-CD1 4Å; F38-L62 HydrophobicContact CE1-CB 4.33Å; F38-L62 HydrophobicContact CE1-CD1 4.02Å; F38-L62 HydrophobicContact CE2-CD1 4.18Å; F38-L62 HydrophobicContact CG-CD1 3.81Å; F38-L62 HydrophobicContact CZ-CD1 4.19Å; F38-F63 HydrophobicContact CE1-CE1 4.39Å; F38-F63 HydrophobicContact CE1-CZ 4.41Å; F38-F63 HydrophobicContact CZ-CE1 4.23Å; F38-F63 HydrophobicContact CZ-CE2 4.27Å; F38-F63 AromaticContact CZ-CZ 3.81Å; F38-F63 HydrophobicContact CZ-CZ 3.81Å
39	P	94.9	Very high	94.1	Very high	66 Å²	66	47.4 Å²	47.4	43%	0.429	27%	0.265	S	S	.	.			trans	-58.1	139.9	172.7	-24.6	34.3	0	0	0	111.9	T41 R42 A43	P39-T41 VanDerWaalsContact C-N 3.27Å; P39-T41 PolarHBondContact O-N 2.64Å; P39-R42 HydrophobicContact CB-CG 4.45Å; P39-R42 PolarHBondContact O-N 2.84Å; P39-R42 VanDerWaalsContact O-N 3.14Å; P39-A43 WeakPolarHBondContact O-CB 3.39Å; P39-A43 PolarHBondContact O-N 3.06Å
40	R	94.1	Very high	94.3	Very high	159 Å²	159	45.7 Å²	45.7	60%	0.6	26%	0.255	S	S	*	.	H	α-helix	trans	-54.7	-39	-175.6	-174.4	175.3	177.4	158.1	2.1	113.8	L34 L44	L34-R40 HydrophobicContact CD2-CB 3.79Å; L34-R40 HydrophobicContact CD2-CG 4.27Å; R40-L44 HydrophobicContact CG-CD1 4.01Å; R40-L44 WeakPolarHBondContact O-CB 3.38Å; R40-L44 WeakPolarHBondContact O-CG 3.39Å; R40-L44 PolarHBondContact O-N 2.8Å
41	T	93.2	Very high	94.2	Very high	54 Å²	54	45.4 Å²	45.4	33%	0.331	26%	0.257	S	S	.	.	H	α-helix	trans	-63	-52.2	177.8	45	0	0	0	0	111.4	P39 A43 L44 K45	P39-T41 VanDerWaalsContact C-N 3.27Å; P39-T41 PolarHBondContact O-N 2.64Å; T41-A43 PolarHBondContact O-N 3.31Å; T41-L44 PolarHBondContact O-N 2.86Å; T41-K45 WeakPolarHBondContact O-CB 3.49Å; T41-K45 PolarHBondContact O-N 2.91Å
42	R	94.5	Very high	94	Very high	60 Å²	60	43.2 Å²	43.2	23%	0.226	26%	0.255	C	S	.	.	H	α-helix	trans	-60.3	-45.4	176.6	-66.4	-172.2	179.1	-157.8	-0.9	111.6	P39 L44 K45 A46 L62 L71 D72	P39-R42 HydrophobicContact CB-CG 4.45Å; P39-R42 PolarHBondContact O-N 2.84Å; P39-R42 VanDerWaalsContact O-N 3.14Å; R42-L44 PolarHBondContact O-N 3.41Å; R42-K45 PolarHBondContact O-N 3.05Å; R42-A46 WeakPolarHBondContact O-CB 3.48Å; R42-A46 PolarHBondContact O-N 2.69Å; R42-L62 HydrophobicContact CB-CD2 3.77Å; R42-L71 HydrophobicContact CG-CD2 4.48Å; R42-L71 HydrophobicContact CG-CG 4.27Å; R42-L71 VanDerWaalsContact CZ-CD2 3.43Å; R42-L71 VanDerWaalsContact NH1-CD2 3.3Å; R42-D72 WeakPolarHBondContact CG-OD1 3.45Å; R42-D72 IonicContact CZ-OD1 2.67Å; R42-D72 IonicContact CZ-OD2 3.87Å; R42-D72 IonicContact NE-OD1 3.82Å; R42-D72 PolarHBondContact NE-OD1 2.61Å; R42-D72 IonicContact NE-OD2 3.65Å; R42-D72 IonicContact NH2-OD1 3.13Å; R42-D72 IonicContact NH2-OD2 3.43Å; R42-D72 PolarHBondContact NH2-OD2 3.32Å
43	A	95.3	Very high	93.4	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.3	-42.3	178.3	0	0	0	0	0	112.9	L30 L33 F38 P39 T41 L47	L30-A43 HydrophobicContact CD1-CB 3.84Å; L33-A43 HydrophobicContact CB-CB 3.87Å; L33-A43 HydrophobicContact CD1-CB 4.04Å; F38-A43 HydrophobicContact CB-CB 4.36Å; P39-A43 WeakPolarHBondContact O-CB 3.39Å; P39-A43 PolarHBondContact O-N 3.06Å; T41-A43 PolarHBondContact O-N 3.31Å; A43-L47 VanDerWaalsContact O-CG 3.3Å; A43-L47 WeakPolarHBondContact O-CG 3.39Å; A43-L47 PolarHBondContact O-N 2.74Å
44	L	94.1	Very high	93.2	Very high	18 Å²	18	51.5 Å²	51.5	9%	0.094	29%	0.29	C	S	.	.	H	α-helix	trans	-65.4	-49.1	174.3	-76.9	169.3	0	0	0	111.8	L30 R40 T41 R42 A46 L47 V48 D126 E127	L30-L44 HydrophobicContact CD1-CD2 4.03Å; L30-L44 HydrophobicContact CD1-CG 3.95Å; L30-L44 HydrophobicContact CD2-CD2 3.88Å; L30-L44 HydrophobicContact CD2-CG 4.36Å; R40-L44 HydrophobicContact CG-CD1 4.01Å; R40-L44 WeakPolarHBondContact O-CB 3.38Å; R40-L44 WeakPolarHBondContact O-CG 3.39Å; R40-L44 PolarHBondContact O-N 2.8Å; T41-L44 PolarHBondContact O-N 2.86Å; R42-L44 PolarHBondContact O-N 3.41Å; L44-A46 PolarHBondContact O-N 3.44Å; L44-L47 PolarHBondContact O-N 2.97Å; L44-V48 WeakPolarHBondContact O-CB 3.37Å; L44-V48 VanDerWaalsContact O-CG2 3.3Å; L44-V48 WeakPolarHBondContact O-CG2 3.47Å; L44-V48 PolarHBondContact O-N 2.81Å; L44-D126 HydrophobicContact CB-CB 4.09Å; L44-E127 HydrophobicContact CD1-CB 4.39Å; L44-E127 HydrophobicContact CD1-CG 3.58Å
45	K	94.3	Very high	93.1	Very high	19 Å²	19	50 Å²	50	8%	0.083	28%	0.284	C	S	.	.	H	α-helix	trans	-57.2	-38.1	178.5	-169.9	170.9	-177.7	169.9	0	112.5	T41 R42 S49 W61 F70 L71 D73 D126	T41-K45 WeakPolarHBondContact O-CB 3.49Å; T41-K45 PolarHBondContact O-N 2.91Å; R42-K45 PolarHBondContact O-N 3.05Å; K45-S49 WeakPolarHBondContact O-CB 3.24Å; K45-S49 PolarHBondContact O-N 2.64Å; K45-S49 PolarHBondContact O-OG 3.31Å; K45-W61 HydrophobicContact CD-CH2 4.38Å; K45-W61 HydrophobicContact CG-CH2 4.01Å; K45-W61 HydrophobicContact CG-CZ3 4.49Å; K45-F70 PolarHBondContact NZ-O 2.81Å; K45-L71 VanDerWaalsContact CD-O 3.3Å; K45-L71 WeakPolarHBondContact CD-O 3.4Å; K45-L71 PolarHBondContact NZ-O 3.32Å; K45-D73 PolarHBondContact NZ-O 3.46Å; K45-D126 WeakPolarHBondContact CA-OD2 3.26Å
46	A	95	Very high	93.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-70.2	-45.9	175.6	0	0	0	0	0	113.5	R42 L44 V48 S49 T50 A58 W61 L62	R42-A46 WeakPolarHBondContact O-CB 3.48Å; R42-A46 PolarHBondContact O-N 2.69Å; L44-A46 PolarHBondContact O-N 3.44Å; A46-V48 VanDerWaalsContact C-N 3.3Å; A46-V48 PolarHBondContact O-N 3.26Å; A46-S49 PolarHBondContact O-N 2.63Å; A46-T50 WeakPolarHBondContact O-CB 3.32Å; A46-T50 WeakPolarHBondContact O-CG2 3.5Å; A46-T50 PolarHBondContact O-N 3.17Å; A46-T50 PolarHBondContact O-OG1 3.34Å; A46-A58 HydrophobicContact CB-CB 4.12Å; A46-W61 VanDerWaalsContact CA-CE3 3.47Å; A46-W61 HydrophobicContact CB-CD2 4.27Å; A46-W61 HydrophobicContact CB-CE3 3.41Å; A46-W61 VanDerWaalsContact CB-CE3 3.41Å; A46-W61 HydrophobicContact CB-CZ3 3.9Å; A46-L62 HydrophobicContact CB-CD1 3.94Å; A46-L62 HydrophobicContact CB-CD2 3.87Å; A46-L62 HydrophobicContact CB-CG 3.54Å
47	L	94.8	Very high	93.1	Very high	14 Å²	14	47.2 Å²	47.2	7%	0.073	26%	0.263	C	S	.	.	H	α-helix	trans	-58.1	-46.1	173.8	-75.2	169	0	0	0	110.7	L30 L33 A43 L44 T50 G51 G52 A58	L30-L47 HydrophobicContact CB-CD1 3.91Å; L30-L47 HydrophobicContact CD1-CD1 4.2Å; L33-L47 HydrophobicContact CD1-CD1 3.91Å; L33-L47 HydrophobicContact CD1-CD2 3.93Å; L33-L47 HydrophobicContact CD1-CG 3.67Å; A43-L47 VanDerWaalsContact O-CG 3.3Å; A43-L47 WeakPolarHBondContact O-CG 3.39Å; A43-L47 PolarHBondContact O-N 2.74Å; L44-L47 PolarHBondContact O-N 2.97Å; L47-T50 CarbonylContact O-C 3.59Å; L47-T50 PolarHBondContact O-N 2.94Å; L47-T50 PolarHBondContact O-OG1 3.41Å; L47-G51 PolarHBondContact O-N 3.17Å; L47-G52 PolarHBondContact O-N 3.37Å; L47-A58 HydrophobicContact CD2-CB 3.96Å; L47-A58 HydrophobicContact CG-CB 4.3Å
48	V	94.7	Very high	93.1	Very high	8 Å²	8	44.2 Å²	44.2	5%	0.048	23%	0.232	C	C	.	.	H	α-helix	trans	-69.3	-38	-179.4	172.8	0	0	0	0	111.6	L44 A46 T50 G51 R77 Y79 D126 V129 H315	L44-V48 WeakPolarHBondContact O-CB 3.37Å; L44-V48 VanDerWaalsContact O-CG2 3.3Å; L44-V48 WeakPolarHBondContact O-CG2 3.47Å; L44-V48 PolarHBondContact O-N 2.81Å; A46-V48 VanDerWaalsContact C-N 3.3Å; A46-V48 PolarHBondContact O-N 3.26Å; V48-T50 PolarHBondContact O-N 2.96Å; V48-G51 PolarHBondContact O-N 2.94Å; V48-R77 HydrophobicContact CG1-CG 4.48Å; V48-Y79 WeakPolarHBondContact CG1-OH 3.46Å; V48-D126 HydrophobicContact CB-CB 4.42Å; V48-D126 HydrophobicContact CG2-CB 3.92Å; V48-V129 HydrophobicContact CG1-CG2 4.05Å; V48-V129 HydrophobicContact CG2-CB 3.96Å; V48-V129 HydrophobicContact CG2-CG1 4.22Å; V48-V129 HydrophobicContact CG2-CG2 3.81Å; V48-H315 PolarHBondContact O-CE1 3.26Å
49	S	93.9	Very high	93.2	Very high	15 Å²	15	42.7 Å²	42.7	11%	0.105	23%	0.226	C	C	.	.	H	α-helix	trans	-73.3	-11.7	176.2	-58.2	0	0	0	0	113.6	K45 A46 R77 V313	K45-S49 WeakPolarHBondContact O-CB 3.24Å; K45-S49 PolarHBondContact O-N 2.64Å; K45-S49 PolarHBondContact O-OG 3.31Å; A46-S49 PolarHBondContact O-N 2.63Å; S49-R77 PolarHBondContact OG-NH1 3.25Å; S49-R77 VanDerWaalsContact OG-NH1 3.09Å; S49-V313 VanDerWaalsContact O-CG2 3.27Å; S49-V313 WeakPolarHBondContact O-CG2 3.24Å
50	T	94.3	Very high	93.2	Very high	22 Å²	22	43.2 Å²	43.2	14%	0.135	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111	7.2	175	57	0	0	0	0	113.5	A46 L47 V48 G52 K53 A57 W61	A46-T50 WeakPolarHBondContact O-CB 3.32Å; A46-T50 WeakPolarHBondContact O-CG2 3.5Å; A46-T50 PolarHBondContact O-N 3.17Å; A46-T50 PolarHBondContact O-OG1 3.34Å; L47-T50 CarbonylContact O-C 3.59Å; L47-T50 PolarHBondContact O-N 2.94Å; L47-T50 PolarHBondContact O-OG1 3.41Å; V48-T50 PolarHBondContact O-N 2.96Å; T50-G52 VanDerWaalsContact C-N 3.26Å; T50-G52 PolarHBondContact O-N 3.46Å; T50-K53 VanDerWaalsContact O-CG 3.3Å; T50-K53 WeakPolarHBondContact O-CG 3.41Å; T50-K53 PolarHBondContact O-N 3.08Å; T50-A57 HydrophobicContact CG2-CB 4.31Å; T50-W61 HydrophobicContact CG2-CB 3.82Å; T50-W61 HydrophobicContact CG2-CG 4.13Å
51	G	92.1	Very high	93.2	Very high	17 Å²	17	37.2 Å²	37.2	18%	0.175	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.5	20.9	177.8	0	0	0	0	0	114	L47 V48 K53 V314	L47-G51 PolarHBondContact O-N 3.17Å; V48-G51 PolarHBondContact O-N 2.94Å; G51-K53 PolarHBondContact O-N 2.87Å; G51-V314 WeakPolarHBondContact CA-O 3.43Å
52	G	87.6	Confident	93.4	Very high	38 Å²	38	34.9 Å²	34.9	39%	0.392	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	8.5	-178.7	0	0	0	0	0	115	L47 T50 N54	L47-G52 PolarHBondContact O-N 3.37Å; T50-G52 VanDerWaalsContact C-N 3.26Å; T50-G52 PolarHBondContact O-N 3.46Å; G52-N54 PolarHBondContact O-N 3.08Å
53	K	81.6	Confident	93.4	Very high	150 Å²	150	37.5 Å²	37.5	65%	0.652	20%	0.201	S	C	*	.			trans	-44.4	-57.9	-170.6	-80.1	-179.6	179.6	-163.4	0	113.9	T50 G51	T50-K53 VanDerWaalsContact O-CG 3.3Å; T50-K53 WeakPolarHBondContact O-CG 3.41Å; T50-K53 PolarHBondContact O-N 3.08Å; G51-K53 PolarHBondContact O-N 2.87Å
54	N	90.9	Very high	93.3	Very high	77 Å²	77	40.5 Å²	40.5	41%	0.412	22%	0.222	S	C	.	.			trans	-168.5	172.3	177.2	58.3	68.4	0	0	0	110.9	G52 Q56 A57 A58	G52-N54 PolarHBondContact O-N 3.08Å; N54-Q56 PolarHBondContact O-N 3.46Å; N54-Q56 WeakPolarHBondContact OD1-CA 3.25Å; N54-Q56 WeakPolarHBondContact OD1-CB 3.48Å; N54-Q56 PolarHBondContact OD1-N 3.16Å; N54-A57 PolarHBondContact OD1-N 3.42Å; N54-A58 PolarHBondContact O-N 3.46Å
55	V	93.7	Very high	93.3	Very high	33 Å²	33	39.9 Å²	39.9	20%	0.2	22%	0.219	C	C	.	.	H	α-helix	trans	-63.4	-38.8	179.6	179.8	0	0	0	0	112.4	T29 V32 L33 M36 A58 C59	T29-V55 HydrophobicContact CG2-CG2 4.01Å; V32-V55 HydrophobicContact CB-CG1 4.34Å; V32-V55 HydrophobicContact CB-CG2 3.95Å; V32-V55 HydrophobicContact CG1-CG1 3.83Å; V32-V55 HydrophobicContact CG1-CG2 4.1Å; V32-V55 HydrophobicContact CG2-CG2 4.37Å; L33-V55 HydrophobicContact CD2-CG1 3.87Å; L33-V55 HydrophobicContact CG-CG1 4.23Å; M36-V55 HydrophobicContact SD-CG1 4.27Å; V55-A58 PolarHBondContact O-N 3.12Å; V55-C59 PolarHBondContact O-N 2.92Å; V55-C59 PolarHBondContact O-SG 2.97Å
56	Q	94	Very high	93.2	Very high	116 Å²	116	43.3 Å²	43.3	54%	0.542	24%	0.237	S	C	.	.	H	α-helix	trans	-63.3	-50.7	-176	-176.8	59.7	49	0	0	111.1	N54 A58 C59 D60	N54-Q56 PolarHBondContact O-N 3.46Å; N54-Q56 WeakPolarHBondContact OD1-CA 3.25Å; N54-Q56 WeakPolarHBondContact OD1-CB 3.48Å; N54-Q56 PolarHBondContact OD1-N 3.16Å; Q56-A58 VanDerWaalsContact C-N 3.27Å; Q56-A58 PolarHBondContact O-N 2.72Å; Q56-C59 WeakPolarHBondContact O-CB 3.36Å; Q56-C59 PolarHBondContact O-N 2.87Å; Q56-D60 WeakPolarHBondContact CG-OD2 3.44Å; Q56-D60 PolarHBondContact NE2-OD1 3.42Å; Q56-D60 PolarHBondContact NE2-OD2 3.17Å; Q56-D60 VanDerWaalsContact O-CG 3.29Å; Q56-D60 PolarHBondContact O-N 3.03Å; Q56-D60 VanDerWaalsContact O-OD2 3.13Å
57	A	93.3	Very high	92.9	Very high	27 Å²	27	49.4 Å²	49.4	22%	0.223	27%	0.27	C	S	.	.	H	α-helix	trans	-57.4	-39.4	177.1	0	0	0	0	0	112.6	T50 N54 D60 W61	T50-A57 HydrophobicContact CG2-CB 4.31Å; N54-A57 PolarHBondContact OD1-N 3.42Å; A57-D60 PolarHBondContact O-N 3.13Å; A57-W61 WeakPolarHBondContact O-CB 3.49Å; A57-W61 PolarHBondContact O-N 3.45Å
58	A	95.1	Very high	92.7	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-69.5	-36.9	176.2	0	0	0	0	0	112.6	L33 A46 L47 N54 V55 Q56 L62	L33-A58 HydrophobicContact CD1-CB 3.89Å; L33-A58 HydrophobicContact CD2-CB 4.41Å; A46-A58 HydrophobicContact CB-CB 4.12Å; L47-A58 HydrophobicContact CD2-CB 3.96Å; L47-A58 HydrophobicContact CG-CB 4.3Å; N54-A58 PolarHBondContact O-N 3.46Å; V55-A58 PolarHBondContact O-N 3.12Å; Q56-A58 VanDerWaalsContact C-N 3.27Å; Q56-A58 PolarHBondContact O-N 2.72Å; A58-L62 WeakPolarHBondContact O-CB 3.48Å; A58-L62 VanDerWaalsContact O-CG 3.25Å; A58-L62 WeakPolarHBondContact O-CG 3.25Å; A58-L62 PolarHBondContact O-N 3.5Å
59	C	95.8	Very high	92.3	Very high	4 Å²	4	53.1 Å²	53.1	3%	0.027	30%	0.295	C	S	.	.	H	α-helix	trans	-62.9	-48	171	-71.4	0	0	0	0	111.7	L33 V55 Q56 W61 L62 F63	L33-C59 WeakPolarHBondContact CD2-SG 3.38Å; V55-C59 PolarHBondContact O-N 2.92Å; V55-C59 PolarHBondContact O-SG 2.97Å; Q56-C59 WeakPolarHBondContact O-CB 3.36Å; Q56-C59 PolarHBondContact O-N 2.87Å; C59-W61 VanDerWaalsContact C-N 3.35Å; C59-W61 PolarHBondContact O-N 2.95Å; C59-L62 WeakPolarHBondContact O-CB 3.33Å; C59-L62 PolarHBondContact O-N 3.02Å; C59-L62 VanDerWaalsContact O-N 3.14Å; C59-F63 HydrophobicContact CB-CD2 4.43Å; C59-F63 HydrophobicContact CB-CE2 4.15Å; C59-F63 WeakPolarHBondContact O-CD2 3.21Å; C59-F63 PolarHBondContact O-N 3.36Å
60	D	94.7	Very high	92	Very high	76 Å²	76	56.5 Å²	56.5	41%	0.406	31%	0.308	S	S	.	.	H	α-helix	trans	-62.9	-43.4	-178.6	-63.1	-33.6	0	0	0	110.7	Q56 A57 L62 F63 S64	Q56-D60 WeakPolarHBondContact CG-OD2 3.44Å; Q56-D60 PolarHBondContact NE2-OD1 3.42Å; Q56-D60 PolarHBondContact NE2-OD2 3.17Å; Q56-D60 VanDerWaalsContact O-CG 3.29Å; Q56-D60 PolarHBondContact O-N 3.03Å; Q56-D60 VanDerWaalsContact O-OD2 3.13Å; A57-D60 PolarHBondContact O-N 3.13Å; D60-L62 VanDerWaalsContact C-N 3.34Å; D60-L62 PolarHBondContact O-N 3.41Å; D60-F63 PolarHBondContact O-N 3.15Å; D60-S64 PolarHBondContact O-N 3.26Å; D60-S64 PolarHBondContact O-OG 3.4Å
61	W	95.5	Very high	91.7	Very high	34 Å²	34	55.6 Å²	55.6	13%	0.129	30%	0.302	C	S	.	.	H	α-helix	trans	-57.5	-44.8	172.2	-173.2	90.4	0	0	0	112.1	K45 A46 T50 A57 C59 F63 S64 H65 L71	K45-W61 HydrophobicContact CD-CH2 4.38Å; K45-W61 HydrophobicContact CG-CH2 4.01Å; K45-W61 HydrophobicContact CG-CZ3 4.49Å; A46-W61 VanDerWaalsContact CA-CE3 3.47Å; A46-W61 HydrophobicContact CB-CD2 4.27Å; A46-W61 HydrophobicContact CB-CE3 3.41Å; A46-W61 VanDerWaalsContact CB-CE3 3.41Å; A46-W61 HydrophobicContact CB-CZ3 3.9Å; T50-W61 HydrophobicContact CG2-CB 3.82Å; T50-W61 HydrophobicContact CG2-CG 4.13Å; A57-W61 WeakPolarHBondContact O-CB 3.49Å; A57-W61 PolarHBondContact O-N 3.45Å; C59-W61 VanDerWaalsContact C-N 3.35Å; C59-W61 PolarHBondContact O-N 2.95Å; W61-F63 VanDerWaalsContact C-N 3.34Å; W61-F63 PolarHBondContact O-N 3.49Å; W61-S64 PolarHBondContact O-N 3.13Å; W61-H65 AromaticContact CD1-CE1 3.53Å; W61-H65 AromaticContact CD1-ND1 3.78Å; W61-H65 AromaticContact CD2-ND1 3.8Å; W61-H65 AromaticContact CE2-CD2 3.78Å; W61-H65 AromaticContact CE2-CE1 3.51Å; W61-H65 AromaticContact CE2-CG 3.77Å; W61-H65 AromaticContact CE2-ND1 3.58Å; W61-H65 AromaticContact CE2-NE2 3.58Å; W61-H65 HydrophobicContact CE3-CB 4.5Å; W61-H65 AromaticContact CG-ND1 3.94Å; W61-H65 HydrophobicContact CH2-CB 4.32Å; W61-H65 HydrophobicContact CZ2-CB 4.46Å; W61-H65 AromaticContact CZ2-CD2 3.49Å; W61-H65 VanDerWaalsContact CZ2-CD2 3.49Å; W61-H65 WeakPolarHBondContact CZ2-CD2 3.16Å; W61-H65 AromaticContact CZ2-CG 3.77Å; W61-H65 AromaticContact CZ2-NE2 3.63Å; W61-H65 HydrophobicContact CZ3-CB 4.35Å; W61-H65 AromaticContact NE1-CE1 3.09Å; W61-H65 PolarHBondContact NE1-CE1 3.23Å; W61-H65 AromaticContact NE1-ND1 3.56Å; W61-H65 AromaticContact NE1-NE2 3.39Å; W61-H65 PolarHBondContact NE1-NE2 3.41Å; W61-H65 WeakPolarHBondContact O-CB 3.44Å; W61-H65 PolarHBondContact O-N 3.4Å; W61-H65 PolarHBondContact O-ND1 3.06Å; W61-L71 HydrophobicContact CH2-CD1 3.87Å; W61-L71 HydrophobicContact CZ3-CD1 3.74Å
62	L	95.6	Very high	91.6	Very high	4 Å²	4	59 Å²	59	2%	0.021	32%	0.316	C	S	.	.	H	α-helix	trans	-62.7	-37.4	177.4	-78.3	167.3	0	0	0	113.3	F38 R42 A46 A58 C59 D60 L66	F38-L62 HydrophobicContact CB-CD1 4.36Å; F38-L62 HydrophobicContact CD1-CD1 3.83Å; F38-L62 HydrophobicContact CD2-CD1 4Å; F38-L62 HydrophobicContact CE1-CB 4.33Å; F38-L62 HydrophobicContact CE1-CD1 4.02Å; F38-L62 HydrophobicContact CE2-CD1 4.18Å; F38-L62 HydrophobicContact CG-CD1 3.81Å; F38-L62 HydrophobicContact CZ-CD1 4.19Å; R42-L62 HydrophobicContact CB-CD2 3.77Å; A46-L62 HydrophobicContact CB-CD1 3.94Å; A46-L62 HydrophobicContact CB-CD2 3.87Å; A46-L62 HydrophobicContact CB-CG 3.54Å; A58-L62 WeakPolarHBondContact O-CB 3.48Å; A58-L62 VanDerWaalsContact O-CG 3.25Å; A58-L62 WeakPolarHBondContact O-CG 3.25Å; A58-L62 PolarHBondContact O-N 3.5Å; C59-L62 WeakPolarHBondContact O-CB 3.33Å; C59-L62 PolarHBondContact O-N 3.02Å; C59-L62 VanDerWaalsContact O-N 3.14Å; D60-L62 VanDerWaalsContact C-N 3.34Å; D60-L62 PolarHBondContact O-N 3.41Å; L62-L66 WeakPolarHBondContact O-CG 3.28Å; L62-L66 PolarHBondContact O-N 2.98Å
63	F	94.8	Very high	91.6	Very high	115 Å²	115	60.8 Å²	60.8	50%	0.504	32%	0.317	S	S	.	.	H	α-helix	trans	-72.5	-40	178.7	-70.7	-55.3	0	0	0	111.9	F38 C59 D60 W61 H65 L66	F38-F63 HydrophobicContact CE1-CE1 4.39Å; F38-F63 HydrophobicContact CE1-CZ 4.41Å; F38-F63 HydrophobicContact CZ-CE1 4.23Å; F38-F63 HydrophobicContact CZ-CE2 4.27Å; F38-F63 AromaticContact CZ-CZ 3.81Å; F38-F63 HydrophobicContact CZ-CZ 3.81Å; C59-F63 HydrophobicContact CB-CD2 4.43Å; C59-F63 HydrophobicContact CB-CE2 4.15Å; C59-F63 WeakPolarHBondContact O-CD2 3.21Å; C59-F63 PolarHBondContact O-N 3.36Å; D60-F63 PolarHBondContact O-N 3.15Å; W61-F63 VanDerWaalsContact C-N 3.34Å; W61-F63 PolarHBondContact O-N 3.49Å; F63-H65 VanDerWaalsContact C-N 3.34Å; F63-L66 HydrophobicContact CD1-CD1 4.27Å; F63-L66 WeakPolarHBondContact O-CG 3.45Å
64	S	94	Very high	91.6	Very high	63 Å²	63	63 Å²	63	44%	0.441	32%	0.321	S	S	.	.	H	α-helix	trans	-70.9	-27	176.6	-55.2	0	0	0	0	113.6	D60 W61 G291 T292	D60-S64 PolarHBondContact O-N 3.26Å; D60-S64 PolarHBondContact O-OG 3.4Å; W61-S64 PolarHBondContact O-N 3.13Å; S64-G291 WeakPolarHBondContact CB-O 3.38Å; S64-T292 WeakPolarHBondContact O-CA 3.29Å
65	H	94.6	Very high	91.3	Very high	6 Å²	6	62.9 Å²	62.9	3%	0.028	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	11.4	179.9	-70.8	66.7	0	0	0	114	W61 F63 D67 D68 L71 L290 G291	W61-H65 AromaticContact CD1-CE1 3.53Å; W61-H65 AromaticContact CD1-ND1 3.78Å; W61-H65 AromaticContact CD2-ND1 3.8Å; W61-H65 AromaticContact CE2-CD2 3.78Å; W61-H65 AromaticContact CE2-CE1 3.51Å; W61-H65 AromaticContact CE2-CG 3.77Å; W61-H65 AromaticContact CE2-ND1 3.58Å; W61-H65 AromaticContact CE2-NE2 3.58Å; W61-H65 HydrophobicContact CE3-CB 4.5Å; W61-H65 AromaticContact CG-ND1 3.94Å; W61-H65 HydrophobicContact CH2-CB 4.32Å; W61-H65 HydrophobicContact CZ2-CB 4.46Å; W61-H65 AromaticContact CZ2-CD2 3.49Å; W61-H65 VanDerWaalsContact CZ2-CD2 3.49Å; W61-H65 WeakPolarHBondContact CZ2-CD2 3.16Å; W61-H65 AromaticContact CZ2-CG 3.77Å; W61-H65 AromaticContact CZ2-NE2 3.63Å; W61-H65 HydrophobicContact CZ3-CB 4.35Å; W61-H65 AromaticContact NE1-CE1 3.09Å; W61-H65 PolarHBondContact NE1-CE1 3.23Å; W61-H65 AromaticContact NE1-ND1 3.56Å; W61-H65 AromaticContact NE1-NE2 3.39Å; W61-H65 PolarHBondContact NE1-NE2 3.41Å; W61-H65 WeakPolarHBondContact O-CB 3.44Å; W61-H65 PolarHBondContact O-N 3.4Å; W61-H65 PolarHBondContact O-ND1 3.06Å; F63-H65 VanDerWaalsContact C-N 3.34Å; H65-D67 PolarHBondContact O-N 3.48Å; H65-D67 VanDerWaalsContact O-N 3.1Å; H65-D68 HydrophobicContact CB-CB 4.24Å; H65-D68 IonicContact CD2-OD2 3.45Å; H65-D68 WeakPolarHBondContact O-CB 3.37Å; H65-D68 PolarHBondContact O-N 3.06Å; H65-L71 HydrophobicContact CB-CD1 4.25Å; H65-L71 WeakPolarHBondContact O-CD2 3.49Å; H65-L290 PolarHBondContact CE1-O 3.04Å; H65-L290 VanDerWaalsContact CE1-O 3.29Å; H65-L290 PolarHBondContact NE2-O 3.25Å; H65-G291 VanDerWaalsContact CE1-C 3.48Å; H65-G291 PolarHBondContact CE1-O 3.04Å; H65-G291 PolarHBondContact ND1-O 3.47Å
66	L	91.8	Very high	90.8	Very high	90 Å²	90	63.4 Å²	63.4	47%	0.471	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-33.6	-176.6	-78	176.6	0	0	0	113.5	L62 F63	L62-L66 WeakPolarHBondContact O-CG 3.28Å; L62-L66 PolarHBondContact O-N 2.98Å; F63-L66 HydrophobicContact CD1-CD1 4.27Å; F63-L66 WeakPolarHBondContact O-CG 3.45Å
67	D	87.9	Confident	90.7	Very high	129 Å²	129	58.9 Å²	58.9	69%	0.69	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	2.2	-178.4	-57.5	-57.6	0	0	0	113.4	H65 P69 L294	H65-D67 PolarHBondContact O-N 3.48Å; H65-D67 VanDerWaalsContact O-N 3.1Å; D67-P69 VanDerWaalsContact O-CD 3.31Å; D67-P69 WeakPolarHBondContact O-CD 3.5Å; D67-P69 VanDerWaalsContact O-N 3.15Å; D67-L294 HydrophobicContact CB-CD2 4.01Å; D67-L294 VanDerWaalsContact O-CD2 3.25Å; D67-L294 WeakPolarHBondContact O-CD2 3.31Å
68	D	90.6	Very high	90.8	Very high	6 Å²	6	59 Å²	59	3%	0.032	30%	0.298	C	S	.	.			trans	-60.8	115.7	172.8	178.5	-14.3	0	0	0	108.7	H65 F70 L71 R241	H65-D68 HydrophobicContact CB-CB 4.24Å; H65-D68 IonicContact CD2-OD2 3.45Å; H65-D68 WeakPolarHBondContact O-CB 3.37Å; H65-D68 PolarHBondContact O-N 3.06Å; D68-F70 PolarHBondContact O-N 3.39Å; D68-F70 WeakPolarHBondContact OD1-CA 3.44Å; D68-F70 WeakPolarHBondContact OD1-CB 3.5Å; D68-F70 PolarHBondContact OD1-N 3.19Å; D68-L71 HydrophobicContact CB-CB 4.21Å; D68-L71 VanDerWaalsContact O-CB 3.29Å; D68-L71 WeakPolarHBondContact O-CB 3.29Å; D68-L71 PolarHBondContact O-N 2.94Å; D68-R241 IonicContact OD1-NH1 2.71Å; D68-R241 PolarHBondContact OD1-NH1 2.94Å; D68-R241 IonicContact OD2-CZ 3.57Å; D68-R241 IonicContact OD2-NH1 2.69Å; D68-R241 PolarHBondContact OD2-NH1 2.89Å; D68-R241 IonicContact OD2-NH2 3.44Å; D68-R241 PolarHBondContact OD2-NH2 3.18Å
69	P	87.5	Confident	90.9	Very high	94 Å²	94	59 Å²	59	61%	0.61	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-16	-176.6	25.5	-33.5	0	0	0	113.2	D67	D67-P69 VanDerWaalsContact O-CD 3.31Å; D67-P69 WeakPolarHBondContact O-CD 3.5Å; D67-P69 VanDerWaalsContact O-N 3.15Å
70	F	86.7	Confident	91	Very high	85 Å²	85	58.8 Å²	58.8	37%	0.373	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	13.3	176.3	-48.6	-83	0	0	0	112.7	K45 D68 D72 D73	K45-F70 PolarHBondContact NZ-O 2.81Å; D68-F70 PolarHBondContact O-N 3.39Å; D68-F70 WeakPolarHBondContact OD1-CA 3.44Å; D68-F70 WeakPolarHBondContact OD1-CB 3.5Å; D68-F70 PolarHBondContact OD1-N 3.19Å; F70-D72 VanDerWaalsContact C-N 3.31Å; F70-D72 PolarHBondContact O-N 2.93Å; F70-D73 HydrophobicContact CB-CB 4.28Å; F70-D73 WeakPolarHBondContact O-CB 3.3Å; F70-D73 PolarHBondContact O-N 3.27Å; F70-D73 VanDerWaalsContact O-N 3.11Å
71	L	88.8	Confident	91.1	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-44.1	-178.6	177.5	59.2	0	0	0	112.2	R42 K45 W61 H65 D68	R42-L71 HydrophobicContact CG-CD2 4.48Å; R42-L71 HydrophobicContact CG-CG 4.27Å; R42-L71 VanDerWaalsContact CZ-CD2 3.43Å; R42-L71 VanDerWaalsContact NH1-CD2 3.3Å; K45-L71 VanDerWaalsContact CD-O 3.3Å; K45-L71 WeakPolarHBondContact CD-O 3.4Å; K45-L71 PolarHBondContact NZ-O 3.32Å; W61-L71 HydrophobicContact CH2-CD1 3.87Å; W61-L71 HydrophobicContact CZ3-CD1 3.74Å; H65-L71 HydrophobicContact CB-CD1 4.25Å; H65-L71 WeakPolarHBondContact O-CD2 3.49Å; D68-L71 HydrophobicContact CB-CB 4.21Å; D68-L71 VanDerWaalsContact O-CB 3.29Å; D68-L71 WeakPolarHBondContact O-CB 3.29Å; D68-L71 PolarHBondContact O-N 2.94Å
72	D	88.9	Confident	91.3	Very high	89 Å²	89	53.8 Å²	53.8	48%	0.476	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-5.7	-179.5	-72.9	-47.6	0	0	0	114.5	R42 F70 R74	R42-D72 WeakPolarHBondContact CG-OD1 3.45Å; R42-D72 IonicContact CZ-OD1 2.67Å; R42-D72 IonicContact CZ-OD2 3.87Å; R42-D72 IonicContact NE-OD1 3.82Å; R42-D72 PolarHBondContact NE-OD1 2.61Å; R42-D72 IonicContact NE-OD2 3.65Å; R42-D72 IonicContact NH2-OD1 3.13Å; R42-D72 IonicContact NH2-OD2 3.43Å; R42-D72 PolarHBondContact NH2-OD2 3.32Å; F70-D72 VanDerWaalsContact C-N 3.31Å; F70-D72 PolarHBondContact O-N 2.93Å; D72-R74 PolarHBondContact O-N 3.06Å
73	D	87.8	Confident	91.2	Very high	75 Å²	75	53.7 Å²	53.7	40%	0.401	27%	0.272	S	S	.	.			trans	-68.2	133.4	-180	-87.2	14.4	0	0	0	111.9	K45 F70 L75	K45-D73 PolarHBondContact NZ-O 3.46Å; F70-D73 HydrophobicContact CB-CB 4.28Å; F70-D73 WeakPolarHBondContact O-CB 3.3Å; F70-D73 PolarHBondContact O-N 3.27Å; F70-D73 VanDerWaalsContact O-N 3.11Å; D73-L75 HydrophobicContact CB-CD1 4.36Å; D73-L75 HydrophobicContact CB-CG 4.21Å; D73-L75 PolarHBondContact O-N 3.49Å
74	R	82.4	Confident	91.2	Very high	197 Å²	197	51.3 Å²	51.3	74%	0.743	26%	0.259	S	S	*	.			trans	-82.7	46.9	178.1	-61.7	-174.5	179	-124.4	2.8	112.4	D72 P76 E127	D72-R74 PolarHBondContact O-N 3.06Å; R74-P76 WeakPolarHBondContact O-CD 3.36Å; R74-E127 IonicContact NH1-OE1 3.27Å
75	L	83.1	Confident	91.2	Very high	74 Å²	74	48.3 Å²	48.3	39%	0.387	24%	0.238	S	C	.	.			trans	-81.7	114.3	173.7	-66.9	173.4	0	0	0	109.1	D73 I240 R241	D73-L75 HydrophobicContact CB-CD1 4.36Å; D73-L75 HydrophobicContact CB-CG 4.21Å; D73-L75 PolarHBondContact O-N 3.49Å; L75-I240 HydrophobicContact CB-CG2 4.43Å; L75-R241 HydrophobicContact CD1-CG 3.9Å
76	P	83.8	Confident	91	Very high	44 Å²	44	49.2 Å²	49.2	29%	0.286	25%	0.246	S	C	.	.	P	Polyproline II helix	trans	-67.5	151	176.1	27	-31.7	0	0	0	110.6	R74 M123 C124 I240	R74-P76 WeakPolarHBondContact O-CD 3.36Å; P76-M123 HydrophobicContact CB-CE 4.06Å; P76-M123 HydrophobicContact CG-CB 4.35Å; P76-M123 HydrophobicContact CG-CE 3.76Å; P76-M123 WeakPolarHBondContact O-CE 3.01Å; P76-C124 WeakPolarHBondContact CB-O 3.41Å; P76-I240 VanDerWaalsContact O-CG2 3.23Å; P76-I240 WeakPolarHBondContact O-CG2 3.37Å
77	R	92.2	Very high	90.9	Very high	21 Å²	21	46.7 Å²	46.7	8%	0.079	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	156.8	170.5	-64.1	-179.3	76.6	93.4	2.3	111.1	V48 S49 Y79 M123 C124 S237 V313	V48-R77 HydrophobicContact CG1-CG 4.48Å; S49-R77 PolarHBondContact OG-NH1 3.25Å; S49-R77 VanDerWaalsContact OG-NH1 3.09Å; R77-Y79 HydrophobicContact CB-CD2 4.45Å; R77-Y79 HydrophobicContact CB-CE2 3.66Å; R77-Y79 VanDerWaalsContact O-CD2 3.23Å; R77-Y79 WeakPolarHBondContact O-CD2 3.4Å; R77-Y79 VanDerWaalsContact O-CE2 3.23Å; R77-Y79 WeakPolarHBondContact O-CE2 3.3Å; R77-M123 VanDerWaalsContact C-CE 3.47Å; R77-M123 VanDerWaalsContact O-CE 3.27Å; R77-M123 WeakPolarHBondContact O-CE 3.49Å; R77-C124 PolarHBondContact O-N 2.94Å; R77-S237 PolarHBondContact NE-OG 3.26Å; R77-S237 PolarHBondContact NH2-O 3.36Å; R77-V313 VanDerWaalsContact NH2-CG2 3.33Å
78	E	95.1	Very high	91	Very high	29 Å²	29	43.6 Å²	43.6	14%	0.136	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.9	175.7	-165.3	-173.7	-136.5	0	0	109.6	F121 M123 S237 R238 I240	E78-F121 HydrophobicContact CG-CB 3.76Å; E78-F121 HydrophobicContact CG-CD1 3.81Å; E78-F121 HydrophobicContact CG-CG 4.16Å; E78-F121 WeakPolarHBondContact OE1-CB 3.44Å; E78-M123 HydrophobicContact CB-CE 4.13Å; E78-M123 HydrophobicContact CB-SD 3.76Å; E78-M123 HydrophobicContact CG-SD 3.72Å; E78-S237 CarbonylContact O-C 3.53Å; E78-S237 WeakPolarHBondContact O-CA 3.41Å; E78-S237 VanDerWaalsContact O-CB 3.27Å; E78-S237 WeakPolarHBondContact O-CB 3.3Å; E78-R238 HydrophobicContact CB-CG 4.33Å; E78-R238 PolarHBondContact N-O 2.07Å; E78-R238 PolarHBondContact O-N 3.38Å; E78-R238 IonicContact OE1-NH2 2.66Å; E78-R238 IonicContact OE2-CZ 2.68Å; E78-R238 IonicContact OE2-NE 3.53Å; E78-R238 PolarHBondContact OE2-NE 2.83Å; E78-R238 IonicContact OE2-NH2 2.77Å; E78-R238 PolarHBondContact OE2-NH2 2.94Å; E78-I240 HydrophobicContact CB-CD1 4.11Å; E78-I240 HydrophobicContact CG-CD1 4.39Å
79	Y	97.3	Very high	91	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	152.8	-171.5	-67.8	-101.2	0	0	0	111.7	V48 R77 F121 F122 C124 V129 L132 L235 L236 S237 H315	V48-Y79 WeakPolarHBondContact CG1-OH 3.46Å; R77-Y79 HydrophobicContact CB-CD2 4.45Å; R77-Y79 HydrophobicContact CB-CE2 3.66Å; R77-Y79 VanDerWaalsContact O-CD2 3.23Å; R77-Y79 WeakPolarHBondContact O-CD2 3.4Å; R77-Y79 VanDerWaalsContact O-CE2 3.23Å; R77-Y79 WeakPolarHBondContact O-CE2 3.3Å; Y79-F121 VanDerWaalsContact O-CA 3.31Å; Y79-F121 WeakPolarHBondContact O-CA 3.36Å; Y79-F122 HydrophobicContact CG-CE2 4.31Å; Y79-F122 PolarHBondContact N-O 3.49Å; Y79-F122 WeakPolarHBondContact O-CD1 3.07Å; Y79-F122 PolarHBondContact O-N 3.37Å; Y79-C124 HydrophobicContact CD2-CB 3.62Å; Y79-C124 HydrophobicContact CE2-CB 3.53Å; Y79-C124 HydrophobicContact CG-CB 4.38Å; Y79-V129 HydrophobicContact CE1-CG1 4.29Å; Y79-V129 HydrophobicContact CE1-CG2 4.45Å; Y79-V129 WeakPolarHBondContact OH-CG2 3.34Å; Y79-L132 HydrophobicContact CD1-CD2 4.14Å; Y79-L132 HydrophobicContact CE1-CD2 4.49Å; Y79-L132 HydrophobicContact CG-CD2 4.38Å; Y79-L235 HydrophobicContact CD1-CD1 4.14Å; Y79-L235 HydrophobicContact CD1-CD2 4.42Å; Y79-L235 HydrophobicContact CD1-CG 4.21Å; Y79-L236 CarbonylContact C-O 3.53Å; Y79-L236 VanDerWaalsContact CA-O 3.27Å; Y79-L236 WeakPolarHBondContact CA-O 3.46Å; Y79-S237 VanDerWaalsContact CD1-CB 3.47Å; Y79-S237 VanDerWaalsContact CE1-CB 3.44Å; Y79-H315 AromaticContact CE1-CD2 3.79Å; Y79-H315 AromaticContact CE1-CE1 3.99Å; Y79-H315 AromaticContact CE1-NE2 3.72Å
80	V	97.6	Very high	91.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	143.8	171.2	71	0	0	0	0	111.2	Y82 F121 L236 W312	V80-Y82 HydrophobicContact CB-CE1 4.18Å; V80-Y82 HydrophobicContact CG1-CD1 4.17Å; V80-Y82 HydrophobicContact CG1-CD2 4.45Å; V80-Y82 HydrophobicContact CG1-CE1 3.74Å; V80-Y82 HydrophobicContact CG1-CE2 4.04Å; V80-Y82 HydrophobicContact CG2-CD1 3.82Å; V80-Y82 HydrophobicContact CG2-CE1 3.34Å; V80-F121 HydrophobicContact CB-CD1 3.72Å; V80-F121 HydrophobicContact CB-CE1 3.72Å; V80-F121 HydrophobicContact CB-CG 4.35Å; V80-F121 HydrophobicContact CB-CZ 4.35Å; V80-F121 HydrophobicContact CG1-CD1 4.21Å; V80-F121 HydrophobicContact CG1-CE1 3.7Å; V80-F121 HydrophobicContact CG1-CZ 4.21Å; V80-F121 HydrophobicContact CG2-CD1 4.38Å; V80-F121 HydrophobicContact CG2-CE1 4.42Å; V80-L236 HydrophobicContact CG1-CB 4.48Å; V80-L236 PolarHBondContact N-O 3.21Å; V80-L236 PolarHBondContact O-N 2.96Å; V80-W312 HydrophobicContact CG1-CE3 4.47Å; V80-W312 HydrophobicContact CG1-CZ3 3.8Å
81	L	98.1	Very high	91.4	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	121.8	173.7	-179	65	0	0	0	109.9	L118 C119 L136 F177 F181 A233	L81-L118 HydrophobicContact CD2-CB 4.47Å; L81-L118 HydrophobicContact CD2-CD1 4Å; L81-L118 HydrophobicContact CG-CB 4.37Å; L81-L118 HydrophobicContact CG-CD1 4.08Å; L81-L118 WeakPolarHBondContact O-CB 3.43Å; L81-L118 PolarHBondContact O-N 3.43Å; L81-L118 VanDerWaalsContact O-N 3.1Å; L81-C119 PolarHBondContact N-SG 2.79Å; L81-L136 HydrophobicContact CD1-CD1 3.69Å; L81-L136 HydrophobicContact CD1-CD2 3.89Å; L81-L136 HydrophobicContact CD1-CG 4.48Å; L81-L136 HydrophobicContact CD2-CD1 4.13Å; L81-F177 HydrophobicContact CD2-CE1 4.08Å; L81-F181 HydrophobicContact CB-CE1 4.23Å; L81-F181 HydrophobicContact CD2-CB 4.28Å; L81-F181 HydrophobicContact CD2-CD1 3.46Å; L81-F181 VanDerWaalsContact CD2-CD1 3.46Å; L81-F181 HydrophobicContact CD2-CE1 3.86Å; L81-F181 HydrophobicContact CD2-CG 3.81Å; L81-A233 HydrophobicContact CD1-CB 4.4Å
82	Y	97.8	Very high	91.6	Very high	5 Å²	5	45.3 Å²	45.3	2%	0.02	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	154.4	176.9	-70.4	-15.1	0	0	0	111.8	V80 I112 F113 H115 I116 T117 V234 L236 W312	V80-Y82 HydrophobicContact CB-CE1 4.18Å; V80-Y82 HydrophobicContact CG1-CD1 4.17Å; V80-Y82 HydrophobicContact CG1-CD2 4.45Å; V80-Y82 HydrophobicContact CG1-CE1 3.74Å; V80-Y82 HydrophobicContact CG1-CE2 4.04Å; V80-Y82 HydrophobicContact CG2-CD1 3.82Å; V80-Y82 HydrophobicContact CG2-CE1 3.34Å; Y82-I112 HydrophobicContact CE2-CG2 3.85Å; Y82-F113 HydrophobicContact CD2-CE2 4.29Å; Y82-F113 AromaticContact CD2-CZ 3.97Å; Y82-F113 HydrophobicContact CD2-CZ 3.97Å; Y82-H115 AromaticContact CD1-CD2 3.59Å; Y82-H115 HydrophobicContact CD2-CB 4.03Å; Y82-H115 AromaticContact CD2-CD2 3.5Å; Y82-H115 VanDerWaalsContact CD2-CD2 3.5Å; Y82-H115 WeakPolarHBondContact CD2-CD2 3.5Å; Y82-H115 AromaticContact CD2-CG 3.67Å; Y82-H115 AromaticContact CE1-CD2 3.64Å; Y82-H115 AromaticContact CE1-NE2 3.72Å; Y82-H115 AromaticContact CE2-CD2 3.56Å; Y82-H115 AromaticContact CE2-CE1 4Å; Y82-H115 AromaticContact CE2-CG 3.89Å; Y82-H115 AromaticContact CE2-NE2 3.68Å; Y82-H115 HydrophobicContact CG-CB 4.24Å; Y82-H115 AromaticContact CG-CD2 3.52Å; Y82-H115 AromaticContact CZ-CD2 3.64Å; Y82-H115 AromaticContact CZ-NE2 3.47Å; Y82-I116 WeakPolarHBondContact CA-O 3.4Å; Y82-T117 HydrophobicContact CE1-CG2 4.09Å; Y82-T117 VanDerWaalsContact CE1-OG1 3.28Å; Y82-T117 WeakPolarHBondContact CE1-OG1 3.33Å; Y82-V234 PolarHBondContact N-O 3.19Å; Y82-V234 PolarHBondContact O-N 3.27Å; Y82-L236 HydrophobicContact CD2-CD1 3.88Å; Y82-L236 HydrophobicContact CG-CD1 4.35Å; Y82-W312 HydrophobicContact CE2-CH2 4.16Å; Y82-W312 AromaticContact CE2-CZ3 3.55Å; Y82-W312 HydrophobicContact CE2-CZ3 3.55Å; Y82-W312 AromaticContact CZ-CZ3 3.89Å; Y82-W312 WeakPolarHBondContact OH-CH2 3.44Å
83	L	95.4	Very high	91.9	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	122.3	157.4	-61	172.5	0	0	0	109.3	H115 I116 L118 L174 W231 L232 A233 F320	L83-H115 CarbonylContact O-C 3.59Å; L83-H115 VanDerWaalsContact O-CA 3.31Å; L83-H115 WeakPolarHBondContact O-CA 3.16Å; L83-I116 HydrophobicContact CB-CB 4.2Å; L83-I116 PolarHBondContact N-O 3.14Å; L83-I116 PolarHBondContact O-N 3.42Å; L83-L118 HydrophobicContact CD1-CD1 4.1Å; L83-L118 HydrophobicContact CD1-CD2 3.86Å; L83-L118 HydrophobicContact CD1-CG 4.21Å; L83-L118 HydrophobicContact CD2-CD1 3.83Å; L83-L118 HydrophobicContact CG-CD1 3.59Å; L83-L118 HydrophobicContact CG-CD2 4.09Å; L83-L118 HydrophobicContact CG-CG 3.86Å; L83-L174 HydrophobicContact CD1-CD1 3.79Å; L83-L174 HydrophobicContact CD1-CD2 3.84Å; L83-L174 HydrophobicContact CD1-CG 4.3Å; L83-W231 HydrophobicContact CB-CE3 3.86Å; L83-W231 HydrophobicContact CB-CZ3 4.43Å; L83-L232 CarbonylContact C-O 3.59Å; L83-L232 WeakPolarHBondContact CA-O 3.27Å; L83-A233 HydrophobicContact CD2-CB 4.16Å; L83-F320 HydrophobicContact CD2-CE2 3.65Å; L83-F320 HydrophobicContact CD2-CZ 4.24Å
84	R	94.6	Very high	92.1	Very high	65 Å²	65	39.9 Å²	39.9	25%	0.245	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.8	175.1	-175.9	179.3	170	-165.2	-4.1	109.1	F113 L232 V234	R84-F113 HydrophobicContact CB-CE2 4.27Å; R84-F113 HydrophobicContact CG-CD2 4.18Å; R84-F113 HydrophobicContact CG-CE2 4.09Å; R84-L232 PolarHBondContact N-O 3.47Å; R84-L232 PolarHBondContact O-N 3.39Å; R84-V234 HydrophobicContact CB-CG2 3.97Å
85	P	93.1	Very high	92.6	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	154.8	171.3	30.4	-31.8	0	0	0	109.8	L89 L90 L93 P114 W231	P85-L89 HydrophobicContact CB-CD2 4.28Å; P85-L90 HydrophobicContact CG-CD1 4.36Å; P85-L90 WeakPolarHBondContact O-CB 3.47Å; P85-L90 WeakPolarHBondContact O-CD2 3.42Å; P85-L93 HydrophobicContact CG-CD1 3.74Å; P85-P114 VanDerWaalsContact CD-O 3.28Å; P85-P114 WeakPolarHBondContact CD-O 3.48Å; P85-W231 HydrophobicContact CB-CE3 4.11Å; P85-W231 HydrophobicContact CB-CH2 3.89Å; P85-W231 HydrophobicContact CB-CZ2 4.25Å; P85-W231 HydrophobicContact CB-CZ3 3.8Å; P85-W231 HydrophobicContact CG-CH2 4.32Å; P85-W231 HydrophobicContact CG-CZ3 4.1Å
86	S	90.3	Very high	93.2	Very high	26 Å²	26	32.3 Å²	32.3	18%	0.182	17%	0.173	C	C	.	.			trans	-127.7	179.7	174.6	68.4	0	0	0	0	111.3	C229 D230	S86-C229 WeakPolarHBondContact O-CB 3.47Å; S86-D230 WeakPolarHBondContact CB-O 3.26Å; S86-D230 PolarHBondContact N-O 3.25Å; S86-D230 WeakPolarHBondContact OG-CB 3.28Å; S86-D230 PolarHBondContact OG-N 3.48Å; S86-D230 PolarHBondContact OG-O 2.97Å
87	G	89.3	Confident	93.6	Very high	37 Å²	37	31.4 Å²	31.4	38%	0.381	16%	0.164	S	C	.	.	H	α-helix	trans	60.4	-143.3	173.7	0	0	0	0	0	114.2	L89 L90 Q91	G87-L89 PolarHBondContact O-N 3.28Å; G87-L90 PolarHBondContact O-N 2.84Å; G87-Q91 PolarHBondContact O-N 3.21Å; G87-Q91 VanDerWaalsContact O-N 3.15Å
88	P	89.9	Confident	93.4	Very high	63 Å²	63	35.8 Å²	35.8	41%	0.409	18%	0.184	S	C	.	.	H	α-helix	trans	-58.7	-43.7	-172.4	-27	35.9	0	0	0	114.7	L90 Q91 Q92 A227	P88-L90 VanDerWaalsContact C-N 3.33Å; P88-L90 PolarHBondContact O-N 2.92Å; P88-Q91 WeakPolarHBondContact O-CB 3.47Å; P88-Q91 PolarHBondContact O-N 3.46Å; P88-Q91 VanDerWaalsContact O-N 3.13Å; P88-Q92 WeakPolarHBondContact O-CG 3.47Å; P88-Q92 PolarHBondContact O-N 3.43Å; P88-A227 HydrophobicContact CB-CB 4.17Å
89	L	91.1	Very high	93.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-63.3	-40.2	-179.9	-176	62.6	0	0	0	111.5	P85 G87 Q91 Q92 L93 L153 I223 C229 W231	P85-L89 HydrophobicContact CB-CD2 4.28Å; G87-L89 PolarHBondContact O-N 3.28Å; L89-Q91 VanDerWaalsContact C-N 3.33Å; L89-Q91 PolarHBondContact O-N 2.92Å; L89-Q92 PolarHBondContact O-N 2.97Å; L89-L93 HydrophobicContact CD1-CD1 4.35Å; L89-L93 HydrophobicContact CD1-CG 4.41Å; L89-L93 HydrophobicContact CD2-CD1 4.46Å; L89-L93 HydrophobicContact CG-CD1 3.91Å; L89-L93 HydrophobicContact CG-CG 4.43Å; L89-L93 WeakPolarHBondContact O-CB 3.49Å; L89-L93 WeakPolarHBondContact O-CG 3.28Å; L89-L93 PolarHBondContact O-N 2.94Å; L89-L153 HydrophobicContact CD2-CD1 3.84Å; L89-I223 HydrophobicContact CD1-CG2 3.92Å; L89-C229 HydrophobicContact CB-CB 3.79Å; L89-C229 WeakPolarHBondContact CD2-SG 3.38Å; L89-W231 HydrophobicContact CD2-CH2 4.47Å; L89-W231 HydrophobicContact CD2-CZ2 4.06Å
90	L	91.6	Very high	93.1	Very high	33 Å²	33	37.5 Å²	37.5	17%	0.173	19%	0.192	C	C	.	.	H	α-helix	trans	-61.7	-40.8	174.2	178.6	64.4	0	0	0	111.6	P85 G87 P88 L93 T94	P85-L90 HydrophobicContact CG-CD1 4.36Å; P85-L90 WeakPolarHBondContact O-CB 3.47Å; P85-L90 WeakPolarHBondContact O-CD2 3.42Å; G87-L90 PolarHBondContact O-N 2.84Å; P88-L90 VanDerWaalsContact C-N 3.33Å; P88-L90 PolarHBondContact O-N 2.92Å; L90-L93 PolarHBondContact O-N 3.11Å; L90-T94 VanDerWaalsContact O-CB 3.26Å; L90-T94 WeakPolarHBondContact O-CB 3.34Å; L90-T94 PolarHBondContact O-N 3.45Å; L90-T94 PolarHBondContact O-OG1 2.75Å
91	Q	91.5	Very high	92.7	Very high	141 Å²	141	41.2 Å²	41.2	66%	0.659	21%	0.206	S	C	*	.	H	α-helix	trans	-62.2	-43.2	177.3	-67.6	174	-6.6	0	0	111.7	G87 P88 L89 T94 H95	G87-Q91 PolarHBondContact O-N 3.21Å; G87-Q91 VanDerWaalsContact O-N 3.15Å; P88-Q91 WeakPolarHBondContact O-CB 3.47Å; P88-Q91 PolarHBondContact O-N 3.46Å; P88-Q91 VanDerWaalsContact O-N 3.13Å; L89-Q91 VanDerWaalsContact C-N 3.33Å; L89-Q91 PolarHBondContact O-N 2.92Å; Q91-T94 PolarHBondContact O-N 3.07Å; Q91-H95 WeakPolarHBondContact O-CB 3.46Å; Q91-H95 PolarHBondContact O-N 2.85Å
92	Q	93.5	Very high	92.3	Very high	50 Å²	50	47.7 Å²	47.7	23%	0.234	24%	0.24	C	C	.	.	H	α-helix	trans	-67.5	-44.5	177.5	-65.4	-179	12.5	0	0	112.3	P88 L89 T94 H95 F96 I223	P88-Q92 WeakPolarHBondContact O-CG 3.47Å; P88-Q92 PolarHBondContact O-N 3.43Å; L89-Q92 PolarHBondContact O-N 2.97Å; Q92-T94 VanDerWaalsContact C-N 3.31Å; Q92-T94 PolarHBondContact O-N 2.97Å; Q92-H95 WeakPolarHBondContact O-CB 3.49Å; Q92-H95 PolarHBondContact O-N 2.94Å; Q92-F96 PolarHBondContact O-N 3.23Å; Q92-I223 HydrophobicContact CB-CG2 4.2Å
93	L	94.3	Very high	91.8	Very high	2 Å²	2	51.2 Å²	51.2	1%	0.01	26%	0.262	C	S	.	.	H	α-helix	trans	-60.7	-39.9	173.5	-72.9	166.4	0	0	0	111.6	P85 L89 L90 F96 W97 P114 L164 V202 M204 I223	P85-L93 HydrophobicContact CG-CD1 3.74Å; L89-L93 HydrophobicContact CD1-CD1 4.35Å; L89-L93 HydrophobicContact CD1-CG 4.41Å; L89-L93 HydrophobicContact CD2-CD1 4.46Å; L89-L93 HydrophobicContact CG-CD1 3.91Å; L89-L93 HydrophobicContact CG-CG 4.43Å; L89-L93 WeakPolarHBondContact O-CB 3.49Å; L89-L93 WeakPolarHBondContact O-CG 3.28Å; L89-L93 PolarHBondContact O-N 2.94Å; L90-L93 PolarHBondContact O-N 3.11Å; L93-F96 PolarHBondContact O-N 3.48Å; L93-W97 WeakPolarHBondContact O-CB 3.48Å; L93-W97 PolarHBondContact O-N 2.89Å; L93-P114 HydrophobicContact CB-CB 4.05Å; L93-P114 HydrophobicContact CB-CG 4.01Å; L93-P114 HydrophobicContact CD1-CB 4.05Å; L93-P114 HydrophobicContact CG-CB 4.48Å; L93-L164 HydrophobicContact CD2-CD1 4.09Å; L93-V202 HydrophobicContact CD1-CG1 4.42Å; L93-V202 HydrophobicContact CD2-CG1 4.34Å; L93-M204 HydrophobicContact CD2-CG 4.09Å; L93-M204 HydrophobicContact CD2-SD 4.27Å; L93-I223 HydrophobicContact CD2-CD1 3.94Å
94	T	91.9	Very high	91.4	Very high	48 Å²	48	51.9 Å²	51.9	29%	0.294	27%	0.266	S	S	.	.	H	α-helix	trans	-67.6	-36.8	175.5	-56.7	0	0	0	0	111.9	L90 Q91 Q92 W97 K98	L90-T94 VanDerWaalsContact O-CB 3.26Å; L90-T94 WeakPolarHBondContact O-CB 3.34Å; L90-T94 PolarHBondContact O-N 3.45Å; L90-T94 PolarHBondContact O-OG1 2.75Å; Q91-T94 PolarHBondContact O-N 3.07Å; Q92-T94 VanDerWaalsContact C-N 3.31Å; Q92-T94 PolarHBondContact O-N 2.97Å; T94-W97 WeakPolarHBondContact O-CB 3.49Å; T94-W97 PolarHBondContact O-N 2.94Å; T94-K98 HydrophobicContact CG2-CD 4.38Å; T94-K98 WeakPolarHBondContact O-CG 3.29Å; T94-K98 PolarHBondContact O-N 3.46Å
95	H	93.4	Very high	91.1	Very high	108 Å²	108	50.4 Å²	50.4	50%	0.5	27%	0.271	S	S	.	.	H	α-helix	trans	-64.3	-48.4	173.5	180	82.2	0	0	0	111.1	Q91 Q92 W97 K98 Q99	Q91-H95 WeakPolarHBondContact O-CB 3.46Å; Q91-H95 PolarHBondContact O-N 2.85Å; Q92-H95 WeakPolarHBondContact O-CB 3.49Å; Q92-H95 PolarHBondContact O-N 2.94Å; H95-W97 VanDerWaalsContact C-N 3.28Å; H95-W97 PolarHBondContact O-N 3.35Å; H95-K98 PolarHBondContact O-N 2.7Å; H95-Q99 WeakPolarHBondContact O-CB 3.35Å; H95-Q99 WeakPolarHBondContact O-CG 3.43Å; H95-Q99 PolarHBondContact O-N 2.7Å
96	F	94.9	Very high	90.8	Very high	3 Å²	3	54.3 Å²	54.3	1%	0.013	29%	0.288	C	S	.	.	H	α-helix	trans	-53.9	-45.6	172	173.6	-82.8	0	0	0	111.5	Q92 L93 K98 Q99 S100 M204 A205 L216 L219 A220 I223	Q92-F96 PolarHBondContact O-N 3.23Å; L93-F96 PolarHBondContact O-N 3.48Å; F96-K98 PolarHBondContact O-N 2.67Å; F96-Q99 PolarHBondContact O-N 3.31Å; F96-S100 VanDerWaalsContact O-CB 3.23Å; F96-S100 WeakPolarHBondContact O-CB 3.4Å; F96-S100 PolarHBondContact O-N 3.39Å; F96-S100 PolarHBondContact O-OG 2.86Å; F96-M204 HydrophobicContact CD1-CB 4.3Å; F96-M204 HydrophobicContact CD1-CE 3.86Å; F96-M204 HydrophobicContact CD2-CE 3.55Å; F96-M204 HydrophobicContact CE1-CB 3.75Å; F96-M204 HydrophobicContact CE1-CE 3.85Å; F96-M204 WeakPolarHBondContact CE1-O 3.4Å; F96-M204 HydrophobicContact CE2-CE 3.52Å; F96-M204 HydrophobicContact CG-CE 3.75Å; F96-M204 HydrophobicContact CZ-CB 4.14Å; F96-M204 HydrophobicContact CZ-CE 3.68Å; F96-A205 HydrophobicContact CZ-CB 4.37Å; F96-L216 HydrophobicContact CZ-CD2 4.32Å; F96-L219 HydrophobicContact CD2-CB 3.62Å; F96-L219 HydrophobicContact CE2-CB 3.72Å; F96-A220 HydrophobicContact CD2-CB 4.46Å; F96-A220 HydrophobicContact CE2-CB 3.9Å; F96-I223 HydrophobicContact CB-CD1 3.86Å; F96-I223 HydrophobicContact CD2-CD1 4.24Å; F96-I223 HydrophobicContact CG-CD1 4.13Å
97	W	91.8	Very high	90.8	Very high	25 Å²	25	53.6 Å²	53.6	10%	0.095	28%	0.283	C	S	.	.	H	α-helix	trans	-57.5	-49.6	179.4	-155	-108.7	0	0	0	112.6	L93 T94 H95 S100 R101 A109 H110 I112 P114	L93-W97 WeakPolarHBondContact O-CB 3.48Å; L93-W97 PolarHBondContact O-N 2.89Å; T94-W97 WeakPolarHBondContact O-CB 3.49Å; T94-W97 PolarHBondContact O-N 2.94Å; H95-W97 VanDerWaalsContact C-N 3.28Å; H95-W97 PolarHBondContact O-N 3.35Å; W97-S100 PolarHBondContact O-OG 2.87Å; W97-R101 VanDerWaalsContact NE1-NH2 3.11Å; W97-R101 WeakPolarHBondContact O-CB 3.49Å; W97-R101 PolarHBondContact O-N 3.21Å; W97-R101 VanDerWaalsContact O-N 3.07Å; W97-A109 HydrophobicContact CH2-CB 4.01Å; W97-A109 WeakPolarHBondContact CH2-O 3.3Å; W97-A109 VanDerWaalsContact CZ2-O 3.25Å; W97-A109 WeakPolarHBondContact CZ2-O 3.32Å; W97-A109 HydrophobicContact CZ3-CB 3.99Å; W97-H110 AromaticContact CD2-CD2 3.67Å; W97-H110 AromaticContact CE2-CD2 3.76Å; W97-H110 AromaticContact NE1-CD2 3.98Å; W97-H110 PolarHBondContact O-NE2 3.07Å; W97-I112 WeakPolarHBondContact CH2-O 3.39Å; W97-I112 WeakPolarHBondContact CZ2-O 3.43Å; W97-P114 HydrophobicContact CD2-CG 4.34Å; W97-P114 HydrophobicContact CE3-CG 3.94Å; W97-P114 HydrophobicContact CH2-CG 4.39Å; W97-P114 HydrophobicContact CZ3-CG 3.99Å
98	K	89.1	Confident	90.7	Very high	114 Å²	114	57.1 Å²	57.1	50%	0.496	29%	0.287	S	S	.	.	H	α-helix	trans	-67.5	-46.9	-179.8	-70.3	-179.2	178.7	-172.1	0	111	T94 H95 F96 R101 L102	T94-K98 HydrophobicContact CG2-CD 4.38Å; T94-K98 WeakPolarHBondContact O-CG 3.29Å; T94-K98 PolarHBondContact O-N 3.46Å; H95-K98 PolarHBondContact O-N 2.7Å; F96-K98 PolarHBondContact O-N 2.67Å; K98-R101 PolarHBondContact O-N 3.13Å; K98-L102 VanDerWaalsContact O-CG 3.28Å; K98-L102 WeakPolarHBondContact O-CG 3.41Å; K98-L102 PolarHBondContact O-N 3.48Å
99	Q	92.3	Very high	90.8	Very high	65 Å²	65	54.5 Å²	54.5	30%	0.304	27%	0.271	S	S	.	.	H	α-helix	trans	-64.5	-46.2	179.1	-68.6	-57.6	-48.5	0	0	112.1	H95 F96 R101 L102 T103 L219	H95-Q99 WeakPolarHBondContact O-CB 3.35Å; H95-Q99 WeakPolarHBondContact O-CG 3.43Å; H95-Q99 PolarHBondContact O-N 2.7Å; F96-Q99 PolarHBondContact O-N 3.31Å; Q99-R101 VanDerWaalsContact C-N 3.32Å; Q99-R101 PolarHBondContact O-N 3.39Å; Q99-L102 PolarHBondContact O-N 2.92Å; Q99-T103 PolarHBondContact O-N 3.33Å; Q99-T103 PolarHBondContact O-OG1 3.46Å; Q99-L219 HydrophobicContact CB-CD1 4.03Å; Q99-L219 HydrophobicContact CB-CD2 4.03Å
100	S	93.8	Very high	90.9	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-60.8	-38.1	176.3	57.9	0	0	0	0	112.7	F96 W97 C104 H110 L216	F96-S100 VanDerWaalsContact O-CB 3.23Å; F96-S100 WeakPolarHBondContact O-CB 3.4Å; F96-S100 PolarHBondContact O-N 3.39Å; F96-S100 PolarHBondContact O-OG 2.86Å; W97-S100 PolarHBondContact O-OG 2.87Å; S100-C104 WeakPolarHBondContact O-CA 3.37Å; S100-C104 VanDerWaalsContact O-CB 3.23Å; S100-C104 WeakPolarHBondContact O-CB 3.49Å; S100-C104 PolarHBondContact O-N 3.04Å; S100-H110 WeakPolarHBondContact CB-NE2 3.39Å; S100-H110 PolarHBondContact O-CE1 3.32Å; S100-H110 PolarHBondContact OG-NE2 3.22Å; S100-L216 VanDerWaalsContact CB-CD2 3.47Å
101	R	90.2	Very high	90.9	Very high	78 Å²	78	54.7 Å²	54.7	29%	0.294	27%	0.272	S	S	.	.	H	α-helix	trans	-66.5	-41.4	175.1	-167.4	178	-61.7	-164.5	3.5	112.2	W97 K98 Q99 G105 H110 D307	W97-R101 VanDerWaalsContact NE1-NH2 3.11Å; W97-R101 WeakPolarHBondContact O-CB 3.49Å; W97-R101 PolarHBondContact O-N 3.21Å; W97-R101 VanDerWaalsContact O-N 3.07Å; K98-R101 PolarHBondContact O-N 3.13Å; Q99-R101 VanDerWaalsContact C-N 3.32Å; Q99-R101 PolarHBondContact O-N 3.39Å; R101-G105 CarbonylContact O-C 3.6Å; R101-G105 VanDerWaalsContact O-CA 3.22Å; R101-G105 WeakPolarHBondContact O-CA 3.46Å; R101-G105 PolarHBondContact O-N 3.41Å; R101-G105 VanDerWaalsContact O-N 3.11Å; R101-H110 WeakPolarHBondContact CA-CE1 3.33Å; R101-H110 VanDerWaalsContact CB-CE1 3.49Å; R101-H110 WeakPolarHBondContact CB-CE1 3.04Å; R101-H110 PolarHBondContact N-CE1 2.84Å; R101-H110 PolarHBondContact N-NE2 3.14Å; R101-H110 PolarHBondContact NH2-O 3.43Å; R101-D307 IonicContact CZ-OD1 2.71Å; R101-D307 IonicContact CZ-OD2 3.22Å; R101-D307 IonicContact NH1-OD1 2.65Å; R101-D307 PolarHBondContact NH1-OD1 3.34Å; R101-D307 VanDerWaalsContact NH1-OD1 3.15Å; R101-D307 IonicContact NH1-OD2 3.01Å; R101-D307 PolarHBondContact NH1-OD2 3.3Å; R101-D307 IonicContact NH2-OD1 2.8Å; R101-D307 PolarHBondContact NH2-OD1 3.41Å; R101-D307 IonicContact NH2-OD2 3.6Å; R101-D307 PolarHBondContact NH2-OD2 2.88Å
102	L	87.7	Confident	90.9	Very high	137 Å²	137	49.6 Å²	49.6	72%	0.717	25%	0.249	S	C	*	.	H	α-helix	trans	-68.8	-46.5	178.5	-71.2	168.4	0	0	0	112.5	K98 Q99	K98-L102 VanDerWaalsContact O-CG 3.28Å; K98-L102 WeakPolarHBondContact O-CG 3.41Å; K98-L102 PolarHBondContact O-N 3.48Å; Q99-L102 PolarHBondContact O-N 2.92Å
103	T	88.5	Confident	90.8	Very high	78 Å²	78	49.3 Å²	49.3	48%	0.479	25%	0.247	S	C	.	.	H	α-helix	trans	-85.9	-27	-173.9	60.4	0	0	0	0	114.1	Q99	Q99-T103 PolarHBondContact O-N 3.33Å; Q99-T103 PolarHBondContact O-OG1 3.46Å
104	C	87.9	Confident	90.8	Very high	15 Å²	15	49.5 Å²	49.5	10%	0.101	25%	0.248	C	C	.	.	H	α-helix	trans	-125.9	3.4	-169.8	-56.9	0	0	0	0	113.6	S100 H212 L216	S100-C104 WeakPolarHBondContact O-CA 3.37Å; S100-C104 VanDerWaalsContact O-CB 3.23Å; S100-C104 WeakPolarHBondContact O-CB 3.49Å; S100-C104 PolarHBondContact O-N 3.04Å; C104-H212 HydrophobicContact CB-CB 3.97Å; C104-H212 PolarHBondContact O-CE1 3.33Å; C104-H212 PolarHBondContact O-ND1 3Å; C104-H212 VanDerWaalsContact O-ND1 3.09Å; C104-L216 HydrophobicContact CB-CD2 4.25Å
105	G	87.1	Confident	91	Very high	34 Å²	34	48.2 Å²	48.2	35%	0.351	24%	0.239	S	C	.	.			trans	71.9	-178.3	-175.6	0	0	0	0	0	113.8	R101 N107 H110	R101-G105 CarbonylContact O-C 3.6Å; R101-G105 VanDerWaalsContact O-CA 3.22Å; R101-G105 WeakPolarHBondContact O-CA 3.46Å; R101-G105 PolarHBondContact O-N 3.41Å; R101-G105 VanDerWaalsContact O-N 3.11Å; G105-N107 PolarHBondContact O-N 3.2Å; G105-H110 PolarHBondContact O-CE1 3.25Å
106	K	86.4	Confident	91.1	Very high	82 Å²	82	43.1 Å²	43.1	36%	0.357	22%	0.215	S	C	.	.			trans	-74.2	114.4	179.3	-175.7	162.9	172.8	161.5	0	111.3	H110 N111 A306 D307	K106-H110 WeakPolarHBondContact CA-ND1 3.25Å; K106-H110 HydrophobicContact CG-CB 3.95Å; K106-N111 WeakPolarHBondContact CE-OD1 3.3Å; K106-A306 VanDerWaalsContact NZ-C 3.31Å; K106-A306 PolarHBondContact NZ-O 3.39Å; K106-D307 WeakPolarHBondContact CE-OD1 3.41Å; K106-D307 IonicContact NZ-OD1 2.84Å; K106-D307 PolarHBondContact NZ-OD1 2.93Å
107	N	90	Very high	91.2	Very high	12 Å²	12	44.8 Å²	44.8	6%	0.064	23%	0.226	C	C	.	.			trans	-98.2	176.4	169.2	76.2	69.3	0	0	0	110.7	G105 A109 H110 F208	G105-N107 PolarHBondContact O-N 3.2Å; N107-A109 PolarHBondContact O-N 3.49Å; N107-A109 VanDerWaalsContact OD1-CB 3.22Å; N107-A109 WeakPolarHBondContact OD1-CB 3.41Å; N107-A109 PolarHBondContact OD1-N 3.22Å; N107-H110 PolarHBondContact N-ND1 2.97Å; N107-H110 PolarHBondContact ND2-CE1 3.18Å; N107-H110 VanDerWaalsContact ND2-CE1 3.26Å; N107-H110 WeakPolarHBondContact O-CB 3.37Å; N107-H110 PolarHBondContact O-N 3.26Å; N107-F208 HydrophobicContact CB-CB 4.2Å
108	K	88.6	Confident	91.5	Very high	111 Å²	111	43.7 Å²	43.7	48%	0.483	22%	0.222	S	C	.	.	S	Bend	trans	-70.8	-24.3	-174.5	-90.2	-111.5	176.1	-172.3	0	114.8	H110 Y206 H207	K108-H110 PolarHBondContact O-N 2.94Å; K108-Y206 VanDerWaalsContact C-CE1 3.43Å; K108-Y206 HydrophobicContact CB-CD1 4.07Å; K108-Y206 HydrophobicContact CB-CD2 4.17Å; K108-Y206 HydrophobicContact CB-CE1 3.62Å; K108-Y206 HydrophobicContact CB-CE2 3.73Å; K108-Y206 HydrophobicContact CB-CG 4.33Å; K108-Y206 VanDerWaalsContact CB-CZ 3.44Å; K108-Y206 HydrophobicContact CD-CE2 4.45Å; K108-Y206 HydrophobicContact CG-CE2 4.46Å; K108-Y206 PolarHBondContact N-O 3Å; K108-H207 HydrophobicContact CB-CB 4.2Å; K108-H207 HydrophobicContact CG-CB 4.13Å
109	A	92.4	Very high	91.9	Very high	7 Å²	7	38.4 Å²	38.4	6%	0.058	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-60.7	-40.2	175.4	0	0	0	0	0	110.7	W97 N107 N111 I112 T203 M204 Y206	W97-A109 HydrophobicContact CH2-CB 4.01Å; W97-A109 WeakPolarHBondContact CH2-O 3.3Å; W97-A109 VanDerWaalsContact CZ2-O 3.25Å; W97-A109 WeakPolarHBondContact CZ2-O 3.32Å; W97-A109 HydrophobicContact CZ3-CB 3.99Å; N107-A109 PolarHBondContact O-N 3.49Å; N107-A109 VanDerWaalsContact OD1-CB 3.22Å; N107-A109 WeakPolarHBondContact OD1-CB 3.41Å; N107-A109 PolarHBondContact OD1-N 3.22Å; A109-N111 PolarHBondContact O-N 3.17Å; A109-I112 PolarHBondContact O-N 2.9Å; A109-I112 VanDerWaalsContact O-N 3.11Å; A109-T203 HydrophobicContact CB-CG2 3.97Å; A109-M204 VanDerWaalsContact CB-O 3.26Å; A109-M204 WeakPolarHBondContact CB-O 3.39Å; A109-Y206 HydrophobicContact CB-CD1 3.98Å; A109-Y206 HydrophobicContact CB-CE1 4.24Å; A109-Y206 VanDerWaalsContact N-CE1 3.33Å
110	H	92.6	Very high	92.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-53.2	-19.6	-174.6	-70	153.8	0	0	0	115.6	W97 S100 R101 G105 K106 N107 K108 I112 D307	W97-H110 AromaticContact CD2-CD2 3.67Å; W97-H110 AromaticContact CE2-CD2 3.76Å; W97-H110 AromaticContact NE1-CD2 3.98Å; W97-H110 PolarHBondContact O-NE2 3.07Å; S100-H110 WeakPolarHBondContact CB-NE2 3.39Å; S100-H110 PolarHBondContact O-CE1 3.32Å; S100-H110 PolarHBondContact OG-NE2 3.22Å; R101-H110 WeakPolarHBondContact CA-CE1 3.33Å; R101-H110 VanDerWaalsContact CB-CE1 3.49Å; R101-H110 WeakPolarHBondContact CB-CE1 3.04Å; R101-H110 PolarHBondContact N-CE1 2.84Å; R101-H110 PolarHBondContact N-NE2 3.14Å; R101-H110 PolarHBondContact NH2-O 3.43Å; G105-H110 PolarHBondContact O-CE1 3.25Å; K106-H110 WeakPolarHBondContact CA-ND1 3.25Å; K106-H110 HydrophobicContact CG-CB 3.95Å; N107-H110 PolarHBondContact N-ND1 2.97Å; N107-H110 PolarHBondContact ND2-CE1 3.18Å; N107-H110 VanDerWaalsContact ND2-CE1 3.26Å; N107-H110 WeakPolarHBondContact O-CB 3.37Å; N107-H110 PolarHBondContact O-N 3.26Å; K108-H110 PolarHBondContact O-N 2.94Å; H110-I112 VanDerWaalsContact C-N 3.33Å; H110-I112 PolarHBondContact O-N 2.99Å; H110-D307 WeakPolarHBondContact O-CB 3.31Å; H110-D307 VanDerWaalsContact O-OD1 3.13Å
111	N	91.3	Very high	92.1	Very high	39 Å²	39	43.3 Å²	43.3	21%	0.209	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-67.2	-23.6	177.3	-79.6	16.5	0	0	0	115.2	K106 A109 E308 S309	K106-N111 WeakPolarHBondContact CE-OD1 3.3Å; A109-N111 PolarHBondContact O-N 3.17Å; N111-E308 HydrophobicContact CB-CB 4.05Å; N111-E308 WeakPolarHBondContact O-CB 3.45Å; N111-E308 PolarHBondContact O-N 3.18Å; N111-S309 PolarHBondContact O-N 3.1Å; N111-S309 PolarHBondContact O-OG 3.26Å
112	I	92.2	Very high	92.4	Very high	34 Å²	34	40.2 Å²	40.2	17%	0.174	21%	0.21	C	C	.	.	S	Bend	trans	-137.5	125.6	-176.3	-52.2	171.4	0	0	0	108.7	Y82 W97 A109 H110 H115 W312	Y82-I112 HydrophobicContact CE2-CG2 3.85Å; W97-I112 WeakPolarHBondContact CH2-O 3.39Å; W97-I112 WeakPolarHBondContact CZ2-O 3.43Å; A109-I112 PolarHBondContact O-N 2.9Å; A109-I112 VanDerWaalsContact O-N 3.11Å; H110-I112 VanDerWaalsContact C-N 3.33Å; H110-I112 PolarHBondContact O-N 2.99Å; I112-H115 VanDerWaalsContact CG2-CE1 3.47Å; I112-H115 WeakPolarHBondContact CG2-CE1 3.27Å; I112-W312 HydrophobicContact CD1-CH2 3.78Å; I112-W312 HydrophobicContact CD1-CZ2 4.14Å; I112-W312 HydrophobicContact CG1-CH2 4.19Å; I112-W312 HydrophobicContact CG1-CZ2 4.31Å; I112-W312 HydrophobicContact CG2-CH2 4.39Å
113	F	91.6	Very high	92.8	Very high	43 Å²	43	37.2 Å²	37.2	19%	0.189	19%	0.193	C	C	.	.			trans	-46	152.2	178.6	59.3	-94.4	0	0	0	113.9	Y82 R84 H115 L236	Y82-F113 HydrophobicContact CD2-CE2 4.29Å; Y82-F113 AromaticContact CD2-CZ 3.97Å; Y82-F113 HydrophobicContact CD2-CZ 3.97Å; R84-F113 HydrophobicContact CB-CE2 4.27Å; R84-F113 HydrophobicContact CG-CD2 4.18Å; R84-F113 HydrophobicContact CG-CE2 4.09Å; F113-H115 HydrophobicContact CD2-CB 4.12Å; F113-H115 HydrophobicContact CE2-CB 3.87Å; F113-H115 PolarHBondContact O-N 3.23Å; F113-H115 VanDerWaalsContact O-N 3.13Å; F113-H115 PolarHBondContact O-ND1 3.2Å; F113-L236 HydrophobicContact CE1-CD2 3.82Å; F113-L236 HydrophobicContact CZ-CD1 3.97Å; F113-L236 HydrophobicContact CZ-CD2 3.89Å
114	P	93.3	Very high	93	Very high	6 Å²	6	33.6 Å²	33.6	4%	0.039	17%	0.171	C	C	.	.	S	Bend	trans	-54.3	118.6	-180	-27.1	34.8	0	0	0	113.1	P85 L93 W97 V202	P85-P114 VanDerWaalsContact CD-O 3.28Å; P85-P114 WeakPolarHBondContact CD-O 3.48Å; L93-P114 HydrophobicContact CB-CB 4.05Å; L93-P114 HydrophobicContact CB-CG 4.01Å; L93-P114 HydrophobicContact CD1-CB 4.05Å; L93-P114 HydrophobicContact CG-CB 4.48Å; W97-P114 HydrophobicContact CD2-CG 4.34Å; W97-P114 HydrophobicContact CE3-CG 3.94Å; W97-P114 HydrophobicContact CH2-CG 4.39Å; W97-P114 HydrophobicContact CZ3-CG 3.99Å; P114-V202 HydrophobicContact CB-CG1 4.06Å
115	H	95.5	Very high	93.3	Very high	22 Å²	22	34.9 Å²	34.9	10%	0.102	18%	0.182	C	C	.	.			trans	-154.5	165.9	-172.8	70.6	-80.6	0	0	0	111.7	Y82 L83 I112 F113 T117 V202	Y82-H115 AromaticContact CD1-CD2 3.59Å; Y82-H115 HydrophobicContact CD2-CB 4.03Å; Y82-H115 AromaticContact CD2-CD2 3.5Å; Y82-H115 VanDerWaalsContact CD2-CD2 3.5Å; Y82-H115 WeakPolarHBondContact CD2-CD2 3.5Å; Y82-H115 AromaticContact CD2-CG 3.67Å; Y82-H115 AromaticContact CE1-CD2 3.64Å; Y82-H115 AromaticContact CE1-NE2 3.72Å; Y82-H115 AromaticContact CE2-CD2 3.56Å; Y82-H115 AromaticContact CE2-CE1 4Å; Y82-H115 AromaticContact CE2-CG 3.89Å; Y82-H115 AromaticContact CE2-NE2 3.68Å; Y82-H115 HydrophobicContact CG-CB 4.24Å; Y82-H115 AromaticContact CG-CD2 3.52Å; Y82-H115 AromaticContact CZ-CD2 3.64Å; Y82-H115 AromaticContact CZ-NE2 3.47Å; L83-H115 CarbonylContact O-C 3.59Å; L83-H115 VanDerWaalsContact O-CA 3.31Å; L83-H115 WeakPolarHBondContact O-CA 3.16Å; I112-H115 VanDerWaalsContact CG2-CE1 3.47Å; I112-H115 WeakPolarHBondContact CG2-CE1 3.27Å; F113-H115 HydrophobicContact CD2-CB 4.12Å; F113-H115 HydrophobicContact CE2-CB 3.87Å; F113-H115 PolarHBondContact O-N 3.23Å; F113-H115 VanDerWaalsContact O-N 3.13Å; F113-H115 PolarHBondContact O-ND1 3.2Å; H115-T117 PolarHBondContact NE2-OG1 3.06Å; H115-V202 WeakPolarHBondContact O-CA 3.46Å
116	I	96.8	Very high	93.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	127.8	164	-56.5	168.1	0	0	0	108.2	Y82 L83 L151 V166 L200 V202 W231	Y82-I116 WeakPolarHBondContact CA-O 3.4Å; L83-I116 HydrophobicContact CB-CB 4.2Å; L83-I116 PolarHBondContact N-O 3.14Å; L83-I116 PolarHBondContact O-N 3.42Å; I116-L151 HydrophobicContact CD1-CD2 4.09Å; I116-V166 HydrophobicContact CD1-CG2 3.71Å; I116-L200 HydrophobicContact CG2-CB 3.81Å; I116-L200 HydrophobicContact CG2-CD1 4.39Å; I116-L200 HydrophobicContact CG2-CD2 4.22Å; I116-L200 HydrophobicContact CG2-CG 4.37Å; I116-V202 HydrophobicContact CD1-CG2 4.32Å; I116-V202 HydrophobicContact CG1-CG2 3.64Å; I116-W231 HydrophobicContact CD1-CE3 4.23Å; I116-W231 HydrophobicContact CD1-CH2 3.72Å; I116-W231 HydrophobicContact CD1-CZ2 4.5Å; I116-W231 HydrophobicContact CD1-CZ3 3.56Å; I116-W231 HydrophobicContact CG1-CH2 4.31Å; I116-W231 HydrophobicContact CG1-CZ3 3.96Å
117	T	97.1	Very high	93.9	Very high	39 Å²	39	36.5 Å²	36.5	24%	0.239	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	121.6	174.7	-69.1	0	0	0	0	111	Y82 H115 C119 L200	Y82-T117 HydrophobicContact CE1-CG2 4.09Å; Y82-T117 VanDerWaalsContact CE1-OG1 3.28Å; Y82-T117 WeakPolarHBondContact CE1-OG1 3.33Å; H115-T117 PolarHBondContact NE2-OG1 3.06Å; T117-C119 WeakPolarHBondContact CG2-O 3.03Å; T117-L200 WeakPolarHBondContact O-CD2 3.37Å
118	L	97.7	Very high	94.1	Very high	2 Å²	2	39 Å²	39	1%	0.01	19%	0.193	C	C	.	.			trans	-98	-25.3	-179.8	-72.6	-175.3	0	0	0	115	L81 L83 L174 F177 A178 H196 L200	L81-L118 HydrophobicContact CD2-CB 4.47Å; L81-L118 HydrophobicContact CD2-CD1 4Å; L81-L118 HydrophobicContact CG-CB 4.37Å; L81-L118 HydrophobicContact CG-CD1 4.08Å; L81-L118 WeakPolarHBondContact O-CB 3.43Å; L81-L118 PolarHBondContact O-N 3.43Å; L81-L118 VanDerWaalsContact O-N 3.1Å; L83-L118 HydrophobicContact CD1-CD1 4.1Å; L83-L118 HydrophobicContact CD1-CD2 3.86Å; L83-L118 HydrophobicContact CD1-CG 4.21Å; L83-L118 HydrophobicContact CD2-CD1 3.83Å; L83-L118 HydrophobicContact CG-CD1 3.59Å; L83-L118 HydrophobicContact CG-CD2 4.09Å; L83-L118 HydrophobicContact CG-CG 3.86Å; L118-L174 HydrophobicContact CD2-CB 4.29Å; L118-F177 HydrophobicContact CD1-CD1 3.64Å; L118-F177 HydrophobicContact CD1-CE1 3.51Å; L118-A178 HydrophobicContact CB-CB 4.1Å; L118-A178 WeakPolarHBondContact O-CB 3.09Å; L118-H196 WeakPolarHBondContact O-CB 3.13Å; L118-H196 PolarHBondContact O-N 3.02Å; L118-L200 HydrophobicContact CD2-CD1 4.17Å
119	C	97.3	Very high	94.4	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.02	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-138.8	167.7	178.6	65.9	0	0	0	0	111	L81 T117 V193 E194	L81-C119 PolarHBondContact N-SG 2.79Å; T117-C119 WeakPolarHBondContact CG2-O 3.03Å; C119-V193 HydrophobicContact CB-CG1 3.6Å; C119-E194 CarbonylContact C-O 3.56Å; C119-E194 VanDerWaalsContact CA-O 3.29Å; C119-E194 WeakPolarHBondContact CA-O 3.46Å; C119-E194 WeakPolarHBondContact CB-O 3.47Å
120	Q	95.6	Very high	94.4	Very high	96 Å²	96	41.5 Å²	41.5	45%	0.449	21%	0.206	S	C	.	.			trans	-68.6	163.5	161.6	-59.5	-165.9	41	0	0	110.1	E194	Q120-E194 HydrophobicContact CB-CB 4.49Å; Q120-E194 HydrophobicContact CG-CB 4.4Å; Q120-E194 PolarHBondContact N-O 3.49Å; Q120-E194 PolarHBondContact NE2-OE1 2.87Å; Q120-E194 PolarHBondContact NE2-OE2 3.05Å
121	F	95.3	Very high	94.6	Very high	72 Å²	72	43 Å²	43	32%	0.316	22%	0.219	S	C	.	.			trans	-61.9	143.2	167.9	-77.3	-84	0	0	0	110.4	E78 Y79 V80 W312	E78-F121 HydrophobicContact CG-CB 3.76Å; E78-F121 HydrophobicContact CG-CD1 3.81Å; E78-F121 HydrophobicContact CG-CG 4.16Å; E78-F121 WeakPolarHBondContact OE1-CB 3.44Å; Y79-F121 VanDerWaalsContact O-CA 3.31Å; Y79-F121 WeakPolarHBondContact O-CA 3.36Å; V80-F121 HydrophobicContact CB-CD1 3.72Å; V80-F121 HydrophobicContact CB-CE1 3.72Å; V80-F121 HydrophobicContact CB-CG 4.35Å; V80-F121 HydrophobicContact CB-CZ 4.35Å; V80-F121 HydrophobicContact CG1-CD1 4.21Å; V80-F121 HydrophobicContact CG1-CE1 3.7Å; V80-F121 HydrophobicContact CG1-CZ 4.21Å; V80-F121 HydrophobicContact CG2-CD1 4.38Å; V80-F121 HydrophobicContact CG2-CE1 4.42Å; F121-W312 HydrophobicContact CE1-CH2 4.1Å; F121-W312 HydrophobicContact CE1-CZ3 4.43Å; F121-W312 AromaticContact CZ-CH2 3.67Å; F121-W312 HydrophobicContact CZ-CH2 3.67Å; F121-W312 HydrophobicContact CZ-CZ2 4.18Å; F121-W312 HydrophobicContact CZ-CZ3 4.34Å
122	F	96.1	Very high	94.9	Very high	13 Å²	13	41.1 Å²	41.1	6%	0.057	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	154.2	-178.7	63.9	-89.3	0	0	0	111.7	Y79 L132 F181 V191 V193 L235	Y79-F122 HydrophobicContact CG-CE2 4.31Å; Y79-F122 PolarHBondContact N-O 3.49Å; Y79-F122 WeakPolarHBondContact O-CD1 3.07Å; Y79-F122 PolarHBondContact O-N 3.37Å; F122-L132 HydrophobicContact CE2-CD1 4.13Å; F122-L132 HydrophobicContact CE2-CD2 3.78Å; F122-L132 HydrophobicContact CZ-CD1 4.37Å; F122-L132 HydrophobicContact CZ-CD2 4.19Å; F122-F181 HydrophobicContact CE1-CE1 4.44Å; F122-F181 HydrophobicContact CZ-CE1 4.24Å; F122-F181 HydrophobicContact CZ-CZ 4.37Å; F122-V191 HydrophobicContact CD2-CG1 3.48Å; F122-V191 VanDerWaalsContact CD2-CG1 3.48Å; F122-V191 HydrophobicContact CE2-CG1 3.7Å; F122-V193 HydrophobicContact CD1-CB 4.39Å; F122-V193 HydrophobicContact CD1-CG1 3.9Å; F122-V193 HydrophobicContact CD1-CG2 3.99Å; F122-V193 HydrophobicContact CD2-CG2 3.89Å; F122-V193 HydrophobicContact CE1-CG1 3.98Å; F122-V193 HydrophobicContact CE1-CG2 3.94Å; F122-V193 HydrophobicContact CE2-CG2 3.84Å; F122-V193 HydrophobicContact CG-CG2 3.96Å; F122-V193 HydrophobicContact CZ-CG2 3.86Å; F122-L235 HydrophobicContact CZ-CD1 4.05Å
123	M	94.9	Very high	95	Very high	74 Å²	74	40.9 Å²	40.9	37%	0.365	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	138.5	-179.1	-54.4	-50	-65.4	0	0	111.3	P76 R77 E78 I240	P76-M123 HydrophobicContact CB-CE 4.06Å; P76-M123 HydrophobicContact CG-CB 4.35Å; P76-M123 HydrophobicContact CG-CE 3.76Å; P76-M123 WeakPolarHBondContact O-CE 3.01Å; R77-M123 VanDerWaalsContact C-CE 3.47Å; R77-M123 VanDerWaalsContact O-CE 3.27Å; R77-M123 WeakPolarHBondContact O-CE 3.49Å; E78-M123 HydrophobicContact CB-CE 4.13Å; E78-M123 HydrophobicContact CB-SD 3.76Å; E78-M123 HydrophobicContact CG-SD 3.72Å; M123-I240 HydrophobicContact CE-CB 3.88Å; M123-I240 HydrophobicContact CE-CD1 4.22Å; M123-I240 HydrophobicContact CE-CG1 3.9Å; M123-I240 HydrophobicContact CE-CG2 4.23Å; M123-I240 HydrophobicContact SD-CD1 4.18Å; M123-I240 HydrophobicContact SD-CG1 4.47Å
124	C	94.4	Very high	95.2	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	134.6	169.5	-175.7	0	0	0	0	109.7	P76 R77 Y79 L132 V191	P76-C124 WeakPolarHBondContact CB-O 3.41Å; R77-C124 PolarHBondContact O-N 2.94Å; Y79-C124 HydrophobicContact CD2-CB 3.62Å; Y79-C124 HydrophobicContact CE2-CB 3.53Å; Y79-C124 HydrophobicContact CG-CB 4.38Å; C124-L132 HydrophobicContact CB-CD2 3.95Å; C124-V191 HydrophobicContact CB-CG2 4.15Å
125	A	93.1	Very high	95.4	Very high	41 Å²	41	42 Å²	42	34%	0.339	22%	0.216	S	C	.	.			trans	-76.9	143.4	175.1	0	0	0	0	0	110.4	E127 K128	A125-E127 PolarHBondContact O-N 3.35Å; A125-K128 HydrophobicContact CB-CD 4.44Å; A125-K128 WeakPolarHBondContact O-CB 3.26Å; A125-K128 PolarHBondContact O-N 3.44Å
126	D	93.3	Very high	95.5	Very high	29 Å²	29	41 Å²	41	16%	0.155	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-53.3	-35.1	-171.9	-57.6	-18.6	0	0	0	113.7	L44 K45 V48 K128 V129	L44-D126 HydrophobicContact CB-CB 4.09Å; K45-D126 WeakPolarHBondContact CA-OD2 3.26Å; V48-D126 HydrophobicContact CB-CB 4.42Å; V48-D126 HydrophobicContact CG2-CB 3.92Å; D126-K128 PolarHBondContact O-N 3.47Å; D126-V129 PolarHBondContact O-N 3Å
127	E	93	Very high	95.4	Very high	122 Å²	122	46.1 Å²	46.1	57%	0.57	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-63.2	-21	177.5	-62.8	158.6	-174.5	0	0	114	L44 R74 A125	L44-E127 HydrophobicContact CD1-CB 4.39Å; L44-E127 HydrophobicContact CD1-CG 3.58Å; R74-E127 IonicContact NH1-OE1 3.27Å; A125-E127 PolarHBondContact O-N 3.35Å
128	K	94.6	Very high	95.4	Very high	63 Å²	63	46.6 Å²	46.6	27%	0.274	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-103.8	-6.5	-175.1	-70	171.5	153.6	-164.8	0	113.5	A125 D126 E130 A131 L132 A189 D190 V191	A125-K128 HydrophobicContact CB-CD 4.44Å; A125-K128 WeakPolarHBondContact O-CB 3.26Å; A125-K128 PolarHBondContact O-N 3.44Å; D126-K128 PolarHBondContact O-N 3.47Å; K128-E130 PolarHBondContact O-N 2.73Å; K128-A131 PolarHBondContact O-N 3.35Å; K128-L132 PolarHBondContact O-N 3.44Å; K128-A189 HydrophobicContact CB-CB 4.44Å; K128-A189 WeakPolarHBondContact CD-O 3.43Å; K128-A189 WeakPolarHBondContact CE-O 3.39Å; K128-A189 WeakPolarHBondContact CG-O 3.31Å; K128-A189 PolarHBondContact NZ-O 3.39Å; K128-D190 PolarHBondContact NZ-O 2.96Å; K128-D190 IonicContact NZ-OD2 3.18Å; K128-D190 PolarHBondContact NZ-OD2 2.75Å; K128-V191 HydrophobicContact CD-CG2 4.45Å
129	V	94.4	Very high	95.3	Very high	9 Å²	9	46.7 Å²	46.7	6%	0.055	24%	0.239	C	C	.	.	H	α-helix	trans	-67.5	-35.4	-170.3	179.5	0	0	0	0	113.1	V48 Y79 D126 L132 T133 H315	V48-V129 HydrophobicContact CG1-CG2 4.05Å; V48-V129 HydrophobicContact CG2-CB 3.96Å; V48-V129 HydrophobicContact CG2-CG1 4.22Å; V48-V129 HydrophobicContact CG2-CG2 3.81Å; Y79-V129 HydrophobicContact CE1-CG1 4.29Å; Y79-V129 HydrophobicContact CE1-CG2 4.45Å; Y79-V129 WeakPolarHBondContact OH-CG2 3.34Å; D126-V129 PolarHBondContact O-N 3Å; V129-L132 PolarHBondContact O-N 3.05Å; V129-T133 PolarHBondContact O-N 3.49Å; V129-T133 PolarHBondContact O-OG1 2.97Å; V129-H315 WeakPolarHBondContact CG1-ND1 3.33Å
130	E	93.5	Very high	95.2	Very high	163 Å²	163	46.6 Å²	46.6	76%	0.762	24%	0.239	S	C	*	.	H	α-helix	trans	-61.9	-44.7	174.8	-171.8	177	178.7	0	0	111.1	K128 L132 T133 D134	K128-E130 PolarHBondContact O-N 2.73Å; E130-L132 PolarHBondContact O-N 3.16Å; E130-T133 PolarHBondContact O-N 3.2Å; E130-D134 PolarHBondContact O-N 3.05Å
131	A	95.8	Very high	95.1	Very high	31 Å²	31	45 Å²	45	26%	0.256	24%	0.241	S	C	.	.	H	α-helix	trans	-67.7	-33.2	176.4	0	0	0	0	0	112.9	K128 A135 A189	K128-A131 PolarHBondContact O-N 3.35Å; A131-A135 WeakPolarHBondContact O-CB 3.43Å; A131-A135 PolarHBondContact O-N 3.26Å; A131-A189 HydrophobicContact CB-CB 4.08Å
132	L	96.9	Very high	95	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-37.8	173.7	-178.6	66.1	0	0	0	111.9	Y79 F122 C124 K128 V129 E130 A135 L136 F181 A185 A189 L235	Y79-L132 HydrophobicContact CD1-CD2 4.14Å; Y79-L132 HydrophobicContact CE1-CD2 4.49Å; Y79-L132 HydrophobicContact CG-CD2 4.38Å; F122-L132 HydrophobicContact CE2-CD1 4.13Å; F122-L132 HydrophobicContact CE2-CD2 3.78Å; F122-L132 HydrophobicContact CZ-CD1 4.37Å; F122-L132 HydrophobicContact CZ-CD2 4.19Å; C124-L132 HydrophobicContact CB-CD2 3.95Å; K128-L132 PolarHBondContact O-N 3.44Å; V129-L132 PolarHBondContact O-N 3.05Å; E130-L132 PolarHBondContact O-N 3.16Å; L132-A135 WeakPolarHBondContact O-CB 3.45Å; L132-A135 PolarHBondContact O-N 3.31Å; L132-L136 PolarHBondContact O-N 2.88Å; L132-F181 HydrophobicContact CD1-CE2 4.24Å; L132-F181 HydrophobicContact CD1-CZ 3.82Å; L132-A185 HydrophobicContact CD1-CB 3.71Å; L132-A189 HydrophobicContact CB-CB 4.14Å; L132-L235 HydrophobicContact CD2-CD2 3.93Å; L132-L235 HydrophobicContact CG-CD2 3.96Å
133	T	95.5	Very high	94.9	Very high	29 Å²	29	47.1 Å²	47.1	18%	0.178	25%	0.25	C	S	.	.	H	α-helix	trans	-71.4	-41.7	177.3	-54.7	0	0	0	0	111	V129 E130 A135 L136 Q137	V129-T133 PolarHBondContact O-N 3.49Å; V129-T133 PolarHBondContact O-OG1 2.97Å; E130-T133 PolarHBondContact O-N 3.2Å; T133-A135 VanDerWaalsContact C-N 3.33Å; T133-A135 PolarHBondContact O-N 3.27Å; T133-L136 PolarHBondContact O-N 3.41Å; T133-Q137 PolarHBondContact O-N 3.25Å
134	D	95.4	Very high	94.5	Very high	72 Å²	72	48 Å²	48	39%	0.385	25%	0.252	S	S	.	.	H	α-helix	trans	-63.2	-36.1	171.5	176.7	47.3	0	0	0	112.5	E130 Q137 T138 K188	E130-D134 PolarHBondContact O-N 3.05Å; D134-Q137 PolarHBondContact O-N 2.84Å; D134-T138 VanDerWaalsContact O-CB 3.24Å; D134-T138 WeakPolarHBondContact O-CB 3.48Å; D134-T138 PolarHBondContact O-N 3.07Å; D134-T138 PolarHBondContact O-OG1 3.01Å; D134-K188 IonicContact OD1-NZ 3.91Å; D134-K188 WeakPolarHBondContact OD2-CD 3.5Å; D134-K188 WeakPolarHBondContact OD2-CE 3.35Å; D134-K188 IonicContact OD2-NZ 2.63Å; D134-K188 PolarHBondContact OD2-NZ 3.34Å
135	A	97.5	Very high	93.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-45.3	171.2	0	0	0	0	0	112	A131 L132 T133 T138 T139 E184 K188	A131-A135 WeakPolarHBondContact O-CB 3.43Å; A131-A135 PolarHBondContact O-N 3.26Å; L132-A135 WeakPolarHBondContact O-CB 3.45Å; L132-A135 PolarHBondContact O-N 3.31Å; T133-A135 VanDerWaalsContact C-N 3.33Å; T133-A135 PolarHBondContact O-N 3.27Å; A135-T138 PolarHBondContact O-N 2.93Å; A135-T139 WeakPolarHBondContact O-CB 3.42Å; A135-T139 PolarHBondContact O-N 3.17Å; A135-T139 PolarHBondContact O-OG1 3Å; A135-E184 HydrophobicContact CB-CB 4.13Å; A135-E184 HydrophobicContact CB-CG 3.72Å; A135-K188 HydrophobicContact CB-CB 4.3Å; A135-K188 HydrophobicContact CB-CD 4.15Å
136	L	97.1	Very high	93.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-62.3	-48.8	174.9	179.8	60.2	0	0	0	111.6	L81 L132 T133 T138 T139 V140 F177 F181 A233 L235	L81-L136 HydrophobicContact CD1-CD1 3.69Å; L81-L136 HydrophobicContact CD1-CD2 3.89Å; L81-L136 HydrophobicContact CD1-CG 4.48Å; L81-L136 HydrophobicContact CD2-CD1 4.13Å; L132-L136 PolarHBondContact O-N 2.88Å; T133-L136 PolarHBondContact O-N 3.41Å; L136-T138 VanDerWaalsContact C-N 3.3Å; L136-T138 PolarHBondContact O-N 2.95Å; L136-T139 PolarHBondContact O-N 3.24Å; L136-V140 HydrophobicContact CD1-CG2 3.88Å; L136-V140 HydrophobicContact CG-CG2 4.3Å; L136-V140 WeakPolarHBondContact O-CG2 3.49Å; L136-V140 PolarHBondContact O-N 3.1Å; L136-F177 HydrophobicContact CD1-CZ 4.19Å; L136-F181 HydrophobicContact CB-CD2 4.17Å; L136-F181 HydrophobicContact CB-CE2 3.76Å; L136-F181 HydrophobicContact CD1-CD2 4.02Å; L136-F181 HydrophobicContact CD1-CE2 4.19Å; L136-A233 HydrophobicContact CD1-CB 4.25Å; L136-L235 HydrophobicContact CD2-CB 3.81Å
137	Q	95.5	Very high	93.1	Very high	109 Å²	109	54.5 Å²	54.5	51%	0.509	28%	0.284	S	S	.	.	H	α-helix	trans	-59.4	-41.8	179.6	-179.4	173.2	-23.8	0	0	111.8	T133 D134 A141	T133-Q137 PolarHBondContact O-N 3.25Å; D134-Q137 PolarHBondContact O-N 2.84Å; Q137-A141 VanDerWaalsContact O-CB 3.32Å; Q137-A141 WeakPolarHBondContact O-CB 3.39Å; Q137-A141 PolarHBondContact O-N 3.3Å
138	T	96.1	Very high	92.4	Very high	48 Å²	48	51.2 Å²	51.2	29%	0.294	27%	0.273	S	S	.	.	H	α-helix	trans	-62.9	-45	175.7	-60.7	0	0	0	0	111.3	D134 A135 L136 A141 K142 E184 K188	D134-T138 VanDerWaalsContact O-CB 3.24Å; D134-T138 WeakPolarHBondContact O-CB 3.48Å; D134-T138 PolarHBondContact O-N 3.07Å; D134-T138 PolarHBondContact O-OG1 3.01Å; A135-T138 PolarHBondContact O-N 2.93Å; L136-T138 VanDerWaalsContact C-N 3.3Å; L136-T138 PolarHBondContact O-N 2.95Å; T138-A141 PolarHBondContact O-N 2.86Å; T138-K142 PolarHBondContact O-N 3.29Å; T138-K142 VanDerWaalsContact O-N 3.08Å; T138-E184 HydrophobicContact CG2-CG 4.44Å; T138-K188 PolarHBondContact OG1-NZ 3.17Å
139	T	96.6	Very high	91.7	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-48.6	178	-49.7	0	0	0	0	110.9	A135 L136 A141 K142 W143 F177 D180 F181	A135-T139 WeakPolarHBondContact O-CB 3.42Å; A135-T139 PolarHBondContact O-N 3.17Å; A135-T139 PolarHBondContact O-OG1 3Å; L136-T139 PolarHBondContact O-N 3.24Å; T139-A141 VanDerWaalsContact C-N 3.3Å; T139-A141 PolarHBondContact O-N 2.87Å; T139-K142 WeakPolarHBondContact O-CB 3.31Å; T139-K142 PolarHBondContact O-N 3.49Å; T139-K142 VanDerWaalsContact O-N 3.12Å; T139-W143 PolarHBondContact O-N 2.91Å; T139-W143 VanDerWaalsContact O-N 3.16Å; T139-F177 HydrophobicContact CG2-CD2 3.78Å; T139-F177 HydrophobicContact CG2-CE2 3.56Å; T139-F177 HydrophobicContact CG2-CZ 4.44Å; T139-D180 HydrophobicContact CG2-CB 3.98Å; T139-F181 HydrophobicContact CG2-CB 4.06Å
140	V	95.1	Very high	91.2	Very high	2 Å²	2	54.5 Å²	54.5	1%	0.012	30%	0.295	C	S	.	.	H	α-helix	trans	-61.4	-40	178.8	175.6	0	0	0	0	110.9	L136 K142 W143 K144 F177 A233 H318 S319 F320	L136-V140 HydrophobicContact CD1-CG2 3.88Å; L136-V140 HydrophobicContact CG-CG2 4.3Å; L136-V140 WeakPolarHBondContact O-CG2 3.49Å; L136-V140 PolarHBondContact O-N 3.1Å; V140-K142 PolarHBondContact O-N 2.83Å; V140-W143 CarbonylContact O-C 3.54Å; V140-W143 PolarHBondContact O-N 3.35Å; V140-W143 VanDerWaalsContact O-N 3.08Å; V140-K144 WeakPolarHBondContact O-CG 3.37Å; V140-K144 PolarHBondContact O-N 3.36Å; V140-F177 HydrophobicContact CG2-CE2 3.88Å; V140-F177 HydrophobicContact CG2-CZ 3.76Å; V140-A233 HydrophobicContact CG2-CB 3.73Å; V140-H318 HydrophobicContact CB-CB 4.12Å; V140-H318 HydrophobicContact CG1-CB 3.78Å; V140-H318 HydrophobicContact CG2-CB 4.1Å; V140-S319 WeakPolarHBondContact CG1-O 3.46Å; V140-F320 HydrophobicContact CB-CE1 4.41Å; V140-F320 HydrophobicContact CG1-CD1 4.05Å; V140-F320 HydrophobicContact CG1-CE1 4.01Å; V140-F320 HydrophobicContact CG1-CZ 4.5Å; V140-F320 HydrophobicContact CG2-CE1 4.22Å; V140-F320 HydrophobicContact CG2-CZ 4.21Å
141	A	93.6	Very high	90.9	Very high	61 Å²	61	46.9 Å²	46.9	50%	0.504	26%	0.26	S	S	.	.	H	α-helix	trans	-59.7	-40.4	174.5	0	0	0	0	0	113.3	Q137 T138 T139 W143	Q137-A141 VanDerWaalsContact O-CB 3.32Å; Q137-A141 WeakPolarHBondContact O-CB 3.39Å; Q137-A141 PolarHBondContact O-N 3.3Å; T138-A141 PolarHBondContact O-N 2.86Å; T139-A141 VanDerWaalsContact C-N 3.3Å; T139-A141 PolarHBondContact O-N 2.87Å; A141-W143 PolarHBondContact O-N 2.89Å
142	K	93.7	Very high	90.7	Very high	111 Å²	111	47.3 Å²	47.3	48%	0.483	26%	0.26	S	S	.	.	H	α-helix	trans	-64	-27.4	174.4	-179.6	-171.7	-178.3	-169.7	0	112.9	T138 T139 V140 R146 D180	T138-K142 PolarHBondContact O-N 3.29Å; T138-K142 VanDerWaalsContact O-N 3.08Å; T139-K142 WeakPolarHBondContact O-CB 3.31Å; T139-K142 PolarHBondContact O-N 3.49Å; T139-K142 VanDerWaalsContact O-N 3.12Å; V140-K142 PolarHBondContact O-N 2.83Å; K142-R146 PolarHBondContact O-NE 2.84Å; K142-R146 VanDerWaalsContact O-NE 3.17Å; K142-R146 PolarHBondContact O-NH2 3.25Å; K142-D180 VanDerWaalsContact CE-OD2 3.25Å; K142-D180 WeakPolarHBondContact CE-OD2 3.49Å; K142-D180 IonicContact NZ-OD1 3.29Å; K142-D180 PolarHBondContact NZ-OD1 3.02Å; K142-D180 VanDerWaalsContact NZ-OD1 3.13Å; K142-D180 IonicContact NZ-OD2 3.57Å; K142-D180 PolarHBondContact NZ-OD2 3.38Å
143	W	92.6	Very high	90.6	Very high	19 Å²	19	48 Å²	48	7%	0.072	26%	0.264	C	S	.	.	H	α-helix	trans	-105.4	-0.9	-172.4	-77.5	80.9	0	0	0	115.5	T139 V140 A141 G145 R146 V173 F177 D180 F320	T139-W143 PolarHBondContact O-N 2.91Å; T139-W143 VanDerWaalsContact O-N 3.16Å; V140-W143 CarbonylContact O-C 3.54Å; V140-W143 PolarHBondContact O-N 3.35Å; V140-W143 VanDerWaalsContact O-N 3.08Å; A141-W143 PolarHBondContact O-N 2.89Å; W143-G145 PolarHBondContact O-N 3.02Å; W143-R146 HydrophobicContact CE3-CB 4.06Å; W143-R146 WeakPolarHBondContact O-CB 3.39Å; W143-R146 PolarHBondContact O-N 3.3Å; W143-R146 VanDerWaalsContact O-N 3.11Å; W143-V173 HydrophobicContact CZ3-CG1 3.84Å; W143-V173 WeakPolarHBondContact CZ3-O 3.39Å; W143-F177 HydrophobicContact CB-CD2 3.91Å; W143-F177 HydrophobicContact CB-CE2 4.4Å; W143-F177 AromaticContact CD1-CD2 3.79Å; W143-F177 HydrophobicContact CD2-CB 3.9Å; W143-F177 AromaticContact CD2-CD2 3.98Å; W143-F177 HydrophobicContact CD2-CD2 3.98Å; W143-F177 HydrophobicContact CD2-CG 4.44Å; W143-F177 HydrophobicContact CE3-CB 3.95Å; W143-F177 HydrophobicContact CG-CB 4.45Å; W143-F177 AromaticContact CG-CD2 3.61Å; W143-F177 HydrophobicContact CG-CD2 3.61Å; W143-F177 HydrophobicContact CG-CE2 4.43Å; W143-F177 HydrophobicContact CG-CG 4.49Å; W143-F177 HydrophobicContact CH2-CB 4.38Å; W143-F177 HydrophobicContact CZ2-CB 4.32Å; W143-F177 HydrophobicContact CZ3-CB 4.19Å; W143-D180 HydrophobicContact CZ2-CB 4.48Å; W143-D180 WeakPolarHBondContact CZ2-OD2 3.27Å; W143-D180 PolarHBondContact NE1-OD2 3.49Å; W143-F320 HydrophobicContact CB-CD1 4.24Å; W143-F320 HydrophobicContact CB-CE1 3.93Å
144	K	87.2	Confident	90.5	Very high	94 Å²	94	52.9 Å²	52.9	41%	0.409	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	134.9	174.1	-74.6	-169.3	174.5	-170.8	0	112	V140 R146	V140-K144 WeakPolarHBondContact O-CG 3.37Å; V140-K144 PolarHBondContact O-N 3.36Å; K144-R146 PolarHBondContact O-N 2.81Å
145	G	81.4	Confident	90.5	Very high	58 Å²	58	52.7 Å²	52.7	60%	0.598	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.7	6.3	-179.4	0	0	0	0	0	116.4	W143 F320	W143-G145 PolarHBondContact O-N 3.02Å; G145-F320 PolarHBondContact N-O 2.9Å
146	R	85.9	Confident	90.5	Very high	138 Å²	138	58.3 Å²	58.3	52%	0.521	31%	0.305	S	S	.	.			trans	-90.8	-18.2	175.9	-59.6	-171.7	-173.7	-154.4	-3.4	114.4	K142 W143 K144	K142-R146 PolarHBondContact O-NE 2.84Å; K142-R146 VanDerWaalsContact O-NE 3.17Å; K142-R146 PolarHBondContact O-NH2 3.25Å; W143-R146 HydrophobicContact CE3-CB 4.06Å; W143-R146 WeakPolarHBondContact O-CB 3.39Å; W143-R146 PolarHBondContact O-N 3.3Å; W143-R146 VanDerWaalsContact O-N 3.11Å; K144-R146 PolarHBondContact O-N 2.81Å
147	I	83.7	Confident	90.4	Very high	12 Å²	12	60.5 Å²	60.5	6%	0.062	32%	0.316	C	S	.	.	S	Bend	trans	-95.8	125.2	177.6	-61.6	171.1	0	0	0	107.5	L151 L174 F320	I147-L151 HydrophobicContact CG2-CD1 3.76Å; I147-L174 HydrophobicContact CD1-CD2 3.5Å; I147-L174 VanDerWaalsContact CD1-CD2 3.5Å; I147-L174 HydrophobicContact CG1-CD2 3.87Å; I147-L174 HydrophobicContact CG2-CD2 4.4Å; I147-F320 HydrophobicContact CD1-CD1 3.8Å; I147-F320 HydrophobicContact CD1-CD2 3.7Å; I147-F320 HydrophobicContact CD1-CE1 3.81Å; I147-F320 HydrophobicContact CD1-CE2 3.74Å; I147-F320 HydrophobicContact CD1-CG 3.74Å; I147-F320 HydrophobicContact CD1-CZ 3.78Å
148	P	79.6	Confident	90.4	Very high	52 Å²	52	56.6 Å²	56.6	34%	0.338	30%	0.301	S	S	.	.			trans	-71.9	158.1	-178.1	32.4	-36.4	0	0	0	111.5	P150 L151 M170	P148-P150 CarbonylContact O-C 3.52Å; P148-L151 PolarHBondContact O-N 2.99Å; P148-M170 WeakPolarHBondContact CD-SD 3.23Å; P148-M170 HydrophobicContact CG-CE 3.59Å; P148-M170 HydrophobicContact CG-CG 4.44Å; P148-M170 HydrophobicContact CG-SD 3.87Å
149	M	78.4	Confident	90.1	Very high	78 Å²	78	58.5 Å²	58.5	38%	0.384	32%	0.316	S	S	.	.	S	Bend	trans	-129.5	122.4	172.3	-64.2	-164	-178.2	0	0	109.9	D230 L321	M149-D230 HydrophobicContact CE-CB 4.16Å; M149-D230 WeakPolarHBondContact CE-OD1 3.34Å; M149-L321 HydrophobicContact CE-CD2 3.69Å; M149-L321 HydrophobicContact CE-CG 3.9Å; M149-L321 HydrophobicContact SD-CD2 3.51Å; M149-L321 VanDerWaalsContact SD-CD2 3.51Å; M149-L321 HydrophobicContact SD-CG 4.18Å
150	P	83.9	Confident	89.8	Confident	63 Å²	63	61.5 Å²	61.5	41%	0.409	34%	0.337	S	S	.	.	S	Bend	cis	-65.5	154.6	-2.7	29.9	-35.9	0	0	0	113	P148	P148-P150 CarbonylContact O-C 3.52Å
151	L	88.6	Confident	89.9	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.021	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-72.3	127.2	166.1	-172.8	80	0	0	0	107.7	I116 I147 P148 L153 V166 M170 L174 W231	I116-L151 HydrophobicContact CD1-CD2 4.09Å; I147-L151 HydrophobicContact CG2-CD1 3.76Å; P148-L151 PolarHBondContact O-N 2.99Å; L151-L153 HydrophobicContact CD2-CD2 4.22Å; L151-L153 PolarHBondContact O-N 3.29Å; L151-V166 HydrophobicContact CD2-CG1 4.34Å; L151-V166 HydrophobicContact CD2-CG2 4.16Å; L151-V166 HydrophobicContact CG-CG1 4.44Å; L151-M170 HydrophobicContact CD1-CG 3.44Å; L151-M170 VanDerWaalsContact CD1-CG 3.44Å; L151-M170 HydrophobicContact CD1-SD 4.28Å; L151-M170 HydrophobicContact CG-CG 4.44Å; L151-L174 HydrophobicContact CD1-CD1 4.3Å; L151-L174 HydrophobicContact CD2-CD1 4.32Å; L151-W231 HydrophobicContact CB-CZ2 4.24Å; L151-W231 HydrophobicContact CD2-CD2 4.3Å; L151-W231 HydrophobicContact CD2-CH2 4.25Å; L151-W231 HydrophobicContact CD2-CZ2 3.61Å
152	P	91.3	Very high	90	Very high	39 Å²	39	60.3 Å²	60.3	25%	0.253	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-67.3	118.9	179.8	27.8	-35.1	0	0	0	110.5	E167 M170	P152-E167 HydrophobicContact CB-CB 3.85Å; P152-E167 WeakPolarHBondContact CB-OE2 3.4Å; P152-E167 HydrophobicContact CG-CB 3.78Å; P152-E167 WeakPolarHBondContact CG-OE2 3.46Å; P152-E167 PolarHBondContact O-N 2.98Å; P152-E167 VanDerWaalsContact O-N 3.17Å; P152-M170 HydrophobicContact CG-CB 3.94Å; P152-M170 HydrophobicContact CG-CG 4.26Å
153	L	93.6	Very high	90.2	Very high	16 Å²	16	55 Å²	55	8%	0.084	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	132.1	-177.2	-72.3	178.2	0	0	0	110.6	L89 L151 L164 F165 V166 V225 W231	L89-L153 HydrophobicContact CD2-CD1 3.84Å; L151-L153 HydrophobicContact CD2-CD2 4.22Å; L151-L153 PolarHBondContact O-N 3.29Å; L153-L164 HydrophobicContact CB-CB 4.37Å; L153-L164 HydrophobicContact CD1-CB 4.34Å; L153-L164 HydrophobicContact CD1-CD1 4.1Å; L153-L164 HydrophobicContact CD2-CB 4.3Å; L153-F165 CarbonylContact C-O 3.52Å; L153-F165 VanDerWaalsContact CA-O 3.29Å; L153-F165 WeakPolarHBondContact CA-O 3.26Å; L153-V166 HydrophobicContact CD2-CG2 3.92Å; L153-V225 HydrophobicContact CB-CB 4.19Å; L153-V225 HydrophobicContact CB-CG1 4.44Å; L153-W231 HydrophobicContact CD1-CH2 4.38Å; L153-W231 HydrophobicContact CD1-CZ2 4.06Å
154	E	94.3	Very high	90.4	Very high	131 Å²	131	54.2 Å²	54.2	61%	0.612	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.2	127.7	178.1	-63.1	-170.6	160.5	0	0	111	Y156 L164 F165	E154-Y156 PolarHBondContact O-N 3.24Å; E154-L164 CarbonylContact O-C 3.6Å; E154-L164 WeakPolarHBondContact O-CA 3.49Å; E154-F165 PolarHBondContact N-O 3.02Å; E154-F165 PolarHBondContact O-N 3.47Å
155	L	95.9	Very high	90.8	Very high	67 Å²	67	52.1 Å²	52.1	35%	0.351	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	119.6	177.5	173.6	60.6	0	0	0	110.7	I157 I162 L164 A220 K221	L155-I157 HydrophobicContact CD1-CD1 4.35Å; L155-I157 HydrophobicContact CD1-CG1 4.06Å; L155-I157 HydrophobicContact CD2-CD1 4.16Å; L155-I157 HydrophobicContact CG-CD1 4.24Å; L155-I157 HydrophobicContact CG-CG1 4.15Å; L155-I162 HydrophobicContact CD1-CG2 4.25Å; L155-L164 HydrophobicContact CB-CD2 3.93Å; L155-L164 HydrophobicContact CD1-CD2 3.77Å; L155-L164 HydrophobicContact CG-CD2 4.43Å; L155-A220 HydrophobicContact CD1-CB 4.03Å; L155-A220 HydrophobicContact CD2-CB 4.35Å; L155-K221 HydrophobicContact CD2-CG 4Å
156	Y	96.6	Very high	91.5	Very high	119 Å²	119	49.5 Å²	49.5	47%	0.467	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	136	173.3	178.2	-92.1	0	0	0	111	E154 F161 I162 G163 F165	E154-Y156 PolarHBondContact O-N 3.24Å; Y156-F161 AromaticContact CD1-CD1 3.96Å; Y156-F161 HydrophobicContact CD1-CD1 3.96Å; Y156-F161 HydrophobicContact CD1-CE1 4.41Å; Y156-F161 HydrophobicContact CE1-CD1 4.25Å; Y156-I162 WeakPolarHBondContact O-CA 3.4Å; Y156-G163 PolarHBondContact N-O 3.1Å; Y156-G163 PolarHBondContact O-N 2.98Å; Y156-G163 VanDerWaalsContact O-N 3.12Å; Y156-F165 VanDerWaalsContact CB-CD2 3.45Å; Y156-F165 AromaticContact CD1-CE2 3.74Å; Y156-F165 HydrophobicContact CD1-CE2 3.74Å; Y156-F165 HydrophobicContact CG-CD2 4.13Å; Y156-F165 AromaticContact CG-CE2 3.75Å; Y156-F165 HydrophobicContact CG-CE2 3.75Å
157	I	96.1	Very high	91.9	Very high	46 Å²	46	46.2 Å²	46.2	24%	0.236	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	128.8	-179	-60.6	-176.6	0	0	0	108.6	L155 I162 L213 E217 A220 K221	L155-I157 HydrophobicContact CD1-CD1 4.35Å; L155-I157 HydrophobicContact CD1-CG1 4.06Å; L155-I157 HydrophobicContact CD2-CD1 4.16Å; L155-I157 HydrophobicContact CG-CD1 4.24Å; L155-I157 HydrophobicContact CG-CG1 4.15Å; I157-I162 HydrophobicContact CG1-CG1 4.37Å; I157-I162 HydrophobicContact CG1-CG2 4.25Å; I157-I162 HydrophobicContact CG2-CG1 4.2Å; I157-L213 HydrophobicContact CG2-CD1 4.05Å; I157-E217 HydrophobicContact CD1-CB 4.19Å; I157-E217 HydrophobicContact CD1-CG 3.79Å; I157-A220 HydrophobicContact CD1-CB 4.38Å; I157-K221 HydrophobicContact CD1-CG 4.46Å
158	S	94.4	Very high	92.4	Very high	27 Å²	27	52.3 Å²	52.3	19%	0.189	28%	0.277	C	S	.	.			trans	-133	177.9	169.9	81.9	0	0	0	0	110.6	S160 F161 L213	S158-S160 PolarHBondContact O-N 3.34Å; S158-S160 VanDerWaalsContact O-N 3.14Å; S158-S160 PolarHBondContact OG-N 3.05Å; S158-F161 PolarHBondContact N-O 3.38Å; S158-F161 PolarHBondContact OG-N 2.75Å; S158-F161 VanDerWaalsContact OG-N 3.16Å; S158-F161 PolarHBondContact OG-O 2.96Å; S158-L213 WeakPolarHBondContact O-CD1 3.2Å
159	S	90.6	Very high	93	Very high	88 Å²	88	56.8 Å²	56.8	62%	0.615	29%	0.293	S	S	*	.	S	Bend	trans	-64.9	-12.4	178.7	53.4	0	0	0	0	115.1
160	S	90.2	Very high	93.6	Very high	66 Å²	66	54.4 Å²	54.4	46%	0.462	28%	0.282	S	S	.	.	S	Bend	trans	-136.3	-5.6	-175.4	61	0	0	0	0	115.1	S158 Y206 H207	S158-S160 PolarHBondContact O-N 3.34Å; S158-S160 VanDerWaalsContact O-N 3.14Å; S158-S160 PolarHBondContact OG-N 3.05Å; S160-Y206 WeakPolarHBondContact O-CA 3.28Å; S160-H207 PolarHBondContact O-N 2.78Å
161	F	95.8	Very high	94.1	Very high	39 Å²	39	51.4 Å²	51.4	17%	0.171	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	138.9	-175.4	-177.6	-85.9	0	0	0	111.8	Y156 S158 F165 H201 T203 A205	Y156-F161 AromaticContact CD1-CD1 3.96Å; Y156-F161 HydrophobicContact CD1-CD1 3.96Å; Y156-F161 HydrophobicContact CD1-CE1 4.41Å; Y156-F161 HydrophobicContact CE1-CD1 4.25Å; S158-F161 PolarHBondContact N-O 3.38Å; S158-F161 PolarHBondContact OG-N 2.75Å; S158-F161 VanDerWaalsContact OG-N 3.16Å; S158-F161 PolarHBondContact OG-O 2.96Å; F161-F165 AromaticContact CE1-CE2 3.78Å; F161-F165 HydrophobicContact CE1-CE2 3.78Å; F161-F165 HydrophobicContact CE1-CZ 4Å; F161-H201 AromaticContact CZ-CD2 3.68Å; F161-H201 AromaticContact CZ-NE2 3.97Å; F161-T203 HydrophobicContact CE2-CG2 3.92Å; F161-T203 HydrophobicContact CZ-CG2 4.43Å; F161-A205 CarbonylContact C-O 3.59Å; F161-A205 WeakPolarHBondContact CA-O 3.04Å
162	I	97.3	Very high	94.4	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	131.9	171.5	-61	171.4	0	0	0	108.1	L155 Y156 I157 M204 A205 F208 L213 L216 A220	L155-I162 HydrophobicContact CD1-CG2 4.25Å; Y156-I162 WeakPolarHBondContact O-CA 3.4Å; I157-I162 HydrophobicContact CG1-CG1 4.37Å; I157-I162 HydrophobicContact CG1-CG2 4.25Å; I157-I162 HydrophobicContact CG2-CG1 4.2Å; I162-M204 HydrophobicContact CG2-CB 4.27Å; I162-M204 HydrophobicContact CG2-CE 4.22Å; I162-M204 HydrophobicContact CG2-SD 4.36Å; I162-M204 WeakPolarHBondContact O-CB 3Å; I162-M204 PolarHBondContact O-N 2.9Å; I162-A205 HydrophobicContact CB-CB 4.33Å; I162-A205 PolarHBondContact N-O 2.89Å; I162-A205 PolarHBondContact O-N 3.41Å; I162-A205 VanDerWaalsContact O-N 3.07Å; I162-F208 HydrophobicContact CD1-CE1 4.24Å; I162-F208 HydrophobicContact CD1-CZ 4.08Å; I162-F208 HydrophobicContact CG1-CE1 4.18Å; I162-F208 HydrophobicContact CG1-CZ 4.1Å; I162-L213 HydrophobicContact CD1-CD1 4.29Å; I162-L216 HydrophobicContact CD1-CB 3.52Å; I162-A220 HydrophobicContact CG2-CB 3.76Å
163	G	97	Very high	94.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169	169.9	178	0	0	0	0	0	113.7	Y156 V202	Y156-G163 PolarHBondContact N-O 3.1Å; Y156-G163 PolarHBondContact O-N 2.98Å; Y156-G163 VanDerWaalsContact O-N 3.12Å; G163-V202 CarbonylContact C-O 3.46Å; G163-V202 WeakPolarHBondContact CA-O 3.25Å
164	L	96.4	Very high	94.7	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	110.4	176.6	-54.1	179.5	0	0	0	108.9	L93 L153 E154 L155 H201 V202 M204 V225	L93-L164 HydrophobicContact CD2-CD1 4.09Å; L153-L164 HydrophobicContact CB-CB 4.37Å; L153-L164 HydrophobicContact CD1-CB 4.34Å; L153-L164 HydrophobicContact CD1-CD1 4.1Å; L153-L164 HydrophobicContact CD2-CB 4.3Å; E154-L164 CarbonylContact O-C 3.6Å; E154-L164 WeakPolarHBondContact O-CA 3.49Å; L155-L164 HydrophobicContact CB-CD2 3.93Å; L155-L164 HydrophobicContact CD1-CD2 3.77Å; L155-L164 HydrophobicContact CG-CD2 4.43Å; L164-H201 CarbonylContact O-C 3.52Å; L164-H201 WeakPolarHBondContact O-CA 3.08Å; L164-H201 WeakPolarHBondContact O-CB 3.01Å; L164-V202 HydrophobicContact CB-CB 4.28Å; L164-V202 PolarHBondContact N-O 2.69Å; L164-V202 PolarHBondContact O-N 2.94Å; L164-M204 HydrophobicContact CD1-SD 4.31Å; L164-M204 HydrophobicContact CD2-SD 3.9Å; L164-M204 HydrophobicContact CG-SD 3.7Å; L164-V225 HydrophobicContact CD1-CG1 3.83Å; L164-V225 HydrophobicContact CD2-CG1 3.81Å; L164-V225 HydrophobicContact CG-CG1 4.42Å
165	F	96.9	Very high	94.7	Very high	51 Å²	51	50.2 Å²	50.2	22%	0.224	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	140.1	177.9	-76.8	-93.7	0	0	0	110.9	L153 E154 Y156 F161 Q199 H201	L153-F165 CarbonylContact C-O 3.52Å; L153-F165 VanDerWaalsContact CA-O 3.29Å; L153-F165 WeakPolarHBondContact CA-O 3.26Å; E154-F165 PolarHBondContact N-O 3.02Å; E154-F165 PolarHBondContact O-N 3.47Å; Y156-F165 VanDerWaalsContact CB-CD2 3.45Å; Y156-F165 AromaticContact CD1-CE2 3.74Å; Y156-F165 HydrophobicContact CD1-CE2 3.74Å; Y156-F165 HydrophobicContact CG-CD2 4.13Å; Y156-F165 AromaticContact CG-CE2 3.75Å; Y156-F165 HydrophobicContact CG-CE2 3.75Å; F161-F165 AromaticContact CE1-CE2 3.78Å; F161-F165 HydrophobicContact CE1-CE2 3.78Å; F161-F165 HydrophobicContact CE1-CZ 4Å; F165-Q199 HydrophobicContact CD1-CB 4.07Å; F165-Q199 HydrophobicContact CD1-CG 3.61Å; F165-Q199 HydrophobicContact CE1-CB 4.19Å; F165-Q199 HydrophobicContact CE1-CG 4.24Å; F165-H201 HydrophobicContact CB-CB 4.5Å; F165-H201 HydrophobicContact CD1-CB 3.67Å; F165-H201 HydrophobicContact CD2-CB 4.32Å; F165-H201 HydrophobicContact CE1-CB 3.86Å; F165-H201 AromaticContact CE1-CG 3.94Å; F165-H201 AromaticContact CE1-ND1 3.85Å; F165-H201 HydrophobicContact CE2-CB 4.48Å; F165-H201 HydrophobicContact CG-CB 3.94Å; F165-H201 HydrophobicContact CZ-CB 4.27Å
166	V	95.4	Very high	94.8	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.012	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.6	170.5	-173.4	0	0	0	0	108.7	I116 L151 L153 M170 A171 L174 Q199 L200	I116-V166 HydrophobicContact CD1-CG2 3.71Å; L151-V166 HydrophobicContact CD2-CG1 4.34Å; L151-V166 HydrophobicContact CD2-CG2 4.16Å; L151-V166 HydrophobicContact CG-CG1 4.44Å; L153-V166 HydrophobicContact CD2-CG2 3.92Å; V166-M170 HydrophobicContact CG1-CB 3.89Å; V166-M170 HydrophobicContact CG1-CG 4.12Å; V166-A171 HydrophobicContact CB-CB 4.32Å; V166-A171 HydrophobicContact CG1-CB 4.32Å; V166-L174 HydrophobicContact CG1-CD1 4.2Å; V166-L174 HydrophobicContact CG2-CD1 4.37Å; V166-Q199 PolarHBondContact O-NE2 2.97Å; V166-L200 HydrophobicContact CB-CB 4.24Å; V166-L200 HydrophobicContact CG2-CB 3.94Å; V166-L200 PolarHBondContact N-O 3.23Å
167	E	94.5	Very high	94.8	Very high	69 Å²	69	44.1 Å²	44.1	32%	0.322	24%	0.235	S	C	.	.	P	Polyproline II helix	trans	-53.3	138.3	173.3	-171.7	-166	156.7	0	0	110.7	P152 Q169 M170 A171	P152-E167 HydrophobicContact CB-CB 3.85Å; P152-E167 WeakPolarHBondContact CB-OE2 3.4Å; P152-E167 HydrophobicContact CG-CB 3.78Å; P152-E167 WeakPolarHBondContact CG-OE2 3.46Å; P152-E167 PolarHBondContact O-N 2.98Å; P152-E167 VanDerWaalsContact O-N 3.17Å; E167-Q169 PolarHBondContact O-N 3.38Å; E167-Q169 PolarHBondContact OE1-NE2 2.9Å; E167-M170 CarbonylContact O-C 3.55Å; E167-M170 WeakPolarHBondContact O-CA 3.42Å; E167-M170 PolarHBondContact O-N 3.13Å; E167-A171 PolarHBondContact O-N 2.87Å
168	E	93.3	Very high	94.8	Very high	141 Å²	141	42 Å²	42	66%	0.659	22%	0.224	S	C	*	.	H	α-helix	trans	-50.9	-47.6	-172.2	-172.2	173.2	-160.1	0	0	114	M170 A171 E172	E168-M170 PolarHBondContact O-N 2.77Å; E168-A171 WeakPolarHBondContact O-CB 3.38Å; E168-A171 PolarHBondContact O-N 3.5Å; E168-E172 PolarHBondContact O-N 2.76Å; E168-E172 VanDerWaalsContact O-N 3.13Å
169	Q	92.1	Very high	95	Very high	146 Å²	146	42.7 Å²	42.7	68%	0.682	23%	0.232	S	C	*	.	H	α-helix	trans	-57.1	-40.2	178	-63	-177.2	66.2	0	0	112.2	E167 V173	E167-Q169 PolarHBondContact O-N 3.38Å; E167-Q169 PolarHBondContact OE1-NE2 2.9Å; Q169-V173 WeakPolarHBondContact O-CG2 3.43Å; Q169-V173 PolarHBondContact O-N 2.91Å
170	M	92.1	Very high	95.3	Very high	28 Å²	28	40.5 Å²	40.5	14%	0.138	21%	0.213	C	C	.	.	H	α-helix	trans	-82.7	-29.3	-178.9	-165.8	53.5	44.3	0	0	112.4	P148 L151 P152 V166 E167 E168 E172 V173 L174	P148-M170 WeakPolarHBondContact CD-SD 3.23Å; P148-M170 HydrophobicContact CG-CE 3.59Å; P148-M170 HydrophobicContact CG-CG 4.44Å; P148-M170 HydrophobicContact CG-SD 3.87Å; L151-M170 HydrophobicContact CD1-CG 3.44Å; L151-M170 VanDerWaalsContact CD1-CG 3.44Å; L151-M170 HydrophobicContact CD1-SD 4.28Å; L151-M170 HydrophobicContact CG-CG 4.44Å; P152-M170 HydrophobicContact CG-CB 3.94Å; P152-M170 HydrophobicContact CG-CG 4.26Å; V166-M170 HydrophobicContact CG1-CB 3.89Å; V166-M170 HydrophobicContact CG1-CG 4.12Å; E167-M170 CarbonylContact O-C 3.55Å; E167-M170 WeakPolarHBondContact O-CA 3.42Å; E167-M170 PolarHBondContact O-N 3.13Å; E168-M170 PolarHBondContact O-N 2.77Å; M170-E172 VanDerWaalsContact C-N 3.28Å; M170-E172 PolarHBondContact O-N 2.9Å; M170-V173 HydrophobicContact CE-CG2 4.22Å; M170-V173 WeakPolarHBondContact O-CB 3.36Å; M170-V173 PolarHBondContact O-N 2.85Å; M170-V173 HydrophobicContact SD-CB 3.8Å; M170-V173 HydrophobicContact SD-CG1 3.94Å; M170-V173 HydrophobicContact SD-CG2 4.17Å; M170-L174 WeakPolarHBondContact O-CG 3.1Å; M170-L174 PolarHBondContact O-N 3.48Å
171	A	94.8	Very high	95.7	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-59.4	-40.4	171.1	0	0	0	0	0	111	V166 E167 E168 L174 K175 L200	V166-A171 HydrophobicContact CB-CB 4.32Å; V166-A171 HydrophobicContact CG1-CB 4.32Å; E167-A171 PolarHBondContact O-N 2.87Å; E168-A171 WeakPolarHBondContact O-CB 3.38Å; E168-A171 PolarHBondContact O-N 3.5Å; A171-L174 PolarHBondContact O-N 3.31Å; A171-K175 WeakPolarHBondContact O-CB 3.49Å; A171-K175 VanDerWaalsContact O-CG 3.26Å; A171-K175 WeakPolarHBondContact O-CG 3.2Å; A171-K175 PolarHBondContact O-N 3.02Å; A171-L200 HydrophobicContact CB-CB 4.39Å; A171-L200 HydrophobicContact CB-CD1 4.46Å; A171-L200 HydrophobicContact CB-CG 4.38Å
172	E	94.6	Very high	95.8	Very high	89 Å²	89	36 Å²	36	42%	0.416	19%	0.187	S	C	.	.	H	α-helix	trans	-67.6	-34.2	175.1	-64.6	-49.4	125.5	0	0	113.5	E168 M170 K175 S176	E168-E172 PolarHBondContact O-N 2.76Å; E168-E172 VanDerWaalsContact O-N 3.13Å; M170-E172 VanDerWaalsContact C-N 3.28Å; M170-E172 PolarHBondContact O-N 2.9Å; E172-K175 PolarHBondContact O-N 3.36Å; E172-K175 WeakPolarHBondContact OE1-CD 3.42Å; E172-K175 WeakPolarHBondContact OE1-CE 3.25Å; E172-K175 IonicContact OE1-NZ 3.6Å; E172-K175 PolarHBondContact OE1-NZ 3.36Å; E172-S176 WeakPolarHBondContact O-CB 3.28Å; E172-S176 PolarHBondContact O-N 2.89Å; E172-S176 PolarHBondContact O-OG 2.73Å
173	V	94.2	Very high	95.9	Very high	42 Å²	42	40.4 Å²	40.4	26%	0.255	21%	0.214	S	C	.	.	H	α-helix	trans	-63.1	-44.3	172.1	175.4	0	0	0	0	110.7	W143 Q169 M170 S176 F177	W143-V173 HydrophobicContact CZ3-CG1 3.84Å; W143-V173 WeakPolarHBondContact CZ3-O 3.39Å; Q169-V173 WeakPolarHBondContact O-CG2 3.43Å; Q169-V173 PolarHBondContact O-N 2.91Å; M170-V173 HydrophobicContact CE-CG2 4.22Å; M170-V173 WeakPolarHBondContact O-CB 3.36Å; M170-V173 PolarHBondContact O-N 2.85Å; M170-V173 HydrophobicContact SD-CB 3.8Å; M170-V173 HydrophobicContact SD-CG1 3.94Å; M170-V173 HydrophobicContact SD-CG2 4.17Å; V173-S176 WeakPolarHBondContact O-CB 3.33Å; V173-S176 PolarHBondContact O-N 3.46Å; V173-F177 PolarHBondContact O-N 2.92Å
174	L	95.6	Very high	95.9	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-70.7	-36.3	178	-64.1	-177.7	0	0	0	113.1	L83 L118 I147 L151 V166 M170 A171 S176 F177 A178 L200	L83-L174 HydrophobicContact CD1-CD1 3.79Å; L83-L174 HydrophobicContact CD1-CD2 3.84Å; L83-L174 HydrophobicContact CD1-CG 4.3Å; L118-L174 HydrophobicContact CD2-CB 4.29Å; I147-L174 HydrophobicContact CD1-CD2 3.5Å; I147-L174 VanDerWaalsContact CD1-CD2 3.5Å; I147-L174 HydrophobicContact CG1-CD2 3.87Å; I147-L174 HydrophobicContact CG2-CD2 4.4Å; L151-L174 HydrophobicContact CD1-CD1 4.3Å; L151-L174 HydrophobicContact CD2-CD1 4.32Å; V166-L174 HydrophobicContact CG1-CD1 4.2Å; V166-L174 HydrophobicContact CG2-CD1 4.37Å; M170-L174 WeakPolarHBondContact O-CG 3.1Å; M170-L174 PolarHBondContact O-N 3.48Å; A171-L174 PolarHBondContact O-N 3.31Å; L174-S176 VanDerWaalsContact C-N 3.31Å; L174-F177 WeakPolarHBondContact O-CB 3.28Å; L174-F177 PolarHBondContact O-N 2.82Å; L174-A178 PolarHBondContact O-N 3.13Å; L174-L200 HydrophobicContact CB-CD1 3.5Å; L174-L200 HydrophobicContact CD1-CD1 4.07Å; L174-L200 HydrophobicContact CG-CD1 4.43Å
175	K	96	Very high	96	Very high	33 Å²	33	42.7 Å²	42.7	14%	0.143	23%	0.225	C	C	.	.	H	α-helix	trans	-63.1	-38	170.5	-71.8	172.1	-164.8	171.3	0	111.4	A171 E172 A178 A179 K198 L200	A171-K175 WeakPolarHBondContact O-CB 3.49Å; A171-K175 VanDerWaalsContact O-CG 3.26Å; A171-K175 WeakPolarHBondContact O-CG 3.2Å; A171-K175 PolarHBondContact O-N 3.02Å; E172-K175 PolarHBondContact O-N 3.36Å; E172-K175 WeakPolarHBondContact OE1-CD 3.42Å; E172-K175 WeakPolarHBondContact OE1-CE 3.25Å; E172-K175 IonicContact OE1-NZ 3.6Å; E172-K175 PolarHBondContact OE1-NZ 3.36Å; K175-A178 PolarHBondContact O-N 2.82Å; K175-A179 WeakPolarHBondContact O-CB 3.32Å; K175-A179 PolarHBondContact O-N 2.9Å; K175-K198 WeakPolarHBondContact CE-O 3.29Å; K175-L200 HydrophobicContact CG-CD1 4.26Å; K175-L200 HydrophobicContact CG-CG 4.48Å
176	S	96.4	Very high	96	Very high	58 Å²	58	43.5 Å²	43.5	41%	0.406	23%	0.234	S	C	.	.	H	α-helix	trans	-65.1	-39.4	175	-60.4	0	0	0	0	112.1	E172 V173 L174 A179 D180	E172-S176 WeakPolarHBondContact O-CB 3.28Å; E172-S176 PolarHBondContact O-N 2.89Å; E172-S176 PolarHBondContact O-OG 2.73Å; V173-S176 WeakPolarHBondContact O-CB 3.33Å; V173-S176 PolarHBondContact O-N 3.46Å; L174-S176 VanDerWaalsContact C-N 3.31Å; S176-A179 PolarHBondContact O-N 2.82Å; S176-D180 PolarHBondContact O-N 3.2Å
177	F	96.8	Very high	96.1	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-44.9	169.6	165.4	-101.8	0	0	0	112.1	L81 L118 L136 T139 V140 W143 V173 L174 A179 D180 F181 A233 F320	L81-F177 HydrophobicContact CD2-CE1 4.08Å; L118-F177 HydrophobicContact CD1-CD1 3.64Å; L118-F177 HydrophobicContact CD1-CE1 3.51Å; L136-F177 HydrophobicContact CD1-CZ 4.19Å; T139-F177 HydrophobicContact CG2-CD2 3.78Å; T139-F177 HydrophobicContact CG2-CE2 3.56Å; T139-F177 HydrophobicContact CG2-CZ 4.44Å; V140-F177 HydrophobicContact CG2-CE2 3.88Å; V140-F177 HydrophobicContact CG2-CZ 3.76Å; W143-F177 HydrophobicContact CB-CD2 3.91Å; W143-F177 HydrophobicContact CB-CE2 4.4Å; W143-F177 AromaticContact CD1-CD2 3.79Å; W143-F177 HydrophobicContact CD2-CB 3.9Å; W143-F177 AromaticContact CD2-CD2 3.98Å; W143-F177 HydrophobicContact CD2-CD2 3.98Å; W143-F177 HydrophobicContact CD2-CG 4.44Å; W143-F177 HydrophobicContact CE3-CB 3.95Å; W143-F177 HydrophobicContact CG-CB 4.45Å; W143-F177 AromaticContact CG-CD2 3.61Å; W143-F177 HydrophobicContact CG-CD2 3.61Å; W143-F177 HydrophobicContact CG-CE2 4.43Å; W143-F177 HydrophobicContact CG-CG 4.49Å; W143-F177 HydrophobicContact CH2-CB 4.38Å; W143-F177 HydrophobicContact CZ2-CB 4.32Å; W143-F177 HydrophobicContact CZ3-CB 4.19Å; V173-F177 PolarHBondContact O-N 2.92Å; L174-F177 WeakPolarHBondContact O-CB 3.28Å; L174-F177 PolarHBondContact O-N 2.82Å; F177-A179 VanDerWaalsContact C-N 3.34Å; F177-A179 PolarHBondContact O-N 2.91Å; F177-D180 PolarHBondContact O-N 3.43Å; F177-F181 PolarHBondContact O-N 2.8Å; F177-A233 HydrophobicContact CE1-CB 4.32Å; F177-A233 HydrophobicContact CZ-CB 4.04Å; F177-F320 HydrophobicContact CD1-CZ 4.24Å; F177-F320 AromaticContact CD2-CE1 3.99Å; F177-F320 HydrophobicContact CD2-CE1 3.99Å; F177-F320 HydrophobicContact CD2-CZ 4.13Å; F177-F320 AromaticContact CE1-CZ 3.85Å; F177-F320 HydrophobicContact CE1-CZ 3.85Å; F177-F320 AromaticContact CE2-CE1 3.7Å; F177-F320 HydrophobicContact CE2-CE1 3.7Å; F177-F320 AromaticContact CE2-CZ 3.71Å; F177-F320 HydrophobicContact CE2-CZ 3.71Å; F177-F320 HydrophobicContact CG-CZ 4.39Å; F177-F320 HydrophobicContact CZ-CE1 4.07Å; F177-F320 AromaticContact CZ-CZ 3.58Å; F177-F320 HydrophobicContact CZ-CZ 3.58Å
178	A	97.4	Very high	96.2	Very high	1 Å²	1	48.3 Å²	48.3	1%	0.008	27%	0.265	C	S	.	.	H	α-helix	trans	-64.9	-35.1	177.7	0	0	0	0	0	113.1	L118 L174 K175 F181 A182 P195	L118-A178 HydrophobicContact CB-CB 4.1Å; L118-A178 WeakPolarHBondContact O-CB 3.09Å; L174-A178 PolarHBondContact O-N 3.13Å; K175-A178 PolarHBondContact O-N 2.82Å; A178-F181 PolarHBondContact O-N 2.88Å; A178-A182 WeakPolarHBondContact O-CB 3.12Å; A178-A182 PolarHBondContact O-N 3.24Å; A178-P195 HydrophobicContact CB-CB 4.06Å
179	A	97.8	Very high	96.3	Very high	41 Å²	41	41.8 Å²	41.8	34%	0.339	24%	0.235	S	C	.	.	H	α-helix	trans	-70.6	-38.6	174.7	0	0	0	0	0	113	K175 S176 F177 A182 T183 P195	K175-A179 WeakPolarHBondContact O-CB 3.32Å; K175-A179 PolarHBondContact O-N 2.9Å; S176-A179 PolarHBondContact O-N 2.82Å; F177-A179 VanDerWaalsContact C-N 3.34Å; F177-A179 PolarHBondContact O-N 2.91Å; A179-A182 PolarHBondContact O-N 3.36Å; A179-T183 PolarHBondContact O-N 3.35Å; A179-T183 PolarHBondContact O-OG1 3.42Å; A179-P195 HydrophobicContact CB-CG 4.14Å
180	D	97.6	Very high	96.5	Very high	43 Å²	43	40.5 Å²	40.5	23%	0.23	23%	0.233	C	C	.	.	H	α-helix	trans	-61.5	-44.9	170.3	-101.2	-1.4	0	0	0	111	T139 K142 W143 S176 F177 A182 T183 E184	T139-D180 HydrophobicContact CG2-CB 3.98Å; K142-D180 VanDerWaalsContact CE-OD2 3.25Å; K142-D180 WeakPolarHBondContact CE-OD2 3.49Å; K142-D180 IonicContact NZ-OD1 3.29Å; K142-D180 PolarHBondContact NZ-OD1 3.02Å; K142-D180 VanDerWaalsContact NZ-OD1 3.13Å; K142-D180 IonicContact NZ-OD2 3.57Å; K142-D180 PolarHBondContact NZ-OD2 3.38Å; W143-D180 HydrophobicContact CZ2-CB 4.48Å; W143-D180 WeakPolarHBondContact CZ2-OD2 3.27Å; W143-D180 PolarHBondContact NE1-OD2 3.49Å; S176-D180 PolarHBondContact O-N 3.2Å; F177-D180 PolarHBondContact O-N 3.43Å; D180-A182 PolarHBondContact O-N 2.82Å; D180-T183 WeakPolarHBondContact O-CB 3.3Å; D180-T183 PolarHBondContact O-N 3.23Å; D180-E184 PolarHBondContact O-N 2.84Å
181	F	98.1	Very high	96.7	Very high	1 Å²	1	39.4 Å²	39.4	0%	0.004	23%	0.228	C	C	.	.	H	α-helix	trans	-60.4	-44	174.4	170.4	-111.1	0	0	0	112	L81 F122 L132 L136 T139 F177 A178 T183 E184 A185 V193	L81-F181 HydrophobicContact CB-CE1 4.23Å; L81-F181 HydrophobicContact CD2-CB 4.28Å; L81-F181 HydrophobicContact CD2-CD1 3.46Å; L81-F181 VanDerWaalsContact CD2-CD1 3.46Å; L81-F181 HydrophobicContact CD2-CE1 3.86Å; L81-F181 HydrophobicContact CD2-CG 3.81Å; F122-F181 HydrophobicContact CE1-CE1 4.44Å; F122-F181 HydrophobicContact CZ-CE1 4.24Å; F122-F181 HydrophobicContact CZ-CZ 4.37Å; L132-F181 HydrophobicContact CD1-CE2 4.24Å; L132-F181 HydrophobicContact CD1-CZ 3.82Å; L136-F181 HydrophobicContact CB-CD2 4.17Å; L136-F181 HydrophobicContact CB-CE2 3.76Å; L136-F181 HydrophobicContact CD1-CD2 4.02Å; L136-F181 HydrophobicContact CD1-CE2 4.19Å; T139-F181 HydrophobicContact CG2-CB 4.06Å; F177-F181 PolarHBondContact O-N 2.8Å; A178-F181 PolarHBondContact O-N 2.88Å; F181-T183 VanDerWaalsContact C-N 3.26Å; F181-T183 PolarHBondContact O-N 2.84Å; F181-E184 PolarHBondContact O-N 2.89Å; F181-A185 HydrophobicContact CE2-CB 4.37Å; F181-A185 HydrophobicContact CZ-CB 4.36Å; F181-A185 VanDerWaalsContact O-CB 3.26Å; F181-A185 WeakPolarHBondContact O-CB 3.23Å; F181-A185 PolarHBondContact O-N 3.42Å; F181-V193 HydrophobicContact CD1-CG1 4.29Å; F181-V193 HydrophobicContact CE1-CG1 4.17Å; F181-V193 HydrophobicContact CE1-CG2 4.12Å
182	A	98.1	Very high	96.8	Very high	9 Å²	9	46.5 Å²	46.5	7%	0.074	26%	0.261	C	S	.	.	H	α-helix	trans	-61.1	-36	177.5	0	0	0	0	0	112.6	A178 A179 D180 T186 V193 P195	A178-A182 WeakPolarHBondContact O-CB 3.12Å; A178-A182 PolarHBondContact O-N 3.24Å; A179-A182 PolarHBondContact O-N 3.36Å; D180-A182 PolarHBondContact O-N 2.82Å; A182-T186 WeakPolarHBondContact O-CB 3.42Å; A182-T186 PolarHBondContact O-N 3.45Å; A182-T186 PolarHBondContact O-OG1 3.01Å; A182-V193 HydrophobicContact CB-CB 3.84Å; A182-V193 HydrophobicContact CB-CG1 4.31Å; A182-V193 WeakPolarHBondContact CB-O 3.23Å; A182-P195 HydrophobicContact CB-CG 4.13Å
183	T	98.2	Very high	96.9	Very high	92 Å²	92	42.5 Å²	42.5	56%	0.564	24%	0.243	S	C	*	.	H	α-helix	trans	-70.1	-44.4	175.9	-59.2	0	0	0	0	110.9	A179 D180 F181 T186 S187	A179-T183 PolarHBondContact O-N 3.35Å; A179-T183 PolarHBondContact O-OG1 3.42Å; D180-T183 WeakPolarHBondContact O-CB 3.3Å; D180-T183 PolarHBondContact O-N 3.23Å; F181-T183 VanDerWaalsContact C-N 3.26Å; F181-T183 PolarHBondContact O-N 2.84Å; T183-T186 PolarHBondContact O-N 3.42Å; T183-S187 WeakPolarHBondContact O-CB 3.47Å; T183-S187 PolarHBondContact O-N 3.31Å
184	E	97.9	Very high	97	Very high	50 Å²	50	43.4 Å²	43.4	23%	0.234	24%	0.244	C	C	.	.	H	α-helix	trans	-66.6	-39.8	177.9	-162.6	67.5	-163.5	0	0	111.9	A135 T138 D180 F181 S187 K188	A135-E184 HydrophobicContact CB-CB 4.13Å; A135-E184 HydrophobicContact CB-CG 3.72Å; T138-E184 HydrophobicContact CG2-CG 4.44Å; D180-E184 PolarHBondContact O-N 2.84Å; F181-E184 PolarHBondContact O-N 2.89Å; E184-S187 PolarHBondContact O-N 2.96Å; E184-K188 HydrophobicContact CG-CD 4.2Å; E184-K188 WeakPolarHBondContact O-CB 3.4Å; E184-K188 PolarHBondContact O-N 3.05Å; E184-K188 WeakPolarHBondContact OE1-CD 3.33Å; E184-K188 WeakPolarHBondContact OE1-CE 3.47Å; E184-K188 IonicContact OE1-NZ 2.69Å
185	A	97.6	Very high	97.1	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.6	-39.1	174.2	0	0	0	0	0	112.2	L132 F181 A189 D190 V191 V193	L132-A185 HydrophobicContact CD1-CB 3.71Å; F181-A185 HydrophobicContact CE2-CB 4.37Å; F181-A185 HydrophobicContact CZ-CB 4.36Å; F181-A185 VanDerWaalsContact O-CB 3.26Å; F181-A185 WeakPolarHBondContact O-CB 3.23Å; F181-A185 PolarHBondContact O-N 3.42Å; A185-A189 CarbonylContact O-C 3.59Å; A185-A189 WeakPolarHBondContact O-CA 3.27Å; A185-A189 WeakPolarHBondContact O-CB 3.42Å; A185-A189 PolarHBondContact O-N 3.31Å; A185-D190 PolarHBondContact O-N 3.09Å; A185-D190 VanDerWaalsContact O-N 3.17Å; A185-V191 CarbonylContact C-O 3.53Å; A185-V191 PolarHBondContact O-N 3.03Å; A185-V193 HydrophobicContact CB-CG2 3.99Å
186	T	97.8	Very high	96.9	Very high	68 Å²	68	45.3 Å²	45.3	42%	0.417	26%	0.256	S	S	.	.	H	α-helix	trans	-64.7	-43.5	172.2	-56.2	0	0	0	0	110.7	A182 T183 D190 V191	A182-T186 WeakPolarHBondContact O-CB 3.42Å; A182-T186 PolarHBondContact O-N 3.45Å; A182-T186 PolarHBondContact O-OG1 3.01Å; T183-T186 PolarHBondContact O-N 3.42Å; T186-D190 VanDerWaalsContact O-CA 3.3Å; T186-D190 WeakPolarHBondContact O-CA 3.49Å; T186-D190 PolarHBondContact O-N 3.29Å; T186-V191 PolarHBondContact N-O 2.92Å; T186-V191 PolarHBondContact OG1-O 2.86Å
187	S	97.5	Very high	96.6	Very high	95 Å²	95	50 Å²	50	66%	0.664	27%	0.269	S	S	*	.	H	α-helix	trans	-67.3	-48.2	-177.8	-176.1	0	0	0	0	113.6	T183 E184	T183-S187 WeakPolarHBondContact O-CB 3.47Å; T183-S187 PolarHBondContact O-N 3.31Å; E184-S187 PolarHBondContact O-N 2.96Å
188	K	96.6	Very high	96.4	Very high	76 Å²	76	57.5 Å²	57.5	33%	0.33	30%	0.302	S	S	.	.	H	α-helix	trans	-90.5	-37.9	-173.6	-73.6	-173.9	164.7	-177.9	0	114.1	D134 A135 T138 E184	D134-K188 IonicContact OD1-NZ 3.91Å; D134-K188 WeakPolarHBondContact OD2-CD 3.5Å; D134-K188 WeakPolarHBondContact OD2-CE 3.35Å; D134-K188 IonicContact OD2-NZ 2.63Å; D134-K188 PolarHBondContact OD2-NZ 3.34Å; A135-K188 HydrophobicContact CB-CB 4.3Å; A135-K188 HydrophobicContact CB-CD 4.15Å; T138-K188 PolarHBondContact OG1-NZ 3.17Å; E184-K188 HydrophobicContact CG-CD 4.2Å; E184-K188 WeakPolarHBondContact O-CB 3.4Å; E184-K188 PolarHBondContact O-N 3.05Å; E184-K188 WeakPolarHBondContact OE1-CD 3.33Å; E184-K188 WeakPolarHBondContact OE1-CE 3.47Å; E184-K188 IonicContact OE1-NZ 2.69Å
189	A	95	Very high	96.3	Very high	4 Å²	4	60.4 Å²	60.4	3%	0.033	32%	0.315	C	S	.	.	H	α-helix	trans	-110.7	-9.6	-172.6	0	0	0	0	0	113.4	K128 A131 L132 A185 V191	K128-A189 HydrophobicContact CB-CB 4.44Å; K128-A189 WeakPolarHBondContact CD-O 3.43Å; K128-A189 WeakPolarHBondContact CE-O 3.39Å; K128-A189 WeakPolarHBondContact CG-O 3.31Å; K128-A189 PolarHBondContact NZ-O 3.39Å; A131-A189 HydrophobicContact CB-CB 4.08Å; L132-A189 HydrophobicContact CB-CB 4.14Å; A185-A189 CarbonylContact O-C 3.59Å; A185-A189 WeakPolarHBondContact O-CA 3.27Å; A185-A189 WeakPolarHBondContact O-CB 3.42Å; A185-A189 PolarHBondContact O-N 3.31Å; A189-V191 VanDerWaalsContact C-N 3.31Å; A189-V191 HydrophobicContact CB-CB 4.3Å; A189-V191 HydrophobicContact CB-CG2 3.76Å; A189-V191 PolarHBondContact O-N 3.32Å
190	D	96.3	Very high	96.3	Very high	119 Å²	119	58.6 Å²	58.6	64%	0.636	30%	0.3	S	S	*	.			trans	52.2	53.2	-170.3	174.1	55.2	0	0	0	110.1	K128 A185 T186	K128-D190 PolarHBondContact NZ-O 2.96Å; K128-D190 IonicContact NZ-OD2 3.18Å; K128-D190 PolarHBondContact NZ-OD2 2.75Å; A185-D190 PolarHBondContact O-N 3.09Å; A185-D190 VanDerWaalsContact O-N 3.17Å; T186-D190 VanDerWaalsContact O-CA 3.3Å; T186-D190 WeakPolarHBondContact O-CA 3.49Å; T186-D190 PolarHBondContact O-N 3.29Å
191	V	96.2	Very high	96.2	Very high	6 Å²	6	58.8 Å²	58.8	4%	0.036	30%	0.3	C	S	.	.			trans	-124.9	123.3	179.6	174.8	0	0	0	0	109.1	F122 C124 K128 A185 T186 A189 V193	F122-V191 HydrophobicContact CD2-CG1 3.48Å; F122-V191 VanDerWaalsContact CD2-CG1 3.48Å; F122-V191 HydrophobicContact CE2-CG1 3.7Å; C124-V191 HydrophobicContact CB-CG2 4.15Å; K128-V191 HydrophobicContact CD-CG2 4.45Å; A185-V191 CarbonylContact C-O 3.53Å; A185-V191 PolarHBondContact O-N 3.03Å; T186-V191 PolarHBondContact N-O 2.92Å; T186-V191 PolarHBondContact OG1-O 2.86Å; A189-V191 VanDerWaalsContact C-N 3.31Å; A189-V191 HydrophobicContact CB-CB 4.3Å; A189-V191 HydrophobicContact CB-CG2 3.76Å; A189-V191 PolarHBondContact O-N 3.32Å; V191-V193 HydrophobicContact CG1-CG2 4.15Å
192	H	96.6	Very high	96.2	Very high	149 Å²	149	58.8 Å²	58.8	69%	0.69	30%	0.299	S	S	*	.			trans	-82.5	122	174.8	-172.7	64.4	0	0	0	110.7
193	V	97.4	Very high	96.1	Very high	4 Å²	4	59.8 Å²	59.8	2%	0.024	31%	0.305	C	S	.	.			trans	-118.7	130	175.9	-178.5	0	0	0	0	108.2	C119 F122 F181 A182 A185 V191 P195	C119-V193 HydrophobicContact CB-CG1 3.6Å; F122-V193 HydrophobicContact CD1-CB 4.39Å; F122-V193 HydrophobicContact CD1-CG1 3.9Å; F122-V193 HydrophobicContact CD1-CG2 3.99Å; F122-V193 HydrophobicContact CD2-CG2 3.89Å; F122-V193 HydrophobicContact CE1-CG1 3.98Å; F122-V193 HydrophobicContact CE1-CG2 3.94Å; F122-V193 HydrophobicContact CE2-CG2 3.84Å; F122-V193 HydrophobicContact CG-CG2 3.96Å; F122-V193 HydrophobicContact CZ-CG2 3.86Å; F181-V193 HydrophobicContact CD1-CG1 4.29Å; F181-V193 HydrophobicContact CE1-CG1 4.17Å; F181-V193 HydrophobicContact CE1-CG2 4.12Å; A182-V193 HydrophobicContact CB-CB 3.84Å; A182-V193 HydrophobicContact CB-CG1 4.31Å; A182-V193 WeakPolarHBondContact CB-O 3.23Å; A185-V193 HydrophobicContact CB-CG2 3.99Å; V191-V193 HydrophobicContact CG1-CG2 4.15Å; V193-P195 WeakPolarHBondContact O-CD 3.5Å
194	E	97.2	Very high	96	Very high	61 Å²	61	55.5 Å²	55.5	29%	0.285	28%	0.278	S	S	.	.			trans	-98.6	113.6	173.7	-164.2	-171.9	149.8	0	0	110.7	C119 Q120 K197	C119-E194 CarbonylContact C-O 3.56Å; C119-E194 VanDerWaalsContact CA-O 3.29Å; C119-E194 WeakPolarHBondContact CA-O 3.46Å; C119-E194 WeakPolarHBondContact CB-O 3.47Å; Q120-E194 HydrophobicContact CB-CB 4.49Å; Q120-E194 HydrophobicContact CG-CB 4.4Å; Q120-E194 PolarHBondContact N-O 3.49Å; Q120-E194 PolarHBondContact NE2-OE1 2.87Å; Q120-E194 PolarHBondContact NE2-OE2 3.05Å; E194-K197 WeakPolarHBondContact OE1-CE 3.28Å; E194-K197 IonicContact OE1-NZ 2.77Å; E194-K197 PolarHBondContact OE1-NZ 3.03Å
195	P	96.1	Very high	95.8	Very high	33 Å²	33	53.1 Å²	53.1	21%	0.214	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-60.6	149.5	175.4	-24.6	35.4	0	0	0	113.1	A178 A179 A182 V193 K197	A178-P195 HydrophobicContact CB-CB 4.06Å; A179-P195 HydrophobicContact CB-CG 4.14Å; A182-P195 HydrophobicContact CB-CG 4.13Å; V193-P195 WeakPolarHBondContact O-CD 3.5Å; P195-K197 PolarHBondContact O-N 3.31Å
196	H	92.7	Very high	95.7	Very high	41 Å²	41	56.7 Å²	56.7	19%	0.19	28%	0.281	C	S	.	.			trans	-73.1	122.4	-177.5	-161.2	84.3	0	0	0	111.5	L118 K198 L200	L118-H196 WeakPolarHBondContact O-CB 3.13Å; L118-H196 PolarHBondContact O-N 3.02Å; H196-K198 WeakPolarHBondContact NE2-CB 3.32Å; H196-L200 HydrophobicContact CB-CD2 4.25Å
197	K	90.9	Very high	95.3	Very high	156 Å²	156	60 Å²	60	68%	0.678	29%	0.291	S	S	*	.			trans	-89	-24.5	-172.3	-69.2	167.5	178.2	162.1	0	114.6	E194 P195	E194-K197 WeakPolarHBondContact OE1-CE 3.28Å; E194-K197 IonicContact OE1-NZ 2.77Å; E194-K197 PolarHBondContact OE1-NZ 3.03Å; P195-K197 PolarHBondContact O-N 3.31Å
198	K	92.6	Very high	94.9	Very high	158 Å²	158	56.6 Å²	56.6	69%	0.687	27%	0.265	S	S	*	.	S	Bend	trans	-78.3	174.6	-178.6	-53.6	-178.8	178.8	177.4	0	111.3	K175 H196 L200	K175-K198 WeakPolarHBondContact CE-O 3.29Å; H196-K198 WeakPolarHBondContact NE2-CB 3.32Å; K198-L200 PolarHBondContact O-N 3.08Å
199	Q	94.4	Very high	94.4	Very high	62 Å²	62	57.7 Å²	57.7	29%	0.29	27%	0.274	S	S	.	.			trans	-62.3	128.4	175	-164.6	66.3	2.7	0	0	110.9	F165 V166 H201	F165-Q199 HydrophobicContact CD1-CB 4.07Å; F165-Q199 HydrophobicContact CD1-CG 3.61Å; F165-Q199 HydrophobicContact CE1-CB 4.19Å; F165-Q199 HydrophobicContact CE1-CG 4.24Å; V166-Q199 PolarHBondContact O-NE2 2.97Å; Q199-H201 PolarHBondContact O-ND1 3.09Å
200	L	97.4	Very high	94.1	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.016	30%	0.301	C	S	.	.			trans	-73.3	137.2	180	-61.1	-174.3	0	0	0	110.5	I116 T117 L118 V166 A171 L174 K175 H196 K198	I116-L200 HydrophobicContact CG2-CB 3.81Å; I116-L200 HydrophobicContact CG2-CD1 4.39Å; I116-L200 HydrophobicContact CG2-CD2 4.22Å; I116-L200 HydrophobicContact CG2-CG 4.37Å; T117-L200 WeakPolarHBondContact O-CD2 3.37Å; L118-L200 HydrophobicContact CD2-CD1 4.17Å; V166-L200 HydrophobicContact CB-CB 4.24Å; V166-L200 HydrophobicContact CG2-CB 3.94Å; V166-L200 PolarHBondContact N-O 3.23Å; A171-L200 HydrophobicContact CB-CB 4.39Å; A171-L200 HydrophobicContact CB-CD1 4.46Å; A171-L200 HydrophobicContact CB-CG 4.38Å; L174-L200 HydrophobicContact CB-CD1 3.5Å; L174-L200 HydrophobicContact CD1-CD1 4.07Å; L174-L200 HydrophobicContact CG-CD1 4.43Å; K175-L200 HydrophobicContact CG-CD1 4.26Å; K175-L200 HydrophobicContact CG-CG 4.48Å; H196-L200 HydrophobicContact CB-CD2 4.25Å; K198-L200 PolarHBondContact O-N 3.08Å
201	H	96.8	Very high	93.9	Very high	48 Å²	48	59 Å²	59	22%	0.222	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	156.6	-177	57.5	-84.2	0	0	0	111.9	F161 L164 F165 Q199 T203	F161-H201 AromaticContact CZ-CD2 3.68Å; F161-H201 AromaticContact CZ-NE2 3.97Å; L164-H201 CarbonylContact O-C 3.52Å; L164-H201 WeakPolarHBondContact O-CA 3.08Å; L164-H201 WeakPolarHBondContact O-CB 3.01Å; F165-H201 HydrophobicContact CB-CB 4.5Å; F165-H201 HydrophobicContact CD1-CB 3.67Å; F165-H201 HydrophobicContact CD2-CB 4.32Å; F165-H201 HydrophobicContact CE1-CB 3.86Å; F165-H201 AromaticContact CE1-CG 3.94Å; F165-H201 AromaticContact CE1-ND1 3.85Å; F165-H201 HydrophobicContact CE2-CB 4.48Å; F165-H201 HydrophobicContact CG-CB 3.94Å; F165-H201 HydrophobicContact CZ-CB 4.27Å; Q199-H201 PolarHBondContact O-ND1 3.09Å; H201-T203 PolarHBondContact CD2-OG1 2.76Å; H201-T203 VanDerWaalsContact CD2-OG1 3.29Å; H201-T203 PolarHBondContact NE2-OG1 2.86Å
202	V	96.2	Very high	93.7	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	116.4	162.1	-178.3	0	0	0	0	108.4	L93 P114 H115 I116 G163 L164 W231	L93-V202 HydrophobicContact CD1-CG1 4.42Å; L93-V202 HydrophobicContact CD2-CG1 4.34Å; P114-V202 HydrophobicContact CB-CG1 4.06Å; H115-V202 WeakPolarHBondContact O-CA 3.46Å; I116-V202 HydrophobicContact CD1-CG2 4.32Å; I116-V202 HydrophobicContact CG1-CG2 3.64Å; G163-V202 CarbonylContact C-O 3.46Å; G163-V202 WeakPolarHBondContact CA-O 3.25Å; L164-V202 HydrophobicContact CB-CB 4.28Å; L164-V202 PolarHBondContact N-O 2.69Å; L164-V202 PolarHBondContact O-N 2.94Å; V202-W231 HydrophobicContact CG2-CH2 4.08Å; V202-W231 HydrophobicContact CG2-CZ3 4.47Å
203	T	96.3	Very high	93.5	Very high	30 Å²	30	56 Å²	56	18%	0.184	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	125.5	172.2	-66.2	0	0	0	0	109.6	A109 F161 H201 Y206	A109-T203 HydrophobicContact CB-CG2 3.97Å; F161-T203 HydrophobicContact CE2-CG2 3.92Å; F161-T203 HydrophobicContact CZ-CG2 4.43Å; H201-T203 PolarHBondContact CD2-OG1 2.76Å; H201-T203 VanDerWaalsContact CD2-OG1 3.29Å; H201-T203 PolarHBondContact NE2-OG1 2.86Å; T203-Y206 HydrophobicContact CG2-CD1 3.48Å; T203-Y206 VanDerWaalsContact CG2-CD1 3.48Å; T203-Y206 HydrophobicContact CG2-CE1 3.89Å; T203-Y206 HydrophobicContact CG2-CG 4.39Å
204	M	95.8	Very high	93.5	Very high	2 Å²	2	59.8 Å²	59.8	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	-43.8	179.8	-67.7	171.5	52.2	0	0	112.4	L93 F96 A109 I162 L164 A220 I223	L93-M204 HydrophobicContact CD2-CG 4.09Å; L93-M204 HydrophobicContact CD2-SD 4.27Å; F96-M204 HydrophobicContact CD1-CB 4.3Å; F96-M204 HydrophobicContact CD1-CE 3.86Å; F96-M204 HydrophobicContact CD2-CE 3.55Å; F96-M204 HydrophobicContact CE1-CB 3.75Å; F96-M204 HydrophobicContact CE1-CE 3.85Å; F96-M204 WeakPolarHBondContact CE1-O 3.4Å; F96-M204 HydrophobicContact CE2-CE 3.52Å; F96-M204 HydrophobicContact CG-CE 3.75Å; F96-M204 HydrophobicContact CZ-CB 4.14Å; F96-M204 HydrophobicContact CZ-CE 3.68Å; A109-M204 VanDerWaalsContact CB-O 3.26Å; A109-M204 WeakPolarHBondContact CB-O 3.39Å; I162-M204 HydrophobicContact CG2-CB 4.27Å; I162-M204 HydrophobicContact CG2-CE 4.22Å; I162-M204 HydrophobicContact CG2-SD 4.36Å; I162-M204 WeakPolarHBondContact O-CB 3Å; I162-M204 PolarHBondContact O-N 2.9Å; L164-M204 HydrophobicContact CD1-SD 4.31Å; L164-M204 HydrophobicContact CD2-SD 3.9Å; L164-M204 HydrophobicContact CG-SD 3.7Å; M204-A220 HydrophobicContact CE-CB 3.68Å; M204-I223 HydrophobicContact CE-CD1 3.37Å; M204-I223 HydrophobicContact SD-CD1 4.16Å
205	A	95.5	Very high	93.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	136.2	175.3	0	0	0	0	0	110.4	F96 F161 I162 F208 L216	F96-A205 HydrophobicContact CZ-CB 4.37Å; F161-A205 CarbonylContact C-O 3.59Å; F161-A205 WeakPolarHBondContact CA-O 3.04Å; I162-A205 HydrophobicContact CB-CB 4.33Å; I162-A205 PolarHBondContact N-O 2.89Å; I162-A205 PolarHBondContact O-N 3.41Å; I162-A205 VanDerWaalsContact O-N 3.07Å; A205-F208 HydrophobicContact CB-CD1 3.73Å; A205-F208 HydrophobicContact CB-CE1 3.89Å; A205-F208 WeakPolarHBondContact O-CE1 3.49Å; A205-L216 HydrophobicContact CB-CD1 4.3Å
206	Y	95.2	Very high	93.3	Very high	75 Å²	75	58.2 Å²	58.2	29%	0.294	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	161	169	75.3	-71.1	0	0	0	110.9	K108 A109 S160 T203 F208	K108-Y206 VanDerWaalsContact C-CE1 3.43Å; K108-Y206 HydrophobicContact CB-CD1 4.07Å; K108-Y206 HydrophobicContact CB-CD2 4.17Å; K108-Y206 HydrophobicContact CB-CE1 3.62Å; K108-Y206 HydrophobicContact CB-CE2 3.73Å; K108-Y206 HydrophobicContact CB-CG 4.33Å; K108-Y206 VanDerWaalsContact CB-CZ 3.44Å; K108-Y206 HydrophobicContact CD-CE2 4.45Å; K108-Y206 HydrophobicContact CG-CE2 4.46Å; K108-Y206 PolarHBondContact N-O 3Å; A109-Y206 HydrophobicContact CB-CD1 3.98Å; A109-Y206 HydrophobicContact CB-CE1 4.24Å; A109-Y206 VanDerWaalsContact N-CE1 3.33Å; S160-Y206 WeakPolarHBondContact O-CA 3.28Å; T203-Y206 HydrophobicContact CG2-CD1 3.48Å; T203-Y206 VanDerWaalsContact CG2-CD1 3.48Å; T203-Y206 HydrophobicContact CG2-CE1 3.89Å; T203-Y206 HydrophobicContact CG2-CG 4.39Å; Y206-F208 PolarHBondContact O-N 3.36Å
207	H	89.1	Confident	93.5	Very high	137 Å²	137	59.3 Å²	59.3	63%	0.634	31%	0.308	S	S	*	.	S	Bend	trans	54.1	37.6	-172.4	-63.4	-167.9	0	0	0	112.8	K108 S160	K108-H207 HydrophobicContact CB-CB 4.2Å; K108-H207 HydrophobicContact CG-CB 4.13Å; S160-H207 PolarHBondContact O-N 2.78Å
208	F	89.3	Confident	93.7	Very high	24 Å²	24	59.7 Å²	59.7	11%	0.105	31%	0.309	C	S	.	.			trans	-89.7	161.7	171.1	51.5	-97.8	0	0	0	111	N107 I162 A205 Y206 L213 L216	N107-F208 HydrophobicContact CB-CB 4.2Å; I162-F208 HydrophobicContact CD1-CE1 4.24Å; I162-F208 HydrophobicContact CD1-CZ 4.08Å; I162-F208 HydrophobicContact CG1-CE1 4.18Å; I162-F208 HydrophobicContact CG1-CZ 4.1Å; A205-F208 HydrophobicContact CB-CD1 3.73Å; A205-F208 HydrophobicContact CB-CE1 3.89Å; A205-F208 WeakPolarHBondContact O-CE1 3.49Å; Y206-F208 PolarHBondContact O-N 3.36Å; F208-L213 HydrophobicContact CE2-CB 4.22Å; F208-L213 HydrophobicContact CE2-CD1 3.99Å; F208-L213 HydrophobicContact CZ-CD1 4.12Å; F208-L216 HydrophobicContact CB-CD1 3.85Å; F208-L216 HydrophobicContact CD1-CD1 3.76Å; F208-L216 HydrophobicContact CD2-CD1 3.66Å; F208-L216 HydrophobicContact CE1-CD1 4.21Å; F208-L216 HydrophobicContact CE2-CD1 4.13Å; F208-L216 HydrophobicContact CG-CD1 3.47Å; F208-L216 VanDerWaalsContact CG-CD1 3.47Å; F208-L216 HydrophobicContact CZ-CD1 4.38Å
209	N	86.4	Confident	93.8	Very high	99 Å²	99	53.6 Å²	53.6	53%	0.529	28%	0.284	S	S	.	.			trans	-68.1	136.8	173.5	-169.2	-43.8	0	0	0	110.2	S211 H212	N209-S211 PolarHBondContact O-N 3.32Å; N209-S211 VanDerWaalsContact O-N 3.11Å; N209-S211 PolarHBondContact OD1-N 3.16Å; N209-S211 PolarHBondContact OD1-OG 3.24Å; N209-S211 VanDerWaalsContact OD1-OG 3.05Å; N209-H212 VanDerWaalsContact O-CB 3.3Å; N209-H212 WeakPolarHBondContact O-CB 2.93Å; N209-H212 PolarHBondContact O-N 2.93Å
210	A	88.5	Confident	93.9	Very high	71 Å²	71	50.7 Å²	50.7	59%	0.587	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-55.9	-29	179.7	0	0	0	0	0	113.6	H212 L213	A210-H212 PolarHBondContact O-N 3.39Å; A210-L213 WeakPolarHBondContact O-CB 3.41Å; A210-L213 PolarHBondContact O-N 3.21Å
211	S	90.8	Very high	93.8	Very high	81 Å²	81	56.7 Å²	56.7	57%	0.566	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-64.1	-22.9	173.8	60.7	0	0	0	0	113.8	N209 P214	N209-S211 PolarHBondContact O-N 3.32Å; N209-S211 VanDerWaalsContact O-N 3.11Å; N209-S211 PolarHBondContact OD1-N 3.16Å; N209-S211 PolarHBondContact OD1-OG 3.24Å; N209-S211 VanDerWaalsContact OD1-OG 3.05Å; S211-P214 WeakPolarHBondContact O-CD 3.37Å
212	H	91.8	Very high	93.6	Very high	53 Å²	53	58.3 Å²	58.3	25%	0.245	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-83.4	-14.1	-179.8	-57.5	174.7	0	0	0	112.4	C104 N209 A210 V215 L216	C104-H212 HydrophobicContact CB-CB 3.97Å; C104-H212 PolarHBondContact O-CE1 3.33Å; C104-H212 PolarHBondContact O-ND1 3Å; C104-H212 VanDerWaalsContact O-ND1 3.09Å; N209-H212 VanDerWaalsContact O-CB 3.3Å; N209-H212 WeakPolarHBondContact O-CB 2.93Å; N209-H212 PolarHBondContact O-N 2.93Å; A210-H212 PolarHBondContact O-N 3.39Å; H212-V215 PolarHBondContact O-N 3.16Å; H212-V215 VanDerWaalsContact O-N 3.14Å; H212-L216 HydrophobicContact CB-CD1 4.05Å; H212-L216 HydrophobicContact CB-CG 4.41Å; H212-L216 WeakPolarHBondContact O-CG 3.26Å; H212-L216 PolarHBondContact O-N 2.94Å
213	L	94.1	Very high	93.4	Very high	37 Å²	37	59.2 Å²	59.2	19%	0.194	32%	0.318	C	S	.	.	H	α-helix	trans	-52.8	-47	-175.8	179	64.7	0	0	0	113.6	I157 S158 I162 F208 A210 V215 L216 E217	I157-L213 HydrophobicContact CG2-CD1 4.05Å; S158-L213 WeakPolarHBondContact O-CD1 3.2Å; I162-L213 HydrophobicContact CD1-CD1 4.29Å; F208-L213 HydrophobicContact CE2-CB 4.22Å; F208-L213 HydrophobicContact CE2-CD1 3.99Å; F208-L213 HydrophobicContact CZ-CD1 4.12Å; A210-L213 WeakPolarHBondContact O-CB 3.41Å; A210-L213 PolarHBondContact O-N 3.21Å; L213-V215 VanDerWaalsContact C-N 3.27Å; L213-V215 PolarHBondContact O-N 3.36Å; L213-L216 PolarHBondContact O-N 3.17Å; L213-E217 WeakPolarHBondContact O-CB 3.23Å; L213-E217 PolarHBondContact O-N 2.95Å
214	P	95.6	Very high	93.1	Very high	84 Å²	84	63.1 Å²	63.1	55%	0.545	33%	0.334	S	S	.	.	H	α-helix	trans	-64.2	-31.6	-178.2	-22	34.9	0	0	0	113.4	S211 K218	S211-P214 WeakPolarHBondContact O-CD 3.37Å; P214-K218 WeakPolarHBondContact O-CB 3.37Å; P214-K218 PolarHBondContact O-N 2.96Å
215	V	94.8	Very high	92.6	Very high	62 Å²	62	64.8 Å²	64.8	38%	0.376	34%	0.344	S	S	.	.	H	α-helix	trans	-73.3	-48.3	177	-179	0	0	0	0	110	H212 L213 E217 K218 L219	H212-V215 PolarHBondContact O-N 3.16Å; H212-V215 VanDerWaalsContact O-N 3.14Å; L213-V215 VanDerWaalsContact C-N 3.27Å; L213-V215 PolarHBondContact O-N 3.36Å; V215-E217 PolarHBondContact O-N 2.99Å; V215-K218 PolarHBondContact O-N 2.68Å; V215-L219 HydrophobicContact CG1-CD1 4.21Å; V215-L219 WeakPolarHBondContact O-CG 3.12Å; V215-L219 PolarHBondContact O-N 2.66Å
216	L	95.2	Very high	91.9	Very high	0 Å²	0	69.3 Å²	69.3	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-65.2	-38.7	179.2	-63.5	171.8	0	0	0	112	F96 S100 C104 I162 A205 F208 H212 L213 L219 A220	F96-L216 HydrophobicContact CZ-CD2 4.32Å; S100-L216 VanDerWaalsContact CB-CD2 3.47Å; C104-L216 HydrophobicContact CB-CD2 4.25Å; I162-L216 HydrophobicContact CD1-CB 3.52Å; A205-L216 HydrophobicContact CB-CD1 4.3Å; F208-L216 HydrophobicContact CB-CD1 3.85Å; F208-L216 HydrophobicContact CD1-CD1 3.76Å; F208-L216 HydrophobicContact CD2-CD1 3.66Å; F208-L216 HydrophobicContact CE1-CD1 4.21Å; F208-L216 HydrophobicContact CE2-CD1 4.13Å; F208-L216 HydrophobicContact CG-CD1 3.47Å; F208-L216 VanDerWaalsContact CG-CD1 3.47Å; F208-L216 HydrophobicContact CZ-CD1 4.38Å; H212-L216 HydrophobicContact CB-CD1 4.05Å; H212-L216 HydrophobicContact CB-CG 4.41Å; H212-L216 WeakPolarHBondContact O-CG 3.26Å; H212-L216 PolarHBondContact O-N 2.94Å; L213-L216 PolarHBondContact O-N 3.17Å; L216-L219 PolarHBondContact O-N 3.29Å; L216-A220 VanDerWaalsContact O-CB 3.28Å; L216-A220 WeakPolarHBondContact O-CB 3.36Å; L216-A220 PolarHBondContact O-N 3.15Å
217	E	96.2	Very high	90.9	Very high	63 Å²	63	66.5 Å²	66.5	29%	0.294	36%	0.364	S	S	.	.	H	α-helix	trans	-62.2	-44.7	174.3	171.9	171.2	-167.5	0	0	111.6	I157 L213 V215 A220 K221	I157-E217 HydrophobicContact CD1-CB 4.19Å; I157-E217 HydrophobicContact CD1-CG 3.79Å; L213-E217 WeakPolarHBondContact O-CB 3.23Å; L213-E217 PolarHBondContact O-N 2.95Å; V215-E217 PolarHBondContact O-N 2.99Å; E217-A220 PolarHBondContact O-N 3.35Å; E217-K221 HydrophobicContact CG-CD 4.13Å; E217-K221 WeakPolarHBondContact O-CB 3.49Å; E217-K221 WeakPolarHBondContact O-CG 3.08Å; E217-K221 PolarHBondContact O-N 3.44Å; E217-K221 VanDerWaalsContact OE1-CE 3.27Å; E217-K221 WeakPolarHBondContact OE1-CE 3.47Å; E217-K221 IonicContact OE1-NZ 3.54Å; E217-K221 PolarHBondContact OE1-NZ 3.11Å
218	K	96.1	Very high	90	Very high	164 Å²	164	61.9 Å²	61.9	71%	0.713	35%	0.354	S	S	*	.	H	α-helix	trans	-61.5	-44.2	175.8	-176.4	-176.1	177	-173.9	0	111.8	P214 V215 S222	P214-K218 WeakPolarHBondContact O-CB 3.37Å; P214-K218 PolarHBondContact O-N 2.96Å; V215-K218 PolarHBondContact O-N 2.68Å; K218-S222 PolarHBondContact O-N 2.77Å
219	L	95.2	Very high	89.7	Confident	31 Å²	31	61.2 Å²	61.2	16%	0.162	35%	0.352	C	S	.	.	H	α-helix	trans	-67.1	-38.2	177.2	-69.5	172	0	0	0	112	F96 Q99 V215 L216 S222	F96-L219 HydrophobicContact CD2-CB 3.62Å; F96-L219 HydrophobicContact CE2-CB 3.72Å; Q99-L219 HydrophobicContact CB-CD1 4.03Å; Q99-L219 HydrophobicContact CB-CD2 4.03Å; V215-L219 HydrophobicContact CG1-CD1 4.21Å; V215-L219 WeakPolarHBondContact O-CG 3.12Å; V215-L219 PolarHBondContact O-N 2.66Å; L216-L219 PolarHBondContact O-N 3.29Å; L219-S222 PolarHBondContact O-N 2.92Å; L219-S222 PolarHBondContact O-OG 2.9Å
220	A	95.4	Very high	89.8	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-69.3	-39.5	-179.9	0	0	0	0	0	111.8	F96 L155 I157 I162 M204 L216 E217 S222 I223	F96-A220 HydrophobicContact CD2-CB 4.46Å; F96-A220 HydrophobicContact CE2-CB 3.9Å; L155-A220 HydrophobicContact CD1-CB 4.03Å; L155-A220 HydrophobicContact CD2-CB 4.35Å; I157-A220 HydrophobicContact CD1-CB 4.38Å; I162-A220 HydrophobicContact CG2-CB 3.76Å; M204-A220 HydrophobicContact CE-CB 3.68Å; L216-A220 VanDerWaalsContact O-CB 3.28Å; L216-A220 WeakPolarHBondContact O-CB 3.36Å; L216-A220 PolarHBondContact O-N 3.15Å; E217-A220 PolarHBondContact O-N 3.35Å; A220-S222 PolarHBondContact O-N 2.88Å; A220-I223 PolarHBondContact O-N 3.29Å
221	K	95.1	Very high	89.9	Confident	130 Å²	130	54.2 Å²	54.2	57%	0.565	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-11.7	176.1	-72.4	177.6	-176.5	175.1	0	114.5	L155 I157 E217	L155-K221 HydrophobicContact CD2-CG 4Å; I157-K221 HydrophobicContact CD1-CG 4.46Å; E217-K221 HydrophobicContact CG-CD 4.13Å; E217-K221 WeakPolarHBondContact O-CB 3.49Å; E217-K221 WeakPolarHBondContact O-CG 3.08Å; E217-K221 PolarHBondContact O-N 3.44Å; E217-K221 VanDerWaalsContact OE1-CE 3.27Å; E217-K221 WeakPolarHBondContact OE1-CE 3.47Å; E217-K221 IonicContact OE1-NZ 3.54Å; E217-K221 PolarHBondContact OE1-NZ 3.11Å
222	S	93.4	Very high	90.1	Very high	81 Å²	81	51.8 Å²	51.8	57%	0.566	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	0.4	173.1	66.3	0	0	0	0	114	K218 L219 A220	K218-S222 PolarHBondContact O-N 2.77Å; L219-S222 PolarHBondContact O-N 2.92Å; L219-S222 PolarHBondContact O-OG 2.9Å; A220-S222 PolarHBondContact O-N 2.88Å
223	I	92.4	Very high	90.3	Very high	19 Å²	19	49.3 Å²	49.3	10%	0.097	27%	0.273	C	S	.	.			trans	-84.8	121.3	175.6	-56.4	-173.7	0	0	0	109.5	L89 Q92 L93 F96 M204 A220 V225	L89-I223 HydrophobicContact CD1-CG2 3.92Å; Q92-I223 HydrophobicContact CB-CG2 4.2Å; L93-I223 HydrophobicContact CD2-CD1 3.94Å; F96-I223 HydrophobicContact CB-CD1 3.86Å; F96-I223 HydrophobicContact CD2-CD1 4.24Å; F96-I223 HydrophobicContact CG-CD1 4.13Å; M204-I223 HydrophobicContact CE-CD1 3.37Å; M204-I223 HydrophobicContact SD-CD1 4.16Å; A220-I223 PolarHBondContact O-N 3.29Å; I223-V225 HydrophobicContact CG2-CG1 4.32Å; I223-V225 PolarHBondContact O-N 3.2Å
224	E	89.2	Confident	90.5	Very high	113 Å²	113	47.7 Å²	47.7	53%	0.528	27%	0.265	S	S	.	.			trans	-86.1	86.9	175	-172.7	-177.8	-176.6	0	0	109.7	T226 A227	E224-T226 VanDerWaalsContact CG-OG1 3.29Å; E224-T226 WeakPolarHBondContact CG-OG1 3.43Å; E224-T226 PolarHBondContact O-N 2.88Å; E224-T226 VanDerWaalsContact O-N 3.13Å; E224-A227 HydrophobicContact CG-CB 4.42Å; E224-A227 WeakPolarHBondContact O-CB 3.46Å; E224-A227 PolarHBondContact O-N 3.17Å
225	V	85	Confident	90.6	Very high	36 Å²	36	43.7 Å²	43.7	22%	0.218	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-18.9	179.9	-61	0	0	0	0	114.2	L153 L164 I223 A227	L153-V225 HydrophobicContact CB-CB 4.19Å; L153-V225 HydrophobicContact CB-CG1 4.44Å; L164-V225 HydrophobicContact CD1-CG1 3.83Å; L164-V225 HydrophobicContact CD2-CG1 3.81Å; L164-V225 HydrophobicContact CG-CG1 4.42Å; I223-V225 HydrophobicContact CG2-CG1 4.32Å; I223-V225 PolarHBondContact O-N 3.2Å; V225-A227 VanDerWaalsContact C-N 3.27Å; V225-A227 PolarHBondContact O-N 2.82Å
226	T	81.9	Confident	90.7	Very high	96 Å²	96	41 Å²	41	59%	0.589	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-10.5	173.8	43.8	0	0	0	0	113.6	E224 G228	E224-T226 VanDerWaalsContact CG-OG1 3.29Å; E224-T226 WeakPolarHBondContact CG-OG1 3.43Å; E224-T226 PolarHBondContact O-N 2.88Å; E224-T226 VanDerWaalsContact O-N 3.13Å; T226-G228 PolarHBondContact O-N 3.37Å
227	A	72.8	Confident	90.8	Very high	15 Å²	15	41 Å²	41	12%	0.124	22%	0.223	C	C	.	.	S	Bend	trans	-67	102.7	173.4	0	0	0	0	0	109.9	P88 E224 V225 C229	P88-A227 HydrophobicContact CB-CB 4.17Å; E224-A227 HydrophobicContact CG-CB 4.42Å; E224-A227 WeakPolarHBondContact O-CB 3.46Å; E224-A227 PolarHBondContact O-N 3.17Å; V225-A227 VanDerWaalsContact C-N 3.27Å; V225-A227 PolarHBondContact O-N 2.82Å; A227-C229 PolarHBondContact O-N 3.47Å
228	G	70.8	Confident	90.7	Very high	41 Å²	41	39.6 Å²	39.6	42%	0.423	22%	0.215	S	C	.	.			trans	-52.6	135.3	-176.7	0	0	0	0	0	113	T226	T226-G228 PolarHBondContact O-N 3.37Å
229	C	84.2	Confident	90.5	Very high	9 Å²	9	33 Å²	33	6%	0.061	19%	0.187	C	C	.	.			trans	-139.1	149.3	179.9	57	0	0	0	0	110.7	S86 L89 A227 W231	S86-C229 WeakPolarHBondContact O-CB 3.47Å; L89-C229 HydrophobicContact CB-CB 3.79Å; L89-C229 WeakPolarHBondContact CD2-SG 3.38Å; A227-C229 PolarHBondContact O-N 3.47Å; C229-W231 PolarHBondContact SG-NE1 3.08Å; C229-W231 VanDerWaalsContact SG-NE1 3.42Å
230	D	87.9	Confident	90.2	Very high	22 Å²	22	34.1 Å²	34.1	12%	0.118	19%	0.193	C	C	.	.			trans	-81.3	146.3	164.8	178.9	35.1	0	0	0	110.1	S86 M149 L232 S319 L321	S86-D230 WeakPolarHBondContact CB-O 3.26Å; S86-D230 PolarHBondContact N-O 3.25Å; S86-D230 WeakPolarHBondContact OG-CB 3.28Å; S86-D230 PolarHBondContact OG-N 3.48Å; S86-D230 PolarHBondContact OG-O 2.97Å; M149-D230 HydrophobicContact CE-CB 4.16Å; M149-D230 WeakPolarHBondContact CE-OD1 3.34Å; D230-L232 WeakPolarHBondContact OD2-CD2 3.43Å; D230-S319 PolarHBondContact OD1-OG 3.01Å; D230-S319 WeakPolarHBondContact OD2-CB 3.29Å; D230-S319 PolarHBondContact OD2-OG 3.05Å; D230-L321 HydrophobicContact CB-CD1 3.69Å; D230-L321 HydrophobicContact CB-CG 4.03Å
231	W	91	Very high	89.8	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	127.1	178.5	-69.7	87.7	0	0	0	108.8	L83 P85 L89 I116 L151 L153 V202 C229 F320	L83-W231 HydrophobicContact CB-CE3 3.86Å; L83-W231 HydrophobicContact CB-CZ3 4.43Å; P85-W231 HydrophobicContact CB-CE3 4.11Å; P85-W231 HydrophobicContact CB-CH2 3.89Å; P85-W231 HydrophobicContact CB-CZ2 4.25Å; P85-W231 HydrophobicContact CB-CZ3 3.8Å; P85-W231 HydrophobicContact CG-CH2 4.32Å; P85-W231 HydrophobicContact CG-CZ3 4.1Å; L89-W231 HydrophobicContact CD2-CH2 4.47Å; L89-W231 HydrophobicContact CD2-CZ2 4.06Å; I116-W231 HydrophobicContact CD1-CE3 4.23Å; I116-W231 HydrophobicContact CD1-CH2 3.72Å; I116-W231 HydrophobicContact CD1-CZ2 4.5Å; I116-W231 HydrophobicContact CD1-CZ3 3.56Å; I116-W231 HydrophobicContact CG1-CH2 4.31Å; I116-W231 HydrophobicContact CG1-CZ3 3.96Å; L151-W231 HydrophobicContact CB-CZ2 4.24Å; L151-W231 HydrophobicContact CD2-CD2 4.3Å; L151-W231 HydrophobicContact CD2-CH2 4.25Å; L151-W231 HydrophobicContact CD2-CZ2 3.61Å; L153-W231 HydrophobicContact CD1-CH2 4.38Å; L153-W231 HydrophobicContact CD1-CZ2 4.06Å; V202-W231 HydrophobicContact CG2-CH2 4.08Å; V202-W231 HydrophobicContact CG2-CZ3 4.47Å; C229-W231 PolarHBondContact SG-NE1 3.08Å; C229-W231 VanDerWaalsContact SG-NE1 3.42Å; W231-F320 HydrophobicContact CB-CD2 4.45Å; W231-F320 VanDerWaalsContact O-CD2 3.25Å; W231-F320 WeakPolarHBondContact O-CD2 3.46Å
232	L	94.3	Very high	89.5	Confident	30 Å²	30	31.6 Å²	31.6	16%	0.157	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	123	179.2	-55.5	178.7	0	0	0	108.4	L83 R84 D230 V234 H318	L83-L232 CarbonylContact C-O 3.59Å; L83-L232 WeakPolarHBondContact CA-O 3.27Å; R84-L232 PolarHBondContact N-O 3.47Å; R84-L232 PolarHBondContact O-N 3.39Å; D230-L232 WeakPolarHBondContact OD2-CD2 3.43Å; L232-V234 HydrophobicContact CB-CG2 3.92Å; L232-V234 PolarHBondContact O-N 3.01Å; L232-H318 WeakPolarHBondContact CA-O 3.4Å
233	A	96.7	Very high	89.1	Confident	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	111.2	165.8	0	0	0	0	0	108.3	L81 L83 L136 V140 F177 S317 H318 F320	L81-A233 HydrophobicContact CD1-CB 4.4Å; L83-A233 HydrophobicContact CD2-CB 4.16Å; L136-A233 HydrophobicContact CD1-CB 4.25Å; V140-A233 HydrophobicContact CG2-CB 3.73Å; F177-A233 HydrophobicContact CE1-CB 4.32Å; F177-A233 HydrophobicContact CZ-CB 4.04Å; A233-S317 WeakPolarHBondContact O-CA 3.38Å; A233-H318 PolarHBondContact N-O 3.18Å; A233-H318 PolarHBondContact O-N 3.14Å; A233-F320 HydrophobicContact CB-CE2 3.95Å; A233-F320 HydrophobicContact CB-CZ 3.97Å
234	V	97.3	Very high	88.8	Confident	4 Å²	4	34.3 Å²	34.3	2%	0.024	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	121.2	-173.6	-168.3	0	0	0	0	110.1	Y82 R84 L232 L236 V314 G316	Y82-V234 PolarHBondContact N-O 3.19Å; Y82-V234 PolarHBondContact O-N 3.27Å; R84-V234 HydrophobicContact CB-CG2 3.97Å; L232-V234 HydrophobicContact CB-CG2 3.92Å; L232-V234 PolarHBondContact O-N 3.01Å; V234-L236 HydrophobicContact CB-CD1 4.02Å; V234-L236 HydrophobicContact CG1-CD1 3.67Å; V234-L236 HydrophobicContact CG1-CG 3.94Å; V234-V314 HydrophobicContact CG1-CG1 3.83Å; V234-V314 HydrophobicContact CG1-CG2 4.37Å; V234-G316 VanDerWaalsContact CA-O 3.3Å; V234-G316 WeakPolarHBondContact CA-O 3.46Å
235	L	97.9	Very high	88.8	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	118.2	170.4	-178	64.4	0	0	0	108.8	Y79 F122 L132 L136 H315 G316	Y79-L235 HydrophobicContact CD1-CD1 4.14Å; Y79-L235 HydrophobicContact CD1-CD2 4.42Å; Y79-L235 HydrophobicContact CD1-CG 4.21Å; F122-L235 HydrophobicContact CZ-CD1 4.05Å; L132-L235 HydrophobicContact CD2-CD2 3.93Å; L132-L235 HydrophobicContact CG-CD2 3.96Å; L136-L235 HydrophobicContact CD2-CB 3.81Å; L235-H315 HydrophobicContact CB-CB 4.39Å; L235-H315 HydrophobicContact CD2-CB 4Å; L235-H315 HydrophobicContact CG-CB 4.16Å; L235-H315 PolarHBondContact O-N 3.14Å; L235-G316 PolarHBondContact N-O 3.35Å
236	L	97.5	Very high	89.1	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.021	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	157.4	175.9	-59	103.2	0	0	0	110.9	Y79 V80 Y82 F113 V234 W312 V313 V314	Y79-L236 CarbonylContact C-O 3.53Å; Y79-L236 VanDerWaalsContact CA-O 3.27Å; Y79-L236 WeakPolarHBondContact CA-O 3.46Å; V80-L236 HydrophobicContact CG1-CB 4.48Å; V80-L236 PolarHBondContact N-O 3.21Å; V80-L236 PolarHBondContact O-N 2.96Å; Y82-L236 HydrophobicContact CD2-CD1 3.88Å; Y82-L236 HydrophobicContact CG-CD1 4.35Å; F113-L236 HydrophobicContact CE1-CD2 3.82Å; F113-L236 HydrophobicContact CZ-CD1 3.97Å; F113-L236 HydrophobicContact CZ-CD2 3.89Å; V234-L236 HydrophobicContact CB-CD1 4.02Å; V234-L236 HydrophobicContact CG1-CD1 3.67Å; V234-L236 HydrophobicContact CG1-CG 3.94Å; L236-W312 HydrophobicContact CB-CE3 3.91Å; L236-W312 HydrophobicContact CD2-CB 4.2Å; L236-W312 HydrophobicContact CD2-CE3 4.12Å; L236-V313 CarbonylContact C-O 3.56Å; L236-V313 VanDerWaalsContact CA-O 3.26Å; L236-V313 WeakPolarHBondContact CA-O 3.43Å; L236-V314 HydrophobicContact CD2-CG2 3.87Å; L236-V314 HydrophobicContact CG-CG2 4.27Å
237	S	96.5	Very high	89.7	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.014	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	148.3	169	83.9	0	0	0	0	114.4	R77 E78 Y79 V313 H315	R77-S237 PolarHBondContact NE-OG 3.26Å; R77-S237 PolarHBondContact NH2-O 3.36Å; E78-S237 CarbonylContact O-C 3.53Å; E78-S237 WeakPolarHBondContact O-CA 3.41Å; E78-S237 VanDerWaalsContact O-CB 3.27Å; E78-S237 WeakPolarHBondContact O-CB 3.3Å; Y79-S237 VanDerWaalsContact CD1-CB 3.47Å; Y79-S237 VanDerWaalsContact CE1-CB 3.44Å; S237-V313 PolarHBondContact N-O 3.16Å; S237-V313 PolarHBondContact O-N 2.81Å; S237-H315 PolarHBondContact OG-NE2 2.86Å
238	R	94.4	Very high	90.7	Very high	32 Å²	32	28 Å²	28	12%	0.121	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	158.5	173	63.5	-173.9	-178.5	155.7	10.7	110.6	E78 I240 A243 E308 W312	E78-R238 HydrophobicContact CB-CG 4.33Å; E78-R238 PolarHBondContact N-O 2.07Å; E78-R238 PolarHBondContact O-N 3.38Å; E78-R238 IonicContact OE1-NH2 2.66Å; E78-R238 IonicContact OE2-CZ 2.68Å; E78-R238 IonicContact OE2-NE 3.53Å; E78-R238 PolarHBondContact OE2-NE 2.83Å; E78-R238 IonicContact OE2-NH2 2.77Å; E78-R238 PolarHBondContact OE2-NH2 2.94Å; R238-I240 PolarHBondContact O-N 3.29Å; R238-A243 PolarHBondContact NH1-O 3.07Å; R238-E308 IonicContact CZ-OE1 3.64Å; R238-E308 IonicContact NH1-OE1 2.68Å; R238-E308 PolarHBondContact NH1-OE1 3.11Å; R238-W312 HydrophobicContact CB-CG 4.31Å
239	D	91.1	Very high	91.9	Very high	26 Å²	26	27.6 Å²	27.6	14%	0.139	14%	0.138	C	C	.	.			trans	-72.1	124.9	172	-172	-29.5	0	0	0	108.9	R241 F242 A243	D239-R241 PolarHBondContact O-N 3.29Å; D239-R241 VanDerWaalsContact OD1-CB 3.29Å; D239-R241 WeakPolarHBondContact OD1-CB 3.29Å; D239-R241 VanDerWaalsContact OD1-CG 3.3Å; D239-R241 WeakPolarHBondContact OD1-CG 3.32Å; D239-R241 PolarHBondContact OD1-N 3.07Å; D239-R241 IonicContact OD1-NE 3.56Å; D239-R241 PolarHBondContact OD1-NE 2.97Å; D239-R241 IonicContact OD2-CZ 3.15Å; D239-R241 VanDerWaalsContact OD2-CZ 3.27Å; D239-R241 IonicContact OD2-NE 2.84Å; D239-R241 PolarHBondContact OD2-NE 2.93Å; D239-R241 IonicContact OD2-NH2 2.69Å; D239-R241 PolarHBondContact OD2-NH2 3.36Å; D239-F242 HydrophobicContact CB-CD2 3.87Å; D239-F242 HydrophobicContact CB-CE2 4.34Å; D239-F242 PolarHBondContact O-N 3.37Å; D239-F242 VanDerWaalsContact O-N 3.16Å; D239-A243 PolarHBondContact O-N 3.01Å
240	I	89	Confident	92.5	Very high	55 Å²	55	27.3 Å²	27.3	28%	0.282	14%	0.135	S	C	.	.	G	3₁₀ helix	trans	-64.1	-26.9	-177.2	-171.7	59.7	0	0	0	112.4	L75 P76 E78 M123 R238 F242 A243	L75-I240 HydrophobicContact CB-CG2 4.43Å; P76-I240 VanDerWaalsContact O-CG2 3.23Å; P76-I240 WeakPolarHBondContact O-CG2 3.37Å; E78-I240 HydrophobicContact CB-CD1 4.11Å; E78-I240 HydrophobicContact CG-CD1 4.39Å; M123-I240 HydrophobicContact CE-CB 3.88Å; M123-I240 HydrophobicContact CE-CD1 4.22Å; M123-I240 HydrophobicContact CE-CG1 3.9Å; M123-I240 HydrophobicContact CE-CG2 4.23Å; M123-I240 HydrophobicContact SD-CD1 4.18Å; M123-I240 HydrophobicContact SD-CG1 4.47Å; R238-I240 PolarHBondContact O-N 3.29Å; I240-F242 PolarHBondContact O-N 2.66Å; I240-A243 HydrophobicContact CD1-CB 4.17Å; I240-A243 PolarHBondContact O-N 2.92Å
241	R	87.1	Confident	92.6	Very high	53 Å²	53	29.7 Å²	29.7	20%	0.2	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-54.6	-38.4	174.9	-65.6	-177.1	-70.6	176	-3.1	111.1	D68 L75 D239 H245	D68-R241 IonicContact OD1-NH1 2.71Å; D68-R241 PolarHBondContact OD1-NH1 2.94Å; D68-R241 IonicContact OD2-CZ 3.57Å; D68-R241 IonicContact OD2-NH1 2.69Å; D68-R241 PolarHBondContact OD2-NH1 2.89Å; D68-R241 IonicContact OD2-NH2 3.44Å; D68-R241 PolarHBondContact OD2-NH2 3.18Å; L75-R241 HydrophobicContact CD1-CG 3.9Å; D239-R241 PolarHBondContact O-N 3.29Å; D239-R241 VanDerWaalsContact OD1-CB 3.29Å; D239-R241 WeakPolarHBondContact OD1-CB 3.29Å; D239-R241 VanDerWaalsContact OD1-CG 3.3Å; D239-R241 WeakPolarHBondContact OD1-CG 3.32Å; D239-R241 PolarHBondContact OD1-N 3.07Å; D239-R241 IonicContact OD1-NE 3.56Å; D239-R241 PolarHBondContact OD1-NE 2.97Å; D239-R241 IonicContact OD2-CZ 3.15Å; D239-R241 VanDerWaalsContact OD2-CZ 3.27Å; D239-R241 IonicContact OD2-NE 2.84Å; D239-R241 PolarHBondContact OD2-NE 2.93Å; D239-R241 IonicContact OD2-NH2 2.69Å; D239-R241 PolarHBondContact OD2-NH2 3.36Å; R241-H245 PolarHBondContact O-CE1 2.85Å
242	F	90.3	Very high	92.5	Very high	23 Å²	23	35 Å²	35	10%	0.101	17%	0.168	C	C	.	.	G	3₁₀ helix	trans	-108	6.9	-169.2	-47.7	-55.3	0	0	0	114.2	D239 I240 N244 H245 F271 T288	D239-F242 HydrophobicContact CB-CD2 3.87Å; D239-F242 HydrophobicContact CB-CE2 4.34Å; D239-F242 PolarHBondContact O-N 3.37Å; D239-F242 VanDerWaalsContact O-N 3.16Å; I240-F242 PolarHBondContact O-N 2.66Å; F242-N244 PolarHBondContact O-N 2.98Å; F242-H245 HydrophobicContact CB-CB 4.29Å; F242-H245 AromaticContact CD1-CD2 3.87Å; F242-H245 AromaticContact CD1-NE2 3.88Å; F242-H245 WeakPolarHBondContact O-CB 3.42Å; F242-H245 PolarHBondContact O-N 2.87Å; F242-F271 HydrophobicContact CB-CB 3.84Å; F242-F271 HydrophobicContact CB-CD1 3.5Å; F242-F271 VanDerWaalsContact CB-CD1 3.5Å; F242-F271 HydrophobicContact CB-CD2 3.96Å; F242-F271 HydrophobicContact CB-CE1 3.95Å; F242-F271 HydrophobicContact CB-CE2 4.36Å; F242-F271 HydrophobicContact CB-CG 3.49Å; F242-F271 VanDerWaalsContact CB-CG 3.49Å; F242-F271 HydrophobicContact CB-CZ 4.36Å; F242-F271 HydrophobicContact CD1-CB 3.6Å; F242-F271 HydrophobicContact CD1-CD2 4.07Å; F242-F271 AromaticContact CD1-CG 3.93Å; F242-F271 HydrophobicContact CD1-CG 3.93Å; F242-F271 HydrophobicContact CD2-CB 4.35Å; F242-F271 HydrophobicContact CD2-CD1 4.38Å; F242-F271 AromaticContact CD2-CD2 3.29Å; F242-F271 HydrophobicContact CD2-CD2 3.29Å; F242-F271 AromaticContact CD2-CE2 3.49Å; F242-F271 HydrophobicContact CD2-CE2 3.49Å; F242-F271 VanDerWaalsContact CD2-CE2 3.49Å; F242-F271 AromaticContact CD2-CG 3.77Å; F242-F271 HydrophobicContact CD2-CG 3.77Å; F242-F271 HydrophobicContact CD2-CZ 4.12Å; F242-F271 HydrophobicContact CE1-CB 4.3Å; F242-F271 HydrophobicContact CE1-CD2 4.47Å; F242-F271 AromaticContact CE2-CD2 3.78Å; F242-F271 HydrophobicContact CE2-CD2 3.78Å; F242-F271 HydrophobicContact CE2-CE2 4.05Å; F242-F271 HydrophobicContact CG-CB 3.65Å; F242-F271 AromaticContact CG-CD1 3.99Å; F242-F271 HydrophobicContact CG-CD1 3.99Å; F242-F271 AromaticContact CG-CD2 3.48Å; F242-F271 HydrophobicContact CG-CD2 3.48Å; F242-F271 VanDerWaalsContact CG-CD2 3.48Å; F242-F271 HydrophobicContact CG-CE1 4.5Å; F242-F271 HydrophobicContact CG-CE2 4.05Å; F242-F271 AromaticContact CG-CG 3.43Å; F242-F271 HydrophobicContact CG-CG 3.43Å; F242-F271 VanDerWaalsContact CG-CG 3.43Å; F242-F271 HydrophobicContact CZ-CD2 4.35Å; F242-T288 HydrophobicContact CE1-CG2 4.01Å; F242-T288 HydrophobicContact CZ-CG2 3.63Å
243	A	84.4	Confident	92.4	Very high	12 Å²	12	37.3 Å²	37.3	10%	0.099	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-17.3	-176.8	0	0	0	0	0	116.1	R238 D239 I240	R238-A243 PolarHBondContact NH1-O 3.07Å; D239-A243 PolarHBondContact O-N 3.01Å; I240-A243 HydrophobicContact CD1-CB 4.17Å; I240-A243 PolarHBondContact O-N 2.92Å
244	N	85.2	Confident	92.1	Very high	145 Å²	145	38.7 Å²	38.7	78%	0.775	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121.1	11.8	177.5	-64	-59.6	0	0	0	113.8	F242	F242-N244 PolarHBondContact O-N 2.98Å
245	H	89.9	Confident	91.8	Very high	44 Å²	44	43 Å²	43	20%	0.204	22%	0.216	C	C	.	.	S	Bend	trans	-88.4	158	-178.9	-70.8	49.3	0	0	0	111.2	R241 F242 F271 M272 S273	R241-H245 PolarHBondContact O-CE1 2.85Å; F242-H245 HydrophobicContact CB-CB 4.29Å; F242-H245 AromaticContact CD1-CD2 3.87Å; F242-H245 AromaticContact CD1-NE2 3.88Å; F242-H245 WeakPolarHBondContact O-CB 3.42Å; F242-H245 PolarHBondContact O-N 2.87Å; H245-F271 HydrophobicContact CB-CB 4Å; H245-M272 CarbonylContact C-O 3.6Å; H245-M272 WeakPolarHBondContact CA-O 3.22Å; H245-M272 VanDerWaalsContact CB-O 3.29Å; H245-M272 WeakPolarHBondContact CB-O 3.36Å; H245-S273 PolarHBondContact CD2-N 2.92Å
246	E	91.1	Very high	91.2	Very high	66 Å²	66	45 Å²	45	31%	0.308	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.1	165.1	-67.7	-158.6	165.9	0	0	109.4	M272 R305	E246-M272 HydrophobicContact CB-CE 3.89Å; E246-M272 HydrophobicContact CG-CE 4.12Å; E246-M272 PolarHBondContact N-O 3.12Å; E246-M272 PolarHBondContact O-N 3.09Å; E246-R305 IonicContact OE1-CZ 3.51Å; E246-R305 IonicContact OE1-NH2 3.58Å; E246-R305 PolarHBondContact OE1-NH2 3.33Å; E246-R305 IonicContact OE2-CZ 2.59Å; E246-R305 VanDerWaalsContact OE2-CZ 3.22Å; E246-R305 IonicContact OE2-NE 2.69Å; E246-R305 PolarHBondContact OE2-NE 3.01Å; E246-R305 IonicContact OE2-NH2 3.52Å; E246-R305 PolarHBondContact OE2-NH2 2.92Å
247	T	94.3	Very high	90.2	Very high	12 Å²	12	50.8 Å²	50.8	7%	0.074	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	124.8	173	-45	0	0	0	0	110.3	F269 A306 T311	T247-F269 HydrophobicContact CG2-CD1 4.07Å; T247-A306 HydrophobicContact CG2-CB 3.86Å; T247-A306 PolarHBondContact O-N 3.43Å; T247-T311 HydrophobicContact CG2-CG2 3.46Å; T247-T311 VanDerWaalsContact CG2-CG2 3.46Å
248	L	95.1	Very high	89.5	Confident	7 Å²	7	55 Å²	55	4%	0.037	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	150.2	175.9	-50.5	176.5	0	0	0	109.3	F269 I270 M272 L285 V303 S304 R305	L248-F269 CarbonylContact O-C 3.6Å; L248-F269 VanDerWaalsContact O-CA 3.23Å; L248-F269 WeakPolarHBondContact O-CA 3.34Å; L248-I270 HydrophobicContact CB-CB 4.35Å; L248-I270 PolarHBondContact N-O 3.24Å; L248-I270 PolarHBondContact O-N 3.3Å; L248-M272 HydrophobicContact CD1-CB 3.77Å; L248-M272 HydrophobicContact CD1-CG 4.46Å; L248-M272 HydrophobicContact CG-CB 4.38Å; L248-L285 HydrophobicContact CD1-CD1 3.56Å; L248-V303 HydrophobicContact CB-CB 4.13Å; L248-V303 HydrophobicContact CB-CG2 4.43Å; L248-V303 HydrophobicContact CD1-CG2 3.95Å; L248-S304 CarbonylContact C-O 3.53Å; L248-S304 WeakPolarHBondContact CA-O 3.25Å; L248-R305 HydrophobicContact CD2-CG 3.82Å
249	Q	95.8	Very high	88.8	Confident	32 Å²	32	62.2 Å²	62.2	15%	0.15	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	135.5	171.9	-177.7	173.7	38.6	0	0	109.8	M251 D268 F269 V303 S304 A306	Q249-M251 PolarHBondContact O-N 3.2Å; Q249-D268 WeakPolarHBondContact CA-O 3.42Å; Q249-F269 HydrophobicContact CB-CD1 4.05Å; Q249-F269 HydrophobicContact CB-CE1 3.94Å; Q249-F269 HydrophobicContact CG-CD1 4.42Å; Q249-F269 HydrophobicContact CG-CE1 4.11Å; Q249-V303 CarbonylContact O-C 3.54Å; Q249-V303 WeakPolarHBondContact O-CA 3.37Å; Q249-S304 PolarHBondContact N-O 3.31Å; Q249-S304 PolarHBondContact O-N 2.99Å; Q249-A306 HydrophobicContact CB-CB 4.06Å
250	V	94.9	Very high	88.5	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.012	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	114.8	174.7	-179.6	0	0	0	0	110.1	Y252 L264 L265 G267 D268 I270 V303	V250-Y252 WeakPolarHBondContact CG1-O 3.17Å; V250-L264 HydrophobicContact CG1-CB 3.74Å; V250-L264 HydrophobicContact CG1-CD1 4.4Å; V250-L264 HydrophobicContact CG2-CB 4.12Å; V250-L264 HydrophobicContact CG2-CD2 4.15Å; V250-L265 VanDerWaalsContact CB-O 3.28Å; V250-L265 WeakPolarHBondContact CB-O 3.27Å; V250-L265 VanDerWaalsContact CG1-O 3.28Å; V250-L265 WeakPolarHBondContact CG1-O 3.16Å; V250-G267 PolarHBondContact O-N 3.31Å; V250-D268 HydrophobicContact CG2-CB 4.2Å; V250-D268 WeakPolarHBondContact CG2-O 3.45Å; V250-D268 PolarHBondContact N-O 2.92Å; V250-I270 HydrophobicContact CG2-CD1 4.04Å; V250-I270 HydrophobicContact CG2-CG1 3.74Å; V250-V303 HydrophobicContact CG2-CG1 4.19Å
251	M	91.6	Very high	88.5	Confident	72 Å²	72	64 Å²	64	36%	0.355	33%	0.328	S	S	.	.	S	Bend	trans	-87	-29.5	178.3	-55.9	-51.2	-56.7	0	0	112.3	Q249 Q266 Y302 S304	Q249-M251 PolarHBondContact O-N 3.2Å; M251-Q266 PolarHBondContact O-NE2 3.5Å; M251-Y302 PolarHBondContact N-O 2.63Å; M251-S304 PolarHBondContact SD-OG 3.29Å
252	Y	88.7	Confident	88.8	Confident	114 Å²	114	61.7 Å²	61.7	45%	0.447	32%	0.32	S	S	.	.	S	Bend	trans	-139.4	141.5	-177.6	-51.8	-72.7	0	0	0	110.2	V250 Y302	V250-Y252 WeakPolarHBondContact CG1-O 3.17Å; Y252-Y302 PolarHBondContact N-O 3.44Å; Y252-Y302 WeakPolarHBondContact O-CD1 3.34Å
253	P	92.6	Very high	89	Confident	79 Å²	79	65.8 Å²	65.8	51%	0.513	34%	0.34	S	S	.	.			trans	-71.7	151.8	179	31.7	-34.6	0	0	0	111.6	L264 Y302	P253-L264 CarbonylContact C-O 3.54Å; P253-L264 WeakPolarHBondContact CA-O 3.23Å; P253-Y302 WeakPolarHBondContact O-CE1 3.43Å
254	Y	89.9	Confident	89.5	Confident	28 Å²	28	65.3 Å²	65.3	11%	0.11	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-143.4	136	-179.4	-177.1	-105.2	0	0	0	110.8	E261 L264 W284 P299 Y302	Y254-E261 PolarHBondContact OH-OE2 3.02Å; Y254-L264 PolarHBondContact N-O 2.83Å; Y254-L264 PolarHBondContact O-N 3.02Å; Y254-W284 HydrophobicContact CE1-CZ3 4.47Å; Y254-W284 WeakPolarHBondContact OH-CH2 3.3Å; Y254-P299 HydrophobicContact CD1-CG 4.48Å; Y254-P299 HydrophobicContact CD2-CG 4.05Å; Y254-P299 HydrophobicContact CE1-CG 4.36Å; Y254-P299 HydrophobicContact CE2-CG 3.94Å; Y254-P299 HydrophobicContact CG-CG 4.33Å; Y254-Y302 HydrophobicContact CD2-CD1 4.37Å; Y254-Y302 AromaticContact CD2-CE1 3.98Å; Y254-Y302 HydrophobicContact CD2-CE1 3.98Å
255	V	90.9	Very high	89.9	Confident	94 Å²	94	63.1 Å²	63.1	57%	0.57	32%	0.323	S	S	*	.			trans	-108	125.1	176.9	-179.8	0	0	0	0	108.4	Q257	V255-Q257 PolarHBondContact O-NE2 3.5Å
256	P	85.4	Confident	90	Very high	44 Å²	44	67.5 Å²	67.5	29%	0.286	34%	0.344	S	S	.	.			trans	-54.1	140	179.4	-29.5	39	0	0	0	112.8	E261 E263	P256-E261 HydrophobicContact CB-CB 3.95Å; P256-E263 HydrophobicContact CG-CB 3.85Å
257	Q	76.1	Confident	90.1	Very high	125 Å²	125	65.8 Å²	65.8	58%	0.584	34%	0.344	S	S	*	.	S	Bend	trans	-105	-21.3	172.5	-55.5	-56.9	-70.1	0	0	112.1	V255 E261	V255-Q257 PolarHBondContact O-NE2 3.5Å; Q257-E261 PolarHBondContact N-OE2 3.1Å
258	N	82.2	Confident	90.1	Very high	91 Å²	91	66.3 Å²	66.3	49%	0.487	35%	0.346	S	S	.	.	S	Bend	trans	-130.6	157.3	177.5	-59.7	-79	0	0	0	110.5	D260 E261	N258-D260 WeakPolarHBondContact CB-OD1 3.29Å; N258-D260 PolarHBondContact O-N 2.59Å; N258-D260 VanDerWaalsContact O-N 3.16Å; N258-E261 HydrophobicContact CB-CG 4.21Å; N258-E261 PolarHBondContact N-OE2 2.8Å; N258-E261 PolarHBondContact ND2-OE1 2.78Å; N258-E261 WeakPolarHBondContact O-CB 3.23Å; N258-E261 PolarHBondContact O-N 3.21Å; N258-E261 VanDerWaalsContact O-N 3.1Å
259	D	79.7	Confident	90.2	Very high	182 Å²	182	67.6 Å²	67.6	97%	0.973	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-14.1	-177	-60.9	-32.4	0	0	0	114
260	D	84.1	Confident	90.3	Very high	94 Å²	94	66 Å²	66	50%	0.503	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	1.3	176.3	64	-36.1	0	0	0	113.9	N258 G296 L297	N258-D260 WeakPolarHBondContact CB-OD1 3.29Å; N258-D260 PolarHBondContact O-N 2.59Å; N258-D260 VanDerWaalsContact O-N 3.16Å; D260-G296 CarbonylContact O-C 3.58Å; D260-G296 WeakPolarHBondContact O-CA 3.01Å; D260-L297 PolarHBondContact O-N 2.69Å; D260-L297 WeakPolarHBondContact OD2-CD1 3.06Å
261	E	90.2	Very high	90.3	Very high	24 Å²	24	66.5 Å²	66.5	11%	0.112	35%	0.346	C	S	.	.	B	Isolated β-bridge	trans	-95.9	146.6	178.7	-67.2	172.8	-168.7	0	0	112.8	Y254 P256 Q257 N258 W284 L297	Y254-E261 PolarHBondContact OH-OE2 3.02Å; P256-E261 HydrophobicContact CB-CB 3.95Å; Q257-E261 PolarHBondContact N-OE2 3.1Å; N258-E261 HydrophobicContact CB-CG 4.21Å; N258-E261 PolarHBondContact N-OE2 2.8Å; N258-E261 PolarHBondContact ND2-OE1 2.78Å; N258-E261 WeakPolarHBondContact O-CB 3.23Å; N258-E261 PolarHBondContact O-N 3.21Å; N258-E261 VanDerWaalsContact O-N 3.1Å; E261-W284 HydrophobicContact CG-CH2 4.01Å; E261-W284 HydrophobicContact CG-CZ3 3.82Å; E261-W284 WeakPolarHBondContact OE1-CH2 3.49Å; E261-L297 CarbonylContact C-O 3.53Å; E261-L297 VanDerWaalsContact CA-O 3.27Å; E261-L297 WeakPolarHBondContact CA-O 3.48Å; E261-L297 HydrophobicContact CG-CB 4.33Å
262	L	92.8	Very high	90.3	Very high	6 Å²	6	63.9 Å²	63.9	3%	0.031	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-95.9	130.4	-177.5	-175.9	62.2	0	0	0	111.7	L264 I270 L294 L297 L298	L262-L264 HydrophobicContact CD2-CD2 4.28Å; L262-L264 HydrophobicContact CG-CD2 4.28Å; L262-I270 HydrophobicContact CD2-CD1 3.85Å; L262-L294 HydrophobicContact CD1-CB 3.83Å; L262-L294 WeakPolarHBondContact CD1-O 3.48Å; L262-L297 PolarHBondContact N-O 3.3Å; L262-L298 HydrophobicContact CD2-CD2 4.4Å
263	E	93.8	Very high	90	Very high	109 Å²	109	59 Å²	59	51%	0.509	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-68.4	131.3	171	-172	173.4	-153.6	0	0	110.3	P256	P256-E263 HydrophobicContact CG-CB 3.85Å
264	L	95.2	Very high	89	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	32%	0.315	C	S	.	.	B	Isolated β-bridge	trans	-112.9	123.5	179.7	-51.9	-178.7	0	0	0	110.4	V250 P253 Y254 L262 I270 L298	V250-L264 HydrophobicContact CG1-CB 3.74Å; V250-L264 HydrophobicContact CG1-CD1 4.4Å; V250-L264 HydrophobicContact CG2-CB 4.12Å; V250-L264 HydrophobicContact CG2-CD2 4.15Å; P253-L264 CarbonylContact C-O 3.54Å; P253-L264 WeakPolarHBondContact CA-O 3.23Å; Y254-L264 PolarHBondContact N-O 2.83Å; Y254-L264 PolarHBondContact O-N 3.02Å; L262-L264 HydrophobicContact CD2-CD2 4.28Å; L262-L264 HydrophobicContact CG-CD2 4.28Å; L264-I270 HydrophobicContact CD2-CD1 3.76Å; L264-I270 HydrophobicContact CD2-CG1 4.23Å; L264-L298 HydrophobicContact CD1-CB 4.1Å; L264-L298 HydrophobicContact CD1-CD1 4.35Å; L264-L298 HydrophobicContact CD2-CB 3.95Å; L264-L298 HydrophobicContact CD2-CD1 4.07Å; L264-L298 HydrophobicContact CG-CB 4.37Å
265	L	93.4	Very high	88.1	Confident	99 Å²	99	62.9 Å²	62.9	52%	0.518	34%	0.342	S	S	.	.			trans	-99.4	132.8	170.2	-60.3	178.4	0	0	0	109.4	V250 G267 D268	V250-L265 VanDerWaalsContact CB-O 3.28Å; V250-L265 WeakPolarHBondContact CB-O 3.27Å; V250-L265 VanDerWaalsContact CG1-O 3.28Å; V250-L265 WeakPolarHBondContact CG1-O 3.16Å; L265-G267 PolarHBondContact O-N 2.94Å; L265-D268 HydrophobicContact CB-CB 4.4Å; L265-D268 VanDerWaalsContact O-CB 3.25Å; L265-D268 WeakPolarHBondContact O-CB 3.21Å; L265-D268 PolarHBondContact O-N 3.11Å
266	Q	93.1	Very high	86.9	Confident	136 Å²	136	62.3 Å²	62.3	64%	0.636	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	129.8	-178	-170.4	174.9	26.6	0	0	111.1	M251	M251-Q266 PolarHBondContact O-NE2 3.5Å
267	G	92	Very high	86	Confident	30 Å²	30	62.7 Å²	62.7	31%	0.309	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	88.5	-12	-176.4	0	0	0	0	0	115.3	V250 L265	V250-G267 PolarHBondContact O-N 3.31Å; L265-G267 PolarHBondContact O-N 2.94Å
268	D	95.6	Very high	85.3	Confident	24 Å²	24	61.7 Å²	61.7	13%	0.128	34%	0.338	C	S	.	.			trans	-64.8	160.8	172.8	-171.4	28.3	0	0	0	111.5	Q249 V250 L265 S289 G291	Q249-D268 WeakPolarHBondContact CA-O 3.42Å; V250-D268 HydrophobicContact CG2-CB 4.2Å; V250-D268 WeakPolarHBondContact CG2-O 3.45Å; V250-D268 PolarHBondContact N-O 2.92Å; L265-D268 HydrophobicContact CB-CB 4.4Å; L265-D268 VanDerWaalsContact O-CB 3.25Å; L265-D268 WeakPolarHBondContact O-CB 3.21Å; L265-D268 PolarHBondContact O-N 3.11Å; D268-S289 WeakPolarHBondContact OD2-CB 3.41Å; D268-S289 PolarHBondContact OD2-OG 2.83Å; D268-G291 PolarHBondContact OD1-N 3.44Å
269	F	96.9	Very high	84.2	Confident	33 Å²	33	62.9 Å²	62.9	15%	0.145	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	137.7	176.5	-64.5	-87	0	0	0	111.3	T247 L248 Q249 L290 A306 D310 T311	T247-F269 HydrophobicContact CG2-CD1 4.07Å; L248-F269 CarbonylContact O-C 3.6Å; L248-F269 VanDerWaalsContact O-CA 3.23Å; L248-F269 WeakPolarHBondContact O-CA 3.34Å; Q249-F269 HydrophobicContact CB-CD1 4.05Å; Q249-F269 HydrophobicContact CB-CE1 3.94Å; Q249-F269 HydrophobicContact CG-CD1 4.42Å; Q249-F269 HydrophobicContact CG-CE1 4.11Å; F269-L290 HydrophobicContact CB-CB 4.12Å; F269-L290 HydrophobicContact CB-CD2 4.01Å; F269-L290 HydrophobicContact CD2-CD2 4.11Å; F269-L290 HydrophobicContact CG-CD2 4.44Å; F269-L290 WeakPolarHBondContact O-CB 3.22Å; F269-L290 PolarHBondContact O-N 2.82Å; F269-A306 HydrophobicContact CD1-CB 3.8Å; F269-A306 HydrophobicContact CE1-CB 3.69Å; F269-D310 HydrophobicContact CE1-CB 3.74Å; F269-D310 HydrophobicContact CZ-CB 3.76Å; F269-T311 HydrophobicContact CB-CG2 3.62Å; F269-T311 HydrophobicContact CD1-CG2 3.97Å; F269-T311 HydrophobicContact CD2-CG2 4.19Å; F269-T311 HydrophobicContact CG-CG2 3.66Å
270	I	96.6	Very high	83.6	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	129.1	178.7	-50.7	-66.2	0	0	0	108.7	L248 V250 L262 L264 T288 L298 V303	L248-I270 HydrophobicContact CB-CB 4.35Å; L248-I270 PolarHBondContact N-O 3.24Å; L248-I270 PolarHBondContact O-N 3.3Å; V250-I270 HydrophobicContact CG2-CD1 4.04Å; V250-I270 HydrophobicContact CG2-CG1 3.74Å; L262-I270 HydrophobicContact CD2-CD1 3.85Å; L264-I270 HydrophobicContact CD2-CD1 3.76Å; L264-I270 HydrophobicContact CD2-CG1 4.23Å; I270-T288 CarbonylContact C-O 3.49Å; I270-T288 WeakPolarHBondContact CA-O 3.43Å; I270-L298 HydrophobicContact CB-CD1 4.45Å; I270-L298 HydrophobicContact CG1-CD1 4.14Å; I270-L298 HydrophobicContact CG2-CD1 4.04Å; I270-L298 HydrophobicContact CG2-CD2 3.99Å; I270-V303 HydrophobicContact CG1-CG1 4.34Å
271	F	95.1	Very high	82.9	Confident	11 Å²	11	55 Å²	55	5%	0.048	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	113.3	170.2	-58.4	-73.2	0	0	0	109.6	F242 H245 G287 T288 L290 T311	F242-F271 HydrophobicContact CB-CB 3.84Å; F242-F271 HydrophobicContact CB-CD1 3.5Å; F242-F271 VanDerWaalsContact CB-CD1 3.5Å; F242-F271 HydrophobicContact CB-CD2 3.96Å; F242-F271 HydrophobicContact CB-CE1 3.95Å; F242-F271 HydrophobicContact CB-CE2 4.36Å; F242-F271 HydrophobicContact CB-CG 3.49Å; F242-F271 VanDerWaalsContact CB-CG 3.49Å; F242-F271 HydrophobicContact CB-CZ 4.36Å; F242-F271 HydrophobicContact CD1-CB 3.6Å; F242-F271 HydrophobicContact CD1-CD2 4.07Å; F242-F271 AromaticContact CD1-CG 3.93Å; F242-F271 HydrophobicContact CD1-CG 3.93Å; F242-F271 HydrophobicContact CD2-CB 4.35Å; F242-F271 HydrophobicContact CD2-CD1 4.38Å; F242-F271 AromaticContact CD2-CD2 3.29Å; F242-F271 HydrophobicContact CD2-CD2 3.29Å; F242-F271 AromaticContact CD2-CE2 3.49Å; F242-F271 HydrophobicContact CD2-CE2 3.49Å; F242-F271 VanDerWaalsContact CD2-CE2 3.49Å; F242-F271 AromaticContact CD2-CG 3.77Å; F242-F271 HydrophobicContact CD2-CG 3.77Å; F242-F271 HydrophobicContact CD2-CZ 4.12Å; F242-F271 HydrophobicContact CE1-CB 4.3Å; F242-F271 HydrophobicContact CE1-CD2 4.47Å; F242-F271 AromaticContact CE2-CD2 3.78Å; F242-F271 HydrophobicContact CE2-CD2 3.78Å; F242-F271 HydrophobicContact CE2-CE2 4.05Å; F242-F271 HydrophobicContact CG-CB 3.65Å; F242-F271 AromaticContact CG-CD1 3.99Å; F242-F271 HydrophobicContact CG-CD1 3.99Å; F242-F271 AromaticContact CG-CD2 3.48Å; F242-F271 HydrophobicContact CG-CD2 3.48Å; F242-F271 VanDerWaalsContact CG-CD2 3.48Å; F242-F271 HydrophobicContact CG-CE1 4.5Å; F242-F271 HydrophobicContact CG-CE2 4.05Å; F242-F271 AromaticContact CG-CG 3.43Å; F242-F271 HydrophobicContact CG-CG 3.43Å; F242-F271 VanDerWaalsContact CG-CG 3.43Å; F242-F271 HydrophobicContact CZ-CD2 4.35Å; H245-F271 HydrophobicContact CB-CB 4Å; F271-G287 CarbonylContact O-C 3.56Å; F271-G287 WeakPolarHBondContact O-CA 3.47Å; F271-T288 PolarHBondContact N-O 3.34Å; F271-T288 PolarHBondContact O-N 2.82Å; F271-L290 HydrophobicContact CE2-CB 3.82Å; F271-L290 HydrophobicContact CE2-CD1 3.83Å; F271-L290 HydrophobicContact CE2-CG 4.31Å; F271-L290 HydrophobicContact CZ-CB 4.41Å; F271-L290 HydrophobicContact CZ-CD1 4.07Å; F271-T311 HydrophobicContact CE1-CG2 3.93Å; F271-T311 HydrophobicContact CZ-CG2 3.88Å
272	M	92.8	Very high	82.1	Confident	17 Å²	17	60.8 Å²	60.8	8%	0.084	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.9	178.2	175.7	-87.8	-76.2	0	0	110.9	H245 E246 L248 P274 Q277 Y286	H245-M272 CarbonylContact C-O 3.6Å; H245-M272 WeakPolarHBondContact CA-O 3.22Å; H245-M272 VanDerWaalsContact CB-O 3.29Å; H245-M272 WeakPolarHBondContact CB-O 3.36Å; E246-M272 HydrophobicContact CB-CE 3.89Å; E246-M272 HydrophobicContact CG-CE 4.12Å; E246-M272 PolarHBondContact N-O 3.12Å; E246-M272 PolarHBondContact O-N 3.09Å; L248-M272 HydrophobicContact CD1-CB 3.77Å; L248-M272 HydrophobicContact CD1-CG 4.46Å; L248-M272 HydrophobicContact CG-CB 4.38Å; M272-P274 WeakPolarHBondContact O-CD 3.34Å; M272-Q277 HydrophobicContact SD-CB 4.23Å; M272-Y286 WeakPolarHBondContact CG-O 3.4Å
273	S	81.1	Confident	81.5	Confident	12 Å²	12	62.2 Å²	62.2	8%	0.084	36%	0.359	C	S	.	.			trans	-83.4	120.1	177.2	175.7	0	0	0	0	110.7	H245 V275 E276 Q277	H245-S273 PolarHBondContact CD2-N 2.92Å; S273-V275 PolarHBondContact O-N 3.26Å; S273-V275 PolarHBondContact OG-N 2.71Å; S273-E276 WeakPolarHBondContact CB-OE2 3.19Å; S273-E276 PolarHBondContact O-N 3.23Å; S273-Q277 PolarHBondContact O-N 3.4Å; S273-Q277 VanDerWaalsContact O-N 3.14Å
274	P	72.5	Confident	81.1	Confident	77 Å²	77	60.2 Å²	60.2	50%	0.5	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-16.4	177.1	-24.2	34.8	0	0	0	114.3	M272	M272-P274 WeakPolarHBondContact O-CD 3.34Å
275	V	70.8	Confident	80.9	Confident	111 Å²	111	60.7 Å²	60.7	67%	0.673	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85	-46.2	179.3	-175.5	0	0	0	0	110.5	S273 Q277 S278	S273-V275 PolarHBondContact O-N 3.26Å; S273-V275 PolarHBondContact OG-N 2.71Å; V275-Q277 VanDerWaalsContact C-N 3.31Å; V275-Q277 PolarHBondContact O-N 2.95Å; V275-S278 WeakPolarHBondContact O-CB 3.07Å; V275-S278 PolarHBondContact O-N 2.83Å; V275-S278 PolarHBondContact O-OG 3.02Å
276	E	66.6	Low	80.8	Confident	83 Å²	83	59.5 Å²	59.5	39%	0.388	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-75.9	-21.6	-176.4	-61.9	169	159.7	0	0	112	S273 S278 T279 Y286	S273-E276 WeakPolarHBondContact CB-OE2 3.19Å; S273-E276 PolarHBondContact O-N 3.23Å; E276-S278 PolarHBondContact O-N 2.58Å; E276-T279 PolarHBondContact O-N 2.88Å; E276-T279 PolarHBondContact O-OG1 2.77Å; E276-Y286 HydrophobicContact CB-CD1 4.07Å; E276-Y286 WeakPolarHBondContact OE2-CD1 3.5Å
277	Q	65.4	Low	80.8	Confident	52 Å²	52	53 Å²	53	24%	0.243	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-57.2	-18.2	170.5	-168.3	54.6	49.3	0	0	113.8	M272 S273 V275 T279 W284 L285	M272-Q277 HydrophobicContact SD-CB 4.23Å; S273-Q277 PolarHBondContact O-N 3.4Å; S273-Q277 VanDerWaalsContact O-N 3.14Å; V275-Q277 VanDerWaalsContact C-N 3.31Å; V275-Q277 PolarHBondContact O-N 2.95Å; Q277-T279 VanDerWaalsContact C-N 3.32Å; Q277-W284 PolarHBondContact NE2-O 3.39Å; Q277-L285 VanDerWaalsContact OE1-CA 3.26Å
278	S	60.8	Low	80.9	Confident	103 Å²	103	52 Å²	52	72%	0.72	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-74.4	-16.6	176.6	67.9	0	0	0	0	114.8	V275 E276	V275-S278 WeakPolarHBondContact O-CB 3.07Å; V275-S278 PolarHBondContact O-N 2.83Å; V275-S278 PolarHBondContact O-OG 3.02Å; E276-S278 PolarHBondContact O-N 2.58Å
279	T	59.4	Low	81	Confident	117 Å²	117	50.9 Å²	50.9	72%	0.718	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-14.7	177.2	56.5	0	0	0	0	113.4	E276 Q277	E276-T279 PolarHBondContact O-N 2.88Å; E276-T279 PolarHBondContact O-OG1 2.77Å; Q277-T279 VanDerWaalsContact C-N 3.32Å
280	A	67.4	Low	80.8	Confident	21 Å²	21	51.9 Å²	51.9	17%	0.174	30%	0.297	C	S	.	.	S	Bend	trans	-71.4	145.1	179	0	0	0	0	0	112.7	W284 L297	A280-W284 WeakPolarHBondContact CB-O 3.36Å; A280-L297 HydrophobicContact CB-CD2 4.28Å
281	S	69.6	Low	80.7	Confident	89 Å²	89	53.2 Å²	53.2	62%	0.622	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-73.3	158.1	176.1	-71.7	0	0	0	0	112.1	G283 W284	S281-G283 PolarHBondContact O-N 3.37Å; S281-W284 PolarHBondContact O-N 2.92Å
282	E	72.8	Confident	80.6	Confident	146 Å²	146	54 Å²	54	68%	0.682	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	125.5	-179.5	-174	164.4	-142.1	0	0	111.5	R596	E282-R596 IonicContact OE1-CZ 3.56Å; E282-R596 IonicContact OE1-NE 2.92Å; E282-R596 PolarHBondContact OE1-NE 2.93Å; E282-R596 IonicContact OE1-NH2 2.77Å; E282-R596 PolarHBondContact OE1-NH2 2.79Å; E282-R596 IonicContact OE2-NH2 3.4Å
283	G	79.9	Confident	80.5	Confident	35 Å²	35	53.3 Å²	53.3	36%	0.361	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-4.7	-174.8	0	0	0	0	0	115.3	S281 E300	S281-G283 PolarHBondContact O-N 3.37Å; G283-E300 PolarHBondContact O-N 3.39Å
284	W	86.8	Confident	81.1	Confident	68 Å²	68	55.8 Å²	55.8	26%	0.258	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	147.3	177.2	-65.1	83.8	0	0	0	111.7	Y254 E261 Q277 A280 S281 L297 L298 P299	Y254-W284 HydrophobicContact CE1-CZ3 4.47Å; Y254-W284 WeakPolarHBondContact OH-CH2 3.3Å; E261-W284 HydrophobicContact CG-CH2 4.01Å; E261-W284 HydrophobicContact CG-CZ3 3.82Å; E261-W284 WeakPolarHBondContact OE1-CH2 3.49Å; Q277-W284 PolarHBondContact NE2-O 3.39Å; A280-W284 WeakPolarHBondContact CB-O 3.36Å; S281-W284 PolarHBondContact O-N 2.92Å; W284-L297 HydrophobicContact CE3-CB 3.88Å; W284-L297 HydrophobicContact CZ3-CB 4.3Å; W284-L298 CarbonylContact C-O 3.56Å; W284-L298 WeakPolarHBondContact CA-O 3.49Å; W284-L298 VanDerWaalsContact CE3-C 3.44Å; W284-P299 HydrophobicContact CE3-CG 4.39Å; W284-P299 HydrophobicContact CH2-CG 4.29Å; W284-P299 HydrophobicContact CZ3-CG 4.02Å
285	L	89.9	Confident	82	Confident	11 Å²	11	54.3 Å²	54.3	6%	0.058	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	154.2	168.6	-47.6	175.6	0	0	0	108.9	L248 Q277 L297 L298 E300 V303	L248-L285 HydrophobicContact CD1-CD1 3.56Å; Q277-L285 VanDerWaalsContact OE1-CA 3.26Å; L285-L297 CarbonylContact O-C 3.55Å; L285-L297 WeakPolarHBondContact O-CA 3.35Å; L285-L298 HydrophobicContact CB-CD2 4.23Å; L285-L298 HydrophobicContact CB-CG 4.13Å; L285-L298 PolarHBondContact N-O 2.73Å; L285-L298 WeakPolarHBondContact O-CD2 3.34Å; L285-L298 PolarHBondContact O-N 2.74Å; L285-E300 HydrophobicContact CD1-CB 4.26Å; L285-E300 HydrophobicContact CD1-CG 4.23Å; L285-E300 HydrophobicContact CD2-CB 3.95Å; L285-E300 HydrophobicContact CD2-CG 3.91Å; L285-E300 HydrophobicContact CG-CB 3.87Å; L285-E300 HydrophobicContact CG-CG 4.18Å; L285-V303 HydrophobicContact CD1-CG2 3.67Å
286	Y	91.9	Very high	83	Confident	73 Å²	73	49.1 Å²	49.1	29%	0.286	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.6	164.1	-171.5	-94.7	0	0	0	108.7	M272 E276 S295 L297	M272-Y286 WeakPolarHBondContact CG-O 3.4Å; E276-Y286 HydrophobicContact CB-CD1 4.07Å; E276-Y286 WeakPolarHBondContact OE2-CD1 3.5Å; Y286-S295 WeakPolarHBondContact OH-CB 3.38Å; Y286-L297 HydrophobicContact CD2-CD2 4.04Å; Y286-L297 HydrophobicContact CD2-CG 4.33Å
287	G	93.4	Very high	84.2	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	172.7	-176.5	0	0	0	0	0	113.2	F271 S295 G296	F271-G287 CarbonylContact O-C 3.56Å; F271-G287 WeakPolarHBondContact O-CA 3.47Å; G287-S295 CarbonylContact O-C 3.48Å; G287-S295 VanDerWaalsContact O-CA 3.26Å; G287-S295 WeakPolarHBondContact O-CA 3.2Å; G287-G296 PolarHBondContact N-O 2.69Å; G287-G296 VanDerWaalsContact N-O 3.09Å; G287-G296 PolarHBondContact O-N 2.98Å
288	T	94.5	Very high	85.5	Confident	8 Å²	8	44.5 Å²	44.5	5%	0.049	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	129.6	-179.4	-51.5	0	0	0	0	110.8	F242 I270 F271 G293 L294 S295	F242-T288 HydrophobicContact CE1-CG2 4.01Å; F242-T288 HydrophobicContact CZ-CG2 3.63Å; I270-T288 CarbonylContact C-O 3.49Å; I270-T288 WeakPolarHBondContact CA-O 3.43Å; F271-T288 PolarHBondContact N-O 3.34Å; F271-T288 PolarHBondContact O-N 2.82Å; T288-G293 WeakPolarHBondContact CG2-O 3.3Å; T288-L294 CarbonylContact C-O 3.55Å; T288-L294 VanDerWaalsContact CA-O 3.3Å; T288-L294 WeakPolarHBondContact CA-O 3.49Å; T288-L294 WeakPolarHBondContact CG2-O 3.48Å; T288-S295 PolarHBondContact OG1-OG 2.69Å
289	S	95.8	Very high	86.9	Confident	2 Å²	2	40 Å²	40	1%	0.014	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	134.6	176.1	164.7	0	0	0	0	111.5	D268 G291 T292 G293 L294	D268-S289 WeakPolarHBondContact OD2-CB 3.41Å; D268-S289 PolarHBondContact OD2-OG 2.83Å; S289-G291 PolarHBondContact OG-N 3.16Å; S289-G291 VanDerWaalsContact OG-N 3.08Å; S289-T292 WeakPolarHBondContact CB-OG1 3.22Å; S289-T292 PolarHBondContact OG-N 2.75Å; S289-T292 VanDerWaalsContact OG-N 3.09Å; S289-T292 PolarHBondContact OG-OG1 2.8Å; S289-G293 VanDerWaalsContact O-CA 3.22Å; S289-G293 WeakPolarHBondContact O-CA 3.41Å; S289-G293 PolarHBondContact O-N 2.88Å; S289-L294 PolarHBondContact N-O 3.05Å
290	L	94.7	Very high	88.3	Confident	53 Å²	53	38.3 Å²	38.3	28%	0.277	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-33.6	169.2	175.7	62.6	0	0	0	111.6	H65 F269 F271 T311	H65-L290 PolarHBondContact CE1-O 3.04Å; H65-L290 VanDerWaalsContact CE1-O 3.29Å; H65-L290 PolarHBondContact NE2-O 3.25Å; F269-L290 HydrophobicContact CB-CB 4.12Å; F269-L290 HydrophobicContact CB-CD2 4.01Å; F269-L290 HydrophobicContact CD2-CD2 4.11Å; F269-L290 HydrophobicContact CG-CD2 4.44Å; F269-L290 WeakPolarHBondContact O-CB 3.22Å; F269-L290 PolarHBondContact O-N 2.82Å; F271-L290 HydrophobicContact CE2-CB 3.82Å; F271-L290 HydrophobicContact CE2-CD1 3.83Å; F271-L290 HydrophobicContact CE2-CG 4.31Å; F271-L290 HydrophobicContact CZ-CB 4.41Å; F271-L290 HydrophobicContact CZ-CD1 4.07Å; L290-T311 HydrophobicContact CD2-CG2 3.8Å
291	G	92.6	Very high	89.3	Confident	28 Å²	28	42.7 Å²	42.7	29%	0.289	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-34.1	-179.7	0	0	0	0	0	114.3	S64 H65 D268 S289	S64-G291 WeakPolarHBondContact CB-O 3.38Å; H65-G291 VanDerWaalsContact CE1-C 3.48Å; H65-G291 PolarHBondContact CE1-O 3.04Å; H65-G291 PolarHBondContact ND1-O 3.47Å; D268-G291 PolarHBondContact OD1-N 3.44Å; S289-G291 PolarHBondContact OG-N 3.16Å; S289-G291 VanDerWaalsContact OG-N 3.08Å
292	T	93.3	Very high	90.3	Very high	29 Å²	29	40.2 Å²	40.2	18%	0.178	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-17	-175.1	64.6	0	0	0	0	115.2	S64 S289 L294	S64-T292 WeakPolarHBondContact O-CA 3.29Å; S289-T292 WeakPolarHBondContact CB-OG1 3.22Å; S289-T292 PolarHBondContact OG-N 2.75Å; S289-T292 VanDerWaalsContact OG-N 3.09Å; S289-T292 PolarHBondContact OG-OG1 2.8Å; T292-L294 PolarHBondContact O-N 3.18Å; T292-L294 PolarHBondContact OG1-N 3.27Å
293	G	91.8	Very high	91.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.01	19%	0.189	C	C	.	.			trans	72.6	-0.4	-172.1	0	0	0	0	0	114.8	T288 S289	T288-G293 WeakPolarHBondContact CG2-O 3.3Å; S289-G293 VanDerWaalsContact O-CA 3.22Å; S289-G293 WeakPolarHBondContact O-CA 3.41Å; S289-G293 PolarHBondContact O-N 2.88Å
294	L	92.3	Very high	91.8	Very high	64 Å²	64	34.9 Å²	34.9	34%	0.335	19%	0.188	S	C	.	.			trans	-78.2	143.5	178.9	-65.7	176.7	0	0	0	111.9	D67 L262 T288 S289 T292	D67-L294 HydrophobicContact CB-CD2 4.01Å; D67-L294 VanDerWaalsContact O-CD2 3.25Å; D67-L294 WeakPolarHBondContact O-CD2 3.31Å; L262-L294 HydrophobicContact CD1-CB 3.83Å; L262-L294 WeakPolarHBondContact CD1-O 3.48Å; T288-L294 CarbonylContact C-O 3.55Å; T288-L294 VanDerWaalsContact CA-O 3.3Å; T288-L294 WeakPolarHBondContact CA-O 3.49Å; T288-L294 WeakPolarHBondContact CG2-O 3.48Å; S289-L294 PolarHBondContact N-O 3.05Å; T292-L294 PolarHBondContact O-N 3.18Å; T292-L294 PolarHBondContact OG1-N 3.27Å
295	S	92.4	Very high	92	Very high	47 Å²	47	39 Å²	39	33%	0.329	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	143.7	175.9	-49	0	0	0	0	111.3	Y286 G287 T288	Y286-S295 WeakPolarHBondContact OH-CB 3.38Å; G287-S295 CarbonylContact O-C 3.48Å; G287-S295 VanDerWaalsContact O-CA 3.26Å; G287-S295 WeakPolarHBondContact O-CA 3.2Å; T288-S295 PolarHBondContact OG1-OG 2.69Å
296	G	91.4	Very high	92.1	Very high	2 Å²	2	39 Å²	39	2%	0.021	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-178.3	-177.8	176.4	0	0	0	0	0	113.4	D260 G287	D260-G296 CarbonylContact O-C 3.58Å; D260-G296 WeakPolarHBondContact O-CA 3.01Å; G287-G296 PolarHBondContact N-O 2.69Å; G287-G296 VanDerWaalsContact N-O 3.09Å; G287-G296 PolarHBondContact O-N 2.98Å
297	L	91.6	Very high	92	Very high	37 Å²	37	36.3 Å²	36.3	19%	0.194	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	135.4	174.2	-69.4	175.5	0	0	0	111.5	D260 E261 L262 A280 W284 L285 Y286	D260-L297 PolarHBondContact O-N 2.69Å; D260-L297 WeakPolarHBondContact OD2-CD1 3.06Å; E261-L297 CarbonylContact C-O 3.53Å; E261-L297 VanDerWaalsContact CA-O 3.27Å; E261-L297 WeakPolarHBondContact CA-O 3.48Å; E261-L297 HydrophobicContact CG-CB 4.33Å; L262-L297 PolarHBondContact N-O 3.3Å; A280-L297 HydrophobicContact CB-CD2 4.28Å; W284-L297 HydrophobicContact CE3-CB 3.88Å; W284-L297 HydrophobicContact CZ3-CB 4.3Å; L285-L297 CarbonylContact O-C 3.55Å; L285-L297 WeakPolarHBondContact O-CA 3.35Å; Y286-L297 HydrophobicContact CD2-CD2 4.04Å; Y286-L297 HydrophobicContact CD2-CG 4.33Å
298	L	93.1	Very high	91.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	149.3	177.4	62.6	144.8	0	0	0	111.9	L262 L264 I270 W284 L285 E300 V303	L262-L298 HydrophobicContact CD2-CD2 4.4Å; L264-L298 HydrophobicContact CD1-CB 4.1Å; L264-L298 HydrophobicContact CD1-CD1 4.35Å; L264-L298 HydrophobicContact CD2-CB 3.95Å; L264-L298 HydrophobicContact CD2-CD1 4.07Å; L264-L298 HydrophobicContact CG-CB 4.37Å; I270-L298 HydrophobicContact CB-CD1 4.45Å; I270-L298 HydrophobicContact CG1-CD1 4.14Å; I270-L298 HydrophobicContact CG2-CD1 4.04Å; I270-L298 HydrophobicContact CG2-CD2 3.99Å; W284-L298 CarbonylContact C-O 3.56Å; W284-L298 WeakPolarHBondContact CA-O 3.49Å; W284-L298 VanDerWaalsContact CE3-C 3.44Å; L285-L298 HydrophobicContact CB-CD2 4.23Å; L285-L298 HydrophobicContact CB-CG 4.13Å; L285-L298 PolarHBondContact N-O 2.73Å; L285-L298 WeakPolarHBondContact O-CD2 3.34Å; L285-L298 PolarHBondContact O-N 2.74Å; L298-E300 PolarHBondContact O-N 2.67Å; L298-V303 HydrophobicContact CD1-CG1 3.63Å; L298-V303 HydrophobicContact CD1-CG2 4.2Å
299	P	89.9	Confident	91.8	Very high	10 Å²	10	38.6 Å²	38.6	7%	0.065	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	129.4	177.5	-20.8	33.4	0	0	0	112.7	Y254 W284 N301 Y302	Y254-P299 HydrophobicContact CD1-CG 4.48Å; Y254-P299 HydrophobicContact CD2-CG 4.05Å; Y254-P299 HydrophobicContact CE1-CG 4.36Å; Y254-P299 HydrophobicContact CE2-CG 3.94Å; Y254-P299 HydrophobicContact CG-CG 4.33Å; W284-P299 HydrophobicContact CE3-CG 4.39Å; W284-P299 HydrophobicContact CH2-CG 4.29Å; W284-P299 HydrophobicContact CZ3-CG 4.02Å; P299-N301 PolarHBondContact O-N 2.88Å; P299-Y302 HydrophobicContact CB-CD2 3.59Å; P299-Y302 HydrophobicContact CB-CE2 4.14Å; P299-Y302 HydrophobicContact CB-CG 4.17Å; P299-Y302 HydrophobicContact CG-CD2 4.09Å; P299-Y302 HydrophobicContact CG-CE2 4.39Å; P299-Y302 HydrophobicContact CG-CG 4.42Å; P299-Y302 PolarHBondContact O-N 2.94Å; P299-Y302 VanDerWaalsContact O-N 3.08Å
300	E	89.8	Confident	91.7	Very high	80 Å²	80	42.3 Å²	42.3	37%	0.374	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-57.9	-35.2	-178.1	179.8	178.7	179.9	0	0	112.2	G283 L285 L298 Y302 V303	G283-E300 PolarHBondContact O-N 3.39Å; L285-E300 HydrophobicContact CD1-CB 4.26Å; L285-E300 HydrophobicContact CD1-CG 4.23Å; L285-E300 HydrophobicContact CD2-CB 3.95Å; L285-E300 HydrophobicContact CD2-CG 3.91Å; L285-E300 HydrophobicContact CG-CB 3.87Å; L285-E300 HydrophobicContact CG-CG 4.18Å; L298-E300 PolarHBondContact O-N 2.67Å; E300-Y302 VanDerWaalsContact C-N 3.25Å; E300-Y302 PolarHBondContact O-N 3.01Å; E300-V303 WeakPolarHBondContact O-CG2 3.45Å
301	N	88.4	Confident	91.6	Very high	114 Å²	114	40.3 Å²	40.3	61%	0.61	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-79.2	-1.5	-177.4	70.7	-67.8	0	0	0	114.5	P299	P299-N301 PolarHBondContact O-N 2.88Å
302	Y	90.4	Very high	91.8	Very high	37 Å²	37	40 Å²	40	15%	0.145	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-92.8	-8.8	177.2	-81.3	-121.9	0	0	0	112.8	M251 Y252 P253 Y254 P299 E300	M251-Y302 PolarHBondContact N-O 2.63Å; Y252-Y302 PolarHBondContact N-O 3.44Å; Y252-Y302 WeakPolarHBondContact O-CD1 3.34Å; P253-Y302 WeakPolarHBondContact O-CE1 3.43Å; Y254-Y302 HydrophobicContact CD2-CD1 4.37Å; Y254-Y302 AromaticContact CD2-CE1 3.98Å; Y254-Y302 HydrophobicContact CD2-CE1 3.98Å; P299-Y302 HydrophobicContact CB-CD2 3.59Å; P299-Y302 HydrophobicContact CB-CE2 4.14Å; P299-Y302 HydrophobicContact CB-CG 4.17Å; P299-Y302 HydrophobicContact CG-CD2 4.09Å; P299-Y302 HydrophobicContact CG-CE2 4.39Å; P299-Y302 HydrophobicContact CG-CG 4.42Å; P299-Y302 PolarHBondContact O-N 2.94Å; P299-Y302 VanDerWaalsContact O-N 3.08Å; E300-Y302 VanDerWaalsContact C-N 3.25Å; E300-Y302 PolarHBondContact O-N 3.01Å
303	V	92.9	Very high	91.9	Very high	20 Å²	20	39.7 Å²	39.7	12%	0.121	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	157	-175.9	-68.6	0	0	0	0	112.4	L248 Q249 V250 I270 L285 L298 E300	L248-V303 HydrophobicContact CB-CB 4.13Å; L248-V303 HydrophobicContact CB-CG2 4.43Å; L248-V303 HydrophobicContact CD1-CG2 3.95Å; Q249-V303 CarbonylContact O-C 3.54Å; Q249-V303 WeakPolarHBondContact O-CA 3.37Å; V250-V303 HydrophobicContact CG2-CG1 4.19Å; I270-V303 HydrophobicContact CG1-CG1 4.34Å; L285-V303 HydrophobicContact CD1-CG2 3.67Å; L298-V303 HydrophobicContact CD1-CG1 3.63Å; L298-V303 HydrophobicContact CD1-CG2 4.2Å; E300-V303 WeakPolarHBondContact O-CG2 3.45Å
304	S	91.6	Very high	92.1	Very high	48 Å²	48	43.1 Å²	43.1	34%	0.336	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	164.2	171.6	82.8	0	0	0	0	111.1	L248 Q249 M251 A306	L248-S304 CarbonylContact C-O 3.53Å; L248-S304 WeakPolarHBondContact CA-O 3.25Å; Q249-S304 PolarHBondContact N-O 3.31Å; Q249-S304 PolarHBondContact O-N 2.99Å; M251-S304 PolarHBondContact SD-OG 3.29Å; S304-A306 PolarHBondContact O-N 3.46Å
305	R	90.5	Very high	92.2	Very high	155 Å²	155	41.1 Å²	41.1	59%	0.585	22%	0.215	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	107.7	-178.5	-80.3	-178.7	162.9	179.3	-4.9	112.1	E246 L248	E246-R305 IonicContact OE1-CZ 3.51Å; E246-R305 IonicContact OE1-NH2 3.58Å; E246-R305 PolarHBondContact OE1-NH2 3.33Å; E246-R305 IonicContact OE2-CZ 2.59Å; E246-R305 VanDerWaalsContact OE2-CZ 3.22Å; E246-R305 IonicContact OE2-NE 2.69Å; E246-R305 PolarHBondContact OE2-NE 3.01Å; E246-R305 IonicContact OE2-NH2 3.52Å; E246-R305 PolarHBondContact OE2-NH2 2.92Å; L248-R305 HydrophobicContact CD2-CG 3.82Å
306	A	91.4	Very high	92.2	Very high	11 Å²	11	39.3 Å²	39.3	9%	0.091	20%	0.204	C	C	.	.			trans	-77.3	168.9	174.7	0	0	0	0	0	112.7	K106 T247 Q249 F269 S304	K106-A306 VanDerWaalsContact NZ-C 3.31Å; K106-A306 PolarHBondContact NZ-O 3.39Å; T247-A306 HydrophobicContact CG2-CB 3.86Å; T247-A306 PolarHBondContact O-N 3.43Å; Q249-A306 HydrophobicContact CB-CB 4.06Å; F269-A306 HydrophobicContact CD1-CB 3.8Å; F269-A306 HydrophobicContact CE1-CB 3.69Å; S304-A306 PolarHBondContact O-N 3.46Å
307	D	91.3	Very high	92.3	Very high	16 Å²	16	41.5 Å²	41.5	9%	0.086	22%	0.219	C	C	.	.			trans	-84	144.9	168.9	-57.6	-31.3	0	0	0	109.2	R101 K106 H110 S309 D310	R101-D307 IonicContact CZ-OD1 2.71Å; R101-D307 IonicContact CZ-OD2 3.22Å; R101-D307 IonicContact NH1-OD1 2.65Å; R101-D307 PolarHBondContact NH1-OD1 3.34Å; R101-D307 VanDerWaalsContact NH1-OD1 3.15Å; R101-D307 IonicContact NH1-OD2 3.01Å; R101-D307 PolarHBondContact NH1-OD2 3.3Å; R101-D307 IonicContact NH2-OD1 2.8Å; R101-D307 PolarHBondContact NH2-OD1 3.41Å; R101-D307 IonicContact NH2-OD2 3.6Å; R101-D307 PolarHBondContact NH2-OD2 2.88Å; K106-D307 WeakPolarHBondContact CE-OD1 3.41Å; K106-D307 IonicContact NZ-OD1 2.84Å; K106-D307 PolarHBondContact NZ-OD1 2.93Å; H110-D307 WeakPolarHBondContact O-CB 3.31Å; H110-D307 VanDerWaalsContact O-OD1 3.13Å; D307-S309 VanDerWaalsContact C-N 3.29Å; D307-S309 PolarHBondContact O-N 3.09Å; D307-D310 WeakPolarHBondContact CA-OD2 3.26Å; D307-D310 WeakPolarHBondContact CB-OD2 3.3Å; D307-D310 PolarHBondContact N-OD2 3.33Å; D307-D310 WeakPolarHBondContact O-CB 3.32Å; D307-D310 PolarHBondContact O-N 2.61Å; D307-D310 VanDerWaalsContact O-N 3.16Å
308	E	91.1	Very high	92.4	Very high	40 Å²	40	41.8 Å²	41.8	19%	0.187	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-63.1	-40.2	-172.4	-165.9	-170.1	140.4	0	0	111.3	N111 R238 D310 T311 W312	N111-E308 HydrophobicContact CB-CB 4.05Å; N111-E308 WeakPolarHBondContact O-CB 3.45Å; N111-E308 PolarHBondContact O-N 3.18Å; R238-E308 IonicContact CZ-OE1 3.64Å; R238-E308 IonicContact NH1-OE1 2.68Å; R238-E308 PolarHBondContact NH1-OE1 3.11Å; E308-D310 PolarHBondContact O-N 3.05Å; E308-T311 PolarHBondContact O-N 2.89Å; E308-T311 PolarHBondContact O-OG1 2.93Å; E308-W312 HydrophobicContact CG-CZ2 4.43Å; E308-W312 PolarHBondContact O-NE1 2.97Å; E308-W312 WeakPolarHBondContact OE1-CZ2 3.35Å
309	S	92.4	Very high	92.4	Very high	17 Å²	17	43.4 Å²	43.4	12%	0.119	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-66.6	-13.6	178.8	61.3	0	0	0	0	114.9	N111 D307 T311 W312	N111-S309 PolarHBondContact O-N 3.1Å; N111-S309 PolarHBondContact O-OG 3.26Å; D307-S309 VanDerWaalsContact C-N 3.29Å; D307-S309 PolarHBondContact O-N 3.09Å; S309-T311 PolarHBondContact O-N 3.23Å; S309-W312 PolarHBondContact O-N 3.43Å; S309-W312 VanDerWaalsContact O-N 3.16Å
310	D	91.9	Very high	92.2	Very high	79 Å²	79	43.1 Å²	43.1	42%	0.422	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-65.1	-23.1	179.1	-59.4	-22.2	0	0	0	111.4	F269 D307 E308	F269-D310 HydrophobicContact CE1-CB 3.74Å; F269-D310 HydrophobicContact CZ-CB 3.76Å; D307-D310 WeakPolarHBondContact CA-OD2 3.26Å; D307-D310 WeakPolarHBondContact CB-OD2 3.3Å; D307-D310 PolarHBondContact N-OD2 3.33Å; D307-D310 WeakPolarHBondContact O-CB 3.32Å; D307-D310 PolarHBondContact O-N 2.61Å; D307-D310 VanDerWaalsContact O-N 3.16Å; E308-D310 PolarHBondContact O-N 3.05Å
311	T	94.3	Very high	91.9	Very high	12 Å²	12	43 Å²	43	7%	0.074	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-97.3	0.3	178.7	63.3	0	0	0	0	114.2	T247 F269 F271 L290 E308 S309	T247-T311 HydrophobicContact CG2-CG2 3.46Å; T247-T311 VanDerWaalsContact CG2-CG2 3.46Å; F269-T311 HydrophobicContact CB-CG2 3.62Å; F269-T311 HydrophobicContact CD1-CG2 3.97Å; F269-T311 HydrophobicContact CD2-CG2 4.19Å; F269-T311 HydrophobicContact CG-CG2 3.66Å; F271-T311 HydrophobicContact CE1-CG2 3.93Å; F271-T311 HydrophobicContact CZ-CG2 3.88Å; L290-T311 HydrophobicContact CD2-CG2 3.8Å; E308-T311 PolarHBondContact O-N 2.89Å; E308-T311 PolarHBondContact O-OG1 2.93Å; S309-T311 PolarHBondContact O-N 3.23Å
312	W	95.5	Very high	90.4	Very high	21 Å²	21	43.4 Å²	43.4	8%	0.08	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-86.2	138.8	-173.8	-67.9	18.7	0	0	0	111.7	V80 Y82 I112 F121 L236 R238 E308 S309	V80-W312 HydrophobicContact CG1-CE3 4.47Å; V80-W312 HydrophobicContact CG1-CZ3 3.8Å; Y82-W312 HydrophobicContact CE2-CH2 4.16Å; Y82-W312 AromaticContact CE2-CZ3 3.55Å; Y82-W312 HydrophobicContact CE2-CZ3 3.55Å; Y82-W312 AromaticContact CZ-CZ3 3.89Å; Y82-W312 WeakPolarHBondContact OH-CH2 3.44Å; I112-W312 HydrophobicContact CD1-CH2 3.78Å; I112-W312 HydrophobicContact CD1-CZ2 4.14Å; I112-W312 HydrophobicContact CG1-CH2 4.19Å; I112-W312 HydrophobicContact CG1-CZ2 4.31Å; I112-W312 HydrophobicContact CG2-CH2 4.39Å; F121-W312 HydrophobicContact CE1-CH2 4.1Å; F121-W312 HydrophobicContact CE1-CZ3 4.43Å; F121-W312 AromaticContact CZ-CH2 3.67Å; F121-W312 HydrophobicContact CZ-CH2 3.67Å; F121-W312 HydrophobicContact CZ-CZ2 4.18Å; F121-W312 HydrophobicContact CZ-CZ3 4.34Å; L236-W312 HydrophobicContact CB-CE3 3.91Å; L236-W312 HydrophobicContact CD2-CB 4.2Å; L236-W312 HydrophobicContact CD2-CE3 4.12Å; R238-W312 HydrophobicContact CB-CG 4.31Å; E308-W312 HydrophobicContact CG-CZ2 4.43Å; E308-W312 PolarHBondContact O-NE1 2.97Å; E308-W312 WeakPolarHBondContact OE1-CZ2 3.35Å; S309-W312 PolarHBondContact O-N 3.43Å; S309-W312 VanDerWaalsContact O-N 3.16Å
313	V	96.2	Very high	88.2	Confident	22 Å²	22	47.1 Å²	47.1	13%	0.133	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	124.3	-176.1	-179.2	0	0	0	0	109.6	S49 R77 L236 S237 H315	S49-V313 VanDerWaalsContact O-CG2 3.27Å; S49-V313 WeakPolarHBondContact O-CG2 3.24Å; R77-V313 VanDerWaalsContact NH2-CG2 3.33Å; L236-V313 CarbonylContact C-O 3.56Å; L236-V313 VanDerWaalsContact CA-O 3.26Å; L236-V313 WeakPolarHBondContact CA-O 3.43Å; S237-V313 PolarHBondContact N-O 3.16Å; S237-V313 PolarHBondContact O-N 2.81Å; V313-H315 PolarHBondContact O-CD2 3.28Å; V313-H315 VanDerWaalsContact O-CD2 3.3Å
314	V	95.9	Very high	85.3	Confident	73 Å²	73	50.3 Å²	50.3	44%	0.442	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	127.5	174.3	179.3	0	0	0	0	109.8	G51 V234 L236	G51-V314 WeakPolarHBondContact CA-O 3.43Å; V234-V314 HydrophobicContact CG1-CG1 3.83Å; V234-V314 HydrophobicContact CG1-CG2 4.37Å; L236-V314 HydrophobicContact CD2-CG2 3.87Å; L236-V314 HydrophobicContact CG-CG2 4.27Å
315	H	94.9	Very high	82.3	Confident	22 Å²	22	53.1 Å²	53.1	10%	0.102	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	-23.8	178.7	-69.3	-91	0	0	0	113.3	V48 Y79 V129 L235 S237 V313	V48-H315 PolarHBondContact O-CE1 3.26Å; Y79-H315 AromaticContact CE1-CD2 3.79Å; Y79-H315 AromaticContact CE1-CE1 3.99Å; Y79-H315 AromaticContact CE1-NE2 3.72Å; V129-H315 WeakPolarHBondContact CG1-ND1 3.33Å; L235-H315 HydrophobicContact CB-CB 4.39Å; L235-H315 HydrophobicContact CD2-CB 4Å; L235-H315 HydrophobicContact CG-CB 4.16Å; L235-H315 PolarHBondContact O-N 3.14Å; S237-H315 PolarHBondContact OG-NE2 2.86Å; V313-H315 PolarHBondContact O-CD2 3.28Å; V313-H315 VanDerWaalsContact O-CD2 3.3Å
316	G	91.3	Very high	79.5	Confident	9 Å²	9	51.6 Å²	51.6	9%	0.093	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.7	147.9	177.7	0	0	0	0	0	110.7	V234 L235	V234-G316 VanDerWaalsContact CA-O 3.3Å; V234-G316 WeakPolarHBondContact CA-O 3.46Å; L235-G316 PolarHBondContact N-O 3.35Å
317	S	94.1	Very high	76.5	Confident	49 Å²	49	56.3 Å²	56.3	34%	0.343	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	106.5	178.4	172.8	0	0	0	0	108.5	A233	A233-S317 WeakPolarHBondContact O-CA 3.38Å
318	H	94.4	Very high	73.7	Confident	42 Å²	42	60.9 Å²	60.9	19%	0.194	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	132.1	-171.3	-54.2	-76.3	0	0	0	112.2	V140 L232 A233	V140-H318 HydrophobicContact CB-CB 4.12Å; V140-H318 HydrophobicContact CG1-CB 3.78Å; V140-H318 HydrophobicContact CG2-CB 4.1Å; L232-H318 WeakPolarHBondContact CA-O 3.4Å; A233-H318 PolarHBondContact N-O 3.18Å; A233-H318 PolarHBondContact O-N 3.14Å
319	S	91.2	Very high	71.1	Confident	35 Å²	35	65.7 Å²	65.7	25%	0.245	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	145.8	177.3	172.5	0	0	0	0	112.7	V140 D230 L321	V140-S319 WeakPolarHBondContact CG1-O 3.46Å; D230-S319 PolarHBondContact OD1-OG 3.01Å; D230-S319 WeakPolarHBondContact OD2-CB 3.29Å; D230-S319 PolarHBondContact OD2-OG 3.05Å; S319-L321 WeakPolarHBondContact OG-CB 3.49Å; S319-L321 PolarHBondContact OG-N 2.8Å
320	F	87.1	Confident	67.9	Low	4 Å²	4	68.2 Å²	68.2	2%	0.018	45%	0.447	C	S	.	.			trans	-86.5	-5.7	169.7	-66.2	-80.1	0	0	0	113.7	L83 V140 W143 G145 I147 F177 W231 A233	L83-F320 HydrophobicContact CD2-CE2 3.65Å; L83-F320 HydrophobicContact CD2-CZ 4.24Å; V140-F320 HydrophobicContact CB-CE1 4.41Å; V140-F320 HydrophobicContact CG1-CD1 4.05Å; V140-F320 HydrophobicContact CG1-CE1 4.01Å; V140-F320 HydrophobicContact CG1-CZ 4.5Å; V140-F320 HydrophobicContact CG2-CE1 4.22Å; V140-F320 HydrophobicContact CG2-CZ 4.21Å; W143-F320 HydrophobicContact CB-CD1 4.24Å; W143-F320 HydrophobicContact CB-CE1 3.93Å; G145-F320 PolarHBondContact N-O 2.9Å; I147-F320 HydrophobicContact CD1-CD1 3.8Å; I147-F320 HydrophobicContact CD1-CD2 3.7Å; I147-F320 HydrophobicContact CD1-CE1 3.81Å; I147-F320 HydrophobicContact CD1-CE2 3.74Å; I147-F320 HydrophobicContact CD1-CG 3.74Å; I147-F320 HydrophobicContact CD1-CZ 3.78Å; F177-F320 HydrophobicContact CD1-CZ 4.24Å; F177-F320 AromaticContact CD2-CE1 3.99Å; F177-F320 HydrophobicContact CD2-CE1 3.99Å; F177-F320 HydrophobicContact CD2-CZ 4.13Å; F177-F320 AromaticContact CE1-CZ 3.85Å; F177-F320 HydrophobicContact CE1-CZ 3.85Å; F177-F320 AromaticContact CE2-CE1 3.7Å; F177-F320 HydrophobicContact CE2-CE1 3.7Å; F177-F320 AromaticContact CE2-CZ 3.71Å; F177-F320 HydrophobicContact CE2-CZ 3.71Å; F177-F320 HydrophobicContact CG-CZ 4.39Å; F177-F320 HydrophobicContact CZ-CE1 4.07Å; F177-F320 AromaticContact CZ-CZ 3.58Å; F177-F320 HydrophobicContact CZ-CZ 3.58Å; W231-F320 HydrophobicContact CB-CD2 4.45Å; W231-F320 VanDerWaalsContact O-CD2 3.25Å; W231-F320 WeakPolarHBondContact O-CD2 3.46Å; A233-F320 HydrophobicContact CB-CE2 3.95Å; A233-F320 HydrophobicContact CB-CZ 3.97Å
321	L	83.1	Confident	64.8	Low	78 Å²	78	72.1 Å²	72.1	41%	0.408	47%	0.467	S	S	.	.	S	Bend	trans	-68.9	148.9	174.7	-74.7	177.9	0	0	0	112.9	M149 D230 S319 C323	M149-L321 HydrophobicContact CE-CD2 3.69Å; M149-L321 HydrophobicContact CE-CG 3.9Å; M149-L321 HydrophobicContact SD-CD2 3.51Å; M149-L321 VanDerWaalsContact SD-CD2 3.51Å; M149-L321 HydrophobicContact SD-CG 4.18Å; D230-L321 HydrophobicContact CB-CD1 3.69Å; D230-L321 HydrophobicContact CB-CG 4.03Å; S319-L321 WeakPolarHBondContact OG-CB 3.49Å; S319-L321 PolarHBondContact OG-N 2.8Å; L321-C323 PolarHBondContact O-N 2.82Å
322	N	58	Low	61.8	Low	122 Å²	122	77 Å²	77	65%	0.652	50%	0.5	S	S	*	.			trans	-82	85.6	167.5	-80.5	-19.4	0	0	0	110.9	A324	N322-A324 VanDerWaalsContact C-N 3.31Å; N322-A324 PolarHBondContact O-N 2.9Å; N322-A324 VanDerWaalsContact O-N 3.13Å
323	C	42.3	Very low	58.5	Low	114 Å²	114	85.3 Å²	85.3	77%	0.77	54%	0.542	S	S	*	.			trans	-74.6	90.8	151.5	-81.1	0	0	0	0	109	L321	L321-C323 PolarHBondContact O-N 2.82Å
324	A	33.4	Very low	55.2	Low	88 Å²	88	88.3 Å²	88.3	73%	0.727	58%	0.577	S	S	*	*			trans	-85.3	111.1	158.7	0	0	0	0	0	107.8	N322 P326	N322-A324 VanDerWaalsContact C-N 3.31Å; N322-A324 PolarHBondContact O-N 2.9Å; N322-A324 VanDerWaalsContact O-N 3.13Å; A324-P326 WeakPolarHBondContact O-CD 3.39Å
325	S	27.8	Very low	51.7	Low	107 Å²	107	88 Å²	88	75%	0.748	59%	0.588	S	S	*	*			trans	-85.9	111	173.9	-49.3	0	0	0	0	109.7	S327	S325-S327 PolarHBondContact O-N 3.29Å
326	P	32.6	Very low	48.5	Very low	122 Å²	122	95.2 Å²	95.2	79%	0.792	63%	0.626	S	S	*	*			trans	-79.6	103.6	169	31.6	-30.7	0	0	0	108.9	A324 P328	A324-P326 WeakPolarHBondContact O-CD 3.39Å; P326-P328 WeakPolarHBondContact O-CD 3.38Å
327	S	28.3	Very low	45.5	Very low	110 Å²	110	102.4 Å²	102.4	77%	0.769	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-81.4	123.8	170	46.3	0	0	0	0	110.7	S325	S325-S327 PolarHBondContact O-N 3.29Å
328	P	31.8	Very low	42.2	Very low	113 Å²	113	109.9 Å²	109.9	73%	0.734	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-75.3	145.9	161.7	31.6	-31.7	0	0	0	109.5	P326	P326-P328 WeakPolarHBondContact O-CD 3.38Å
329	P	35.8	Very low	39.1	Very low	140 Å²	140	113.7 Å²	113.7	91%	0.909	71%	0.71	S	S	*	*	S	Bend	trans	-81.2	126.4	-176.2	31.1	-33.4	0	0	0	112.2
330	G	27	Very low	36.1	Very low	70 Å²	70	114.7 Å²	114.7	72%	0.722	73%	0.727	S	S	*	*			trans	126.4	82.6	154.6	0	0	0	0	0	118
331	N	25	Very low	33.2	Very low	161 Å²	161	122.3 Å²	122.3	86%	0.861	76%	0.762	S	S	*	*				-172	143.1	120.2	-109.7	-22	0	0	0	111.8	M333	N331-M333 PolarHBondContact O-N 2.86Å
332	P	33.3	Very low	30.8	Very low	115 Å²	115	124.3 Å²	124.3	75%	0.747	77%	0.773	S	S	*	*			trans	-90.9	88.4	-175.2	35.1	-32.6	0	0	0	112.1
333	M	25.7	Very low	29.7	Very low	196 Å²	196	122.9 Å²	122.9	97%	0.966	77%	0.765	S	S	*	*			trans	-155.2	56.7	164	-140.4	71.4	160.7	0	0	110	N331	N331-M333 PolarHBondContact O-N 2.86Å
334	G	25.6	Very low	29.2	Very low	85 Å²	85	121.3 Å²	121.3	88%	0.876	75%	0.749	S	S	*	*			trans	-105	124.7	-170.4	0	0	0	0	0	113.8
335	G	23.3	Very low	29.1	Very low	65 Å²	65	119.7 Å²	119.7	67%	0.67	73%	0.733	S	S	*	*			trans	-153.4	79.6	175.9	0	0	0	0	0	111.9
336	L	27.5	Very low	29.5	Very low	174 Å²	174	120.8 Å²	120.8	91%	0.911	73%	0.729	S	S	*	*			trans	28.4	92.6	158.5	-63.6	166.7	0	0	0	117.7
337	L	28.2	Very low	29.7	Very low	161 Å²	161	120.6 Å²	120.6	84%	0.843	72%	0.721	S	S	*	*			trans	-132.2	75.1	165.2	-75.4	175.2	0	0	0	111
338	F	25.9	Very low	29.8	Very low	205 Å²	205	120.8 Å²	120.8	90%	0.899	71%	0.713	S	S	*	*			trans	-168.7	137.9	165.5	-86.3	-74.2	0	0	0	105.6
339	D	27.7	Very low	29.7	Very low	122 Å²	122	120 Å²	120	65%	0.652	71%	0.711	S	S	*	*	S	Bend	cis	-148.9	82.8	-0.5	-178.9	15.3	0	0	0	108.1
340	G	28.1	Very low	29.9	Very low	57 Å²	57	118.6 Å²	118.6	59%	0.588	70%	0.695	S	S	*	*	S	Bend	trans	-113.8	-15.9	-172.2	0	0	0	0	0	115.5
341	Q	27.7	Very low	30.3	Very low	164 Å²	164	121 Å²	121	77%	0.766	69%	0.689	S	S	*	*	H	α-helix	trans	-93.4	-12.6	-169.9	-70.2	-171.7	-56.9	0	0	114.8	S345	Q341-S345 WeakPolarHBondContact O-CB 3.47Å; Q341-S345 PolarHBondContact O-N 2.93Å; Q341-S345 VanDerWaalsContact O-N 3.07Å; Q341-S345 PolarHBondContact O-OG 3.3Å
342	L	31.2	Very low	30.4	Very low	119 Å²	119	117 Å²	117	62%	0.623	67%	0.668	S	S	*	*	H	α-helix	trans	-78.1	-18.4	-179.7	-71.1	175.3	0	0	0	114.1
343	N	35.2	Very low	30.4	Very low	93 Å²	93	117.2 Å²	117.2	50%	0.497	67%	0.669	S	S	.	*	H	α-helix	trans	-87.2	-39.2	170.3	-100	-20	0	0	0	112.1
344	D	33.2	Very low	30.6	Very low	80 Å²	80	112 Å²	112	43%	0.428	65%	0.651	S	S	.	*	H	α-helix	trans	-67	-39.9	176.9	-78.9	-16.6	0	0	0	111.1	L346 L347 D348	D344-L346 VanDerWaalsContact C-N 3.27Å; D344-L346 PolarHBondContact O-N 2.85Å; D344-L346 VanDerWaalsContact O-N 3.17Å; D344-L347 PolarHBondContact O-N 3.08Å; D344-D348 PolarHBondContact O-N 3.32Å
345	S	29.5	Very low	30.9	Very low	55 Å²	55	112.4 Å²	112.4	39%	0.385	64%	0.641	S	S	.	*	H	α-helix	trans	-63.3	-27.2	-177.4	72.1	0	0	0	0	114.7	Q341 S349	Q341-S345 WeakPolarHBondContact O-CB 3.47Å; Q341-S345 PolarHBondContact O-N 2.93Å; Q341-S345 VanDerWaalsContact O-N 3.07Å; Q341-S345 PolarHBondContact O-OG 3.3Å; S345-S349 VanDerWaalsContact O-CB 3.24Å; S345-S349 WeakPolarHBondContact O-CB 3.43Å; S345-S349 PolarHBondContact O-N 3.18Å; S345-S349 PolarHBondContact O-OG 2.94Å
346	L	37.1	Very low	31.4	Very low	129 Å²	129	116.9 Å²	116.9	68%	0.675	65%	0.649	S	S	*	*	H	α-helix	trans	-85.2	-12.6	175.3	-80.3	168.8	0	0	0	113.6	D344	D344-L346 VanDerWaalsContact C-N 3.27Å; D344-L346 PolarHBondContact O-N 2.85Å; D344-L346 VanDerWaalsContact O-N 3.17Å
347	L	35.9	Very low	31.7	Very low	119 Å²	119	115.2 Å²	115.2	62%	0.623	65%	0.646	S	S	*	*	H	α-helix	trans	-95.7	-43	173.4	-140.9	75.9	0	0	0	111.1	D344 S349 L350	D344-L347 PolarHBondContact O-N 3.08Å; L347-S349 VanDerWaalsContact C-N 3.33Å; L347-S349 PolarHBondContact O-N 3.44Å; L347-L350 WeakPolarHBondContact O-CB 3.41Å; L347-L350 PolarHBondContact O-N 2.93Å; L347-L350 VanDerWaalsContact O-N 3.11Å
348	D	31.2	Very low	32	Very low	113 Å²	113	110.6 Å²	110.6	60%	0.604	64%	0.638	S	S	*	*	H	α-helix	trans	-63.9	-35	174.2	-86.7	-16.3	0	0	0	112.4	D344 L350 M351	D344-D348 PolarHBondContact O-N 3.32Å; D348-L350 PolarHBondContact O-N 2.92Å; D348-M351 PolarHBondContact O-N 3.23Å
349	S	30.7	Very low	32.2	Very low	98 Å²	98	109.1 Å²	109.1	69%	0.685	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-0.3	174.1	-63.1	0	0	0	0	114	S345 L347	S345-S349 VanDerWaalsContact O-CB 3.24Å; S345-S349 WeakPolarHBondContact O-CB 3.43Å; S345-S349 PolarHBondContact O-N 3.18Å; S345-S349 PolarHBondContact O-OG 2.94Å; L347-S349 VanDerWaalsContact C-N 3.33Å; L347-S349 PolarHBondContact O-N 3.44Å
350	L	38.3	Very low	32.1	Very low	109 Å²	109	110.6 Å²	110.6	57%	0.571	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.5	-3.9	173.7	-58.4	171.1	0	0	0	113.1	L347 D348	L347-L350 WeakPolarHBondContact O-CB 3.41Å; L347-L350 PolarHBondContact O-N 2.93Å; L347-L350 VanDerWaalsContact O-N 3.11Å; D348-L350 PolarHBondContact O-N 2.92Å
351	M	36.8	Very low	32.1	Very low	121 Å²	121	112.7 Å²	112.7	60%	0.596	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.5	-1.7	-169.1	-67.9	-64.5	163.7	0	0	116.1	D348 P353	D348-M351 PolarHBondContact O-N 3.23Å; M351-P353 WeakPolarHBondContact O-CD 3.22Å
352	D	25.8	Very low	32.2	Very low	78 Å²	78	110.8 Å²	110.8	42%	0.417	65%	0.65	S	S	.	*			trans	-100	114	174.8	176.1	37.2	0	0	0	113.4	S354 S355	D352-S354 VanDerWaalsContact OD1-CB 3.29Å; D352-S354 WeakPolarHBondContact OD1-CB 3.46Å; D352-S354 PolarHBondContact OD1-N 3.2Å; D352-S354 PolarHBondContact OD1-OG 3.09Å; D352-S354 PolarHBondContact OD2-OG 2.79Å; D352-S355 WeakPolarHBondContact OD2-CB 3.43Å; D352-S355 PolarHBondContact OD2-N 2.91Å; D352-S355 PolarHBondContact OD2-OG 2.9Å
353	P	33.7	Very low	32	Very low	118 Å²	118	113.3 Å²	113.3	77%	0.766	66%	0.661	S	S	*	*			trans	-85.7	-2.8	171.8	33.3	-33.5	0	0	0	114.5	M351	M351-P353 WeakPolarHBondContact O-CD 3.22Å
354	S	31.2	Very low	31.7	Very low	86 Å²	86	117.4 Å²	117.4	60%	0.601	68%	0.677	S	S	*	*	S	Bend	trans	-91.2	-13.7	-169.3	72.8	0	0	0	0	115.7	D352	D352-S354 VanDerWaalsContact OD1-CB 3.29Å; D352-S354 WeakPolarHBondContact OD1-CB 3.46Å; D352-S354 PolarHBondContact OD1-N 3.2Å; D352-S354 PolarHBondContact OD1-OG 3.09Å; D352-S354 PolarHBondContact OD2-OG 2.79Å
355	S	31.5	Very low	31.6	Very low	94 Å²	94	119.7 Å²	119.7	66%	0.657	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	6.4	-175.5	39.6	0	0	0	0	116.1	D352 T357	D352-S355 WeakPolarHBondContact OD2-CB 3.43Å; D352-S355 PolarHBondContact OD2-N 2.91Å; D352-S355 PolarHBondContact OD2-OG 2.9Å; S355-T357 PolarHBondContact O-N 2.87Å
356	L	33.8	Very low	31.5	Very low	159 Å²	159	122.7 Å²	122.7	83%	0.832	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.7	7.9	178.3	-83.8	170	0	0	0	115.7	G358	L356-G358 PolarHBondContact O-N 3.07Å
357	T	33.1	Very low	31	Very low	139 Å²	139	128 Å²	128	85%	0.853	72%	0.723	S	S	*	*	S	Bend	trans	-92.5	80.2	177.9	35	0	0	0	0	113.2	S355	S355-T357 PolarHBondContact O-N 2.87Å
358	G	34	Very low	30.6	Very low	65 Å²	65	126.5 Å²	126.5	67%	0.67	73%	0.728	S	S	*	*	S	Bend	trans	123.9	82.9	158.8	0	0	0	0	0	115.2	L356	L356-G358 PolarHBondContact O-N 3.07Å
359	L	30.3	Very low	30.4	Very low	174 Å²	174	126.5 Å²	126.5	91%	0.911	73%	0.732	S	S	*	*			trans	179	62	141.9	-97.4	171.8	0	0	0	110.1
360	L	25.1	Very low	30.5	Very low	153 Å²	153	128.7 Å²	128.7	80%	0.801	74%	0.741	S	S	*	*			trans	-107.4	119.2	166.1	-77.6	171	0	0	0	109.3
361	P	29.3	Very low	30.1	Very low	101 Å²	101	131 Å²	131	66%	0.656	75%	0.749	S	S	*	*			trans	-62.8	151.5	160	-10.6	25.6	0	0	0	109	M363	P361-M363 PolarHBondContact O-N 3.39Å
362	P	29.4	Very low	30.5	Very low	123 Å²	123	131.5 Å²	131.5	80%	0.799	77%	0.765	S	S	*	*			trans	-63	109.6	176.7	26.2	-33.4	0	0	0	109.8	Q364	P362-Q364 PolarHBondContact O-N 3.23Å
363	M	27.2	Very low	31.1	Very low	173 Å²	173	132.1 Å²	132.1	85%	0.852	78%	0.775	S	S	*	*			trans	-64.9	102	174.9	-77.9	-174	66.1	0	0	109.5	P361 V365	P361-M363 PolarHBondContact O-N 3.39Å; M363-V365 PolarHBondContact O-N 3Å
364	Q	28.4	Very low	31.8	Very low	178 Å²	178	130 Å²	130	83%	0.832	76%	0.763	S	S	*	*			trans	-66	124.5	166.2	-71.7	-177.3	-15.5	0	0	108.9	P362	P362-Q364 PolarHBondContact O-N 3.23Å
365	V	30.9	Very low	33	Very low	129 Å²	129	130.1 Å²	130.1	78%	0.782	76%	0.764	S	S	*	*			trans	-55	127.3	173.4	-177.7	0	0	0	0	108.9	M363 R367	M363-V365 PolarHBondContact O-N 3Å; V365-R367 PolarHBondContact O-N 3.42Å
366	P	27.2	Very low	35.3	Very low	118 Å²	118	130.4 Å²	130.4	77%	0.766	75%	0.753	S	S	*	*			trans	-60	112.2	174.3	-22.4	33.4	0	0	0	109.6	A368	P366-A368 PolarHBondContact O-N 3.11Å
367	R	27.9	Very low	37.9	Very low	239 Å²	239	123 Å²	123	90%	0.902	71%	0.714	S	S	*	*			trans	-68.7	102	177.5	-169.3	176	-171.8	164.1	2.2	108.1	V365 T369	V365-R367 PolarHBondContact O-N 3.42Å; R367-T369 PolarHBondContact O-N 3.37Å
368	A	28.1	Very low	40.9	Very low	89 Å²	89	120.6 Å²	120.6	74%	0.736	69%	0.689	S	S	*	*			trans	-52.1	124.1	-177	0	0	0	0	0	111.1	P366	P366-A368 PolarHBondContact O-N 3.11Å
369	T	26.1	Very low	43.9	Very low	113 Å²	113	117.5 Å²	117.5	69%	0.693	66%	0.657	S	S	*	*			trans	-67.9	131	171.2	41.7	0	0	0	0	109.1	R367 H371	R367-T369 PolarHBondContact O-N 3.37Å; T369-H371 PolarHBondContact O-N 2.89Å
370	T	33.8	Very low	47.2	Very low	143 Å²	143	109.3 Å²	109.3	88%	0.877	62%	0.615	S	S	*	*			trans	-70	90.3	-179	47.7	0	0	0	0	110.9
371	H	29.2	Very low	50.7	Low	159 Å²	159	102 Å²	102	74%	0.736	58%	0.577	S	S	*	*			trans	-96.2	125.1	160.1	-70	-80.1	0	0	0	108.9	T369 S373	T369-H371 PolarHBondContact O-N 2.89Å; H371-S373 PolarHBondContact O-N 3.15Å
372	S	44.2	Very low	53.9	Low	131 Å²	131	97.2 Å²	97.2	92%	0.916	55%	0.545	S	S	*	.			trans	-67.7	110	175.9	51.7	0	0	0	0	110.3
373	S	38.4	Very low	57.2	Low	90 Å²	90	93.7 Å²	93.7	63%	0.629	52%	0.516	S	S	*	.			trans	-126.3	152.8	168.8	76.5	0	0	0	0	111.2	H371	H371-S373 PolarHBondContact O-N 3.15Å
374	S	50.1	Low	60.7	Low	75 Å²	75	85.6 Å²	85.6	52%	0.524	48%	0.476	S	S	.	.			trans	-50.4	147.8	168.6	40.7	0	0	0	0	111.9	K376	S374-K376 PolarHBondContact O-N 3.39Å
375	S	54.8	Low	63.9	Low	87 Å²	87	77.1 Å²	77.1	61%	0.608	44%	0.436	S	S	*	.			trans	-64.5	113.3	177.8	50.5	0	0	0	0	110.6
376	K	80	Confident	67.1	Low	100 Å²	100	72.1 Å²	72.1	44%	0.435	41%	0.405	S	S	.	.			trans	-76.3	127.2	178.3	-58.3	-178.4	-174.4	179.7	0	110.1	S374	S374-K376 PolarHBondContact O-N 3.39Å
377	M	89.8	Confident	70.4	Confident	3 Å²	3	68.6 Å²	68.6	2%	0.015	38%	0.376	C	S	.	.			trans	-73.3	142.3	173.6	-67.5	-66.2	-68.2	0	0	110.8	L554 C557 K558 G561 T562 V564 E608 W615	M377-L554 HydrophobicContact CE-CD2 4.38Å; M377-C557 HydrophobicContact CE-CB 4.02Å; M377-K558 HydrophobicContact CE-CB 4.44Å; M377-K558 HydrophobicContact CG-CG 4.33Å; M377-K558 HydrophobicContact SD-CB 4.4Å; M377-K558 HydrophobicContact SD-CG 4.39Å; M377-G561 VanDerWaalsContact SD-O 3.34Å; M377-T562 CarbonylContact C-O 3.42Å; M377-T562 WeakPolarHBondContact CA-O 3.41Å; M377-V564 HydrophobicContact CE-CG2 4.48Å; M377-E608 HydrophobicContact CB-CB 3.99Å; M377-E608 WeakPolarHBondContact CG-OE2 3.45Å; M377-E608 PolarHBondContact O-N 3.01Å; M377-W615 HydrophobicContact CB-CH2 3.5Å; M377-W615 HydrophobicContact CB-CZ2 3.77Å; M377-W615 HydrophobicContact CB-CZ3 4.48Å
378	R	94.8	Very high	73.6	Confident	89 Å²	89	57.3 Å²	57.3	34%	0.336	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	132	175.3	-93.4	-177.5	-86.2	-149.7	8.5	110.5	T562 T563 V564 E607	R378-T562 PolarHBondContact N-O 3.35Å; R378-T563 HydrophobicContact CB-CG2 3.97Å; R378-T563 WeakPolarHBondContact O-CA 3.39Å; R378-V564 PolarHBondContact O-N 3.08Å; R378-E607 VanDerWaalsContact CD-OE1 3.31Å; R378-E607 WeakPolarHBondContact CD-OE1 3.41Å; R378-E607 HydrophobicContact CG-CG 3.51Å; R378-E607 IonicContact NE-OE1 3.29Å; R378-E607 IonicContact NH1-OE1 3.1Å
379	L	97.5	Very high	76.5	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	121	171.5	175.5	64.7	0	0	0	108.9	V381 T550 L554 V564 I566 T577 A605 C606 W615	L379-V381 HydrophobicContact CD1-CG2 4.3Å; L379-V381 HydrophobicContact CD2-CG2 4.16Å; L379-V381 HydrophobicContact CG-CG2 3.99Å; L379-T550 HydrophobicContact CD1-CG2 4.48Å; L379-T550 HydrophobicContact CD2-CG2 3.63Å; L379-L554 HydrophobicContact CB-CD2 4.34Å; L379-L554 HydrophobicContact CD1-CD2 4.46Å; L379-L554 HydrophobicContact CD2-CD1 4.37Å; L379-V564 HydrophobicContact CD1-CB 4.23Å; L379-V564 HydrophobicContact CD1-CG1 4.19Å; L379-I566 HydrophobicContact CD1-CD1 3.82Å; L379-I566 HydrophobicContact CD1-CG1 4.03Å; L379-T577 HydrophobicContact CD2-CG2 4.45Å; L379-A605 CarbonylContact O-C 3.54Å; L379-C606 HydrophobicContact CB-CB 4.28Å; L379-C606 PolarHBondContact N-O 2.99Å; L379-C606 PolarHBondContact O-N 3Å; L379-W615 HydrophobicContact CB-CH2 4.33Å; L379-W615 HydrophobicContact CB-CZ3 3.71Å
380	F	98.6	Very high	79.3	Confident	3 Å²	3	53.6 Å²	53.6	1%	0.013	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137.7	167.3	-57.5	-43.7	0	0	0	109.7	T454 I456 T563 V564 L565 I566 F603 C604 A605 P621	F380-T454 HydrophobicContact CE2-CG2 3.48Å; F380-T454 VanDerWaalsContact CE2-CG2 3.48Å; F380-T454 HydrophobicContact CZ-CG2 3.78Å; F380-I456 HydrophobicContact CD2-CD1 3.61Å; F380-I456 HydrophobicContact CE2-CD1 3.66Å; F380-T563 HydrophobicContact CD2-CG2 3.78Å; F380-T563 HydrophobicContact CE2-CG2 3.33Å; F380-T563 HydrophobicContact CZ-CG2 4.09Å; F380-V564 PolarHBondContact N-O 2.98Å; F380-L565 HydrophobicContact CB-CD1 3.74Å; F380-I566 PolarHBondContact O-N 2.84Å; F380-F603 HydrophobicContact CB-CE1 3.79Å; F380-F603 HydrophobicContact CB-CE2 4.39Å; F380-F603 HydrophobicContact CB-CZ 3.54Å; F380-F603 AromaticContact CD1-CE1 3.69Å; F380-F603 HydrophobicContact CD1-CE1 3.69Å; F380-F603 HydrophobicContact CD1-CZ 4.04Å; F380-F603 HydrophobicContact CD2-CZ 4.08Å; F380-F603 HydrophobicContact CE1-CE1 4.44Å; F380-F603 AromaticContact CG-CE1 3.77Å; F380-F603 HydrophobicContact CG-CE1 3.77Å; F380-F603 AromaticContact CG-CZ 3.63Å; F380-F603 HydrophobicContact CG-CZ 3.63Å; F380-C604 WeakPolarHBondContact CA-O 3.24Å; F380-A605 HydrophobicContact CD1-CB 3.6Å; F380-A605 HydrophobicContact CE1-CB 3.65Å; F380-P621 HydrophobicContact CE1-CG 4.09Å; F380-P621 HydrophobicContact CZ-CG 3.81Å
381	V	98.8	Very high	81.6	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	126.8	173.9	-169.6	0	0	0	0	108.6	L379 I566 L573 C576 T577 F603 C604	L379-V381 HydrophobicContact CD1-CG2 4.3Å; L379-V381 HydrophobicContact CD2-CG2 4.16Å; L379-V381 HydrophobicContact CG-CG2 3.99Å; V381-I566 WeakPolarHBondContact CA-O 3.35Å; V381-I566 HydrophobicContact CG1-CB 4.25Å; V381-I566 HydrophobicContact CG1-CG2 3.98Å; V381-I566 HydrophobicContact CG2-CB 4.3Å; V381-L573 HydrophobicContact CG1-CD1 4.34Å; V381-L573 HydrophobicContact CG1-CG 4.3Å; V381-C576 HydrophobicContact CG2-CB 4.26Å; V381-T577 HydrophobicContact CG2-CG2 3.93Å; V381-F603 WeakPolarHBondContact O-CA 3.16Å; V381-C604 PolarHBondContact N-O 3.44Å; V381-C604 PolarHBondContact O-N 3.5Å
382	C	98.1	Very high	84.2	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	147.9	178.4	69.2	0	0	0	0	113.1	I566 A568 G602 F603	C382-I566 PolarHBondContact N-O 2.9Å; C382-A568 PolarHBondContact O-N 2.99Å; C382-G602 CarbonylContact C-O 3.35Å; C382-G602 VanDerWaalsContact CA-O 3.25Å; C382-G602 WeakPolarHBondContact CA-O 3.46Å; C382-F603 HydrophobicContact CB-CB 4.41Å; C382-F603 HydrophobicContact CB-CD2 3.63Å; C382-F603 HydrophobicContact CB-CE2 4.28Å; C382-F603 HydrophobicContact CB-CG 4.24Å
383	R	98.7	Very high	85.9	Confident	48 Å²	48	38.8 Å²	38.8	18%	0.181	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	144.6	170.6	-171.6	-175.9	-174.4	-176	-4.4	109.9	A570 L573 I598 P599 L601 G602	R383-A570 HydrophobicContact CG-CB 4.33Å; R383-L573 HydrophobicContact CB-CD1 4.37Å; R383-I598 HydrophobicContact CB-CG2 4.34Å; R383-I598 PolarHBondContact NH1-O 2.79Å; R383-P599 WeakPolarHBondContact CD-O 3.49Å; R383-L601 WeakPolarHBondContact O-CA 3.28Å; R383-L601 PolarHBondContact O-N 3.48Å; R383-G602 PolarHBondContact N-O 3.25Å
384	H	98.8	Very high	87.9	Confident	3 Å²	3	43 Å²	43	1%	0.014	23%	0.226	C	C	.	.			trans	-52.4	161	166.4	66.3	67.2	0	0	0	113.3	R387 R466 T470 A568 H569 Y600 L601	H384-R387 WeakPolarHBondContact CE1-CD 3.47Å; H384-R466 HydrophobicContact CB-CB 4.35Å; H384-R466 HydrophobicContact CB-CG 4.21Å; H384-R466 PolarHBondContact CD2-NE 3.42Å; H384-R466 VanDerWaalsContact CD2-NE 3.32Å; H384-R466 PolarHBondContact NE2-NE 3.36Å; H384-R466 VanDerWaalsContact NE2-NE 3.2Å; H384-T470 WeakPolarHBondContact CA-OG1 3.48Å; H384-T470 WeakPolarHBondContact CB-OG1 3.3Å; H384-A568 PolarHBondContact CD2-O 2.88Å; H384-A568 PolarHBondContact N-O 3.2Å; H384-H569 AromaticContact CD2-ND1 3.75Å; H384-Y600 AromaticContact CE1-CE1 3.9Å; H384-L601 PolarHBondContact O-N 3.03Å
385	G	97.2	Very high	89.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.225	C	C	.	.			trans	-70.5	176.6	175.1	0	0	0	0	0	115	R387 T470 Y600	G385-R387 PolarHBondContact O-N 3.42Å; G385-T470 PolarHBondContact N-OG1 3.2Å; G385-Y600 WeakPolarHBondContact O-CD1 3.45Å
386	E	98.1	Very high	91	Very high	25 Å²	25	40.9 Å²	40.9	12%	0.117	20%	0.197	C	C	.	.			trans	-49.3	133.6	177.1	-177.3	-173.8	-93	0	0	112.4	V391 N413 I434 T435 F437 Y600	E386-V391 VanDerWaalsContact CD-CG2 3.43Å; E386-V391 HydrophobicContact CG-CG2 3.53Å; E386-N413 PolarHBondContact OE2-ND2 3.31Å; E386-I434 CarbonylContact O-C 3.54Å; E386-I434 WeakPolarHBondContact O-CA 3.43Å; E386-I434 VanDerWaalsContact O-CB 3.3Å; E386-I434 WeakPolarHBondContact O-CB 3.42Å; E386-T435 WeakPolarHBondContact CB-OG1 3.35Å; E386-T435 HydrophobicContact CG-CG2 4.07Å; E386-T435 PolarHBondContact O-N 3.13Å; E386-T435 PolarHBondContact O-OG1 3.17Å; E386-T435 WeakPolarHBondContact OE2-CB 3.43Å; E386-T435 WeakPolarHBondContact OE2-CG2 3.32Å; E386-T435 PolarHBondContact OE2-OG1 2.94Å; E386-F437 WeakPolarHBondContact OE2-CB 3.16Å; E386-Y600 HydrophobicContact CB-CD2 3.87Å; E386-Y600 HydrophobicContact CB-CE2 3.94Å; E386-Y600 HydrophobicContact CB-CG 4.29Å; E386-Y600 HydrophobicContact CG-CD2 4.28Å; E386-Y600 HydrophobicContact CG-CE2 3.9Å
387	R	96.4	Very high	91.4	Very high	44 Å²	44	36.6 Å²	36.6	17%	0.166	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-100.8	142.9	-172.4	-68	165.2	55.4	152.6	-3.2	112.5	H384 G385 D389 V390 V391 C432 R466 Y600	H384-R387 WeakPolarHBondContact CE1-CD 3.47Å; G385-R387 PolarHBondContact O-N 3.42Å; R387-D389 VanDerWaalsContact C-N 3.32Å; R387-D389 WeakPolarHBondContact CB-OD1 3.15Å; R387-D389 IonicContact CZ-OD1 3.98Å; R387-D389 IonicContact CZ-OD2 3.66Å; R387-D389 IonicContact NE-OD1 3.26Å; R387-D389 PolarHBondContact NE-OD1 3.38Å; R387-D389 IonicContact NE-OD2 3.23Å; R387-D389 IonicContact NH2-OD1 3.54Å; R387-D389 PolarHBondContact NH2-OD1 3.3Å; R387-D389 IonicContact NH2-OD2 3.8Å; R387-D389 PolarHBondContact NH2-OD2 2.93Å; R387-D389 PolarHBondContact O-N 3.24Å; R387-V390 HydrophobicContact CB-CB 4.45Å; R387-V390 HydrophobicContact CB-CG2 4.13Å; R387-V390 PolarHBondContact O-N 3.44Å; R387-V391 PolarHBondContact O-N 2.99Å; R387-C432 PolarHBondContact NE-SG 3.14Å; R387-C432 VanDerWaalsContact NE-SG 3.41Å; R387-R466 VanDerWaalsContact NH1-CZ 3.34Å; R387-Y600 HydrophobicContact CG-CE1 4.33Å
388	M	94.1	Very high	91.3	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.005	21%	0.211	C	C	.	.	H	α-helix	trans	-56.2	-42.5	176.6	-157.3	59.4	48.4	0	0	113.8	F392 W396 M414 P415 P433 I434 T435	M388-F392 HydrophobicContact CG-CD2 4.16Å; M388-F392 WeakPolarHBondContact O-CB 3.27Å; M388-F392 WeakPolarHBondContact O-CD2 3.29Å; M388-F392 PolarHBondContact O-N 2.99Å; M388-F392 HydrophobicContact SD-CD2 3.43Å; M388-F392 WeakPolarHBondContact SD-CD2 3.31Å; M388-F392 HydrophobicContact SD-CE2 3.5Å; M388-F392 WeakPolarHBondContact SD-CE2 3.44Å; M388-W396 HydrophobicContact CB-CD2 4.17Å; M388-W396 HydrophobicContact CB-CE3 4.13Å; M388-W396 HydrophobicContact CB-CH2 4.4Å; M388-W396 HydrophobicContact CB-CZ2 4.45Å; M388-W396 HydrophobicContact CB-CZ3 4.26Å; M388-W396 HydrophobicContact CG-CD2 3.67Å; M388-W396 HydrophobicContact CG-CE3 3.24Å; M388-W396 HydrophobicContact CG-CG 4.31Å; M388-W396 HydrophobicContact CG-CH2 4.14Å; M388-W396 HydrophobicContact CG-CZ2 4.49Å; M388-W396 HydrophobicContact CG-CZ3 3.52Å; M388-M414 HydrophobicContact SD-CB 4.24Å; M388-M414 HydrophobicContact SD-CG 3.76Å; M388-P415 HydrophobicContact CE-CG 4.24Å; M388-P433 HydrophobicContact CB-CG 3.97Å; M388-P433 HydrophobicContact CE-CG 4.21Å; M388-P433 HydrophobicContact CG-CG 4.28Å; M388-P433 PolarHBondContact N-O 2.89Å; M388-P433 VanDerWaalsContact N-O 3.09Å; M388-I434 WeakPolarHBondContact CE-O 3.4Å; M388-T435 HydrophobicContact CE-CG2 3.77Å; M388-T435 HydrophobicContact SD-CG2 4.29Å
389	D	88.8	Confident	90.8	Very high	35 Å²	35	41.4 Å²	41.4	19%	0.187	21%	0.213	C	C	.	.	H	α-helix	trans	-76.8	-22.2	-173.5	65.5	-30	0	0	0	114	R387 G393 W396 C432	R387-D389 VanDerWaalsContact C-N 3.32Å; R387-D389 WeakPolarHBondContact CB-OD1 3.15Å; R387-D389 IonicContact CZ-OD1 3.98Å; R387-D389 IonicContact CZ-OD2 3.66Å; R387-D389 IonicContact NE-OD1 3.26Å; R387-D389 PolarHBondContact NE-OD1 3.38Å; R387-D389 IonicContact NE-OD2 3.23Å; R387-D389 IonicContact NH2-OD1 3.54Å; R387-D389 PolarHBondContact NH2-OD1 3.3Å; R387-D389 IonicContact NH2-OD2 3.8Å; R387-D389 PolarHBondContact NH2-OD2 2.93Å; R387-D389 PolarHBondContact O-N 3.24Å; D389-G393 CarbonylContact O-C 3.57Å; D389-G393 WeakPolarHBondContact O-CA 3.36Å; D389-G393 PolarHBondContact O-N 2.82Å; D389-W396 VanDerWaalsContact CA-CD1 3.5Å; D389-W396 VanDerWaalsContact CB-CD1 3.49Å; D389-W396 HydrophobicContact CB-CG 4.41Å; D389-C432 HydrophobicContact CB-CB 4.15Å; D389-C432 VanDerWaalsContact CG-SG 3.52Å; D389-C432 PolarHBondContact OD1-SG 3.45Å
390	V	84.6	Confident	90.4	Very high	89 Å²	89	41.4 Å²	41.4	54%	0.539	21%	0.213	S	C	.	.	H	α-helix	trans	-79.1	-44.5	173.1	178.8	0	0	0	0	110.4	R387 Y600	R387-V390 HydrophobicContact CB-CB 4.45Å; R387-V390 HydrophobicContact CB-CG2 4.13Å; R387-V390 PolarHBondContact O-N 3.44Å; V390-Y600 WeakPolarHBondContact CB-OH 3.16Å; V390-Y600 WeakPolarHBondContact CG1-OH 3.16Å; V390-Y600 WeakPolarHBondContact CG2-OH 3.42Å
391	V	82.4	Confident	90.1	Very high	62 Å²	62	42.6 Å²	42.6	38%	0.376	22%	0.219	S	C	.	.	H	α-helix	trans	-71.5	-42.4	-178.2	176.5	0	0	0	0	112.6	E386 R387 T435	E386-V391 VanDerWaalsContact CD-CG2 3.43Å; E386-V391 HydrophobicContact CG-CG2 3.53Å; R387-V391 PolarHBondContact O-N 2.99Å; V391-T435 HydrophobicContact CB-CG2 4.44Å; V391-T435 HydrophobicContact CG2-CG2 4.08Å
392	F	84.3	Confident	89.5	Confident	30 Å²	30	45.6 Å²	45.6	13%	0.132	23%	0.234	C	C	.	.	S	Bend	trans	-104.9	4.8	-174.6	-60.8	-72.5	0	0	0	113.5	M388 W396 Q399 N411 N413 M414	M388-F392 HydrophobicContact CG-CD2 4.16Å; M388-F392 WeakPolarHBondContact O-CB 3.27Å; M388-F392 WeakPolarHBondContact O-CD2 3.29Å; M388-F392 PolarHBondContact O-N 2.99Å; M388-F392 HydrophobicContact SD-CD2 3.43Å; M388-F392 WeakPolarHBondContact SD-CD2 3.31Å; M388-F392 HydrophobicContact SD-CE2 3.5Å; M388-F392 WeakPolarHBondContact SD-CE2 3.44Å; F392-W396 HydrophobicContact CB-CB 3.54Å; F392-Q399 PolarHBondContact O-NE2 3.45Å; F392-N411 HydrophobicContact CE1-CB 3.54Å; F392-N411 HydrophobicContact CZ-CB 3.7Å; F392-N413 HydrophobicContact CZ-CB 4.12Å; F392-M414 HydrophobicContact CB-CE 4.45Å; F392-M414 HydrophobicContact CD1-CE 3.71Å; F392-M414 HydrophobicContact CD2-CE 3.96Å; F392-M414 HydrophobicContact CD2-CG 4.25Å; F392-M414 HydrophobicContact CE1-CE 3.87Å; F392-M414 HydrophobicContact CE1-CG 4.47Å; F392-M414 HydrophobicContact CE2-CE 4.1Å; F392-M414 HydrophobicContact CE2-CG 3.64Å; F392-M414 HydrophobicContact CG-CE 3.76Å; F392-M414 HydrophobicContact CZ-CE 4.05Å; F392-M414 HydrophobicContact CZ-CG 3.76Å
393	G	80.7	Confident	88.9	Confident	30 Å²	30	51.8 Å²	51.8	31%	0.309	28%	0.278	S	S	.	.			trans	68.7	-175.5	175.8	0	0	0	0	0	115.2	D389 H395 W396	D389-G393 CarbonylContact O-C 3.57Å; D389-G393 WeakPolarHBondContact O-CA 3.36Å; D389-G393 PolarHBondContact O-N 2.82Å; G393-H395 PolarHBondContact O-N 2.9Å; G393-W396 WeakPolarHBondContact O-CB 3.34Å; G393-W396 PolarHBondContact O-N 2.85Å
394	K	78.9	Confident	88.3	Confident	180 Å²	180	58.6 Å²	58.6	78%	0.783	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-16.1	-174.5	73.5	-168.9	-176.4	-168.9	0	115.8
395	H	82.1	Confident	87.7	Confident	112 Å²	112	59.7 Å²	59.7	52%	0.519	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	14.1	-179	-63.5	-53.8	0	0	0	113.3	G393 V397 T398 Q399	G393-H395 PolarHBondContact O-N 2.9Å; H395-V397 VanDerWaalsContact C-N 3.27Å; H395-V397 PolarHBondContact O-N 2.87Å; H395-T398 PolarHBondContact O-N 3.11Å; H395-T398 VanDerWaalsContact O-N 3.13Å; H395-T398 PolarHBondContact O-OG1 2.74Å; H395-Q399 WeakPolarHBondContact O-CG 3.38Å; H395-Q399 PolarHBondContact O-N 2.86Å; H395-Q399 PolarHBondContact O-NE2 2.92Å
396	W	87.8	Confident	87.3	Confident	5 Å²	5	61.2 Å²	61.2	2%	0.019	34%	0.337	C	S	.	.	H	α-helix	trans	-56.1	-38.6	-177.6	77.6	-89.7	0	0	0	113.3	M388 D389 F392 G393 T398 Q399 C400 L418 Y428 C432 P433	M388-W396 HydrophobicContact CB-CD2 4.17Å; M388-W396 HydrophobicContact CB-CE3 4.13Å; M388-W396 HydrophobicContact CB-CH2 4.4Å; M388-W396 HydrophobicContact CB-CZ2 4.45Å; M388-W396 HydrophobicContact CB-CZ3 4.26Å; M388-W396 HydrophobicContact CG-CD2 3.67Å; M388-W396 HydrophobicContact CG-CE3 3.24Å; M388-W396 HydrophobicContact CG-CG 4.31Å; M388-W396 HydrophobicContact CG-CH2 4.14Å; M388-W396 HydrophobicContact CG-CZ2 4.49Å; M388-W396 HydrophobicContact CG-CZ3 3.52Å; D389-W396 VanDerWaalsContact CA-CD1 3.5Å; D389-W396 VanDerWaalsContact CB-CD1 3.49Å; D389-W396 HydrophobicContact CB-CG 4.41Å; F392-W396 HydrophobicContact CB-CB 3.54Å; G393-W396 WeakPolarHBondContact O-CB 3.34Å; G393-W396 PolarHBondContact O-N 2.85Å; W396-T398 VanDerWaalsContact C-N 3.32Å; W396-T398 PolarHBondContact O-N 3.19Å; W396-Q399 WeakPolarHBondContact O-CA 3.41Å; W396-Q399 WeakPolarHBondContact O-CB 3.46Å; W396-Q399 PolarHBondContact O-N 2.9Å; W396-C400 VanDerWaalsContact CE3-SG 3.51Å; W396-C400 VanDerWaalsContact CZ3-SG 3.53Å; W396-C400 PolarHBondContact O-N 3.36Å; W396-C400 PolarHBondContact O-SG 2.78Å; W396-C400 VanDerWaalsContact O-SG 3.37Å; W396-L418 HydrophobicContact CZ3-CD1 4.46Å; W396-Y428 HydrophobicContact CH2-CD1 4.2Å; W396-Y428 HydrophobicContact CH2-CG 4.09Å; W396-C432 HydrophobicContact CZ2-CB 3.83Å; W396-P433 HydrophobicContact CH2-CG 3.99Å; W396-P433 HydrophobicContact CZ3-CG 4.39Å
397	V	89.1	Confident	87.2	Confident	10 Å²	10	62.5 Å²	62.5	6%	0.061	34%	0.341	C	S	.	.	H	α-helix	trans	-59.3	-44.4	178.7	-178.4	0	0	0	0	110.5	H395 Q399 C400 F401 E429	H395-V397 VanDerWaalsContact C-N 3.27Å; H395-V397 PolarHBondContact O-N 2.87Å; V397-Q399 PolarHBondContact O-N 2.95Å; V397-C400 PolarHBondContact O-N 3.09Å; V397-F401 HydrophobicContact CG1-CD2 3.72Å; V397-F401 HydrophobicContact CG1-CE2 4.16Å; V397-F401 WeakPolarHBondContact O-CD2 3.39Å; V397-F401 PolarHBondContact O-N 3.05Å; V397-F401 VanDerWaalsContact O-N 3.14Å; V397-E429 HydrophobicContact CG2-CG 3.9Å
398	T	87	Confident	87	Confident	109 Å²	109	64.6 Å²	64.6	67%	0.669	35%	0.354	S	S	*	.	H	α-helix	trans	-71.8	-15.3	177	49.7	0	0	0	0	113.9	H395 W396	H395-T398 PolarHBondContact O-N 3.11Å; H395-T398 VanDerWaalsContact O-N 3.13Å; H395-T398 PolarHBondContact O-OG1 2.74Å; W396-T398 VanDerWaalsContact C-N 3.32Å; W396-T398 PolarHBondContact O-N 3.19Å
399	Q	84.4	Confident	86.9	Confident	83 Å²	83	69.3 Å²	69.3	39%	0.388	37%	0.372	S	S	.	.	H	α-helix	trans	-85.1	-17.4	173.7	-63.9	165.4	41.5	0	0	113	F392 H395 W396 V397 S410 M414	F392-Q399 PolarHBondContact O-NE2 3.45Å; H395-Q399 WeakPolarHBondContact O-CG 3.38Å; H395-Q399 PolarHBondContact O-N 2.86Å; H395-Q399 PolarHBondContact O-NE2 2.92Å; W396-Q399 WeakPolarHBondContact O-CA 3.41Å; W396-Q399 WeakPolarHBondContact O-CB 3.46Å; W396-Q399 PolarHBondContact O-N 2.9Å; V397-Q399 PolarHBondContact O-N 2.95Å; Q399-S410 WeakPolarHBondContact O-CB 3.35Å; Q399-S410 PolarHBondContact O-OG 3.05Å; Q399-M414 HydrophobicContact CB-CE 4.4Å
400	C	90.1	Very high	86.8	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-126.6	10.7	-172.9	76	0	0	0	0	115	W396 V397 Y407 I408 M414	W396-C400 VanDerWaalsContact CE3-SG 3.51Å; W396-C400 VanDerWaalsContact CZ3-SG 3.53Å; W396-C400 PolarHBondContact O-N 3.36Å; W396-C400 PolarHBondContact O-SG 2.78Å; W396-C400 VanDerWaalsContact O-SG 3.37Å; V397-C400 PolarHBondContact O-N 3.09Å; C400-Y407 HydrophobicContact CB-CD2 4.24Å; C400-Y407 HydrophobicContact CB-CE2 3.71Å; C400-Y407 CarbonylContact O-C 3.41Å; C400-Y407 WeakPolarHBondContact O-CA 3.33Å; C400-Y407 WeakPolarHBondContact O-CD2 3.48Å; C400-I408 WeakPolarHBondContact CA-O 3.27Å; C400-I408 WeakPolarHBondContact CB-O 3.43Å; C400-I408 PolarHBondContact O-N 3.33Å; C400-M414 HydrophobicContact CB-CE 4.35Å; C400-M414 HydrophobicContact CB-SD 3.88Å
401	F	91.3	Very high	87.1	Confident	29 Å²	29	69.8 Å²	69.8	13%	0.127	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-132.8	135.4	172.4	-72.1	-81.3	0	0	0	111	V397 G405 G406 Y407 L418 H425 Y428	V397-F401 HydrophobicContact CG1-CD2 3.72Å; V397-F401 HydrophobicContact CG1-CE2 4.16Å; V397-F401 WeakPolarHBondContact O-CD2 3.39Å; V397-F401 PolarHBondContact O-N 3.05Å; V397-F401 VanDerWaalsContact O-N 3.14Å; F401-G405 WeakPolarHBondContact CD1-O 3.49Å; F401-G406 CarbonylContact C-O 3.56Å; F401-G406 WeakPolarHBondContact CA-O 3.5Å; F401-Y407 HydrophobicContact CD1-CD2 4.39Å; F401-Y407 AromaticContact CE1-CD2 3.96Å; F401-Y407 HydrophobicContact CE1-CD2 3.96Å; F401-Y407 HydrophobicContact CE1-CG 4.4Å; F401-Y407 HydrophobicContact CE2-CD2 4.23Å; F401-Y407 AromaticContact CZ-CD2 3.88Å; F401-Y407 HydrophobicContact CZ-CD2 3.88Å; F401-L418 HydrophobicContact CE2-CD1 4.19Å; F401-L418 HydrophobicContact CZ-CD1 3.81Å; F401-H425 HydrophobicContact CB-CB 4.34Å; F401-H425 HydrophobicContact CD1-CB 3.51Å; F401-H425 HydrophobicContact CD2-CB 3.69Å; F401-H425 HydrophobicContact CE1-CB 3.54Å; F401-H425 HydrophobicContact CE2-CB 3.73Å; F401-H425 HydrophobicContact CG-CB 3.58Å; F401-H425 HydrophobicContact CZ-CB 3.64Å; F401-Y428 HydrophobicContact CE2-CD2 4.25Å; F401-Y428 AromaticContact CZ-CD2 3.9Å; F401-Y428 HydrophobicContact CZ-CD2 3.9Å; F401-Y428 HydrophobicContact CZ-CE2 4.09Å
402	D	87.6	Confident	87.7	Confident	62 Å²	62	73.3 Å²	73.3	33%	0.332	39%	0.393	S	S	.	.			trans	-80.2	177.2	177.3	76.5	13.3	0	0	0	113	K404 G405 G406 I408	D402-K404 PolarHBondContact O-N 3.29Å; D402-K404 VanDerWaalsContact O-N 3.1Å; D402-K404 VanDerWaalsContact OD1-C 3.3Å; D402-K404 VanDerWaalsContact OD1-CA 3.26Å; D402-K404 WeakPolarHBondContact OD1-CA 3.5Å; D402-K404 WeakPolarHBondContact OD1-CB 3.22Å; D402-K404 PolarHBondContact OD1-N 3.07Å; D402-G405 PolarHBondContact O-N 3.38Å; D402-G405 PolarHBondContact OD1-N 2.84Å; D402-G406 PolarHBondContact N-O 3.22Å; D402-G406 PolarHBondContact OD1-N 2.84Å; D402-I408 HydrophobicContact CB-CD1 3.81Å; D402-I408 HydrophobicContact CB-CG1 4.46Å
403	S	84.6	Confident	88.2	Confident	131 Å²	131	72.9 Å²	72.9	92%	0.916	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-9.7	178.9	57	0	0	0	0	114.9
404	K	85.9	Confident	89	Confident	190 Å²	190	71.4 Å²	71.4	83%	0.826	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-1.5	172.8	-59.2	176.5	-178.5	174.6	0	112.1	D402 G406	D402-K404 PolarHBondContact O-N 3.29Å; D402-K404 VanDerWaalsContact O-N 3.1Å; D402-K404 VanDerWaalsContact OD1-C 3.3Å; D402-K404 VanDerWaalsContact OD1-CA 3.26Å; D402-K404 WeakPolarHBondContact OD1-CA 3.5Å; D402-K404 WeakPolarHBondContact OD1-CB 3.22Å; D402-K404 PolarHBondContact OD1-N 3.07Å; K404-G406 VanDerWaalsContact C-N 3.35Å
405	G	85.6	Confident	89.8	Confident	27 Å²	27	63.7 Å²	63.7	28%	0.278	35%	0.346	S	S	.	.	S	Bend	trans	78.6	14.1	-174.7	0	0	0	0	0	114.4	F401 D402	F401-G405 WeakPolarHBondContact CD1-O 3.49Å; D402-G405 PolarHBondContact O-N 3.38Å; D402-G405 PolarHBondContact OD1-N 2.84Å
406	G	90.3	Very high	90.3	Very high	31 Å²	31	63.1 Å²	63.1	32%	0.32	35%	0.353	S	S	.	.			trans	-73.6	135	171.7	0	0	0	0	0	111.2	F401 D402 K404	F401-G406 CarbonylContact C-O 3.56Å; F401-G406 WeakPolarHBondContact CA-O 3.5Å; D402-G406 PolarHBondContact N-O 3.22Å; D402-G406 PolarHBondContact OD1-N 2.84Å; K404-G406 VanDerWaalsContact C-N 3.35Å
407	Y	94.4	Very high	90.6	Very high	52 Å²	52	67 Å²	67	20%	0.204	38%	0.381	C	S	.	.	B	Isolated β-bridge	trans	-73.2	130.5	179.2	-179.9	-108.9	0	0	0	111.5	C400 F401 R409 P415 L418	C400-Y407 HydrophobicContact CB-CD2 4.24Å; C400-Y407 HydrophobicContact CB-CE2 3.71Å; C400-Y407 CarbonylContact O-C 3.41Å; C400-Y407 WeakPolarHBondContact O-CA 3.33Å; C400-Y407 WeakPolarHBondContact O-CD2 3.48Å; F401-Y407 HydrophobicContact CD1-CD2 4.39Å; F401-Y407 AromaticContact CE1-CD2 3.96Å; F401-Y407 HydrophobicContact CE1-CD2 3.96Å; F401-Y407 HydrophobicContact CE1-CG 4.4Å; F401-Y407 HydrophobicContact CE2-CD2 4.23Å; F401-Y407 AromaticContact CZ-CD2 3.88Å; F401-Y407 HydrophobicContact CZ-CD2 3.88Å; Y407-R409 HydrophobicContact CE1-CB 4.44Å; Y407-P415 WeakPolarHBondContact CE1-O 3.32Å; Y407-P415 WeakPolarHBondContact OH-CD 3.44Å; Y407-P415 PolarHBondContact OH-O 2.76Å; Y407-P415 VanDerWaalsContact OH-O 3.11Å; Y407-L418 HydrophobicContact CD1-CG 4.48Å; Y407-L418 HydrophobicContact CD2-CD1 3.56Å; Y407-L418 HydrophobicContact CD2-CG 3.91Å; Y407-L418 HydrophobicContact CE1-CG 4.28Å; Y407-L418 HydrophobicContact CE2-CD1 3.38Å; Y407-L418 HydrophobicContact CE2-CG 3.7Å; Y407-L418 HydrophobicContact CG-CD1 4.37Å; Y407-L418 HydrophobicContact CG-CG 4.3Å
408	I	92.6	Very high	90.8	Very high	88 Å²	88	67.7 Å²	67.7	45%	0.451	38%	0.384	S	S	.	.			trans	-125	124.5	176.5	-61.5	-175	0	0	0	109.3	C400 D402 S410	C400-I408 WeakPolarHBondContact CA-O 3.27Å; C400-I408 WeakPolarHBondContact CB-O 3.43Å; C400-I408 PolarHBondContact O-N 3.33Å; D402-I408 HydrophobicContact CB-CD1 3.81Å; D402-I408 HydrophobicContact CB-CG1 4.46Å; I408-S410 PolarHBondContact O-N 2.87Å
409	R	92.6	Very high	91	Very high	101 Å²	101	63.9 Å²	63.9	38%	0.381	36%	0.361	S	S	.	.			trans	-81.5	97.4	173.7	-171.8	-169.4	-175.2	-166.4	2.9	109.9	Y407 N411 L412 M414	Y407-R409 HydrophobicContact CE1-CB 4.44Å; R409-N411 WeakPolarHBondContact CG-O 3.33Å; R409-L412 PolarHBondContact NH2-O 3.1Å; R409-M414 HydrophobicContact CG-CB 3.95Å; R409-M414 PolarHBondContact NE-O 3.2Å
410	S	86.4	Confident	91.2	Very high	72 Å²	72	65.6 Å²	65.6	50%	0.503	38%	0.383	S	S	.	.			trans	-91.3	-13	-179	49.9	0	0	0	0	114.4	Q399 I408 M414	Q399-S410 WeakPolarHBondContact O-CB 3.35Å; Q399-S410 PolarHBondContact O-OG 3.05Å; I408-S410 PolarHBondContact O-N 2.87Å; S410-M414 WeakPolarHBondContact OG-CE 3.46Å; S410-M414 PolarHBondContact OG-SD 3.07Å; S410-M414 VanDerWaalsContact OG-SD 3.35Å
411	N	92.1	Very high	91.2	Very high	62 Å²	62	66.9 Å²	66.9	33%	0.332	39%	0.387	S	S	.	.	S	Bend	trans	-136.4	148.2	173.3	-176.5	-68.9	0	0	0	110.7	F392 R409 N413 M414	F392-N411 HydrophobicContact CE1-CB 3.54Å; F392-N411 HydrophobicContact CZ-CB 3.7Å; R409-N411 WeakPolarHBondContact CG-O 3.33Å; N411-N413 VanDerWaalsContact C-N 3.25Å; N411-N413 PolarHBondContact O-N 3.02Å; N411-N413 PolarHBondContact OD1-N 3.44Å; N411-M414 HydrophobicContact CB-CE 4.28Å; N411-M414 HydrophobicContact CB-CG 4.15Å; N411-M414 HydrophobicContact CB-SD 4.35Å; N411-M414 VanDerWaalsContact O-CB 3.29Å; N411-M414 WeakPolarHBondContact O-CB 3.21Å; N411-M414 PolarHBondContact O-N 3.06Å
412	L	93.8	Very high	91	Very high	136 Å²	136	71.3 Å²	71.3	71%	0.712	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.6	-178.6	-66.2	-179.3	0	0	0	114.1	R409 M414	R409-L412 PolarHBondContact NH2-O 3.1Å; L412-M414 VanDerWaalsContact C-N 3.26Å; L412-M414 PolarHBondContact O-N 3.16Å
413	N	95.9	Very high	90.8	Very high	20 Å²	20	70.5 Å²	70.5	11%	0.107	43%	0.428	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-8.9	172.7	-162.7	19.4	0	0	0	113	E386 F392 N411 T435 V436 F437	E386-N413 PolarHBondContact OE2-ND2 3.31Å; F392-N413 HydrophobicContact CZ-CB 4.12Å; N411-N413 VanDerWaalsContact C-N 3.25Å; N411-N413 PolarHBondContact O-N 3.02Å; N411-N413 PolarHBondContact OD1-N 3.44Å; N413-T435 WeakPolarHBondContact O-CA 3.41Å; N413-T435 VanDerWaalsContact O-CB 3.31Å; N413-T435 WeakPolarHBondContact O-CB 3.39Å; N413-T435 VanDerWaalsContact OD1-CB 3.28Å; N413-T435 WeakPolarHBondContact OD1-CB 3.19Å; N413-T435 PolarHBondContact OD1-OG1 2.73Å; N413-V436 PolarHBondContact O-N 3.47Å; N413-V436 PolarHBondContact OD1-N 2.92Å; N413-F437 WeakPolarHBondContact OD1-CB 3.46Å; N413-F437 VanDerWaalsContact OD1-CD2 3.32Å; N413-F437 WeakPolarHBondContact OD1-CD2 3.4Å; N413-F437 PolarHBondContact OD1-N 2.87Å
414	M	96.4	Very high	91.1	Very high	0 Å²	0	65.9 Å²	65.9	0%	0	40%	0.401	C	S	.	.	S	Bend	trans	-77.5	144	167.3	-58.9	180	176.1	0	0	110.4	M388 F392 Q399 C400 R409 S410 N411 L412 V436	M388-M414 HydrophobicContact SD-CB 4.24Å; M388-M414 HydrophobicContact SD-CG 3.76Å; F392-M414 HydrophobicContact CB-CE 4.45Å; F392-M414 HydrophobicContact CD1-CE 3.71Å; F392-M414 HydrophobicContact CD2-CE 3.96Å; F392-M414 HydrophobicContact CD2-CG 4.25Å; F392-M414 HydrophobicContact CE1-CE 3.87Å; F392-M414 HydrophobicContact CE1-CG 4.47Å; F392-M414 HydrophobicContact CE2-CE 4.1Å; F392-M414 HydrophobicContact CE2-CG 3.64Å; F392-M414 HydrophobicContact CG-CE 3.76Å; F392-M414 HydrophobicContact CZ-CE 4.05Å; F392-M414 HydrophobicContact CZ-CG 3.76Å; Q399-M414 HydrophobicContact CB-CE 4.4Å; C400-M414 HydrophobicContact CB-CE 4.35Å; C400-M414 HydrophobicContact CB-SD 3.88Å; R409-M414 HydrophobicContact CG-CB 3.95Å; R409-M414 PolarHBondContact NE-O 3.2Å; S410-M414 WeakPolarHBondContact OG-CE 3.46Å; S410-M414 PolarHBondContact OG-SD 3.07Å; S410-M414 VanDerWaalsContact OG-SD 3.35Å; N411-M414 HydrophobicContact CB-CE 4.28Å; N411-M414 HydrophobicContact CB-CG 4.15Å; N411-M414 HydrophobicContact CB-SD 4.35Å; N411-M414 VanDerWaalsContact O-CB 3.29Å; N411-M414 WeakPolarHBondContact O-CB 3.21Å; N411-M414 PolarHBondContact O-N 3.06Å; L412-M414 VanDerWaalsContact C-N 3.26Å; L412-M414 PolarHBondContact O-N 3.16Å; M414-V436 WeakPolarHBondContact O-CG2 3.37Å
415	P	95.6	Very high	91.2	Very high	18 Å²	18	59.7 Å²	59.7	12%	0.117	38%	0.375	C	S	.	.			trans	-64.3	164.5	179.2	27.5	-36.6	0	0	0	112.4	M388 Y407 S417 L418	M388-P415 HydrophobicContact CE-CG 4.24Å; Y407-P415 WeakPolarHBondContact CE1-O 3.32Å; Y407-P415 WeakPolarHBondContact OH-CD 3.44Å; Y407-P415 PolarHBondContact OH-O 2.76Å; Y407-P415 VanDerWaalsContact OH-O 3.11Å; P415-S417 VanDerWaalsContact C-N 3.28Å; P415-S417 PolarHBondContact O-N 2.81Å; P415-L418 HydrophobicContact CG-CD2 3.58Å; P415-L418 HydrophobicContact CG-CG 4.39Å
416	C	93.6	Very high	91.3	Very high	99 Å²	99	66.7 Å²	66.7	67%	0.669	39%	0.393	S	S	*	.	S	Bend	trans	-72.7	-21.1	178.1	-62.3	0	0	0	0	113.6
417	S	93.1	Very high	91.4	Very high	86 Å²	86	66.7 Å²	66.7	60%	0.601	39%	0.386	S	S	*	.			trans	-160.1	154.4	-177.7	55.4	0	0	0	0	110.6	P415	P415-S417 VanDerWaalsContact C-N 3.28Å; P415-S417 PolarHBondContact O-N 2.81Å
418	L	92.5	Very high	91.4	Very high	26 Å²	26	64.4 Å²	64.4	14%	0.136	38%	0.377	C	S	.	.			trans	-119.9	147.2	171	-67.2	-176.7	0	0	0	110.7	W396 F401 Y407 P415 Y428 P433	W396-L418 HydrophobicContact CZ3-CD1 4.46Å; F401-L418 HydrophobicContact CE2-CD1 4.19Å; F401-L418 HydrophobicContact CZ-CD1 3.81Å; Y407-L418 HydrophobicContact CD1-CG 4.48Å; Y407-L418 HydrophobicContact CD2-CD1 3.56Å; Y407-L418 HydrophobicContact CD2-CG 3.91Å; Y407-L418 HydrophobicContact CE1-CG 4.28Å; Y407-L418 HydrophobicContact CE2-CD1 3.38Å; Y407-L418 HydrophobicContact CE2-CG 3.7Å; Y407-L418 HydrophobicContact CG-CD1 4.37Å; Y407-L418 HydrophobicContact CG-CG 4.3Å; P415-L418 HydrophobicContact CG-CD2 3.58Å; P415-L418 HydrophobicContact CG-CG 4.39Å; L418-Y428 HydrophobicContact CB-CE2 4.38Å; L418-Y428 HydrophobicContact CD1-CE1 4.26Å; L418-Y428 HydrophobicContact CD1-CE2 4.26Å; L418-P433 HydrophobicContact CD1-CG 4.46Å; L418-P433 HydrophobicContact CD2-CB 3.83Å; L418-P433 HydrophobicContact CD2-CG 3.7Å
419	P	91.9	Very high	91.2	Very high	29 Å²	29	66.1 Å²	66.1	19%	0.188	38%	0.383	C	S	.	.			trans	-54.1	148.8	171.7	-26.7	34.3	0	0	0	113.2	Y428 I508 A516	P419-Y428 WeakPolarHBondContact CD-OH 3.44Å; P419-Y428 PolarHBondContact O-OH 2.98Å; P419-I508 HydrophobicContact CB-CD1 3.97Å; P419-I508 HydrophobicContact CG-CD1 4.42Å; P419-A516 HydrophobicContact CB-CB 4.37Å; P419-A516 HydrophobicContact CG-CB 4.44Å
420	S	88.1	Confident	91	Very high	119 Å²	119	65 Å²	65	83%	0.832	38%	0.381	S	S	*	.			trans	-70.7	141.7	167	-58.4	0	0	0	0	110.2
421	R	91.3	Very high	91.4	Very high	26 Å²	26	61.6 Å²	61.6	10%	0.098	36%	0.357	C	S	.	.			trans	-127.6	149.4	178.2	-58.5	-174.3	77.5	132.4	8.7	110.2	G424 D427 Y428 D431 A506 I508	R421-G424 PolarHBondContact O-N 2.76Å; R421-D427 HydrophobicContact CB-CB 4.28Å; R421-D427 VanDerWaalsContact NE-CB 3.3Å; R421-Y428 VanDerWaalsContact CD-CE2 3.43Å; R421-Y428 VanDerWaalsContact CD-CZ 3.44Å; R421-Y428 HydrophobicContact CG-CE2 3.9Å; R421-D431 IonicContact CZ-OD2 2.7Å; R421-D431 VanDerWaalsContact CZ-OD2 3.3Å; R421-D431 PolarHBondContact NH1-O 2.73Å; R421-D431 VanDerWaalsContact NH1-O 3.11Å; R421-D431 IonicContact NH1-OD2 3.14Å; R421-D431 PolarHBondContact NH1-OD2 3.5Å; R421-D431 IonicContact NH2-OD2 3.65Å; R421-D431 PolarHBondContact NH2-OD2 3.25Å; R421-A506 PolarHBondContact NH2-O 2.83Å; R421-I508 HydrophobicContact CG-CD1 3.97Å; R421-I508 HydrophobicContact CG-CG1 4.22Å
422	S	85.9	Confident	91.5	Very high	123 Å²	123	58.7 Å²	58.7	86%	0.86	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-33.9	-175.5	47.8	0	0	0	0	113.8	G424	S422-G424 VanDerWaalsContact C-N 3.29Å
423	G	84.8	Confident	91.7	Very high	45 Å²	45	52.2 Å²	52.2	46%	0.464	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	8.4	169.3	0	0	0	0	0	114.3	D427	G423-D427 WeakPolarHBondContact CA-OD2 3.28Å; G423-D427 PolarHBondContact N-OD2 3.44Å
424	G	89.9	Confident	91.8	Very high	33 Å²	33	51.3 Å²	51.3	34%	0.34	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	69.3	-151	-178	0	0	0	0	0	113.4	R421 S422 R426 D427	R421-G424 PolarHBondContact O-N 2.76Å; S422-G424 VanDerWaalsContact C-N 3.29Å; G424-R426 VanDerWaalsContact C-N 3.25Å; G424-R426 PolarHBondContact O-N 3.49Å; G424-D427 PolarHBondContact O-N 2.85Å
425	H	88.4	Confident	91.9	Very high	60 Å²	60	51.3 Å²	51.3	28%	0.278	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-66.9	-21.2	-172.9	59.6	-101.7	0	0	0	114.5	F401 D427 Y428	F401-H425 HydrophobicContact CB-CB 4.34Å; F401-H425 HydrophobicContact CD1-CB 3.51Å; F401-H425 HydrophobicContact CD2-CB 3.69Å; F401-H425 HydrophobicContact CE1-CB 3.54Å; F401-H425 HydrophobicContact CE2-CB 3.73Å; F401-H425 HydrophobicContact CG-CB 3.58Å; F401-H425 HydrophobicContact CZ-CB 3.64Å; H425-D427 PolarHBondContact O-N 3.09Å; H425-Y428 WeakPolarHBondContact O-CB 3.44Å; H425-Y428 PolarHBondContact O-N 2.86Å
426	R	88.6	Confident	92.1	Very high	175 Å²	175	52.8 Å²	52.8	66%	0.66	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-72.1	-26.9	-177.1	-63.4	-171.3	-175.1	-172.3	1	113.5	G424 Y428 E429	G424-R426 VanDerWaalsContact C-N 3.25Å; G424-R426 PolarHBondContact O-N 3.49Å; R426-Y428 PolarHBondContact O-N 2.76Å; R426-Y428 VanDerWaalsContact O-N 3.1Å; R426-E429 WeakPolarHBondContact O-CB 3.35Å; R426-E429 WeakPolarHBondContact O-CG 3.41Å; R426-E429 PolarHBondContact O-N 2.88Å
427	D	92.4	Very high	92.3	Very high	31 Å²	31	52.5 Å²	52.5	17%	0.166	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-59.8	-24.5	176.7	-69.4	-15	0	0	0	112.1	R421 G423 G424 H425 E429 D431	R421-D427 HydrophobicContact CB-CB 4.28Å; R421-D427 VanDerWaalsContact NE-CB 3.3Å; G423-D427 WeakPolarHBondContact CA-OD2 3.28Å; G423-D427 PolarHBondContact N-OD2 3.44Å; G424-D427 PolarHBondContact O-N 2.85Å; H425-D427 PolarHBondContact O-N 3.09Å; D427-E429 VanDerWaalsContact C-N 3.3Å; D427-E429 PolarHBondContact O-N 2.82Å; D427-D431 PolarHBondContact O-N 3.27Å
428	Y	93.1	Very high	92.5	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.016	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-68.5	-22	175.3	-75	-71	0	0	0	114.3	W396 F401 L418 P419 R421 H425 R426 K430 D431 C432 L465	W396-Y428 HydrophobicContact CH2-CD1 4.2Å; W396-Y428 HydrophobicContact CH2-CG 4.09Å; F401-Y428 HydrophobicContact CE2-CD2 4.25Å; F401-Y428 AromaticContact CZ-CD2 3.9Å; F401-Y428 HydrophobicContact CZ-CD2 3.9Å; F401-Y428 HydrophobicContact CZ-CE2 4.09Å; L418-Y428 HydrophobicContact CB-CE2 4.38Å; L418-Y428 HydrophobicContact CD1-CE1 4.26Å; L418-Y428 HydrophobicContact CD1-CE2 4.26Å; P419-Y428 WeakPolarHBondContact CD-OH 3.44Å; P419-Y428 PolarHBondContact O-OH 2.98Å; R421-Y428 VanDerWaalsContact CD-CE2 3.43Å; R421-Y428 VanDerWaalsContact CD-CZ 3.44Å; R421-Y428 HydrophobicContact CG-CE2 3.9Å; H425-Y428 WeakPolarHBondContact O-CB 3.44Å; H425-Y428 PolarHBondContact O-N 2.86Å; R426-Y428 PolarHBondContact O-N 2.76Å; R426-Y428 VanDerWaalsContact O-N 3.1Å; Y428-K430 PolarHBondContact O-N 2.57Å; Y428-D431 CarbonylContact O-C 3.59Å; Y428-D431 PolarHBondContact O-N 3.46Å; Y428-C432 PolarHBondContact O-N 3.03Å; Y428-L465 HydrophobicContact CD1-CD2 4.25Å; Y428-L465 HydrophobicContact CE1-CD2 3.5Å; Y428-L465 VanDerWaalsContact CE1-CD2 3.5Å
429	E	89.1	Confident	92.8	Very high	123 Å²	123	48.1 Å²	48.1	58%	0.575	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-59.3	-33.5	178.8	-68.4	177.5	-173.4	0	0	112.2	V397 R426 D427	V397-E429 HydrophobicContact CG2-CG 3.9Å; R426-E429 WeakPolarHBondContact O-CB 3.35Å; R426-E429 WeakPolarHBondContact O-CG 3.41Å; R426-E429 PolarHBondContact O-N 2.88Å; D427-E429 VanDerWaalsContact C-N 3.3Å; D427-E429 PolarHBondContact O-N 2.82Å
430	K	88.6	Confident	93.1	Very high	78 Å²	78	50.1 Å²	50.1	34%	0.339	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	-7.8	178.1	-61.9	-163.7	-176.4	-164.5	0	114.2	Y428 S500 S503 P505	Y428-K430 PolarHBondContact O-N 2.57Å; K430-S500 WeakPolarHBondContact CE-O 3.49Å; K430-S500 PolarHBondContact NZ-O 3.47Å; K430-S503 PolarHBondContact NZ-O 2.73Å; K430-S503 VanDerWaalsContact NZ-O 3.11Å; K430-S503 PolarHBondContact NZ-OG 2.69Å; K430-S503 VanDerWaalsContact NZ-OG 3.1Å; K430-P505 HydrophobicContact CB-CB 3.9Å; K430-P505 HydrophobicContact CB-CG 4.19Å; K430-P505 WeakPolarHBondContact O-CB 3.5Å; K430-P505 WeakPolarHBondContact O-CG 3.37Å
431	D	94.9	Very high	93.6	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-146.8	67.2	-174.5	-173.4	41.4	0	0	0	110.7	R421 D427 Y428 S464 L465 P505	R421-D431 IonicContact CZ-OD2 2.7Å; R421-D431 VanDerWaalsContact CZ-OD2 3.3Å; R421-D431 PolarHBondContact NH1-O 2.73Å; R421-D431 VanDerWaalsContact NH1-O 3.11Å; R421-D431 IonicContact NH1-OD2 3.14Å; R421-D431 PolarHBondContact NH1-OD2 3.5Å; R421-D431 IonicContact NH2-OD2 3.65Å; R421-D431 PolarHBondContact NH2-OD2 3.25Å; D427-D431 PolarHBondContact O-N 3.27Å; Y428-D431 CarbonylContact O-C 3.59Å; Y428-D431 PolarHBondContact O-N 3.46Å; D431-S464 VanDerWaalsContact OD1-CA 3.23Å; D431-S464 WeakPolarHBondContact OD1-CA 3.27Å; D431-L465 PolarHBondContact OD1-N 2.97Å; D431-P505 HydrophobicContact CB-CB 4.03Å
432	C	94.6	Very high	94	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.007	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-66.2	151.1	-176.8	61.5	0	0	0	0	113.2	R387 D389 W396 Y428 R466	R387-C432 PolarHBondContact NE-SG 3.14Å; R387-C432 VanDerWaalsContact NE-SG 3.41Å; D389-C432 HydrophobicContact CB-CB 4.15Å; D389-C432 VanDerWaalsContact CG-SG 3.52Å; D389-C432 PolarHBondContact OD1-SG 3.45Å; W396-C432 HydrophobicContact CZ2-CB 3.83Å; Y428-C432 PolarHBondContact O-N 3.03Å; C432-R466 PolarHBondContact O-N 3.47Å
433	P	97.4	Very high	94.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-79.1	168.7	171.7	35.1	-34.7	0	0	0	111.5	M388 W396 L418 L465 Q469	M388-P433 HydrophobicContact CB-CG 3.97Å; M388-P433 HydrophobicContact CE-CG 4.21Å; M388-P433 HydrophobicContact CG-CG 4.28Å; M388-P433 PolarHBondContact N-O 2.89Å; M388-P433 VanDerWaalsContact N-O 3.09Å; W396-P433 HydrophobicContact CH2-CG 3.99Å; W396-P433 HydrophobicContact CZ3-CG 4.39Å; L418-P433 HydrophobicContact CD1-CG 4.46Å; L418-P433 HydrophobicContact CD2-CB 3.83Å; L418-P433 HydrophobicContact CD2-CG 3.7Å; P433-L465 HydrophobicContact CB-CD2 4.06Å; P433-Q469 VanDerWaalsContact CB-OE1 3.29Å
434	I	98.4	Very high	95.2	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-75.9	159.8	161.8	60.8	-178.5	0	0	0	111.8	E386 M388 S439 R466 Q469	E386-I434 CarbonylContact O-C 3.54Å; E386-I434 WeakPolarHBondContact O-CA 3.43Å; E386-I434 VanDerWaalsContact O-CB 3.3Å; E386-I434 WeakPolarHBondContact O-CB 3.42Å; M388-I434 WeakPolarHBondContact CE-O 3.4Å; I434-S439 WeakPolarHBondContact CD1-OG 3.14Å; I434-R466 HydrophobicContact CG2-CB 3.79Å; I434-Q469 HydrophobicContact CD1-CB 3.62Å; I434-Q469 HydrophobicContact CG1-CB 3.74Å
435	T	98.3	Very high	95.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	21%	0.206	C	C	.	.			trans	-80.2	177.2	172.4	65.1	0	0	0	0	112	E386 M388 V391 N413 F437 G438 S439	E386-T435 WeakPolarHBondContact CB-OG1 3.35Å; E386-T435 HydrophobicContact CG-CG2 4.07Å; E386-T435 PolarHBondContact O-N 3.13Å; E386-T435 PolarHBondContact O-OG1 3.17Å; E386-T435 WeakPolarHBondContact OE2-CB 3.43Å; E386-T435 WeakPolarHBondContact OE2-CG2 3.32Å; E386-T435 PolarHBondContact OE2-OG1 2.94Å; M388-T435 HydrophobicContact CE-CG2 3.77Å; M388-T435 HydrophobicContact SD-CG2 4.29Å; V391-T435 HydrophobicContact CB-CG2 4.44Å; V391-T435 HydrophobicContact CG2-CG2 4.08Å; N413-T435 WeakPolarHBondContact O-CA 3.41Å; N413-T435 VanDerWaalsContact O-CB 3.31Å; N413-T435 WeakPolarHBondContact O-CB 3.39Å; N413-T435 VanDerWaalsContact OD1-CB 3.28Å; N413-T435 WeakPolarHBondContact OD1-CB 3.19Å; N413-T435 PolarHBondContact OD1-OG1 2.73Å; T435-F437 PolarHBondContact OG1-N 3.36Å; T435-G438 PolarHBondContact O-N 3.08Å; T435-G438 PolarHBondContact OG1-N 2.78Å; T435-S439 WeakPolarHBondContact O-CB 3.25Å; T435-S439 PolarHBondContact O-N 3.17Å; T435-S439 PolarHBondContact O-OG 3.33Å
436	V	98.4	Very high	96.1	Very high	49 Å²	49	41.6 Å²	41.6	30%	0.297	19%	0.193	S	C	.	.	H	α-helix	trans	-64.3	-43.3	170.1	176.1	0	0	0	0	110.1	N413 M414 G438 S439 T440	N413-V436 PolarHBondContact O-N 3.47Å; N413-V436 PolarHBondContact OD1-N 2.92Å; M414-V436 WeakPolarHBondContact O-CG2 3.37Å; V436-G438 VanDerWaalsContact C-N 3.34Å; V436-G438 PolarHBondContact O-N 3.36Å; V436-S439 WeakPolarHBondContact O-CB 3.48Å; V436-S439 PolarHBondContact O-N 2.94Å; V436-T440 PolarHBondContact O-N 3.03Å; V436-T440 PolarHBondContact O-OG1 3.48Å; V436-T440 VanDerWaalsContact O-OG1 3.09Å
437	F	97.8	Very high	96.6	Very high	94 Å²	94	36.8 Å²	36.8	41%	0.412	18%	0.178	S	C	.	.	H	α-helix	trans	-61.5	-41	172.2	-90.3	-109.8	0	0	0	111.8	E386 N413 T435 S439 T440 Q441	E386-F437 WeakPolarHBondContact OE2-CB 3.16Å; N413-F437 WeakPolarHBondContact OD1-CB 3.46Å; N413-F437 VanDerWaalsContact OD1-CD2 3.32Å; N413-F437 WeakPolarHBondContact OD1-CD2 3.4Å; N413-F437 PolarHBondContact OD1-N 2.87Å; T435-F437 PolarHBondContact OG1-N 3.36Å; F437-S439 VanDerWaalsContact C-N 3.28Å; F437-S439 PolarHBondContact O-N 3.44Å; F437-T440 CarbonylContact O-C 3.59Å; F437-T440 WeakPolarHBondContact O-CB 3.45Å; F437-T440 PolarHBondContact O-N 2.96Å; F437-T440 VanDerWaalsContact O-N 3.13Å; F437-Q441 VanDerWaalsContact O-CG 3.27Å; F437-Q441 WeakPolarHBondContact O-CG 3.43Å; F437-Q441 PolarHBondContact O-N 2.71Å
438	G	98.3	Very high	96.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-60.7	-36.3	173.9	0	0	0	0	0	113.4	T435 V436 A442	T435-G438 PolarHBondContact O-N 3.08Å; T435-G438 PolarHBondContact OG1-N 2.78Å; V436-G438 VanDerWaalsContact C-N 3.34Å; V436-G438 PolarHBondContact O-N 3.36Å; G438-A442 WeakPolarHBondContact O-CB 3.45Å; G438-A442 PolarHBondContact O-N 2.8Å
439	S	98.6	Very high	97.1	Very high	20 Å²	20	37.1 Å²	37.1	14%	0.14	19%	0.186	C	C	.	.	H	α-helix	trans	-69.5	-39.5	173.8	-53.8	0	0	0	0	111.5	I434 T435 V436 F437 R443	I434-S439 WeakPolarHBondContact CD1-OG 3.14Å; T435-S439 WeakPolarHBondContact O-CB 3.25Å; T435-S439 PolarHBondContact O-N 3.17Å; T435-S439 PolarHBondContact O-OG 3.33Å; V436-S439 WeakPolarHBondContact O-CB 3.48Å; V436-S439 PolarHBondContact O-N 2.94Å; F437-S439 VanDerWaalsContact C-N 3.28Å; F437-S439 PolarHBondContact O-N 3.44Å; S439-R443 WeakPolarHBondContact O-CB 3.47Å; S439-R443 PolarHBondContact O-N 3.35Å
440	T	98.4	Very high	97.5	Very high	71 Å²	71	34.4 Å²	34.4	44%	0.436	18%	0.175	S	C	.	.	H	α-helix	trans	-67	-45.7	175	-59.4	0	0	0	0	112.2	V436 F437 A442 R443 L444	V436-T440 PolarHBondContact O-N 3.03Å; V436-T440 PolarHBondContact O-OG1 3.48Å; V436-T440 VanDerWaalsContact O-OG1 3.09Å; F437-T440 CarbonylContact O-C 3.59Å; F437-T440 WeakPolarHBondContact O-CB 3.45Å; F437-T440 PolarHBondContact O-N 2.96Å; F437-T440 VanDerWaalsContact O-N 3.13Å; T440-A442 VanDerWaalsContact C-N 3.3Å; T440-A442 PolarHBondContact O-N 2.7Å; T440-R443 PolarHBondContact O-N 3.28Å; T440-L444 HydrophobicContact CG2-CD1 4.11Å; T440-L444 HydrophobicContact CG2-CG 4.4Å; T440-L444 WeakPolarHBondContact O-CG 3.37Å; T440-L444 PolarHBondContact O-N 3.37Å
441	Q	98.6	Very high	97.8	Very high	8 Å²	8	33.5 Å²	33.5	4%	0.037	19%	0.187	C	C	.	.	H	α-helix	trans	-53.3	-49.3	173.6	-70.4	163.3	-6.6	0	0	110.8	F437 L444 V445 L601 L625 H627	F437-Q441 VanDerWaalsContact O-CG 3.27Å; F437-Q441 WeakPolarHBondContact O-CG 3.43Å; F437-Q441 PolarHBondContact O-N 2.71Å; Q441-L444 PolarHBondContact O-N 2.96Å; Q441-V445 PolarHBondContact O-N 2.87Å; Q441-V445 VanDerWaalsContact O-N 3.11Å; Q441-L601 HydrophobicContact CB-CD2 3.61Å; Q441-L601 HydrophobicContact CB-CG 4.03Å; Q441-L625 HydrophobicContact CB-CD2 3.84Å; Q441-L625 HydrophobicContact CG-CD2 3.85Å; Q441-H627 PolarHBondContact NE2-NE2 3.37Å
442	A	98.8	Very high	97.8	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-63	-42.4	179.7	0	0	0	0	0	112.6	G438 T440 V445 G446 T470 H473 I474 L601	G438-A442 WeakPolarHBondContact O-CB 3.45Å; G438-A442 PolarHBondContact O-N 2.8Å; T440-A442 VanDerWaalsContact C-N 3.3Å; T440-A442 PolarHBondContact O-N 2.7Å; A442-V445 PolarHBondContact O-N 2.89Å; A442-G446 PolarHBondContact O-N 2.99Å; A442-G446 VanDerWaalsContact O-N 3.15Å; A442-T470 HydrophobicContact CB-CG2 3.74Å; A442-H473 HydrophobicContact CB-CB 3.67Å; A442-I474 HydrophobicContact CB-CG1 4.2Å; A442-I474 WeakPolarHBondContact O-CA 3.22Å; A442-I474 VanDerWaalsContact O-CG1 3.22Å; A442-I474 WeakPolarHBondContact O-CG1 3.45Å; A442-L601 HydrophobicContact CB-CD1 4.42Å; A442-L601 HydrophobicContact CB-CD2 4.39Å
443	R	98.6	Very high	97.8	Very high	133 Å²	133	43.8 Å²	43.8	50%	0.502	24%	0.24	S	C	.	.	H	α-helix	trans	-64.8	-43.3	175.9	-177.3	-179.3	148.6	-169.2	-12.8	112.3	S439 T440 V445 G446 E447 H473	S439-R443 WeakPolarHBondContact O-CB 3.47Å; S439-R443 PolarHBondContact O-N 3.35Å; T440-R443 PolarHBondContact O-N 3.28Å; R443-V445 VanDerWaalsContact C-N 3.3Å; R443-V445 PolarHBondContact O-N 2.98Å; R443-G446 WeakPolarHBondContact O-CA 3.48Å; R443-G446 PolarHBondContact O-N 3.49Å; R443-G446 VanDerWaalsContact O-N 3.07Å; R443-E447 HydrophobicContact CG-CG 4.41Å; R443-E447 IonicContact CZ-OE1 2.66Å; R443-E447 IonicContact NE-OE1 3.95Å; R443-E447 PolarHBondContact NE-OE1 2.85Å; R443-E447 IonicContact NH2-OE1 3.19Å; R443-E447 PolarHBondContact NH2-OE1 3.22Å; R443-E447 WeakPolarHBondContact O-CG 3.33Å; R443-E447 PolarHBondContact O-N 2.95Å; R443-H473 WeakPolarHBondContact CA-O 3.43Å; R443-H473 HydrophobicContact CB-CB 4.47Å
444	L	98.6	Very high	97.5	Very high	76 Å²	76	44.6 Å²	44.6	40%	0.398	25%	0.245	S	C	.	.	H	α-helix	trans	-59.9	-39	176.6	-73.6	170.4	0	0	0	112.1	T440 Q441 E447 A448 L625	T440-L444 HydrophobicContact CG2-CD1 4.11Å; T440-L444 HydrophobicContact CG2-CG 4.4Å; T440-L444 WeakPolarHBondContact O-CG 3.37Å; T440-L444 PolarHBondContact O-N 3.37Å; Q441-L444 PolarHBondContact O-N 2.96Å; L444-E447 PolarHBondContact O-N 2.92Å; L444-A448 WeakPolarHBondContact O-CB 3.49Å; L444-A448 PolarHBondContact O-N 3.09Å; L444-L625 HydrophobicContact CD1-CD1 4.41Å
445	V	98.6	Very high	97.2	Very high	10 Å²	10	48.5 Å²	48.5	6%	0.061	27%	0.269	C	S	.	.	H	α-helix	trans	-63.6	-40.9	173.2	166.3	0	0	0	0	111.6	Q441 A442 R443 A448 L449 I474 L601 F603 I622	Q441-V445 PolarHBondContact O-N 2.87Å; Q441-V445 VanDerWaalsContact O-N 3.11Å; A442-V445 PolarHBondContact O-N 2.89Å; R443-V445 VanDerWaalsContact C-N 3.3Å; R443-V445 PolarHBondContact O-N 2.98Å; V445-A448 PolarHBondContact O-N 2.83Å; V445-L449 HydrophobicContact CG1-CD1 4.13Å; V445-L449 VanDerWaalsContact O-CG 3.32Å; V445-L449 WeakPolarHBondContact O-CG 3.37Å; V445-L449 PolarHBondContact O-N 3.31Å; V445-I474 HydrophobicContact CG1-CD1 4.45Å; V445-I474 HydrophobicContact CG1-CG1 4.35Å; V445-L601 HydrophobicContact CB-CD1 4.22Å; V445-L601 HydrophobicContact CG1-CD1 4.43Å; V445-L601 HydrophobicContact CG2-CB 3.95Å; V445-L601 HydrophobicContact CG2-CD1 3.96Å; V445-L601 HydrophobicContact CG2-CG 3.91Å; V445-F603 HydrophobicContact CG1-CD2 4.14Å; V445-F603 HydrophobicContact CG1-CE2 4.15Å; V445-I622 HydrophobicContact CG1-CD1 3.88Å
446	G	98.4	Very high	97.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.7	-45.4	173.5	0	0	0	0	0	113.2	A442 R443 A448 L449 L450 I474 G477	A442-G446 PolarHBondContact O-N 2.99Å; A442-G446 VanDerWaalsContact O-N 3.15Å; R443-G446 WeakPolarHBondContact O-CA 3.48Å; R443-G446 PolarHBondContact O-N 3.49Å; R443-G446 VanDerWaalsContact O-N 3.07Å; G446-A448 VanDerWaalsContact C-N 3.33Å; G446-A448 PolarHBondContact O-N 2.64Å; G446-L449 PolarHBondContact O-N 2.86Å; G446-L450 PolarHBondContact O-N 3.23Å; G446-I474 WeakPolarHBondContact CA-O 3.49Å; G446-G477 CarbonylContact C-O 3.52Å; G446-G477 CarbonylContact O-C 3.5Å
447	E	98.6	Very high	96.9	Very high	73 Å²	73	49.4 Å²	49.4	34%	0.341	27%	0.272	S	S	.	.	H	α-helix	trans	-62.8	-38.1	176.5	-70.7	174.9	172.6	0	0	111.6	R443 L444 L450 G451	R443-E447 HydrophobicContact CG-CG 4.41Å; R443-E447 IonicContact CZ-OE1 2.66Å; R443-E447 IonicContact NE-OE1 3.95Å; R443-E447 PolarHBondContact NE-OE1 2.85Å; R443-E447 IonicContact NH2-OE1 3.19Å; R443-E447 PolarHBondContact NH2-OE1 3.22Å; R443-E447 WeakPolarHBondContact O-CG 3.33Å; R443-E447 PolarHBondContact O-N 2.95Å; L444-E447 PolarHBondContact O-N 2.92Å; E447-L450 PolarHBondContact O-N 2.8Å; E447-G451 PolarHBondContact O-N 3.01Å
448	A	98.2	Very high	96.9	Very high	42 Å²	42	46.1 Å²	46.1	35%	0.347	26%	0.258	S	S	.	.	H	α-helix	trans	-67	-41.4	175.2	0	0	0	0	0	112.6	L444 V445 G446 L450 G451 S452 I622	L444-A448 WeakPolarHBondContact O-CB 3.49Å; L444-A448 PolarHBondContact O-N 3.09Å; V445-A448 PolarHBondContact O-N 2.83Å; G446-A448 VanDerWaalsContact C-N 3.33Å; G446-A448 PolarHBondContact O-N 2.64Å; A448-L450 VanDerWaalsContact C-N 3.34Å; A448-G451 PolarHBondContact O-N 3.04Å; A448-S452 PolarHBondContact O-N 3.05Å; A448-S452 PolarHBondContact O-OG 3.19Å; A448-I622 HydrophobicContact CB-CB 4.13Å; A448-I622 HydrophobicContact CB-CG2 3.74Å
449	L	97.7	Very high	96.9	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-65	-37.7	175.3	-72.2	165.2	0	0	0	111.8	V445 G446 S452 H453 T454 I474 L478 F603 P621 I622	V445-L449 HydrophobicContact CG1-CD1 4.13Å; V445-L449 VanDerWaalsContact O-CG 3.32Å; V445-L449 WeakPolarHBondContact O-CG 3.37Å; V445-L449 PolarHBondContact O-N 3.31Å; G446-L449 PolarHBondContact O-N 2.86Å; L449-S452 PolarHBondContact O-OG 3.34Å; L449-H453 PolarHBondContact O-N 3.11Å; L449-T454 HydrophobicContact CD2-CG2 3.91Å; L449-T454 WeakPolarHBondContact O-CB 3.42Å; L449-T454 PolarHBondContact O-N 3.06Å; L449-I474 HydrophobicContact CD1-CG2 4.34Å; L449-L478 HydrophobicContact CB-CD2 3.63Å; L449-L478 HydrophobicContact CB-CG 4.4Å; L449-L478 HydrophobicContact CD1-CD1 4.45Å; L449-F603 HydrophobicContact CD1-CE2 4.25Å; L449-F603 HydrophobicContact CD1-CZ 4.47Å; L449-F603 HydrophobicContact CD2-CZ 4.09Å; L449-P621 HydrophobicContact CD2-CG 4.14Å; L449-I622 HydrophobicContact CB-CG2 4.48Å; L449-I622 HydrophobicContact CD2-CD1 4.3Å; L449-I622 HydrophobicContact CD2-CG2 3.79Å; L449-I622 HydrophobicContact CG-CD1 4.26Å; L449-I622 HydrophobicContact CG-CG2 3.96Å
450	L	97.4	Very high	96.9	Very high	67 Å²	67	45.2 Å²	45.2	35%	0.351	25%	0.252	S	S	.	.	H	α-helix	trans	-64.6	-44.6	173	-178.1	61.9	0	0	0	111.1	G446 E447 A448 S452 H453 L478 Q479	G446-L450 PolarHBondContact O-N 3.23Å; E447-L450 PolarHBondContact O-N 2.8Å; A448-L450 VanDerWaalsContact C-N 3.34Å; L450-S452 VanDerWaalsContact C-N 3.34Å; L450-S452 PolarHBondContact O-N 2.92Å; L450-H453 PolarHBondContact O-N 2.81Å; L450-H453 VanDerWaalsContact O-N 3.08Å; L450-L478 HydrophobicContact CB-CD2 4.32Å; L450-Q479 HydrophobicContact CD2-CG 4.04Å
451	G	95.8	Very high	96.9	Very high	58 Å²	58	41.9 Å²	41.9	60%	0.598	23%	0.231	S	C	*	.	H	α-helix	trans	-64.4	-32	177.8	0	0	0	0	0	114.2	E447 A448 H453	E447-G451 PolarHBondContact O-N 3.01Å; A448-G451 PolarHBondContact O-N 3.04Å; G451-H453 VanDerWaalsContact C-N 3.26Å; G451-H453 PolarHBondContact O-N 3.23Å
452	S	94.9	Very high	96.9	Very high	48 Å²	48	41.5 Å²	41.5	34%	0.336	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	6.2	172.7	68.2	0	0	0	0	114.2	A448 L449 L450 T454 P621	A448-S452 PolarHBondContact O-N 3.05Å; A448-S452 PolarHBondContact O-OG 3.19Å; L449-S452 PolarHBondContact O-OG 3.34Å; L450-S452 VanDerWaalsContact C-N 3.34Å; L450-S452 PolarHBondContact O-N 2.92Å; S452-T454 PolarHBondContact O-N 3.19Å; S452-T454 PolarHBondContact OG-OG1 2.65Å; S452-P621 WeakPolarHBondContact CB-O 3.37Å; S452-P621 PolarHBondContact OG-O 3.23Å
453	H	93.4	Very high	96.9	Very high	169 Å²	169	41.8 Å²	41.8	78%	0.782	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	31.6	-176.4	-55	-43.9	0	0	0	113.7	L449 L450 G451 T455	L449-H453 PolarHBondContact O-N 3.11Å; L450-H453 PolarHBondContact O-N 2.81Å; L450-H453 VanDerWaalsContact O-N 3.08Å; G451-H453 VanDerWaalsContact C-N 3.26Å; G451-H453 PolarHBondContact O-N 3.23Å; H453-T455 PolarHBondContact O-N 2.99Å
454	T	92.3	Very high	96.9	Very high	18 Å²	18	35.5 Å²	35.5	11%	0.11	21%	0.207	C	C	.	.			trans	-80.8	114.7	178.9	-62	0	0	0	0	110.5	F380 L449 S452 I456 P621	F380-T454 HydrophobicContact CE2-CG2 3.48Å; F380-T454 VanDerWaalsContact CE2-CG2 3.48Å; F380-T454 HydrophobicContact CZ-CG2 3.78Å; L449-T454 HydrophobicContact CD2-CG2 3.91Å; L449-T454 WeakPolarHBondContact O-CB 3.42Å; L449-T454 PolarHBondContact O-N 3.06Å; S452-T454 PolarHBondContact O-N 3.19Å; S452-T454 PolarHBondContact OG-OG1 2.65Å; T454-I456 HydrophobicContact CG2-CD1 4.12Å; T454-P621 HydrophobicContact CG2-CG 4.02Å; T454-P621 WeakPolarHBondContact OG1-CB 3.26Å; T454-P621 WeakPolarHBondContact OG1-CG 3.29Å
455	T	91.8	Very high	96.8	Very high	82 Å²	82	31.9 Å²	31.9	50%	0.503	19%	0.188	S	C	.	.			trans	-75.3	131.2	174.9	51.1	0	0	0	0	111.2	H453 T563	H453-T455 PolarHBondContact O-N 2.99Å; T455-T563 WeakPolarHBondContact O-CB 3.18Å; T455-T563 WeakPolarHBondContact O-CG2 3.44Å; T455-T563 PolarHBondContact O-OG1 3Å
456	I	95.6	Very high	96.8	Very high	9 Å²	9	31.5 Å²	31.5	5%	0.046	19%	0.186	C	C	.	.			trans	-113.7	114.2	170.9	-54.5	-59.4	0	0	0	108.7	F380 T454 V459 L478 T563 L565	F380-I456 HydrophobicContact CD2-CD1 3.61Å; F380-I456 HydrophobicContact CE2-CD1 3.66Å; T454-I456 HydrophobicContact CG2-CD1 4.12Å; I456-V459 HydrophobicContact CG2-CG2 3.68Å; I456-L478 HydrophobicContact CB-CD1 4.31Å; I456-L478 HydrophobicContact CG1-CD1 3.76Å; I456-L478 HydrophobicContact CG1-CD2 4.47Å; I456-T563 HydrophobicContact CD1-CG2 3.88Å; I456-L565 HydrophobicContact CD1-CB 4.48Å; I456-L565 HydrophobicContact CG2-CB 3.85Å
457	D	95	Very high	96.8	Very high	60 Å²	60	31.5 Å²	31.5	32%	0.321	19%	0.186	S	C	.	.			trans	-88.2	-40.2	-177.2	-58	-52.6	0	0	0	111.2	T562 T563	D457-T562 PolarHBondContact OD2-N 2.91Å; D457-T562 PolarHBondContact OD2-OG1 2.79Å; D457-T563 WeakPolarHBondContact CB-O 3.42Å; D457-T563 PolarHBondContact N-O 3.28Å; D457-T563 PolarHBondContact OD2-N 2.84Å
458	F	97.3	Very high	96.8	Very high	25 Å²	25	28 Å²	28	11%	0.11	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.2	-178.9	-53.7	-76.7	0	0	0	111.8	Y460 C557 L560 T563 V564 L565	F458-Y460 HydrophobicContact CB-CD2 4.27Å; F458-Y460 HydrophobicContact CB-CE2 3.89Å; F458-C557 HydrophobicContact CD2-CB 3.72Å; F458-C557 WeakPolarHBondContact CD2-SG 3.29Å; F458-C557 HydrophobicContact CE2-CB 3.79Å; F458-L560 HydrophobicContact CE1-CB 4.47Å; F458-L560 HydrophobicContact CE2-CB 4.27Å; F458-L560 HydrophobicContact CZ-CB 3.57Å; F458-T563 PolarHBondContact N-O 3.11Å; F458-V564 HydrophobicContact CB-CG2 4.42Å; F458-V564 HydrophobicContact CD2-CG2 4.2Å; F458-L565 PolarHBondContact O-N 3.44Å
459	V	98.4	Very high	96.9	Very high	1 Å²	1	27 Å²	27	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	118.7	172.9	-178.1	0	0	0	0	109.3	I456 A471 L475 T484 I486 R487 L565 V567	I456-V459 HydrophobicContact CG2-CG2 3.68Å; V459-A471 HydrophobicContact CG1-CB 4.06Å; V459-L475 HydrophobicContact CG2-CD2 3.92Å; V459-L475 HydrophobicContact CG2-CG 4.42Å; V459-T484 HydrophobicContact CG2-CG2 4.04Å; V459-I486 HydrophobicContact CG1-CG1 4.45Å; V459-I486 HydrophobicContact CG1-CG2 4.46Å; V459-R487 PolarHBondContact O-N 3.43Å; V459-L565 WeakPolarHBondContact CA-O 3.42Å; V459-L565 HydrophobicContact CG1-CD2 4.47Å; V459-L565 HydrophobicContact CG2-CB 4.36Å; V459-L565 HydrophobicContact CG2-CD2 4.31Å; V459-V567 HydrophobicContact CG1-CG2 4.3Å
460	Y	98.8	Very high	96.9	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	146.7	171.8	-71.4	-103.7	0	0	0	109.6	F458 R487 E489 Y524 I553 E556 V564 L565 I566 V567	F458-Y460 HydrophobicContact CB-CD2 4.27Å; F458-Y460 HydrophobicContact CB-CE2 3.89Å; Y460-R487 CarbonylContact C-O 3.6Å; Y460-R487 VanDerWaalsContact CA-O 3.29Å; Y460-R487 WeakPolarHBondContact CA-O 3.5Å; Y460-R487 HydrophobicContact CD1-CB 3.58Å; Y460-R487 HydrophobicContact CE1-CB 3.81Å; Y460-R487 HydrophobicContact CE1-CG 4.37Å; Y460-R487 HydrophobicContact CG-CB 4.01Å; Y460-R487 VanDerWaalsContact CZ-CD 3.45Å; Y460-R487 PolarHBondContact OH-NH1 3.15Å; Y460-E489 HydrophobicContact CD1-CB 4.38Å; Y460-Y524 HydrophobicContact CE1-CE1 4.47Å; Y460-Y524 AromaticContact CE1-CE2 3.77Å; Y460-Y524 HydrophobicContact CE1-CE2 3.77Å; Y460-Y524 AromaticContact CE1-CZ 3.66Å; Y460-Y524 WeakPolarHBondContact CE1-OH 3.46Å; Y460-I553 HydrophobicContact CD1-CD1 3.66Å; Y460-I553 HydrophobicContact CD1-CG1 3.85Å; Y460-I553 HydrophobicContact CD1-CG2 4.46Å; Y460-I553 HydrophobicContact CD2-CG2 3.79Å; Y460-I553 HydrophobicContact CE1-CB 4.44Å; Y460-I553 HydrophobicContact CE1-CD1 4Å; Y460-I553 HydrophobicContact CE1-CG1 3.62Å; Y460-I553 HydrophobicContact CE1-CG2 4.2Å; Y460-I553 HydrophobicContact CE2-CG1 4.49Å; Y460-I553 HydrophobicContact CE2-CG2 3.51Å; Y460-I553 HydrophobicContact CG-CD1 3.95Å; Y460-I553 HydrophobicContact CG-CG1 4.36Å; Y460-I553 HydrophobicContact CG-CG2 4.25Å; Y460-E556 PolarHBondContact OH-OE2 2.86Å; Y460-V564 HydrophobicContact CD2-CG1 3.93Å; Y460-V564 HydrophobicContact CE2-CG1 4.28Å; Y460-L565 PolarHBondContact N-O 3.5Å; Y460-I566 WeakPolarHBondContact O-CA 3.39Å; Y460-V567 PolarHBondContact O-N 3.14Å
461	C	98.6	Very high	97	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	158.4	173.5	78.4	0	0	0	0	113.2	I468 A471 I486 R487 E489 V567	C461-I468 WeakPolarHBondContact SG-CG1 3.45Å; C461-A471 HydrophobicContact CB-CB 4.28Å; C461-I486 HydrophobicContact CB-CG2 4.01Å; C461-I486 WeakPolarHBondContact SG-CG2 3.37Å; C461-R487 PolarHBondContact N-O 3.29Å; C461-E489 PolarHBondContact O-N 3.36Å; C461-V567 WeakPolarHBondContact CA-O 3.39Å; C461-V567 HydrophobicContact CB-CB 4.15Å; C461-V567 VanDerWaalsContact CB-O 3.27Å; C461-V567 WeakPolarHBondContact CB-O 3.41Å
462	S	98.8	Very high	97.1	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.115	C	C	.	.			trans	-65.1	149.4	166.1	-180	0	0	0	0	111.2	S464 L492 F493 V567 H569	S462-S464 PolarHBondContact O-N 3.33Å; S462-S464 VanDerWaalsContact O-N 3.15Å; S462-L492 WeakPolarHBondContact CB-O 3.4Å; S462-F493 VanDerWaalsContact OG-CA 3.28Å; S462-F493 WeakPolarHBondContact OG-CA 3.33Å; S462-V567 PolarHBondContact N-O 3.24Å; S462-V567 VanDerWaalsContact N-O 3.15Å; S462-H569 WeakPolarHBondContact CB-NE2 3.3Å; S462-H569 PolarHBondContact OG-NE2 3.13Å
463	P	98.3	Very high	97.3	Very high	6 Å²	6	21.3 Å²	21.3	4%	0.039	11%	0.109	C	C	.	.	S	Bend	trans	-68.1	-5.3	178.2	29.3	-40.3	0	0	0	115.2	L465 I468 V488 E489 P490 F493 W507	P463-L465 PolarHBondContact O-N 3.27Å; P463-I468 WeakPolarHBondContact O-CD1 3.46Å; P463-V488 HydrophobicContact CB-CG1 3.76Å; P463-E489 WeakPolarHBondContact CD-O 3.42Å; P463-P490 HydrophobicContact CG-CB 4.14Å; P463-P490 HydrophobicContact CG-CG 4.46Å; P463-F493 HydrophobicContact CG-CB 4.43Å; P463-W507 HydrophobicContact CB-CB 4.22Å; P463-W507 HydrophobicContact CB-CD2 3.94Å; P463-W507 HydrophobicContact CB-CE3 4.36Å; P463-W507 HydrophobicContact CB-CG 3.86Å; P463-W507 HydrophobicContact CG-CD2 3.88Å; P463-W507 HydrophobicContact CG-CE3 4.16Å; P463-W507 HydrophobicContact CG-CG 4.28Å; P463-W507 HydrophobicContact CG-CZ2 4.24Å; P463-W507 HydrophobicContact CG-CZ3 4.46Å; P463-W507 VanDerWaalsContact O-CD1 3.22Å
464	S	98.1	Very high	97.5	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.007	7%	0.071	C	C	.	.	S	Bend	trans	-64.5	134.1	173.4	-48.6	0	0	0	0	110.8	D431 S462 R466 C467 I468 F493 H569	D431-S464 VanDerWaalsContact OD1-CA 3.23Å; D431-S464 WeakPolarHBondContact OD1-CA 3.27Å; S462-S464 PolarHBondContact O-N 3.33Å; S462-S464 VanDerWaalsContact O-N 3.15Å; S464-R466 VanDerWaalsContact C-N 3.26Å; S464-R466 PolarHBondContact O-N 3.04Å; S464-C467 WeakPolarHBondContact O-CA 3.39Å; S464-C467 WeakPolarHBondContact O-CB 3.31Å; S464-C467 PolarHBondContact O-N 3.48Å; S464-I468 PolarHBondContact O-N 3.46Å; S464-F493 VanDerWaalsContact OG-CD2 3.31Å; S464-F493 WeakPolarHBondContact OG-CD2 3.37Å; S464-F493 VanDerWaalsContact OG-CE2 3.25Å; S464-F493 WeakPolarHBondContact OG-CE2 3.27Å; S464-H569 PolarHBondContact OG-CE1 3.03Å
465	L	98	Very high	97.8	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-54.5	-43.3	-175.7	178.9	61.9	0	0	0	112.1	Y428 D431 P433 P463 C467 I468 Q469 I508 L513	Y428-L465 HydrophobicContact CD1-CD2 4.25Å; Y428-L465 HydrophobicContact CE1-CD2 3.5Å; Y428-L465 VanDerWaalsContact CE1-CD2 3.5Å; D431-L465 PolarHBondContact OD1-N 2.97Å; P433-L465 HydrophobicContact CB-CD2 4.06Å; P463-L465 PolarHBondContact O-N 3.27Å; L465-C467 PolarHBondContact O-N 2.98Å; L465-I468 PolarHBondContact O-N 2.97Å; L465-Q469 HydrophobicContact CD1-CG 3.89Å; L465-Q469 HydrophobicContact CG-CG 4.14Å; L465-Q469 WeakPolarHBondContact O-CB 3.45Å; L465-Q469 WeakPolarHBondContact O-CG 3.46Å; L465-Q469 PolarHBondContact O-N 3.31Å; L465-I508 HydrophobicContact CD1-CD1 4.22Å; L465-I508 HydrophobicContact CD2-CD1 4.47Å; L465-L513 HydrophobicContact CD1-CD2 4.26Å
466	R	98.4	Very high	98.1	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.008	6%	0.058	C	C	.	.	H	α-helix	trans	-53.7	-37	174.4	61.7	-173.8	-172.2	-97.5	3	114.1	H384 R387 C432 I434 S464 T470 E494 H569	H384-R466 HydrophobicContact CB-CB 4.35Å; H384-R466 HydrophobicContact CB-CG 4.21Å; H384-R466 PolarHBondContact CD2-NE 3.42Å; H384-R466 VanDerWaalsContact CD2-NE 3.32Å; H384-R466 PolarHBondContact NE2-NE 3.36Å; H384-R466 VanDerWaalsContact NE2-NE 3.2Å; R387-R466 VanDerWaalsContact NH1-CZ 3.34Å; C432-R466 PolarHBondContact O-N 3.47Å; I434-R466 HydrophobicContact CG2-CB 3.79Å; S464-R466 VanDerWaalsContact C-N 3.26Å; S464-R466 PolarHBondContact O-N 3.04Å; R466-T470 WeakPolarHBondContact O-CB 3.45Å; R466-T470 PolarHBondContact O-N 2.9Å; R466-T470 PolarHBondContact O-OG1 3.32Å; R466-E494 IonicContact CZ-OE1 2.93Å; R466-E494 IonicContact NH2-OE1 3.37Å; R466-E494 PolarHBondContact NH2-OE1 2.71Å; R466-E494 IonicContact NH2-OE2 2.75Å; R466-E494 PolarHBondContact NH2-OE2 2.78Å; R466-H569 PolarHBondContact NH2-CE1 2.94Å; R466-H569 PolarHBondContact NH2-ND1 3.5Å
467	C	98.8	Very high	98.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-75.1	-43.2	179.9	-58.3	0	0	0	0	111.1	S464 L465 T470 A471 V567 A568 H569	S464-C467 WeakPolarHBondContact O-CA 3.39Å; S464-C467 WeakPolarHBondContact O-CB 3.31Å; S464-C467 PolarHBondContact O-N 3.48Å; L465-C467 PolarHBondContact O-N 2.98Å; C467-T470 PolarHBondContact O-N 3.04Å; C467-A471 PolarHBondContact O-N 3.37Å; C467-V567 WeakPolarHBondContact O-CG1 3.13Å; C467-A568 PolarHBondContact SG-O 3.32Å; C467-H569 PolarHBondContact SG-CE1 2.77Å
468	I	98.5	Very high	98.2	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.005	4%	0.044	C	C	.	.	H	α-helix	trans	-62.8	-45.7	176.1	-59.9	151.1	0	0	0	110.7	C461 P463 S464 L465 T470 A471 Q472 V488 L513 L518 V520	C461-I468 WeakPolarHBondContact SG-CG1 3.45Å; P463-I468 WeakPolarHBondContact O-CD1 3.46Å; S464-I468 PolarHBondContact O-N 3.46Å; L465-I468 PolarHBondContact O-N 2.97Å; I468-T470 VanDerWaalsContact C-N 3.34Å; I468-T470 PolarHBondContact O-N 3.3Å; I468-A471 PolarHBondContact O-N 3.33Å; I468-Q472 PolarHBondContact O-N 3.06Å; I468-V488 HydrophobicContact CG1-CG2 4.38Å; I468-L513 HydrophobicContact CD1-CD1 3.58Å; I468-L513 HydrophobicContact CD1-CD2 4.11Å; I468-L513 HydrophobicContact CG1-CD1 4.48Å; I468-L513 HydrophobicContact CG2-CD2 4.37Å; I468-L518 HydrophobicContact CG2-CB 4.46Å; I468-L518 HydrophobicContact CG2-CD1 4.02Å; I468-V520 HydrophobicContact CG2-CG2 4.01Å
469	Q	98.5	Very high	98.2	Very high	21 Å²	21	15.1 Å²	15.1	10%	0.098	7%	0.072	C	C	.	.	H	α-helix	trans	-64.6	-36.6	176.6	-71	178.6	-45	0	0	112.1	P433 I434 L465 Q472 H473	P433-Q469 VanDerWaalsContact CB-OE1 3.29Å; I434-Q469 HydrophobicContact CD1-CB 3.62Å; I434-Q469 HydrophobicContact CG1-CB 3.74Å; L465-Q469 HydrophobicContact CD1-CG 3.89Å; L465-Q469 HydrophobicContact CG-CG 4.14Å; L465-Q469 WeakPolarHBondContact O-CB 3.45Å; L465-Q469 WeakPolarHBondContact O-CG 3.46Å; L465-Q469 PolarHBondContact O-N 3.31Å; Q469-Q472 PolarHBondContact O-N 3.17Å; Q469-H473 PolarHBondContact O-N 2.66Å; Q469-H473 VanDerWaalsContact O-N 3.17Å; Q469-H473 PolarHBondContact O-ND1 2.71Å
470	T	98.8	Very high	98	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.8	-46.9	173.5	-56.5	0	0	0	0	110.3	H384 G385 A442 R466 C467 I468 Q472 H473 I474 V567 L601	H384-T470 WeakPolarHBondContact CA-OG1 3.48Å; H384-T470 WeakPolarHBondContact CB-OG1 3.3Å; G385-T470 PolarHBondContact N-OG1 3.2Å; A442-T470 HydrophobicContact CB-CG2 3.74Å; R466-T470 WeakPolarHBondContact O-CB 3.45Å; R466-T470 PolarHBondContact O-N 2.9Å; R466-T470 PolarHBondContact O-OG1 3.32Å; C467-T470 PolarHBondContact O-N 3.04Å; I468-T470 VanDerWaalsContact C-N 3.34Å; I468-T470 PolarHBondContact O-N 3.3Å; T470-Q472 VanDerWaalsContact C-N 3.31Å; T470-Q472 PolarHBondContact O-N 3.47Å; T470-H473 PolarHBondContact O-N 3.11Å; T470-I474 HydrophobicContact CG2-CD1 3.88Å; T470-I474 HydrophobicContact CG2-CG1 4.45Å; T470-I474 WeakPolarHBondContact O-CG1 3.44Å; T470-I474 PolarHBondContact O-N 2.94Å; T470-V567 HydrophobicContact CG2-CG1 3.66Å; T470-L601 HydrophobicContact CG2-CD1 3.77Å; T470-L601 HydrophobicContact CG2-CD2 4.23Å
471	A	98.6	Very high	97.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-60	-39.8	178	0	0	0	0	0	112.4	V459 C461 C467 I468 I474 L475 I486 V567	V459-A471 HydrophobicContact CG1-CB 4.06Å; C461-A471 HydrophobicContact CB-CB 4.28Å; C467-A471 PolarHBondContact O-N 3.37Å; I468-A471 PolarHBondContact O-N 3.33Å; A471-I474 PolarHBondContact O-N 3.27Å; A471-L475 WeakPolarHBondContact O-CG 3.16Å; A471-L475 PolarHBondContact O-N 3.14Å; A471-I486 HydrophobicContact CB-CD1 3.91Å; A471-I486 HydrophobicContact CB-CG1 4.18Å; A471-I486 HydrophobicContact CB-CG2 4.03Å; A471-V567 HydrophobicContact CB-CB 4.01Å; A471-V567 HydrophobicContact CB-CG1 4.23Å; A471-V567 HydrophobicContact CB-CG2 3.83Å
472	Q	98.1	Very high	96.9	Very high	10 Å²	10	24.5 Å²	24.5	5%	0.047	13%	0.133	C	C	.	.	H	α-helix	trans	-59.7	-47.7	174.8	-177	65.8	19.9	0	0	112.4	I468 Q469 T470 L475 Q476 I486 L518	I468-Q472 PolarHBondContact O-N 3.06Å; Q469-Q472 PolarHBondContact O-N 3.17Å; T470-Q472 VanDerWaalsContact C-N 3.31Å; T470-Q472 PolarHBondContact O-N 3.47Å; Q472-L475 PolarHBondContact O-N 3.28Å; Q472-Q476 WeakPolarHBondContact O-CG 3.48Å; Q472-Q476 PolarHBondContact O-N 2.93Å; Q472-I486 HydrophobicContact CB-CD1 4.29Å; Q472-L518 HydrophobicContact CB-CD2 4.05Å; Q472-L518 HydrophobicContact CG-CD2 3.87Å
473	H	98.6	Very high	96.4	Very high	43 Å²	43	32.8 Å²	32.8	20%	0.199	17%	0.169	C	C	.	.	H	α-helix	trans	-73.8	-31.2	-177.9	-69.5	96.7	0	0	0	112.5	A442 R443 Q469 T470 Q476 G477	A442-H473 HydrophobicContact CB-CB 3.67Å; R443-H473 WeakPolarHBondContact CA-O 3.43Å; R443-H473 HydrophobicContact CB-CB 4.47Å; Q469-H473 PolarHBondContact O-N 2.66Å; Q469-H473 VanDerWaalsContact O-N 3.17Å; Q469-H473 PolarHBondContact O-ND1 2.71Å; T470-H473 PolarHBondContact O-N 3.11Å; H473-Q476 PolarHBondContact CD2-OE1 3.28Å; H473-Q476 PolarHBondContact O-N 3.23Å; H473-G477 PolarHBondContact O-N 3.44Å
474	I	98.6	Very high	96.2	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-61.6	-45	168.1	-68.2	166.5	0	0	0	110.2	A442 V445 G446 L449 T470 A471 Q476 G477 L478 L565 V567 L601	A442-I474 HydrophobicContact CB-CG1 4.2Å; A442-I474 WeakPolarHBondContact O-CA 3.22Å; A442-I474 VanDerWaalsContact O-CG1 3.22Å; A442-I474 WeakPolarHBondContact O-CG1 3.45Å; V445-I474 HydrophobicContact CG1-CD1 4.45Å; V445-I474 HydrophobicContact CG1-CG1 4.35Å; G446-I474 WeakPolarHBondContact CA-O 3.49Å; L449-I474 HydrophobicContact CD1-CG2 4.34Å; T470-I474 HydrophobicContact CG2-CD1 3.88Å; T470-I474 HydrophobicContact CG2-CG1 4.45Å; T470-I474 WeakPolarHBondContact O-CG1 3.44Å; T470-I474 PolarHBondContact O-N 2.94Å; A471-I474 PolarHBondContact O-N 3.27Å; I474-Q476 VanDerWaalsContact C-N 3.32Å; I474-Q476 PolarHBondContact O-N 2.94Å; I474-G477 PolarHBondContact O-N 2.95Å; I474-L478 HydrophobicContact CG2-CD1 3.84Å; I474-L478 WeakPolarHBondContact O-CB 3.42Å; I474-L478 WeakPolarHBondContact O-CG 3.44Å; I474-L478 PolarHBondContact O-N 3.4Å; I474-L565 HydrophobicContact CD1-CD2 4.5Å; I474-L565 HydrophobicContact CG2-CD2 3.85Å; I474-V567 HydrophobicContact CD1-CG1 4.48Å; I474-V567 HydrophobicContact CD1-CG2 4.11Å; I474-L601 HydrophobicContact CD1-CD1 4.06Å
475	L	97.9	Very high	96.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-62.1	-37.1	176.4	-77.8	176.8	0	0	0	112.8	V459 A471 Q472 L478 Q479 L480 E481 T484 I486	V459-L475 HydrophobicContact CG2-CD2 3.92Å; V459-L475 HydrophobicContact CG2-CG 4.42Å; A471-L475 WeakPolarHBondContact O-CG 3.16Å; A471-L475 PolarHBondContact O-N 3.14Å; Q472-L475 PolarHBondContact O-N 3.28Å; L475-L478 CarbonylContact O-C 3.44Å; L475-L478 PolarHBondContact O-N 2.87Å; L475-Q479 PolarHBondContact O-N 2.97Å; L475-L480 HydrophobicContact CD2-CB 3.77Å; L475-L480 PolarHBondContact O-N 3.5Å; L475-E481 HydrophobicContact CB-CB 4.24Å; L475-T484 HydrophobicContact CD2-CG2 4.11Å; L475-I486 HydrophobicContact CD1-CD1 4.04Å; L475-I486 HydrophobicContact CD1-CG1 3.55Å
476	Q	97.6	Very high	96.2	Very high	71 Å²	71	37.8 Å²	37.8	33%	0.332	19%	0.191	S	C	.	.	H	α-helix	trans	-65.2	-43.4	173.5	-73	171.1	-15.6	0	0	112.4	Q472 H473 I474 L478 Q479 E481	Q472-Q476 WeakPolarHBondContact O-CG 3.48Å; Q472-Q476 PolarHBondContact O-N 2.93Å; H473-Q476 PolarHBondContact CD2-OE1 3.28Å; H473-Q476 PolarHBondContact O-N 3.23Å; I474-Q476 VanDerWaalsContact C-N 3.32Å; I474-Q476 PolarHBondContact O-N 2.94Å; Q476-L478 VanDerWaalsContact C-N 3.26Å; Q476-L478 PolarHBondContact O-N 3.44Å; Q476-Q479 PolarHBondContact O-N 3.18Å; Q476-Q479 VanDerWaalsContact O-N 3.08Å; Q476-E481 HydrophobicContact CG-CB 4.38Å; Q476-E481 HydrophobicContact CG-CG 4.33Å
477	G	97.7	Very high	96.2	Very high	3 Å²	3	39.6 Å²	39.6	3%	0.031	20%	0.198	C	C	.	.	H	α-helix	trans	-63.3	-34.1	174.4	0	0	0	0	0	112.8	G446 H473 I474 Q479	G446-G477 CarbonylContact C-O 3.52Å; G446-G477 CarbonylContact O-C 3.5Å; H473-G477 PolarHBondContact O-N 3.44Å; I474-G477 PolarHBondContact O-N 2.95Å; G477-Q479 VanDerWaalsContact C-N 3.32Å
478	L	96.9	Very high	96.2	Very high	8 Å²	8	40.3 Å²	40.3	4%	0.042	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-12	172.7	-78.6	167.2	0	0	0	114.5	L449 L450 I456 I474 L475 Q476 L480	L449-L478 HydrophobicContact CB-CD2 3.63Å; L449-L478 HydrophobicContact CB-CG 4.4Å; L449-L478 HydrophobicContact CD1-CD1 4.45Å; L450-L478 HydrophobicContact CB-CD2 4.32Å; I456-L478 HydrophobicContact CB-CD1 4.31Å; I456-L478 HydrophobicContact CG1-CD1 3.76Å; I456-L478 HydrophobicContact CG1-CD2 4.47Å; I474-L478 HydrophobicContact CG2-CD1 3.84Å; I474-L478 WeakPolarHBondContact O-CB 3.42Å; I474-L478 WeakPolarHBondContact O-CG 3.44Å; I474-L478 PolarHBondContact O-N 3.4Å; L475-L478 CarbonylContact O-C 3.44Å; L475-L478 PolarHBondContact O-N 2.87Å; Q476-L478 VanDerWaalsContact C-N 3.26Å; Q476-L478 PolarHBondContact O-N 3.44Å; L478-L480 VanDerWaalsContact C-N 3.27Å; L478-L480 HydrophobicContact CB-CB 4.18Å; L478-L480 HydrophobicContact CB-CD1 3.98Å; L478-L480 HydrophobicContact CB-CG 3.96Å; L478-L480 HydrophobicContact CD1-CD1 4.28Å; L478-L480 PolarHBondContact O-N 3Å
479	Q	96.6	Very high	96.2	Very high	151 Å²	151	40.2 Å²	40.2	71%	0.706	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.3	36.5	-171.5	-51.9	175.4	14.4	0	0	113	L450 L475 Q476 G477	L450-Q479 HydrophobicContact CD2-CG 4.04Å; L475-Q479 PolarHBondContact O-N 2.97Å; Q476-Q479 PolarHBondContact O-N 3.18Å; Q476-Q479 VanDerWaalsContact O-N 3.08Å; G477-Q479 VanDerWaalsContact C-N 3.32Å
480	L	93.6	Very high	96.2	Very high	34 Å²	34	39.6 Å²	39.6	18%	0.178	20%	0.199	C	C	.	.			trans	-115.4	0.3	-175.3	-71.2	-179.2	0	0	0	114.1	L475 L478 A482 K483 T484	L475-L480 HydrophobicContact CD2-CB 3.77Å; L475-L480 PolarHBondContact O-N 3.5Å; L478-L480 VanDerWaalsContact C-N 3.27Å; L478-L480 HydrophobicContact CB-CB 4.18Å; L478-L480 HydrophobicContact CB-CD1 3.98Å; L478-L480 HydrophobicContact CB-CG 3.96Å; L478-L480 HydrophobicContact CD1-CD1 4.28Å; L478-L480 PolarHBondContact O-N 3Å; L480-A482 PolarHBondContact O-N 3.12Å; L480-A482 VanDerWaalsContact O-N 3.09Å; L480-K483 HydrophobicContact CD2-CB 4.48Å; L480-K483 HydrophobicContact CD2-CD 4.13Å; L480-K483 PolarHBondContact O-N 3.15Å; L480-T484 PolarHBondContact O-N 3.32Å
481	E	87.3	Confident	96.1	Very high	70 Å²	70	39.6 Å²	39.6	33%	0.327	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-24.6	-172.8	70.1	-86.9	-152.8	0	0	114.5	L475 Q476 S519	L475-E481 HydrophobicContact CB-CB 4.24Å; Q476-E481 HydrophobicContact CG-CB 4.38Å; Q476-E481 HydrophobicContact CG-CG 4.33Å; E481-S519 WeakPolarHBondContact O-CB 3.34Å; E481-S519 PolarHBondContact O-OG 2.69Å
482	A	87	Confident	96.1	Very high	93 Å²	93	39.7 Å²	39.7	77%	0.769	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-26.3	174.5	0	0	0	0	0	113.4	L480	L480-A482 PolarHBondContact O-N 3.12Å; L480-A482 VanDerWaalsContact O-N 3.09Å
483	K	89.6	Confident	96.2	Very high	175 Å²	175	39.2 Å²	39.2	76%	0.761	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-40.9	-171	-174.6	-176.8	175.5	-168	0	112.9	L480	L480-K483 HydrophobicContact CD2-CB 4.48Å; L480-K483 HydrophobicContact CD2-CD 4.13Å; L480-K483 PolarHBondContact O-N 3.15Å
484	T	93.3	Very high	96.1	Very high	16 Å²	16	38.5 Å²	38.5	10%	0.098	20%	0.195	C	C	.	.			trans	-107.2	137	-174.8	-55.9	0	0	0	0	109.8	V459 L475 L480	V459-T484 HydrophobicContact CG2-CG2 4.04Å; L475-T484 HydrophobicContact CD2-CG2 4.11Å; L480-T484 PolarHBondContact O-N 3.32Å
485	K	97.1	Very high	96	Very high	95 Å²	95	39.1 Å²	39.1	41%	0.413	20%	0.197	S	C	.	.			trans	-110	142.2	177.6	-61.2	-60.9	-179.1	-169.9	0	111.4	S519 D521	K485-S519 CarbonylContact C-O 3.59Å; K485-S519 WeakPolarHBondContact CA-O 3.31Å; K485-S519 WeakPolarHBondContact CD-O 3.39Å; K485-D521 HydrophobicContact CB-CB 3.78Å
486	I	98.4	Very high	95.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	118	-177	-55.3	164.6	0	0	0	108.8	V459 C461 A471 Q472 L475 S519 V520 D521	V459-I486 HydrophobicContact CG1-CG1 4.45Å; V459-I486 HydrophobicContact CG1-CG2 4.46Å; C461-I486 HydrophobicContact CB-CG2 4.01Å; C461-I486 WeakPolarHBondContact SG-CG2 3.37Å; A471-I486 HydrophobicContact CB-CD1 3.91Å; A471-I486 HydrophobicContact CB-CG1 4.18Å; A471-I486 HydrophobicContact CB-CG2 4.03Å; Q472-I486 HydrophobicContact CB-CD1 4.29Å; L475-I486 HydrophobicContact CD1-CD1 4.04Å; L475-I486 HydrophobicContact CD1-CG1 3.55Å; I486-S519 PolarHBondContact N-O 2.96Å; I486-V520 HydrophobicContact CB-CG2 4.48Å; I486-V520 WeakPolarHBondContact O-CA 3.18Å; I486-D521 PolarHBondContact O-N 3.24Å
487	R	98.5	Very high	95.5	Very high	40 Å²	40	41.7 Å²	41.7	15%	0.151	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	113.1	177.3	-66.9	175.6	172.5	-168.1	-10.4	110	V459 Y460 C461 E489 D521 Y524 E556	V459-R487 PolarHBondContact O-N 3.43Å; Y460-R487 CarbonylContact C-O 3.6Å; Y460-R487 VanDerWaalsContact CA-O 3.29Å; Y460-R487 WeakPolarHBondContact CA-O 3.5Å; Y460-R487 HydrophobicContact CD1-CB 3.58Å; Y460-R487 HydrophobicContact CE1-CB 3.81Å; Y460-R487 HydrophobicContact CE1-CG 4.37Å; Y460-R487 HydrophobicContact CG-CB 4.01Å; Y460-R487 VanDerWaalsContact CZ-CD 3.45Å; Y460-R487 PolarHBondContact OH-NH1 3.15Å; C461-R487 PolarHBondContact N-O 3.29Å; R487-E489 PolarHBondContact O-N 2.77Å; R487-D521 HydrophobicContact CG-CB 4.24Å; R487-D521 IonicContact NE-OD2 3.3Å; R487-Y524 HydrophobicContact CB-CD1 3.81Å; R487-Y524 HydrophobicContact CB-CD2 4.04Å; R487-Y524 HydrophobicContact CB-CE1 4.05Å; R487-Y524 HydrophobicContact CB-CE2 4.31Å; R487-Y524 HydrophobicContact CB-CG 3.81Å; R487-Y524 HydrophobicContact CG-CD1 4.37Å; R487-Y524 HydrophobicContact CG-CD2 3.87Å; R487-Y524 HydrophobicContact CG-CE2 4.44Å; R487-Y524 HydrophobicContact CG-CG 3.85Å; R487-E556 IonicContact CZ-OE1 3.54Å; R487-E556 IonicContact NH1-OE1 3.75Å; R487-E556 PolarHBondContact NH1-OE1 2.87Å; R487-E556 IonicContact NH2-OE1 2.78Å
488	V	98.6	Very high	94.9	Very high	15 Å²	15	46 Å²	46	9%	0.091	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	110.9	-178.3	179.8	0	0	0	0	110	P463 I468 L513 V520 Y524	P463-V488 HydrophobicContact CB-CG1 3.76Å; I468-V488 HydrophobicContact CG1-CG2 4.38Å; V488-L513 HydrophobicContact CG2-CD1 4.49Å; V488-V520 HydrophobicContact CG2-CG1 3.81Å; V488-V520 HydrophobicContact CG2-CG2 4.31Å; V488-Y524 WeakPolarHBondContact O-CE1 3.25Å
489	E	98.6	Very high	94.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.226	C	C	.	.			trans	-117.2	105.1	-176.8	173.1	54	-91.3	0	0	110.5	Y460 C461 P463 R487 G491 L492 Y524 P526 H527 Y528 V549 I553	Y460-E489 HydrophobicContact CD1-CB 4.38Å; C461-E489 PolarHBondContact O-N 3.36Å; P463-E489 WeakPolarHBondContact CD-O 3.42Å; R487-E489 PolarHBondContact O-N 2.77Å; E489-G491 PolarHBondContact O-N 2.89Å; E489-G491 WeakPolarHBondContact OE1-CA 3.44Å; E489-G491 PolarHBondContact OE1-N 2.92Å; E489-L492 HydrophobicContact CB-CD1 3.97Å; E489-L492 HydrophobicContact CB-CG 4.17Å; E489-L492 HydrophobicContact CG-CD1 4.18Å; E489-L492 HydrophobicContact CG-CG 3.9Å; E489-L492 WeakPolarHBondContact O-CB 3.43Å; E489-L492 PolarHBondContact O-N 3.47Å; E489-Y524 HydrophobicContact CB-CE1 4.22Å; E489-Y524 PolarHBondContact OE2-OH 3.26Å; E489-Y524 VanDerWaalsContact OE2-OH 3.07Å; E489-P526 WeakPolarHBondContact OE2-CA 3.26Å; E489-H527 WeakPolarHBondContact OE2-CB 3.3Å; E489-H527 IonicContact OE2-CD2 3.21Å; E489-H527 PolarHBondContact OE2-CD2 3.37Å; E489-H527 IonicContact OE2-CG 3.64Å; E489-H527 PolarHBondContact OE2-N 3.02Å; E489-Y528 PolarHBondContact OE1-N 3.42Å; E489-Y528 VanDerWaalsContact OE1-O 3.11Å; E489-Y528 PolarHBondContact OE2-N 3.05Å; E489-V549 HydrophobicContact CG-CG1 3.47Å; E489-V549 VanDerWaalsContact CG-CG1 3.47Å; E489-I553 HydrophobicContact CG-CD1 4.43Å
490	P	98.4	Very high	93.3	Very high	7 Å²	7	43.8 Å²	43.8	5%	0.045	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-58.9	-25.9	176.8	-19.7	31.4	0	0	0	114	P463 L492 F493 P526 Y528 V530 L533	P463-P490 HydrophobicContact CG-CB 4.14Å; P463-P490 HydrophobicContact CG-CG 4.46Å; P490-L492 PolarHBondContact O-N 2.88Å; P490-L492 VanDerWaalsContact O-N 3.1Å; P490-F493 VanDerWaalsContact O-CB 3.22Å; P490-F493 WeakPolarHBondContact O-CB 3.22Å; P490-F493 PolarHBondContact O-N 2.81Å; P490-P526 VanDerWaalsContact CD-CB 3.5Å; P490-P526 HydrophobicContact CG-CB 4.45Å; P490-Y528 WeakPolarHBondContact CB-O 3.5Å; P490-Y528 WeakPolarHBondContact CD-O 3.49Å; P490-V530 HydrophobicContact CB-CG2 3.86Å; P490-V530 HydrophobicContact CG-CG2 3.6Å; P490-L533 HydrophobicContact CB-CD1 3.79Å
491	G	98.1	Very high	92.6	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-56.5	-20.4	170.4	0	0	0	0	0	115.4	E489 Y528 R545	E489-G491 PolarHBondContact O-N 2.89Å; E489-G491 WeakPolarHBondContact OE1-CA 3.44Å; E489-G491 PolarHBondContact OE1-N 2.92Å; G491-Y528 PolarHBondContact N-O 3.14Å; G491-R545 PolarHBondContact O-NH1 3.15Å
492	L	98.6	Very high	92.5	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.01	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-92.4	2.4	175.4	-60.2	173.2	0	0	0	113.6	S462 E489 P490 V549 I553 I566 A568 H569	S462-L492 WeakPolarHBondContact CB-O 3.4Å; E489-L492 HydrophobicContact CB-CD1 3.97Å; E489-L492 HydrophobicContact CB-CG 4.17Å; E489-L492 HydrophobicContact CG-CD1 4.18Å; E489-L492 HydrophobicContact CG-CG 3.9Å; E489-L492 WeakPolarHBondContact O-CB 3.43Å; E489-L492 PolarHBondContact O-N 3.47Å; P490-L492 PolarHBondContact O-N 2.88Å; P490-L492 VanDerWaalsContact O-N 3.1Å; L492-V549 HydrophobicContact CD2-CG1 3.96Å; L492-V549 HydrophobicContact CG-CG1 4.13Å; L492-I553 HydrophobicContact CD1-CD1 4.18Å; L492-I553 HydrophobicContact CD2-CD1 4.47Å; L492-I566 HydrophobicContact CD1-CD1 4.48Å; L492-I566 HydrophobicContact CD1-CG1 4.39Å; L492-I566 HydrophobicContact CD1-CG2 3.97Å; L492-I566 HydrophobicContact CD2-CD1 4.05Å; L492-I566 HydrophobicContact CD2-CG2 4.19Å; L492-A568 HydrophobicContact CB-CB 4.44Å; L492-H569 PolarHBondContact O-CD2 3.37Å
493	F	98.6	Very high	92.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.252	C	S	.	.	S	Bend	trans	-63.6	149.4	172.9	-174	-112	0	0	0	112	S462 P463 S464 P490 T496 V499 P505 W507 L533 R545 H569	S462-F493 VanDerWaalsContact OG-CA 3.28Å; S462-F493 WeakPolarHBondContact OG-CA 3.33Å; P463-F493 HydrophobicContact CG-CB 4.43Å; S464-F493 VanDerWaalsContact OG-CD2 3.31Å; S464-F493 WeakPolarHBondContact OG-CD2 3.37Å; S464-F493 VanDerWaalsContact OG-CE2 3.25Å; S464-F493 WeakPolarHBondContact OG-CE2 3.27Å; P490-F493 VanDerWaalsContact O-CB 3.22Å; P490-F493 WeakPolarHBondContact O-CB 3.22Å; P490-F493 PolarHBondContact O-N 2.81Å; F493-T496 HydrophobicContact CD1-CG2 3.92Å; F493-T496 HydrophobicContact CE1-CG2 4Å; F493-V499 HydrophobicContact CE1-CG2 3.61Å; F493-V499 HydrophobicContact CZ-CG2 3.67Å; F493-P505 HydrophobicContact CZ-CG 4.15Å; F493-W507 HydrophobicContact CB-CZ2 4.47Å; F493-W507 HydrophobicContact CD1-CH2 4.05Å; F493-W507 AromaticContact CD1-CZ2 3.76Å; F493-W507 HydrophobicContact CD1-CZ2 3.76Å; F493-W507 AromaticContact CD2-CZ2 3.59Å; F493-W507 HydrophobicContact CD2-CZ2 3.59Å; F493-W507 HydrophobicContact CE1-CH2 4.35Å; F493-W507 AromaticContact CE1-CZ2 3.82Å; F493-W507 HydrophobicContact CE1-CZ2 3.82Å; F493-W507 AromaticContact CE2-CZ2 3.68Å; F493-W507 HydrophobicContact CE2-CZ2 3.68Å; F493-W507 HydrophobicContact CG-CH2 4.14Å; F493-W507 AromaticContact CG-CZ2 3.64Å; F493-W507 HydrophobicContact CG-CZ2 3.64Å; F493-W507 AromaticContact CZ-CZ2 3.79Å; F493-W507 HydrophobicContact CZ-CZ2 3.79Å; F493-L533 HydrophobicContact CB-CD1 4.32Å; F493-R545 PolarHBondContact O-NH1 2.87Å; F493-R545 PolarHBondContact O-NH2 3.45Å; F493-H569 AromaticContact CD2-NE2 3.88Å
494	E	96.4	Very high	92.8	Very high	29 Å²	29	39.9 Å²	39.9	14%	0.136	22%	0.224	C	C	.	.			trans	-60.6	171.7	-179.7	68.6	-161.8	142.9	0	0	112.6	R466 T496 W498 R545 H569	R466-E494 IonicContact CZ-OE1 2.93Å; R466-E494 IonicContact NH2-OE1 3.37Å; R466-E494 PolarHBondContact NH2-OE1 2.71Å; R466-E494 IonicContact NH2-OE2 2.75Å; R466-E494 PolarHBondContact NH2-OE2 2.78Å; E494-T496 PolarHBondContact O-N 3.15Å; E494-T496 VanDerWaalsContact O-N 3.09Å; E494-W498 HydrophobicContact CB-CE3 4.12Å; E494-W498 HydrophobicContact CB-CZ3 4.3Å; E494-W498 HydrophobicContact CG-CE3 4.32Å; E494-R545 PolarHBondContact O-NH2 3.47Å; E494-H569 HydrophobicContact CB-CB 4.07Å; E494-H569 PolarHBondContact N-CD2 3.45Å; E494-H569 VanDerWaalsContact N-CD2 3.29Å; E494-H569 PolarHBondContact N-NE2 3.25Å; E494-H569 IonicContact OE2-ND1 2.69Å
495	W	96.8	Very high	92.8	Very high	13 Å²	13	39.5 Å²	39.5	5%	0.049	22%	0.222	C	C	.	.			trans	-60	115.4	179.1	-176.9	18.1	0	0	0	110	K497 W498 E537 Y542 V592	W495-K497 HydrophobicContact CD2-CB 3.91Å; W495-K497 HydrophobicContact CG-CB 4.13Å; W495-K497 HydrophobicContact CH2-CD 3.73Å; W495-K497 HydrophobicContact CZ2-CB 4.02Å; W495-K497 HydrophobicContact CZ2-CD 3.36Å; W495-K497 HydrophobicContact CZ2-CG 4.31Å; W495-K497 HydrophobicContact CZ3-CD 4.46Å; W495-K497 PolarHBondContact O-N 3.43Å; W495-W498 HydrophobicContact CB-CD2 4.19Å; W495-W498 HydrophobicContact CB-CE3 4.1Å; W495-W498 HydrophobicContact CB-CH2 4.37Å; W495-W498 HydrophobicContact CB-CZ2 4.47Å; W495-W498 HydrophobicContact CB-CZ3 4.2Å; W495-W498 AromaticContact CE3-CE2 3.7Å; W495-W498 AromaticContact CE3-CZ2 3.7Å; W495-W498 HydrophobicContact CE3-CZ2 3.7Å; W495-W498 AromaticContact CE3-NE1 3.7Å; W495-W498 HydrophobicContact CZ3-CZ2 4.43Å; W495-W498 PolarHBondContact O-N 2.7Å; W495-E537 PolarHBondContact NE1-O 2.86Å; W495-Y542 HydrophobicContact CB-CD1 3.95Å; W495-Y542 HydrophobicContact CB-CD2 3.9Å; W495-Y542 HydrophobicContact CB-CE1 4.32Å; W495-Y542 HydrophobicContact CB-CE2 4.3Å; W495-Y542 HydrophobicContact CB-CG 3.73Å; W495-Y542 HydrophobicContact CG-CD1 4.25Å; W495-Y542 AromaticContact CG-CG 3.97Å; W495-Y542 HydrophobicContact CG-CG 3.97Å; W495-V592 HydrophobicContact CZ3-CG2 4.4Å
496	T	94.3	Very high	92.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-66.5	-8.3	-169.8	65.7	0	0	0	0	114	F493 E494 W498 V499 L504 T534 S536 E537	F493-T496 HydrophobicContact CD1-CG2 3.92Å; F493-T496 HydrophobicContact CE1-CG2 4Å; E494-T496 PolarHBondContact O-N 3.15Å; E494-T496 VanDerWaalsContact O-N 3.09Å; T496-W498 PolarHBondContact O-N 2.69Å; T496-V499 WeakPolarHBondContact O-CB 3.17Å; T496-V499 PolarHBondContact O-N 3.01Å; T496-L504 HydrophobicContact CG2-CD2 3.83Å; T496-T534 VanDerWaalsContact CB-O 3.26Å; T496-T534 WeakPolarHBondContact CB-O 3.21Å; T496-T534 WeakPolarHBondContact CG2-O 3.48Å; T496-T534 PolarHBondContact OG1-O 3.33Å; T496-S536 PolarHBondContact O-N 3.27Å; T496-S536 PolarHBondContact OG1-N 3.07Å; T496-E537 WeakPolarHBondContact CG2-OE1 3.43Å; T496-E537 PolarHBondContact N-OE1 3.34Å; T496-E537 WeakPolarHBondContact OG1-CB 3.16Å; T496-E537 VanDerWaalsContact OG1-CG 3.29Å; T496-E537 WeakPolarHBondContact OG1-CG 3.41Å; T496-E537 PolarHBondContact OG1-N 3.23Å; T496-E537 PolarHBondContact OG1-OE1 3.37Å
497	K	90.3	Very high	92.5	Very high	124 Å²	124	39 Å²	39	54%	0.539	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-64.4	-21.9	168.3	-169.5	175.6	-177	177.6	0	113.6	W495	W495-K497 HydrophobicContact CD2-CB 3.91Å; W495-K497 HydrophobicContact CG-CB 4.13Å; W495-K497 HydrophobicContact CH2-CD 3.73Å; W495-K497 HydrophobicContact CZ2-CB 4.02Å; W495-K497 HydrophobicContact CZ2-CD 3.36Å; W495-K497 HydrophobicContact CZ2-CG 4.31Å; W495-K497 HydrophobicContact CZ3-CD 4.46Å; W495-K497 PolarHBondContact O-N 3.43Å
498	W	86	Confident	92.4	Very high	93 Å²	93	37.9 Å²	37.9	35%	0.352	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-84.4	-9.2	174.4	-58.2	-31.1	0	0	0	113.5	E494 W495 T496 S500 F591 V592 V595	E494-W498 HydrophobicContact CB-CE3 4.12Å; E494-W498 HydrophobicContact CB-CZ3 4.3Å; E494-W498 HydrophobicContact CG-CE3 4.32Å; W495-W498 HydrophobicContact CB-CD2 4.19Å; W495-W498 HydrophobicContact CB-CE3 4.1Å; W495-W498 HydrophobicContact CB-CH2 4.37Å; W495-W498 HydrophobicContact CB-CZ2 4.47Å; W495-W498 HydrophobicContact CB-CZ3 4.2Å; W495-W498 AromaticContact CE3-CE2 3.7Å; W495-W498 AromaticContact CE3-CZ2 3.7Å; W495-W498 HydrophobicContact CE3-CZ2 3.7Å; W495-W498 AromaticContact CE3-NE1 3.7Å; W495-W498 HydrophobicContact CZ3-CZ2 4.43Å; W495-W498 PolarHBondContact O-N 2.7Å; T496-W498 PolarHBondContact O-N 2.69Å; W498-S500 PolarHBondContact O-N 2.9Å; W498-F591 HydrophobicContact CH2-CE1 4.14Å; W498-V592 HydrophobicContact CZ2-CG2 4.17Å; W498-V595 HydrophobicContact CH2-CG1 3.85Å; W498-V595 HydrophobicContact CH2-CG2 4.39Å; W498-V595 HydrophobicContact CZ3-CG1 4.35Å
499	V	85.3	Confident	92.2	Very high	19 Å²	19	40.1 Å²	40.1	12%	0.115	24%	0.24	C	C	.	.	S	Bend	trans	-74.7	126	174.7	180	0	0	0	0	109.8	F493 T496 S503 P505	F493-V499 HydrophobicContact CE1-CG2 3.61Å; F493-V499 HydrophobicContact CZ-CG2 3.67Å; T496-V499 WeakPolarHBondContact O-CB 3.17Å; T496-V499 PolarHBondContact O-N 3.01Å; V499-S503 WeakPolarHBondContact CG1-O 3.17Å; V499-P505 HydrophobicContact CG1-CG 4.46Å
500	S	75.3	Confident	92.1	Very high	95 Å²	95	42.7 Å²	42.7	66%	0.664	26%	0.257	S	S	*	.			trans	-75.2	134.3	177	-52.2	0	0	0	0	112.6	K430 W498	K430-S500 WeakPolarHBondContact CE-O 3.49Å; K430-S500 PolarHBondContact NZ-O 3.47Å; W498-S500 PolarHBondContact O-N 2.9Å
501	G	78.7	Confident	91.9	Very high	58 Å²	58	45.3 Å²	45.3	60%	0.598	28%	0.279	S	S	*	.	S	Bend	trans	87.6	-164.9	175.5	0	0	0	0	0	114.4
502	T	84.1	Confident	91.7	Very high	140 Å²	140	49.5 Å²	49.5	86%	0.859	30%	0.301	S	S	*	.	S	Bend	trans	-96.2	7.9	-170.2	51.3	0	0	0	0	114.5
503	S	89.6	Confident	91.5	Very high	59 Å²	59	49.4 Å²	49.4	41%	0.413	30%	0.301	S	S	.	.	S	Bend	trans	-139.9	143.4	-175.8	60.4	0	0	0	0	111.9	K430 V499	K430-S503 PolarHBondContact NZ-O 2.73Å; K430-S503 VanDerWaalsContact NZ-O 3.11Å; K430-S503 PolarHBondContact NZ-OG 2.69Å; K430-S503 VanDerWaalsContact NZ-OG 3.1Å; V499-S503 WeakPolarHBondContact CG1-O 3.17Å
504	L	93.1	Very high	91.3	Very high	33 Å²	33	51.2 Å²	51.2	17%	0.173	32%	0.316	C	S	.	.			trans	-61.9	158.1	168	-61.9	176.9	0	0	0	110.7	T496 W507 L533 V535	T496-L504 HydrophobicContact CG2-CD2 3.83Å; L504-W507 HydrophobicContact CB-CH2 4.11Å; L504-W507 HydrophobicContact CB-CZ3 4.4Å; L504-W507 HydrophobicContact CD1-CH2 4.04Å; L504-W507 HydrophobicContact CD1-CZ3 4.19Å; L504-W507 HydrophobicContact CD2-CH2 4.5Å; L504-W507 HydrophobicContact CG-CH2 4.45Å; L504-L533 HydrophobicContact CD1-CB 3.67Å; L504-V535 HydrophobicContact CD2-CG2 4.07Å; L504-V535 HydrophobicContact CG-CG2 3.93Å
505	P	93.9	Very high	91.1	Very high	8 Å²	8	53.7 Å²	53.7	5%	0.052	34%	0.341	C	S	.	.			trans	-61	145	173.7	-17.6	30.2	0	0	0	112	K430 D431 F493 V499 W507	K430-P505 HydrophobicContact CB-CB 3.9Å; K430-P505 HydrophobicContact CB-CG 4.19Å; K430-P505 WeakPolarHBondContact O-CB 3.5Å; K430-P505 WeakPolarHBondContact O-CG 3.37Å; D431-P505 HydrophobicContact CB-CB 4.03Å; F493-P505 HydrophobicContact CZ-CG 4.15Å; V499-P505 HydrophobicContact CG1-CG 4.46Å; P505-W507 VanDerWaalsContact C-N 3.25Å; P505-W507 HydrophobicContact CG-CZ2 4.16Å; P505-W507 PolarHBondContact O-N 3.12Å
506	A	93.8	Very high	90.8	Very high	52 Å²	52	55 Å²	55	43%	0.43	36%	0.355	S	S	.	.			trans	-79.8	68.2	179.4	0	0	0	0	0	111.3	R421	R421-A506 PolarHBondContact NH2-O 2.83Å
507	W	96.3	Very high	90.6	Very high	32 Å²	32	61.8 Å²	61.8	12%	0.121	39%	0.391	C	S	.	.	P	Polyproline II helix	trans	-55.3	144.1	-175.5	-59.2	-58.6	0	0	0	113.3	P463 F493 L504 P505 V530 L533	P463-W507 HydrophobicContact CB-CB 4.22Å; P463-W507 HydrophobicContact CB-CD2 3.94Å; P463-W507 HydrophobicContact CB-CE3 4.36Å; P463-W507 HydrophobicContact CB-CG 3.86Å; P463-W507 HydrophobicContact CG-CD2 3.88Å; P463-W507 HydrophobicContact CG-CE3 4.16Å; P463-W507 HydrophobicContact CG-CG 4.28Å; P463-W507 HydrophobicContact CG-CZ2 4.24Å; P463-W507 HydrophobicContact CG-CZ3 4.46Å; P463-W507 VanDerWaalsContact O-CD1 3.22Å; F493-W507 HydrophobicContact CB-CZ2 4.47Å; F493-W507 HydrophobicContact CD1-CH2 4.05Å; F493-W507 AromaticContact CD1-CZ2 3.76Å; F493-W507 HydrophobicContact CD1-CZ2 3.76Å; F493-W507 AromaticContact CD2-CZ2 3.59Å; F493-W507 HydrophobicContact CD2-CZ2 3.59Å; F493-W507 HydrophobicContact CE1-CH2 4.35Å; F493-W507 AromaticContact CE1-CZ2 3.82Å; F493-W507 HydrophobicContact CE1-CZ2 3.82Å; F493-W507 AromaticContact CE2-CZ2 3.68Å; F493-W507 HydrophobicContact CE2-CZ2 3.68Å; F493-W507 HydrophobicContact CG-CH2 4.14Å; F493-W507 AromaticContact CG-CZ2 3.64Å; F493-W507 HydrophobicContact CG-CZ2 3.64Å; F493-W507 AromaticContact CZ-CZ2 3.79Å; F493-W507 HydrophobicContact CZ-CZ2 3.79Å; L504-W507 HydrophobicContact CB-CH2 4.11Å; L504-W507 HydrophobicContact CB-CZ3 4.4Å; L504-W507 HydrophobicContact CD1-CH2 4.04Å; L504-W507 HydrophobicContact CD1-CZ3 4.19Å; L504-W507 HydrophobicContact CD2-CH2 4.5Å; L504-W507 HydrophobicContact CG-CH2 4.45Å; P505-W507 VanDerWaalsContact C-N 3.25Å; P505-W507 HydrophobicContact CG-CZ2 4.16Å; P505-W507 PolarHBondContact O-N 3.12Å; W507-V530 HydrophobicContact CE3-CG1 4.23Å; W507-V530 HydrophobicContact CE3-CG2 3.83Å; W507-V530 HydrophobicContact CZ3-CB 4.38Å; W507-V530 HydrophobicContact CZ3-CG1 3.85Å; W507-V530 HydrophobicContact CZ3-CG2 3.83Å; W507-L533 HydrophobicContact CH2-CD1 3.65Å; W507-L533 HydrophobicContact CZ3-CD1 3.94Å
508	I	95.4	Very high	90.7	Very high	16 Å²	16	57 Å²	57	8%	0.082	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-70.1	129.3	178.6	-51.2	-176.1	0	0	0	109.3	P419 R421 L465 D512 L513	P419-I508 HydrophobicContact CB-CD1 3.97Å; P419-I508 HydrophobicContact CG-CD1 4.42Å; R421-I508 HydrophobicContact CG-CD1 3.97Å; R421-I508 HydrophobicContact CG-CG1 4.22Å; L465-I508 HydrophobicContact CD1-CD1 4.22Å; L465-I508 HydrophobicContact CD2-CD1 4.47Å; I508-D512 HydrophobicContact CG2-CB 3.66Å; I508-L513 HydrophobicContact CB-CD2 3.81Å; I508-L513 HydrophobicContact CB-CG 3.95Å; I508-L513 HydrophobicContact CD1-CD2 4.29Å; I508-L513 HydrophobicContact CG2-CD2 3.88Å; I508-L513 HydrophobicContact CG2-CG 3.79Å; I508-L513 WeakPolarHBondContact O-CD1 3.14Å
509	P	94.8	Very high	91.1	Very high	62 Å²	62	53.2 Å²	53.2	40%	0.403	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-59.4	148.5	176.9	-25.6	34.6	0	0	0	113.4	A511 D512 L513	P509-A511 PolarHBondContact O-N 2.99Å; P509-A511 VanDerWaalsContact O-N 3.13Å; P509-D512 WeakPolarHBondContact CD-OD2 3.16Å; P509-D512 PolarHBondContact O-N 3.27Å; P509-L513 WeakPolarHBondContact O-CG 3.29Å; P509-L513 PolarHBondContact O-N 3.37Å
510	P	95.6	Very high	91.6	Very high	55 Å²	55	52.7 Å²	52.7	36%	0.357	36%	0.356	S	S	.	.	H	α-helix	trans	-52	-35.2	176.3	-31.5	37.7	0	0	0	115.2	A514 V520	P510-A514 WeakPolarHBondContact O-CB 3.29Å; P510-A514 PolarHBondContact O-N 3.34Å; P510-V520 HydrophobicContact CB-CG1 3.82Å
511	A	94.6	Very high	92.6	Very high	62 Å²	62	49.5 Å²	49.5	51%	0.512	33%	0.331	S	S	.	.	H	α-helix	trans	-65.6	-42.8	176.7	0	0	0	0	0	112.4	P509 A514 A515	P509-A511 PolarHBondContact O-N 2.99Å; P509-A511 VanDerWaalsContact O-N 3.13Å; A511-A514 PolarHBondContact O-N 3.03Å; A511-A515 PolarHBondContact O-N 3.49Å
512	D	94.7	Very high	93.5	Very high	87 Å²	87	50.8 Å²	50.8	47%	0.465	33%	0.328	S	S	.	.	H	α-helix	trans	-74	-34.3	-179.6	-60.2	-14	0	0	0	111	I508 P509 A515 A516	I508-D512 HydrophobicContact CG2-CB 3.66Å; P509-D512 WeakPolarHBondContact CD-OD2 3.16Å; P509-D512 PolarHBondContact O-N 3.27Å; D512-A515 PolarHBondContact O-N 3.48Å; D512-A516 WeakPolarHBondContact O-CB 3.21Å; D512-A516 PolarHBondContact O-N 3.41Å
513	L	94.6	Very high	94.1	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-61.7	-43.8	170.3	-68.5	167.2	0	0	0	111.6	L465 I468 V488 I508 P509 A516 L518 V520	L465-L513 HydrophobicContact CD1-CD2 4.26Å; I468-L513 HydrophobicContact CD1-CD1 3.58Å; I468-L513 HydrophobicContact CD1-CD2 4.11Å; I468-L513 HydrophobicContact CG1-CD1 4.48Å; I468-L513 HydrophobicContact CG2-CD2 4.37Å; V488-L513 HydrophobicContact CG2-CD1 4.49Å; I508-L513 HydrophobicContact CB-CD2 3.81Å; I508-L513 HydrophobicContact CB-CG 3.95Å; I508-L513 HydrophobicContact CD1-CD2 4.29Å; I508-L513 HydrophobicContact CG2-CD2 3.88Å; I508-L513 HydrophobicContact CG2-CG 3.79Å; I508-L513 WeakPolarHBondContact O-CD1 3.14Å; P509-L513 WeakPolarHBondContact O-CG 3.29Å; P509-L513 PolarHBondContact O-N 3.37Å; L513-A516 CarbonylContact O-C 3.59Å; L513-A516 PolarHBondContact O-N 3.26Å; L513-L518 HydrophobicContact CB-CD1 4.34Å; L513-L518 HydrophobicContact CD2-CD1 3.6Å; L513-L518 WeakPolarHBondContact O-CB 3.42Å; L513-L518 PolarHBondContact O-N 3.37Å; L513-L518 VanDerWaalsContact O-N 3.12Å; L513-V520 HydrophobicContact CB-CB 4.39Å; L513-V520 HydrophobicContact CB-CG2 3.86Å; L513-V520 HydrophobicContact CD1-CG2 4.23Å
514	A	93.3	Very high	94.5	Very high	37 Å²	37	48.1 Å²	48.1	31%	0.306	31%	0.306	S	S	.	.	H	α-helix	trans	-65.3	-39.9	175.4	0	0	0	0	0	112.1	P510 A511 A516 N517 T522	P510-A514 WeakPolarHBondContact O-CB 3.29Å; P510-A514 PolarHBondContact O-N 3.34Å; A511-A514 PolarHBondContact O-N 3.03Å; A514-A516 PolarHBondContact O-N 3.02Å; A514-N517 PolarHBondContact O-N 3.07Å; A514-N517 VanDerWaalsContact O-N 3.07Å; A514-T522 HydrophobicContact CB-CG2 3.81Å
515	A	92.1	Very high	94.7	Very high	81 Å²	81	54.9 Å²	54.9	67%	0.669	33%	0.334	S	S	*	.	H	α-helix	trans	-64.2	-27.4	172.8	0	0	0	0	0	113	A511 D512 N517	A511-A515 PolarHBondContact O-N 3.49Å; D512-A515 PolarHBondContact O-N 3.48Å; A515-N517 PolarHBondContact O-N 3.19Å
516	A	90.1	Very high	94.9	Very high	41 Å²	41	56.8 Å²	56.8	34%	0.339	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	16	171.7	0	0	0	0	0	114.2	P419 D512 L513 A514 L518	P419-A516 HydrophobicContact CB-CB 4.37Å; P419-A516 HydrophobicContact CG-CB 4.44Å; D512-A516 WeakPolarHBondContact O-CB 3.21Å; D512-A516 PolarHBondContact O-N 3.41Å; L513-A516 CarbonylContact O-C 3.59Å; L513-A516 PolarHBondContact O-N 3.26Å; A514-A516 PolarHBondContact O-N 3.02Å; A516-L518 VanDerWaalsContact C-N 3.27Å; A516-L518 PolarHBondContact O-N 3.44Å
517	N	90.6	Very high	95	Very high	143 Å²	143	56.5 Å²	56.5	77%	0.765	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	25.9	-179.2	-57	-59.6	0	0	0	115.2	A514 A515	A514-N517 PolarHBondContact O-N 3.07Å; A514-N517 VanDerWaalsContact O-N 3.07Å; A515-N517 PolarHBondContact O-N 3.19Å
518	L	92.1	Very high	95.1	Very high	23 Å²	23	56.2 Å²	56.2	12%	0.12	34%	0.335	C	S	.	.			trans	-88.9	136.1	167.5	-57.2	168.5	0	0	0	108.5	I468 Q472 L513 A516 V520	I468-L518 HydrophobicContact CG2-CB 4.46Å; I468-L518 HydrophobicContact CG2-CD1 4.02Å; Q472-L518 HydrophobicContact CB-CD2 4.05Å; Q472-L518 HydrophobicContact CG-CD2 3.87Å; L513-L518 HydrophobicContact CB-CD1 4.34Å; L513-L518 HydrophobicContact CD2-CD1 3.6Å; L513-L518 WeakPolarHBondContact O-CB 3.42Å; L513-L518 PolarHBondContact O-N 3.37Å; L513-L518 VanDerWaalsContact O-N 3.12Å; A516-L518 VanDerWaalsContact C-N 3.27Å; A516-L518 PolarHBondContact O-N 3.44Å; L518-V520 HydrophobicContact CB-CG2 4.24Å; L518-V520 PolarHBondContact O-N 3.4Å
519	S	94.3	Very high	95.1	Very high	13 Å²	13	57.4 Å²	57.4	9%	0.091	34%	0.343	C	S	.	.			trans	-75.7	48.5	-173	-71.9	0	0	0	0	113.3	E481 K485 I486	E481-S519 WeakPolarHBondContact O-CB 3.34Å; E481-S519 PolarHBondContact O-OG 2.69Å; K485-S519 CarbonylContact C-O 3.59Å; K485-S519 WeakPolarHBondContact CA-O 3.31Å; K485-S519 WeakPolarHBondContact CD-O 3.39Å; I486-S519 PolarHBondContact N-O 2.96Å
520	V	96.8	Very high	95.2	Very high	8 Å²	8	57.7 Å²	57.7	5%	0.048	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-77.7	143	-178.5	175	0	0	0	0	112	I468 I486 V488 P510 L513 L518 T522	I468-V520 HydrophobicContact CG2-CG2 4.01Å; I486-V520 HydrophobicContact CB-CG2 4.48Å; I486-V520 WeakPolarHBondContact O-CA 3.18Å; V488-V520 HydrophobicContact CG2-CG1 3.81Å; V488-V520 HydrophobicContact CG2-CG2 4.31Å; P510-V520 HydrophobicContact CB-CG1 3.82Å; L513-V520 HydrophobicContact CB-CB 4.39Å; L513-V520 HydrophobicContact CB-CG2 3.86Å; L513-V520 HydrophobicContact CD1-CG2 4.23Å; L518-V520 HydrophobicContact CB-CG2 4.24Å; L518-V520 PolarHBondContact O-N 3.4Å; V520-T522 PolarHBondContact O-N 2.96Å
521	D	97.2	Very high	95.1	Very high	28 Å²	28	60.5 Å²	60.5	15%	0.15	37%	0.365	C	S	.	.			trans	-81.8	104.8	170.3	-171.7	-14.9	0	0	0	109.8	K485 I486 R487 T523 Y524	K485-D521 HydrophobicContact CB-CB 3.78Å; I486-D521 PolarHBondContact O-N 3.24Å; R487-D521 HydrophobicContact CG-CB 4.24Å; R487-D521 IonicContact NE-OD2 3.3Å; D521-T523 PolarHBondContact O-N 2.75Å; D521-T523 WeakPolarHBondContact OD1-CA 3.4Å; D521-T523 WeakPolarHBondContact OD1-CB 3.47Å; D521-T523 PolarHBondContact OD1-N 3.35Å; D521-T523 PolarHBondContact OD1-OG1 3.27Å; D521-Y524 PolarHBondContact OD1-N 3.17Å; D521-Y524 VanDerWaalsContact OD1-N 3.1Å
522	T	96.8	Very high	95.1	Very high	85 Å²	85	62.4 Å²	62.4	52%	0.521	36%	0.362	S	S	.	.	S	Bend	trans	-78.2	-7.1	177.1	57.3	0	0	0	0	113.6	A514 V520	A514-T522 HydrophobicContact CB-CG2 3.81Å; V520-T522 PolarHBondContact O-N 2.96Å
523	T	97.1	Very high	95.1	Very high	113 Å²	113	58.9 Å²	58.9	69%	0.693	34%	0.343	S	S	*	.	S	Bend	trans	-97.2	-17.6	178.3	72.7	0	0	0	0	112.9	D521	D521-T523 PolarHBondContact O-N 2.75Å; D521-T523 WeakPolarHBondContact OD1-CA 3.4Å; D521-T523 WeakPolarHBondContact OD1-CB 3.47Å; D521-T523 PolarHBondContact OD1-N 3.35Å; D521-T523 PolarHBondContact OD1-OG1 3.27Å
524	Y	97.4	Very high	95	Very high	30 Å²	30	62.4 Å²	62.4	12%	0.118	37%	0.365	C	S	.	.			trans	-59.6	135.1	177.9	178.6	-112.8	0	0	0	112	Y460 R487 V488 E489 D521 P526 H527	Y460-Y524 HydrophobicContact CE1-CE1 4.47Å; Y460-Y524 AromaticContact CE1-CE2 3.77Å; Y460-Y524 HydrophobicContact CE1-CE2 3.77Å; Y460-Y524 AromaticContact CE1-CZ 3.66Å; Y460-Y524 WeakPolarHBondContact CE1-OH 3.46Å; R487-Y524 HydrophobicContact CB-CD1 3.81Å; R487-Y524 HydrophobicContact CB-CD2 4.04Å; R487-Y524 HydrophobicContact CB-CE1 4.05Å; R487-Y524 HydrophobicContact CB-CE2 4.31Å; R487-Y524 HydrophobicContact CB-CG 3.81Å; R487-Y524 HydrophobicContact CG-CD1 4.37Å; R487-Y524 HydrophobicContact CG-CD2 3.87Å; R487-Y524 HydrophobicContact CG-CE2 4.44Å; R487-Y524 HydrophobicContact CG-CG 3.85Å; V488-Y524 WeakPolarHBondContact O-CE1 3.25Å; E489-Y524 HydrophobicContact CB-CE1 4.22Å; E489-Y524 PolarHBondContact OE2-OH 3.26Å; E489-Y524 VanDerWaalsContact OE2-OH 3.07Å; D521-Y524 PolarHBondContact OD1-N 3.17Å; D521-Y524 VanDerWaalsContact OD1-N 3.1Å; Y524-P526 HydrophobicContact CE1-CB 4.09Å; Y524-H527 PolarHBondContact OH-CD2 2.9Å; Y524-H527 PolarHBondContact OH-NE2 3.01Å
525	K	96.9	Very high	95	Very high	176 Å²	176	63.3 Å²	63.3	77%	0.765	37%	0.366	S	S	*	.			trans	-110.3	114	174.9	-66.8	-179.7	-177.9	176	0	108.3
526	P	97.6	Very high	94.9	Very high	47 Å²	47	63 Å²	63	31%	0.305	36%	0.359	S	S	.	.			trans	-64.7	139.5	-179.5	26.4	-34.2	0	0	0	111.4	E489 P490 Y524 Y528 P529	E489-P526 WeakPolarHBondContact OE2-CA 3.26Å; P490-P526 VanDerWaalsContact CD-CB 3.5Å; P490-P526 HydrophobicContact CG-CB 4.45Å; Y524-P526 HydrophobicContact CE1-CB 4.09Å; P526-Y528 PolarHBondContact O-N 3.09Å; P526-P529 HydrophobicContact CG-CB 4.3Å
527	H	97.5	Very high	95.1	Very high	47 Å²	47	61.4 Å²	61.4	22%	0.218	34%	0.344	C	S	.	.	S	Bend	trans	-64.9	-34.6	171.7	-44.7	-75.5	0	0	0	110.2	E489 Y524 P529 K532 E552 E556	E489-H527 WeakPolarHBondContact OE2-CB 3.3Å; E489-H527 IonicContact OE2-CD2 3.21Å; E489-H527 PolarHBondContact OE2-CD2 3.37Å; E489-H527 IonicContact OE2-CG 3.64Å; E489-H527 PolarHBondContact OE2-N 3.02Å; Y524-H527 PolarHBondContact OH-CD2 2.9Å; Y524-H527 PolarHBondContact OH-NE2 3.01Å; H527-P529 WeakPolarHBondContact O-CD 3.39Å; H527-K532 PolarHBondContact O-NZ 2.93Å; H527-E552 HydrophobicContact CB-CB 4.34Å; H527-E552 VanDerWaalsContact CB-OE2 3.28Å; H527-E552 WeakPolarHBondContact CB-OE2 3.37Å; H527-E552 IonicContact CG-OE2 3.8Å; H527-E556 IonicContact CE1-OE2 3.45Å; H527-E556 PolarHBondContact CE1-OE2 3.26Å; H527-E556 VanDerWaalsContact CE1-OE2 3.26Å; H527-E556 IonicContact NE2-OE2 2.73Å
528	Y	97.4	Very high	95.3	Very high	26 Å²	26	57.2 Å²	57.2	10%	0.102	33%	0.326	C	S	.	.	S	Bend	trans	-120.5	83.3	178.6	-154.9	-77.4	0	0	0	111.5	E489 P490 G491 P526 K532 L533 R545 V549	E489-Y528 PolarHBondContact OE1-N 3.42Å; E489-Y528 VanDerWaalsContact OE1-O 3.11Å; E489-Y528 PolarHBondContact OE2-N 3.05Å; P490-Y528 WeakPolarHBondContact CB-O 3.5Å; P490-Y528 WeakPolarHBondContact CD-O 3.49Å; G491-Y528 PolarHBondContact N-O 3.14Å; P526-Y528 PolarHBondContact O-N 3.09Å; Y528-K532 HydrophobicContact CD1-CB 3.88Å; Y528-K532 HydrophobicContact CD2-CD 4.29Å; Y528-K532 HydrophobicContact CE1-CB 3.4Å; Y528-K532 HydrophobicContact CE2-CB 4.34Å; Y528-K532 HydrophobicContact CE2-CD 4.3Å; Y528-K532 HydrophobicContact CG-CD 4.43Å; Y528-K532 PolarHBondContact OH-O 2.77Å; Y528-L533 HydrophobicContact CD1-CD2 4.07Å; Y528-L533 HydrophobicContact CD1-CG 4.19Å; Y528-L533 HydrophobicContact CE1-CD2 3.68Å; Y528-L533 HydrophobicContact CE1-CG 3.94Å; Y528-R545 HydrophobicContact CD2-CB 4.16Å; Y528-R545 HydrophobicContact CE2-CB 3.72Å; Y528-V549 HydrophobicContact CD2-CG2 4.25Å; Y528-V549 HydrophobicContact CG-CG2 4.24Å
529	P	96.7	Very high	95.4	Very high	40 Å²	40	56.9 Å²	56.9	26%	0.26	32%	0.324	S	S	.	.			trans	-63.7	155.8	-179.2	26.4	-36.2	0	0	0	112.8	P526 H527 S531 K532	P526-P529 HydrophobicContact CG-CB 4.3Å; H527-P529 WeakPolarHBondContact O-CD 3.39Å; P529-S531 PolarHBondContact O-N 3.41Å; P529-K532 HydrophobicContact CG-CD 4.23Å; P529-K532 HydrophobicContact CG-CG 4.17Å; P529-K532 PolarHBondContact O-N 3.44Å
530	V	94.9	Very high	95.5	Very high	69 Å²	69	61.3 Å²	61.3	42%	0.418	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-47.6	-38.3	178.8	169.3	0	0	0	0	113	P490 W507 K532 L533	P490-V530 HydrophobicContact CB-CG2 3.86Å; P490-V530 HydrophobicContact CG-CG2 3.6Å; W507-V530 HydrophobicContact CE3-CG1 4.23Å; W507-V530 HydrophobicContact CE3-CG2 3.83Å; W507-V530 HydrophobicContact CZ3-CB 4.38Å; W507-V530 HydrophobicContact CZ3-CG1 3.85Å; W507-V530 HydrophobicContact CZ3-CG2 3.83Å; V530-K532 PolarHBondContact O-N 2.84Å; V530-K532 VanDerWaalsContact O-N 3.16Å; V530-L533 WeakPolarHBondContact O-CB 3.36Å; V530-L533 PolarHBondContact O-N 2.68Å
531	S	94.3	Very high	95.5	Very high	113 Å²	113	63.6 Å²	63.6	79%	0.79	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-64.9	-13.8	179.9	53.3	0	0	0	0	115.2	P529	P529-S531 PolarHBondContact O-N 3.41Å
532	K	95.7	Very high	95.5	Very high	102 Å²	102	62.3 Å²	62.3	44%	0.443	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-90.3	-18.6	171.8	-67.4	-177.4	-171.5	169.3	0	113.2	H527 Y528 P529 V530 T534	H527-K532 PolarHBondContact O-NZ 2.93Å; Y528-K532 HydrophobicContact CD1-CB 3.88Å; Y528-K532 HydrophobicContact CD2-CD 4.29Å; Y528-K532 HydrophobicContact CE1-CB 3.4Å; Y528-K532 HydrophobicContact CE2-CB 4.34Å; Y528-K532 HydrophobicContact CE2-CD 4.3Å; Y528-K532 HydrophobicContact CG-CD 4.43Å; Y528-K532 PolarHBondContact OH-O 2.77Å; P529-K532 HydrophobicContact CG-CD 4.23Å; P529-K532 HydrophobicContact CG-CG 4.17Å; P529-K532 PolarHBondContact O-N 3.44Å; V530-K532 PolarHBondContact O-N 2.84Å; V530-K532 VanDerWaalsContact O-N 3.16Å; K532-T534 PolarHBondContact O-N 2.71Å
533	L	94.4	Very high	95.5	Very high	13 Å²	13	58.7 Å²	58.7	7%	0.068	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-72.3	124.4	178.2	-70.1	171.3	0	0	0	109.7	P490 F493 L504 W507 Y528 V530	P490-L533 HydrophobicContact CB-CD1 3.79Å; F493-L533 HydrophobicContact CB-CD1 4.32Å; L504-L533 HydrophobicContact CD1-CB 3.67Å; W507-L533 HydrophobicContact CH2-CD1 3.65Å; W507-L533 HydrophobicContact CZ3-CD1 3.94Å; Y528-L533 HydrophobicContact CD1-CD2 4.07Å; Y528-L533 HydrophobicContact CD1-CG 4.19Å; Y528-L533 HydrophobicContact CE1-CD2 3.68Å; Y528-L533 HydrophobicContact CE1-CG 3.94Å; V530-L533 WeakPolarHBondContact O-CB 3.36Å; V530-L533 PolarHBondContact O-N 2.68Å
534	T	92.4	Very high	95.5	Very high	76 Å²	76	56.4 Å²	56.4	47%	0.466	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-95.7	147.3	174.5	54.4	0	0	0	0	110.4	T496 K532 E537	T496-T534 VanDerWaalsContact CB-O 3.26Å; T496-T534 WeakPolarHBondContact CB-O 3.21Å; T496-T534 WeakPolarHBondContact CG2-O 3.48Å; T496-T534 PolarHBondContact OG1-O 3.33Å; K532-T534 PolarHBondContact O-N 2.71Å; T534-E537 WeakPolarHBondContact OG1-CB 3.18Å
535	V	92.4	Very high	95.5	Very high	56 Å²	56	55.2 Å²	55.2	34%	0.339	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	134.2	172.6	178.7	0	0	0	0	108.7	L504	L504-V535 HydrophobicContact CD2-CG2 4.07Å; L504-V535 HydrophobicContact CG-CG2 3.93Å
536	S	90.3	Very high	95.6	Very high	75 Å²	75	47 Å²	47	52%	0.524	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.7	48.5	-178.2	-175.5	0	0	0	0	114.4	T496	T496-S536 PolarHBondContact O-N 3.27Å; T496-S536 PolarHBondContact OG1-N 3.07Å
537	E	94.3	Very high	95.6	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.028	28%	0.276	C	S	.	.			trans	-58.9	159.9	174.9	76.5	-166.3	142	0	0	112.7	W495 T496 T534 T541 R545	W495-E537 PolarHBondContact NE1-O 2.86Å; T496-E537 WeakPolarHBondContact CG2-OE1 3.43Å; T496-E537 PolarHBondContact N-OE1 3.34Å; T496-E537 WeakPolarHBondContact OG1-CB 3.16Å; T496-E537 VanDerWaalsContact OG1-CG 3.29Å; T496-E537 WeakPolarHBondContact OG1-CG 3.41Å; T496-E537 PolarHBondContact OG1-N 3.23Å; T496-E537 PolarHBondContact OG1-OE1 3.37Å; T534-E537 WeakPolarHBondContact OG1-CB 3.18Å; E537-T541 HydrophobicContact CB-CG2 4.19Å; E537-R545 IonicContact OE1-CZ 2.69Å; E537-R545 IonicContact OE1-NE 3.38Å; E537-R545 PolarHBondContact OE1-NE 2.94Å; E537-R545 IonicContact OE1-NH2 2.74Å; E537-R545 PolarHBondContact OE1-NH2 3.33Å; E537-R545 IonicContact OE2-CZ 3.95Å; E537-R545 IonicContact OE2-NE 2.79Å; E537-R545 PolarHBondContact OE2-NE 3.19Å; E537-R545 IonicContact OE2-NH2 2.73Å
538	S	95.6	Very high	95.6	Very high	55 Å²	55	48.2 Å²	48.2	39%	0.385	28%	0.281	S	S	.	.			trans	-72.6	157.9	173.3	83.9	0	0	0	0	111.5	D540 T541 Y542	S538-D540 VanDerWaalsContact C-N 3.26Å; S538-D540 PolarHBondContact O-N 3.45Å; S538-D540 PolarHBondContact OG-N 2.86Å; S538-T541 WeakPolarHBondContact O-CB 3.41Å; S538-T541 PolarHBondContact O-N 3.19Å; S538-T541 PolarHBondContact OG-N 3.48Å; S538-T541 VanDerWaalsContact OG-N 3.13Å; S538-T541 PolarHBondContact OG-OG1 2.68Å; S538-Y542 PolarHBondContact O-N 3.22Å
539	Y	93.7	Very high	95.7	Very high	17 Å²	17	47 Å²	47	7%	0.067	28%	0.276	C	S	.	.	H	α-helix	trans	-56.1	-43.4	174.9	169.4	-106.4	0	0	0	111.7	T541 Y542 I543 Q586 F591	Y539-T541 VanDerWaalsContact C-N 3.33Å; Y539-T541 PolarHBondContact O-N 3.08Å; Y539-Y542 WeakPolarHBondContact O-CB 3.16Å; Y539-Y542 PolarHBondContact O-N 3.29Å; Y539-I543 HydrophobicContact CD2-CG1 4.03Å; Y539-I543 HydrophobicContact CE1-CG1 4.11Å; Y539-I543 HydrophobicContact CE2-CD1 3.84Å; Y539-I543 HydrophobicContact CE2-CG1 3.52Å; Y539-I543 WeakPolarHBondContact O-CG1 3.37Å; Y539-I543 PolarHBondContact O-N 2.77Å; Y539-Q586 WeakPolarHBondContact CE1-O 3.37Å; Y539-Q586 VanDerWaalsContact CZ-O 3.27Å; Y539-Q586 PolarHBondContact OH-O 3.24Å; Y539-F591 HydrophobicContact CD2-CD1 4.32Å; Y539-F591 HydrophobicContact CE2-CB 3.85Å; Y539-F591 AromaticContact CE2-CD1 3.69Å; Y539-F591 HydrophobicContact CE2-CD1 3.69Å; Y539-F591 HydrophobicContact CE2-CD2 4.15Å; Y539-F591 HydrophobicContact CE2-CE1 4.29Å; Y539-F591 AromaticContact CE2-CG 3.61Å; Y539-F591 HydrophobicContact CE2-CG 3.61Å
540	D	95.1	Very high	95.7	Very high	105 Å²	105	45.1 Å²	45.1	56%	0.561	26%	0.263	S	S	*	.	H	α-helix	trans	-66.5	-34.7	179.7	-47.1	-75.2	0	0	0	112	S538 S544	S538-D540 VanDerWaalsContact C-N 3.26Å; S538-D540 PolarHBondContact O-N 3.45Å; S538-D540 PolarHBondContact OG-N 2.86Å; D540-S544 WeakPolarHBondContact O-CB 3.33Å; D540-S544 PolarHBondContact O-N 3.2Å; D540-S544 PolarHBondContact O-OG 2.84Å
541	T	97	Very high	95.8	Very high	57 Å²	57	46.9 Å²	46.9	35%	0.35	26%	0.262	S	S	.	.	H	α-helix	trans	-63.6	-48.2	171.8	-56.8	0	0	0	0	111.1	E537 S538 Y539 I543 S544 R545	E537-T541 HydrophobicContact CB-CG2 4.19Å; S538-T541 WeakPolarHBondContact O-CB 3.41Å; S538-T541 PolarHBondContact O-N 3.19Å; S538-T541 PolarHBondContact OG-N 3.48Å; S538-T541 VanDerWaalsContact OG-N 3.13Å; S538-T541 PolarHBondContact OG-OG1 2.68Å; Y539-T541 VanDerWaalsContact C-N 3.33Å; Y539-T541 PolarHBondContact O-N 3.08Å; T541-I543 PolarHBondContact O-N 3.12Å; T541-S544 PolarHBondContact O-N 2.87Å; T541-R545 WeakPolarHBondContact O-CG 3.36Å; T541-R545 PolarHBondContact O-N 3.04Å
542	Y	97.8	Very high	95.9	Very high	1 Å²	1	44 Å²	44	0%	0.004	24%	0.237	C	C	.	.	H	α-helix	trans	-57.3	-49.5	178.5	168.5	-109.7	0	0	0	112.4	W495 S538 Y539 R545 S546 S571 A575 F591	W495-Y542 HydrophobicContact CB-CD1 3.95Å; W495-Y542 HydrophobicContact CB-CD2 3.9Å; W495-Y542 HydrophobicContact CB-CE1 4.32Å; W495-Y542 HydrophobicContact CB-CE2 4.3Å; W495-Y542 HydrophobicContact CB-CG 3.73Å; W495-Y542 HydrophobicContact CG-CD1 4.25Å; W495-Y542 AromaticContact CG-CG 3.97Å; W495-Y542 HydrophobicContact CG-CG 3.97Å; S538-Y542 PolarHBondContact O-N 3.22Å; Y539-Y542 WeakPolarHBondContact O-CB 3.16Å; Y539-Y542 PolarHBondContact O-N 3.29Å; Y542-R545 VanDerWaalsContact O-CG 3.3Å; Y542-R545 WeakPolarHBondContact O-CG 3.4Å; Y542-S546 WeakPolarHBondContact CE2-OG 3.33Å; Y542-S546 WeakPolarHBondContact O-CB 3.48Å; Y542-S546 PolarHBondContact O-N 3.41Å; Y542-S546 VanDerWaalsContact O-N 3.08Å; Y542-S546 PolarHBondContact O-OG 3.35Å; Y542-S571 VanDerWaalsContact OH-CB 3.23Å; Y542-S571 WeakPolarHBondContact OH-CB 3.34Å; Y542-S571 PolarHBondContact OH-O 3.23Å; Y542-S571 PolarHBondContact OH-OG 2.92Å; Y542-A575 HydrophobicContact CE1-CB 3.7Å; Y542-A575 WeakPolarHBondContact OH-CB 3.42Å; Y542-F591 HydrophobicContact CD1-CE1 4.47Å; Y542-F591 HydrophobicContact CD1-CZ 4.49Å; Y542-F591 AromaticContact CE1-CE1 3.94Å; Y542-F591 HydrophobicContact CE1-CE1 3.94Å; Y542-F591 AromaticContact CE1-CZ 3.68Å; Y542-F591 HydrophobicContact CE1-CZ 3.68Å
543	I	97.4	Very high	96	Very high	8 Å²	8	39.1 Å²	39.1	4%	0.041	22%	0.216	C	C	.	.	H	α-helix	trans	-65	-46.4	178.8	-66.9	-62.8	0	0	0	110.7	Y539 T541 R545 S546 F547 A575 P585 F591	Y539-I543 HydrophobicContact CD2-CG1 4.03Å; Y539-I543 HydrophobicContact CE1-CG1 4.11Å; Y539-I543 HydrophobicContact CE2-CD1 3.84Å; Y539-I543 HydrophobicContact CE2-CG1 3.52Å; Y539-I543 WeakPolarHBondContact O-CG1 3.37Å; Y539-I543 PolarHBondContact O-N 2.77Å; T541-I543 PolarHBondContact O-N 3.12Å; I543-R545 PolarHBondContact O-N 3.01Å; I543-S546 PolarHBondContact O-N 3.29Å; I543-F547 PolarHBondContact O-N 3.37Å; I543-A575 HydrophobicContact CD1-CB 3.79Å; I543-P585 HydrophobicContact CG2-CB 4.03Å; I543-P585 HydrophobicContact CG2-CG 3.71Å; I543-F591 HydrophobicContact CD1-CD2 4.39Å; I543-F591 HydrophobicContact CD1-CE2 3.94Å; I543-F591 HydrophobicContact CD1-CZ 4.2Å
544	S	96.9	Very high	95.9	Very high	66 Å²	66	39.1 Å²	39.1	46%	0.462	22%	0.215	S	C	.	.	H	α-helix	trans	-61.1	-42.7	-179.6	-60.7	0	0	0	0	112.9	D540 T541 Q548	D540-S544 WeakPolarHBondContact O-CB 3.33Å; D540-S544 PolarHBondContact O-N 3.2Å; D540-S544 PolarHBondContact O-OG 2.84Å; T541-S544 PolarHBondContact O-N 2.87Å; S544-Q548 WeakPolarHBondContact O-CB 3.36Å; S544-Q548 PolarHBondContact O-N 3.08Å
545	R	97.5	Very high	96	Very high	5 Å²	5	40.2 Å²	40.2	2%	0.019	22%	0.222	C	C	.	.	H	α-helix	trans	-68.4	-37.6	176.2	71.6	171.7	171.6	82.9	-9.6	112.1	G491 F493 E494 Y528 E537 T541 Y542 I543 F547 Q548 V549	G491-R545 PolarHBondContact O-NH1 3.15Å; F493-R545 PolarHBondContact O-NH1 2.87Å; F493-R545 PolarHBondContact O-NH2 3.45Å; E494-R545 PolarHBondContact O-NH2 3.47Å; Y528-R545 HydrophobicContact CD2-CB 4.16Å; Y528-R545 HydrophobicContact CE2-CB 3.72Å; E537-R545 IonicContact OE1-CZ 2.69Å; E537-R545 IonicContact OE1-NE 3.38Å; E537-R545 PolarHBondContact OE1-NE 2.94Å; E537-R545 IonicContact OE1-NH2 2.74Å; E537-R545 PolarHBondContact OE1-NH2 3.33Å; E537-R545 IonicContact OE2-CZ 3.95Å; E537-R545 IonicContact OE2-NE 2.79Å; E537-R545 PolarHBondContact OE2-NE 3.19Å; E537-R545 IonicContact OE2-NH2 2.73Å; T541-R545 WeakPolarHBondContact O-CG 3.36Å; T541-R545 PolarHBondContact O-N 3.04Å; Y542-R545 VanDerWaalsContact O-CG 3.3Å; Y542-R545 WeakPolarHBondContact O-CG 3.4Å; I543-R545 PolarHBondContact O-N 3.01Å; R545-F547 PolarHBondContact O-N 3.14Å; R545-Q548 PolarHBondContact O-N 3.37Å; R545-V549 VanDerWaalsContact O-CB 3.3Å; R545-V549 WeakPolarHBondContact O-CB 3.4Å; R545-V549 WeakPolarHBondContact O-CG2 3.42Å; R545-V549 PolarHBondContact O-N 3.02Å
546	S	98.3	Very high	96	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.014	22%	0.22	C	C	.	.	H	α-helix	trans	-63.1	-43.5	178.5	-58.9	0	0	0	0	111.3	Y542 I543 T550 A575	Y542-S546 WeakPolarHBondContact CE2-OG 3.33Å; Y542-S546 WeakPolarHBondContact O-CB 3.48Å; Y542-S546 PolarHBondContact O-N 3.41Å; Y542-S546 VanDerWaalsContact O-N 3.08Å; Y542-S546 PolarHBondContact O-OG 3.35Å; I543-S546 PolarHBondContact O-N 3.29Å; S546-T550 WeakPolarHBondContact O-CB 3.38Å; S546-T550 PolarHBondContact O-N 2.83Å; S546-T550 PolarHBondContact O-OG1 3.45Å; S546-A575 WeakPolarHBondContact CB-O 3.5Å
547	F	97.9	Very high	96	Very high	53 Å²	53	37 Å²	37	23%	0.232	20%	0.195	C	C	.	.	H	α-helix	trans	-65.7	-46.1	173.7	171.2	-126.8	0	0	0	112.7	I543 R545 R551 Q579 I580	I543-F547 PolarHBondContact O-N 3.37Å; R545-F547 PolarHBondContact O-N 3.14Å; F547-R551 WeakPolarHBondContact O-CB 3.5Å; F547-R551 PolarHBondContact O-N 3.21Å; F547-Q579 HydrophobicContact CB-CB 4Å; F547-Q579 HydrophobicContact CB-CG 4.49Å; F547-Q579 HydrophobicContact CD1-CB 4.08Å; F547-Q579 HydrophobicContact CD2-CB 3.47Å; F547-Q579 VanDerWaalsContact CD2-CB 3.47Å; F547-Q579 HydrophobicContact CE1-CB 4.43Å; F547-Q579 HydrophobicContact CE2-CB 3.86Å; F547-Q579 HydrophobicContact CG-CB 3.58Å; F547-Q579 HydrophobicContact CG-CG 4.41Å; F547-Q579 HydrophobicContact CZ-CB 4.32Å; F547-I580 HydrophobicContact CD2-CG1 3.71Å; F547-I580 HydrophobicContact CE2-CG1 3.86Å
548	Q	97.9	Very high	95.5	Very high	68 Å²	68	42.1 Å²	42.1	32%	0.318	22%	0.217	S	C	.	.	H	α-helix	trans	-56.1	-54.2	177.4	172.6	177.1	-4.8	0	0	111.3	S544 R545 T550 R551 E552	S544-Q548 WeakPolarHBondContact O-CB 3.36Å; S544-Q548 PolarHBondContact O-N 3.08Å; R545-Q548 PolarHBondContact O-N 3.37Å; Q548-T550 PolarHBondContact O-N 2.87Å; Q548-R551 PolarHBondContact O-N 3.01Å; Q548-E552 VanDerWaalsContact CG-CD 3.47Å; Q548-E552 HydrophobicContact CG-CG 4.42Å; Q548-E552 VanDerWaalsContact CG-OE1 3.24Å; Q548-E552 WeakPolarHBondContact CG-OE1 3.24Å; Q548-E552 PolarHBondContact NE2-OE1 3.1Å; Q548-E552 WeakPolarHBondContact O-CG 3.23Å; Q548-E552 PolarHBondContact O-N 3.41Å
549	V	98.3	Very high	94.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62	-45.4	-176.3	167.9	0	0	0	0	111	E489 L492 Y528 R545 R551 E552 I553	E489-V549 HydrophobicContact CG-CG1 3.47Å; E489-V549 VanDerWaalsContact CG-CG1 3.47Å; L492-V549 HydrophobicContact CD2-CG1 3.96Å; L492-V549 HydrophobicContact CG-CG1 4.13Å; Y528-V549 HydrophobicContact CD2-CG2 4.25Å; Y528-V549 HydrophobicContact CG-CG2 4.24Å; R545-V549 VanDerWaalsContact O-CB 3.3Å; R545-V549 WeakPolarHBondContact O-CB 3.4Å; R545-V549 WeakPolarHBondContact O-CG2 3.42Å; R545-V549 PolarHBondContact O-N 3.02Å; V549-R551 VanDerWaalsContact C-N 3.32Å; V549-R551 PolarHBondContact O-N 2.9Å; V549-E552 PolarHBondContact O-N 3.2Å; V549-I553 HydrophobicContact CG1-CD1 3.8Å; V549-I553 HydrophobicContact CG1-CG1 4.42Å; V549-I553 WeakPolarHBondContact O-CB 3.47Å; V549-I553 VanDerWaalsContact O-CG1 3.27Å; V549-I553 WeakPolarHBondContact O-CG1 3.45Å; V549-I553 PolarHBondContact O-N 2.84Å
550	T	97.9	Very high	94	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.4	-37.5	-179.8	-49.1	0	0	0	0	111.2	L379 S546 Q548 L554 I566 C576 I580	L379-T550 HydrophobicContact CD1-CG2 4.48Å; L379-T550 HydrophobicContact CD2-CG2 3.63Å; S546-T550 WeakPolarHBondContact O-CB 3.38Å; S546-T550 PolarHBondContact O-N 2.83Å; S546-T550 PolarHBondContact O-OG1 3.45Å; Q548-T550 PolarHBondContact O-N 2.87Å; T550-L554 HydrophobicContact CG2-CD1 4.33Å; T550-L554 WeakPolarHBondContact O-CB 3.44Å; T550-L554 VanDerWaalsContact O-CG 3.25Å; T550-L554 WeakPolarHBondContact O-CG 3.5Å; T550-L554 PolarHBondContact O-N 2.73Å; T550-I566 HydrophobicContact CG2-CD1 3.96Å; T550-C576 HydrophobicContact CG2-CB 4.02Å; T550-C576 VanDerWaalsContact OG1-CB 3.31Å; T550-C576 WeakPolarHBondContact OG1-CB 3.38Å; T550-C576 PolarHBondContact OG1-SG 3.13Å; T550-I580 HydrophobicContact CG2-CD1 3.4Å; T550-I580 VanDerWaalsContact CG2-CD1 3.4Å
551	R	96.1	Very high	93.4	Very high	106 Å²	106	45 Å²	45	40%	0.4	24%	0.241	S	C	.	.	H	α-helix	trans	-65.8	-40.7	173	-174.9	-174	66.3	-126	-4.3	112.6	F547 Q548 V549 L554 T555	F547-R551 WeakPolarHBondContact O-CB 3.5Å; F547-R551 PolarHBondContact O-N 3.21Å; Q548-R551 PolarHBondContact O-N 3.01Å; V549-R551 VanDerWaalsContact C-N 3.32Å; V549-R551 PolarHBondContact O-N 2.9Å; R551-L554 PolarHBondContact O-N 3.07Å; R551-T555 WeakPolarHBondContact O-CB 3.28Å; R551-T555 PolarHBondContact O-N 3.18Å; R551-T555 PolarHBondContact O-OG1 2.98Å
552	E	97.1	Very high	93	Very high	53 Å²	53	44.2 Å²	44.2	25%	0.248	24%	0.236	C	C	.	.	H	α-helix	trans	-64.8	-45.9	177.3	-74.1	165	172.7	0	0	111.4	H527 Q548 V549 L554 T555 E556	H527-E552 HydrophobicContact CB-CB 4.34Å; H527-E552 VanDerWaalsContact CB-OE2 3.28Å; H527-E552 WeakPolarHBondContact CB-OE2 3.37Å; H527-E552 IonicContact CG-OE2 3.8Å; Q548-E552 VanDerWaalsContact CG-CD 3.47Å; Q548-E552 HydrophobicContact CG-CG 4.42Å; Q548-E552 VanDerWaalsContact CG-OE1 3.24Å; Q548-E552 WeakPolarHBondContact CG-OE1 3.24Å; Q548-E552 PolarHBondContact NE2-OE1 3.1Å; Q548-E552 WeakPolarHBondContact O-CG 3.23Å; Q548-E552 PolarHBondContact O-N 3.41Å; V549-E552 PolarHBondContact O-N 3.2Å; E552-L554 PolarHBondContact O-N 3.08Å; E552-T555 PolarHBondContact O-N 3.41Å; E552-E556 PolarHBondContact O-N 2.67Å
553	I	96.7	Very high	92.8	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-54.3	-52.7	172.1	-72	170.2	0	0	0	111.1	Y460 E489 L492 V549 T555 E556 C557 V564 I566	Y460-I553 HydrophobicContact CD1-CD1 3.66Å; Y460-I553 HydrophobicContact CD1-CG1 3.85Å; Y460-I553 HydrophobicContact CD1-CG2 4.46Å; Y460-I553 HydrophobicContact CD2-CG2 3.79Å; Y460-I553 HydrophobicContact CE1-CB 4.44Å; Y460-I553 HydrophobicContact CE1-CD1 4Å; Y460-I553 HydrophobicContact CE1-CG1 3.62Å; Y460-I553 HydrophobicContact CE1-CG2 4.2Å; Y460-I553 HydrophobicContact CE2-CG1 4.49Å; Y460-I553 HydrophobicContact CE2-CG2 3.51Å; Y460-I553 HydrophobicContact CG-CD1 3.95Å; Y460-I553 HydrophobicContact CG-CG1 4.36Å; Y460-I553 HydrophobicContact CG-CG2 4.25Å; E489-I553 HydrophobicContact CG-CD1 4.43Å; L492-I553 HydrophobicContact CD1-CD1 4.18Å; L492-I553 HydrophobicContact CD2-CD1 4.47Å; V549-I553 HydrophobicContact CG1-CD1 3.8Å; V549-I553 HydrophobicContact CG1-CG1 4.42Å; V549-I553 WeakPolarHBondContact O-CB 3.47Å; V549-I553 VanDerWaalsContact O-CG1 3.27Å; V549-I553 WeakPolarHBondContact O-CG1 3.45Å; V549-I553 PolarHBondContact O-N 2.84Å; I553-T555 VanDerWaalsContact C-N 3.29Å; I553-T555 PolarHBondContact O-N 2.65Å; I553-E556 PolarHBondContact O-N 3.45Å; I553-C557 WeakPolarHBondContact O-CB 3.43Å; I553-C557 PolarHBondContact O-N 3.45Å; I553-C557 PolarHBondContact O-SG 2.89Å; I553-V564 HydrophobicContact CG2-CG1 3.78Å; I553-I566 HydrophobicContact CD1-CD1 4.44Å
554	L	94.3	Very high	92.8	Very high	12 Å²	12	43.8 Å²	43.8	6%	0.063	23%	0.234	C	C	.	.	H	α-helix	trans	-63.5	-36.1	-178.8	-72	171.9	0	0	0	112.3	M377 L379 T550 R551 E552 C557 K558 V564 I580 W615	M377-L554 HydrophobicContact CE-CD2 4.38Å; L379-L554 HydrophobicContact CB-CD2 4.34Å; L379-L554 HydrophobicContact CD1-CD2 4.46Å; L379-L554 HydrophobicContact CD2-CD1 4.37Å; T550-L554 HydrophobicContact CG2-CD1 4.33Å; T550-L554 WeakPolarHBondContact O-CB 3.44Å; T550-L554 VanDerWaalsContact O-CG 3.25Å; T550-L554 WeakPolarHBondContact O-CG 3.5Å; T550-L554 PolarHBondContact O-N 2.73Å; R551-L554 PolarHBondContact O-N 3.07Å; E552-L554 PolarHBondContact O-N 3.08Å; L554-C557 PolarHBondContact O-N 3.22Å; L554-K558 WeakPolarHBondContact O-CB 3.48Å; L554-K558 PolarHBondContact O-N 3.48Å; L554-V564 HydrophobicContact CD2-CB 4.49Å; L554-V564 HydrophobicContact CD2-CG2 4.17Å; L554-I580 HydrophobicContact CD1-CD1 3.76Å; L554-I580 HydrophobicContact CD1-CG2 4.49Å; L554-W615 HydrophobicContact CD1-CH2 3.77Å; L554-W615 HydrophobicContact CD1-CZ2 3.68Å; L554-W615 HydrophobicContact CD1-CZ3 4.36Å; L554-W615 HydrophobicContact CD2-CH2 3.6Å; L554-W615 HydrophobicContact CD2-CZ2 4.08Å; L554-W615 HydrophobicContact CD2-CZ3 4.45Å; L554-W615 HydrophobicContact CG-CH2 4.27Å; L554-W615 HydrophobicContact CG-CZ2 4.36Å
555	T	92.6	Very high	92.9	Very high	99 Å²	99	40.7 Å²	40.7	61%	0.607	21%	0.212	S	C	*	.	H	α-helix	trans	-67.7	-40.2	177.2	-55.3	0	0	0	0	111.6	R551 E552 I553	R551-T555 WeakPolarHBondContact O-CB 3.28Å; R551-T555 PolarHBondContact O-N 3.18Å; R551-T555 PolarHBondContact O-OG1 2.98Å; E552-T555 PolarHBondContact O-N 3.41Å; I553-T555 VanDerWaalsContact C-N 3.29Å; I553-T555 PolarHBondContact O-N 2.65Å
556	E	92.4	Very high	93	Very high	63 Å²	63	40.4 Å²	40.4	29%	0.294	21%	0.211	S	C	.	.	H	α-helix	trans	-63.5	-42.7	173.5	-166.9	-161.7	134.4	0	0	111.5	Y460 R487 H527 E552 I553	Y460-E556 PolarHBondContact OH-OE2 2.86Å; R487-E556 IonicContact CZ-OE1 3.54Å; R487-E556 IonicContact NH1-OE1 3.75Å; R487-E556 PolarHBondContact NH1-OE1 2.87Å; R487-E556 IonicContact NH2-OE1 2.78Å; H527-E556 IonicContact CE1-OE2 3.45Å; H527-E556 PolarHBondContact CE1-OE2 3.26Å; H527-E556 VanDerWaalsContact CE1-OE2 3.26Å; H527-E556 IonicContact NE2-OE2 2.73Å; E552-E556 PolarHBondContact O-N 2.67Å; I553-E556 PolarHBondContact O-N 3.45Å
557	C	91.4	Very high	93	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-76	-25.4	-174.7	-62.9	0	0	0	0	113.9	M377 F458 I553 L554 S559 L560 G561 V564	M377-C557 HydrophobicContact CE-CB 4.02Å; F458-C557 HydrophobicContact CD2-CB 3.72Å; F458-C557 WeakPolarHBondContact CD2-SG 3.29Å; F458-C557 HydrophobicContact CE2-CB 3.79Å; I553-C557 WeakPolarHBondContact O-CB 3.43Å; I553-C557 PolarHBondContact O-N 3.45Å; I553-C557 PolarHBondContact O-SG 2.89Å; L554-C557 PolarHBondContact O-N 3.22Å; C557-S559 PolarHBondContact O-N 3.16Å; C557-L560 PolarHBondContact O-N 3.21Å; C557-G561 PolarHBondContact O-N 2.91Å; C557-V564 HydrophobicContact CB-CG2 3.73Å
558	K	84.4	Confident	93	Very high	114 Å²	114	37.8 Å²	37.8	50%	0.496	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-18.9	-168	-172.4	157.5	-177.5	153.8	0	116	M377 L554 E608	M377-K558 HydrophobicContact CE-CB 4.44Å; M377-K558 HydrophobicContact CG-CG 4.33Å; M377-K558 HydrophobicContact SD-CB 4.4Å; M377-K558 HydrophobicContact SD-CG 4.39Å; L554-K558 WeakPolarHBondContact O-CB 3.48Å; L554-K558 PolarHBondContact O-N 3.48Å; K558-E608 IonicContact NZ-OE1 2.68Å; K558-E608 PolarHBondContact NZ-OE1 2.73Å; K558-E608 IonicContact NZ-OE2 3.76Å; K558-E608 PolarHBondContact NZ-OE2 2.87Å
559	S	75.8	Confident	93	Very high	105 Å²	105	34.7 Å²	34.7	73%	0.734	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.9	-5.6	176	57.7	0	0	0	0	114.4	C557	C557-S559 PolarHBondContact O-N 3.16Å
560	L	81.2	Confident	92.8	Very high	117 Å²	117	35 Å²	35	61%	0.613	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-21.2	-169	-61.1	176.4	0	0	0	113.6	F458 C557	F458-L560 HydrophobicContact CE1-CB 4.47Å; F458-L560 HydrophobicContact CE2-CB 4.27Å; F458-L560 HydrophobicContact CZ-CB 3.57Å; C557-L560 PolarHBondContact O-N 3.21Å
561	G	82.9	Confident	92.7	Very high	17 Å²	17	35 Å²	35	18%	0.175	19%	0.188	C	C	.	.			trans	-169.7	-175.8	177.3	0	0	0	0	0	111	M377 C557	M377-G561 VanDerWaalsContact SD-O 3.34Å; C557-G561 PolarHBondContact O-N 2.91Å
562	T	87.2	Confident	92.8	Very high	40 Å²	40	30 Å²	30	25%	0.245	17%	0.169	C	C	.	.	S	Bend	trans	-113.8	-27.7	-175.2	61.9	0	0	0	0	113.4	M377 R378 D457	M377-T562 CarbonylContact C-O 3.42Å; M377-T562 WeakPolarHBondContact CA-O 3.41Å; R378-T562 PolarHBondContact N-O 3.35Å; D457-T562 PolarHBondContact OD2-N 2.91Å; D457-T562 PolarHBondContact OD2-OG1 2.79Å
563	T	94.7	Very high	92.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	118.1	-166.3	-54	0	0	0	0	112.3	R378 F380 T455 I456 D457 F458	R378-T563 HydrophobicContact CB-CG2 3.97Å; R378-T563 WeakPolarHBondContact O-CA 3.39Å; F380-T563 HydrophobicContact CD2-CG2 3.78Å; F380-T563 HydrophobicContact CE2-CG2 3.33Å; F380-T563 HydrophobicContact CZ-CG2 4.09Å; T455-T563 WeakPolarHBondContact O-CB 3.18Å; T455-T563 WeakPolarHBondContact O-CG2 3.44Å; T455-T563 PolarHBondContact O-OG1 3Å; I456-T563 HydrophobicContact CD1-CG2 3.88Å; D457-T563 WeakPolarHBondContact CB-O 3.42Å; D457-T563 PolarHBondContact N-O 3.28Å; D457-T563 PolarHBondContact OD2-N 2.84Å; F458-T563 PolarHBondContact N-O 3.11Å
564	V	97.7	Very high	92.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.9	179.5	-178.1	0	0	0	0	109.9	M377 R378 L379 F380 F458 Y460 I553 L554 C557 I566	M377-V564 HydrophobicContact CE-CG2 4.48Å; R378-V564 PolarHBondContact O-N 3.08Å; L379-V564 HydrophobicContact CD1-CB 4.23Å; L379-V564 HydrophobicContact CD1-CG1 4.19Å; F380-V564 PolarHBondContact N-O 2.98Å; F458-V564 HydrophobicContact CB-CG2 4.42Å; F458-V564 HydrophobicContact CD2-CG2 4.2Å; Y460-V564 HydrophobicContact CD2-CG1 3.93Å; Y460-V564 HydrophobicContact CE2-CG1 4.28Å; I553-V564 HydrophobicContact CG2-CG1 3.78Å; L554-V564 HydrophobicContact CD2-CB 4.49Å; L554-V564 HydrophobicContact CD2-CG2 4.17Å; C557-V564 HydrophobicContact CB-CG2 3.73Å; V564-I566 HydrophobicContact CG1-CG1 4.5Å
565	L	98.6	Very high	92.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	126	169.4	175.5	64.2	0	0	0	110.4	F380 I456 F458 V459 Y460 I474 V567 F603	F380-L565 HydrophobicContact CB-CD1 3.74Å; I456-L565 HydrophobicContact CD1-CB 4.48Å; I456-L565 HydrophobicContact CG2-CB 3.85Å; F458-L565 PolarHBondContact O-N 3.44Å; V459-L565 WeakPolarHBondContact CA-O 3.42Å; V459-L565 HydrophobicContact CG1-CD2 4.47Å; V459-L565 HydrophobicContact CG2-CB 4.36Å; V459-L565 HydrophobicContact CG2-CD2 4.31Å; Y460-L565 PolarHBondContact N-O 3.5Å; I474-L565 HydrophobicContact CD1-CD2 4.5Å; I474-L565 HydrophobicContact CG2-CD2 3.85Å; L565-V567 HydrophobicContact CD1-CG2 4.46Å; L565-V567 HydrophobicContact CD2-CG2 3.99Å; L565-V567 HydrophobicContact CG-CG2 3.91Å; L565-F603 HydrophobicContact CD1-CE2 4.16Å; L565-F603 HydrophobicContact CD1-CZ 4.46Å
566	I	98.8	Very high	93.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.4	168.9	-69.4	-178.8	0	0	0	109.5	L379 F380 V381 C382 Y460 L492 T550 I553 V564 A568	L379-I566 HydrophobicContact CD1-CD1 3.82Å; L379-I566 HydrophobicContact CD1-CG1 4.03Å; F380-I566 PolarHBondContact O-N 2.84Å; V381-I566 WeakPolarHBondContact CA-O 3.35Å; V381-I566 HydrophobicContact CG1-CB 4.25Å; V381-I566 HydrophobicContact CG1-CG2 3.98Å; V381-I566 HydrophobicContact CG2-CB 4.3Å; C382-I566 PolarHBondContact N-O 2.9Å; Y460-I566 WeakPolarHBondContact O-CA 3.39Å; L492-I566 HydrophobicContact CD1-CD1 4.48Å; L492-I566 HydrophobicContact CD1-CG1 4.39Å; L492-I566 HydrophobicContact CD1-CG2 3.97Å; L492-I566 HydrophobicContact CD2-CD1 4.05Å; L492-I566 HydrophobicContact CD2-CG2 4.19Å; T550-I566 HydrophobicContact CG2-CD1 3.96Å; I553-I566 HydrophobicContact CD1-CD1 4.44Å; V564-I566 HydrophobicContact CG1-CG1 4.5Å; I566-A568 HydrophobicContact CG2-CB 4Å
567	V	98.9	Very high	93.4	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	105.7	174.7	-169.8	0	0	0	0	109.5	V459 Y460 C461 S462 C467 T470 A471 I474 L565	V459-V567 HydrophobicContact CG1-CG2 4.3Å; Y460-V567 PolarHBondContact O-N 3.14Å; C461-V567 WeakPolarHBondContact CA-O 3.39Å; C461-V567 HydrophobicContact CB-CB 4.15Å; C461-V567 VanDerWaalsContact CB-O 3.27Å; C461-V567 WeakPolarHBondContact CB-O 3.41Å; S462-V567 PolarHBondContact N-O 3.24Å; S462-V567 VanDerWaalsContact N-O 3.15Å; C467-V567 WeakPolarHBondContact O-CG1 3.13Å; T470-V567 HydrophobicContact CG2-CG1 3.66Å; A471-V567 HydrophobicContact CB-CB 4.01Å; A471-V567 HydrophobicContact CB-CG1 4.23Å; A471-V567 HydrophobicContact CB-CG2 3.83Å; I474-V567 HydrophobicContact CD1-CG1 4.48Å; I474-V567 HydrophobicContact CD1-CG2 4.11Å; L565-V567 HydrophobicContact CD1-CG2 4.46Å; L565-V567 HydrophobicContact CD2-CG2 3.99Å; L565-V567 HydrophobicContact CG-CG2 3.91Å
568	A	98.8	Very high	93.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	-130.4	-171	0	0	0	0	0	111.8	C382 H384 C467 L492 I566 S572	C382-A568 PolarHBondContact O-N 2.99Å; H384-A568 PolarHBondContact CD2-O 2.88Å; H384-A568 PolarHBondContact N-O 3.2Å; C467-A568 PolarHBondContact SG-O 3.32Å; L492-A568 HydrophobicContact CB-CB 4.44Å; I566-A568 HydrophobicContact CG2-CB 4Å; A568-S572 WeakPolarHBondContact CB-OG 3.27Å
569	H	98.4	Very high	94	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.009	12%	0.121	C	C	.	.			trans	-113.4	167.9	-169.2	-52.6	-80.9	0	0	0	110.9	H384 S462 S464 R466 C467 L492 F493 E494 S571 S572 L573	H384-H569 AromaticContact CD2-ND1 3.75Å; S462-H569 WeakPolarHBondContact CB-NE2 3.3Å; S462-H569 PolarHBondContact OG-NE2 3.13Å; S464-H569 PolarHBondContact OG-CE1 3.03Å; R466-H569 PolarHBondContact NH2-CE1 2.94Å; R466-H569 PolarHBondContact NH2-ND1 3.5Å; C467-H569 PolarHBondContact SG-CE1 2.77Å; L492-H569 PolarHBondContact O-CD2 3.37Å; F493-H569 AromaticContact CD2-NE2 3.88Å; E494-H569 HydrophobicContact CB-CB 4.07Å; E494-H569 PolarHBondContact N-CD2 3.45Å; E494-H569 VanDerWaalsContact N-CD2 3.29Å; E494-H569 PolarHBondContact N-NE2 3.25Å; E494-H569 IonicContact OE2-ND1 2.69Å; H569-S571 PolarHBondContact O-N 3.26Å; H569-S572 PolarHBondContact N-OG 2.99Å; H569-S572 VanDerWaalsContact N-OG 3.14Å; H569-S572 VanDerWaalsContact O-CB 3.26Å; H569-S572 WeakPolarHBondContact O-CB 3.48Å; H569-S572 PolarHBondContact O-N 3.25Å; H569-S572 PolarHBondContact O-OG 3.38Å; H569-L573 WeakPolarHBondContact O-CD1 3.48Å
570	A	93	Very high	94.8	Very high	6 Å²	6	17.4 Å²	17.4	5%	0.05	9%	0.092	C	C	.	.	H	α-helix	trans	-54.9	-39.4	174.7	0	0	0	0	0	111.4	R383 S572 L573 V595 I598	R383-A570 HydrophobicContact CG-CB 4.33Å; A570-S572 PolarHBondContact O-N 2.94Å; A570-L573 PolarHBondContact O-N 2.62Å; A570-V595 HydrophobicContact CB-CG1 3.71Å; A570-V595 WeakPolarHBondContact CB-O 3.49Å; A570-I598 HydrophobicContact CB-CB 4Å; A570-I598 HydrophobicContact CB-CD1 4.46Å; A570-I598 HydrophobicContact CB-CG2 4.18Å; A570-I598 WeakPolarHBondContact O-CD1 3.46Å
571	S	95.1	Very high	95.4	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.007	7%	0.071	C	C	.	.	H	α-helix	trans	-63.2	-24.5	175.8	65	0	0	0	0	114.7	Y542 H569 A575	Y542-S571 VanDerWaalsContact OH-CB 3.23Å; Y542-S571 WeakPolarHBondContact OH-CB 3.34Å; Y542-S571 PolarHBondContact OH-O 3.23Å; Y542-S571 PolarHBondContact OH-OG 2.92Å; H569-S571 PolarHBondContact O-N 3.26Å; S571-A575 WeakPolarHBondContact O-CB 3.35Å; S571-A575 PolarHBondContact O-N 3.24Å
572	S	98.4	Very high	95.8	Very high	1 Å²	1	16 Å²	16	1%	0.007	10%	0.096	C	C	.	.	H	α-helix	trans	-71.9	-32.2	-178	-54	0	0	0	0	112.7	A568 H569 A570 E574 A575 C576	A568-S572 WeakPolarHBondContact CB-OG 3.27Å; H569-S572 PolarHBondContact N-OG 2.99Å; H569-S572 VanDerWaalsContact N-OG 3.14Å; H569-S572 VanDerWaalsContact O-CB 3.26Å; H569-S572 WeakPolarHBondContact O-CB 3.48Å; H569-S572 PolarHBondContact O-N 3.25Å; H569-S572 PolarHBondContact O-OG 3.38Å; A570-S572 PolarHBondContact O-N 2.94Å; S572-E574 PolarHBondContact O-N 3.11Å; S572-A575 PolarHBondContact O-N 2.73Å; S572-C576 WeakPolarHBondContact O-CB 3.42Å; S572-C576 PolarHBondContact O-N 3.49Å; S572-C576 PolarHBondContact O-SG 2.95Å
573	L	97.8	Very high	96	Very high	19 Å²	19	18 Å²	18	10%	0.099	11%	0.105	C	C	.	.	H	α-helix	trans	-57.2	-40.3	-179	-79.5	75.6	0	0	0	111.8	V381 R383 H569 A570 T577 I598 C604	V381-L573 HydrophobicContact CG1-CD1 4.34Å; V381-L573 HydrophobicContact CG1-CG 4.3Å; R383-L573 HydrophobicContact CB-CD1 4.37Å; H569-L573 WeakPolarHBondContact O-CD1 3.48Å; A570-L573 PolarHBondContact O-N 2.62Å; L573-T577 WeakPolarHBondContact O-CB 3.33Å; L573-T577 WeakPolarHBondContact O-CG2 3.13Å; L573-T577 PolarHBondContact O-OG1 3.36Å; L573-I598 HydrophobicContact CB-CD1 4.1Å; L573-I598 HydrophobicContact CD1-CG2 4.09Å; L573-I598 HydrophobicContact CD2-CD1 4.2Å; L573-I598 HydrophobicContact CD2-CG1 4.48Å; L573-I598 HydrophobicContact CD2-CG2 3.78Å; L573-C604 HydrophobicContact CD2-CB 4.33Å
574	E	95.6	Very high	95.9	Very high	20 Å²	20	22.4 Å²	22.4	9%	0.093	14%	0.136	C	C	.	.	H	α-helix	trans	-87.2	-47.5	174.8	-176.6	173.6	157.4	0	0	112.1	S572 C576 T577 R578 Q586 F591	S572-E574 PolarHBondContact O-N 3.11Å; E574-C576 VanDerWaalsContact C-N 3.27Å; E574-C576 PolarHBondContact O-N 3.02Å; E574-T577 PolarHBondContact O-N 2.93Å; E574-T577 VanDerWaalsContact O-N 3.15Å; E574-R578 HydrophobicContact CG-CB 3.99Å; E574-R578 HydrophobicContact CG-CG 4.48Å; E574-R578 WeakPolarHBondContact O-CB 3.43Å; E574-R578 PolarHBondContact O-N 3.4Å; E574-R578 WeakPolarHBondContact OE1-CD 3.38Å; E574-R578 IonicContact OE1-CZ 3.29Å; E574-R578 IonicContact OE1-NE 3.93Å; E574-R578 IonicContact OE1-NH1 3.84Å; E574-R578 PolarHBondContact OE1-NH1 2.98Å; E574-Q586 VanDerWaalsContact OE1-CG 3.29Å; E574-Q586 WeakPolarHBondContact OE1-CG 3.39Å; E574-Q586 PolarHBondContact OE1-NE2 3.09Å; E574-Q586 PolarHBondContact OE2-NE2 2.83Å; E574-F591 HydrophobicContact CB-CE2 4.03Å; E574-F591 HydrophobicContact CG-CD2 4.38Å; E574-F591 HydrophobicContact CG-CE2 4.17Å
575	A	97.2	Very high	95.5	Very high	3 Å²	3	24.9 Å²	24.9	3%	0.025	15%	0.152	C	C	.	.	H	α-helix	trans	-64.1	-29.1	-173.5	0	0	0	0	0	113.8	Y542 I543 S546 S571 S572 F591	Y542-A575 HydrophobicContact CE1-CB 3.7Å; Y542-A575 WeakPolarHBondContact OH-CB 3.42Å; I543-A575 HydrophobicContact CD1-CB 3.79Å; S546-A575 WeakPolarHBondContact CB-O 3.5Å; S571-A575 WeakPolarHBondContact O-CB 3.35Å; S571-A575 PolarHBondContact O-N 3.24Å; S572-A575 PolarHBondContact O-N 2.73Å; A575-F591 HydrophobicContact CB-CZ 4.44Å
576	C	97.9	Very high	94.8	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.007	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-26.5	175.9	-65.3	0	0	0	0	113.2	V381 T550 S572 E574 I580	V381-C576 HydrophobicContact CG2-CB 4.26Å; T550-C576 HydrophobicContact CG2-CB 4.02Å; T550-C576 VanDerWaalsContact OG1-CB 3.31Å; T550-C576 WeakPolarHBondContact OG1-CB 3.38Å; T550-C576 PolarHBondContact OG1-SG 3.13Å; S572-C576 WeakPolarHBondContact O-CB 3.42Å; S572-C576 PolarHBondContact O-N 3.49Å; S572-C576 PolarHBondContact O-SG 2.95Å; E574-C576 VanDerWaalsContact C-N 3.27Å; E574-C576 PolarHBondContact O-N 3.02Å; C576-I580 WeakPolarHBondContact O-CD1 3.23Å; C576-I580 WeakPolarHBondContact O-CG1 3.4Å
577	T	96.9	Very high	94.3	Very high	4 Å²	4	31.1 Å²	31.1	3%	0.025	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-31.3	-171.8	64.1	0	0	0	0	114	L379 V381 L573 E574 I580 Q581 C606 L617	L379-T577 HydrophobicContact CD2-CG2 4.45Å; V381-T577 HydrophobicContact CG2-CG2 3.93Å; L573-T577 WeakPolarHBondContact O-CB 3.33Å; L573-T577 WeakPolarHBondContact O-CG2 3.13Å; L573-T577 PolarHBondContact O-OG1 3.36Å; E574-T577 PolarHBondContact O-N 2.93Å; E574-T577 VanDerWaalsContact O-N 3.15Å; T577-I580 PolarHBondContact O-N 2.95Å; T577-Q581 WeakPolarHBondContact O-CG 3.48Å; T577-Q581 PolarHBondContact O-N 2.8Å; T577-Q581 PolarHBondContact O-NE2 2.93Å; T577-C606 HydrophobicContact CG2-CB 4.43Å; T577-L617 HydrophobicContact CG2-CD2 4.28Å
578	R	94.7	Very high	93.6	Very high	62 Å²	62	33.5 Å²	33.5	23%	0.234	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-53.4	-165.6	-175.4	169.4	-177.7	98.2	14.6	113.5	E574 I580 Q581 L583 S584 Q586	E574-R578 HydrophobicContact CG-CB 3.99Å; E574-R578 HydrophobicContact CG-CG 4.48Å; E574-R578 WeakPolarHBondContact O-CB 3.43Å; E574-R578 PolarHBondContact O-N 3.4Å; E574-R578 WeakPolarHBondContact OE1-CD 3.38Å; E574-R578 IonicContact OE1-CZ 3.29Å; E574-R578 IonicContact OE1-NE 3.93Å; E574-R578 IonicContact OE1-NH1 3.84Å; E574-R578 PolarHBondContact OE1-NH1 2.98Å; R578-I580 VanDerWaalsContact C-N 3.29Å; R578-I580 PolarHBondContact O-N 3Å; R578-Q581 PolarHBondContact O-N 2.81Å; R578-L583 HydrophobicContact CG-CB 3.85Å; R578-L583 HydrophobicContact CG-CD1 4.47Å; R578-L583 WeakPolarHBondContact O-CB 3.46Å; R578-L583 PolarHBondContact O-N 2.95Å; R578-S584 VanDerWaalsContact CZ-O 3.31Å; R578-S584 PolarHBondContact NE-O 3.1Å; R578-S584 PolarHBondContact NH2-O 2.7Å; R578-Q586 VanDerWaalsContact NH1-CG 3.33Å
579	Q	94.9	Very high	92.5	Very high	47 Å²	47	41.2 Å²	41.2	22%	0.22	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-22.3	179.6	-69.1	-175.8	-83.2	0	0	113.1	F547 Q581 G582 P585	F547-Q579 HydrophobicContact CB-CB 4Å; F547-Q579 HydrophobicContact CB-CG 4.49Å; F547-Q579 HydrophobicContact CD1-CB 4.08Å; F547-Q579 HydrophobicContact CD2-CB 3.47Å; F547-Q579 VanDerWaalsContact CD2-CB 3.47Å; F547-Q579 HydrophobicContact CE1-CB 4.43Å; F547-Q579 HydrophobicContact CE2-CB 3.86Å; F547-Q579 HydrophobicContact CG-CB 3.58Å; F547-Q579 HydrophobicContact CG-CG 4.41Å; F547-Q579 HydrophobicContact CZ-CB 4.32Å; Q579-Q581 VanDerWaalsContact C-N 3.31Å; Q579-G582 PolarHBondContact O-N 2.86Å; Q579-G582 VanDerWaalsContact O-N 3.07Å; Q579-P585 HydrophobicContact CG-CG 4.11Å
580	I	93.2	Very high	91.4	Very high	25 Å²	25	45 Å²	45	13%	0.128	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-34.5	174.2	-59.3	-165.9	0	0	0	110.8	F547 T550 L554 C576 T577 R578 G582 W615	F547-I580 HydrophobicContact CD2-CG1 3.71Å; F547-I580 HydrophobicContact CE2-CG1 3.86Å; T550-I580 HydrophobicContact CG2-CD1 3.4Å; T550-I580 VanDerWaalsContact CG2-CD1 3.4Å; L554-I580 HydrophobicContact CD1-CD1 3.76Å; L554-I580 HydrophobicContact CD1-CG2 4.49Å; C576-I580 WeakPolarHBondContact O-CD1 3.23Å; C576-I580 WeakPolarHBondContact O-CG1 3.4Å; T577-I580 PolarHBondContact O-N 2.95Å; R578-I580 VanDerWaalsContact C-N 3.29Å; R578-I580 PolarHBondContact O-N 3Å; I580-G582 PolarHBondContact O-N 3.49Å; I580-W615 HydrophobicContact CG2-CB 3.72Å; I580-W615 HydrophobicContact CG2-CD2 3.77Å; I580-W615 HydrophobicContact CG2-CE3 4.47Å; I580-W615 HydrophobicContact CG2-CG 3.39Å
581	Q	93.3	Very high	90.7	Very high	37 Å²	37	44.7 Å²	44.7	17%	0.173	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	5.9	170.5	-62.1	169.2	88.6	0	0	113.6	T577 R578 Q579 L583 W615	T577-Q581 WeakPolarHBondContact O-CG 3.48Å; T577-Q581 PolarHBondContact O-N 2.8Å; T577-Q581 PolarHBondContact O-NE2 2.93Å; R578-Q581 PolarHBondContact O-N 2.81Å; Q579-Q581 VanDerWaalsContact C-N 3.31Å; Q581-L583 VanDerWaalsContact C-N 3.26Å; Q581-L583 HydrophobicContact CB-CD1 4.25Å; Q581-L583 HydrophobicContact CB-CG 4.09Å; Q581-L583 PolarHBondContact O-N 3.38Å; Q581-W615 WeakPolarHBondContact CA-O 3.48Å; Q581-W615 HydrophobicContact CG-CB 4.42Å; Q581-W615 WeakPolarHBondContact CG-O 3.38Å
582	G	90.8	Very high	89.7	Confident	68 Å²	68	46.3 Å²	46.3	70%	0.701	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.8	10.1	-176.4	0	0	0	0	0	114.9	Q579 I580	Q579-G582 PolarHBondContact O-N 2.86Å; Q579-G582 VanDerWaalsContact O-N 3.07Å; I580-G582 PolarHBondContact O-N 3.49Å
583	L	92	Very high	88.3	Confident	83 Å²	83	50.9 Å²	50.9	44%	0.435	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-84.2	142.6	-179.3	-55.1	175.1	0	0	0	111.6	R578 Q581	R578-L583 HydrophobicContact CG-CB 3.85Å; R578-L583 HydrophobicContact CG-CD1 4.47Å; R578-L583 WeakPolarHBondContact O-CB 3.46Å; R578-L583 PolarHBondContact O-N 2.95Å; Q581-L583 VanDerWaalsContact C-N 3.26Å; Q581-L583 HydrophobicContact CB-CD1 4.25Å; Q581-L583 HydrophobicContact CB-CG 4.09Å; Q581-L583 PolarHBondContact O-N 3.38Å
584	S	91.4	Very high	87.3	Confident	91 Å²	91	52.6 Å²	52.6	64%	0.636	29%	0.294	S	S	*	.	P	Polyproline II helix	trans	-68.4	141.7	171.6	52	0	0	0	0	111.3	R578	R578-S584 VanDerWaalsContact CZ-O 3.31Å; R578-S584 PolarHBondContact NE-O 3.1Å; R578-S584 PolarHBondContact NH2-O 2.7Å
585	P	90.2	Very high	86.4	Confident	52 Å²	52	52.5 Å²	52.5	34%	0.338	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-53	147.7	174.1	-27.8	36.5	0	0	0	113.1	I543 Q579	I543-P585 HydrophobicContact CG2-CB 4.03Å; I543-P585 HydrophobicContact CG2-CG 3.71Å; Q579-P585 HydrophobicContact CG-CG 4.11Å
586	Q	83.4	Confident	85.1	Confident	49 Å²	49	58.9 Å²	58.9	23%	0.229	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-68.8	170.2	167.9	-63.9	-162.7	81	0	0	110.8	Y539 E574 R578	Y539-Q586 WeakPolarHBondContact CE1-O 3.37Å; Y539-Q586 VanDerWaalsContact CZ-O 3.27Å; Y539-Q586 PolarHBondContact OH-O 3.24Å; E574-Q586 VanDerWaalsContact OE1-CG 3.29Å; E574-Q586 WeakPolarHBondContact OE1-CG 3.39Å; E574-Q586 PolarHBondContact OE1-NE2 3.09Å; E574-Q586 PolarHBondContact OE2-NE2 2.83Å; R578-Q586 VanDerWaalsContact NH1-CG 3.33Å
587	N	89.6	Confident	84.1	Confident	83 Å²	83	65.2 Å²	65.2	44%	0.444	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-72.4	158	162.1	72	74.3	0	0	0	110.1	K589 D590 F591	N587-K589 PolarHBondContact O-N 3.38Å; N587-K589 WeakPolarHBondContact OD1-CB 3.25Å; N587-K589 PolarHBondContact OD1-N 3.37Å; N587-D590 VanDerWaalsContact ND2-CG 3.32Å; N587-D590 PolarHBondContact ND2-OD2 2.8Å; N587-D590 PolarHBondContact O-N 3.21Å; N587-D590 PolarHBondContact OD1-N 3.07Å; N587-D590 VanDerWaalsContact OD1-N 3.08Å; N587-F591 WeakPolarHBondContact O-CB 3.31Å; N587-F591 PolarHBondContact O-N 3.35Å
588	S	82.8	Confident	83.4	Confident	50 Å²	50	66.1 Å²	66.1	35%	0.35	35%	0.35	S	S	.	.	H	α-helix	trans	-66.4	-19.2	-173.6	57.2	0	0	0	0	115	V592	S588-V592 VanDerWaalsContact O-CG2 3.24Å; S588-V592 WeakPolarHBondContact O-CG2 3.34Å; S588-V592 PolarHBondContact O-N 2.94Å
589	K	76.9	Confident	83.1	Confident	162 Å²	162	66.7 Å²	66.7	70%	0.704	36%	0.362	S	S	*	.	H	α-helix	trans	-76.6	-51.6	175.3	-65.4	-175.9	177.6	-177.2	0	110.6	N587 F591 V592 Q593	N587-K589 PolarHBondContact O-N 3.38Å; N587-K589 WeakPolarHBondContact OD1-CB 3.25Å; N587-K589 PolarHBondContact OD1-N 3.37Å; K589-F591 VanDerWaalsContact C-N 3.28Å; K589-F591 PolarHBondContact O-N 2.73Å; K589-V592 PolarHBondContact O-N 3.48Å; K589-V592 VanDerWaalsContact O-N 3.14Å; K589-Q593 WeakPolarHBondContact O-CG 3.22Å; K589-Q593 PolarHBondContact O-N 2.97Å; K589-Q593 VanDerWaalsContact O-N 3.15Å
590	D	74.1	Confident	83.2	Confident	80 Å²	80	66.7 Å²	66.7	43%	0.428	36%	0.36	S	S	.	.	H	α-helix	trans	-64.2	-38.1	-179.8	-62.7	-14.5	0	0	0	110.9	N587 V592 Q593 V594	N587-D590 VanDerWaalsContact ND2-CG 3.32Å; N587-D590 PolarHBondContact ND2-OD2 2.8Å; N587-D590 PolarHBondContact O-N 3.21Å; N587-D590 PolarHBondContact OD1-N 3.07Å; N587-D590 VanDerWaalsContact OD1-N 3.08Å; D590-V592 PolarHBondContact O-N 3.25Å; D590-Q593 PolarHBondContact O-N 3.23Å; D590-Q593 VanDerWaalsContact O-N 3.12Å; D590-V594 PolarHBondContact O-N 3.43Å
591	F	78.7	Confident	83.4	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-53.9	-50	171	-177.7	-101.3	0	0	0	112.3	W498 Y539 Y542 I543 E574 A575 N587 K589 Q593 V594 V595	W498-F591 HydrophobicContact CH2-CE1 4.14Å; Y539-F591 HydrophobicContact CD2-CD1 4.32Å; Y539-F591 HydrophobicContact CE2-CB 3.85Å; Y539-F591 AromaticContact CE2-CD1 3.69Å; Y539-F591 HydrophobicContact CE2-CD1 3.69Å; Y539-F591 HydrophobicContact CE2-CD2 4.15Å; Y539-F591 HydrophobicContact CE2-CE1 4.29Å; Y539-F591 AromaticContact CE2-CG 3.61Å; Y539-F591 HydrophobicContact CE2-CG 3.61Å; Y542-F591 HydrophobicContact CD1-CE1 4.47Å; Y542-F591 HydrophobicContact CD1-CZ 4.49Å; Y542-F591 AromaticContact CE1-CE1 3.94Å; Y542-F591 HydrophobicContact CE1-CE1 3.94Å; Y542-F591 AromaticContact CE1-CZ 3.68Å; Y542-F591 HydrophobicContact CE1-CZ 3.68Å; I543-F591 HydrophobicContact CD1-CD2 4.39Å; I543-F591 HydrophobicContact CD1-CE2 3.94Å; I543-F591 HydrophobicContact CD1-CZ 4.2Å; E574-F591 HydrophobicContact CB-CE2 4.03Å; E574-F591 HydrophobicContact CG-CD2 4.38Å; E574-F591 HydrophobicContact CG-CE2 4.17Å; A575-F591 HydrophobicContact CB-CZ 4.44Å; N587-F591 WeakPolarHBondContact O-CB 3.31Å; N587-F591 PolarHBondContact O-N 3.35Å; K589-F591 VanDerWaalsContact C-N 3.28Å; K589-F591 PolarHBondContact O-N 2.73Å; F591-Q593 VanDerWaalsContact C-N 3.27Å; F591-Q593 PolarHBondContact O-N 2.94Å; F591-V594 PolarHBondContact O-N 3.13Å; F591-V595 HydrophobicContact CD1-CG2 4.1Å; F591-V595 HydrophobicContact CE1-CG2 3.71Å; F591-V595 HydrophobicContact CE2-CG2 4.23Å; F591-V595 HydrophobicContact CZ-CG2 3.76Å; F591-V595 VanDerWaalsContact O-CG2 3.3Å; F591-V595 WeakPolarHBondContact O-CG2 3.45Å; F591-V595 PolarHBondContact O-N 2.67Å
592	V	73.1	Confident	83.6	Confident	36 Å²	36	64.7 Å²	64.7	22%	0.218	35%	0.353	C	S	.	.	H	α-helix	trans	-60.1	-36.6	177.6	168	0	0	0	0	111.8	W495 W498 S588 K589 D590 V595 R596	W495-V592 HydrophobicContact CZ3-CG2 4.4Å; W498-V592 HydrophobicContact CZ2-CG2 4.17Å; S588-V592 VanDerWaalsContact O-CG2 3.24Å; S588-V592 WeakPolarHBondContact O-CG2 3.34Å; S588-V592 PolarHBondContact O-N 2.94Å; K589-V592 PolarHBondContact O-N 3.48Å; K589-V592 VanDerWaalsContact O-N 3.14Å; D590-V592 PolarHBondContact O-N 3.25Å; V592-V595 PolarHBondContact O-N 3.49Å; V592-R596 WeakPolarHBondContact O-CG 3.5Å; V592-R596 PolarHBondContact O-N 3.47Å; V592-R596 VanDerWaalsContact O-N 3.11Å
593	Q	69.4	Low	84	Confident	97 Å²	97	63 Å²	63	45%	0.453	33%	0.327	S	S	.	.	H	α-helix	trans	-68.9	-35.4	177.2	-61	-60.3	-12.5	0	0	113.1	K589 D590 F591 K597	K589-Q593 WeakPolarHBondContact O-CG 3.22Å; K589-Q593 PolarHBondContact O-N 2.97Å; K589-Q593 VanDerWaalsContact O-N 3.15Å; D590-Q593 PolarHBondContact O-N 3.23Å; D590-Q593 VanDerWaalsContact O-N 3.12Å; F591-Q593 VanDerWaalsContact C-N 3.27Å; F591-Q593 PolarHBondContact O-N 2.94Å; Q593-K597 WeakPolarHBondContact O-CG 3.48Å
594	V	77	Confident	84.2	Confident	55 Å²	55	60.1 Å²	60.1	33%	0.333	31%	0.313	S	S	.	.	H	α-helix	trans	-66.7	-46.4	171.7	175.7	0	0	0	0	110.5	D590 F591 R596 K597 I598	D590-V594 PolarHBondContact O-N 3.43Å; F591-V594 PolarHBondContact O-N 3.13Å; V594-R596 VanDerWaalsContact C-N 3.28Å; V594-R596 PolarHBondContact O-N 3.3Å; V594-K597 PolarHBondContact O-N 2.81Å; V594-I598 HydrophobicContact CG1-CD1 4.36Å
595	V	77.9	Confident	84.5	Confident	18 Å²	18	55.9 Å²	55.9	11%	0.109	28%	0.284	C	S	.	.	H	α-helix	trans	-58.6	-38.3	-178.1	171.4	0	0	0	0	112.8	W498 A570 F591 V592 K597 I598	W498-V595 HydrophobicContact CH2-CG1 3.85Å; W498-V595 HydrophobicContact CH2-CG2 4.39Å; W498-V595 HydrophobicContact CZ3-CG1 4.35Å; A570-V595 HydrophobicContact CB-CG1 3.71Å; A570-V595 WeakPolarHBondContact CB-O 3.49Å; F591-V595 HydrophobicContact CD1-CG2 4.1Å; F591-V595 HydrophobicContact CE1-CG2 3.71Å; F591-V595 HydrophobicContact CE2-CG2 4.23Å; F591-V595 HydrophobicContact CZ-CG2 3.76Å; F591-V595 VanDerWaalsContact O-CG2 3.3Å; F591-V595 WeakPolarHBondContact O-CG2 3.45Å; F591-V595 PolarHBondContact O-N 2.67Å; V592-V595 PolarHBondContact O-N 3.49Å; V595-K597 VanDerWaalsContact C-N 3.26Å; V595-K597 PolarHBondContact O-N 2.95Å; V595-I598 PolarHBondContact O-N 2.93Å
596	R	68.8	Low	84.8	Confident	137 Å²	137	53.4 Å²	53.4	52%	0.517	27%	0.268	S	S	.	.	H	α-helix	trans	-61.6	-30.4	177	-80.2	174.1	157.8	170.3	-7.4	114	E282 V592 V594	E282-R596 IonicContact OE1-CZ 3.56Å; E282-R596 IonicContact OE1-NE 2.92Å; E282-R596 PolarHBondContact OE1-NE 2.93Å; E282-R596 IonicContact OE1-NH2 2.77Å; E282-R596 PolarHBondContact OE1-NH2 2.79Å; E282-R596 IonicContact OE2-NH2 3.4Å; V592-R596 WeakPolarHBondContact O-CG 3.5Å; V592-R596 PolarHBondContact O-N 3.47Å; V592-R596 VanDerWaalsContact O-N 3.11Å; V594-R596 VanDerWaalsContact C-N 3.28Å; V594-R596 PolarHBondContact O-N 3.3Å
597	K	76.9	Confident	85.2	Confident	134 Å²	134	53.3 Å²	53.3	58%	0.583	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-7.3	-173.5	-65.8	179.5	179.4	-166.5	0	114.3	Q593 V594 V595 P599	Q593-K597 WeakPolarHBondContact O-CG 3.48Å; V594-K597 PolarHBondContact O-N 2.81Å; V595-K597 VanDerWaalsContact C-N 3.26Å; V595-K597 PolarHBondContact O-N 2.95Å; K597-P599 WeakPolarHBondContact O-CD 3.3Å
598	I	83.3	Confident	85.3	Confident	22 Å²	22	50.4 Å²	50.4	11%	0.113	25%	0.251	C	S	.	.			trans	-85.8	113.2	-177.8	-65	165.9	0	0	0	109.1	R383 A570 L573 V594 V595	R383-I598 HydrophobicContact CB-CG2 4.34Å; R383-I598 PolarHBondContact NH1-O 2.79Å; A570-I598 HydrophobicContact CB-CB 4Å; A570-I598 HydrophobicContact CB-CD1 4.46Å; A570-I598 HydrophobicContact CB-CG2 4.18Å; A570-I598 WeakPolarHBondContact O-CD1 3.46Å; L573-I598 HydrophobicContact CB-CD1 4.1Å; L573-I598 HydrophobicContact CD1-CG2 4.09Å; L573-I598 HydrophobicContact CD2-CD1 4.2Å; L573-I598 HydrophobicContact CD2-CG1 4.48Å; L573-I598 HydrophobicContact CD2-CG2 3.78Å; V594-I598 HydrophobicContact CG1-CD1 4.36Å; V595-I598 PolarHBondContact O-N 2.93Å
599	P	86.6	Confident	85.3	Confident	75 Å²	75	50.7 Å²	50.7	49%	0.487	25%	0.248	S	C	.	.			trans	-69.9	171.1	-178.5	30.8	-36.7	0	0	0	112.4	R383 K597 G602	R383-P599 WeakPolarHBondContact CD-O 3.49Å; K597-P599 WeakPolarHBondContact O-CD 3.3Å; P599-G602 PolarHBondContact O-N 3.1Å
600	Y	97.6	Very high	84.8	Confident	46 Å²	46	44.8 Å²	44.8	18%	0.18	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	139.3	166.1	-62	-57.5	0	0	0	110.4	H384 G385 E386 R387 V390 G602	H384-Y600 AromaticContact CE1-CE1 3.9Å; G385-Y600 WeakPolarHBondContact O-CD1 3.45Å; E386-Y600 HydrophobicContact CB-CD2 3.87Å; E386-Y600 HydrophobicContact CB-CE2 3.94Å; E386-Y600 HydrophobicContact CB-CG 4.29Å; E386-Y600 HydrophobicContact CG-CD2 4.28Å; E386-Y600 HydrophobicContact CG-CE2 3.9Å; R387-Y600 HydrophobicContact CG-CE1 4.33Å; V390-Y600 WeakPolarHBondContact CB-OH 3.16Å; V390-Y600 WeakPolarHBondContact CG1-OH 3.16Å; V390-Y600 WeakPolarHBondContact CG2-OH 3.42Å; Y600-G602 PolarHBondContact O-N 3.38Å
601	L	98.3	Very high	84.3	Confident	9 Å²	9	50.4 Å²	50.4	5%	0.047	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	14.4	-169.9	-80.5	-58.3	0	0	0	115.2	R383 H384 Q441 A442 V445 T470 I474 F603	R383-L601 WeakPolarHBondContact O-CA 3.28Å; R383-L601 PolarHBondContact O-N 3.48Å; H384-L601 PolarHBondContact O-N 3.03Å; Q441-L601 HydrophobicContact CB-CD2 3.61Å; Q441-L601 HydrophobicContact CB-CG 4.03Å; A442-L601 HydrophobicContact CB-CD1 4.42Å; A442-L601 HydrophobicContact CB-CD2 4.39Å; V445-L601 HydrophobicContact CB-CD1 4.22Å; V445-L601 HydrophobicContact CG1-CD1 4.43Å; V445-L601 HydrophobicContact CG2-CB 3.95Å; V445-L601 HydrophobicContact CG2-CD1 3.96Å; V445-L601 HydrophobicContact CG2-CG 3.91Å; T470-L601 HydrophobicContact CG2-CD1 3.77Å; T470-L601 HydrophobicContact CG2-CD2 4.23Å; I474-L601 HydrophobicContact CD1-CD1 4.06Å; L601-F603 PolarHBondContact O-N 3.24Å
602	G	97	Very high	83.9	Confident	11 Å²	11	54.8 Å²	54.8	11%	0.113	28%	0.284	C	S	.	.			trans	-52.2	128.1	167.1	0	0	0	0	0	109.7	C382 R383 P599 Y600	C382-G602 CarbonylContact C-O 3.35Å; C382-G602 VanDerWaalsContact CA-O 3.25Å; C382-G602 WeakPolarHBondContact CA-O 3.46Å; R383-G602 PolarHBondContact N-O 3.25Å; P599-G602 PolarHBondContact O-N 3.1Å; Y600-G602 PolarHBondContact O-N 3.38Å
603	F	98.3	Very high	84.1	Confident	34 Å²	34	54.9 Å²	54.9	15%	0.149	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	132.5	-162	-165.7	-73.1	0	0	0	109.6	F380 V381 C382 V445 L449 L565 L601 P620 I622	F380-F603 HydrophobicContact CB-CE1 3.79Å; F380-F603 HydrophobicContact CB-CE2 4.39Å; F380-F603 HydrophobicContact CB-CZ 3.54Å; F380-F603 AromaticContact CD1-CE1 3.69Å; F380-F603 HydrophobicContact CD1-CE1 3.69Å; F380-F603 HydrophobicContact CD1-CZ 4.04Å; F380-F603 HydrophobicContact CD2-CZ 4.08Å; F380-F603 HydrophobicContact CE1-CE1 4.44Å; F380-F603 AromaticContact CG-CE1 3.77Å; F380-F603 HydrophobicContact CG-CE1 3.77Å; F380-F603 AromaticContact CG-CZ 3.63Å; F380-F603 HydrophobicContact CG-CZ 3.63Å; V381-F603 WeakPolarHBondContact O-CA 3.16Å; C382-F603 HydrophobicContact CB-CB 4.41Å; C382-F603 HydrophobicContact CB-CD2 3.63Å; C382-F603 HydrophobicContact CB-CE2 4.28Å; C382-F603 HydrophobicContact CB-CG 4.24Å; V445-F603 HydrophobicContact CG1-CD2 4.14Å; V445-F603 HydrophobicContact CG1-CE2 4.15Å; L449-F603 HydrophobicContact CD1-CE2 4.25Å; L449-F603 HydrophobicContact CD1-CZ 4.47Å; L449-F603 HydrophobicContact CD2-CZ 4.09Å; L565-F603 HydrophobicContact CD1-CE2 4.16Å; L565-F603 HydrophobicContact CD1-CZ 4.46Å; L601-F603 PolarHBondContact O-N 3.24Å; F603-P620 HydrophobicContact CD1-CB 3.74Å; F603-P620 HydrophobicContact CD1-CG 3.98Å; F603-P620 HydrophobicContact CE1-CB 4.08Å; F603-I622 HydrophobicContact CD1-CD1 4.47Å; F603-I622 HydrophobicContact CD2-CD1 3.93Å; F603-I622 HydrophobicContact CE2-CD1 3.99Å; F603-I622 HydrophobicContact CG-CD1 4.18Å; F603-I622 HydrophobicContact CZ-CD1 4.28Å
604	C	97.6	Very high	84.9	Confident	21 Å²	21	53.7 Å²	53.7	14%	0.142	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	153.8	170	68.4	0	0	0	0	111.5	F380 V381 L573 L617	F380-C604 WeakPolarHBondContact CA-O 3.24Å; V381-C604 PolarHBondContact N-O 3.44Å; V381-C604 PolarHBondContact O-N 3.5Å; L573-C604 HydrophobicContact CD2-CB 4.33Å; C604-L617 HydrophobicContact CB-CD2 4.08Å
605	A	97.4	Very high	85.7	Confident	2 Å²	2	52.2 Å²	52.2	2%	0.017	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	140.4	177.8	0	0	0	0	0	110.4	L379 F380 L617 V618 P620	L379-A605 CarbonylContact O-C 3.54Å; F380-A605 HydrophobicContact CD1-CB 3.6Å; F380-A605 HydrophobicContact CE1-CB 3.65Å; A605-L617 CarbonylContact O-C 3.5Å; A605-L617 VanDerWaalsContact O-CA 3.31Å; A605-L617 WeakPolarHBondContact O-CA 3.39Å; A605-L617 VanDerWaalsContact O-CD2 3.29Å; A605-L617 WeakPolarHBondContact O-CD2 3.34Å; A605-V618 HydrophobicContact CB-CG2 3.82Å; A605-V618 PolarHBondContact O-N 3.01Å; A605-P620 HydrophobicContact CB-CG 4.44Å
606	C	95.6	Very high	86.4	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.9	178.4	-161.2	0	0	0	0	108.9	L379 T577 W615 Q616 L617	L379-C606 HydrophobicContact CB-CB 4.28Å; L379-C606 PolarHBondContact N-O 2.99Å; L379-C606 PolarHBondContact O-N 3Å; T577-C606 HydrophobicContact CG2-CB 4.43Å; C606-W615 HydrophobicContact CB-CE3 4.22Å; C606-Q616 CarbonylContact C-O 3.51Å; C606-Q616 VanDerWaalsContact CA-O 3.27Å; C606-Q616 WeakPolarHBondContact CA-O 3.26Å; C606-Q616 VanDerWaalsContact SG-C 3.53Å; C606-Q616 PolarHBondContact SG-O 2.63Å; C606-Q616 VanDerWaalsContact SG-O 3.36Å; C606-L617 HydrophobicContact CB-CD2 4.31Å
607	E	93.2	Very high	87.6	Confident	47 Å²	47	52.8 Å²	52.8	22%	0.22	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	138.5	-176	-83.3	-170	178.2	0	0	112.3	R378 W615 Q616 V618	R378-E607 VanDerWaalsContact CD-OE1 3.31Å; R378-E607 WeakPolarHBondContact CD-OE1 3.41Å; R378-E607 HydrophobicContact CG-CG 3.51Å; R378-E607 IonicContact NE-OE1 3.29Å; R378-E607 IonicContact NH1-OE1 3.1Å; E607-W615 WeakPolarHBondContact O-CA 3.45Å; E607-Q616 PolarHBondContact N-O 2.96Å; E607-Q616 PolarHBondContact O-N 3.1Å; E607-Q616 VanDerWaalsContact O-N 3.09Å; E607-V618 HydrophobicContact CB-CG1 4.21Å; E607-V618 HydrophobicContact CB-CG2 4.35Å; E607-V618 HydrophobicContact CG-CG1 4.5Å; E607-V618 HydrophobicContact CG-CG2 3.88Å
608	E	90.9	Very high	88.4	Confident	22 Å²	22	48.2 Å²	48.2	10%	0.103	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81	116.7	171.1	-170.7	172.8	-144.6	0	0	110.7	M377 K558 G610 W615	M377-E608 HydrophobicContact CB-CB 3.99Å; M377-E608 WeakPolarHBondContact CG-OE2 3.45Å; M377-E608 PolarHBondContact O-N 3.01Å; K558-E608 IonicContact NZ-OE1 2.68Å; K558-E608 PolarHBondContact NZ-OE1 2.73Å; K558-E608 IonicContact NZ-OE2 3.76Å; K558-E608 PolarHBondContact NZ-OE2 2.87Å; E608-G610 PolarHBondContact O-N 3.46Å; E608-W615 HydrophobicContact CB-CD2 4.04Å; E608-W615 HydrophobicContact CB-CE3 4.4Å; E608-W615 HydrophobicContact CB-CH2 4.21Å; E608-W615 HydrophobicContact CB-CZ2 3.8Å; E608-W615 HydrophobicContact CB-CZ3 4.48Å; E608-W615 HydrophobicContact CG-CZ2 4.33Å
609	L	82.6	Confident	88.9	Confident	56 Å²	56	54.5 Å²	54.5	29%	0.293	31%	0.306	S	S	.	.			trans	-71.8	109.8	175.9	-67.3	176.9	0	0	0	110.5	E611 T612 G613 V614 Q616	L609-E611 PolarHBondContact O-N 3.21Å; L609-T612 WeakPolarHBondContact CB-OG1 3.35Å; L609-T612 PolarHBondContact O-N 2.93Å; L609-G613 PolarHBondContact O-N 3.47Å; L609-V614 WeakPolarHBondContact CB-O 3.41Å; L609-V614 HydrophobicContact CD1-CB 4.48Å; L609-V614 WeakPolarHBondContact CG-O 3.39Å; L609-V614 PolarHBondContact N-O 2.79Å; L609-Q616 HydrophobicContact CD1-CG 4.4Å; L609-Q616 HydrophobicContact CD2-CG 4.45Å; L609-Q616 HydrophobicContact CG-CG 4.3Å
610	G	66.3	Low	89.4	Confident	37 Å²	37	52.9 Å²	52.9	38%	0.381	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-17.5	-166.2	0	0	0	0	0	117.9	E608	E608-G610 PolarHBondContact O-N 3.46Å
611	E	63.3	Low	89.2	Confident	198 Å²	198	52.8 Å²	52.8	93%	0.925	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-21.4	176.6	-66.5	-174.7	174.4	0	0	113.6	L609	L609-E611 PolarHBondContact O-N 3.21Å
612	T	71.3	Confident	89.2	Confident	92 Å²	92	53.5 Å²	53.5	56%	0.564	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	-16.6	-172.7	60.5	0	0	0	0	113.8	L609 V614	L609-T612 WeakPolarHBondContact CB-OG1 3.35Å; L609-T612 PolarHBondContact O-N 2.93Å; T612-V614 PolarHBondContact O-N 3.16Å; T612-V614 WeakPolarHBondContact OG1-CB 3.45Å; T612-V614 PolarHBondContact OG1-N 3.03Å
613	G	77.6	Confident	89.1	Confident	38 Å²	38	60.5 Å²	60.5	39%	0.392	34%	0.338	S	S	.	.			trans	66.5	7.8	-171.1	0	0	0	0	0	113.8	L609	L609-G613 PolarHBondContact O-N 3.47Å
614	V	85.7	Confident	88.7	Confident	73 Å²	73	64.4 Å²	64.4	44%	0.442	37%	0.368	S	S	.	.			trans	-78.8	133	179.1	175.6	0	0	0	0	109	L609 T612	L609-V614 WeakPolarHBondContact CB-O 3.41Å; L609-V614 HydrophobicContact CD1-CB 4.48Å; L609-V614 WeakPolarHBondContact CG-O 3.39Å; L609-V614 PolarHBondContact N-O 2.79Å; T612-V614 PolarHBondContact O-N 3.16Å; T612-V614 WeakPolarHBondContact OG1-CB 3.45Å; T612-V614 PolarHBondContact OG1-N 3.03Å
615	W	92.8	Very high	88.2	Confident	23 Å²	23	66.4 Å²	66.4	9%	0.087	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	142.5	173.5	-70.9	75	0	0	0	110.5	M377 L379 L554 I580 Q581 C606 E607 E608	M377-W615 HydrophobicContact CB-CH2 3.5Å; M377-W615 HydrophobicContact CB-CZ2 3.77Å; M377-W615 HydrophobicContact CB-CZ3 4.48Å; L379-W615 HydrophobicContact CB-CH2 4.33Å; L379-W615 HydrophobicContact CB-CZ3 3.71Å; L554-W615 HydrophobicContact CD1-CH2 3.77Å; L554-W615 HydrophobicContact CD1-CZ2 3.68Å; L554-W615 HydrophobicContact CD1-CZ3 4.36Å; L554-W615 HydrophobicContact CD2-CH2 3.6Å; L554-W615 HydrophobicContact CD2-CZ2 4.08Å; L554-W615 HydrophobicContact CD2-CZ3 4.45Å; L554-W615 HydrophobicContact CG-CH2 4.27Å; L554-W615 HydrophobicContact CG-CZ2 4.36Å; I580-W615 HydrophobicContact CG2-CB 3.72Å; I580-W615 HydrophobicContact CG2-CD2 3.77Å; I580-W615 HydrophobicContact CG2-CE3 4.47Å; I580-W615 HydrophobicContact CG2-CG 3.39Å; Q581-W615 WeakPolarHBondContact CA-O 3.48Å; Q581-W615 HydrophobicContact CG-CB 4.42Å; Q581-W615 WeakPolarHBondContact CG-O 3.38Å; C606-W615 HydrophobicContact CB-CE3 4.22Å; E607-W615 WeakPolarHBondContact O-CA 3.45Å; E608-W615 HydrophobicContact CB-CD2 4.04Å; E608-W615 HydrophobicContact CB-CE3 4.4Å; E608-W615 HydrophobicContact CB-CH2 4.21Å; E608-W615 HydrophobicContact CB-CZ2 3.8Å; E608-W615 HydrophobicContact CB-CZ3 4.48Å; E608-W615 HydrophobicContact CG-CZ2 4.33Å
616	Q	92.9	Very high	87.5	Confident	82 Å²	82	71.2 Å²	71.2	38%	0.383	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	144.8	174	62.6	175.1	26.5	0	0	110.7	C606 E607 L609 V618	C606-Q616 CarbonylContact C-O 3.51Å; C606-Q616 VanDerWaalsContact CA-O 3.27Å; C606-Q616 WeakPolarHBondContact CA-O 3.26Å; C606-Q616 VanDerWaalsContact SG-C 3.53Å; C606-Q616 PolarHBondContact SG-O 2.63Å; C606-Q616 VanDerWaalsContact SG-O 3.36Å; E607-Q616 PolarHBondContact N-O 2.96Å; E607-Q616 PolarHBondContact O-N 3.1Å; E607-Q616 VanDerWaalsContact O-N 3.09Å; L609-Q616 HydrophobicContact CD1-CG 4.4Å; L609-Q616 HydrophobicContact CD2-CG 4.45Å; L609-Q616 HydrophobicContact CG-CG 4.3Å; Q616-V618 HydrophobicContact CG-CG1 4.12Å
617	L	94.8	Very high	87	Confident	85 Å²	85	75.3 Å²	75.3	45%	0.445	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	140	165.6	-74.5	167.2	0	0	0	110.3	T577 C604 A605 C606	T577-L617 HydrophobicContact CG2-CD2 4.28Å; C604-L617 HydrophobicContact CB-CD2 4.08Å; A605-L617 CarbonylContact O-C 3.5Å; A605-L617 VanDerWaalsContact O-CA 3.31Å; A605-L617 WeakPolarHBondContact O-CA 3.39Å; A605-L617 VanDerWaalsContact O-CD2 3.29Å; A605-L617 WeakPolarHBondContact O-CD2 3.34Å; C606-L617 HydrophobicContact CB-CD2 4.31Å
618	V	93.9	Very high	86.1	Confident	39 Å²	39	75.2 Å²	75.2	24%	0.236	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	165.2	176.7	-61.6	0	0	0	0	109.5	A605 E607 Q616	A605-V618 HydrophobicContact CB-CG2 3.82Å; A605-V618 PolarHBondContact O-N 3.01Å; E607-V618 HydrophobicContact CB-CG1 4.21Å; E607-V618 HydrophobicContact CB-CG2 4.35Å; E607-V618 HydrophobicContact CG-CG1 4.5Å; E607-V618 HydrophobicContact CG-CG2 3.88Å; Q616-V618 HydrophobicContact CG-CG1 4.12Å
619	D	93.6	Very high	85.4	Confident	153 Å²	153	78.2 Å²	78.2	82%	0.818	46%	0.457	S	S	*	.			trans	-60.6	131.7	173.5	-67.4	-43.5	0	0	0	110.7
620	P	96.1	Very high	85.1	Confident	41 Å²	41	82.5 Å²	82.5	27%	0.266	48%	0.481	S	S	.	.			trans	-58	148.9	172.8	-27.2	36.6	0	0	0	112.8	F603 A605 I622	F603-P620 HydrophobicContact CD1-CB 3.74Å; F603-P620 HydrophobicContact CD1-CG 3.98Å; F603-P620 HydrophobicContact CE1-CB 4.08Å; A605-P620 HydrophobicContact CB-CG 4.44Å; P620-I622 HydrophobicContact CB-CG1 4.25Å; P620-I622 PolarHBondContact O-N 3.19Å
621	P	94.8	Very high	85.6	Confident	44 Å²	44	86.6 Å²	86.6	29%	0.286	49%	0.49	S	S	.	.	S	Bend	trans	-76.2	18.1	177.8	35	-38.3	0	0	0	113.2	F380 L449 S452 T454	F380-P621 HydrophobicContact CE1-CG 4.09Å; F380-P621 HydrophobicContact CZ-CG 3.81Å; L449-P621 HydrophobicContact CD2-CG 4.14Å; S452-P621 WeakPolarHBondContact CB-O 3.37Å; S452-P621 PolarHBondContact OG-O 3.23Å; T454-P621 HydrophobicContact CG2-CG 4.02Å; T454-P621 WeakPolarHBondContact OG1-CB 3.26Å; T454-P621 WeakPolarHBondContact OG1-CG 3.29Å
622	I	97.3	Very high	86.2	Confident	25 Å²	25	82.5 Å²	82.5	13%	0.128	48%	0.483	C	S	.	.	S	Bend	trans	-144.1	152.5	-177.2	58.1	172	0	0	0	109.9	V445 A448 L449 F603 P620	V445-I622 HydrophobicContact CG1-CD1 3.88Å; A448-I622 HydrophobicContact CB-CB 4.13Å; A448-I622 HydrophobicContact CB-CG2 3.74Å; L449-I622 HydrophobicContact CB-CG2 4.48Å; L449-I622 HydrophobicContact CD2-CD1 4.3Å; L449-I622 HydrophobicContact CD2-CG2 3.79Å; L449-I622 HydrophobicContact CG-CD1 4.26Å; L449-I622 HydrophobicContact CG-CG2 3.96Å; F603-I622 HydrophobicContact CD1-CD1 4.47Å; F603-I622 HydrophobicContact CD2-CD1 3.93Å; F603-I622 HydrophobicContact CE2-CD1 3.99Å; F603-I622 HydrophobicContact CG-CD1 4.18Å; F603-I622 HydrophobicContact CZ-CD1 4.28Å; P620-I622 HydrophobicContact CB-CG1 4.25Å; P620-I622 PolarHBondContact O-N 3.19Å
623	L	95.8	Very high	86.5	Confident	157 Å²	157	84.4 Å²	84.4	82%	0.822	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-72.2	153	175.2	-63.3	177	0	0	0	111.5
624	P	89.5	Confident	86.4	Confident	117 Å²	117	85.2 Å²	85.2	76%	0.76	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-66.5	151.1	171.8	29.5	-35.6	0	0	0	111.6
625	L	87.1	Confident	86.1	Confident	62 Å²	62	87.5 Å²	87.5	33%	0.325	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-102.5	127.6	175	179.8	60.4	0	0	0	110.1	Q441 L444	Q441-L625 HydrophobicContact CB-CD2 3.84Å; Q441-L625 HydrophobicContact CG-CD2 3.85Å; L444-L625 HydrophobicContact CD1-CD1 4.41Å
626	T	83.1	Confident	84.8	Confident	104 Å²	104	93.4 Å²	93.4	64%	0.638	50%	0.502	S	S	*	.			trans	-140.3	134.2	177.6	-56.7	0	0	0	0	109.5
627	H	83.9	Confident	83.4	Confident	86 Å²	86	95.9 Å²	95.9	40%	0.398	51%	0.514	S	S	.	.			trans	-153.1	158.1	173.4	64.7	80.8	0	0	0	110.4	Q441	Q441-H627 PolarHBondContact NE2-NE2 3.37Å
628	G	74.6	Confident	82	Confident	45 Å²	45	97.5 Å²	97.5	46%	0.464	52%	0.52	S	S	.	.			trans	-78.1	172.3	173.8	0	0	0	0	0	113.6
629	P	75.8	Confident	80.7	Confident	85 Å²	85	101.6 Å²	101.6	55%	0.552	54%	0.54	S	S	*	.			trans	-72.2	166.3	169.5	33	-35.7	0	0	0	111.8
630	N	77.9	Confident	79.4	Confident	146 Å²	146	99.9 Å²	99.9	78%	0.781	53%	0.529	S	S	*	.			trans	-132.6	114.6	166.7	-175.3	16.1	0	0	0	108.5
631	H	76.5	Confident	77.2	Confident	124 Å²	124	105.6 Å²	105.6	57%	0.574	55%	0.552	S	S	*	*			trans	-80.5	157.7	-166.3	-62.1	-86.2	0	0	0	113	F633	H631-F633 PolarHBondContact O-N 3.05Å
632	S	75.3	Confident	75	Confident	111 Å²	111	115.1 Å²	115.1	78%	0.776	60%	0.6	S	S	*	*			trans	-71.2	115.7	175.5	52.8	0	0	0	0	111.1
633	F	77.1	Confident	73.8	Confident	132 Å²	132	119.6 Å²	119.6	58%	0.579	62%	0.623	S	S	*	*			trans	-94.7	114.4	176.5	177.2	-116.2	0	0	0	111.7	H631 W635 M638 L639	H631-F633 PolarHBondContact O-N 3.05Å; F633-W635 HydrophobicContact CD1-CB 4.33Å; F633-W635 HydrophobicContact CE1-CB 3.56Å; F633-W635 HydrophobicContact CZ-CB 3.85Å; F633-M638 HydrophobicContact CD2-SD 3.54Å; F633-M638 VanDerWaalsContact CD2-SD 3.54Å; F633-M638 HydrophobicContact CE2-CB 4.04Å; F633-M638 HydrophobicContact CE2-CG 4.38Å; F633-M638 HydrophobicContact CE2-SD 3.72Å; F633-L639 HydrophobicContact CZ-CD1 3.96Å; F633-L639 HydrophobicContact CZ-CG 4.18Å
634	N	76.9	Confident	72.7	Confident	56 Å²	56	117.6 Å²	117.6	30%	0.299	61%	0.613	S	S	.	*			trans	-101.4	96.5	170.1	-171.4	-9.7	0	0	0	110.5	R636 E637 M638	N634-R636 PolarHBondContact O-N 3.25Å; N634-R636 VanDerWaalsContact O-N 3.11Å; N634-R636 PolarHBondContact OD1-N 3.02Å; N634-E637 HydrophobicContact CB-CB 4.28Å; N634-E637 WeakPolarHBondContact CB-OE2 3.46Å; N634-E637 PolarHBondContact ND2-OE1 2.91Å; N634-E637 PolarHBondContact ND2-OE2 3.11Å; N634-E637 PolarHBondContact O-N 3.1Å; N634-M638 WeakPolarHBondContact O-CG 3.47Å; N634-M638 PolarHBondContact O-N 2.8Å
635	W	79.3	Confident	71.8	Confident	121 Å²	121	117.7 Å²	117.7	46%	0.458	61%	0.605	S	S	.	*	H	α-helix	trans	-58.8	-26	-176.9	73.1	-94.5	0	0	0	114.2	F633 L639 M640	F633-W635 HydrophobicContact CD1-CB 4.33Å; F633-W635 HydrophobicContact CE1-CB 3.56Å; F633-W635 HydrophobicContact CZ-CB 3.85Å; W635-L639 HydrophobicContact CB-CD1 4.38Å; W635-L639 VanDerWaalsContact O-CB 3.22Å; W635-L639 WeakPolarHBondContact O-CB 3.45Å; W635-L639 PolarHBondContact O-N 3.22Å; W635-M640 HydrophobicContact CE3-CG 4.45Å; W635-M640 HydrophobicContact CH2-SD 4.41Å; W635-M640 HydrophobicContact CZ3-CE 4.25Å; W635-M640 HydrophobicContact CZ3-CG 4.08Å; W635-M640 HydrophobicContact CZ3-SD 3.73Å
636	R	64.7	Low	70.8	Confident	147 Å²	147	120.9 Å²	120.9	56%	0.555	62%	0.621	S	S	*	*	H	α-helix	trans	-73.6	-47.4	178.7	-67.3	-168.5	-178.1	91.7	-2.5	111.4	N634 M638 M640	N634-R636 PolarHBondContact O-N 3.25Å; N634-R636 VanDerWaalsContact O-N 3.11Å; N634-R636 PolarHBondContact OD1-N 3.02Å; R636-M638 VanDerWaalsContact C-N 3.35Å; R636-M640 HydrophobicContact CG-CE 4.43Å; R636-M640 WeakPolarHBondContact O-CA 3.16Å; R636-M640 WeakPolarHBondContact O-CB 3.36Å; R636-M640 PolarHBondContact O-N 3.42Å; R636-M640 VanDerWaalsContact O-N 3.07Å
637	E	64.3	Low	70.1	Confident	134 Å²	134	122 Å²	122	63%	0.626	62%	0.62	S	S	*	*	H	α-helix	trans	-67.1	-36.3	178.9	-75.5	160.4	-170.4	0	0	111.9	N634	N634-E637 HydrophobicContact CB-CB 4.28Å; N634-E637 WeakPolarHBondContact CB-OE2 3.46Å; N634-E637 PolarHBondContact ND2-OE1 2.91Å; N634-E637 PolarHBondContact ND2-OE2 3.11Å; N634-E637 PolarHBondContact O-N 3.1Å
638	M	65.4	Low	69.2	Low	118 Å²	118	124.4 Å²	124.4	58%	0.581	64%	0.635	S	S	*	*	H	α-helix	trans	-91.6	-23.5	-174.8	-59.3	-171.3	83.3	0	0	115	F633 N634 R636	F633-M638 HydrophobicContact CD2-SD 3.54Å; F633-M638 VanDerWaalsContact CD2-SD 3.54Å; F633-M638 HydrophobicContact CE2-CB 4.04Å; F633-M638 HydrophobicContact CE2-CG 4.38Å; F633-M638 HydrophobicContact CE2-SD 3.72Å; N634-M638 WeakPolarHBondContact O-CG 3.47Å; N634-M638 PolarHBondContact O-N 2.8Å; R636-M638 VanDerWaalsContact C-N 3.35Å
639	L	66.3	Low	68.8	Low	125 Å²	125	130.1 Å²	130.1	65%	0.654	65%	0.647	S	S	*	*	H	α-helix	trans	-120.3	-10.1	-175.5	-52	179.4	0	0	0	114.7	F633 W635	F633-L639 HydrophobicContact CZ-CD1 3.96Å; F633-L639 HydrophobicContact CZ-CG 4.18Å; W635-L639 HydrophobicContact CB-CD1 4.38Å; W635-L639 VanDerWaalsContact O-CB 3.22Å; W635-L639 WeakPolarHBondContact O-CB 3.45Å; W635-L639 PolarHBondContact O-N 3.22Å
640	M	66.3	Low	68.2	Low	118 Å²	118	133.5 Å²	133.5	58%	0.581	66%	0.655	S	S	*	*			trans	-116.8	69.5	174.4	-55.2	-153.1	-43.1	0	0	110.6	W635 R636	W635-M640 HydrophobicContact CE3-CG 4.45Å; W635-M640 HydrophobicContact CH2-SD 4.41Å; W635-M640 HydrophobicContact CZ3-CE 4.25Å; W635-M640 HydrophobicContact CZ3-CG 4.08Å; W635-M640 HydrophobicContact CZ3-SD 3.73Å; R636-M640 HydrophobicContact CG-CE 4.43Å; R636-M640 WeakPolarHBondContact O-CA 3.16Å; R636-M640 WeakPolarHBondContact O-CB 3.36Å; R636-M640 PolarHBondContact O-N 3.42Å; R636-M640 VanDerWaalsContact O-N 3.07Å
641	H	49.7	Very low	67.4	Low	161 Å²	161	132.5 Å²	132.5	75%	0.745	64%	0.644	S	S	*	*			trans	-82.8	112.1	158.8	-73.9	-68.1	0	0	0	108.9
642	D	47.4	Very low	66.6	Low	243 Å²	243	133.3 Å²	133.3	100%	1.299	65%	0.651	S	S	*	*			trans	-95.7	0	158.9	-81.9	-30.8	0	0	0	109.3

Retrieved 642 of 642 residues in 400.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).