A0A2K5VW61_MACFA Loading...

Periostin

Induces cell attachment and spreading and plays a role in cell adhesion. Enhances incorporation of BMP1 in the fibronectin matrix of connective tissues, and subsequent proteolytic activation of lysyl oxidase LOX.

AlphaFold DB , UniProt , Accession A0A2K5VW61, Species MACFA (Macaca fascicularis, Crab-eating macaque), Gene n/a, Length 836 aa.

						>A0A2K5VW61_MACFA|A0A2K5VW61
MIPFLPMFSLLLLLVVNPANANSHYDKILTHSRIRGREQGPNVCALQQILGTKKKYFSTCKNWYKKSICGQKATVLYECCPGYTRMEGMKGCPAVLPIDHVYGTLGIVGATTTQHYSDASKLREEIEGKGSFTYFAPSNEAWDNLDSDIRRGLESNVNVELLNALHSHMINKRMLTKDLKNGMIIPSMYNNLGLFINHYPNGVVTVNCARIIHGNQIATNGVVHVIDRVLTQIGTSIQDFIEAEDDLSSFRAAAITSDILEALGRDGHFTLFAPTNEAFEKLPRGVLERIMGDKVASEALMKYHILNTLQCSESIMGGAVFETLEGNTIEIGCDGDSITVNGIKMVNKKDIVTNNGVIHLIDQVLIPDSAKQVTELAGKQQTTFTDLVAQLGLASALRPDGEYTLLAPVNNAFSDDTLRMDQRLLKLILQNHILKVKVGLNELYNGQILETIGGKQLRVFVYRTAVCVENSCMERGSKQGRNGAIHIFREIIKPAEKSLHEKLKQDKRFSTFLSLLEAADLKELLTQPGDWTLFVPTNDAFKGMTSEEKEILIRDKNALQNIILYHLTPGVFIGKGFEPGVTNILKTTQGSKIFLKEVNDTLLVNELKSKESDIMTTNGVIHVVDKLLYPADAPVGNDQLLEILNKLIKYIQIKFVRGSTFKEIPVTVYTTKIITKVVEPKIKVIEGSLQPIIKTEGPTITKVKIEGEPEFRLIKEGETITEVIHGEPIIKKYTKIIDGVPVEITEKETREERIITGPEIKYTRISTGGGDTEETLKKLFQEEVTKVTKFIEGGDGHLLEDEEIKRLLQGDTPVRKLQANKKFQGSRRRSREGRSQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	29.7	Very low	36.1	Very low	240 Å²	240	162.7 Å²	162.7	100%	1.182	85%	0.85	S	S	*	*				0	130	0	-75.4	179.8	-64.9	0	0	107.7
2	I	43.9	Very low	35.8	Very low	166 Å²	166	163.9 Å²	163.9	85%	0.851	86%	0.857	S	S	*	*			trans	-25.7	137.6	177.1	-52.9	169.8	0	0	0	112.2
3	P	51.1	Low	35.2	Very low	100 Å²	100	164.7 Å²	164.7	65%	0.649	86%	0.861	S	S	*	*				-159.9	173.7	64.2	42.1	-18.9	0	0	0	121.4
4	F	30.6	Very low	35	Very low	194 Å²	194	164.5 Å²	164.5	85%	0.851	86%	0.86	S	S	*	*			trans	92.7	119.1	153.7	-79.4	-77.1	0	0	0	123.3
5	L	32.6	Very low	35.2	Very low	150 Å²	150	162.3 Å²	162.3	79%	0.785	86%	0.856	S	S	*	*			trans	-37.4	172.9	168.7	-94.8	95.7	0	0	0	119.3
6	P	38	Very low	34.9	Very low	115 Å²	115	159.4 Å²	159.4	75%	0.747	85%	0.846	S	S	*	*			cis	-140.4	171	23.1	31.1	-7.2	0	0	0	118.9	F8	P6-F8 PolarHBondContact O-N 3.2Å
7	M	40.1	Very low	34.5	Very low	171 Å²	171	160 Å²	160	84%	0.842	85%	0.85	S	S	*	*			trans	-37.8	123.5	157.3	-81	-148.1	-78.5	0	0	113.8
8	F	33.8	Very low	34.7	Very low	201 Å²	201	156.8 Å²	156.8	88%	0.882	84%	0.84	S	S	*	*				173.8	147.1	129.1	-120.4	-104.9	0	0	0	108.7	P6	P6-F8 PolarHBondContact O-N 3.2Å
9	S	32.4	Very low	34.8	Very low	110 Å²	110	153.7 Å²	153.7	77%	0.769	84%	0.838	S	S	*	*			trans	97.9	71.7	173.5	-49.5	0	0	0	0	116.6
10	L	33.5	Very low	35	Very low	170 Å²	170	153.3 Å²	153.3	89%	0.89	84%	0.835	S	S	*	*			trans	-153.6	67.9	140.2	-146.4	79.7	0	0	0	111.3
11	L	31.7	Very low	35.3	Very low	173 Å²	173	151.2 Å²	151.2	91%	0.906	84%	0.838	S	S	*	*			trans	-160.3	66.1	157.5	-141.9	80.1	0	0	0	111
12	L	32.2	Very low	36.8	Very low	177 Å²	177	143.4 Å²	143.4	93%	0.927	80%	0.802	S	S	*	*			trans	-129.5	73.5	165.5	-143.4	105.9	0	0	0	108.7
13	L	27.8	Very low	38.5	Very low	174 Å²	174	136.4 Å²	136.4	91%	0.911	77%	0.767	S	S	*	*			trans	-138.4	74.6	166.1	-99.9	158.8	0	0	0	107.6
14	L	33	Very low	40.1	Very low	162 Å²	162	135.5 Å²	135.5	85%	0.848	75%	0.754	S	S	*	*			trans	-122.7	145.2	155.1	-100.7	162.6	0	0	0	106.3
15	V	38.3	Very low	42.7	Very low	131 Å²	131	126.8 Å²	126.8	79%	0.794	72%	0.715	S	S	*	*			trans	78.6	102.7	178.2	-155.2	0	0	0	0	110.9
16	V	30.2	Very low	45.1	Very low	117 Å²	117	121.2 Å²	121.2	71%	0.709	69%	0.686	S	S	*	*				-153.8	123.2	59.6	175.6	0	0	0	0	107.6	P18	V16-P18 HydrophobicContact CG1-CB 4.46Å; V16-P18 HydrophobicContact CG1-CG 4.47Å
17	N	27.9	Very low	47.4	Very low	169 Å²	169	120.8 Å²	120.8	90%	0.904	67%	0.673	S	S	*	*			trans	-104.1	104.9	162	-133.1	2.5	0	0	0	106.4
18	P	37.9	Very low	49.6	Very low	103 Å²	103	113.3 Å²	113.3	67%	0.669	64%	0.636	S	S	*	*			trans	-84.7	144.4	174.1	32.5	-25.4	0	0	0	109.5	V16	V16-P18 HydrophobicContact CG1-CB 4.46Å; V16-P18 HydrophobicContact CG1-CG 4.47Å
19	A	36.1	Very low	52.1	Low	97 Å²	97	104.4 Å²	104.4	80%	0.802	60%	0.598	S	S	*	*			trans	86.1	74.3	171.3	0	0	0	0	0	118.5
20	N	39.6	Very low	54.7	Low	145 Å²	145	102.3 Å²	102.3	78%	0.775	58%	0.58	S	S	*	*			trans	-117.9	123.5	135	-103.2	9.3	0	0	0	106.8	N22	N20-N22 PolarHBondContact O-N 3.36Å
21	A	40.3	Very low	57.3	Low	110 Å²	110	98.5 Å²	98.5	91%	0.909	56%	0.558	S	S	*	*			trans	-67.8	84.8	175.4	0	0	0	0	0	109.3	S23	A21-S23 PolarHBondContact O-N 3.31Å
22	N	61.9	Low	60	Low	77 Å²	77	90.2 Å²	90.2	41%	0.412	52%	0.515	S	S	.	.			trans	-64.1	127.5	179.7	-74.7	-10.1	0	0	0	109.8	N20 D26 K27	N20-N22 PolarHBondContact O-N 3.36Å; N22-D26 HydrophobicContact CB-CB 4.27Å; N22-K27 HydrophobicContact CB-CG 4.03Å; N22-K27 VanDerWaalsContact O-CE 3.23Å; N22-K27 WeakPolarHBondContact O-CE 3.48Å
23	S	79.3	Confident	62.7	Low	18 Å²	18	86.3 Å²	86.3	13%	0.126	49%	0.488	C	S	.	.			trans	-57.8	159.5	175.5	70	0	0	0	0	111.2	A21 Y25 D26 K27	A21-S23 PolarHBondContact O-N 3.31Å; S23-Y25 PolarHBondContact O-N 3.06Å; S23-D26 PolarHBondContact N-OD2 3.33Å; S23-D26 PolarHBondContact O-N 3.49Å; S23-D26 VanDerWaalsContact O-N 3.16Å; S23-D26 PolarHBondContact OG-N 3.49Å; S23-D26 VanDerWaalsContact OG-N 3.12Å; S23-D26 PolarHBondContact OG-OD2 3.14Å; S23-K27 WeakPolarHBondContact O-CG 3.23Å; S23-K27 PolarHBondContact O-N 3.3Å; S23-K27 VanDerWaalsContact O-N 3.08Å
24	H	84.7	Confident	65.7	Low	81 Å²	81	83.3 Å²	83.3	38%	0.375	47%	0.471	S	S	.	.	H	α-helix	trans	-58.9	-34.9	176.6	-74.1	-90.2	0	0	0	111.3	I28 H198 P200	H24-I28 WeakPolarHBondContact O-CG1 3.36Å; H24-I28 PolarHBondContact O-N 3.44Å; H24-H198 VanDerWaalsContact CB-CE1 3.45Å; H24-H198 WeakPolarHBondContact CB-CE1 3.2Å; H24-P200 PolarHBondContact ND1-O 3.5Å
25	Y	84.9	Confident	68.4	Low	11 Å²	11	77.6 Å²	77.6	4%	0.043	44%	0.438	C	S	.	.	H	α-helix	trans	-61.8	-50.1	174.2	-179.4	-91.5	0	0	0	111.6	S23 K27 I28 L29 T176 H198 G202 V204	S23-Y25 PolarHBondContact O-N 3.06Å; Y25-K27 VanDerWaalsContact C-N 3.32Å; Y25-K27 PolarHBondContact O-N 2.96Å; Y25-I28 PolarHBondContact O-N 3.27Å; Y25-I28 VanDerWaalsContact O-N 3.14Å; Y25-L29 HydrophobicContact CE1-CD2 4.02Å; Y25-L29 WeakPolarHBondContact O-CB 3.4Å; Y25-L29 PolarHBondContact O-N 2.9Å; Y25-T176 HydrophobicContact CD1-CG2 4.3Å; Y25-T176 WeakPolarHBondContact CD1-OG1 3.42Å; Y25-T176 HydrophobicContact CE1-CG2 4.27Å; Y25-H198 PolarHBondContact N-CE1 3.29Å; Y25-H198 VanDerWaalsContact N-CE1 3.29Å; Y25-H198 PolarHBondContact N-NE2 2.84Å; Y25-G202 WeakPolarHBondContact CD2-O 3.16Å; Y25-V204 HydrophobicContact CD2-CG2 4.35Å
26	D	84.1	Confident	70.8	Confident	33 Å²	33	71.4 Å²	71.4	18%	0.176	40%	0.401	C	S	.	.	H	α-helix	trans	-63.4	-38.1	-177.5	-63.5	-36.9	0	0	0	112.3	N22 S23 T30	N22-D26 HydrophobicContact CB-CB 4.27Å; S23-D26 PolarHBondContact N-OD2 3.33Å; S23-D26 PolarHBondContact O-N 3.49Å; S23-D26 VanDerWaalsContact O-N 3.16Å; S23-D26 PolarHBondContact OG-N 3.49Å; S23-D26 VanDerWaalsContact OG-N 3.12Å; S23-D26 PolarHBondContact OG-OD2 3.14Å; D26-T30 WeakPolarHBondContact O-CB 3.12Å; D26-T30 PolarHBondContact O-N 3.32Å; D26-T30 PolarHBondContact O-OG1 3.13Å
27	K	85.5	Confident	73.7	Confident	106 Å²	106	75.5 Å²	75.5	46%	0.461	40%	0.404	S	S	.	.	H	α-helix	trans	-59.1	-48.9	174.5	-72.1	174.2	179.6	168.8	0	110.5	N22 S23 Y25 T30 H31	N22-K27 HydrophobicContact CB-CG 4.03Å; N22-K27 VanDerWaalsContact O-CE 3.23Å; N22-K27 WeakPolarHBondContact O-CE 3.48Å; S23-K27 WeakPolarHBondContact O-CG 3.23Å; S23-K27 PolarHBondContact O-N 3.3Å; S23-K27 VanDerWaalsContact O-N 3.08Å; Y25-K27 VanDerWaalsContact C-N 3.32Å; Y25-K27 PolarHBondContact O-N 2.96Å; K27-T30 WeakPolarHBondContact O-CB 3.49Å; K27-T30 PolarHBondContact O-N 2.97Å; K27-H31 PolarHBondContact O-CD2 3.19Å; K27-H31 PolarHBondContact O-N 3Å; K27-H31 VanDerWaalsContact O-N 3.08Å
28	I	86.6	Confident	76.6	Confident	14 Å²	14	76.4 Å²	76.4	7%	0.072	40%	0.402	C	S	.	.	H	α-helix	trans	-70.6	-38.9	-176.9	-67.1	178.4	0	0	0	111.7	H24 Y25 T30 H31 S32 F57 T59 N201	H24-I28 WeakPolarHBondContact O-CG1 3.36Å; H24-I28 PolarHBondContact O-N 3.44Å; Y25-I28 PolarHBondContact O-N 3.27Å; Y25-I28 VanDerWaalsContact O-N 3.14Å; I28-T30 VanDerWaalsContact C-N 3.29Å; I28-T30 PolarHBondContact O-N 3.01Å; I28-H31 PolarHBondContact O-N 3.16Å; I28-S32 PolarHBondContact O-N 3.46Å; I28-F57 HydrophobicContact CG2-CB 3.85Å; I28-F57 WeakPolarHBondContact CG2-O 3.45Å; I28-T59 HydrophobicContact CD1-CG2 3.64Å; I28-T59 HydrophobicContact CG1-CG2 4.48Å; I28-N201 WeakPolarHBondContact CD1-O 3.43Å
29	L	86.4	Confident	79.2	Confident	14 Å²	14	75.9 Å²	75.9	7%	0.073	39%	0.391	C	S	.	.	H	α-helix	trans	-60.9	-40.1	173.5	-174.9	63.7	0	0	0	111.5	Y25 S32 R33 C44 F57	Y25-L29 HydrophobicContact CE1-CD2 4.02Å; Y25-L29 WeakPolarHBondContact O-CB 3.4Å; Y25-L29 PolarHBondContact O-N 2.9Å; L29-S32 WeakPolarHBondContact O-CB 3.27Å; L29-S32 PolarHBondContact O-N 2.96Å; L29-R33 PolarHBondContact O-N 2.89Å; L29-C44 VanDerWaalsContact CD1-SG 3.6Å; L29-F57 HydrophobicContact CD1-CD1 4.06Å; L29-F57 HydrophobicContact CD1-CE1 3.66Å; L29-F57 HydrophobicContact CD1-CZ 4Å
30	T	86.9	Confident	81.8	Confident	66 Å²	66	71.9 Å²	71.9	41%	0.405	36%	0.359	S	S	.	.	H	α-helix	trans	-61.8	-45.1	175.2	-57.7	0	0	0	0	111.4	D26 K27 I28 S32 R33 I34	D26-T30 WeakPolarHBondContact O-CB 3.12Å; D26-T30 PolarHBondContact O-N 3.32Å; D26-T30 PolarHBondContact O-OG1 3.13Å; K27-T30 WeakPolarHBondContact O-CB 3.49Å; K27-T30 PolarHBondContact O-N 2.97Å; I28-T30 VanDerWaalsContact C-N 3.29Å; I28-T30 PolarHBondContact O-N 3.01Å; T30-S32 VanDerWaalsContact C-N 3.33Å; T30-S32 PolarHBondContact O-N 2.79Å; T30-R33 WeakPolarHBondContact O-CB 3.49Å; T30-R33 PolarHBondContact O-N 2.91Å; T30-I34 HydrophobicContact CG2-CD1 4.36Å; T30-I34 WeakPolarHBondContact O-CG1 3.4Å; T30-I34 PolarHBondContact O-N 3.07Å; T30-I34 VanDerWaalsContact O-N 3.07Å
31	H	88.3	Confident	84.2	Confident	90 Å²	90	68.1 Å²	68.1	42%	0.417	34%	0.343	S	S	.	.	H	α-helix	trans	-62.9	-38.4	174	-76.9	-72	0	0	0	112.6	K27 I28 I34 R35	K27-H31 PolarHBondContact O-CD2 3.19Å; K27-H31 PolarHBondContact O-N 3Å; K27-H31 VanDerWaalsContact O-N 3.08Å; I28-H31 PolarHBondContact O-N 3.16Å; H31-I34 PolarHBondContact O-N 2.51Å; H31-R35 WeakPolarHBondContact O-CG 3.48Å; H31-R35 PolarHBondContact O-N 2.78Å; H31-R35 VanDerWaalsContact O-N 3.12Å
32	S	88.4	Confident	86.6	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.9	-42	175.3	177.2	0	0	0	0	112.1	I28 L29 T30 R35 G36 C44 A45	I28-S32 PolarHBondContact O-N 3.46Å; L29-S32 WeakPolarHBondContact O-CB 3.27Å; L29-S32 PolarHBondContact O-N 2.96Å; T30-S32 VanDerWaalsContact C-N 3.33Å; T30-S32 PolarHBondContact O-N 2.79Å; S32-R35 PolarHBondContact O-N 2.69Å; S32-G36 PolarHBondContact O-N 2.88Å; S32-C44 WeakPolarHBondContact OG-CB 3.5Å; S32-A45 PolarHBondContact O-N 2.89Å; S32-A45 PolarHBondContact OG-N 3.37Å; S32-A45 PolarHBondContact OG-O 3.41Å
33	R	89.3	Confident	88	Confident	95 Å²	95	61.9 Å²	61.9	36%	0.358	30%	0.295	S	S	.	.	H	α-helix	trans	-60.1	-44.1	173.2	-77.2	174.8	179.3	-179.9	0.2	112.6	L29 T30 R35 G36 R37 C80	L29-R33 PolarHBondContact O-N 2.89Å; T30-R33 WeakPolarHBondContact O-CB 3.49Å; T30-R33 PolarHBondContact O-N 2.91Å; R33-R35 VanDerWaalsContact C-N 3.28Å; R33-R35 PolarHBondContact O-N 2.96Å; R33-G36 PolarHBondContact O-N 3.12Å; R33-R37 PolarHBondContact O-N 3.46Å; R33-R37 VanDerWaalsContact O-N 3.09Å; R33-C80 WeakPolarHBondContact CG-SG 3.41Å
34	I	89.3	Confident	88.5	Confident	111 Å²	111	61 Å²	61	57%	0.569	29%	0.289	S	S	*	.	H	α-helix	trans	-59.5	-42.5	178	-68	166.2	0	0	0	110.5	T30 H31 G36 R37	T30-I34 HydrophobicContact CG2-CD1 4.36Å; T30-I34 WeakPolarHBondContact O-CG1 3.4Å; T30-I34 PolarHBondContact O-N 3.07Å; T30-I34 VanDerWaalsContact O-N 3.07Å; H31-I34 PolarHBondContact O-N 2.51Å; I34-G36 VanDerWaalsContact C-N 3.35Å; I34-R37 WeakPolarHBondContact O-CB 3.42Å; I34-R37 PolarHBondContact O-N 3.27Å
35	R	90.6	Very high	88.8	Confident	42 Å²	42	57.2 Å²	57.2	16%	0.158	27%	0.271	C	S	.	.	H	α-helix	trans	-69.1	-30.1	177.7	-65	168.6	-166.4	154.1	7.2	113.4	H31 S32 R33 A45 S58 C60 W63	H31-R35 WeakPolarHBondContact O-CG 3.48Å; H31-R35 PolarHBondContact O-N 2.78Å; H31-R35 VanDerWaalsContact O-N 3.12Å; S32-R35 PolarHBondContact O-N 2.69Å; R33-R35 VanDerWaalsContact C-N 3.28Å; R33-R35 PolarHBondContact O-N 2.96Å; R35-A45 HydrophobicContact CB-CB 3.71Å; R35-S58 PolarHBondContact NH1-O 3.28Å; R35-S58 PolarHBondContact NH2-O 2.8Å; R35-C60 VanDerWaalsContact NH2-CA 3.3Å; R35-C60 PolarHBondContact NH2-SG 3.02Å; R35-W63 VanDerWaalsContact NH1-CE3 3.33Å
36	G	89	Confident	89	Confident	0 Å²	0	57 Å²	57	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-83.2	-10.1	178.2	0	0	0	0	0	114.5	S32 R33 I34 E38 Q39	S32-G36 PolarHBondContact O-N 2.88Å; R33-G36 PolarHBondContact O-N 3.12Å; I34-G36 VanDerWaalsContact C-N 3.35Å; G36-E38 PolarHBondContact O-N 3.29Å; G36-E38 VanDerWaalsContact O-N 3.1Å; G36-Q39 WeakPolarHBondContact O-CB 3.44Å; G36-Q39 PolarHBondContact O-N 3.39Å
37	R	90.7	Very high	89.1	Confident	204 Å²	204	55.4 Å²	55.4	77%	0.77	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-55.5	-34.2	-169.4	-172.7	179.7	179.3	-175.3	0.1	114.4	R33 I34 Q39 G40	R33-R37 PolarHBondContact O-N 3.46Å; R33-R37 VanDerWaalsContact O-N 3.09Å; I34-R37 WeakPolarHBondContact O-CB 3.42Å; I34-R37 PolarHBondContact O-N 3.27Å; R37-Q39 VanDerWaalsContact C-N 3.27Å; R37-Q39 PolarHBondContact O-N 2.85Å; R37-G40 PolarHBondContact O-N 3.05Å
38	E	90.1	Very high	89.3	Confident	187 Å²	187	52.6 Å²	52.6	87%	0.874	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-69	-24.6	179.3	-65.3	-175.1	171.1	0	0	113.3	G36 G40	G36-E38 PolarHBondContact O-N 3.29Å; G36-E38 VanDerWaalsContact O-N 3.1Å; E38-G40 VanDerWaalsContact C-N 3.29Å
39	Q	91.6	Very high	89.3	Confident	92 Å²	92	52 Å²	52	43%	0.43	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-79.9	-13.2	178.1	-59	-61	-35.9	0	0	112.6	G36 R37 V43 Y77 G91	G36-Q39 WeakPolarHBondContact O-CB 3.44Å; G36-Q39 PolarHBondContact O-N 3.39Å; R37-Q39 VanDerWaalsContact C-N 3.27Å; R37-Q39 PolarHBondContact O-N 2.85Å; Q39-V43 HydrophobicContact CB-CB 4.2Å; Q39-V43 HydrophobicContact CB-CG1 3.86Å; Q39-V43 HydrophobicContact CB-CG2 4.19Å; Q39-Y77 HydrophobicContact CG-CD1 3.62Å; Q39-Y77 HydrophobicContact CG-CD2 4Å; Q39-Y77 HydrophobicContact CG-CE1 3.89Å; Q39-Y77 HydrophobicContact CG-CE2 4.26Å; Q39-Y77 HydrophobicContact CG-CG 3.67Å; Q39-G91 PolarHBondContact O-N 2.95Å
40	G	90.6	Very high	89.3	Confident	14 Å²	14	56.3 Å²	56.3	14%	0.144	27%	0.27	C	S	.	.			trans	130.3	180	177.3	0	0	0	0	0	113.6	R37 E38	R37-G40 PolarHBondContact O-N 3.05Å; E38-G40 VanDerWaalsContact C-N 3.29Å
41	P	90.8	Very high	89	Confident	66 Å²	66	57.1 Å²	57.1	43%	0.429	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	143.3	-179.5	27.3	-35.7	0	0	0	111.7	V43 K90 C92 P93	P41-V43 PolarHBondContact O-N 3.44Å; P41-V43 VanDerWaalsContact O-N 3.08Å; P41-K90 WeakPolarHBondContact CD-O 3.39Å; P41-C92 CarbonylContact O-C 3.42Å; P41-C92 WeakPolarHBondContact O-CA 3.35Å; P41-C92 PolarHBondContact O-N 3.18Å; P41-P93 HydrophobicContact CG-CB 4.2Å
42	N	89.4	Confident	88.8	Confident	49 Å²	49	54.3 Å²	54.3	26%	0.262	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	28.4	175.8	-42.3	-57	0	0	0	115.5	C80 Y83 C92	N42-C80 WeakPolarHBondContact O-CB 3.47Å; N42-C80 PolarHBondContact O-N 2.7Å; N42-C80 PolarHBondContact O-SG 2.86Å; N42-Y83 HydrophobicContact CB-CD1 3.51Å; N42-Y83 HydrophobicContact CB-CD2 3.82Å; N42-Y83 HydrophobicContact CB-CE1 3.91Å; N42-Y83 HydrophobicContact CB-CE2 4.2Å; N42-Y83 HydrophobicContact CB-CG 3.45Å; N42-Y83 VanDerWaalsContact CB-CG 3.45Å; N42-Y83 WeakPolarHBondContact ND2-CD1 3.49Å; N42-Y83 WeakPolarHBondContact ND2-CE1 3.42Å; N42-C92 HydrophobicContact CB-CB 4.3Å; N42-C92 WeakPolarHBondContact CB-O 3.46Å; N42-C92 PolarHBondContact ND2-O 3.34Å
43	V	91.5	Very high	88.5	Confident	7 Å²	7	62.3 Å²	62.3	4%	0.042	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	134.6	169.8	-178	0	0	0	0	109.4	Q39 P41 Y77 G91	Q39-V43 HydrophobicContact CB-CB 4.2Å; Q39-V43 HydrophobicContact CB-CG1 3.86Å; Q39-V43 HydrophobicContact CB-CG2 4.19Å; P41-V43 PolarHBondContact O-N 3.44Å; P41-V43 VanDerWaalsContact O-N 3.08Å; V43-Y77 HydrophobicContact CG1-CD1 4.17Å; V43-Y77 HydrophobicContact CG1-CG 4.49Å; V43-G91 VanDerWaalsContact CG2-CA 3.47Å
44	C	90	Very high	88.2	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	141	175.6	-84.9	0	0	0	0	109.8	L29 S32 L46 F57 Y77 E78 C80	L29-C44 VanDerWaalsContact CD1-SG 3.6Å; S32-C44 WeakPolarHBondContact OG-CB 3.5Å; C44-L46 HydrophobicContact CB-CD1 4.34Å; C44-F57 HydrophobicContact CB-CE1 3.94Å; C44-Y77 WeakPolarHBondContact O-CA 3.16Å; C44-E78 PolarHBondContact N-O 3.07Å; C44-E78 PolarHBondContact O-N 3.4Å; C44-E78 VanDerWaalsContact O-N 3.09Å; C44-C80 VanDerWaalsContact CA-SG 3.53Å; C44-C80 HydrophobicContact CB-CB 4.07Å; C44-C80 WeakPolarHBondContact CB-SG 3.34Å; C44-C80 PolarHBondContact N-SG 3.04Å; C44-C80 WeakPolarHBondContact SG-CA 3.46Å; C44-C80 WeakPolarHBondContact SG-CB 3.46Å; C44-C80 CovalentContact SG-SG 2.04Å; C44-C80 PolarHBondContact SG-SG 2.91Å
45	A	90.5	Very high	88	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	119.7	175.4	0	0	0	0	0	109.9	S32 R35 W63 Y77	S32-A45 PolarHBondContact O-N 2.89Å; S32-A45 PolarHBondContact OG-N 3.37Å; S32-A45 PolarHBondContact OG-O 3.41Å; R35-A45 HydrophobicContact CB-CB 3.71Å; A45-W63 HydrophobicContact CB-CH2 3.45Å; A45-W63 VanDerWaalsContact CB-CH2 3.45Å; A45-W63 HydrophobicContact CB-CZ2 4.26Å; A45-W63 HydrophobicContact CB-CZ3 3.98Å; A45-Y77 HydrophobicContact CB-CD1 3.9Å; A45-Y77 HydrophobicContact CB-CE1 3.69Å
46	L	88.8	Confident	87.6	Confident	6 Å²	6	56 Å²	56	3%	0.031	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	155.8	178.5	-59.7	96	0	0	0	110	C44 K55 F57 V75 L76 E78	C44-L46 HydrophobicContact CB-CD1 4.34Å; L46-K55 HydrophobicContact CD2-CB 4.21Å; L46-F57 HydrophobicContact CD1-CE1 4.31Å; L46-F57 HydrophobicContact CD2-CD1 4.29Å; L46-F57 HydrophobicContact CD2-CD2 4.5Å; L46-F57 HydrophobicContact CD2-CE1 3.89Å; L46-F57 HydrophobicContact CD2-CE2 4.1Å; L46-F57 HydrophobicContact CD2-CZ 3.77Å; L46-F57 HydrophobicContact CG-CD1 4.15Å; L46-F57 HydrophobicContact CG-CE1 3.86Å; L46-F57 HydrophobicContact CG-CZ 4.26Å; L46-V75 WeakPolarHBondContact O-CA 3.41Å; L46-L76 PolarHBondContact N-O 3.44Å; L46-L76 PolarHBondContact O-N 2.95Å; L46-E78 HydrophobicContact CD1-CB 3.9Å; L46-E78 HydrophobicContact CD1-CG 4.26Å
47	Q	87.9	Confident	87.2	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	127.9	168.3	-78.3	-174.6	-58	0	0	109.6	K55 Y56 S58 W63 I68 A73 T74	Q47-K55 CarbonylContact O-C 3.38Å; Q47-K55 WeakPolarHBondContact O-CA 3.39Å; Q47-Y56 PolarHBondContact N-O 3.39Å; Q47-Y56 PolarHBondContact O-N 3.45Å; Q47-S58 PolarHBondContact OE1-OG 3.01Å; Q47-W63 HydrophobicContact CG-CE3 3.73Å; Q47-W63 HydrophobicContact CG-CZ3 3.71Å; Q47-W63 PolarHBondContact NE2-O 3.47Å; Q47-I68 HydrophobicContact CB-CD1 3.69Å; Q47-A73 HydrophobicContact CB-CB 4.09Å; Q47-A73 HydrophobicContact CG-CB 4.39Å; Q47-T74 WeakPolarHBondContact CA-O 3.3Å
48	Q	88.4	Confident	86.5	Confident	46 Å²	46	47.8 Å²	47.8	22%	0.215	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	131.3	173.2	-177.5	176.4	-6.7	0	0	109.4	L50 T52 K54 K55 A73 T74	Q48-L50 PolarHBondContact O-N 3.09Å; Q48-T52 PolarHBondContact NE2-O 3.49Å; Q48-K54 WeakPolarHBondContact CA-O 3.24Å; Q48-K55 HydrophobicContact CB-CG 4.38Å; Q48-K55 HydrophobicContact CG-CG 4.38Å; Q48-A73 CarbonylContact O-C 2.93Å; Q48-A73 WeakPolarHBondContact O-CA 3.42Å; Q48-T74 PolarHBondContact N-O 3.25Å; Q48-T74 PolarHBondContact O-N 3.38Å; Q48-T74 PolarHBondContact O-OG1 2.84Å
49	I	87.9	Confident	85.8	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.01	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	126.8	176.3	-60.4	171.5	0	0	0	108.8	G51 T52 K54 Y56 I68 Q71	I49-G51 PolarHBondContact O-N 2.91Å; I49-T52 HydrophobicContact CB-CG2 4.29Å; I49-T52 WeakPolarHBondContact CB-OG1 3.13Å; I49-T52 HydrophobicContact CG2-CG2 3.99Å; I49-T52 PolarHBondContact O-N 2.93Å; I49-T52 PolarHBondContact O-OG1 3.43Å; I49-K54 PolarHBondContact N-O 3.19Å; I49-Y56 HydrophobicContact CD1-CD2 4.47Å; I49-Y56 HydrophobicContact CD1-CE2 3.74Å; I49-Y56 HydrophobicContact CG1-CE2 4.27Å; I49-I68 HydrophobicContact CD1-CB 4.12Å; I49-I68 HydrophobicContact CD1-CG2 3.76Å; I49-I68 HydrophobicContact CG1-CB 3.9Å; I49-I68 HydrophobicContact CG1-CG2 4.08Å; I49-Q71 HydrophobicContact CG2-CB 3.51Å; I49-Q71 HydrophobicContact CG2-CG 4.15Å
50	L	85.8	Confident	85	Confident	104 Å²	104	38.3 Å²	38.3	55%	0.545	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	132.2	-178.9	-168.2	71.7	0	0	0	110.6	Q48 T52 K72 T74	Q48-L50 PolarHBondContact O-N 3.09Å; L50-T52 VanDerWaalsContact C-N 3.29Å; L50-T52 PolarHBondContact O-N 3.31Å; L50-K72 WeakPolarHBondContact CB-O 3.37Å; L50-K72 PolarHBondContact N-O 3.13Å; L50-T74 HydrophobicContact CD1-CG2 4.15Å
51	G	81.3	Confident	84.2	Confident	84 Å²	84	45 Å²	45	87%	0.866	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.5	-3.5	-176.9	0	0	0	0	0	114.9	I49	I49-G51 PolarHBondContact O-N 2.91Å
52	T	83.3	Confident	83.3	Confident	31 Å²	31	42.9 Å²	42.9	19%	0.19	23%	0.231	C	C	.	.	S	Bend	trans	-123.3	167.5	176.4	81.4	0	0	0	0	111.4	Q48 I49 L50 K54	Q48-T52 PolarHBondContact NE2-O 3.49Å; I49-T52 HydrophobicContact CB-CG2 4.29Å; I49-T52 WeakPolarHBondContact CB-OG1 3.13Å; I49-T52 HydrophobicContact CG2-CG2 3.99Å; I49-T52 PolarHBondContact O-N 2.93Å; I49-T52 PolarHBondContact O-OG1 3.43Å; L50-T52 VanDerWaalsContact C-N 3.29Å; L50-T52 PolarHBondContact O-N 3.31Å; T52-K54 PolarHBondContact OG1-N 3.18Å; T52-K54 VanDerWaalsContact OG1-N 3.15Å
53	K	81.6	Confident	82.8	Confident	167 Å²	167	42.2 Å²	42.2	73%	0.726	22%	0.224	S	C	*	.			trans	-91.9	2.7	169.1	-65.4	-177.4	179.6	179.1	0	113.3	K55	K53-K55 PolarHBondContact O-N 3.45Å
54	K	83.3	Confident	82.1	Confident	45 Å²	45	50.6 Å²	50.6	20%	0.196	26%	0.257	C	S	.	.			trans	-75.3	123.9	-175	-66.9	-173.5	171.6	-174.6	0	111.1	Q48 I49 T52 Y56 E313 D336	Q48-K54 WeakPolarHBondContact CA-O 3.24Å; I49-K54 PolarHBondContact N-O 3.19Å; T52-K54 PolarHBondContact OG1-N 3.18Å; T52-K54 VanDerWaalsContact OG1-N 3.15Å; K54-Y56 HydrophobicContact CB-CE2 3.77Å; K54-E313 IonicContact NZ-OE1 2.92Å; K54-E313 PolarHBondContact NZ-OE1 3.44Å; K54-D336 WeakPolarHBondContact CD-OD1 3.3Å; K54-D336 WeakPolarHBondContact CE-OD1 3.26Å; K54-D336 IonicContact NZ-OD1 3.33Å; K54-D336 PolarHBondContact NZ-OD1 3.38Å
55	K	84.4	Confident	81.5	Confident	58 Å²	58	56.4 Å²	56.4	25%	0.252	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	139.1	-178.7	-58	176	-171.7	177	0	110	L46 Q47 Q48 K53 L76 E78	L46-K55 HydrophobicContact CD2-CB 4.21Å; Q47-K55 CarbonylContact O-C 3.38Å; Q47-K55 WeakPolarHBondContact O-CA 3.39Å; Q48-K55 HydrophobicContact CB-CG 4.38Å; Q48-K55 HydrophobicContact CG-CG 4.38Å; K53-K55 PolarHBondContact O-N 3.45Å; K55-L76 HydrophobicContact CD-CD2 4.23Å; K55-E78 IonicContact NZ-OE1 3.16Å; K55-E78 PolarHBondContact NZ-OE1 3.46Å; K55-E78 IonicContact NZ-OE2 2.71Å; K55-E78 PolarHBondContact NZ-OE2 3.47Å
56	Y	83.3	Confident	81	Confident	14 Å²	14	63.9 Å²	63.9	6%	0.055	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	137.8	-179.1	-61.7	-88.6	0	0	0	112.2	Q47 I49 K54 S58 I68 E313 M316	Q47-Y56 PolarHBondContact N-O 3.39Å; Q47-Y56 PolarHBondContact O-N 3.45Å; I49-Y56 HydrophobicContact CD1-CD2 4.47Å; I49-Y56 HydrophobicContact CD1-CE2 3.74Å; I49-Y56 HydrophobicContact CG1-CE2 4.27Å; K54-Y56 HydrophobicContact CB-CE2 3.77Å; Y56-S58 PolarHBondContact O-N 3.07Å; Y56-I68 HydrophobicContact CD2-CD1 3.98Å; Y56-I68 HydrophobicContact CD2-CG2 4.47Å; Y56-I68 HydrophobicContact CE2-CG2 4.46Å; Y56-I68 HydrophobicContact CG-CD1 4.37Å; Y56-E313 PolarHBondContact OH-OE2 3.46Å; Y56-E313 VanDerWaalsContact OH-OE2 3.06Å; Y56-M316 HydrophobicContact CD1-CE 3.62Å; Y56-M316 HydrophobicContact CD1-CG 4.5Å; Y56-M316 HydrophobicContact CD1-SD 4.1Å; Y56-M316 HydrophobicContact CD2-CE 4.29Å; Y56-M316 HydrophobicContact CE1-CE 4.43Å; Y56-M316 HydrophobicContact CG-CE 3.54Å
57	F	80.9	Confident	80.9	Confident	30 Å²	30	65.6 Å²	65.6	13%	0.132	33%	0.327	C	S	.	.			trans	-76.7	102.2	156.8	-63.2	-77.1	0	0	0	107.7	I28 L29 C44 L46 P81	I28-F57 HydrophobicContact CG2-CB 3.85Å; I28-F57 WeakPolarHBondContact CG2-O 3.45Å; L29-F57 HydrophobicContact CD1-CD1 4.06Å; L29-F57 HydrophobicContact CD1-CE1 3.66Å; L29-F57 HydrophobicContact CD1-CZ 4Å; C44-F57 HydrophobicContact CB-CE1 3.94Å; L46-F57 HydrophobicContact CD1-CE1 4.31Å; L46-F57 HydrophobicContact CD2-CD1 4.29Å; L46-F57 HydrophobicContact CD2-CD2 4.5Å; L46-F57 HydrophobicContact CD2-CE1 3.89Å; L46-F57 HydrophobicContact CD2-CE2 4.1Å; L46-F57 HydrophobicContact CD2-CZ 3.77Å; L46-F57 HydrophobicContact CG-CD1 4.15Å; L46-F57 HydrophobicContact CG-CE1 3.86Å; L46-F57 HydrophobicContact CG-CZ 4.26Å; F57-P81 HydrophobicContact CZ-CG 4.31Å
58	S	74.5	Confident	80.7	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	33%	0.327	C	S	.	.			trans	-93.9	147.7	-172.7	68.4	0	0	0	0	113.3	R35 Q47 Y56	R35-S58 PolarHBondContact NH1-O 3.28Å; R35-S58 PolarHBondContact NH2-O 2.8Å; Q47-S58 PolarHBondContact OE1-OG 3.01Å; Y56-S58 PolarHBondContact O-N 3.07Å
59	T	76.5	Confident	80.7	Confident	33 Å²	33	63.8 Å²	63.8	20%	0.202	32%	0.319	C	S	.	.			trans	-59.5	160	170.3	64.5	0	0	0	0	111.1	I28 K61 N62 W63 N201	I28-T59 HydrophobicContact CD1-CG2 3.64Å; I28-T59 HydrophobicContact CG1-CG2 4.48Å; T59-K61 PolarHBondContact O-N 3.23Å; T59-N62 PolarHBondContact O-N 3.01Å; T59-N62 PolarHBondContact OG1-N 3.18Å; T59-W63 WeakPolarHBondContact O-CB 3.46Å; T59-W63 PolarHBondContact O-N 3.34Å; T59-N201 HydrophobicContact CG2-CB 4.17Å
60	C	74.9	Confident	80.6	Confident	48 Å²	48	66.9 Å²	66.9	32%	0.324	35%	0.352	S	S	.	.	H	α-helix	trans	-55.1	-41.1	174.7	-66.5	0	0	0	0	112	R35 N62 W63 Y64	R35-C60 VanDerWaalsContact NH2-CA 3.3Å; R35-C60 PolarHBondContact NH2-SG 3.02Å; C60-N62 PolarHBondContact O-N 3.22Å; C60-W63 WeakPolarHBondContact O-CB 3.48Å; C60-W63 PolarHBondContact O-N 2.96Å; C60-Y64 HydrophobicContact CB-CE2 4.28Å; C60-Y64 WeakPolarHBondContact O-CD2 3.04Å; C60-Y64 PolarHBondContact O-N 3.41Å; C60-Y64 VanDerWaalsContact O-N 3.16Å
61	K	72.9	Confident	80.7	Confident	154 Å²	154	65.6 Å²	65.6	67%	0.67	34%	0.343	S	S	*	.	H	α-helix	trans	-57.6	-48.2	177.7	-173.5	178.8	-179.6	-178.1	0	111.9	T59 K65	T59-K61 PolarHBondContact O-N 3.23Å; K61-K65 WeakPolarHBondContact O-CG 3.32Å; K61-K65 PolarHBondContact O-N 2.97Å
62	N	72.2	Confident	81.1	Confident	22 Å²	22	69.1 Å²	69.1	12%	0.118	33%	0.334	C	S	.	.	H	α-helix	trans	-73.5	-34.8	-179.4	-69.7	-9.3	0	0	0	112	T59 C60 Y64 K65 K66	T59-N62 PolarHBondContact O-N 3.01Å; T59-N62 PolarHBondContact OG1-N 3.18Å; C60-N62 PolarHBondContact O-N 3.22Å; N62-Y64 PolarHBondContact O-N 3.49Å; N62-K65 PolarHBondContact O-N 2.98Å; N62-K66 PolarHBondContact O-N 3.1Å
63	W	77.9	Confident	81.4	Confident	35 Å²	35	68.3 Å²	68.3	13%	0.133	33%	0.33	C	S	.	.	H	α-helix	trans	-55.8	-51.1	176.3	-173.7	-91.8	0	0	0	112.2	R35 A45 Q47 T59 C60 K65 K66 V75	R35-W63 VanDerWaalsContact NH1-CE3 3.33Å; A45-W63 HydrophobicContact CB-CH2 3.45Å; A45-W63 VanDerWaalsContact CB-CH2 3.45Å; A45-W63 HydrophobicContact CB-CZ2 4.26Å; A45-W63 HydrophobicContact CB-CZ3 3.98Å; Q47-W63 HydrophobicContact CG-CE3 3.73Å; Q47-W63 HydrophobicContact CG-CZ3 3.71Å; Q47-W63 PolarHBondContact NE2-O 3.47Å; T59-W63 WeakPolarHBondContact O-CB 3.46Å; T59-W63 PolarHBondContact O-N 3.34Å; C60-W63 WeakPolarHBondContact O-CB 3.48Å; C60-W63 PolarHBondContact O-N 2.96Å; W63-K65 VanDerWaalsContact C-N 3.31Å; W63-K65 PolarHBondContact O-N 3.41Å; W63-K66 PolarHBondContact O-N 3.04Å; W63-V75 HydrophobicContact CH2-CB 4.1Å; W63-V75 HydrophobicContact CH2-CG1 3.44Å; W63-V75 VanDerWaalsContact CH2-CG1 3.44Å; W63-V75 HydrophobicContact CH2-CG2 3.56Å; W63-V75 HydrophobicContact CZ2-CB 4.43Å; W63-V75 HydrophobicContact CZ2-CG1 3.91Å; W63-V75 HydrophobicContact CZ2-CG2 3.62Å; W63-V75 HydrophobicContact CZ3-CG1 4.46Å; W63-V75 HydrophobicContact CZ3-CG2 4.27Å
64	Y	78.1	Confident	81.7	Confident	183 Å²	183	63.6 Å²	63.6	72%	0.718	32%	0.316	S	S	*	.	H	α-helix	trans	-70.7	-25.2	-179.2	-67.9	-65	0	0	0	113.6	C60 N62 K66	C60-Y64 HydrophobicContact CB-CE2 4.28Å; C60-Y64 WeakPolarHBondContact O-CD2 3.04Å; C60-Y64 PolarHBondContact O-N 3.41Å; C60-Y64 VanDerWaalsContact O-N 3.16Å; N62-Y64 PolarHBondContact O-N 3.49Å; Y64-K66 PolarHBondContact O-N 2.89Å
65	K	76.7	Confident	82	Confident	121 Å²	121	64.4 Å²	64.4	53%	0.526	32%	0.324	S	S	.	.	H	α-helix	trans	-67.2	-17.2	173.8	-78.3	-177.2	173.6	-167.1	0	113.5	K61 N62 W63 S67	K61-K65 WeakPolarHBondContact O-CG 3.32Å; K61-K65 PolarHBondContact O-N 2.97Å; N62-K65 PolarHBondContact O-N 2.98Å; W63-K65 VanDerWaalsContact C-N 3.31Å; W63-K65 PolarHBondContact O-N 3.41Å; K65-S67 PolarHBondContact O-N 2.95Å; K65-S67 PolarHBondContact O-OG 2.91Å
66	K	81.4	Confident	82.3	Confident	158 Å²	158	64.2 Å²	64.2	69%	0.687	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.8	22.9	-177.9	-62.8	-176.4	178	179.8	0	114.2	N62 W63 Y64 A73	N62-K66 PolarHBondContact O-N 3.1Å; W63-K66 PolarHBondContact O-N 3.04Å; Y64-K66 PolarHBondContact O-N 2.89Å; K66-A73 PolarHBondContact O-N 3.3Å
67	S	84.8	Confident	82.7	Confident	42 Å²	42	67.3 Å²	67.3	29%	0.294	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	145.4	-179.6	51.3	0	0	0	0	109.7	K65 Q71	K65-S67 PolarHBondContact O-N 2.95Å; K65-S67 PolarHBondContact O-OG 2.91Å; S67-Q71 CarbonylContact C-O 3.56Å; S67-Q71 WeakPolarHBondContact CA-O 3.5Å; S67-Q71 VanDerWaalsContact CB-O 3.24Å; S67-Q71 WeakPolarHBondContact CB-O 3.37Å
68	I	85.3	Confident	83.1	Confident	1 Å²	1	68.2 Å²	68.2	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131	174.6	-61.6	173.3	0	0	0	105.6	Q47 I49 Y56 G70 Q71 A73 M316	Q47-I68 HydrophobicContact CB-CD1 3.69Å; I49-I68 HydrophobicContact CD1-CB 4.12Å; I49-I68 HydrophobicContact CD1-CG2 3.76Å; I49-I68 HydrophobicContact CG1-CB 3.9Å; I49-I68 HydrophobicContact CG1-CG2 4.08Å; Y56-I68 HydrophobicContact CD2-CD1 3.98Å; Y56-I68 HydrophobicContact CD2-CG2 4.47Å; Y56-I68 HydrophobicContact CE2-CG2 4.46Å; Y56-I68 HydrophobicContact CG-CD1 4.37Å; I68-G70 VanDerWaalsContact C-N 3.31Å; I68-G70 PolarHBondContact O-N 3.11Å; I68-Q71 PolarHBondContact N-O 2.83Å; I68-Q71 PolarHBondContact O-N 3.46Å; I68-Q71 VanDerWaalsContact O-N 3.07Å; I68-A73 HydrophobicContact CD1-CB 4.27Å; I68-A73 HydrophobicContact CG1-CB 4.22Å; I68-M316 HydrophobicContact CD1-CE 3.99Å; I68-M316 HydrophobicContact CG1-CE 4.45Å; I68-M316 HydrophobicContact CG2-CB 4.24Å; I68-M316 HydrophobicContact CG2-CE 4.2Å
69	C	87.3	Confident	83.7	Confident	8 Å²	8	69.9 Å²	69.9	5%	0.054	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	47.8	-176	-61.1	0	0	0	0	113.6	Q71 M316 C333 D334 G335	C69-Q71 PolarHBondContact O-N 3.37Å; C69-M316 PolarHBondContact N-O 2.54Å; C69-C333 CarbonylContact C-O 3.56Å; C69-C333 VanDerWaalsContact C-O 3.24Å; C69-C333 WeakPolarHBondContact CA-O 3.25Å; C69-C333 WeakPolarHBondContact CA-SG 3.42Å; C69-C333 HydrophobicContact CB-CB 3.58Å; C69-C333 WeakPolarHBondContact CB-SG 3.26Å; C69-C333 WeakPolarHBondContact SG-CB 3.45Å; C69-C333 CovalentContact SG-SG 2.02Å; C69-C333 PolarHBondContact SG-SG 2.93Å; C69-D334 VanDerWaalsContact O-CA 3.29Å; C69-D334 WeakPolarHBondContact O-CA 3.33Å; C69-G335 WeakPolarHBondContact CB-O 2.99Å; C69-G335 PolarHBondContact O-N 2.72Å
70	G	85.3	Confident	84.2	Confident	67 Å²	67	68.4 Å²	68.4	69%	0.691	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.4	-12.7	179.9	0	0	0	0	0	115.8	I68	I68-G70 VanDerWaalsContact C-N 3.31Å; I68-G70 PolarHBondContact O-N 3.11Å
71	Q	87.9	Confident	84.4	Confident	77 Å²	77	66.9 Å²	66.9	36%	0.36	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	145.5	-177.3	-61.7	-57.6	-32.8	0	0	111.1	I49 S67 I68 C69 A73 D334	I49-Q71 HydrophobicContact CG2-CB 3.51Å; I49-Q71 HydrophobicContact CG2-CG 4.15Å; S67-Q71 CarbonylContact C-O 3.56Å; S67-Q71 WeakPolarHBondContact CA-O 3.5Å; S67-Q71 VanDerWaalsContact CB-O 3.24Å; S67-Q71 WeakPolarHBondContact CB-O 3.37Å; I68-Q71 PolarHBondContact N-O 2.83Å; I68-Q71 PolarHBondContact O-N 3.46Å; I68-Q71 VanDerWaalsContact O-N 3.07Å; C69-Q71 PolarHBondContact O-N 3.37Å; Q71-A73 PolarHBondContact O-N 3.49Å; Q71-D334 PolarHBondContact NE2-OD1 3.32Å
72	K	89.9	Confident	84.7	Confident	158 Å²	158	60.3 Å²	60.3	69%	0.687	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.6	137	175.5	-72.9	-176.5	179.5	176	0	109.7	L50	L50-K72 WeakPolarHBondContact CB-O 3.37Å; L50-K72 PolarHBondContact N-O 3.13Å
73	A	89.1	Confident	85.3	Confident	13 Å²	13	62.5 Å²	62.5	11%	0.107	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	129	176.9	0	0	0	0	0	110.8	Q47 Q48 K66 I68 Q71	Q47-A73 HydrophobicContact CB-CB 4.09Å; Q47-A73 HydrophobicContact CG-CB 4.39Å; Q48-A73 CarbonylContact O-C 2.93Å; Q48-A73 WeakPolarHBondContact O-CA 3.42Å; K66-A73 PolarHBondContact O-N 3.3Å; I68-A73 HydrophobicContact CD1-CB 4.27Å; I68-A73 HydrophobicContact CG1-CB 4.22Å; Q71-A73 PolarHBondContact O-N 3.49Å
74	T	89.7	Confident	85.7	Confident	69 Å²	69	63.4 Å²	63.4	42%	0.423	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	143	172.8	51.3	0	0	0	0	110	Q47 Q48 L50	Q47-T74 WeakPolarHBondContact CA-O 3.3Å; Q48-T74 PolarHBondContact N-O 3.25Å; Q48-T74 PolarHBondContact O-N 3.38Å; Q48-T74 PolarHBondContact O-OG1 2.84Å; L50-T74 HydrophobicContact CD1-CG2 4.15Å
75	V	89.7	Confident	86.2	Confident	62 Å²	62	62.4 Å²	62.4	38%	0.376	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	128.4	174.9	173.2	0	0	0	0	109.3	L46 W63 Y77	L46-V75 WeakPolarHBondContact O-CA 3.41Å; W63-V75 HydrophobicContact CH2-CB 4.1Å; W63-V75 HydrophobicContact CH2-CG1 3.44Å; W63-V75 VanDerWaalsContact CH2-CG1 3.44Å; W63-V75 HydrophobicContact CH2-CG2 3.56Å; W63-V75 HydrophobicContact CZ2-CB 4.43Å; W63-V75 HydrophobicContact CZ2-CG1 3.91Å; W63-V75 HydrophobicContact CZ2-CG2 3.62Å; W63-V75 HydrophobicContact CZ3-CG1 4.46Å; W63-V75 HydrophobicContact CZ3-CG2 4.27Å; V75-Y77 HydrophobicContact CG1-CD2 4.26Å; V75-Y77 HydrophobicContact CG1-CE1 4.2Å; V75-Y77 HydrophobicContact CG1-CE2 3.71Å
76	L	90.1	Very high	86.8	Confident	54 Å²	54	60.5 Å²	60.5	28%	0.283	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.1	175	-166.6	69.4	0	0	0	109.3	L46 K55 E78	L46-L76 PolarHBondContact N-O 3.44Å; L46-L76 PolarHBondContact O-N 2.95Å; K55-L76 HydrophobicContact CD-CD2 4.23Å; L76-E78 HydrophobicContact CD2-CG 3.84Å; L76-E78 WeakPolarHBondContact CD2-OE1 3.17Å; L76-E78 HydrophobicContact CG-CG 3.95Å
77	Y	90.5	Very high	87.2	Confident	79 Å²	79	62.4 Å²	62.4	31%	0.31	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	110.4	177.6	-65.3	-78.6	0	0	0	109.7	Q39 V43 C44 A45 V75 R85	Q39-Y77 HydrophobicContact CG-CD1 3.62Å; Q39-Y77 HydrophobicContact CG-CD2 4Å; Q39-Y77 HydrophobicContact CG-CE1 3.89Å; Q39-Y77 HydrophobicContact CG-CE2 4.26Å; Q39-Y77 HydrophobicContact CG-CG 3.67Å; V43-Y77 HydrophobicContact CG1-CD1 4.17Å; V43-Y77 HydrophobicContact CG1-CG 4.49Å; C44-Y77 WeakPolarHBondContact O-CA 3.16Å; A45-Y77 HydrophobicContact CB-CD1 3.9Å; A45-Y77 HydrophobicContact CB-CE1 3.69Å; V75-Y77 HydrophobicContact CG1-CD2 4.26Å; V75-Y77 HydrophobicContact CG1-CE1 4.2Å; V75-Y77 HydrophobicContact CG1-CE2 3.71Å; Y77-R85 PolarHBondContact O-NH2 3.26Å
78	E	89.8	Confident	87.4	Confident	49 Å²	49	64.7 Å²	64.7	23%	0.229	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	164.4	-179.5	-61.4	-173.1	149.9	0	0	109.9	C44 L46 K55 L76 C80	C44-E78 PolarHBondContact N-O 3.07Å; C44-E78 PolarHBondContact O-N 3.4Å; C44-E78 VanDerWaalsContact O-N 3.09Å; L46-E78 HydrophobicContact CD1-CB 3.9Å; L46-E78 HydrophobicContact CD1-CG 4.26Å; K55-E78 IonicContact NZ-OE1 3.16Å; K55-E78 PolarHBondContact NZ-OE1 3.46Å; K55-E78 IonicContact NZ-OE2 2.71Å; K55-E78 PolarHBondContact NZ-OE2 3.47Å; L76-E78 HydrophobicContact CD2-CG 3.84Å; L76-E78 WeakPolarHBondContact CD2-OE1 3.17Å; L76-E78 HydrophobicContact CG-CG 3.95Å; E78-C80 PolarHBondContact O-N 2.86Å
79	C	88.6	Confident	87.7	Confident	34 Å²	34	70 Å²	70	23%	0.23	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	137.1	171.5	-60.8	0	0	0	0	109.9	Y83 R85 C92	C79-Y83 WeakPolarHBondContact CB-O 3.4Å; C79-R85 VanDerWaalsContact SG-CG 3.6Å; C79-C92 WeakPolarHBondContact CA-SG 3.34Å; C79-C92 HydrophobicContact CB-CB 3.66Å; C79-C92 WeakPolarHBondContact CB-SG 3.43Å; C79-C92 WeakPolarHBondContact SG-CB 3.28Å; C79-C92 CovalentContact SG-SG 2.03Å; C79-C92 PolarHBondContact SG-SG 3.1Å
80	C	85.8	Confident	87.9	Confident	2 Å²	2	78.2 Å²	78.2	1%	0.014	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-60.1	153.6	170.9	-65.1	0	0	0	0	110.4	R33 N42 C44 E78 G82 Y83	R33-C80 WeakPolarHBondContact CG-SG 3.41Å; N42-C80 WeakPolarHBondContact O-CB 3.47Å; N42-C80 PolarHBondContact O-N 2.7Å; N42-C80 PolarHBondContact O-SG 2.86Å; C44-C80 VanDerWaalsContact CA-SG 3.53Å; C44-C80 HydrophobicContact CB-CB 4.07Å; C44-C80 WeakPolarHBondContact CB-SG 3.34Å; C44-C80 PolarHBondContact N-SG 3.04Å; C44-C80 WeakPolarHBondContact SG-CA 3.46Å; C44-C80 WeakPolarHBondContact SG-CB 3.46Å; C44-C80 CovalentContact SG-SG 2.04Å; C44-C80 PolarHBondContact SG-SG 2.91Å; E78-C80 PolarHBondContact O-N 2.86Å; C80-G82 PolarHBondContact O-N 3.39Å; C80-Y83 HydrophobicContact CB-CD2 4.24Å; C80-Y83 PolarHBondContact O-N 2.86Å
81	P	80.4	Confident	88.2	Confident	16 Å²	16	75.6 Å²	75.6	10%	0.104	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	129.4	175	-27.3	34.8	0	0	0	111.6	F57 G214	F57-P81 HydrophobicContact CZ-CG 4.31Å; P81-G214 WeakPolarHBondContact CB-O 3.46Å
82	G	77.7	Confident	88.4	Confident	17 Å²	17	71.9 Å²	71.9	18%	0.175	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-3.3	-176.4	0	0	0	0	0	116.7	C80 V95 L96	C80-G82 PolarHBondContact O-N 3.39Å; G82-V95 WeakPolarHBondContact O-CA 3.33Å; G82-V95 WeakPolarHBondContact O-CG1 3.18Å; G82-L96 PolarHBondContact O-N 3.47Å
83	Y	84.8	Confident	88.4	Confident	67 Å²	67	66.4 Å²	66.4	26%	0.263	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	156.2	-176.3	-63.4	-93.3	0	0	0	112.9	N42 C79 C80 A94 V95	N42-Y83 HydrophobicContact CB-CD1 3.51Å; N42-Y83 HydrophobicContact CB-CD2 3.82Å; N42-Y83 HydrophobicContact CB-CE1 3.91Å; N42-Y83 HydrophobicContact CB-CE2 4.2Å; N42-Y83 HydrophobicContact CB-CG 3.45Å; N42-Y83 VanDerWaalsContact CB-CG 3.45Å; N42-Y83 WeakPolarHBondContact ND2-CD1 3.49Å; N42-Y83 WeakPolarHBondContact ND2-CE1 3.42Å; C79-Y83 WeakPolarHBondContact CB-O 3.4Å; C80-Y83 HydrophobicContact CB-CD2 4.24Å; C80-Y83 PolarHBondContact O-N 2.86Å; Y83-A94 CarbonylContact C-O 3.39Å; Y83-A94 VanDerWaalsContact CA-O 3.27Å; Y83-A94 WeakPolarHBondContact CA-O 3.47Å; Y83-A94 WeakPolarHBondContact CB-O 3.45Å; Y83-A94 WeakPolarHBondContact CD1-O 3.45Å; Y83-V95 HydrophobicContact CD1-CG2 3.94Å; Y83-V95 HydrophobicContact CE1-CG2 3.66Å
84	T	86.1	Confident	88.2	Confident	55 Å²	55	66.7 Å²	66.7	34%	0.337	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	163.2	178.5	-167.1	0	0	0	0	112.2	C92 A94 L96	T84-C92 CarbonylContact O-C 3.57Å; T84-C92 VanDerWaalsContact O-C 3.3Å; T84-C92 WeakPolarHBondContact O-CA 3.35Å; T84-A94 HydrophobicContact CG2-CB 3.69Å; T84-A94 PolarHBondContact N-O 3.06Å; T84-A94 PolarHBondContact O-N 3.26Å; T84-L96 HydrophobicContact CG2-CD2 4.06Å
85	R	90	Very high	87.8	Confident	161 Å²	161	67.9 Å²	67.9	61%	0.608	36%	0.364	S	S	*	.			trans	-79.6	149.8	177.4	-58.6	-170.3	177.9	-176.9	-0.1	110.1	Y77 C79	Y77-R85 PolarHBondContact O-NH2 3.26Å; C79-R85 VanDerWaalsContact SG-CG 3.6Å
86	M	89.5	Confident	87.3	Confident	81 Å²	81	66.7 Å²	66.7	40%	0.399	36%	0.355	S	S	.	.			trans	-116.7	142.8	166.4	-75.3	-165	-75.6	0	0	109.4	G88 M89 P93 A94	M86-G88 PolarHBondContact O-N 3.32Å; M86-M89 HydrophobicContact CB-CB 4.38Å; M86-M89 HydrophobicContact CB-CG 4.36Å; M86-M89 HydrophobicContact CB-SD 4.38Å; M86-M89 HydrophobicContact CE-CE 4.23Å; M86-M89 HydrophobicContact CE-SD 3.65Å; M86-M89 PolarHBondContact O-N 3.32Å; M86-M89 VanDerWaalsContact O-N 3.16Å; M86-P93 HydrophobicContact CB-CG 4.17Å; M86-P93 HydrophobicContact CE-CB 3.95Å; M86-P93 HydrophobicContact CE-CG 3.63Å; M86-P93 HydrophobicContact CG-CG 4.41Å; M86-A94 HydrophobicContact CE-CB 4.03Å; M86-A94 HydrophobicContact CG-CB 3.63Å; M86-A94 HydrophobicContact SD-CB 3.96Å
87	E	89.6	Confident	86.7	Confident	198 Å²	198	68.5 Å²	68.5	93%	0.925	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	135.2	179.5	-162.2	174.6	-174.5	0	0	110.8	M89	E87-M89 PolarHBondContact O-N 3.26Å
88	G	89.1	Confident	86.4	Confident	90 Å²	90	70.2 Å²	70.2	93%	0.928	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	-3.3	-177.9	0	0	0	0	0	116.2	M86	M86-G88 PolarHBondContact O-N 3.32Å
89	M	91.9	Very high	86.5	Confident	113 Å²	113	70.7 Å²	70.7	56%	0.557	39%	0.388	S	S	*	.			trans	-109.6	145.7	179	-59.8	-163.2	-175.5	0	0	112.8	M86 E87 P93	M86-M89 HydrophobicContact CB-CB 4.38Å; M86-M89 HydrophobicContact CB-CG 4.36Å; M86-M89 HydrophobicContact CB-SD 4.38Å; M86-M89 HydrophobicContact CE-CE 4.23Å; M86-M89 HydrophobicContact CE-SD 3.65Å; M86-M89 PolarHBondContact O-N 3.32Å; M86-M89 VanDerWaalsContact O-N 3.16Å; E87-M89 PolarHBondContact O-N 3.26Å; M89-P93 HydrophobicContact CB-CG 3.83Å; M89-P93 HydrophobicContact CG-CG 4.47Å; M89-P93 HydrophobicContact SD-CB 4.36Å; M89-P93 HydrophobicContact SD-CG 3.87Å
90	K	91.2	Very high	86.9	Confident	181 Å²	181	71.1 Å²	71.1	79%	0.787	39%	0.386	S	S	*	.	S	Bend	trans	-77.3	144.3	174.8	-69	-172.6	178	-176.8	0	111.2	P41	P41-K90 WeakPolarHBondContact CD-O 3.39Å
91	G	91.3	Very high	87.5	Confident	11 Å²	11	71 Å²	71	11%	0.113	39%	0.386	C	S	.	.	S	Bend	trans	70.1	-144.9	178.3	0	0	0	0	0	114.1	Q39 V43 P93	Q39-G91 PolarHBondContact O-N 2.95Å; V43-G91 VanDerWaalsContact CG2-CA 3.47Å; G91-P93 VanDerWaalsContact C-CD 3.45Å; G91-P93 WeakPolarHBondContact O-CD 3.48Å
92	C	92.6	Very high	88.3	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	39%	0.385	C	S	.	.			trans	-125.4	70.8	-176.8	-53.4	0	0	0	0	110.5	P41 N42 C79 T84 A94	P41-C92 CarbonylContact O-C 3.42Å; P41-C92 WeakPolarHBondContact O-CA 3.35Å; P41-C92 PolarHBondContact O-N 3.18Å; N42-C92 HydrophobicContact CB-CB 4.3Å; N42-C92 WeakPolarHBondContact CB-O 3.46Å; N42-C92 PolarHBondContact ND2-O 3.34Å; C79-C92 WeakPolarHBondContact CA-SG 3.34Å; C79-C92 HydrophobicContact CB-CB 3.66Å; C79-C92 WeakPolarHBondContact CB-SG 3.43Å; C79-C92 WeakPolarHBondContact SG-CB 3.28Å; C79-C92 CovalentContact SG-SG 2.03Å; C79-C92 PolarHBondContact SG-SG 3.1Å; T84-C92 CarbonylContact O-C 3.57Å; T84-C92 VanDerWaalsContact O-C 3.3Å; T84-C92 WeakPolarHBondContact O-CA 3.35Å; C92-A94 VanDerWaalsContact C-N 3.3Å; C92-A94 PolarHBondContact O-N 3.23Å
93	P	90.1	Very high	89.2	Confident	42 Å²	42	71.1 Å²	71.1	27%	0.273	38%	0.381	S	S	.	.			trans	-74.5	-19.1	-174.2	30.8	-36.6	0	0	0	113.5	P41 M86 M89 G91	P41-P93 HydrophobicContact CG-CB 4.2Å; M86-P93 HydrophobicContact CB-CG 4.17Å; M86-P93 HydrophobicContact CE-CB 3.95Å; M86-P93 HydrophobicContact CE-CG 3.63Å; M86-P93 HydrophobicContact CG-CG 4.41Å; M89-P93 HydrophobicContact CB-CG 3.83Å; M89-P93 HydrophobicContact CG-CG 4.47Å; M89-P93 HydrophobicContact SD-CB 4.36Å; M89-P93 HydrophobicContact SD-CG 3.87Å; G91-P93 VanDerWaalsContact C-CD 3.45Å; G91-P93 WeakPolarHBondContact O-CD 3.48Å
94	A	84.8	Confident	89.6	Confident	19 Å²	19	68.1 Å²	68.1	16%	0.157	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	145.9	179	0	0	0	0	0	111.4	Y83 T84 M86 C92	Y83-A94 CarbonylContact C-O 3.39Å; Y83-A94 VanDerWaalsContact CA-O 3.27Å; Y83-A94 WeakPolarHBondContact CA-O 3.47Å; Y83-A94 WeakPolarHBondContact CB-O 3.45Å; Y83-A94 WeakPolarHBondContact CD1-O 3.45Å; T84-A94 HydrophobicContact CG2-CB 3.69Å; T84-A94 PolarHBondContact N-O 3.06Å; T84-A94 PolarHBondContact O-N 3.26Å; M86-A94 HydrophobicContact CE-CB 4.03Å; M86-A94 HydrophobicContact CG-CB 3.63Å; M86-A94 HydrophobicContact SD-CB 3.96Å; C92-A94 VanDerWaalsContact C-N 3.3Å; C92-A94 PolarHBondContact O-N 3.23Å
95	V	81.4	Confident	90.1	Very high	95 Å²	95	65.5 Å²	65.5	58%	0.576	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	142.1	167.4	-176.1	0	0	0	0	107.3	G82 Y83	G82-V95 WeakPolarHBondContact O-CA 3.33Å; G82-V95 WeakPolarHBondContact O-CG1 3.18Å; Y83-V95 HydrophobicContact CD1-CG2 3.94Å; Y83-V95 HydrophobicContact CE1-CG2 3.66Å
96	L	77.5	Confident	90.3	Very high	36 Å²	36	59.1 Å²	59.1	19%	0.188	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-60.3	137.6	171.7	-73.2	168.3	0	0	0	109.3	G82 T84 I98 I107	G82-L96 PolarHBondContact O-N 3.47Å; T84-L96 HydrophobicContact CG2-CD2 4.06Å; L96-I98 PolarHBondContact O-N 3.36Å; L96-I107 HydrophobicContact CB-CG2 4.06Å; L96-I107 HydrophobicContact CD1-CG2 3.8Å; L96-I107 HydrophobicContact CD2-CG2 3.86Å; L96-I107 HydrophobicContact CG-CG2 4.11Å
97	P	78.1	Confident	90.3	Very high	92 Å²	92	57.9 Å²	57.9	60%	0.597	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-57.7	137.2	176.2	25.7	-32.6	0	0	0	108.8	I107	P97-I107 HydrophobicContact CG-CD1 4.16Å; P97-I107 WeakPolarHBondContact O-CD1 3.41Å
98	I	84.5	Confident	90.3	Very high	116 Å²	116	49.7 Å²	49.7	60%	0.595	30%	0.296	S	S	*	.	P	Polyproline II helix	trans	-76.6	130.7	169.1	56.9	174.7	0	0	0	107.8	L96 T219	L96-I98 PolarHBondContact O-N 3.36Å; I98-T219 HydrophobicContact CB-CG2 4.37Å; I98-T219 HydrophobicContact CD1-CG2 4.29Å; I98-T219 HydrophobicContact CG1-CG2 4.24Å
99	D	92.7	Very high	90.4	Very high	59 Å²	59	47.1 Å²	47.1	32%	0.316	27%	0.27	S	S	.	.			trans	-130.1	174.7	173.7	-157	-9	0	0	0	108.4	T104 I107 A218 T219	D99-T104 PolarHBondContact O-OG1 3.3Å; D99-I107 HydrophobicContact CB-CD1 4.02Å; D99-A218 CarbonylContact O-C 3.3Å; D99-A218 WeakPolarHBondContact O-CA 3.12Å; D99-A218 WeakPolarHBondContact O-CB 3.47Å; D99-T219 PolarHBondContact O-N 3.05Å; D99-T219 PolarHBondContact O-OG1 3.13Å
100	H	96.3	Very high	90.6	Very high	43 Å²	43	41.8 Å²	41.8	20%	0.199	24%	0.244	C	C	.	.			trans	-61.3	165.6	166.9	48.9	67.6	0	0	0	111	Y102 G103 T104 E127 T219 N220	H100-Y102 VanDerWaalsContact C-N 3.25Å; H100-Y102 PolarHBondContact O-N 3.47Å; H100-G103 PolarHBondContact CE1-N 3.28Å; H100-G103 PolarHBondContact ND1-N 2.79Å; H100-G103 VanDerWaalsContact ND1-N 3.13Å; H100-G103 PolarHBondContact O-N 3.38Å; H100-G103 VanDerWaalsContact O-N 3.11Å; H100-T104 PolarHBondContact O-N 3.33Å; H100-T104 PolarHBondContact O-OG1 3Å; H100-E127 IonicContact CE1-OE1 3.74Å; H100-E127 IonicContact NE2-OE1 3.51Å; H100-T219 VanDerWaalsContact CA-OG1 3.24Å; H100-T219 WeakPolarHBondContact CA-OG1 3.4Å; H100-T219 PolarHBondContact N-OG1 3.36Å; H100-N220 WeakPolarHBondContact CA-OD1 3.49Å
101	V	97.4	Very high	90.9	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-54.5	-42.1	-174.8	164.9	0	0	0	0	111.4	G103 T104 L105 I126 F132 Y134 A218 N220 V223	V101-G103 PolarHBondContact O-N 2.98Å; V101-T104 WeakPolarHBondContact O-CB 3.36Å; V101-T104 PolarHBondContact O-N 3.33Å; V101-L105 WeakPolarHBondContact O-CG 3.23Å; V101-L105 PolarHBondContact O-N 3.23Å; V101-L105 VanDerWaalsContact O-N 3.12Å; V101-I126 HydrophobicContact CB-CB 4.16Å; V101-I126 HydrophobicContact CG1-CB 4.12Å; V101-I126 HydrophobicContact CG1-CD1 4.32Å; V101-I126 HydrophobicContact CG1-CG2 4.39Å; V101-I126 PolarHBondContact N-O 3.28Å; V101-F132 HydrophobicContact CG2-CB 4.35Å; V101-Y134 HydrophobicContact CG1-CD1 3.71Å; V101-Y134 HydrophobicContact CG1-CG 4.31Å; V101-A218 HydrophobicContact CB-CB 4.4Å; V101-A218 HydrophobicContact CG2-CB 3.64Å; V101-N220 WeakPolarHBondContact CG2-OD1 3.36Å; V101-N220 PolarHBondContact N-OD1 3.42Å; V101-V223 HydrophobicContact CG1-CG2 4.1Å
102	Y	97.9	Very high	91.2	Very high	25 Å²	25	37.1 Å²	37.1	10%	0.098	23%	0.228	C	C	.	.	H	α-helix	trans	-59.1	-47	176.3	179.1	-100.7	0	0	0	114.1	H100 T104 L105 Q114 D118 R123 I126 E127	H100-Y102 VanDerWaalsContact C-N 3.25Å; H100-Y102 PolarHBondContact O-N 3.47Å; Y102-T104 VanDerWaalsContact C-N 3.3Å; Y102-T104 PolarHBondContact O-N 3.11Å; Y102-L105 WeakPolarHBondContact O-CB 3.22Å; Y102-L105 PolarHBondContact O-N 3.29Å; Y102-Q114 HydrophobicContact CD2-CG 4Å; Y102-Q114 HydrophobicContact CE1-CG 4.18Å; Y102-Q114 HydrophobicContact CE2-CG 3.5Å; Y102-Q114 VanDerWaalsContact CE2-CG 3.5Å; Y102-Q114 WeakPolarHBondContact CE2-O 3.35Å; Y102-Q114 PolarHBondContact O-NE2 3.19Å; Y102-D118 HydrophobicContact CE2-CB 4.13Å; Y102-R123 HydrophobicContact CD1-CG 4.09Å; Y102-R123 HydrophobicContact CD2-CB 4.05Å; Y102-R123 HydrophobicContact CD2-CG 3.78Å; Y102-R123 HydrophobicContact CE1-CG 4.2Å; Y102-R123 VanDerWaalsContact CE1-NE 3.32Å; Y102-R123 HydrophobicContact CE2-CB 4.09Å; Y102-R123 HydrophobicContact CE2-CG 3.86Å; Y102-R123 HydrophobicContact CG-CG 3.89Å; Y102-I126 HydrophobicContact CD2-CD1 4.04Å; Y102-I126 HydrophobicContact CG-CD1 4.39Å; Y102-E127 HydrophobicContact CD1-CG 4.33Å; Y102-E127 VanDerWaalsContact CD1-OE1 3.27Å; Y102-E127 WeakPolarHBondContact CD1-OE1 3.48Å; Y102-E127 HydrophobicContact CG-CG 4.31Å
103	G	95.8	Very high	91.5	Very high	9 Å²	9	37.1 Å²	37.1	9%	0.093	23%	0.228	C	C	.	.	H	α-helix	trans	-68.5	-34.9	178.8	0	0	0	0	0	111.4	H100 V101 L105 G106 I107	H100-G103 PolarHBondContact CE1-N 3.28Å; H100-G103 PolarHBondContact ND1-N 2.79Å; H100-G103 VanDerWaalsContact ND1-N 3.13Å; H100-G103 PolarHBondContact O-N 3.38Å; H100-G103 VanDerWaalsContact O-N 3.11Å; V101-G103 PolarHBondContact O-N 2.98Å; G103-L105 VanDerWaalsContact C-N 3.26Å; G103-L105 PolarHBondContact O-N 3.44Å; G103-G106 PolarHBondContact O-N 2.82Å; G103-G106 VanDerWaalsContact O-N 3.09Å; G103-I107 PolarHBondContact O-N 3.27Å; G103-I107 VanDerWaalsContact O-N 3.15Å
104	T	95.1	Very high	91.9	Very high	4 Å²	4	37 Å²	37	3%	0.025	22%	0.224	C	C	.	.	H	α-helix	trans	-61.1	-32.9	175.3	-54	0	0	0	0	112.1	D99 H100 V101 Y102 G106 I107 V108 Q216 A218 V223	D99-T104 PolarHBondContact O-OG1 3.3Å; H100-T104 PolarHBondContact O-N 3.33Å; H100-T104 PolarHBondContact O-OG1 3Å; V101-T104 WeakPolarHBondContact O-CB 3.36Å; V101-T104 PolarHBondContact O-N 3.33Å; Y102-T104 VanDerWaalsContact C-N 3.3Å; Y102-T104 PolarHBondContact O-N 3.11Å; T104-G106 VanDerWaalsContact C-N 3.3Å; T104-G106 PolarHBondContact O-N 3.44Å; T104-I107 WeakPolarHBondContact O-CB 3.29Å; T104-I107 PolarHBondContact O-N 3.15Å; T104-V108 HydrophobicContact CG2-CG1 4.2Å; T104-V108 WeakPolarHBondContact O-CG1 3.45Å; T104-V108 WeakPolarHBondContact O-CG2 3.44Å; T104-V108 PolarHBondContact O-N 2.96Å; T104-Q216 HydrophobicContact CG2-CB 4.12Å; T104-A218 WeakPolarHBondContact OG1-CB 3.47Å; T104-V223 HydrophobicContact CG2-CB 4Å; T104-V223 HydrophobicContact CG2-CG2 3.7Å
105	L	96	Very high	92.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-56.7	-43.8	173.4	-63.3	173.8	0	0	0	111.9	V101 Y102 G103 V108 G109 A110 T113 Q114 I126 Y134 A136 V223	V101-L105 WeakPolarHBondContact O-CG 3.23Å; V101-L105 PolarHBondContact O-N 3.23Å; V101-L105 VanDerWaalsContact O-N 3.12Å; Y102-L105 WeakPolarHBondContact O-CB 3.22Å; Y102-L105 PolarHBondContact O-N 3.29Å; G103-L105 VanDerWaalsContact C-N 3.26Å; G103-L105 PolarHBondContact O-N 3.44Å; L105-V108 WeakPolarHBondContact O-CG2 3.45Å; L105-V108 PolarHBondContact O-N 3.39Å; L105-G109 PolarHBondContact O-N 3.44Å; L105-A110 PolarHBondContact O-N 2.97Å; L105-T113 HydrophobicContact CD1-CG2 4.32Å; L105-T113 HydrophobicContact CD2-CG2 4.27Å; L105-Q114 HydrophobicContact CB-CB 3.82Å; L105-Q114 HydrophobicContact CB-CG 4.14Å; L105-Q114 HydrophobicContact CD1-CB 4.22Å; L105-I126 HydrophobicContact CD1-CD1 4.32Å; L105-Y134 HydrophobicContact CD1-CE1 4.32Å; L105-Y134 HydrophobicContact CD2-CG 4.48Å; L105-A136 HydrophobicContact CD2-CB 3.47Å; L105-A136 VanDerWaalsContact CD2-CB 3.47Å; L105-V223 HydrophobicContact CD2-CG1 3.97Å; L105-V223 HydrophobicContact CD2-CG2 4.28Å
106	G	93.3	Very high	93.3	Very high	28 Å²	28	37.8 Å²	37.8	29%	0.289	22%	0.218	S	C	.	.	H	α-helix	trans	-66.9	-41.2	175.8	0	0	0	0	0	112.4	G103 T104 V108 G109	G103-G106 PolarHBondContact O-N 2.82Å; G103-G106 VanDerWaalsContact O-N 3.09Å; T104-G106 VanDerWaalsContact C-N 3.3Å; T104-G106 PolarHBondContact O-N 3.44Å; G106-V108 VanDerWaalsContact C-N 3.28Å; G106-V108 PolarHBondContact O-N 2.92Å; G106-G109 PolarHBondContact O-N 2.76Å
107	I	90.3	Very high	94.2	Very high	55 Å²	55	36 Å²	36	28%	0.282	21%	0.209	S	C	.	.	H	α-helix	trans	-59	-39.3	177.4	-68.6	171.4	0	0	0	111.8	L96 P97 D99 G103 T104 G109	L96-I107 HydrophobicContact CB-CG2 4.06Å; L96-I107 HydrophobicContact CD1-CG2 3.8Å; L96-I107 HydrophobicContact CD2-CG2 3.86Å; L96-I107 HydrophobicContact CG-CG2 4.11Å; P97-I107 HydrophobicContact CG-CD1 4.16Å; P97-I107 WeakPolarHBondContact O-CD1 3.41Å; D99-I107 HydrophobicContact CB-CD1 4.02Å; G103-I107 PolarHBondContact O-N 3.27Å; G103-I107 VanDerWaalsContact O-N 3.15Å; T104-I107 WeakPolarHBondContact O-CB 3.29Å; T104-I107 PolarHBondContact O-N 3.15Å; I107-G109 VanDerWaalsContact C-N 3.29Å
108	V	89.3	Confident	95.1	Very high	25 Å²	25	35 Å²	35	15%	0.152	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	2.2	179.7	-53.7	0	0	0	0	113.3	T104 L105 G106 A110 Q216 V223 V225	T104-V108 HydrophobicContact CG2-CG1 4.2Å; T104-V108 WeakPolarHBondContact O-CG1 3.45Å; T104-V108 WeakPolarHBondContact O-CG2 3.44Å; T104-V108 PolarHBondContact O-N 2.96Å; L105-V108 WeakPolarHBondContact O-CG2 3.45Å; L105-V108 PolarHBondContact O-N 3.39Å; G106-V108 VanDerWaalsContact C-N 3.28Å; G106-V108 PolarHBondContact O-N 2.92Å; V108-A110 VanDerWaalsContact C-N 3.34Å; V108-A110 HydrophobicContact CG2-CB 3.99Å; V108-Q216 HydrophobicContact CG1-CB 3.64Å; V108-Q216 HydrophobicContact CG1-CG 3.44Å; V108-Q216 VanDerWaalsContact CG1-CG 3.44Å; V108-V223 HydrophobicContact CG2-CG1 4Å; V108-V225 HydrophobicContact CB-CG2 3.84Å; V108-V225 HydrophobicContact CG2-CG2 3.53Å
109	G	91.8	Very high	95.7	Very high	37 Å²	37	31.2 Å²	31.2	38%	0.381	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	10.8	178.8	0	0	0	0	0	115.2	L105 G106 I107 T111 N139	L105-G109 PolarHBondContact O-N 3.44Å; G106-G109 PolarHBondContact O-N 2.76Å; I107-G109 VanDerWaalsContact C-N 3.29Å; G109-T111 PolarHBondContact O-N 3.19Å; G109-N139 PolarHBondContact O-ND2 2.9Å; G109-N139 VanDerWaalsContact O-ND2 3.13Å
110	A	95.8	Very high	95.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	17%	0.169	C	C	.	.			trans	-82.6	53.2	175.3	0	0	0	0	0	111.2	L105 V108 T112 T113 Q114 A136	L105-A110 PolarHBondContact O-N 2.97Å; V108-A110 VanDerWaalsContact C-N 3.34Å; V108-A110 HydrophobicContact CG2-CB 3.99Å; A110-T112 VanDerWaalsContact C-N 3.32Å; A110-T112 PolarHBondContact O-N 2.91Å; A110-T113 PolarHBondContact O-N 3.47Å; A110-Q114 PolarHBondContact O-N 3.39Å; A110-A136 HydrophobicContact CB-CB 4.1Å
111	T	97.6	Very high	95.7	Very high	68 Å²	68	33 Å²	33	42%	0.417	19%	0.189	S	C	.	.	H	α-helix	trans	-64.9	-32.5	-171.4	51.2	0	0	0	0	113.3	G109 Q114 H115 N139	G109-T111 PolarHBondContact O-N 3.19Å; T111-Q114 WeakPolarHBondContact O-CB 3.43Å; T111-Q114 PolarHBondContact O-N 2.95Å; T111-H115 WeakPolarHBondContact O-CB 3.34Å; T111-H115 PolarHBondContact O-N 3.19Å; T111-N139 PolarHBondContact N-OD1 2.76Å; T111-N139 PolarHBondContact OG1-ND2 3.16Å; T111-N139 PolarHBondContact OG1-OD1 3.04Å
112	T	97.7	Very high	95.7	Very high	26 Å²	26	33.1 Å²	33.1	16%	0.16	19%	0.189	C	C	.	.	H	α-helix	trans	-67.9	-45.7	176.5	-52.8	0	0	0	0	110.8	A110 Q114 H115 Y116 N139 W142	A110-T112 VanDerWaalsContact C-N 3.32Å; A110-T112 PolarHBondContact O-N 2.91Å; T112-Q114 VanDerWaalsContact C-N 3.29Å; T112-Q114 PolarHBondContact O-N 3.07Å; T112-H115 PolarHBondContact O-N 3.4Å; T112-Y116 HydrophobicContact CG2-CD2 3.9Å; T112-Y116 HydrophobicContact CG2-CE2 3.41Å; T112-Y116 VanDerWaalsContact CG2-CE2 3.41Å; T112-Y116 WeakPolarHBondContact O-CD2 3.39Å; T112-Y116 PolarHBondContact O-N 3.15Å; T112-N139 VanDerWaalsContact CB-OD1 3.32Å; T112-N139 WeakPolarHBondContact CB-OD1 3.43Å; T112-N139 PolarHBondContact N-OD1 3.09Å; T112-N139 PolarHBondContact OG1-OD1 2.91Å; T112-W142 HydrophobicContact CG2-CB 3.84Å; T112-W142 HydrophobicContact CG2-CD2 4.4Å; T112-W142 HydrophobicContact CG2-CG 3.69Å
113	T	98.3	Very high	95.6	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-37.8	173.5	-57.5	0	0	0	0	111.7	L105 A110 S117 Y134 A136 P137 W142	L105-T113 HydrophobicContact CD1-CG2 4.32Å; L105-T113 HydrophobicContact CD2-CG2 4.27Å; A110-T113 PolarHBondContact O-N 3.47Å; T113-S117 WeakPolarHBondContact O-CB 3.19Å; T113-S117 PolarHBondContact O-N 3.44Å; T113-S117 PolarHBondContact O-OG 3Å; T113-Y134 HydrophobicContact CG2-CE2 3.82Å; T113-A136 HydrophobicContact CG2-CB 4Å; T113-P137 PolarHBondContact OG1-O 3.22Å; T113-W142 PolarHBondContact OG1-NE1 3.26Å
114	Q	98.1	Very high	95.6	Very high	39 Å²	39	42.9 Å²	42.9	18%	0.182	23%	0.23	C	C	.	.	H	α-helix	trans	-61.3	-50.5	173.4	-168.7	178.8	28.5	0	0	111.3	Y102 L105 A110 T111 T112 Y116 S117 D118	Y102-Q114 HydrophobicContact CD2-CG 4Å; Y102-Q114 HydrophobicContact CE1-CG 4.18Å; Y102-Q114 HydrophobicContact CE2-CG 3.5Å; Y102-Q114 VanDerWaalsContact CE2-CG 3.5Å; Y102-Q114 WeakPolarHBondContact CE2-O 3.35Å; Y102-Q114 PolarHBondContact O-NE2 3.19Å; L105-Q114 HydrophobicContact CB-CB 3.82Å; L105-Q114 HydrophobicContact CB-CG 4.14Å; L105-Q114 HydrophobicContact CD1-CB 4.22Å; A110-Q114 PolarHBondContact O-N 3.39Å; T111-Q114 WeakPolarHBondContact O-CB 3.43Å; T111-Q114 PolarHBondContact O-N 2.95Å; T112-Q114 VanDerWaalsContact C-N 3.29Å; T112-Q114 PolarHBondContact O-N 3.07Å; Q114-Y116 PolarHBondContact O-N 2.96Å; Q114-S117 WeakPolarHBondContact O-CB 3.31Å; Q114-S117 PolarHBondContact O-N 3.05Å; Q114-S117 VanDerWaalsContact O-N 3.14Å; Q114-D118 PolarHBondContact O-N 3.41Å; Q114-D118 VanDerWaalsContact O-N 3.07Å
115	H	97.8	Very high	95.7	Very high	118 Å²	118	46.2 Å²	46.2	55%	0.546	25%	0.245	S	C	.	.	H	α-helix	trans	-60.3	-44.2	178.6	-179.1	60.9	0	0	0	112.5	T111 T112 S117 D118 A119	T111-H115 WeakPolarHBondContact O-CB 3.34Å; T111-H115 PolarHBondContact O-N 3.19Å; T112-H115 PolarHBondContact O-N 3.4Å; H115-S117 VanDerWaalsContact C-N 3.3Å; H115-S117 PolarHBondContact O-N 3.42Å; H115-D118 WeakPolarHBondContact O-CB 3.49Å; H115-D118 PolarHBondContact O-N 3Å; H115-D118 VanDerWaalsContact O-N 3.16Å; H115-A119 PolarHBondContact O-N 3.24Å
116	Y	97.9	Very high	95.7	Very high	13 Å²	13	46.2 Å²	46.2	5%	0.051	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-31.9	175.8	-71.3	-33.2	0	0	0	113.2	T112 Q114 D118 S120 W142 R150 E154 L161 L165	T112-Y116 HydrophobicContact CG2-CD2 3.9Å; T112-Y116 HydrophobicContact CG2-CE2 3.41Å; T112-Y116 VanDerWaalsContact CG2-CE2 3.41Å; T112-Y116 WeakPolarHBondContact O-CD2 3.39Å; T112-Y116 PolarHBondContact O-N 3.15Å; Q114-Y116 PolarHBondContact O-N 2.96Å; Y116-D118 VanDerWaalsContact C-N 3.32Å; Y116-S120 VanDerWaalsContact O-CB 3.3Å; Y116-S120 WeakPolarHBondContact O-CB 3.45Å; Y116-S120 PolarHBondContact O-N 3.14Å; Y116-S120 PolarHBondContact O-OG 3.15Å; Y116-W142 AromaticContact CD2-CD2 3.95Å; Y116-W142 HydrophobicContact CD2-CD2 3.95Å; Y116-W142 AromaticContact CD2-CE2 3.71Å; Y116-W142 HydrophobicContact CD2-CE3 4.17Å; Y116-W142 HydrophobicContact CD2-CH2 4Å; Y116-W142 AromaticContact CD2-CZ2 3.76Å; Y116-W142 HydrophobicContact CD2-CZ2 3.76Å; Y116-W142 HydrophobicContact CD2-CZ3 4.2Å; Y116-W142 AromaticContact CE2-CD2 3.59Å; Y116-W142 HydrophobicContact CE2-CD2 3.59Å; Y116-W142 AromaticContact CE2-CE2 3.88Å; Y116-W142 AromaticContact CE2-CE3 3.62Å; Y116-W142 HydrophobicContact CE2-CE3 3.62Å; Y116-W142 HydrophobicContact CE2-CG 4.1Å; Y116-W142 HydrophobicContact CE2-CH2 4.23Å; Y116-W142 HydrophobicContact CE2-CZ2 4.21Å; Y116-W142 AromaticContact CE2-CZ3 3.95Å; Y116-W142 HydrophobicContact CE2-CZ3 3.95Å; Y116-R150 PolarHBondContact OH-NE 3.22Å; Y116-R150 VanDerWaalsContact OH-NE 3.09Å; Y116-R150 PolarHBondContact OH-NH2 3.44Å; Y116-E154 HydrophobicContact CE1-CG 3.9Å; Y116-E154 PolarHBondContact OH-OE1 3.36Å; Y116-L161 HydrophobicContact CD1-CD1 4.37Å; Y116-L161 HydrophobicContact CD1-CD2 3.82Å; Y116-L161 HydrophobicContact CD2-CD1 4.34Å; Y116-L161 HydrophobicContact CG-CD1 4.01Å; Y116-L161 HydrophobicContact CG-CD2 4.05Å; Y116-L165 WeakPolarHBondContact O-CD1 3.49Å
117	S	97.6	Very high	95.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-67	-33.8	173.1	-58.5	0	0	0	0	112.1	T113 Q114 H115 S120 L122 R123 Y134	T113-S117 WeakPolarHBondContact O-CB 3.19Å; T113-S117 PolarHBondContact O-N 3.44Å; T113-S117 PolarHBondContact O-OG 3Å; Q114-S117 WeakPolarHBondContact O-CB 3.31Å; Q114-S117 PolarHBondContact O-N 3.05Å; Q114-S117 VanDerWaalsContact O-N 3.14Å; H115-S117 VanDerWaalsContact C-N 3.3Å; H115-S117 PolarHBondContact O-N 3.42Å; S117-S120 PolarHBondContact O-OG 3.37Å; S117-L122 WeakPolarHBondContact O-CB 3.29Å; S117-L122 PolarHBondContact O-N 3.44Å; S117-R123 PolarHBondContact O-N 2.93Å; S117-Y134 PolarHBondContact OG-OH 3.24Å
118	D	96.6	Very high	96.1	Very high	69 Å²	69	47.1 Å²	47.1	37%	0.369	25%	0.249	S	C	.	.	H	α-helix	trans	-70.1	-49.9	173.5	-166.4	55.4	0	0	0	110.9	Y102 Q114 H115 Y116 S120 K121 R123	Y102-D118 HydrophobicContact CE2-CB 4.13Å; Q114-D118 PolarHBondContact O-N 3.41Å; Q114-D118 VanDerWaalsContact O-N 3.07Å; H115-D118 WeakPolarHBondContact O-CB 3.49Å; H115-D118 PolarHBondContact O-N 3Å; H115-D118 VanDerWaalsContact O-N 3.16Å; Y116-D118 VanDerWaalsContact C-N 3.32Å; D118-S120 VanDerWaalsContact C-N 3.28Å; D118-S120 PolarHBondContact O-N 3.32Å; D118-K121 PolarHBondContact O-N 2.86Å; D118-K121 VanDerWaalsContact O-N 3.16Å; D118-R123 WeakPolarHBondContact OD1-CD 3.4Å; D118-R123 IonicContact OD1-CZ 3.77Å; D118-R123 IonicContact OD1-NE 3.43Å; D118-R123 IonicContact OD1-NH1 3.77Å; D118-R123 PolarHBondContact OD1-NH1 3.14Å
119	A	95.7	Very high	96.3	Very high	37 Å²	37	55.8 Å²	55.8	31%	0.306	29%	0.285	S	S	.	.	H	α-helix	trans	-62.3	-31.4	-178.5	0	0	0	0	0	113.9	H115 V157	H115-A119 PolarHBondContact O-N 3.24Å; A119-V157 HydrophobicContact CB-CG1 4.49Å
120	S	95.3	Very high	96.4	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.007	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	1.5	179.9	58.9	0	0	0	0	114.5	Y116 S117 D118 L122 V157 L165	Y116-S120 VanDerWaalsContact O-CB 3.3Å; Y116-S120 WeakPolarHBondContact O-CB 3.45Å; Y116-S120 PolarHBondContact O-N 3.14Å; Y116-S120 PolarHBondContact O-OG 3.15Å; S117-S120 PolarHBondContact O-OG 3.37Å; D118-S120 VanDerWaalsContact C-N 3.28Å; D118-S120 PolarHBondContact O-N 3.32Å; S120-L122 PolarHBondContact O-N 3.09Å; S120-V157 WeakPolarHBondContact CA-O 3.46Å; S120-V157 VanDerWaalsContact CB-O 3.28Å; S120-V157 WeakPolarHBondContact CB-O 3.43Å; S120-L165 WeakPolarHBondContact OG-CD1 3.29Å
121	K	94.6	Very high	96.5	Very high	140 Å²	140	58.7 Å²	58.7	61%	0.609	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	10.2	-172.3	-50.4	179.9	-178.7	177.3	0	115.2	D118 R123	D118-K121 PolarHBondContact O-N 2.86Å; D118-K121 VanDerWaalsContact O-N 3.16Å; K121-R123 PolarHBondContact O-N 2.67Å
122	L	96.8	Very high	96.5	Very high	1 Å²	1	56 Å²	56	1%	0.005	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-29.8	173.2	178.9	60.5	0	0	0	111.9	S117 S120 E124 E125 I126 Y134 L162 L165 H166 M169	S117-L122 WeakPolarHBondContact O-CB 3.29Å; S117-L122 PolarHBondContact O-N 3.44Å; S120-L122 PolarHBondContact O-N 3.09Å; L122-E124 VanDerWaalsContact C-N 3.31Å; L122-E124 PolarHBondContact O-N 3.37Å; L122-E125 HydrophobicContact CD1-CB 4.42Å; L122-E125 WeakPolarHBondContact CD1-OE2 3.27Å; L122-E125 WeakPolarHBondContact O-CB 3.33Å; L122-E125 PolarHBondContact O-N 3.1Å; L122-I126 HydrophobicContact CD1-CG2 4.2Å; L122-I126 HydrophobicContact CG-CD1 4.39Å; L122-I126 HydrophobicContact CG-CG1 4.43Å; L122-I126 HydrophobicContact CG-CG2 4.27Å; L122-I126 WeakPolarHBondContact O-CG1 3.39Å; L122-I126 PolarHBondContact O-N 3.3Å; L122-Y134 HydrophobicContact CD2-CE1 3.91Å; L122-L162 HydrophobicContact CB-CD1 3.85Å; L122-L162 HydrophobicContact CD1-CD1 4.22Å; L122-L165 HydrophobicContact CD2-CB 3.64Å; L122-L165 HydrophobicContact CD2-CD1 3.96Å; L122-L165 HydrophobicContact CD2-CG 4.47Å; L122-H166 VanDerWaalsContact CD1-NE2 3.32Å; L122-H166 WeakPolarHBondContact CD1-NE2 3.42Å; L122-M169 HydrophobicContact CD1-CE 4.29Å; L122-M169 HydrophobicContact CD1-SD 3.93Å; L122-M169 HydrophobicContact CD2-SD 3.67Å; L122-M169 HydrophobicContact CG-SD 4.29Å
123	R	97.1	Very high	96.6	Very high	84 Å²	84	54.8 Å²	54.8	32%	0.317	28%	0.282	S	S	.	.	H	α-helix	trans	-46.5	-49.9	-178.2	176.1	175.9	-178.8	177.9	-0.8	113.6	Y102 S117 D118 K121 E125 I126 E127	Y102-R123 HydrophobicContact CD1-CG 4.09Å; Y102-R123 HydrophobicContact CD2-CB 4.05Å; Y102-R123 HydrophobicContact CD2-CG 3.78Å; Y102-R123 HydrophobicContact CE1-CG 4.2Å; Y102-R123 VanDerWaalsContact CE1-NE 3.32Å; Y102-R123 HydrophobicContact CE2-CB 4.09Å; Y102-R123 HydrophobicContact CE2-CG 3.86Å; Y102-R123 HydrophobicContact CG-CG 3.89Å; S117-R123 PolarHBondContact O-N 2.93Å; D118-R123 WeakPolarHBondContact OD1-CD 3.4Å; D118-R123 IonicContact OD1-CZ 3.77Å; D118-R123 IonicContact OD1-NE 3.43Å; D118-R123 IonicContact OD1-NH1 3.77Å; D118-R123 PolarHBondContact OD1-NH1 3.14Å; K121-R123 PolarHBondContact O-N 2.67Å; R123-E125 PolarHBondContact O-N 3.18Å; R123-I126 WeakPolarHBondContact O-CG1 3.34Å; R123-I126 PolarHBondContact O-N 3.13Å; R123-I126 VanDerWaalsContact O-N 3.15Å; R123-E127 HydrophobicContact CG-CG 3.98Å; R123-E127 IonicContact CZ-OE1 3.18Å; R123-E127 IonicContact NE-OE1 3.93Å; R123-E127 PolarHBondContact NE-OE1 3.45Å; R123-E127 IonicContact NE-OE2 2.89Å; R123-E127 IonicContact NH2-OE1 2.77Å; R123-E127 PolarHBondContact NH2-OE1 2.87Å; R123-E127 WeakPolarHBondContact O-CB 3.3Å; R123-E127 WeakPolarHBondContact O-CG 3.5Å; R123-E127 PolarHBondContact O-N 3.26Å
124	E	95.3	Very high	96.6	Very high	155 Å²	155	54.8 Å²	54.8	72%	0.724	28%	0.282	S	S	*	.	H	α-helix	trans	-59.4	-35.3	-176.4	-63.3	179.2	-168	0	0	112.2	L122 G128	L122-E124 VanDerWaalsContact C-N 3.31Å; L122-E124 PolarHBondContact O-N 3.37Å; E124-G128 PolarHBondContact O-N 3.24Å; E124-G128 VanDerWaalsContact O-N 3.15Å
125	E	96.8	Very high	96.6	Very high	75 Å²	75	53 Å²	53	35%	0.35	27%	0.273	S	S	.	.	H	α-helix	trans	-68.7	-47.1	176.7	-177.1	177.7	-164.2	0	0	111.5	L122 R123 G128 F132 H166 M188	L122-E125 HydrophobicContact CD1-CB 4.42Å; L122-E125 WeakPolarHBondContact CD1-OE2 3.27Å; L122-E125 WeakPolarHBondContact O-CB 3.33Å; L122-E125 PolarHBondContact O-N 3.1Å; R123-E125 PolarHBondContact O-N 3.18Å; E125-G128 PolarHBondContact O-N 2.84Å; E125-F132 HydrophobicContact CG-CE1 4.28Å; E125-F132 HydrophobicContact CG-CZ 4.01Å; E125-H166 IonicContact OE2-CD2 3.4Å; E125-H166 IonicContact OE2-CE1 3.59Å; E125-H166 IonicContact OE2-NE2 3.18Å; E125-H166 PolarHBondContact OE2-NE2 3.21Å; E125-M188 WeakPolarHBondContact OE1-CE 3.31Å
126	I	97	Very high	96.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-85.6	-5.9	-175.4	58.8	164.4	0	0	0	114.4	V101 Y102 L105 L122 R123 Y134 M169 N220	V101-I126 HydrophobicContact CB-CB 4.16Å; V101-I126 HydrophobicContact CG1-CB 4.12Å; V101-I126 HydrophobicContact CG1-CD1 4.32Å; V101-I126 HydrophobicContact CG1-CG2 4.39Å; V101-I126 PolarHBondContact N-O 3.28Å; Y102-I126 HydrophobicContact CD2-CD1 4.04Å; Y102-I126 HydrophobicContact CG-CD1 4.39Å; L105-I126 HydrophobicContact CD1-CD1 4.32Å; L122-I126 HydrophobicContact CD1-CG2 4.2Å; L122-I126 HydrophobicContact CG-CD1 4.39Å; L122-I126 HydrophobicContact CG-CG1 4.43Å; L122-I126 HydrophobicContact CG-CG2 4.27Å; L122-I126 WeakPolarHBondContact O-CG1 3.39Å; L122-I126 PolarHBondContact O-N 3.3Å; R123-I126 WeakPolarHBondContact O-CG1 3.34Å; R123-I126 PolarHBondContact O-N 3.13Å; R123-I126 VanDerWaalsContact O-N 3.15Å; I126-Y134 HydrophobicContact CD1-CD1 4.41Å; I126-Y134 HydrophobicContact CD1-CE1 4.04Å; I126-M169 HydrophobicContact CG2-CE 3.25Å; I126-M169 HydrophobicContact CG2-SD 4.31Å; I126-N220 PolarHBondContact O-ND2 2.88Å
127	E	97.2	Very high	96.6	Very high	69 Å²	69	46.7 Å²	46.7	32%	0.322	24%	0.244	S	C	.	.	H	α-helix	trans	-87	-28.6	160.3	-67.7	-168.8	164.6	0	0	111.7	H100 Y102 R123	H100-E127 IonicContact CE1-OE1 3.74Å; H100-E127 IonicContact NE2-OE1 3.51Å; Y102-E127 HydrophobicContact CD1-CG 4.33Å; Y102-E127 VanDerWaalsContact CD1-OE1 3.27Å; Y102-E127 WeakPolarHBondContact CD1-OE1 3.48Å; Y102-E127 HydrophobicContact CG-CG 4.31Å; R123-E127 HydrophobicContact CG-CG 3.98Å; R123-E127 IonicContact CZ-OE1 3.18Å; R123-E127 IonicContact NE-OE1 3.93Å; R123-E127 PolarHBondContact NE-OE1 3.45Å; R123-E127 IonicContact NE-OE2 2.89Å; R123-E127 IonicContact NH2-OE1 2.77Å; R123-E127 PolarHBondContact NH2-OE1 2.87Å; R123-E127 WeakPolarHBondContact O-CB 3.3Å; R123-E127 WeakPolarHBondContact O-CG 3.5Å; R123-E127 PolarHBondContact O-N 3.26Å
128	G	93.2	Very high	96.6	Very high	32 Å²	32	47.1 Å²	47.1	33%	0.33	25%	0.247	S	C	.	.	S	Bend	trans	-76.5	-166.3	-174.9	0	0	0	0	0	115.6	E124 E125 N220	E124-G128 PolarHBondContact O-N 3.24Å; E124-G128 VanDerWaalsContact O-N 3.15Å; E125-G128 PolarHBondContact O-N 2.84Å; G128-N220 PolarHBondContact O-ND2 2.91Å
129	K	93.8	Very high	96.5	Very high	207 Å²	207	45.8 Å²	45.8	90%	0.9	24%	0.24	S	C	*	.	S	Bend	trans	-71.1	137.5	178.8	58.7	-178.5	177.7	179.3	0	111.1
130	G	95.1	Very high	96.4	Very high	45 Å²	45	48.2 Å²	48.2	46%	0.464	25%	0.245	S	C	.	.	S	Bend	trans	155.1	-175.6	178.1	0	0	0	0	0	112	N220	G130-N220 WeakPolarHBondContact O-CB 3.18Å
131	S	97.3	Very high	96.4	Very high	54 Å²	54	48.4 Å²	48.4	38%	0.378	25%	0.247	S	C	.	.			trans	-139.1	104.3	172.9	-175.2	0	0	0	0	107.6	N171 K172 R173 N220	S131-N171 CarbonylContact O-C 3.53Å; S131-K172 CarbonylContact O-C 3.6Å; S131-K172 WeakPolarHBondContact O-CA 3.39Å; S131-K172 PolarHBondContact O-N 2.83Å; S131-R173 VanDerWaalsContact OG-CB 3.3Å; S131-R173 WeakPolarHBondContact OG-CB 3.48Å; S131-R173 PolarHBondContact OG-N 3.01Å; S131-N220 CarbonylContact C-O 3.52Å; S131-N220 WeakPolarHBondContact CA-O 3.39Å
132	F	98.1	Very high	96.5	Very high	12 Å²	12	41.8 Å²	41.8	5%	0.053	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	152.9	-171.6	-50.3	-79.2	0	0	0	112.2	V101 E125 M169 I170 M188 N220 G221 V222	V101-F132 HydrophobicContact CG2-CB 4.35Å; E125-F132 HydrophobicContact CG-CE1 4.28Å; E125-F132 HydrophobicContact CG-CZ 4.01Å; F132-M169 HydrophobicContact CB-CE 4.4Å; F132-M169 HydrophobicContact CD1-CE 4.13Å; F132-M169 HydrophobicContact CG-CE 4.37Å; F132-I170 CarbonylContact C-O 3.55Å; F132-I170 WeakPolarHBondContact CA-O 3.47Å; F132-M188 HydrophobicContact CD1-CE 4.1Å; F132-M188 HydrophobicContact CD1-SD 3.83Å; F132-M188 HydrophobicContact CE1-CE 3.91Å; F132-M188 HydrophobicContact CE1-SD 4.26Å; F132-N220 WeakPolarHBondContact CD2-O 3.05Å; F132-N220 PolarHBondContact N-O 2.76Å; F132-G221 CarbonylContact O-C 3.54Å; F132-G221 WeakPolarHBondContact O-CA 2.95Å; F132-V222 PolarHBondContact O-N 3.24Å
133	T	98.6	Very high	96.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	126.8	159	-61	0	0	0	0	107.9	F135 M169 I170 K172 R173 M174 V222	T133-F135 HydrophobicContact CG2-CE1 4.18Å; T133-F135 HydrophobicContact CG2-CE2 4.15Å; T133-F135 HydrophobicContact CG2-CZ 3.9Å; T133-M169 CarbonylContact O-C 3.51Å; T133-M169 VanDerWaalsContact O-CA 3.26Å; T133-M169 WeakPolarHBondContact O-CA 2.87Å; T133-I170 HydrophobicContact CG2-CD1 4.26Å; T133-I170 PolarHBondContact N-O 3.43Å; T133-I170 PolarHBondContact O-N 2.77Å; T133-K172 WeakPolarHBondContact CB-O 3.22Å; T133-K172 PolarHBondContact N-O 2.84Å; T133-K172 PolarHBondContact OG1-O 3.18Å; T133-R173 WeakPolarHBondContact OG1-CA 3.38Å; T133-M174 HydrophobicContact CG2-CB 4.35Å; T133-M174 WeakPolarHBondContact OG1-CB 3.36Å; T133-M174 PolarHBondContact OG1-N 3.02Å; T133-V222 WeakPolarHBondContact CA-O 3.28Å; T133-V222 HydrophobicContact CG2-CG1 3.96Å; T133-V222 WeakPolarHBondContact OG1-CG1 3.38Å
134	Y	98.4	Very high	96.1	Very high	0 Å²	0	49 Å²	49	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	113.8	178.3	-152.2	136.5	0	0	0	109.5	V101 L105 T113 S117 L122 I126 A136 L165 H168 M169 V222 V223 H224	V101-Y134 HydrophobicContact CG1-CD1 3.71Å; V101-Y134 HydrophobicContact CG1-CG 4.31Å; L105-Y134 HydrophobicContact CD1-CE1 4.32Å; L105-Y134 HydrophobicContact CD2-CG 4.48Å; T113-Y134 HydrophobicContact CG2-CE2 3.82Å; S117-Y134 PolarHBondContact OG-OH 3.24Å; L122-Y134 HydrophobicContact CD2-CE1 3.91Å; I126-Y134 HydrophobicContact CD1-CD1 4.41Å; I126-Y134 HydrophobicContact CD1-CE1 4.04Å; Y134-A136 VanDerWaalsContact C-N 3.35Å; Y134-A136 HydrophobicContact CD2-CB 4.11Å; Y134-A136 HydrophobicContact CE2-CB 4.49Å; Y134-A136 PolarHBondContact O-N 3.34Å; Y134-L165 WeakPolarHBondContact OH-CD2 3.21Å; Y134-H168 HydrophobicContact CE2-CB 4.22Å; Y134-M169 HydrophobicContact CD1-CE 4.11Å; Y134-M169 HydrophobicContact CD1-CG 3.79Å; Y134-M169 HydrophobicContact CD1-SD 3.78Å; Y134-M169 HydrophobicContact CD2-CG 4.01Å; Y134-M169 HydrophobicContact CE1-CE 4.34Å; Y134-M169 HydrophobicContact CE1-CG 3.96Å; Y134-M169 HydrophobicContact CE1-SD 3.57Å; Y134-M169 VanDerWaalsContact CE1-SD 3.57Å; Y134-M169 HydrophobicContact CE2-CG 4.14Å; Y134-M169 HydrophobicContact CG-CG 3.83Å; Y134-M169 HydrophobicContact CG-SD 4.44Å; Y134-V222 PolarHBondContact N-O 2.88Å; Y134-V223 WeakPolarHBondContact O-CA 3.47Å; Y134-H224 PolarHBondContact O-N 3.03Å
135	F	98.4	Very high	96.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	80.6	168.3	-60.7	-68.4	0	0	0	109.5	T133 P137 H168 I170 L179 L194 I196 V206 I211 H224 I226	T133-F135 HydrophobicContact CG2-CE1 4.18Å; T133-F135 HydrophobicContact CG2-CE2 4.15Å; T133-F135 HydrophobicContact CG2-CZ 3.9Å; F135-P137 VanDerWaalsContact O-CD 3.3Å; F135-P137 WeakPolarHBondContact O-CD 3.19Å; F135-H168 WeakPolarHBondContact CD2-O 3.38Å; F135-H168 PolarHBondContact N-O 3.21Å; F135-H168 PolarHBondContact O-CD2 2.88Å; F135-I170 HydrophobicContact CE2-CD1 3.5Å; F135-I170 HydrophobicContact CE2-CG1 4.13Å; F135-I170 HydrophobicContact CZ-CD1 3.93Å; F135-L179 HydrophobicContact CE1-CD1 3.85Å; F135-L179 HydrophobicContact CZ-CD1 4.08Å; F135-L179 HydrophobicContact CZ-CD2 4.14Å; F135-L194 HydrophobicContact CD2-CD1 4.18Å; F135-L194 HydrophobicContact CE2-CD1 4.05Å; F135-I196 HydrophobicContact CZ-CD1 4.33Å; F135-V206 HydrophobicContact CD1-CG2 3.72Å; F135-V206 HydrophobicContact CD2-CG1 4.24Å; F135-V206 HydrophobicContact CD2-CG2 4.43Å; F135-V206 HydrophobicContact CE1-CG2 3.55Å; F135-V206 HydrophobicContact CE2-CG1 4.29Å; F135-V206 HydrophobicContact CE2-CG2 4.25Å; F135-V206 HydrophobicContact CG-CG2 4.18Å; F135-V206 HydrophobicContact CZ-CG2 3.83Å; F135-I211 HydrophobicContact CD1-CD1 4.5Å; F135-I211 HydrophobicContact CE1-CD1 4.17Å; F135-H224 CarbonylContact C-O 3.52Å; F135-H224 WeakPolarHBondContact CA-O 3.25Å; F135-H224 HydrophobicContact CD1-CB 3.86Å; F135-H224 AromaticContact CD1-CD2 3.89Å; F135-H224 HydrophobicContact CE1-CB 4.25Å; F135-H224 AromaticContact CE1-CD2 3.54Å; F135-I226 HydrophobicContact CB-CD1 4.11Å; F135-I226 HydrophobicContact CB-CG2 4.1Å; F135-I226 HydrophobicContact CD1-CG2 4.33Å
136	A	98.1	Very high	95.9	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	118.6	-172.4	0	0	0	0	0	111.2	L105 A110 T113 Y134 V223 H224 V225 I226	L105-A136 HydrophobicContact CD2-CB 3.47Å; L105-A136 VanDerWaalsContact CD2-CB 3.47Å; A110-A136 HydrophobicContact CB-CB 4.1Å; T113-A136 HydrophobicContact CG2-CB 4Å; Y134-A136 VanDerWaalsContact C-N 3.35Å; Y134-A136 HydrophobicContact CD2-CB 4.11Å; Y134-A136 HydrophobicContact CE2-CB 4.49Å; Y134-A136 PolarHBondContact O-N 3.34Å; A136-V223 HydrophobicContact CB-CG1 3.95Å; A136-H224 PolarHBondContact N-O 2.97Å; A136-V225 CarbonylContact O-C 3.54Å; A136-V225 VanDerWaalsContact O-CA 3.26Å; A136-V225 WeakPolarHBondContact O-CA 3.3Å; A136-I226 PolarHBondContact O-N 3.19Å
137	P	98.3	Very high	95.7	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	142.3	171.4	-19.8	32.3	0	0	0	110.9	T113 F135 A141 W142 I226 V229	T113-P137 PolarHBondContact OG1-O 3.22Å; F135-P137 VanDerWaalsContact O-CD 3.3Å; F135-P137 WeakPolarHBondContact O-CD 3.19Å; P137-A141 HydrophobicContact CB-CB 3.75Å; P137-W142 HydrophobicContact CG-CZ2 4.17Å; P137-I226 HydrophobicContact CB-CG1 4.38Å; P137-I226 HydrophobicContact CG-CD1 4.31Å; P137-I226 HydrophobicContact CG-CG1 4.34Å; P137-V229 HydrophobicContact CB-CG2 3.83Å; P137-V229 HydrophobicContact CG-CB 4.4Å; P137-V229 HydrophobicContact CG-CG2 4.05Å
138	S	96.2	Very high	95.5	Very high	9 Å²	9	47.9 Å²	47.9	6%	0.063	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-67.8	168.9	172.7	87.7	0	0	0	0	111.3	E140 A141 W142 I226	S138-E140 VanDerWaalsContact C-N 3.29Å; S138-E140 WeakPolarHBondContact CB-OE2 3.48Å; S138-E140 PolarHBondContact O-N 3.37Å; S138-E140 PolarHBondContact OG-N 3.38Å; S138-E140 PolarHBondContact OG-OE2 2.89Å; S138-A141 VanDerWaalsContact O-CB 3.3Å; S138-A141 WeakPolarHBondContact O-CB 3.24Å; S138-A141 PolarHBondContact O-N 3.13Å; S138-A141 VanDerWaalsContact O-N 3.15Å; S138-A141 PolarHBondContact OG-N 3.34Å; S138-A141 VanDerWaalsContact OG-N 3.16Å; S138-W142 PolarHBondContact O-N 3.45Å; S138-I226 PolarHBondContact N-O 2.93Å
139	N	96	Very high	95.5	Very high	40 Å²	40	50.3 Å²	50.3	21%	0.214	28%	0.276	C	S	.	.	H	α-helix	trans	-60.5	-43.3	174.4	-67	-24.3	0	0	0	111	G109 T111 T112 A141 W142 D143	G109-N139 PolarHBondContact O-ND2 2.9Å; G109-N139 VanDerWaalsContact O-ND2 3.13Å; T111-N139 PolarHBondContact N-OD1 2.76Å; T111-N139 PolarHBondContact OG1-ND2 3.16Å; T111-N139 PolarHBondContact OG1-OD1 3.04Å; T112-N139 VanDerWaalsContact CB-OD1 3.32Å; T112-N139 WeakPolarHBondContact CB-OD1 3.43Å; T112-N139 PolarHBondContact N-OD1 3.09Å; T112-N139 PolarHBondContact OG1-OD1 2.91Å; N139-A141 PolarHBondContact O-N 3.12Å; N139-W142 PolarHBondContact O-N 3.29Å; N139-W142 VanDerWaalsContact O-N 3.16Å; N139-D143 PolarHBondContact O-N 3.02Å
140	E	93.4	Very high	95.5	Very high	89 Å²	89	43.1 Å²	43.1	42%	0.416	24%	0.243	S	C	.	.	H	α-helix	trans	-62.7	-32.8	175.7	-57.8	78.8	-174.8	0	0	112.2	S138 W142 D143 N144	S138-E140 VanDerWaalsContact C-N 3.29Å; S138-E140 WeakPolarHBondContact CB-OE2 3.48Å; S138-E140 PolarHBondContact O-N 3.37Å; S138-E140 PolarHBondContact OG-N 3.38Å; S138-E140 PolarHBondContact OG-OE2 2.89Å; E140-W142 VanDerWaalsContact C-N 3.33Å; E140-W142 PolarHBondContact O-N 2.92Å; E140-D143 PolarHBondContact O-N 2.82Å; E140-N144 WeakPolarHBondContact O-CB 3.48Å; E140-N144 PolarHBondContact O-N 3.21Å; E140-N144 PolarHBondContact O-ND2 3.31Å
141	A	95.2	Very high	95.4	Very high	4 Å²	4	47 Å²	47	3%	0.033	24%	0.243	C	C	.	.	H	α-helix	trans	-62.2	-41.4	175.9	0	0	0	0	0	111.7	P137 S138 N139 L145 D227 V229	P137-A141 HydrophobicContact CB-CB 3.75Å; S138-A141 VanDerWaalsContact O-CB 3.3Å; S138-A141 WeakPolarHBondContact O-CB 3.24Å; S138-A141 PolarHBondContact O-N 3.13Å; S138-A141 VanDerWaalsContact O-N 3.15Å; S138-A141 PolarHBondContact OG-N 3.34Å; S138-A141 VanDerWaalsContact OG-N 3.16Å; N139-A141 PolarHBondContact O-N 3.12Å; A141-L145 PolarHBondContact O-N 3.48Å; A141-D227 WeakPolarHBondContact CB-O 3.26Å; A141-V229 HydrophobicContact CB-CG2 4.41Å
142	W	96.3	Very high	95.1	Very high	1 Å²	1	46 Å²	46	0%	0.004	24%	0.242	C	C	.	.	H	α-helix	trans	-71.2	-34.2	174.5	-73.8	108.7	0	0	0	112.9	T112 T113 Y116 P137 S138 N139 E140 N144 L145 R150 L153 L161 L165 V229	T112-W142 HydrophobicContact CG2-CB 3.84Å; T112-W142 HydrophobicContact CG2-CD2 4.4Å; T112-W142 HydrophobicContact CG2-CG 3.69Å; T113-W142 PolarHBondContact OG1-NE1 3.26Å; Y116-W142 AromaticContact CD2-CD2 3.95Å; Y116-W142 HydrophobicContact CD2-CD2 3.95Å; Y116-W142 AromaticContact CD2-CE2 3.71Å; Y116-W142 HydrophobicContact CD2-CE3 4.17Å; Y116-W142 HydrophobicContact CD2-CH2 4Å; Y116-W142 AromaticContact CD2-CZ2 3.76Å; Y116-W142 HydrophobicContact CD2-CZ2 3.76Å; Y116-W142 HydrophobicContact CD2-CZ3 4.2Å; Y116-W142 AromaticContact CE2-CD2 3.59Å; Y116-W142 HydrophobicContact CE2-CD2 3.59Å; Y116-W142 AromaticContact CE2-CE2 3.88Å; Y116-W142 AromaticContact CE2-CE3 3.62Å; Y116-W142 HydrophobicContact CE2-CE3 3.62Å; Y116-W142 HydrophobicContact CE2-CG 4.1Å; Y116-W142 HydrophobicContact CE2-CH2 4.23Å; Y116-W142 HydrophobicContact CE2-CZ2 4.21Å; Y116-W142 AromaticContact CE2-CZ3 3.95Å; Y116-W142 HydrophobicContact CE2-CZ3 3.95Å; P137-W142 HydrophobicContact CG-CZ2 4.17Å; S138-W142 PolarHBondContact O-N 3.45Å; N139-W142 PolarHBondContact O-N 3.29Å; N139-W142 VanDerWaalsContact O-N 3.16Å; E140-W142 VanDerWaalsContact C-N 3.33Å; E140-W142 PolarHBondContact O-N 2.92Å; W142-N144 VanDerWaalsContact C-N 3.31Å; W142-L145 HydrophobicContact CE3-CD2 3.82Å; W142-L145 HydrophobicContact CZ3-CD2 3.76Å; W142-L145 WeakPolarHBondContact O-CB 3.47Å; W142-L145 PolarHBondContact O-N 3.25Å; W142-R150 VanDerWaalsContact C-NH1 3.33Å; W142-R150 PolarHBondContact O-NH1 3.43Å; W142-L153 HydrophobicContact CH2-CD1 4.36Å; W142-L153 HydrophobicContact CZ3-CD1 3.89Å; W142-L161 HydrophobicContact CH2-CD1 4.42Å; W142-L165 HydrophobicContact CH2-CD2 4.34Å; W142-L165 HydrophobicContact CZ2-CD2 3.95Å; W142-V229 HydrophobicContact CD2-CG2 3.61Å; W142-V229 HydrophobicContact CE3-CG1 4.47Å; W142-V229 HydrophobicContact CE3-CG2 3.61Å; W142-V229 HydrophobicContact CG-CG2 4.12Å; W142-V229 HydrophobicContact CH2-CG1 3.92Å; W142-V229 HydrophobicContact CH2-CG2 4.26Å; W142-V229 HydrophobicContact CZ2-CG1 4.41Å; W142-V229 HydrophobicContact CZ2-CG2 4.27Å; W142-V229 HydrophobicContact CZ3-CG1 3.96Å; W142-V229 HydrophobicContact CZ3-CG2 3.95Å
143	D	94.5	Very high	94.9	Very high	103 Å²	103	46.5 Å²	46.5	55%	0.551	25%	0.245	S	C	*	.	H	α-helix	trans	-70	-30.3	176.1	-65.7	-22	0	0	0	112.6	N139 E140 L145 R150	N139-D143 PolarHBondContact O-N 3.02Å; E140-D143 PolarHBondContact O-N 2.82Å; D143-L145 VanDerWaalsContact C-N 3.34Å; D143-R150 IonicContact OD1-CZ 2.91Å; D143-R150 IonicContact OD1-NH1 3.6Å; D143-R150 PolarHBondContact OD1-NH1 3.24Å; D143-R150 IonicContact OD1-NH2 3.58Å
144	N	91.9	Very high	94.6	Very high	134 Å²	134	50.4 Å²	50.4	72%	0.717	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.7	175.5	-66.6	-31.3	0	0	0	113.4	E140 W142	E140-N144 WeakPolarHBondContact O-CB 3.48Å; E140-N144 PolarHBondContact O-N 3.21Å; E140-N144 PolarHBondContact O-ND2 3.31Å; W142-N144 VanDerWaalsContact C-N 3.31Å
145	L	93.5	Very high	94.4	Very high	25 Å²	25	55.3 Å²	55.3	13%	0.131	30%	0.297	C	S	.	.	S	Bend	trans	-68.9	142.7	174.9	-174.2	62.1	0	0	0	109.4	A141 W142 D143 S147 I149 R150 L153 V229	A141-L145 PolarHBondContact O-N 3.48Å; W142-L145 HydrophobicContact CE3-CD2 3.82Å; W142-L145 HydrophobicContact CZ3-CD2 3.76Å; W142-L145 WeakPolarHBondContact O-CB 3.47Å; W142-L145 PolarHBondContact O-N 3.25Å; D143-L145 VanDerWaalsContact C-N 3.34Å; L145-S147 PolarHBondContact O-N 3.38Å; L145-I149 HydrophobicContact CD1-CB 4.49Å; L145-I149 HydrophobicContact CD1-CG2 4.17Å; L145-I149 HydrophobicContact CD2-CG2 4.15Å; L145-I149 HydrophobicContact CG-CB 4.4Å; L145-I149 HydrophobicContact CG-CG2 4.28Å; L145-R150 HydrophobicContact CD2-CB 4.12Å; L145-R150 HydrophobicContact CG-CB 4.44Å; L145-L153 HydrophobicContact CD2-CD1 4.09Å; L145-V229 HydrophobicContact CB-CG2 4.45Å; L145-V229 HydrophobicContact CD1-CB 4.24Å; L145-V229 HydrophobicContact CD2-CB 4.43Å; L145-V229 HydrophobicContact CD2-CG1 4.3Å; L145-V229 HydrophobicContact CD2-CG2 4.3Å
146	D	93.6	Very high	94.1	Very high	82 Å²	82	58 Å²	58	44%	0.439	31%	0.312	S	S	.	.			trans	-52.1	136.8	175.6	177	-93.1	0	0	0	111.4	D148 I149 R150	D146-D148 VanDerWaalsContact C-N 3.3Å; D146-D148 PolarHBondContact O-N 2.86Å; D146-D148 WeakPolarHBondContact OD1-CA 3.48Å; D146-D148 WeakPolarHBondContact OD1-CB 3.33Å; D146-D148 PolarHBondContact OD1-N 3.4Å; D146-I149 HydrophobicContact CB-CB 4.24Å; D146-I149 HydrophobicContact CB-CD1 3.92Å; D146-I149 HydrophobicContact CB-CG1 3.96Å; D146-I149 PolarHBondContact O-N 2.92Å; D146-I149 PolarHBondContact OD1-N 2.85Å; D146-I149 VanDerWaalsContact OD1-N 3.11Å; D146-R150 WeakPolarHBondContact O-CB 3.47Å; D146-R150 PolarHBondContact O-N 3.34Å
147	S	92.7	Very high	93.8	Very high	61 Å²	61	60.1 Å²	60.1	43%	0.427	32%	0.324	S	S	.	.	H	α-helix	trans	-68.5	-29.8	-170.1	81.1	0	0	0	0	113	L145 R151	L145-S147 PolarHBondContact O-N 3.38Å; S147-R151 WeakPolarHBondContact O-CB 3.33Å; S147-R151 VanDerWaalsContact O-CG 3.31Å; S147-R151 WeakPolarHBondContact O-CG 3.21Å; S147-R151 PolarHBondContact O-N 3.47Å; S147-R151 VanDerWaalsContact O-N 3.08Å; S147-R151 PolarHBondContact O-NH1 3.34Å; S147-R151 PolarHBondContact OG-NH1 3.32Å; S147-R151 PolarHBondContact OG-NH2 3.01Å; S147-R151 VanDerWaalsContact OG-NH2 3.14Å
148	D	92.6	Very high	93.3	Very high	107 Å²	107	64.2 Å²	64.2	57%	0.572	35%	0.346	S	S	*	.	H	α-helix	trans	-74.5	-43.4	176.1	-70.3	-52.4	0	0	0	110.4	D146 R150 R151 G152	D146-D148 VanDerWaalsContact C-N 3.3Å; D146-D148 PolarHBondContact O-N 2.86Å; D146-D148 WeakPolarHBondContact OD1-CA 3.48Å; D146-D148 WeakPolarHBondContact OD1-CB 3.33Å; D146-D148 PolarHBondContact OD1-N 3.4Å; D148-R150 PolarHBondContact O-N 3.23Å; D148-R151 PolarHBondContact O-N 3.48Å; D148-R151 IonicContact OD1-CZ 2.95Å; D148-R151 IonicContact OD1-NE 3.69Å; D148-R151 IonicContact OD1-NH2 3.19Å; D148-R151 PolarHBondContact OD1-NH2 3.48Å; D148-R151 IonicContact OD2-NH2 2.87Å; D148-G152 PolarHBondContact O-N 3.01Å
149	I	92.6	Very high	93.1	Very high	84 Å²	84	67 Å²	67	43%	0.431	36%	0.363	S	S	.	.	H	α-helix	trans	-59.7	-47.9	174.5	-59.3	-179.5	0	0	0	110.2	L145 D146 R151 G152 L153	L145-I149 HydrophobicContact CD1-CB 4.49Å; L145-I149 HydrophobicContact CD1-CG2 4.17Å; L145-I149 HydrophobicContact CD2-CG2 4.15Å; L145-I149 HydrophobicContact CG-CB 4.4Å; L145-I149 HydrophobicContact CG-CG2 4.28Å; D146-I149 HydrophobicContact CB-CB 4.24Å; D146-I149 HydrophobicContact CB-CD1 3.92Å; D146-I149 HydrophobicContact CB-CG1 3.96Å; D146-I149 PolarHBondContact O-N 2.92Å; D146-I149 PolarHBondContact OD1-N 2.85Å; D146-I149 VanDerWaalsContact OD1-N 3.11Å; I149-R151 PolarHBondContact O-N 3.03Å; I149-G152 PolarHBondContact O-N 3.32Å; I149-L153 HydrophobicContact CG2-CD1 4.38Å; I149-L153 WeakPolarHBondContact O-CG 2.9Å; I149-L153 PolarHBondContact O-N 3.35Å
150	R	93.9	Very high	93	Very high	56 Å²	56	69.4 Å²	69.4	21%	0.211	37%	0.373	C	S	.	.	H	α-helix	trans	-60.4	-48.2	179.9	-174.2	173.1	178.2	166.9	0	111.9	Y116 W142 D143 L145 D146 D148 G152 L153 E154	Y116-R150 PolarHBondContact OH-NE 3.22Å; Y116-R150 VanDerWaalsContact OH-NE 3.09Å; Y116-R150 PolarHBondContact OH-NH2 3.44Å; W142-R150 VanDerWaalsContact C-NH1 3.33Å; W142-R150 PolarHBondContact O-NH1 3.43Å; D143-R150 IonicContact OD1-CZ 2.91Å; D143-R150 IonicContact OD1-NH1 3.6Å; D143-R150 PolarHBondContact OD1-NH1 3.24Å; D143-R150 IonicContact OD1-NH2 3.58Å; L145-R150 HydrophobicContact CD2-CB 4.12Å; L145-R150 HydrophobicContact CG-CB 4.44Å; D146-R150 WeakPolarHBondContact O-CB 3.47Å; D146-R150 PolarHBondContact O-N 3.34Å; D148-R150 PolarHBondContact O-N 3.23Å; R150-G152 VanDerWaalsContact C-N 3.29Å; R150-G152 PolarHBondContact O-N 2.97Å; R150-L153 PolarHBondContact O-N 3.14Å; R150-E154 IonicContact NE-OE1 2.76Å; R150-E154 PolarHBondContact NE-OE1 3.04Å; R150-E154 WeakPolarHBondContact O-CG 3.32Å; R150-E154 PolarHBondContact O-N 3.32Å
151	R	92.8	Very high	93.1	Very high	126 Å²	126	65.2 Å²	65.2	48%	0.475	35%	0.353	S	S	.	.	H	α-helix	trans	-61	-38.5	175.5	-77.7	-171.6	-64.7	-90.3	3.3	112.1	S147 D148 I149 E154 S155	S147-R151 WeakPolarHBondContact O-CB 3.33Å; S147-R151 VanDerWaalsContact O-CG 3.31Å; S147-R151 WeakPolarHBondContact O-CG 3.21Å; S147-R151 PolarHBondContact O-N 3.47Å; S147-R151 VanDerWaalsContact O-N 3.08Å; S147-R151 PolarHBondContact O-NH1 3.34Å; S147-R151 PolarHBondContact OG-NH1 3.32Å; S147-R151 PolarHBondContact OG-NH2 3.01Å; S147-R151 VanDerWaalsContact OG-NH2 3.14Å; D148-R151 PolarHBondContact O-N 3.48Å; D148-R151 IonicContact OD1-CZ 2.95Å; D148-R151 IonicContact OD1-NE 3.69Å; D148-R151 IonicContact OD1-NH2 3.19Å; D148-R151 PolarHBondContact OD1-NH2 3.48Å; D148-R151 IonicContact OD2-NH2 2.87Å; I149-R151 PolarHBondContact O-N 3.03Å; R151-E154 PolarHBondContact O-N 2.89Å; R151-S155 WeakPolarHBondContact O-CB 3.42Å; R151-S155 PolarHBondContact O-N 3.35Å; R151-S155 PolarHBondContact O-OG 2.98Å
152	G	92.3	Very high	93.1	Very high	33 Å²	33	66.9 Å²	66.9	34%	0.34	36%	0.362	S	S	.	.	H	α-helix	trans	-57.8	-48.9	175.4	0	0	0	0	0	111.9	D148 I149 R150 S155 N156	D148-G152 PolarHBondContact O-N 3.01Å; I149-G152 PolarHBondContact O-N 3.32Å; R150-G152 VanDerWaalsContact C-N 3.29Å; R150-G152 PolarHBondContact O-N 2.97Å; G152-S155 PolarHBondContact O-N 3.36Å; G152-S155 PolarHBondContact O-OG 3.47Å; G152-N156 PolarHBondContact O-N 3.23Å
153	L	93.6	Very high	93	Very high	23 Å²	23	68.5 Å²	68.5	12%	0.12	37%	0.37	C	S	.	.	H	α-helix	trans	-62.2	-44.9	176.4	-64.3	173.9	0	0	0	112.1	W142 L145 I149 R150 S155 N156 E160 L161 A164	W142-L153 HydrophobicContact CH2-CD1 4.36Å; W142-L153 HydrophobicContact CZ3-CD1 3.89Å; L145-L153 HydrophobicContact CD2-CD1 4.09Å; I149-L153 HydrophobicContact CG2-CD1 4.38Å; I149-L153 WeakPolarHBondContact O-CG 2.9Å; I149-L153 PolarHBondContact O-N 3.35Å; R150-L153 PolarHBondContact O-N 3.14Å; L153-S155 VanDerWaalsContact C-N 3.3Å; L153-S155 PolarHBondContact O-N 2.99Å; L153-N156 CarbonylContact O-C 3.56Å; L153-N156 PolarHBondContact O-N 3.17Å; L153-E160 HydrophobicContact CD2-CB 4.11Å; L153-L161 HydrophobicContact CB-CD1 4.16Å; L153-A164 HydrophobicContact CD2-CB 3.89Å
154	E	92.4	Very high	93.1	Very high	82 Å²	82	64.5 Å²	64.5	38%	0.383	35%	0.351	S	S	.	.	H	α-helix	trans	-65.9	-30.7	179.1	-71.4	174.2	176.2	0	0	113.1	Y116 R150 R151 N156 V157	Y116-E154 HydrophobicContact CE1-CG 3.9Å; Y116-E154 PolarHBondContact OH-OE1 3.36Å; R150-E154 IonicContact NE-OE1 2.76Å; R150-E154 PolarHBondContact NE-OE1 3.04Å; R150-E154 WeakPolarHBondContact O-CG 3.32Å; R150-E154 PolarHBondContact O-N 3.32Å; R151-E154 PolarHBondContact O-N 2.89Å; E154-N156 VanDerWaalsContact C-N 3.31Å; E154-N156 PolarHBondContact O-N 3.45Å; E154-V157 VanDerWaalsContact O-CG1 3.3Å; E154-V157 WeakPolarHBondContact O-CG1 3.22Å
155	S	93.1	Very high	93.3	Very high	102 Å²	102	58.1 Å²	58.1	71%	0.713	32%	0.317	S	S	*	.	H	α-helix	trans	-72.8	-23.9	178.4	74.4	0	0	0	0	113.4	R151 G152 L153	R151-S155 WeakPolarHBondContact O-CB 3.42Å; R151-S155 PolarHBondContact O-N 3.35Å; R151-S155 PolarHBondContact O-OG 2.98Å; G152-S155 PolarHBondContact O-N 3.36Å; G152-S155 PolarHBondContact O-OG 3.47Å; L153-S155 VanDerWaalsContact C-N 3.3Å; L153-S155 PolarHBondContact O-N 2.99Å
156	N	92.6	Very high	93.5	Very high	58 Å²	58	58.3 Å²	58.3	31%	0.31	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	69.1	-178.8	-169.1	-8.3	0	0	0	111.4	G152 L153 E154 N158 V159 E160 L161	G152-N156 PolarHBondContact O-N 3.23Å; L153-N156 CarbonylContact O-C 3.56Å; L153-N156 PolarHBondContact O-N 3.17Å; E154-N156 VanDerWaalsContact C-N 3.31Å; E154-N156 PolarHBondContact O-N 3.45Å; N156-N158 VanDerWaalsContact C-N 3.3Å; N156-N158 PolarHBondContact O-N 3.18Å; N156-V159 PolarHBondContact O-N 3.16Å; N156-V159 PolarHBondContact OD1-N 3.06Å; N156-E160 HydrophobicContact CB-CB 4.13Å; N156-E160 HydrophobicContact CB-CG 3.9Å; N156-E160 PolarHBondContact O-N 2.71Å; N156-L161 PolarHBondContact O-N 2.79Å
157	V	91.3	Very high	93.6	Very high	43 Å²	43	55 Å²	55	26%	0.261	30%	0.301	S	S	.	.	I	π-helix	trans	-64.9	-30.7	-175.5	-59.7	0	0	0	0	114.1	A119 S120 E154 L161 L162	A119-V157 HydrophobicContact CB-CG1 4.49Å; S120-V157 WeakPolarHBondContact CA-O 3.46Å; S120-V157 VanDerWaalsContact CB-O 3.28Å; S120-V157 WeakPolarHBondContact CB-O 3.43Å; E154-V157 VanDerWaalsContact O-CG1 3.3Å; E154-V157 WeakPolarHBondContact O-CG1 3.22Å; V157-L161 HydrophobicContact CB-CD2 4.13Å; V157-L161 HydrophobicContact CG1-CD2 3.98Å; V157-L162 PolarHBondContact O-N 3.06Å
158	N	89.4	Confident	93.9	Very high	87 Å²	87	52.1 Å²	52.1	47%	0.465	28%	0.28	S	S	.	.	I	π-helix	trans	-79.7	-22.1	-174.3	-68.9	-52.5	0	0	0	113.1	N156	N156-N158 VanDerWaalsContact C-N 3.3Å; N156-N158 PolarHBondContact O-N 3.18Å
159	V	91.8	Very high	94.1	Very high	68 Å²	68	47 Å²	47	41%	0.412	25%	0.253	S	S	.	.	I	π-helix	trans	-121.9	-67.9	-175.9	-176.5	0	0	0	0	110.2	N156 L162 N163	N156-V159 PolarHBondContact O-N 3.16Å; N156-V159 PolarHBondContact OD1-N 3.06Å; V159-L162 PolarHBondContact O-N 3.37Å; V159-N163 WeakPolarHBondContact O-CB 3.41Å; V159-N163 PolarHBondContact O-N 2.98Å; V159-N163 PolarHBondContact O-ND2 3.1Å; V159-N163 VanDerWaalsContact O-ND2 3.12Å; V159-N163 PolarHBondContact O-OD1 3.46Å
160	E	93	Very high	94.4	Very high	90 Å²	90	43.2 Å²	43.2	42%	0.421	23%	0.234	S	C	.	.	I	π-helix	trans	-66.1	-47	-172.3	-62.7	-58	150.3	0	0	112.1	L153 N156 N163 A164	L153-E160 HydrophobicContact CD2-CB 4.11Å; N156-E160 HydrophobicContact CB-CB 4.13Å; N156-E160 HydrophobicContact CB-CG 3.9Å; N156-E160 PolarHBondContact O-N 2.71Å; E160-N163 PolarHBondContact O-N 3.38Å; E160-A164 VanDerWaalsContact O-CB 3.29Å; E160-A164 WeakPolarHBondContact O-CB 3.15Å; E160-A164 PolarHBondContact O-N 3.46Å
161	L	95.3	Very high	94.5	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.249	C	C	.	.	I	π-helix	trans	-65.5	-45.4	177.6	-174.5	60.8	0	0	0	111.6	Y116 W142 L153 N156 V157 N163 A164 L165	Y116-L161 HydrophobicContact CD1-CD1 4.37Å; Y116-L161 HydrophobicContact CD1-CD2 3.82Å; Y116-L161 HydrophobicContact CD2-CD1 4.34Å; Y116-L161 HydrophobicContact CG-CD1 4.01Å; Y116-L161 HydrophobicContact CG-CD2 4.05Å; W142-L161 HydrophobicContact CH2-CD1 4.42Å; L153-L161 HydrophobicContact CB-CD1 4.16Å; N156-L161 PolarHBondContact O-N 2.79Å; V157-L161 HydrophobicContact CB-CD2 4.13Å; V157-L161 HydrophobicContact CG1-CD2 3.98Å; L161-N163 VanDerWaalsContact C-N 3.34Å; L161-N163 PolarHBondContact O-N 2.97Å; L161-A164 PolarHBondContact O-N 3.08Å; L161-L165 HydrophobicContact CD1-CG 4.33Å; L161-L165 HydrophobicContact CG-CD1 4.28Å; L161-L165 HydrophobicContact CG-CG 4.46Å; L161-L165 VanDerWaalsContact O-CG 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 3.42Å
162	L	95.9	Very high	94.7	Very high	39 Å²	39	45.8 Å²	45.8	20%	0.204	26%	0.255	C	S	.	.	H	α-helix	trans	-57.8	-48.2	177.5	-179.7	59.1	0	0	0	111.3	L122 V157 V159 A164 L165 H166	L122-L162 HydrophobicContact CB-CD1 3.85Å; L122-L162 HydrophobicContact CD1-CD1 4.22Å; V157-L162 PolarHBondContact O-N 3.06Å; V159-L162 PolarHBondContact O-N 3.37Å; L162-A164 PolarHBondContact O-N 2.83Å; L162-L165 PolarHBondContact O-N 3.03Å; L162-H166 PolarHBondContact O-N 2.75Å
163	N	94.8	Very high	94.9	Very high	34 Å²	34	49.4 Å²	49.4	18%	0.182	26%	0.258	C	S	.	.	H	α-helix	trans	-60.4	-44.8	177.8	-70.2	-16.1	0	0	0	111.7	V159 E160 L161 L165 H166 S167 Y189	V159-N163 WeakPolarHBondContact O-CB 3.41Å; V159-N163 PolarHBondContact O-N 2.98Å; V159-N163 PolarHBondContact O-ND2 3.1Å; V159-N163 VanDerWaalsContact O-ND2 3.12Å; V159-N163 PolarHBondContact O-OD1 3.46Å; E160-N163 PolarHBondContact O-N 3.38Å; L161-N163 VanDerWaalsContact C-N 3.34Å; L161-N163 PolarHBondContact O-N 2.97Å; N163-L165 PolarHBondContact O-N 2.87Å; N163-H166 PolarHBondContact O-N 2.89Å; N163-S167 PolarHBondContact O-N 3.22Å; N163-Y189 HydrophobicContact CB-CD2 3.65Å; N163-Y189 HydrophobicContact CB-CE1 4.32Å; N163-Y189 HydrophobicContact CB-CE2 3.38Å; N163-Y189 HydrophobicContact CB-CG 4.25Å; N163-Y189 VanDerWaalsContact OD1-CE2 3.25Å; N163-Y189 WeakPolarHBondContact OD1-CE2 3.43Å
164	A	94.9	Very high	95.1	Very high	19 Å²	19	50 Å²	50	16%	0.157	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-42.5	175.9	0	0	0	0	0	111.3	L153 E160 L161 L162 S167 H168	L153-A164 HydrophobicContact CD2-CB 3.89Å; E160-A164 VanDerWaalsContact O-CB 3.29Å; E160-A164 WeakPolarHBondContact O-CB 3.15Å; E160-A164 PolarHBondContact O-N 3.46Å; L161-A164 PolarHBondContact O-N 3.08Å; L162-A164 PolarHBondContact O-N 2.83Å; A164-S167 PolarHBondContact O-N 3.17Å; A164-S167 PolarHBondContact O-OG 2.93Å; A164-H168 PolarHBondContact O-CE1 2.76Å; A164-H168 PolarHBondContact O-ND1 3.4Å
165	L	97.2	Very high	95.2	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-69.3	-40.4	177.8	-64.3	-179.2	0	0	0	112.2	Y116 S120 L122 Y134 W142 L161 L162 N163 S167 H168 M169	Y116-L165 WeakPolarHBondContact O-CD1 3.49Å; S120-L165 WeakPolarHBondContact OG-CD1 3.29Å; L122-L165 HydrophobicContact CD2-CB 3.64Å; L122-L165 HydrophobicContact CD2-CD1 3.96Å; L122-L165 HydrophobicContact CD2-CG 4.47Å; Y134-L165 WeakPolarHBondContact OH-CD2 3.21Å; W142-L165 HydrophobicContact CH2-CD2 4.34Å; W142-L165 HydrophobicContact CZ2-CD2 3.95Å; L161-L165 HydrophobicContact CD1-CG 4.33Å; L161-L165 HydrophobicContact CG-CD1 4.28Å; L161-L165 HydrophobicContact CG-CG 4.46Å; L161-L165 VanDerWaalsContact O-CG 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.42Å; L161-L165 PolarHBondContact O-N 3.42Å; L162-L165 PolarHBondContact O-N 3.03Å; N163-L165 PolarHBondContact O-N 2.87Å; L165-S167 PolarHBondContact O-N 2.81Å; L165-H168 WeakPolarHBondContact O-CA 3.35Å; L165-H168 WeakPolarHBondContact O-CB 3.27Å; L165-H168 PolarHBondContact O-N 2.75Å; L165-M169 WeakPolarHBondContact O-CG 3.4Å
166	H	97	Very high	95.1	Very high	30 Å²	30	42.9 Å²	42.9	14%	0.139	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-29.9	173.2	-82.4	156.2	0	0	0	112.7	L122 E125 L162 N163 H168 M169 M188 Y189	L122-H166 VanDerWaalsContact CD1-NE2 3.32Å; L122-H166 WeakPolarHBondContact CD1-NE2 3.42Å; E125-H166 IonicContact OE2-CD2 3.4Å; E125-H166 IonicContact OE2-CE1 3.59Å; E125-H166 IonicContact OE2-NE2 3.18Å; E125-H166 PolarHBondContact OE2-NE2 3.21Å; L162-H166 PolarHBondContact O-N 2.75Å; N163-H166 PolarHBondContact O-N 2.89Å; H166-H168 PolarHBondContact O-N 2.76Å; H166-M169 PolarHBondContact O-N 3.32Å; H166-M169 VanDerWaalsContact O-N 3.09Å; H166-M188 HydrophobicContact CB-CB 4.18Å; H166-M188 PolarHBondContact O-N 3.06Å; H166-Y189 PolarHBondContact O-N 2.93Å
167	S	96.4	Very high	94.9	Very high	12 Å²	12	45.1 Å²	45.1	8%	0.084	22%	0.224	C	C	.	.	H	α-helix	trans	-67.4	-18.8	173.4	84.2	0	0	0	0	112.6	N163 A164 L165 M169 S187 L194	N163-S167 PolarHBondContact O-N 3.22Å; A164-S167 PolarHBondContact O-N 3.17Å; A164-S167 PolarHBondContact O-OG 2.93Å; L165-S167 PolarHBondContact O-N 2.81Å; S167-M169 VanDerWaalsContact C-N 3.34Å; S167-S187 WeakPolarHBondContact O-CB 3.43Å; S167-L194 WeakPolarHBondContact O-CD2 3.29Å
168	H	98.1	Very high	95.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.1	2.9	174	-66.7	65.6	0	0	0	113.3	Y134 F135 A164 L165 H166 L230	Y134-H168 HydrophobicContact CE2-CB 4.22Å; F135-H168 WeakPolarHBondContact CD2-O 3.38Å; F135-H168 PolarHBondContact N-O 3.21Å; F135-H168 PolarHBondContact O-CD2 2.88Å; A164-H168 PolarHBondContact O-CE1 2.76Å; A164-H168 PolarHBondContact O-ND1 3.4Å; L165-H168 WeakPolarHBondContact O-CA 3.35Å; L165-H168 WeakPolarHBondContact O-CB 3.27Å; L165-H168 PolarHBondContact O-N 2.75Å; H166-H168 PolarHBondContact O-N 2.76Å; H168-L230 PolarHBondContact CE1-N 3.11Å; H168-L230 PolarHBondContact CE1-O 2.83Å; H168-L230 VanDerWaalsContact CE1-O 3.32Å; H168-L230 WeakPolarHBondContact NE2-CB 3.22Å; H168-L230 PolarHBondContact NE2-N 2.87Å
169	M	98.2	Very high	95.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	150.1	-171.6	-67.2	174.7	66.4	0	0	113.2	L122 I126 F132 T133 Y134 L165 H166 S167 S187 M188	L122-M169 HydrophobicContact CD1-CE 4.29Å; L122-M169 HydrophobicContact CD1-SD 3.93Å; L122-M169 HydrophobicContact CD2-SD 3.67Å; L122-M169 HydrophobicContact CG-SD 4.29Å; I126-M169 HydrophobicContact CG2-CE 3.25Å; I126-M169 HydrophobicContact CG2-SD 4.31Å; F132-M169 HydrophobicContact CB-CE 4.4Å; F132-M169 HydrophobicContact CD1-CE 4.13Å; F132-M169 HydrophobicContact CG-CE 4.37Å; T133-M169 CarbonylContact O-C 3.51Å; T133-M169 VanDerWaalsContact O-CA 3.26Å; T133-M169 WeakPolarHBondContact O-CA 2.87Å; Y134-M169 HydrophobicContact CD1-CE 4.11Å; Y134-M169 HydrophobicContact CD1-CG 3.79Å; Y134-M169 HydrophobicContact CD1-SD 3.78Å; Y134-M169 HydrophobicContact CD2-CG 4.01Å; Y134-M169 HydrophobicContact CE1-CE 4.34Å; Y134-M169 HydrophobicContact CE1-CG 3.96Å; Y134-M169 HydrophobicContact CE1-SD 3.57Å; Y134-M169 VanDerWaalsContact CE1-SD 3.57Å; Y134-M169 HydrophobicContact CE2-CG 4.14Å; Y134-M169 HydrophobicContact CG-CG 3.83Å; Y134-M169 HydrophobicContact CG-SD 4.44Å; L165-M169 WeakPolarHBondContact O-CG 3.4Å; H166-M169 PolarHBondContact O-N 3.32Å; H166-M169 VanDerWaalsContact O-N 3.09Å; S167-M169 VanDerWaalsContact C-N 3.34Å; M169-S187 CarbonylContact O-C 3.56Å; M169-S187 WeakPolarHBondContact O-CA 3.49Å; M169-S187 WeakPolarHBondContact O-CB 3.29Å; M169-M188 HydrophobicContact CB-CB 4.3Å; M169-M188 HydrophobicContact CB-CG 4.13Å; M169-M188 HydrophobicContact CB-SD 3.68Å; M169-M188 HydrophobicContact CE-CE 4.28Å; M169-M188 HydrophobicContact CE-SD 3.84Å; M169-M188 PolarHBondContact O-N 2.86Å
170	I	98.2	Very high	95.4	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	139.7	170.1	-52.8	160.4	0	0	0	108.1	F132 T133 F135 K172 M174 I185 L194	F132-I170 CarbonylContact C-O 3.55Å; F132-I170 WeakPolarHBondContact CA-O 3.47Å; T133-I170 HydrophobicContact CG2-CD1 4.26Å; T133-I170 PolarHBondContact N-O 3.43Å; T133-I170 PolarHBondContact O-N 2.77Å; F135-I170 HydrophobicContact CE2-CD1 3.5Å; F135-I170 HydrophobicContact CE2-CG1 4.13Å; F135-I170 HydrophobicContact CZ-CD1 3.93Å; I170-K172 HydrophobicContact CG2-CB 4.39Å; I170-K172 PolarHBondContact O-N 3.48Å; I170-M174 HydrophobicContact CD1-CG 4.2Å; I170-I185 HydrophobicContact CD1-CB 4.32Å; I170-I185 HydrophobicContact CD1-CD1 4.03Å; I170-I185 HydrophobicContact CD1-CG2 3.69Å; I170-I185 HydrophobicContact CG1-CG2 3.87Å; I170-I185 HydrophobicContact CG2-CG2 3.85Å; I170-L194 HydrophobicContact CD1-CD1 4.46Å; I170-L194 HydrophobicContact CG1-CD1 3.96Å
171	N	96.9	Very high	95.4	Very high	101 Å²	101	44.6 Å²	44.6	54%	0.54	21%	0.214	S	C	.	.	S	Bend	trans	-77.9	23	178.1	68.8	-5.7	0	0	0	114.6	S131 M188	S131-N171 CarbonylContact O-C 3.53Å; N171-M188 HydrophobicContact CB-CG 4.04Å; N171-M188 HydrophobicContact CB-SD 4.13Å
172	K	96.8	Very high	95.2	Very high	136 Å²	136	46.8 Å²	46.8	59%	0.591	24%	0.237	S	C	*	.	S	Bend	trans	-144	149.3	174.8	-64.8	179.7	-174	173.1	0	109.3	S131 T133 I170 M174	S131-K172 CarbonylContact O-C 3.6Å; S131-K172 WeakPolarHBondContact O-CA 3.39Å; S131-K172 PolarHBondContact O-N 2.83Å; T133-K172 WeakPolarHBondContact CB-O 3.22Å; T133-K172 PolarHBondContact N-O 2.84Å; T133-K172 PolarHBondContact OG1-O 3.18Å; I170-K172 HydrophobicContact CG2-CB 4.39Å; I170-K172 PolarHBondContact O-N 3.48Å; K172-M174 PolarHBondContact O-N 3.39Å
173	R	97.1	Very high	95.1	Very high	108 Å²	108	48.2 Å²	48.2	41%	0.408	24%	0.243	S	C	.	.			trans	-73.2	119.5	169.7	178.7	175.7	168.7	-175	-4.6	111.4	S131 T133 V222	S131-R173 VanDerWaalsContact OG-CB 3.3Å; S131-R173 WeakPolarHBondContact OG-CB 3.48Å; S131-R173 PolarHBondContact OG-N 3.01Å; T133-R173 WeakPolarHBondContact OG1-CA 3.38Å; R173-V222 HydrophobicContact CG-CB 4.11Å; R173-V222 HydrophobicContact CG-CG1 3.82Å
174	M	96.6	Very high	95.1	Very high	37 Å²	37	51.3 Å²	51.3	18%	0.182	26%	0.259	C	S	.	.			trans	-127.5	114.3	-178.8	-65.2	-70.8	-62.8	0	0	109	T133 I170 K172 D178 L179 I185 V222 H224	T133-M174 HydrophobicContact CG2-CB 4.35Å; T133-M174 WeakPolarHBondContact OG1-CB 3.36Å; T133-M174 PolarHBondContact OG1-N 3.02Å; I170-M174 HydrophobicContact CD1-CG 4.2Å; K172-M174 PolarHBondContact O-N 3.39Å; M174-D178 HydrophobicContact CE-CB 3.75Å; M174-D178 HydrophobicContact SD-CB 4.35Å; M174-L179 HydrophobicContact CB-CD2 4.05Å; M174-L179 HydrophobicContact CE-CD2 4.15Å; M174-I185 HydrophobicContact CE-CD1 3.92Å; M174-V222 WeakPolarHBondContact O-CG1 3.5Å; M174-H224 PolarHBondContact O-NE2 3.16Å
175	L	93.9	Very high	95.1	Very high	33 Å²	33	51.3 Å²	51.3	17%	0.173	26%	0.256	C	S	.	.			trans	-84.8	165	174.5	-57.7	-180	0	0	0	110.3	K177 D178 L179 N215 I217 V222	L175-K177 HydrophobicContact CB-CG 4.12Å; L175-K177 PolarHBondContact O-N 2.85Å; L175-K177 VanDerWaalsContact O-N 3.07Å; L175-D178 WeakPolarHBondContact CB-OD2 3.38Å; L175-D178 PolarHBondContact N-OD2 3.48Å; L175-D178 WeakPolarHBondContact O-CA 3.47Å; L175-D178 WeakPolarHBondContact O-CB 3.33Å; L175-D178 PolarHBondContact O-N 3.22Å; L175-L179 WeakPolarHBondContact O-CG 3.28Å; L175-L179 PolarHBondContact O-N 2.84Å; L175-N215 WeakPolarHBondContact CA-OD1 3.24Å; L175-N215 WeakPolarHBondContact CB-OD1 3.47Å; L175-N215 HydrophobicContact CD2-CB 4.5Å; L175-I217 HydrophobicContact CD2-CD1 3.62Å; L175-V222 HydrophobicContact CD2-CB 4.3Å; L175-V222 HydrophobicContact CD2-CG1 4.5Å; L175-V222 HydrophobicContact CD2-CG2 3.86Å
176	T	91.2	Very high	95.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-30	178.8	56.6	0	0	0	0	113.1	Y25 D178 L179 N215	Y25-T176 HydrophobicContact CD1-CG2 4.3Å; Y25-T176 WeakPolarHBondContact CD1-OG1 3.42Å; Y25-T176 HydrophobicContact CE1-CG2 4.27Å; T176-D178 VanDerWaalsContact C-N 3.26Å; T176-D178 PolarHBondContact O-N 2.94Å; T176-L179 PolarHBondContact O-N 2.96Å; T176-N215 PolarHBondContact N-OD1 2.86Å; T176-N215 PolarHBondContact OG1-ND2 3.15Å; T176-N215 PolarHBondContact OG1-OD1 2.93Å
177	K	89.3	Confident	95	Very high	105 Å²	105	53.3 Å²	53.3	46%	0.457	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-24.1	174.4	71.1	178.1	179.9	65.2	0	113.9	L175	L175-K177 HydrophobicContact CB-CG 4.12Å; L175-K177 PolarHBondContact O-N 2.85Å; L175-K177 VanDerWaalsContact O-N 3.07Å
178	D	94.2	Very high	95	Very high	49 Å²	49	54.8 Å²	54.8	26%	0.262	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-20.7	178.9	-48.6	-45.3	0	0	0	110.7	M174 L175 T176 K180	M174-D178 HydrophobicContact CE-CB 3.75Å; M174-D178 HydrophobicContact SD-CB 4.35Å; L175-D178 WeakPolarHBondContact CB-OD2 3.38Å; L175-D178 PolarHBondContact N-OD2 3.48Å; L175-D178 WeakPolarHBondContact O-CA 3.47Å; L175-D178 WeakPolarHBondContact O-CB 3.33Å; L175-D178 PolarHBondContact O-N 3.22Å; T176-D178 VanDerWaalsContact C-N 3.26Å; T176-D178 PolarHBondContact O-N 2.94Å; D178-K180 PolarHBondContact O-N 3.27Å
179	L	94.9	Very high	94.8	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	29%	0.29	C	S	.	.			trans	-78.3	75.1	175.1	-62.3	-175.8	0	0	0	111.1	F135 M174 L175 T176 I185 I196 V204 I211	F135-L179 HydrophobicContact CE1-CD1 3.85Å; F135-L179 HydrophobicContact CZ-CD1 4.08Å; F135-L179 HydrophobicContact CZ-CD2 4.14Å; M174-L179 HydrophobicContact CB-CD2 4.05Å; M174-L179 HydrophobicContact CE-CD2 4.15Å; L175-L179 WeakPolarHBondContact O-CG 3.28Å; L175-L179 PolarHBondContact O-N 2.84Å; T176-L179 PolarHBondContact O-N 2.96Å; L179-I185 HydrophobicContact CD2-CD1 3.8Å; L179-I196 HydrophobicContact CB-CG2 3.63Å; L179-I196 HydrophobicContact CD2-CD1 4.15Å; L179-I196 HydrophobicContact CD2-CG1 4.3Å; L179-I196 HydrophobicContact CD2-CG2 4.4Å; L179-I196 HydrophobicContact CG-CG2 4.47Å; L179-V204 HydrophobicContact CB-CG1 4.3Å; L179-V204 HydrophobicContact CD1-CG1 4.27Å; L179-I211 HydrophobicContact CD1-CD1 3.78Å
180	K	93.3	Very high	94.4	Very high	131 Å²	131	64.7 Å²	64.7	57%	0.57	33%	0.326	S	S	*	.			trans	-75.5	153	-179.6	-53.3	-172.9	-174	173.5	0	111.8	D178 G182 M183 I196	D178-K180 PolarHBondContact O-N 3.27Å; K180-G182 PolarHBondContact O-N 2.89Å; K180-M183 HydrophobicContact CB-CE 3.77Å; K180-M183 HydrophobicContact CB-CG 4.03Å; K180-M183 HydrophobicContact CB-SD 3.66Å; K180-M183 HydrophobicContact CD-CE 3.67Å; K180-M183 HydrophobicContact CG-CE 3.72Å; K180-M183 HydrophobicContact CG-SD 4.01Å; K180-M183 PolarHBondContact N-SD 2.84Å; K180-M183 WeakPolarHBondContact O-CB 3.44Å; K180-M183 PolarHBondContact O-N 2.8Å; K180-I196 WeakPolarHBondContact O-CG2 3.37Å
181	N	94.2	Very high	94	Very high	97 Å²	97	70.6 Å²	70.6	52%	0.519	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	134.2	177.1	-170.8	69.9	0	0	0	112.1	M183 N197 H198	N181-M183 VanDerWaalsContact C-N 3.3Å; N181-N197 WeakPolarHBondContact OD1-CA 3.47Å; N181-H198 HydrophobicContact CB-CB 4.1Å; N181-H198 PolarHBondContact OD1-N 2.86Å; N181-H198 PolarHBondContact OD1-O 2.93Å
182	G	91.1	Very high	93.6	Very high	47 Å²	47	68.3 Å²	68.3	49%	0.485	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	6.1	178.7	0	0	0	0	0	114.6	K180 I196	K180-G182 PolarHBondContact O-N 2.89Å; G182-I196 PolarHBondContact N-O 3.07Å
183	M	94	Very high	93.4	Very high	69 Å²	69	62.6 Å²	62.6	34%	0.34	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	137.7	175.9	-77.6	-177.8	161.8	0	0	111.2	K180 N181 I185 I196	K180-M183 HydrophobicContact CB-CE 3.77Å; K180-M183 HydrophobicContact CB-CG 4.03Å; K180-M183 HydrophobicContact CB-SD 3.66Å; K180-M183 HydrophobicContact CD-CE 3.67Å; K180-M183 HydrophobicContact CG-CE 3.72Å; K180-M183 HydrophobicContact CG-SD 4.01Å; K180-M183 PolarHBondContact N-SD 2.84Å; K180-M183 WeakPolarHBondContact O-CB 3.44Å; K180-M183 PolarHBondContact O-N 2.8Å; N181-M183 VanDerWaalsContact C-N 3.3Å; M183-I185 HydrophobicContact CB-CG1 4.43Å; M183-I196 HydrophobicContact CB-CB 4.1Å; M183-I196 HydrophobicContact CB-CG1 4.34Å; M183-I196 PolarHBondContact N-O 3.26Å; M183-I196 WeakPolarHBondContact O-CB 3.35Å; M183-I196 PolarHBondContact O-N 2.89Å
184	I	94.2	Very high	93.3	Very high	100 Å²	100	57.6 Å²	57.6	51%	0.513	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	115.7	168.7	-54.3	173.4	0	0	0	107.1	L194 F195	I184-L194 WeakPolarHBondContact CA-O 3.46Å; I184-F195 HydrophobicContact CD1-CD1 4.25Å; I184-F195 HydrophobicContact CD1-CE1 3.53Å; I184-F195 HydrophobicContact CD1-CZ 3.86Å; I184-F195 HydrophobicContact CG1-CD1 3.97Å; I184-F195 HydrophobicContact CG1-CE1 3.74Å; I184-F195 HydrophobicContact CG1-CZ 4.15Å; I184-F195 HydrophobicContact CG2-CE2 4.27Å; I184-F195 HydrophobicContact CG2-CZ 4.22Å
185	I	95.4	Very high	93.2	Very high	18 Å²	18	56.5 Å²	56.5	9%	0.092	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	127.5	-176.5	-53.9	174.8	0	0	0	109.1	I170 M174 L179 M183 S187 L194 I196	I170-I185 HydrophobicContact CD1-CB 4.32Å; I170-I185 HydrophobicContact CD1-CD1 4.03Å; I170-I185 HydrophobicContact CD1-CG2 3.69Å; I170-I185 HydrophobicContact CG1-CG2 3.87Å; I170-I185 HydrophobicContact CG2-CG2 3.85Å; M174-I185 HydrophobicContact CE-CD1 3.92Å; L179-I185 HydrophobicContact CD2-CD1 3.8Å; M183-I185 HydrophobicContact CB-CG1 4.43Å; I185-S187 PolarHBondContact O-N 2.84Å; I185-L194 PolarHBondContact N-O 3.04Å; I185-L194 WeakPolarHBondContact O-CB 3.47Å; I185-L194 PolarHBondContact O-N 3.21Å; I185-I196 HydrophobicContact CD1-CD1 4.18Å; I185-I196 HydrophobicContact CD1-CG1 3.66Å; I185-I196 HydrophobicContact CG1-CG1 4.05Å
186	P	95.5	Very high	93.3	Very high	69 Å²	69	55 Å²	55	45%	0.448	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	127.1	174.9	27.1	-33.5	0	0	0	110.3	N191	P186-N191 HydrophobicContact CB-CB 4.13Å
187	S	95.7	Very high	93.6	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.021	29%	0.294	C	S	.	.			trans	-74.5	171.3	170.6	70.7	0	0	0	0	111.5	S167 M169 I185 Y189 L192	S167-S187 WeakPolarHBondContact O-CB 3.43Å; M169-S187 CarbonylContact O-C 3.56Å; M169-S187 WeakPolarHBondContact O-CA 3.49Å; M169-S187 WeakPolarHBondContact O-CB 3.29Å; I185-S187 PolarHBondContact O-N 2.84Å; S187-Y189 PolarHBondContact O-N 2.98Å; S187-Y189 PolarHBondContact OG-N 3.08Å; S187-Y189 PolarHBondContact OG-O 3.47Å; S187-L192 WeakPolarHBondContact CB-O 3.34Å; S187-L192 PolarHBondContact N-O 2.96Å; S187-L192 PolarHBondContact OG-N 2.69Å; S187-L192 PolarHBondContact OG-O 3.45Å
188	M	96	Very high	93.8	Very high	44 Å²	44	51.2 Å²	51.2	22%	0.217	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-11.3	175.8	-69.2	179	58.2	0	0	113.3	E125 F132 H166 M169 N171	E125-M188 WeakPolarHBondContact OE1-CE 3.31Å; F132-M188 HydrophobicContact CD1-CE 4.1Å; F132-M188 HydrophobicContact CD1-SD 3.83Å; F132-M188 HydrophobicContact CE1-CE 3.91Å; F132-M188 HydrophobicContact CE1-SD 4.26Å; H166-M188 HydrophobicContact CB-CB 4.18Å; H166-M188 PolarHBondContact O-N 3.06Å; M169-M188 HydrophobicContact CB-CB 4.3Å; M169-M188 HydrophobicContact CB-CG 4.13Å; M169-M188 HydrophobicContact CB-SD 3.68Å; M169-M188 HydrophobicContact CE-CE 4.28Å; M169-M188 HydrophobicContact CE-SD 3.84Å; M169-M188 PolarHBondContact O-N 2.86Å; N171-M188 HydrophobicContact CB-CG 4.04Å; N171-M188 HydrophobicContact CB-SD 4.13Å
189	Y	94.1	Very high	93.7	Very high	65 Å²	65	49.4 Å²	49.4	26%	0.255	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.4	111.6	175.5	179.3	-114.9	0	0	0	111.2	N163 H166 S187 N191 L192	N163-Y189 HydrophobicContact CB-CD2 3.65Å; N163-Y189 HydrophobicContact CB-CE1 4.32Å; N163-Y189 HydrophobicContact CB-CE2 3.38Å; N163-Y189 HydrophobicContact CB-CG 4.25Å; N163-Y189 VanDerWaalsContact OD1-CE2 3.25Å; N163-Y189 WeakPolarHBondContact OD1-CE2 3.43Å; H166-Y189 PolarHBondContact O-N 2.93Å; S187-Y189 PolarHBondContact O-N 2.98Å; S187-Y189 PolarHBondContact OG-N 3.08Å; S187-Y189 PolarHBondContact OG-O 3.47Å; Y189-N191 PolarHBondContact O-N 3.39Å; Y189-L192 WeakPolarHBondContact O-CB 3.35Å; Y189-L192 PolarHBondContact O-N 3.43Å
190	N	90.6	Very high	93.5	Very high	142 Å²	142	54 Å²	54	76%	0.759	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	27.6	174.9	-159.9	26.4	0	0	0	114.8	L192	N190-L192 PolarHBondContact O-N 3.2Å; N190-L192 VanDerWaalsContact O-N 3.15Å
191	N	88.6	Confident	93.2	Very high	129 Å²	129	49.2 Å²	49.2	69%	0.69	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	28.2	-172.2	-57.2	-38	0	0	0	114.3	P186 Y189 G193	P186-N191 HydrophobicContact CB-CB 4.13Å; Y189-N191 PolarHBondContact O-N 3.39Å; N191-G193 PolarHBondContact O-N 2.83Å
192	L	89.4	Confident	92.9	Very high	53 Å²	53	45 Å²	45	28%	0.277	26%	0.256	S	S	.	.			trans	-59.9	131.7	179.9	-172.2	71.2	0	0	0	109.9	S187 Y189 N190	S187-L192 WeakPolarHBondContact CB-O 3.34Å; S187-L192 PolarHBondContact N-O 2.96Å; S187-L192 PolarHBondContact OG-N 2.69Å; S187-L192 PolarHBondContact OG-O 3.45Å; Y189-L192 WeakPolarHBondContact O-CB 3.35Å; Y189-L192 PolarHBondContact O-N 3.43Å; N190-L192 PolarHBondContact O-N 3.2Å; N190-L192 VanDerWaalsContact O-N 3.15Å
193	G	91.9	Very high	92.9	Very high	15 Å²	15	43.3 Å²	43.3	16%	0.155	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	128.8	-176	0	0	0	0	0	113.3	N191	N191-G193 PolarHBondContact O-N 2.83Å
194	L	95.1	Very high	92.9	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115.6	169.1	-69.2	167.5	0	0	0	109.6	F135 S167 I170 I184 I185 I196 V206 L230	F135-L194 HydrophobicContact CD2-CD1 4.18Å; F135-L194 HydrophobicContact CE2-CD1 4.05Å; S167-L194 WeakPolarHBondContact O-CD2 3.29Å; I170-L194 HydrophobicContact CD1-CD1 4.46Å; I170-L194 HydrophobicContact CG1-CD1 3.96Å; I184-L194 WeakPolarHBondContact CA-O 3.46Å; I185-L194 PolarHBondContact N-O 3.04Å; I185-L194 WeakPolarHBondContact O-CB 3.47Å; I185-L194 PolarHBondContact O-N 3.21Å; L194-I196 PolarHBondContact O-N 2.7Å; L194-V206 HydrophobicContact CB-CG1 4.06Å; L194-V206 HydrophobicContact CD2-CG1 3.75Å; L194-V206 HydrophobicContact CG-CG1 4.41Å; L194-L230 HydrophobicContact CD2-CD1 3.59Å
195	F	95.3	Very high	93	Very high	14 Å²	14	35.4 Å²	35.4	6%	0.061	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	108.6	-175.9	-72	-101.2	0	0	0	110.3	I184 V206 N207 I233 N354	I184-F195 HydrophobicContact CD1-CD1 4.25Å; I184-F195 HydrophobicContact CD1-CE1 3.53Å; I184-F195 HydrophobicContact CD1-CZ 3.86Å; I184-F195 HydrophobicContact CG1-CD1 3.97Å; I184-F195 HydrophobicContact CG1-CE1 3.74Å; I184-F195 HydrophobicContact CG1-CZ 4.15Å; I184-F195 HydrophobicContact CG2-CE2 4.27Å; I184-F195 HydrophobicContact CG2-CZ 4.22Å; F195-V206 CarbonylContact O-C 3.55Å; F195-V206 WeakPolarHBondContact O-CA 3.3Å; F195-N207 WeakPolarHBondContact CB-OD1 3.44Å; F195-N207 PolarHBondContact N-OD1 3.19Å; F195-N207 PolarHBondContact O-N 2.84Å; F195-I233 HydrophobicContact CD2-CD1 3.89Å; F195-I233 HydrophobicContact CE2-CD1 3.22Å; F195-I233 HydrophobicContact CZ-CD1 4Å; F195-N354 WeakPolarHBondContact CE1-O 3.44Å; F195-N354 HydrophobicContact CZ-CB 4.45Å; F195-N354 VanDerWaalsContact CZ-O 3.31Å; F195-N354 WeakPolarHBondContact CZ-O 3.21Å; F195-N354 WeakPolarHBondContact CZ-OD1 3.46Å
196	I	96.5	Very high	93.1	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	123.7	-177.4	-52.8	-56.6	0	0	0	109.8	F135 L179 K180 G182 M183 I185 L194 T205 V206	F135-I196 HydrophobicContact CZ-CD1 4.33Å; L179-I196 HydrophobicContact CB-CG2 3.63Å; L179-I196 HydrophobicContact CD2-CD1 4.15Å; L179-I196 HydrophobicContact CD2-CG1 4.3Å; L179-I196 HydrophobicContact CD2-CG2 4.4Å; L179-I196 HydrophobicContact CG-CG2 4.47Å; K180-I196 WeakPolarHBondContact O-CG2 3.37Å; G182-I196 PolarHBondContact N-O 3.07Å; M183-I196 HydrophobicContact CB-CB 4.1Å; M183-I196 HydrophobicContact CB-CG1 4.34Å; M183-I196 PolarHBondContact N-O 3.26Å; M183-I196 WeakPolarHBondContact O-CB 3.35Å; M183-I196 PolarHBondContact O-N 2.89Å; I185-I196 HydrophobicContact CD1-CD1 4.18Å; I185-I196 HydrophobicContact CD1-CG1 3.66Å; I185-I196 HydrophobicContact CG1-CG1 4.05Å; L194-I196 PolarHBondContact O-N 2.7Å; I196-T205 WeakPolarHBondContact CA-O 3.42Å; I196-V206 HydrophobicContact CD1-CB 4.21Å; I196-V206 HydrophobicContact CD1-CG1 3.92Å; I196-V206 HydrophobicContact CD1-CG2 3.64Å
197	N	95.6	Very high	93.2	Very high	7 Å²	7	32 Å²	32	4%	0.037	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.2	170.5	-57.1	-74.1	0	0	0	110.2	N181 Y199 V204 T205 L309	N181-N197 WeakPolarHBondContact OD1-CA 3.47Å; N197-Y199 HydrophobicContact CB-CE2 3.67Å; N197-V204 WeakPolarHBondContact O-CA 3.5Å; N197-T205 WeakPolarHBondContact CB-OG1 3.46Å; N197-T205 PolarHBondContact N-O 2.89Å; N197-T205 PolarHBondContact O-N 3.38Å; N197-L309 WeakPolarHBondContact ND2-CD2 3.33Å
198	H	94.4	Very high	93.2	Very high	19 Å²	19	31.9 Å²	31.9	9%	0.088	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	109.6	-179.4	-168.8	-35.5	0	0	0	109	H24 Y25 N181	H24-H198 VanDerWaalsContact CB-CE1 3.45Å; H24-H198 WeakPolarHBondContact CB-CE1 3.2Å; Y25-H198 PolarHBondContact N-CE1 3.29Å; Y25-H198 VanDerWaalsContact N-CE1 3.29Å; Y25-H198 PolarHBondContact N-NE2 2.84Å; N181-H198 HydrophobicContact CB-CB 4.1Å; N181-H198 PolarHBondContact OD1-N 2.86Å; N181-H198 PolarHBondContact OD1-O 2.93Å
199	Y	92.9	Very high	93.2	Very high	10 Å²	10	30 Å²	30	4%	0.039	17%	0.165	C	C	.	.			trans	-91.3	156	-171.2	-63.2	-81.5	0	0	0	112.3	N197 N201 G202 V203 T205 L309 C311 S314	N197-Y199 HydrophobicContact CB-CE2 3.67Å; Y199-N201 WeakPolarHBondContact CB-OD1 3.48Å; Y199-N201 PolarHBondContact O-N 3.21Å; Y199-N201 VanDerWaalsContact O-N 3.17Å; Y199-G202 PolarHBondContact O-N 3.5Å; Y199-V203 HydrophobicContact CD2-CB 4.22Å; Y199-V203 HydrophobicContact CD2-CG1 4.22Å; Y199-V203 WeakPolarHBondContact CD2-O 3.47Å; Y199-V203 PolarHBondContact N-O 3.47Å; Y199-T205 HydrophobicContact CE2-CG2 4.05Å; Y199-L309 WeakPolarHBondContact CE1-O 3.49Å; Y199-L309 PolarHBondContact OH-O 2.95Å; Y199-C311 PolarHBondContact OH-N 2.81Å; Y199-C311 VanDerWaalsContact OH-N 3.08Å; Y199-C311 PolarHBondContact OH-SG 3.4Å; Y199-S314 VanDerWaalsContact CD2-CB 3.4Å; Y199-S314 VanDerWaalsContact CE2-CB 3.4Å
200	P	90.1	Very high	93.3	Very high	98 Å²	98	27.6 Å²	27.6	64%	0.636	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-23.8	179.9	-26	35.5	0	0	0	114.5	H24 G202	H24-P200 PolarHBondContact ND1-O 3.5Å; P200-G202 PolarHBondContact O-N 3.38Å
201	N	86.7	Confident	93.5	Very high	30 Å²	30	21.4 Å²	21.4	16%	0.16	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	7.4	174.6	65.5	2.1	0	0	0	113.5	I28 T59 Y199 V203 S314 M316	I28-N201 WeakPolarHBondContact CD1-O 3.43Å; T59-N201 HydrophobicContact CG2-CB 4.17Å; Y199-N201 WeakPolarHBondContact CB-OD1 3.48Å; Y199-N201 PolarHBondContact O-N 3.21Å; Y199-N201 VanDerWaalsContact O-N 3.17Å; N201-V203 VanDerWaalsContact C-N 3.26Å; N201-V203 PolarHBondContact O-N 2.91Å; N201-V203 WeakPolarHBondContact OD1-CB 3.21Å; N201-V203 WeakPolarHBondContact OD1-CG2 3.31Å; N201-V203 PolarHBondContact OD1-N 3.44Å; N201-V203 VanDerWaalsContact OD1-N 3.14Å; N201-S314 PolarHBondContact ND2-O 3.39Å; N201-M316 HydrophobicContact CB-SD 4.46Å
202	G	87.4	Confident	93.4	Very high	8 Å²	8	17 Å²	17	8%	0.082	10%	0.099	C	C	.	.	S	Bend	trans	78	0.7	177.5	0	0	0	0	0	115.3	Y25 Y199 P200 V204	Y25-G202 WeakPolarHBondContact CD2-O 3.16Å; Y199-G202 PolarHBondContact O-N 3.5Å; P200-G202 PolarHBondContact O-N 3.38Å; G202-V204 PolarHBondContact O-N 3.23Å
203	V	91.2	Very high	93.2	Very high	12 Å²	12	17.1 Å²	17.1	7%	0.073	10%	0.098	C	C	.	.			trans	-65.2	133.2	169.3	176.6	0	0	0	0	108.4	Y199 N201 T205 R210 M316	Y199-V203 HydrophobicContact CD2-CB 4.22Å; Y199-V203 HydrophobicContact CD2-CG1 4.22Å; Y199-V203 WeakPolarHBondContact CD2-O 3.47Å; Y199-V203 PolarHBondContact N-O 3.47Å; N201-V203 VanDerWaalsContact C-N 3.26Å; N201-V203 PolarHBondContact O-N 2.91Å; N201-V203 WeakPolarHBondContact OD1-CB 3.21Å; N201-V203 WeakPolarHBondContact OD1-CG2 3.31Å; N201-V203 PolarHBondContact OD1-N 3.44Å; N201-V203 VanDerWaalsContact OD1-N 3.14Å; V203-T205 HydrophobicContact CG1-CG2 3.95Å; V203-R210 HydrophobicContact CG1-CG 3.97Å; V203-M316 HydrophobicContact CG2-SD 4.15Å
204	V	94.8	Very high	93	Very high	3 Å²	3	16.4 Å²	16.4	2%	0.018	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	132.1	173.3	-173	0	0	0	0	107.6	Y25 L179 N197 G202 I211	Y25-V204 HydrophobicContact CD2-CG2 4.35Å; L179-V204 HydrophobicContact CB-CG1 4.3Å; L179-V204 HydrophobicContact CD1-CG1 4.27Å; N197-V204 WeakPolarHBondContact O-CA 3.5Å; G202-V204 PolarHBondContact O-N 3.23Å; V204-I211 HydrophobicContact CB-CD1 4.1Å; V204-I211 HydrophobicContact CG1-CD1 3.77Å; V204-I211 PolarHBondContact O-N 3.29Å
205	T	96.8	Very high	92.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	147.4	-179.3	64	0	0	0	0	111.8	I196 N197 Y199 V203 A209 R210 C311	I196-T205 WeakPolarHBondContact CA-O 3.42Å; N197-T205 WeakPolarHBondContact CB-OG1 3.46Å; N197-T205 PolarHBondContact N-O 2.89Å; N197-T205 PolarHBondContact O-N 3.38Å; Y199-T205 HydrophobicContact CE2-CG2 4.05Å; V203-T205 HydrophobicContact CG1-CG2 3.95Å; T205-A209 CarbonylContact C-O 3.53Å; T205-A209 WeakPolarHBondContact CA-O 3.44Å; T205-R210 HydrophobicContact CG2-CB 4.32Å; T205-C311 HydrophobicContact CG2-CB 4.32Å
206	V	97.3	Very high	92.6	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.5	171.2	-174.2	0	0	0	0	107.8	F135 L194 F195 I196 C208 A209 I211 L230	F135-V206 HydrophobicContact CD1-CG2 3.72Å; F135-V206 HydrophobicContact CD2-CG1 4.24Å; F135-V206 HydrophobicContact CD2-CG2 4.43Å; F135-V206 HydrophobicContact CE1-CG2 3.55Å; F135-V206 HydrophobicContact CE2-CG1 4.29Å; F135-V206 HydrophobicContact CE2-CG2 4.25Å; F135-V206 HydrophobicContact CG-CG2 4.18Å; F135-V206 HydrophobicContact CZ-CG2 3.83Å; L194-V206 HydrophobicContact CB-CG1 4.06Å; L194-V206 HydrophobicContact CD2-CG1 3.75Å; L194-V206 HydrophobicContact CG-CG1 4.41Å; F195-V206 CarbonylContact O-C 3.55Å; F195-V206 WeakPolarHBondContact O-CA 3.3Å; I196-V206 HydrophobicContact CD1-CB 4.21Å; I196-V206 HydrophobicContact CD1-CG1 3.92Å; I196-V206 HydrophobicContact CD1-CG2 3.64Å; V206-C208 PolarHBondContact O-N 3.42Å; V206-A209 PolarHBondContact N-O 2.83Å; V206-A209 VanDerWaalsContact O-CB 3.32Å; V206-A209 WeakPolarHBondContact O-CB 3.4Å; V206-A209 PolarHBondContact O-N 3.33Å; V206-I211 HydrophobicContact CG2-CD1 4.42Å; V206-L230 HydrophobicContact CG1-CD1 3.96Å; V206-L230 WeakPolarHBondContact O-CD2 3.33Å
207	N	96.3	Very high	92.3	Very high	15 Å²	15	20.8 Å²	20.8	8%	0.08	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.8	46.6	-169.6	-58.8	-0.8	0	0	0	111.6	F195 A209 L230 V352	F195-N207 WeakPolarHBondContact CB-OD1 3.44Å; F195-N207 PolarHBondContact N-OD1 3.19Å; F195-N207 PolarHBondContact O-N 2.84Å; N207-A209 PolarHBondContact O-N 2.92Å; N207-L230 HydrophobicContact CB-CD2 4.23Å; N207-V352 HydrophobicContact CB-CG1 4.37Å
208	C	96.5	Very high	92.2	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.007	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	3.4	-174.1	-65.9	0	0	0	0	117.8	V206 C311 D350 V352	V206-C208 PolarHBondContact O-N 3.42Å; C208-C311 WeakPolarHBondContact CA-SG 3.49Å; C208-C311 HydrophobicContact CB-CB 3.58Å; C208-C311 WeakPolarHBondContact CB-SG 3.41Å; C208-C311 WeakPolarHBondContact SG-CB 3.28Å; C208-C311 CovalentContact SG-SG 2.04Å; C208-C311 PolarHBondContact SG-SG 2.78Å; C208-D350 HydrophobicContact CB-CB 3.96Å; C208-V352 HydrophobicContact CB-CG2 3.92Å
209	A	96.7	Very high	92.2	Very high	3 Å²	3	24.1 Å²	24.1	3%	0.025	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	123.5	164.8	0	0	0	0	0	109.9	T205 V206 N207 I226 D227 R228 L230	T205-A209 CarbonylContact C-O 3.53Å; T205-A209 WeakPolarHBondContact CA-O 3.44Å; V206-A209 PolarHBondContact N-O 2.83Å; V206-A209 VanDerWaalsContact O-CB 3.32Å; V206-A209 WeakPolarHBondContact O-CB 3.4Å; V206-A209 PolarHBondContact O-N 3.33Å; N207-A209 PolarHBondContact O-N 2.92Å; A209-I226 HydrophobicContact CB-CB 4.23Å; A209-I226 HydrophobicContact CB-CD1 4.13Å; A209-D227 WeakPolarHBondContact CA-OD1 3.43Å; A209-R228 HydrophobicContact CB-CB 3.96Å; A209-L230 HydrophobicContact CB-CD2 3.56Å
210	R	95.1	Very high	92.4	Very high	15 Å²	15	24.3 Å²	24.3	6%	0.057	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	136.2	-177.3	175	174.5	56.1	64.7	21.6	110.8	V203 T205 I212 I226 D227 E313	V203-R210 HydrophobicContact CG1-CG 3.97Å; T205-R210 HydrophobicContact CG2-CB 4.32Å; R210-I212 PolarHBondContact O-N 3.26Å; R210-I226 VanDerWaalsContact O-CA 3.31Å; R210-I226 WeakPolarHBondContact O-CA 3.29Å; R210-D227 IonicContact CZ-OD2 3.65Å; R210-D227 PolarHBondContact N-OD1 3.12Å; R210-D227 IonicContact NE-OD2 3.88Å; R210-D227 IonicContact NH2-OD2 2.81Å; R210-D227 PolarHBondContact NH2-OD2 3.26Å; R210-D227 PolarHBondContact O-N 3.19Å; R210-E313 HydrophobicContact CB-CB 3.94Å; R210-E313 HydrophobicContact CB-CG 4.23Å; R210-E313 IonicContact CZ-OE2 2.68Å; R210-E313 IonicContact NE-OE2 2.92Å; R210-E313 PolarHBondContact NE-OE2 3.45Å; R210-E313 IonicContact NH2-OE2 3.34Å
211	I	94	Very high	92.7	Very high	12 Å²	12	19.7 Å²	19.7	6%	0.062	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	113.6	168.9	-60.5	179	0	0	0	108.8	F135 L179 V204 V206 H224 V225 I226	F135-I211 HydrophobicContact CD1-CD1 4.5Å; F135-I211 HydrophobicContact CE1-CD1 4.17Å; L179-I211 HydrophobicContact CD1-CD1 3.78Å; V204-I211 HydrophobicContact CB-CD1 4.1Å; V204-I211 HydrophobicContact CG1-CD1 3.77Å; V204-I211 PolarHBondContact O-N 3.29Å; V206-I211 HydrophobicContact CG2-CD1 4.42Å; I211-H224 HydrophobicContact CD1-CB 4.26Å; I211-H224 HydrophobicContact CG1-CB 4.48Å; I211-H224 HydrophobicContact CG2-CB 4.1Å; I211-V225 CarbonylContact C-O 3.57Å; I211-V225 WeakPolarHBondContact CA-O 3.42Å; I211-I226 HydrophobicContact CG1-CG2 4.05Å
212	I	88	Confident	93.2	Very high	37 Å²	37	18.3 Å²	18.3	19%	0.19	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	-51.6	175.5	-52.1	172.3	0	0	0	109.8	R210 V225 D227	R210-I212 PolarHBondContact O-N 3.26Å; I212-V225 HydrophobicContact CD1-CG1 4.48Å; I212-V225 PolarHBondContact N-O 3.15Å; I212-D227 HydrophobicContact CD1-CB 3.68Å; I212-D227 HydrophobicContact CG1-CB 3.82Å
213	H	85.1	Confident	93.6	Very high	56 Å²	56	17.9 Å²	17.9	26%	0.259	10%	0.097	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	101.7	-178.7	-62.1	-64.6	0	0	0	109.6	H224 V225	H213-H224 CarbonylContact O-C 3.35Å; H213-H224 WeakPolarHBondContact O-CA 3.35Å; H213-V225 HydrophobicContact CB-CB 4.05Å; H213-V225 HydrophobicContact CB-CG2 4.11Å; H213-V225 PolarHBondContact N-O 3.46Å; H213-V225 PolarHBondContact O-N 3.47Å
214	G	87.9	Confident	93.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	161.6	178.8	0	0	0	0	0	113.9	P81 H224	P81-G214 WeakPolarHBondContact CB-O 3.46Å; G214-H224 WeakPolarHBondContact CA-ND1 3.14Å
215	N	89.9	Confident	93.9	Very high	33 Å²	33	17.4 Å²	17.4	18%	0.176	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	65.6	38.4	168.3	-54.8	-43.9	0	0	0	115.6	L175 T176 I217 H224	L175-N215 WeakPolarHBondContact CA-OD1 3.24Å; L175-N215 WeakPolarHBondContact CB-OD1 3.47Å; L175-N215 HydrophobicContact CD2-CB 4.5Å; T176-N215 PolarHBondContact N-OD1 2.86Å; T176-N215 PolarHBondContact OG1-ND2 3.15Å; T176-N215 PolarHBondContact OG1-OD1 2.93Å; N215-I217 PolarHBondContact O-N 2.98Å; N215-H224 PolarHBondContact N-CE1 3.31Å; N215-H224 PolarHBondContact N-ND1 3.27Å; N215-H224 PolarHBondContact OD1-CE1 3.23Å
216	Q	90.8	Very high	93.9	Very high	18 Å²	18	17.4 Å²	17.4	8%	0.084	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	103	175.2	-61.8	-74.7	3.7	0	0	109	T104 V108 V222 V223	T104-Q216 HydrophobicContact CG2-CB 4.12Å; V108-Q216 HydrophobicContact CG1-CB 3.64Å; V108-Q216 HydrophobicContact CG1-CG 3.44Å; V108-Q216 VanDerWaalsContact CG1-CG 3.44Å; Q216-V222 CarbonylContact O-C 3.52Å; Q216-V222 WeakPolarHBondContact O-CA 3.42Å; Q216-V222 WeakPolarHBondContact O-CG2 3.49Å; Q216-V223 HydrophobicContact CB-CB 4.27Å; Q216-V223 WeakPolarHBondContact CB-O 3.35Å; Q216-V223 PolarHBondContact N-O 3.02Å; Q216-V223 PolarHBondContact O-N 3.41Å
217	I	91.1	Very high	93.8	Very high	59 Å²	59	18.5 Å²	18.5	30%	0.303	10%	0.099	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	128.9	-169.9	-55	-46.8	0	0	0	110.5	L175 N215 V222	L175-I217 HydrophobicContact CD2-CD1 3.62Å; N215-I217 PolarHBondContact O-N 2.98Å; I217-V222 HydrophobicContact CD1-CG2 4.03Å
218	A	93.1	Very high	93.7	Very high	4 Å²	4	22.9 Å²	22.9	3%	0.033	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	162.1	172.3	0	0	0	0	0	110.6	D99 V101 T104 N220 G221	D99-A218 CarbonylContact O-C 3.3Å; D99-A218 WeakPolarHBondContact O-CA 3.12Å; D99-A218 WeakPolarHBondContact O-CB 3.47Å; V101-A218 HydrophobicContact CB-CB 4.4Å; V101-A218 HydrophobicContact CG2-CB 3.64Å; T104-A218 WeakPolarHBondContact OG1-CB 3.47Å; A218-N220 PolarHBondContact O-N 2.86Å; A218-G221 PolarHBondContact N-O 3.28Å; A218-G221 PolarHBondContact O-N 2.78Å; A218-G221 VanDerWaalsContact O-O 3.11Å
219	T	95.3	Very high	93.7	Very high	93 Å²	93	23.7 Å²	23.7	57%	0.571	12%	0.119	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	-34.7	177.4	55.8	0	0	0	0	112.2	I98 D99 H100	I98-T219 HydrophobicContact CB-CG2 4.37Å; I98-T219 HydrophobicContact CD1-CG2 4.29Å; I98-T219 HydrophobicContact CG1-CG2 4.24Å; D99-T219 PolarHBondContact O-N 3.05Å; D99-T219 PolarHBondContact O-OG1 3.13Å; H100-T219 VanDerWaalsContact CA-OG1 3.24Å; H100-T219 WeakPolarHBondContact CA-OG1 3.4Å; H100-T219 PolarHBondContact N-OG1 3.36Å
220	N	96.4	Very high	93.7	Very high	13 Å²	13	24 Å²	24	7%	0.07	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.9	24.5	179.6	65.6	-15.7	0	0	0	112.6	H100 V101 I126 G128 G130 S131 F132 A218	H100-N220 WeakPolarHBondContact CA-OD1 3.49Å; V101-N220 WeakPolarHBondContact CG2-OD1 3.36Å; V101-N220 PolarHBondContact N-OD1 3.42Å; I126-N220 PolarHBondContact O-ND2 2.88Å; G128-N220 PolarHBondContact O-ND2 2.91Å; G130-N220 WeakPolarHBondContact O-CB 3.18Å; S131-N220 CarbonylContact C-O 3.52Å; S131-N220 WeakPolarHBondContact CA-O 3.39Å; F132-N220 WeakPolarHBondContact CD2-O 3.05Å; F132-N220 PolarHBondContact N-O 2.76Å; A218-N220 PolarHBondContact O-N 2.86Å
221	G	96.6	Very high	93.4	Very high	2 Å²	2	27.3 Å²	27.3	2%	0.021	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.8	-150.2	179.8	0	0	0	0	0	117.3	F132 A218	F132-G221 CarbonylContact O-C 3.54Å; F132-G221 WeakPolarHBondContact O-CA 2.95Å; A218-G221 PolarHBondContact N-O 3.28Å; A218-G221 PolarHBondContact O-N 2.78Å; A218-G221 VanDerWaalsContact O-O 3.11Å
222	V	96.2	Very high	92.9	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	143	173.8	62.3	0	0	0	0	110.6	F132 T133 Y134 R173 M174 L175 Q216 I217	F132-V222 PolarHBondContact O-N 3.24Å; T133-V222 WeakPolarHBondContact CA-O 3.28Å; T133-V222 HydrophobicContact CG2-CG1 3.96Å; T133-V222 WeakPolarHBondContact OG1-CG1 3.38Å; Y134-V222 PolarHBondContact N-O 2.88Å; R173-V222 HydrophobicContact CG-CB 4.11Å; R173-V222 HydrophobicContact CG-CG1 3.82Å; M174-V222 WeakPolarHBondContact O-CG1 3.5Å; L175-V222 HydrophobicContact CD2-CB 4.3Å; L175-V222 HydrophobicContact CD2-CG1 4.5Å; L175-V222 HydrophobicContact CD2-CG2 3.86Å; Q216-V222 CarbonylContact O-C 3.52Å; Q216-V222 WeakPolarHBondContact O-CA 3.42Å; Q216-V222 WeakPolarHBondContact O-CG2 3.49Å; I217-V222 HydrophobicContact CD1-CG2 4.03Å
223	V	97.2	Very high	92.9	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	136.1	173.7	179.6	0	0	0	0	109.9	V101 T104 L105 V108 Y134 A136 Q216	V101-V223 HydrophobicContact CG1-CG2 4.1Å; T104-V223 HydrophobicContact CG2-CB 4Å; T104-V223 HydrophobicContact CG2-CG2 3.7Å; L105-V223 HydrophobicContact CD2-CG1 3.97Å; L105-V223 HydrophobicContact CD2-CG2 4.28Å; V108-V223 HydrophobicContact CG2-CG1 4Å; Y134-V223 WeakPolarHBondContact O-CA 3.47Å; A136-V223 HydrophobicContact CB-CG1 3.95Å; Q216-V223 HydrophobicContact CB-CB 4.27Å; Q216-V223 WeakPolarHBondContact CB-O 3.35Å; Q216-V223 PolarHBondContact N-O 3.02Å; Q216-V223 PolarHBondContact O-N 3.41Å
224	H	96.1	Very high	93	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	120.7	168.9	-56.3	-68.1	0	0	0	108.4	Y134 F135 A136 M174 I211 H213 G214 N215	Y134-H224 PolarHBondContact O-N 3.03Å; F135-H224 CarbonylContact C-O 3.52Å; F135-H224 WeakPolarHBondContact CA-O 3.25Å; F135-H224 HydrophobicContact CD1-CB 3.86Å; F135-H224 AromaticContact CD1-CD2 3.89Å; F135-H224 HydrophobicContact CE1-CB 4.25Å; F135-H224 AromaticContact CE1-CD2 3.54Å; A136-H224 PolarHBondContact N-O 2.97Å; M174-H224 PolarHBondContact O-NE2 3.16Å; I211-H224 HydrophobicContact CD1-CB 4.26Å; I211-H224 HydrophobicContact CG1-CB 4.48Å; I211-H224 HydrophobicContact CG2-CB 4.1Å; H213-H224 CarbonylContact O-C 3.35Å; H213-H224 WeakPolarHBondContact O-CA 3.35Å; G214-H224 WeakPolarHBondContact CA-ND1 3.14Å; N215-H224 PolarHBondContact N-CE1 3.31Å; N215-H224 PolarHBondContact N-ND1 3.27Å; N215-H224 PolarHBondContact OD1-CE1 3.23Å
225	V	95.5	Very high	93.1	Very high	5 Å²	5	37.5 Å²	37.5	3%	0.03	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	125.9	176.6	-175.7	0	0	0	0	109.3	V108 A136 I211 I212 H213	V108-V225 HydrophobicContact CB-CG2 3.84Å; V108-V225 HydrophobicContact CG2-CG2 3.53Å; A136-V225 CarbonylContact O-C 3.54Å; A136-V225 VanDerWaalsContact O-CA 3.26Å; A136-V225 WeakPolarHBondContact O-CA 3.3Å; I211-V225 CarbonylContact C-O 3.57Å; I211-V225 WeakPolarHBondContact CA-O 3.42Å; I212-V225 HydrophobicContact CD1-CG1 4.48Å; I212-V225 PolarHBondContact N-O 3.15Å; H213-V225 HydrophobicContact CB-CB 4.05Å; H213-V225 HydrophobicContact CB-CG2 4.11Å; H213-V225 PolarHBondContact N-O 3.46Å; H213-V225 PolarHBondContact O-N 3.47Å
226	I	96.8	Very high	93.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	155	178.5	61.9	172.3	0	0	0	111.7	F135 A136 P137 S138 A209 R210 I211 R228 L230	F135-I226 HydrophobicContact CB-CD1 4.11Å; F135-I226 HydrophobicContact CB-CG2 4.1Å; F135-I226 HydrophobicContact CD1-CG2 4.33Å; A136-I226 PolarHBondContact O-N 3.19Å; P137-I226 HydrophobicContact CB-CG1 4.38Å; P137-I226 HydrophobicContact CG-CD1 4.31Å; P137-I226 HydrophobicContact CG-CG1 4.34Å; S138-I226 PolarHBondContact N-O 2.93Å; A209-I226 HydrophobicContact CB-CB 4.23Å; A209-I226 HydrophobicContact CB-CD1 4.13Å; R210-I226 VanDerWaalsContact O-CA 3.31Å; R210-I226 WeakPolarHBondContact O-CA 3.29Å; I211-I226 HydrophobicContact CG1-CG2 4.05Å; I226-R228 WeakPolarHBondContact CD1-O 3.06Å; I226-R228 WeakPolarHBondContact CG1-O 3.37Å; I226-L230 HydrophobicContact CD1-CD1 4.27Å; I226-L230 HydrophobicContact CD1-CD2 3.66Å; I226-L230 HydrophobicContact CD1-CG 3.71Å
227	D	94.9	Very high	93.8	Very high	22 Å²	22	35.4 Å²	35.4	12%	0.118	20%	0.195	C	C	.	.	S	Bend	trans	-86.4	-3.1	-173.5	69.1	-11.6	0	0	0	115.5	A141 A209 R210 I212	A141-D227 WeakPolarHBondContact CB-O 3.26Å; A209-D227 WeakPolarHBondContact CA-OD1 3.43Å; R210-D227 IonicContact CZ-OD2 3.65Å; R210-D227 PolarHBondContact N-OD1 3.12Å; R210-D227 IonicContact NE-OD2 3.88Å; R210-D227 IonicContact NH2-OD2 2.81Å; R210-D227 PolarHBondContact NH2-OD2 3.26Å; R210-D227 PolarHBondContact O-N 3.19Å; I212-D227 HydrophobicContact CD1-CB 3.68Å; I212-D227 HydrophobicContact CG1-CB 3.82Å
228	R	94.9	Very high	94.1	Very high	108 Å²	108	34.7 Å²	34.7	41%	0.408	19%	0.19	S	C	.	.	S	Bend	trans	-146	151	-179.5	-59.8	179.9	67.8	-161.1	-3.2	110.7	A209 I226 D350	A209-R228 HydrophobicContact CB-CB 3.96Å; I226-R228 WeakPolarHBondContact CD1-O 3.06Å; I226-R228 WeakPolarHBondContact CG1-O 3.37Å; R228-D350 IonicContact NH1-OD2 3.9Å
229	V	96.8	Very high	94.3	Very high	17 Å²	17	37.6 Å²	37.6	10%	0.103	21%	0.205	C	C	.	.			trans	-73.2	128.8	167.8	-177.7	0	0	0	0	108.2	P137 A141 W142 L145	P137-V229 HydrophobicContact CB-CG2 3.83Å; P137-V229 HydrophobicContact CG-CB 4.4Å; P137-V229 HydrophobicContact CG-CG2 4.05Å; A141-V229 HydrophobicContact CB-CG2 4.41Å; W142-V229 HydrophobicContact CD2-CG2 3.61Å; W142-V229 HydrophobicContact CE3-CG1 4.47Å; W142-V229 HydrophobicContact CE3-CG2 3.61Å; W142-V229 HydrophobicContact CG-CG2 4.12Å; W142-V229 HydrophobicContact CH2-CG1 3.92Å; W142-V229 HydrophobicContact CH2-CG2 4.26Å; W142-V229 HydrophobicContact CZ2-CG1 4.41Å; W142-V229 HydrophobicContact CZ2-CG2 4.27Å; W142-V229 HydrophobicContact CZ3-CG1 3.96Å; W142-V229 HydrophobicContact CZ3-CG2 3.95Å; L145-V229 HydrophobicContact CB-CG2 4.45Å; L145-V229 HydrophobicContact CD1-CB 4.24Å; L145-V229 HydrophobicContact CD2-CB 4.43Å; L145-V229 HydrophobicContact CD2-CG1 4.3Å; L145-V229 HydrophobicContact CD2-CG2 4.3Å
230	L	95.3	Very high	94.4	Very high	11 Å²	11	35 Å²	35	6%	0.058	19%	0.186	C	C	.	.			trans	-71.7	130.5	176.4	-51.1	-176.3	0	0	0	109.4	H168 L194 V206 N207 A209 I226	H168-L230 PolarHBondContact CE1-N 3.11Å; H168-L230 PolarHBondContact CE1-O 2.83Å; H168-L230 VanDerWaalsContact CE1-O 3.32Å; H168-L230 WeakPolarHBondContact NE2-CB 3.22Å; H168-L230 PolarHBondContact NE2-N 2.87Å; L194-L230 HydrophobicContact CD2-CD1 3.59Å; V206-L230 HydrophobicContact CG1-CD1 3.96Å; V206-L230 WeakPolarHBondContact O-CD2 3.33Å; N207-L230 HydrophobicContact CB-CD2 4.23Å; A209-L230 HydrophobicContact CB-CD2 3.56Å; I226-L230 HydrophobicContact CD1-CD1 4.27Å; I226-L230 HydrophobicContact CD1-CD2 3.66Å; I226-L230 HydrophobicContact CD1-CG 3.71Å
231	T	89.5	Confident	94.5	Very high	83 Å²	83	34.4 Å²	34.4	51%	0.509	18%	0.183	S	C	.	.			trans	-105.6	169.8	174.2	57.9	0	0	0	0	110.3	I233	T231-I233 PolarHBondContact O-N 2.88Å
232	Q	83.9	Confident	94.5	Very high	150 Å²	150	37.8 Å²	37.8	70%	0.701	20%	0.198	S	C	*	.	P	Polyproline II helix	trans	-58	134	166.9	-66.2	178	-1.6	0	0	109.2
233	I	87.6	Confident	94.6	Very high	34 Å²	34	41.6 Å²	41.6	17%	0.174	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-80.7	151.1	176.8	62.9	179.4	0	0	0	109.8	F195 T231 V352 N354	F195-I233 HydrophobicContact CD2-CD1 3.89Å; F195-I233 HydrophobicContact CE2-CD1 3.22Å; F195-I233 HydrophobicContact CZ-CD1 4Å; T231-I233 PolarHBondContact O-N 2.88Å; I233-V352 HydrophobicContact CB-CG1 4.43Å; I233-V352 HydrophobicContact CG2-CB 4.24Å; I233-V352 HydrophobicContact CG2-CG1 3.78Å; I233-N354 HydrophobicContact CD1-CB 4.49Å
234	G	86.7	Confident	94.6	Very high	28 Å²	28	44.4 Å²	44.4	29%	0.289	24%	0.243	S	C	.	.	B	Isolated β-bridge	trans	-66.9	153.5	171.9	0	0	0	0	0	112.1	V352 T353 N354	G234-V352 PolarHBondContact N-O 3.23Å; G234-T353 CarbonylContact O-C 3.44Å; G234-T353 VanDerWaalsContact O-CA 3.24Å; G234-T353 WeakPolarHBondContact O-CA 3.35Å; G234-N354 PolarHBondContact O-N 2.83Å
235	T	91.4	Very high	94.6	Very high	108 Å²	108	51.1 Å²	51.1	66%	0.663	28%	0.279	S	S	*	.	S	Bend	trans	-59.2	-51.4	-179.1	-49.9	0	0	0	0	112.2	D239 N354	T235-D239 WeakPolarHBondContact CB-OD2 3.4Å; T235-D239 WeakPolarHBondContact CG2-OD2 3.41Å; T235-N354 WeakPolarHBondContact O-CB 3.46Å
236	S	95.9	Very high	94.7	Very high	7 Å²	7	53.8 Å²	53.8	5%	0.049	29%	0.293	C	S	.	.			trans	-157.3	171	173.6	71.3	0	0	0	0	110.1	Q238 D239 F240 N355	S236-Q238 VanDerWaalsContact C-N 3.31Å; S236-Q238 PolarHBondContact OG-N 3.41Å; S236-D239 WeakPolarHBondContact CB-OD2 3.21Å; S236-D239 PolarHBondContact N-OD2 2.79Å; S236-D239 PolarHBondContact O-N 2.87Å; S236-D239 PolarHBondContact OG-N 2.87Å; S236-D239 VanDerWaalsContact OG-N 3.07Å; S236-D239 PolarHBondContact OG-OD2 3.41Å; S236-F240 PolarHBondContact O-N 2.68Å; S236-N355 WeakPolarHBondContact CA-OD1 3.45Å
237	I	97.9	Very high	94.8	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-42.7	172.4	-66.7	176.3	0	0	0	110.6	F240 I241 L263 F269 L271 T353 N355 I358	I237-F240 PolarHBondContact O-N 3.07Å; I237-I241 HydrophobicContact CG2-CD1 3.77Å; I237-I241 HydrophobicContact CG2-CG1 4.44Å; I237-I241 WeakPolarHBondContact O-CD1 3.33Å; I237-I241 VanDerWaalsContact O-CG1 3.31Å; I237-I241 WeakPolarHBondContact O-CG1 3.43Å; I237-I241 PolarHBondContact O-N 3.45Å; I237-L263 HydrophobicContact CB-CB 4.27Å; I237-L263 HydrophobicContact CG2-CB 4.03Å; I237-L263 HydrophobicContact CG2-CD1 4.16Å; I237-L263 HydrophobicContact CG2-CD2 4.15Å; I237-L263 HydrophobicContact CG2-CG 4.35Å; I237-F269 HydrophobicContact CD1-CB 3.74Å; I237-L271 HydrophobicContact CD1-CB 4.31Å; I237-L271 HydrophobicContact CG2-CB 4.25Å; I237-L271 HydrophobicContact CG2-CD2 3.45Å; I237-L271 VanDerWaalsContact CG2-CD2 3.45Å; I237-L271 HydrophobicContact CG2-CG 4.47Å; I237-T353 HydrophobicContact CG1-CG2 4.35Å; I237-T353 WeakPolarHBondContact CG1-OG1 3.33Å; I237-N355 WeakPolarHBondContact CG1-OD1 3.09Å; I237-N355 PolarHBondContact N-OD1 2.84Å; I237-I358 HydrophobicContact CB-CD1 4.31Å; I237-I358 HydrophobicContact CG1-CD1 4.2Å; I237-I358 HydrophobicContact CG1-CG1 3.97Å; I237-I358 HydrophobicContact CG2-CD1 3.98Å; I237-I358 HydrophobicContact CG2-CG1 4.16Å
238	Q	97.9	Very high	94.9	Very high	44 Å²	44	55.8 Å²	55.8	21%	0.206	31%	0.309	C	S	.	.	H	α-helix	trans	-56.4	-51.8	175.5	170.2	173.3	4.6	0	0	111.6	S236 F240 I241 E242 L260 L263	S236-Q238 VanDerWaalsContact C-N 3.31Å; S236-Q238 PolarHBondContact OG-N 3.41Å; Q238-F240 PolarHBondContact O-N 3.41Å; Q238-I241 WeakPolarHBondContact O-CB 3.14Å; Q238-I241 PolarHBondContact O-N 3.45Å; Q238-I241 VanDerWaalsContact O-N 3.08Å; Q238-E242 HydrophobicContact CG-CG 4.39Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.34Å; Q238-E242 PolarHBondContact NE2-OE1 2.75Å; Q238-E242 WeakPolarHBondContact O-CG 3.34Å; Q238-E242 PolarHBondContact O-N 3.46Å; Q238-L260 HydrophobicContact CB-CD1 4.3Å; Q238-L260 HydrophobicContact CG-CD1 3.99Å; Q238-L260 HydrophobicContact CG-CG 3.89Å; Q238-L260 PolarHBondContact OE1-O 2.91Å; Q238-L263 HydrophobicContact CB-CB 4.41Å; Q238-L263 PolarHBondContact N-O 3.44Å; Q238-L263 VanDerWaalsContact N-O 3.08Å
239	D	97.6	Very high	94.9	Very high	64 Å²	64	52.8 Å²	52.8	34%	0.342	30%	0.304	S	S	.	.	H	α-helix	trans	-60.7	-36.9	-177.2	-61.6	-53.6	0	0	0	111.6	T235 S236 E242 A243	T235-D239 WeakPolarHBondContact CB-OD2 3.4Å; T235-D239 WeakPolarHBondContact CG2-OD2 3.41Å; S236-D239 WeakPolarHBondContact CB-OD2 3.21Å; S236-D239 PolarHBondContact N-OD2 2.79Å; S236-D239 PolarHBondContact O-N 2.87Å; S236-D239 PolarHBondContact OG-N 2.87Å; S236-D239 VanDerWaalsContact OG-N 3.07Å; S236-D239 PolarHBondContact OG-OD2 3.41Å; D239-E242 PolarHBondContact O-N 3.14Å; D239-A243 WeakPolarHBondContact O-CB 3.41Å; D239-A243 PolarHBondContact O-N 3.18Å; D239-A243 VanDerWaalsContact O-N 3.11Å
240	F	97.6	Very high	94.9	Very high	39 Å²	39	52 Å²	52	17%	0.171	30%	0.3	C	S	.	.	H	α-helix	trans	-64.4	-45.3	174.9	-175.1	-90.3	0	0	0	111.9	S236 I237 Q238 E242 A243 E244 L247 I351 T353 I358 L360	S236-F240 PolarHBondContact O-N 2.68Å; I237-F240 PolarHBondContact O-N 3.07Å; Q238-F240 PolarHBondContact O-N 3.41Å; F240-E242 VanDerWaalsContact C-N 3.26Å; F240-E242 PolarHBondContact O-N 3.15Å; F240-A243 PolarHBondContact O-N 2.66Å; F240-E244 HydrophobicContact CD1-CB 4.41Å; F240-E244 HydrophobicContact CE1-CB 3.97Å; F240-E244 HydrophobicContact CE1-CG 4.07Å; F240-E244 HydrophobicContact CZ-CB 4.13Å; F240-E244 HydrophobicContact CZ-CG 4.09Å; F240-E244 WeakPolarHBondContact CZ-OE2 3.41Å; F240-E244 VanDerWaalsContact O-CB 3.32Å; F240-E244 WeakPolarHBondContact O-CB 3.39Å; F240-E244 PolarHBondContact O-N 3.22Å; F240-L247 HydrophobicContact CD1-CD1 4Å; F240-L247 HydrophobicContact CE1-CD1 3.81Å; F240-I351 HydrophobicContact CD2-CG2 3.86Å; F240-I351 HydrophobicContact CE1-CD1 4.11Å; F240-I351 HydrophobicContact CE1-CG2 4.39Å; F240-I351 HydrophobicContact CE2-CD1 4.46Å; F240-I351 HydrophobicContact CE2-CG2 3.65Å; F240-I351 HydrophobicContact CG-CG2 4.35Å; F240-I351 HydrophobicContact CZ-CD1 3.76Å; F240-I351 HydrophobicContact CZ-CG2 3.95Å; F240-T353 HydrophobicContact CB-CG2 4.5Å; F240-I358 HydrophobicContact CB-CD1 3.74Å; F240-I358 HydrophobicContact CD1-CD1 3.36Å; F240-I358 HydrophobicContact CE1-CD1 4.19Å; F240-I358 HydrophobicContact CG-CD1 3.66Å; F240-L360 HydrophobicContact CE1-CD2 4.45Å
241	I	97.9	Very high	95	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-61.7	-36	177	-66.3	160.6	0	0	0	111.3	I237 Q238 L247 F250 R251 L260 L263 L271	I237-I241 HydrophobicContact CG2-CD1 3.77Å; I237-I241 HydrophobicContact CG2-CG1 4.44Å; I237-I241 WeakPolarHBondContact O-CD1 3.33Å; I237-I241 VanDerWaalsContact O-CG1 3.31Å; I237-I241 WeakPolarHBondContact O-CG1 3.43Å; I237-I241 PolarHBondContact O-N 3.45Å; Q238-I241 WeakPolarHBondContact O-CB 3.14Å; Q238-I241 PolarHBondContact O-N 3.45Å; Q238-I241 VanDerWaalsContact O-N 3.08Å; I241-L247 HydrophobicContact CG1-CD1 4.23Å; I241-F250 HydrophobicContact CD1-CD1 4.16Å; I241-F250 HydrophobicContact CD1-CE1 3.79Å; I241-F250 HydrophobicContact CG1-CD1 4.32Å; I241-F250 HydrophobicContact CG1-CE1 4.4Å; I241-F250 HydrophobicContact CG2-CD1 4.22Å; I241-R251 HydrophobicContact CG2-CB 3.66Å; I241-R251 HydrophobicContact CG2-CG 4.07Å; I241-L260 HydrophobicContact CB-CD1 4.26Å; I241-L260 HydrophobicContact CD1-CD1 4Å; I241-L260 HydrophobicContact CG2-CD1 4.05Å; I241-L263 HydrophobicContact CD1-CD1 3.68Å; I241-L271 HydrophobicContact CD1-CD2 3.78Å; I241-L271 HydrophobicContact CG1-CD2 4.26Å
242	E	97.2	Very high	95.3	Very high	72 Å²	72	54.4 Å²	54.4	34%	0.336	31%	0.31	S	S	.	.	H	α-helix	trans	-74.1	-27.3	-179.9	-69.7	-175.6	-175.8	0	0	113.6	Q238 D239 F240 R251 L260	Q238-E242 HydrophobicContact CG-CG 4.39Å; Q238-E242 WeakPolarHBondContact CG-OE1 3.34Å; Q238-E242 PolarHBondContact NE2-OE1 2.75Å; Q238-E242 WeakPolarHBondContact O-CG 3.34Å; Q238-E242 PolarHBondContact O-N 3.46Å; D239-E242 PolarHBondContact O-N 3.14Å; F240-E242 VanDerWaalsContact C-N 3.26Å; F240-E242 PolarHBondContact O-N 3.15Å; E242-R251 PolarHBondContact O-NH1 2.93Å; E242-L260 HydrophobicContact CG-CD2 4.32Å
243	A	97.2	Very high	95.8	Very high	81 Å²	81	47.4 Å²	47.4	67%	0.669	28%	0.278	S	S	*	.	H	α-helix	trans	-93.1	-26.3	-178.1	0	0	0	0	0	114.3	D239 F240	D239-A243 WeakPolarHBondContact O-CB 3.41Å; D239-A243 PolarHBondContact O-N 3.18Å; D239-A243 VanDerWaalsContact O-N 3.11Å; F240-A243 PolarHBondContact O-N 2.66Å
244	E	97.3	Very high	96.1	Very high	58 Å²	58	45.8 Å²	45.8	27%	0.271	27%	0.269	S	S	.	.			trans	-88	112.8	-175.8	-175.4	67.6	-117.3	0	0	111.6	F240 D246 L247	F240-E244 HydrophobicContact CD1-CB 4.41Å; F240-E244 HydrophobicContact CE1-CB 3.97Å; F240-E244 HydrophobicContact CE1-CG 4.07Å; F240-E244 HydrophobicContact CZ-CB 4.13Å; F240-E244 HydrophobicContact CZ-CG 4.09Å; F240-E244 WeakPolarHBondContact CZ-OE2 3.41Å; F240-E244 VanDerWaalsContact O-CB 3.32Å; F240-E244 WeakPolarHBondContact O-CB 3.39Å; F240-E244 PolarHBondContact O-N 3.22Å; E244-D246 VanDerWaalsContact C-N 3.27Å; E244-D246 HydrophobicContact CG-CB 4.43Å; E244-D246 PolarHBondContact O-N 3.01Å; E244-L247 HydrophobicContact CB-CB 4.42Å; E244-L247 HydrophobicContact CB-CD1 4.19Å; E244-L247 HydrophobicContact CB-CG 4.25Å; E244-L247 HydrophobicContact CG-CB 4.49Å; E244-L247 HydrophobicContact CG-CD1 4.2Å; E244-L247 HydrophobicContact CG-CG 3.97Å; E244-L247 PolarHBondContact O-N 2.9Å
245	D	97.6	Very high	96.4	Very high	142 Å²	142	49.1 Å²	49.1	76%	0.759	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-60.9	-34.3	-178.1	-71	-33.2	0	0	0	112.7	L247 S248 N276	D245-L247 PolarHBondContact O-N 2.83Å; D245-L247 VanDerWaalsContact O-N 3.11Å; D245-S248 WeakPolarHBondContact O-CB 3.18Å; D245-S248 PolarHBondContact O-N 2.97Å; D245-S248 VanDerWaalsContact O-N 3.17Å; D245-N276 PolarHBondContact O-ND2 3.14Å
246	D	97.3	Very high	96.4	Very high	60 Å²	60	48.1 Å²	48.1	32%	0.321	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-69.1	-6.7	179	-163.3	30.9	0	0	0	113.4	E244 T275 N276	E244-D246 VanDerWaalsContact C-N 3.27Å; E244-D246 HydrophobicContact CG-CB 4.43Å; E244-D246 PolarHBondContact O-N 3.01Å; D246-T275 CarbonylContact O-C 3.42Å; D246-T275 WeakPolarHBondContact O-CA 3.48Å; D246-T275 WeakPolarHBondContact OD2-CB 3.32Å; D246-T275 WeakPolarHBondContact OD2-CG2 3.46Å; D246-N276 WeakPolarHBondContact CA-ND2 3.49Å; D246-N276 VanDerWaalsContact O-CG 3.22Å; D246-N276 PolarHBondContact O-N 3.45Å; D246-N276 PolarHBondContact O-ND2 3.31Å; D246-N276 PolarHBondContact O-OD1 3.06Å
247	L	98.1	Very high	96.2	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-107.3	10.6	176.2	-64.1	-176.4	0	0	0	113.7	F240 I241 E244 D245 S249 F250 R251 A273 P274 L360	F240-L247 HydrophobicContact CD1-CD1 4Å; F240-L247 HydrophobicContact CE1-CD1 3.81Å; I241-L247 HydrophobicContact CG1-CD1 4.23Å; E244-L247 HydrophobicContact CB-CB 4.42Å; E244-L247 HydrophobicContact CB-CD1 4.19Å; E244-L247 HydrophobicContact CB-CG 4.25Å; E244-L247 HydrophobicContact CG-CB 4.49Å; E244-L247 HydrophobicContact CG-CD1 4.2Å; E244-L247 HydrophobicContact CG-CG 3.97Å; E244-L247 PolarHBondContact O-N 2.9Å; D245-L247 PolarHBondContact O-N 2.83Å; D245-L247 VanDerWaalsContact O-N 3.11Å; L247-S249 VanDerWaalsContact C-N 3.29Å; L247-S249 PolarHBondContact O-N 2.05Å; L247-F250 PolarHBondContact O-N 2.7Å; L247-F250 VanDerWaalsContact O-N 3.08Å; L247-R251 WeakPolarHBondContact O-CB 3.33Å; L247-R251 PolarHBondContact O-N 3.25Å; L247-A273 HydrophobicContact CD1-CB 4.08Å; L247-A273 HydrophobicContact CD2-CB 3.9Å; L247-P274 WeakPolarHBondContact CD2-O 3.26Å; L247-L360 HydrophobicContact CD1-CD2 4.13Å; L247-L360 HydrophobicContact CD2-CD2 4.06Å; L247-L360 HydrophobicContact CG-CD2 4.44Å
248	S	97.5	Very high	95.9	Very high	65 Å²	65	53.7 Å²	53.7	46%	0.455	30%	0.303	S	S	.	.	H	α-helix	trans	-54.5	-39.6	-177.2	71.7	0	0	0	0	114.2	D245 R251 A252 N276	D245-S248 WeakPolarHBondContact O-CB 3.18Å; D245-S248 PolarHBondContact O-N 2.97Å; D245-S248 VanDerWaalsContact O-N 3.17Å; S248-R251 PolarHBondContact O-N 3.19Å; S248-A252 PolarHBondContact O-N 3.36Å; S248-N276 PolarHBondContact N-OD1 2.96Å; S248-N276 PolarHBondContact OG-ND2 2.82Å; S248-N276 PolarHBondContact OG-OD1 3.44Å
249	S	95.6	Very high	95.6	Very high	44 Å²	44	52.2 Å²	52.2	31%	0.308	30%	0.296	S	S	.	.	H	α-helix	trans	-67.9	-43.2	177	-59.3	0	0	0	0	111.9	L247 A252 A253 N276	L247-S249 VanDerWaalsContact C-N 3.29Å; L247-S249 PolarHBondContact O-N 2.05Å; S249-A252 PolarHBondContact O-N 3.07Å; S249-A253 PolarHBondContact O-N 2.84Å; S249-A253 VanDerWaalsContact O-N 3.11Å; S249-N276 WeakPolarHBondContact CB-OD1 3.45Å; S249-N276 PolarHBondContact N-OD1 3.43Å; S249-N276 PolarHBondContact OG-OD1 2.95Å
250	F	97	Very high	95.4	Very high	1 Å²	1	49.7 Å²	49.7	0%	0.004	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-42	175.9	-174.4	-105.6	0	0	0	111.4	I241 L247 A252 A253 A254 L271 P274 F279 M301	I241-F250 HydrophobicContact CD1-CD1 4.16Å; I241-F250 HydrophobicContact CD1-CE1 3.79Å; I241-F250 HydrophobicContact CG1-CD1 4.32Å; I241-F250 HydrophobicContact CG1-CE1 4.4Å; I241-F250 HydrophobicContact CG2-CD1 4.22Å; L247-F250 PolarHBondContact O-N 2.7Å; L247-F250 VanDerWaalsContact O-N 3.08Å; F250-A252 PolarHBondContact O-N 3.37Å; F250-A253 PolarHBondContact O-N 3.47Å; F250-A254 WeakPolarHBondContact O-CB 3.44Å; F250-A254 PolarHBondContact O-N 3.5Å; F250-L271 HydrophobicContact CE1-CD1 4.13Å; F250-L271 HydrophobicContact CE1-CD2 4.01Å; F250-L271 HydrophobicContact CZ-CD1 3.76Å; F250-L271 HydrophobicContact CZ-CD2 4.48Å; F250-P274 VanDerWaalsContact CD2-CD 3.47Å; F250-P274 HydrophobicContact CD2-CG 3.49Å; F250-P274 VanDerWaalsContact CD2-CG 3.49Å; F250-P274 HydrophobicContact CE2-CG 4.03Å; F250-P274 HydrophobicContact CG-CG 4.26Å; F250-F279 HydrophobicContact CB-CE2 3.91Å; F250-F279 HydrophobicContact CB-CZ 4.39Å; F250-F279 HydrophobicContact CD2-CE2 4.31Å; F250-F279 HydrophobicContact CD2-CZ 4.2Å; F250-M301 HydrophobicContact CD2-CE 4.2Å; F250-M301 HydrophobicContact CD2-SD 3.99Å; F250-M301 HydrophobicContact CE2-CE 3.96Å; F250-M301 HydrophobicContact CE2-SD 3.54Å; F250-M301 VanDerWaalsContact CE2-SD 3.54Å; F250-M301 HydrophobicContact CZ-SD 4.08Å
251	R	97.1	Very high	95.2	Very high	92 Å²	92	52.9 Å²	52.9	35%	0.347	30%	0.298	S	S	.	.	H	α-helix	trans	-56.5	-49.9	175.1	-177.8	-174.4	179.6	171.3	6.1	111.1	I241 E242 L247 S248 A253 A254 I255	I241-R251 HydrophobicContact CG2-CB 3.66Å; I241-R251 HydrophobicContact CG2-CG 4.07Å; E242-R251 PolarHBondContact O-NH1 2.93Å; L247-R251 WeakPolarHBondContact O-CB 3.33Å; L247-R251 PolarHBondContact O-N 3.25Å; S248-R251 PolarHBondContact O-N 3.19Å; R251-A253 VanDerWaalsContact C-N 3.32Å; R251-A253 PolarHBondContact O-N 2.79Å; R251-A254 PolarHBondContact O-N 3.44Å; R251-I255 HydrophobicContact CG-CD1 3.96Å; R251-I255 VanDerWaalsContact O-CG1 3.29Å; R251-I255 WeakPolarHBondContact O-CG1 3.24Å; R251-I255 PolarHBondContact O-N 2.81Å
252	A	94.5	Very high	94.9	Very high	52 Å²	52	54.8 Å²	54.8	43%	0.43	31%	0.314	S	S	.	.	H	α-helix	trans	-60	-42.1	178.7	0	0	0	0	0	112.1	S248 S249 F250 T256	S248-A252 PolarHBondContact O-N 3.36Å; S249-A252 PolarHBondContact O-N 3.07Å; F250-A252 PolarHBondContact O-N 3.37Å; A252-T256 WeakPolarHBondContact O-CB 3.5Å; A252-T256 PolarHBondContact O-N 2.9Å; A252-T256 PolarHBondContact O-OG1 3.14Å
253	A	94.2	Very high	94.8	Very high	4 Å²	4	51.5 Å²	51.5	3%	0.033	30%	0.299	C	S	.	.	H	α-helix	trans	-65	-42.9	175.2	0	0	0	0	0	112.4	S249 F250 R251 I255 T256 S257 M291 M301	S249-A253 PolarHBondContact O-N 2.84Å; S249-A253 VanDerWaalsContact O-N 3.11Å; F250-A253 PolarHBondContact O-N 3.47Å; R251-A253 VanDerWaalsContact C-N 3.32Å; R251-A253 PolarHBondContact O-N 2.79Å; A253-I255 PolarHBondContact O-N 3.42Å; A253-T256 PolarHBondContact O-N 2.95Å; A253-S257 WeakPolarHBondContact O-CB 3.41Å; A253-S257 PolarHBondContact O-N 3.18Å; A253-S257 PolarHBondContact O-OG 3.15Å; A253-M291 HydrophobicContact CB-CE 4.2Å; A253-M291 HydrophobicContact CB-SD 3.59Å; A253-M291 VanDerWaalsContact CB-SD 3.59Å; A253-M301 HydrophobicContact CB-CE 3.82Å; A253-M301 HydrophobicContact CB-SD 3.82Å
254	A	95	Very high	94.7	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.1	-35.6	179.7	0	0	0	0	0	112.7	F250 R251 D258 I259 L260 M301	F250-A254 WeakPolarHBondContact O-CB 3.44Å; F250-A254 PolarHBondContact O-N 3.5Å; R251-A254 PolarHBondContact O-N 3.44Å; A254-D258 PolarHBondContact O-N 3Å; A254-I259 PolarHBondContact O-N 2.86Å; A254-L260 HydrophobicContact CB-CB 4.05Å; A254-L260 HydrophobicContact CB-CD1 4.24Å; A254-L260 PolarHBondContact O-N 3.18Å; A254-M301 HydrophobicContact CB-SD 4.35Å
255	I	93.6	Very high	94.5	Very high	98 Å²	98	53.1 Å²	53.1	50%	0.503	29%	0.294	S	S	.	.	H	α-helix	trans	-66	-47.2	171.9	-67.4	167	0	0	0	110.1	R251 A253 S257 D258 L260	R251-I255 HydrophobicContact CG-CD1 3.96Å; R251-I255 VanDerWaalsContact O-CG1 3.29Å; R251-I255 WeakPolarHBondContact O-CG1 3.24Å; R251-I255 PolarHBondContact O-N 2.81Å; A253-I255 PolarHBondContact O-N 3.42Å; I255-S257 VanDerWaalsContact C-N 3.27Å; I255-S257 PolarHBondContact O-N 3.06Å; I255-D258 PolarHBondContact O-N 3.25Å; I255-L260 HydrophobicContact CD1-CD2 4.23Å; I255-L260 HydrophobicContact CG1-CD2 3.61Å
256	T	90.8	Very high	94.3	Very high	87 Å²	87	53.1 Å²	53.1	53%	0.534	29%	0.294	S	S	.	.	H	α-helix	trans	-61.8	-36.5	-179	-57.3	0	0	0	0	112.1	A252 A253	A252-T256 WeakPolarHBondContact O-CB 3.5Å; A252-T256 PolarHBondContact O-N 2.9Å; A252-T256 PolarHBondContact O-OG1 3.14Å; A253-T256 PolarHBondContact O-N 2.95Å
257	S	90.6	Very high	94	Very high	4 Å²	4	51.9 Å²	51.9	3%	0.028	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	2.5	179.7	-61	0	0	0	0	114.6	A253 I255 I259 S297	A253-S257 WeakPolarHBondContact O-CB 3.41Å; A253-S257 PolarHBondContact O-N 3.18Å; A253-S257 PolarHBondContact O-OG 3.15Å; I255-S257 VanDerWaalsContact C-N 3.27Å; I255-S257 PolarHBondContact O-N 3.06Å; S257-I259 VanDerWaalsContact C-N 3.27Å; S257-I259 PolarHBondContact O-N 3.48Å; S257-S297 WeakPolarHBondContact OG-CB 3.22Å; S257-S297 PolarHBondContact OG-O 3.24Å; S257-S297 PolarHBondContact OG-OG 2.71Å
258	D	91.4	Very high	93.7	Very high	120 Å²	120	56.6 Å²	56.6	64%	0.642	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	34.6	179.2	-157.2	23	0	0	0	114	A254 I255	A254-D258 PolarHBondContact O-N 3Å; I255-D258 PolarHBondContact O-N 3.25Å
259	I	93.1	Very high	93.7	Very high	13 Å²	13	54.8 Å²	54.8	7%	0.067	30%	0.301	C	S	.	.			trans	-107.2	-20.6	-178	-72.9	161.5	0	0	0	111.9	A254 S257 E261 A262 L263 E298 M301 K302 I305	A254-I259 PolarHBondContact O-N 2.86Å; S257-I259 VanDerWaalsContact C-N 3.27Å; S257-I259 PolarHBondContact O-N 3.48Å; I259-E261 VanDerWaalsContact C-N 3.28Å; I259-E261 PolarHBondContact O-N 2.8Å; I259-A262 WeakPolarHBondContact O-CB 3.23Å; I259-A262 PolarHBondContact O-N 3.14Å; I259-A262 VanDerWaalsContact O-N 3.07Å; I259-L263 HydrophobicContact CG2-CD1 4.42Å; I259-L263 HydrophobicContact CG2-CG 4.4Å; I259-L263 PolarHBondContact O-N 2.92Å; I259-E298 HydrophobicContact CD1-CG 3.96Å; I259-M301 HydrophobicContact CB-CB 4.49Å; I259-M301 HydrophobicContact CD1-CB 3.26Å; I259-M301 HydrophobicContact CD1-CG 4Å; I259-M301 HydrophobicContact CG1-CB 4.46Å; I259-M301 HydrophobicContact CG2-CB 4.44Å; I259-K302 HydrophobicContact CD1-CG 4.02Å; I259-I305 HydrophobicContact CG2-CD1 3.86Å
260	L	93.9	Very high	93.8	Very high	11 Å²	11	52.7 Å²	52.7	6%	0.058	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-40	-176.5	-171.2	62.9	0	0	0	112.2	Q238 I241 E242 A254 I255 A262 L263 G264	Q238-L260 HydrophobicContact CB-CD1 4.3Å; Q238-L260 HydrophobicContact CG-CD1 3.99Å; Q238-L260 HydrophobicContact CG-CG 3.89Å; Q238-L260 PolarHBondContact OE1-O 2.91Å; I241-L260 HydrophobicContact CB-CD1 4.26Å; I241-L260 HydrophobicContact CD1-CD1 4Å; I241-L260 HydrophobicContact CG2-CD1 4.05Å; E242-L260 HydrophobicContact CG-CD2 4.32Å; A254-L260 HydrophobicContact CB-CB 4.05Å; A254-L260 HydrophobicContact CB-CD1 4.24Å; A254-L260 PolarHBondContact O-N 3.18Å; I255-L260 HydrophobicContact CD1-CD2 4.23Å; I255-L260 HydrophobicContact CG1-CD2 3.61Å; L260-A262 VanDerWaalsContact C-N 3.32Å; L260-A262 PolarHBondContact O-N 3.39Å; L260-L263 WeakPolarHBondContact O-CB 3.4Å; L260-L263 PolarHBondContact O-N 2.79Å; L260-L263 VanDerWaalsContact O-N 3.09Å; L260-G264 PolarHBondContact O-N 3.06Å
261	E	92.3	Very high	93.9	Very high	105 Å²	105	52.7 Å²	52.7	49%	0.491	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-63.1	-38	177.6	-164.3	-162.2	140.8	0	0	112	I259 L263 G264 R265	I259-E261 VanDerWaalsContact C-N 3.28Å; I259-E261 PolarHBondContact O-N 2.8Å; E261-L263 PolarHBondContact O-N 3.06Å; E261-G264 PolarHBondContact O-N 3.01Å; E261-R265 PolarHBondContact O-N 2.85Å; E261-R265 IonicContact OE1-CZ 2.91Å; E261-R265 IonicContact OE1-NE 3.61Å; E261-R265 IonicContact OE1-NH2 3.64Å; E261-R265 PolarHBondContact OE1-NH2 2.81Å; E261-R265 IonicContact OE2-NH2 2.73Å
262	A	92.1	Very high	93.9	Very high	42 Å²	42	48.4 Å²	48.4	35%	0.347	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-63.6	-29.6	176.9	0	0	0	0	0	112	I259 L260 G264 R265	I259-A262 WeakPolarHBondContact O-CB 3.23Å; I259-A262 PolarHBondContact O-N 3.14Å; I259-A262 VanDerWaalsContact O-N 3.07Å; L260-A262 VanDerWaalsContact C-N 3.32Å; L260-A262 PolarHBondContact O-N 3.39Å; A262-G264 VanDerWaalsContact C-N 3.28Å; A262-G264 PolarHBondContact O-N 3.26Å; A262-R265 PolarHBondContact O-N 2.94Å
263	L	95.1	Very high	94.1	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-78.3	-7	175	-64.4	176.8	0	0	0	113.8	I237 Q238 I241 I259 L260 E261 L271 I305 N355	I237-L263 HydrophobicContact CB-CB 4.27Å; I237-L263 HydrophobicContact CG2-CB 4.03Å; I237-L263 HydrophobicContact CG2-CD1 4.16Å; I237-L263 HydrophobicContact CG2-CD2 4.15Å; I237-L263 HydrophobicContact CG2-CG 4.35Å; Q238-L263 HydrophobicContact CB-CB 4.41Å; Q238-L263 PolarHBondContact N-O 3.44Å; Q238-L263 VanDerWaalsContact N-O 3.08Å; I241-L263 HydrophobicContact CD1-CD1 3.68Å; I259-L263 HydrophobicContact CG2-CD1 4.42Å; I259-L263 HydrophobicContact CG2-CG 4.4Å; I259-L263 PolarHBondContact O-N 2.92Å; L260-L263 WeakPolarHBondContact O-CB 3.4Å; L260-L263 PolarHBondContact O-N 2.79Å; L260-L263 VanDerWaalsContact O-N 3.09Å; E261-L263 PolarHBondContact O-N 3.06Å; L263-L271 HydrophobicContact CD1-CD2 4.49Å; L263-I305 HydrophobicContact CD1-CD1 4.43Å; L263-I305 HydrophobicContact CD2-CD1 3.86Å; L263-I305 HydrophobicContact CD2-CG1 4.31Å; L263-I305 HydrophobicContact CD2-CG2 4.46Å; L263-I305 HydrophobicContact CG-CD1 4.43Å; L263-N355 PolarHBondContact O-ND2 2.77Å
264	G	94.7	Very high	94.3	Very high	27 Å²	27	45.7 Å²	45.7	28%	0.278	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-16.3	171.1	0	0	0	0	0	113.9	L260 E261 A262	L260-G264 PolarHBondContact O-N 3.06Å; E261-G264 PolarHBondContact O-N 3.01Å; A262-G264 VanDerWaalsContact C-N 3.28Å; A262-G264 PolarHBondContact O-N 3.26Å
265	R	94.1	Very high	94.5	Very high	146 Å²	146	45.8 Å²	45.8	55%	0.551	25%	0.248	S	C	*	.	S	Bend	trans	-76.6	157.9	-179.3	-64.7	177	-173.2	170.9	2.5	111.9	E261 A262 N355	E261-R265 PolarHBondContact O-N 2.85Å; E261-R265 IonicContact OE1-CZ 2.91Å; E261-R265 IonicContact OE1-NE 3.61Å; E261-R265 IonicContact OE1-NH2 3.64Å; E261-R265 PolarHBondContact OE1-NH2 2.81Å; E261-R265 IonicContact OE2-NH2 2.73Å; A262-R265 PolarHBondContact O-N 2.94Å; R265-N355 WeakPolarHBondContact O-CB 3.5Å; R265-N355 PolarHBondContact O-ND2 3.13Å
266	D	92.2	Very high	94.7	Very high	142 Å²	142	42.4 Å²	42.4	76%	0.759	23%	0.231	S	C	*	.	S	Bend	trans	-58	139.1	174.2	-69.5	-21.6	0	0	0	111.2
267	G	91.1	Very high	95	Very high	33 Å²	33	42.9 Å²	42.9	34%	0.34	23%	0.227	S	C	.	.	S	Bend	trans	171.3	-172.9	-176.7	0	0	0	0	0	112.7	N355	G267-N355 CarbonylContact C-O 3.47Å; G267-N355 VanDerWaalsContact C-O 3.29Å; G267-N355 CarbonylContact O-C 3.39Å; G267-N355 VanDerWaalsContact O-C 3.27Å; G267-N355 WeakPolarHBondContact O-CA 3.49Å
268	H	92.5	Very high	95.3	Very high	100 Å²	100	42.8 Å²	42.8	46%	0.463	23%	0.226	S	C	.	.			trans	-135.4	71.7	177.3	48.8	53.4	0	0	0	109.8	N307 T308 L309 N355	H268-N307 PolarHBondContact CE1-O 2.89Å; H268-N307 PolarHBondContact ND1-O 3.39Å; H268-N307 CarbonylContact O-C 3.55Å; H268-T308 CarbonylContact O-C 3.54Å; H268-T308 VanDerWaalsContact O-CA 3.23Å; H268-T308 WeakPolarHBondContact O-CA 3.21Å; H268-T308 PolarHBondContact O-N 3.32Å; H268-L309 HydrophobicContact CB-CB 4.31Å; H268-L309 PolarHBondContact O-N 3.3Å; H268-N355 WeakPolarHBondContact CA-O 3.4Å
269	F	96.6	Very high	95.5	Very high	27 Å²	27	37.6 Å²	37.6	12%	0.118	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	157.7	-174.9	-57	-70.9	0	0	0	112.4	I237 I305 L306 N355 G356 V357	I237-F269 HydrophobicContact CD1-CB 3.74Å; F269-I305 HydrophobicContact CB-CG2 4.34Å; F269-I305 HydrophobicContact CD1-CG2 4.02Å; F269-I305 HydrophobicContact CG-CG2 4.46Å; F269-L306 WeakPolarHBondContact CA-O 3.29Å; F269-N355 WeakPolarHBondContact CD2-O 3.37Å; F269-N355 PolarHBondContact N-O 2.9Å; F269-G356 CarbonylContact O-C 3.54Å; F269-G356 WeakPolarHBondContact O-CA 3.44Å; F269-V357 PolarHBondContact O-N 2.96Å
270	T	98.1	Very high	95.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	120.8	156.6	-58.3	0	0	0	0	107.9	F272 I305 L306 T308 L309 Q310 V357	T270-F272 HydrophobicContact CG2-CD2 4.33Å; T270-F272 HydrophobicContact CG2-CE2 3.82Å; T270-F272 HydrophobicContact CG2-CZ 4.09Å; T270-I305 CarbonylContact O-C 3.47Å; T270-I305 WeakPolarHBondContact O-CA 3.33Å; T270-L306 HydrophobicContact CG2-CD1 4.41Å; T270-L306 PolarHBondContact N-O 2.89Å; T270-L306 PolarHBondContact O-N 3.31Å; T270-T308 WeakPolarHBondContact CB-O 3.47Å; T270-T308 PolarHBondContact N-O 2.95Å; T270-T308 PolarHBondContact OG1-O 3.46Å; T270-L309 WeakPolarHBondContact OG1-CA 3.48Å; T270-Q310 HydrophobicContact CG2-CB 4.5Å; T270-Q310 PolarHBondContact OG1-N 3.18Å; T270-V357 CarbonylContact C-O 3.54Å; T270-V357 WeakPolarHBondContact CA-O 3.33Å; T270-V357 HydrophobicContact CG2-CG1 3.96Å
271	L	98.5	Very high	95.7	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.9	173.1	174.4	65.5	0	0	0	109.5	I237 I241 F250 L263 A273 H304 I305 V357 I358 H359	I237-L271 HydrophobicContact CD1-CB 4.31Å; I237-L271 HydrophobicContact CG2-CB 4.25Å; I237-L271 HydrophobicContact CG2-CD2 3.45Å; I237-L271 VanDerWaalsContact CG2-CD2 3.45Å; I237-L271 HydrophobicContact CG2-CG 4.47Å; I241-L271 HydrophobicContact CD1-CD2 3.78Å; I241-L271 HydrophobicContact CG1-CD2 4.26Å; F250-L271 HydrophobicContact CE1-CD1 4.13Å; F250-L271 HydrophobicContact CE1-CD2 4.01Å; F250-L271 HydrophobicContact CZ-CD1 3.76Å; F250-L271 HydrophobicContact CZ-CD2 4.48Å; L263-L271 HydrophobicContact CD1-CD2 4.49Å; L271-A273 HydrophobicContact CD2-CB 3.87Å; L271-A273 HydrophobicContact CG-CB 3.95Å; L271-A273 PolarHBondContact O-N 3.38Å; L271-H304 HydrophobicContact CD1-CB 4.18Å; L271-I305 HydrophobicContact CD1-CG1 3.85Å; L271-V357 PolarHBondContact N-O 3.34Å; L271-I358 HydrophobicContact CB-CG1 4.32Å; L271-I358 HydrophobicContact CB-CG2 4.48Å; L271-I358 HydrophobicContact CD2-CG1 4.42Å; L271-I358 HydrophobicContact CD2-CG2 4.27Å; L271-I358 HydrophobicContact CG-CG2 4.4Å; L271-I358 CarbonylContact O-C 3.59Å; L271-I358 WeakPolarHBondContact O-CA 3.22Å; L271-H359 PolarHBondContact O-N 3.23Å
272	F	98.5	Very high	95.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	93.3	162.5	-67.4	-83.5	0	0	0	108.1	T270 P274 H304 L306 I329 I331 V340 V346 H359 I361 L365	T270-F272 HydrophobicContact CG2-CD2 4.33Å; T270-F272 HydrophobicContact CG2-CE2 3.82Å; T270-F272 HydrophobicContact CG2-CZ 4.09Å; F272-P274 WeakPolarHBondContact O-CD 2.93Å; F272-H304 PolarHBondContact N-O 3.3Å; F272-H304 WeakPolarHBondContact O-CB 3.41Å; F272-H304 PolarHBondContact O-CD2 3.01Å; F272-L306 HydrophobicContact CE2-CD1 4.06Å; F272-L306 HydrophobicContact CE2-CG 4.28Å; F272-I329 HydrophobicContact CD2-CD1 4.09Å; F272-I329 HydrophobicContact CE2-CD1 3.92Å; F272-I331 HydrophobicContact CE2-CD1 3.62Å; F272-I331 HydrophobicContact CE2-CG1 4.41Å; F272-I331 HydrophobicContact CZ-CD1 3.47Å; F272-I331 VanDerWaalsContact CZ-CD1 3.47Å; F272-I331 HydrophobicContact CZ-CG1 4.03Å; F272-V340 HydrophobicContact CD1-CG2 3.96Å; F272-V340 HydrophobicContact CE1-CG2 3.79Å; F272-V340 HydrophobicContact CZ-CG2 4.42Å; F272-V346 HydrophobicContact CD1-CG2 4.47Å; F272-V346 HydrophobicContact CE1-CG2 4.4Å; F272-H359 CarbonylContact C-O 3.18Å; F272-H359 VanDerWaalsContact CA-O 3.27Å; F272-H359 WeakPolarHBondContact CA-O 3.44Å; F272-H359 HydrophobicContact CD1-CB 3.91Å; F272-H359 HydrophobicContact CE1-CB 4.08Å; F272-H359 AromaticContact CE1-CD2 3.86Å; F272-I361 HydrophobicContact CB-CD1 4Å; F272-I361 HydrophobicContact CB-CG2 4.07Å; F272-I361 HydrophobicContact CD1-CG2 3.94Å; F272-L365 HydrophobicContact CB-CD1 4.34Å
273	A	98.3	Very high	95.9	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	112.6	-171.6	0	0	0	0	0	111	L247 L271 I358 H359 L360 I361	L247-A273 HydrophobicContact CD1-CB 4.08Å; L247-A273 HydrophobicContact CD2-CB 3.9Å; L271-A273 HydrophobicContact CD2-CB 3.87Å; L271-A273 HydrophobicContact CG-CB 3.95Å; L271-A273 PolarHBondContact O-N 3.38Å; A273-I358 HydrophobicContact CB-CG2 3.66Å; A273-H359 PolarHBondContact N-O 3.27Å; A273-L360 HydrophobicContact CB-CD2 3.83Å; A273-L360 WeakPolarHBondContact O-CA 3.45Å; A273-I361 PolarHBondContact O-N 3.33Å
274	P	98.3	Very high	95.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.2	176.4	27.9	-32.5	0	0	0	111.4	L247 F250 F272 A278 F279 I361 V364	L247-P274 WeakPolarHBondContact CD2-O 3.26Å; F250-P274 VanDerWaalsContact CD2-CD 3.47Å; F250-P274 HydrophobicContact CD2-CG 3.49Å; F250-P274 VanDerWaalsContact CD2-CG 3.49Å; F250-P274 HydrophobicContact CE2-CG 4.03Å; F250-P274 HydrophobicContact CG-CG 4.26Å; F272-P274 WeakPolarHBondContact O-CD 2.93Å; P274-A278 HydrophobicContact CB-CB 3.8Å; P274-F279 HydrophobicContact CB-CD2 4.42Å; P274-F279 HydrophobicContact CB-CE2 3.97Å; P274-F279 HydrophobicContact CG-CE2 3.63Å; P274-F279 HydrophobicContact CG-CZ 4Å; P274-I361 WeakPolarHBondContact CA-O 3.22Å; P274-I361 HydrophobicContact CB-CD1 4.29Å; P274-I361 HydrophobicContact CB-CG1 3.99Å; P274-V364 HydrophobicContact CB-CG2 3.89Å; P274-V364 HydrophobicContact CG-CG2 4.4Å
275	T	98.4	Very high	95.5	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.006	30%	0.297	C	S	.	.			trans	-70.4	167.9	176.3	60.8	0	0	0	0	112	D246 E277 A278 F279 L360 I361	D246-T275 CarbonylContact O-C 3.42Å; D246-T275 WeakPolarHBondContact O-CA 3.48Å; D246-T275 WeakPolarHBondContact OD2-CB 3.32Å; D246-T275 WeakPolarHBondContact OD2-CG2 3.46Å; T275-E277 PolarHBondContact O-N 3.08Å; T275-A278 WeakPolarHBondContact O-CB 3.49Å; T275-A278 PolarHBondContact O-N 3.05Å; T275-A278 PolarHBondContact OG1-N 3.45Å; T275-F279 WeakPolarHBondContact O-CD2 3.28Å; T275-F279 PolarHBondContact O-N 3.01Å; T275-L360 HydrophobicContact CG2-CB 4.32Å; T275-I361 PolarHBondContact N-O 3.06Å; T275-I361 VanDerWaalsContact N-O 3.11Å; T275-I361 PolarHBondContact OG1-O 3.28Å
276	N	97.6	Very high	95.4	Very high	28 Å²	28	54.4 Å²	54.4	15%	0.15	28%	0.276	C	S	.	.	H	α-helix	trans	-56.1	-41	173.5	-66.3	-36.9	0	0	0	111.2	D245 D246 S248 S249 A278 F279 E280	D245-N276 PolarHBondContact O-ND2 3.14Å; D246-N276 WeakPolarHBondContact CA-ND2 3.49Å; D246-N276 VanDerWaalsContact O-CG 3.22Å; D246-N276 PolarHBondContact O-N 3.45Å; D246-N276 PolarHBondContact O-ND2 3.31Å; D246-N276 PolarHBondContact O-OD1 3.06Å; S248-N276 PolarHBondContact N-OD1 2.96Å; S248-N276 PolarHBondContact OG-ND2 2.82Å; S248-N276 PolarHBondContact OG-OD1 3.44Å; S249-N276 WeakPolarHBondContact CB-OD1 3.45Å; S249-N276 PolarHBondContact N-OD1 3.43Å; S249-N276 PolarHBondContact OG-OD1 2.95Å; N276-A278 PolarHBondContact O-N 3.05Å; N276-F279 PolarHBondContact O-N 2.78Å; N276-F279 VanDerWaalsContact O-N 3.08Å; N276-E280 WeakPolarHBondContact O-CG 3.46Å; N276-E280 PolarHBondContact O-N 3.02Å
277	E	97.2	Very high	95.3	Very high	97 Å²	97	50.3 Å²	50.3	45%	0.453	25%	0.254	S	S	.	.	H	α-helix	trans	-59.3	-35.2	175.7	-164.8	-165.7	142.3	0	0	112.3	T275 F279 E280 K281	T275-E277 PolarHBondContact O-N 3.08Å; E277-F279 VanDerWaalsContact C-N 3.33Å; E277-F279 PolarHBondContact O-N 3.01Å; E277-E280 PolarHBondContact O-N 3.03Å; E277-K281 WeakPolarHBondContact O-CG 3.22Å; E277-K281 PolarHBondContact O-N 3.31Å; E277-K281 WeakPolarHBondContact OE1-CE 3.47Å; E277-K281 IonicContact OE1-NZ 3.54Å; E277-K281 PolarHBondContact OE1-NZ 3.44Å
278	A	97.4	Very high	95.4	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.008	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-39.6	176.2	0	0	0	0	0	112.1	P274 T275 N276 D362 V364	P274-A278 HydrophobicContact CB-CB 3.8Å; T275-A278 WeakPolarHBondContact O-CB 3.49Å; T275-A278 PolarHBondContact O-N 3.05Å; T275-A278 PolarHBondContact OG1-N 3.45Å; N276-A278 PolarHBondContact O-N 3.05Å; A278-D362 WeakPolarHBondContact CA-O 3.4Å; A278-D362 VanDerWaalsContact CB-C 3.41Å; A278-V364 HydrophobicContact CB-CG2 4.08Å
279	F	96.1	Very high	95.4	Very high	11 Å²	11	54 Å²	54	5%	0.048	26%	0.26	C	S	.	.	H	α-helix	trans	-72	-36.1	175.7	-78	-86.3	0	0	0	112.3	F250 P274 T275 N276 E277 K281 L282 L287 V364	F250-F279 HydrophobicContact CB-CE2 3.91Å; F250-F279 HydrophobicContact CB-CZ 4.39Å; F250-F279 HydrophobicContact CD2-CE2 4.31Å; F250-F279 HydrophobicContact CD2-CZ 4.2Å; P274-F279 HydrophobicContact CB-CD2 4.42Å; P274-F279 HydrophobicContact CB-CE2 3.97Å; P274-F279 HydrophobicContact CG-CE2 3.63Å; P274-F279 HydrophobicContact CG-CZ 4Å; T275-F279 WeakPolarHBondContact O-CD2 3.28Å; T275-F279 PolarHBondContact O-N 3.01Å; N276-F279 PolarHBondContact O-N 2.78Å; N276-F279 VanDerWaalsContact O-N 3.08Å; E277-F279 VanDerWaalsContact C-N 3.33Å; E277-F279 PolarHBondContact O-N 3.01Å; F279-K281 PolarHBondContact O-N 3.15Å; F279-L282 HydrophobicContact CD1-CD1 4.04Å; F279-L282 VanDerWaalsContact O-CB 3.28Å; F279-L282 WeakPolarHBondContact O-CB 3.33Å; F279-L282 WeakPolarHBondContact O-CG 3.43Å; F279-L282 PolarHBondContact O-N 2.87Å; F279-L282 VanDerWaalsContact O-N 3.1Å; F279-L287 HydrophobicContact CD1-CD1 3.67Å; F279-L287 HydrophobicContact CD1-CD2 3.85Å; F279-L287 HydrophobicContact CD1-CG 4.39Å; F279-L287 HydrophobicContact CE1-CD1 3.74Å; F279-V364 HydrophobicContact CD1-CG2 3.93Å; F279-V364 HydrophobicContact CD2-CG2 4.09Å; F279-V364 HydrophobicContact CE1-CG2 4.07Å; F279-V364 HydrophobicContact CE2-CG2 4.23Å; F279-V364 HydrophobicContact CG-CG2 3.95Å; F279-V364 HydrophobicContact CZ-CG2 4.22Å
280	E	95.4	Very high	95.3	Very high	160 Å²	160	52.7 Å²	52.7	75%	0.748	26%	0.255	S	S	*	.	H	α-helix	trans	-63.6	-28.3	176.4	-71.1	178.6	-179	0	0	113.1	N276 E277 L282	N276-E280 WeakPolarHBondContact O-CG 3.46Å; N276-E280 PolarHBondContact O-N 3.02Å; E277-E280 PolarHBondContact O-N 3.03Å; E280-L282 PolarHBondContact O-N 3.12Å
281	K	96.4	Very high	95	Very high	107 Å²	107	54.7 Å²	54.7	47%	0.465	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-12.4	174.9	-73.3	167.2	-174.1	159.4	0	113.7	E277 F279 D362	E277-K281 WeakPolarHBondContact O-CG 3.22Å; E277-K281 PolarHBondContact O-N 3.31Å; E277-K281 WeakPolarHBondContact OE1-CE 3.47Å; E277-K281 IonicContact OE1-NZ 3.54Å; E277-K281 PolarHBondContact OE1-NZ 3.44Å; F279-K281 PolarHBondContact O-N 3.15Å; K281-D362 WeakPolarHBondContact CD-O 3.31Å; K281-D362 PolarHBondContact NZ-O 2.83Å; K281-D362 VanDerWaalsContact NZ-O 3.13Å
282	L	94.5	Very high	94.8	Very high	31 Å²	31	58.1 Å²	58.1	16%	0.162	30%	0.3	C	S	.	.	S	Bend	trans	-68.9	141.8	178.9	-65.7	178.7	0	0	0	111.2	F279 E280 L287 V364 I366	F279-L282 HydrophobicContact CD1-CD1 4.04Å; F279-L282 VanDerWaalsContact O-CB 3.28Å; F279-L282 WeakPolarHBondContact O-CB 3.33Å; F279-L282 WeakPolarHBondContact O-CG 3.43Å; F279-L282 PolarHBondContact O-N 2.87Å; F279-L282 VanDerWaalsContact O-N 3.1Å; E280-L282 PolarHBondContact O-N 3.12Å; L282-L287 HydrophobicContact CD1-CB 4.08Å; L282-L287 HydrophobicContact CD1-CD1 4.21Å; L282-V364 HydrophobicContact CD1-CB 4.41Å; L282-V364 HydrophobicContact CD1-CG2 4.16Å; L282-V364 HydrophobicContact CD2-CB 4.15Å; L282-V364 HydrophobicContact CG-CG2 4.38Å; L282-I366 HydrophobicContact CD2-CD1 3.77Å
283	P	93.5	Very high	94.5	Very high	91 Å²	91	60.2 Å²	60.2	59%	0.591	31%	0.311	S	S	*	.	P	Polyproline II helix	trans	-58.3	146.1	173	-21.5	31.9	0	0	0	111.8	G285 V286	P283-G285 PolarHBondContact O-N 3.47Å; P283-V286 HydrophobicContact CB-CG2 3.85Å; P283-V286 HydrophobicContact CG-CG2 4.18Å; P283-V286 WeakPolarHBondContact O-CB 3.44Å; P283-V286 PolarHBondContact O-N 3.34Å; P283-V286 VanDerWaalsContact O-N 3.12Å
284	R	90.5	Very high	94.3	Very high	253 Å²	253	66.6 Å²	66.6	96%	0.955	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	133.4	179.5	-69	-176.2	179.4	172.5	-0.2	110.9	V286	R284-V286 VanDerWaalsContact C-N 3.28Å; R284-V286 PolarHBondContact O-N 3.02Å
285	G	89.4	Confident	94.1	Very high	40 Å²	40	70.1 Å²	70.1	41%	0.412	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	-15.1	179	0	0	0	0	0	115.5	P283 R289	P283-G285 PolarHBondContact O-N 3.47Å; G285-R289 WeakPolarHBondContact O-CB 3.1Å; G285-R289 PolarHBondContact O-N 3.18Å
286	V	92.1	Very high	93.9	Very high	18 Å²	18	70.1 Å²	70.1	11%	0.109	36%	0.36	C	S	.	.	H	α-helix	trans	-66	-47.8	178.1	172.9	0	0	0	0	111	P283 R284 R289 I290 I366	P283-V286 HydrophobicContact CB-CG2 3.85Å; P283-V286 HydrophobicContact CG-CG2 4.18Å; P283-V286 WeakPolarHBondContact O-CB 3.44Å; P283-V286 PolarHBondContact O-N 3.34Å; P283-V286 VanDerWaalsContact O-N 3.12Å; R284-V286 VanDerWaalsContact C-N 3.28Å; R284-V286 PolarHBondContact O-N 3.02Å; V286-R289 PolarHBondContact O-N 3.28Å; V286-I290 HydrophobicContact CG1-CD1 3.81Å; V286-I290 WeakPolarHBondContact O-CG1 3.28Å; V286-I290 PolarHBondContact O-N 3.08Å; V286-I366 HydrophobicContact CG1-CD1 4.22Å
287	L	91.5	Very high	93.9	Very high	56 Å²	56	68.8 Å²	68.8	29%	0.293	35%	0.353	S	S	.	.	H	α-helix	trans	-62.5	-48.1	179.1	-178.5	59.8	0	0	0	111.5	F279 L282 R289 I290 M291	F279-L287 HydrophobicContact CD1-CD1 3.67Å; F279-L287 HydrophobicContact CD1-CD2 3.85Å; F279-L287 HydrophobicContact CD1-CG 4.39Å; F279-L287 HydrophobicContact CE1-CD1 3.74Å; L282-L287 HydrophobicContact CD1-CB 4.08Å; L282-L287 HydrophobicContact CD1-CD1 4.21Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.35Å; L287-I290 PolarHBondContact O-N 3.12Å; L287-M291 HydrophobicContact CD1-CE 4.29Å; L287-M291 HydrophobicContact CD1-CG 3.8Å; L287-M291 HydrophobicContact CD1-SD 4.44Å; L287-M291 HydrophobicContact CG-CG 4.19Å; L287-M291 WeakPolarHBondContact O-CB 3.31Å; L287-M291 VanDerWaalsContact O-CG 3.29Å; L287-M291 WeakPolarHBondContact O-CG 3.28Å; L287-M291 PolarHBondContact O-N 2.82Å
288	E	92	Very high	93.8	Very high	157 Å²	157	67.2 Å²	67.2	73%	0.734	35%	0.346	S	S	*	.	H	α-helix	trans	-58	-43.9	177.9	-174.7	179.8	-174.8	0	0	111.4	M291 G292	E288-M291 PolarHBondContact O-N 2.87Å; E288-G292 PolarHBondContact O-N 2.92Å
289	R	93.3	Very high	93.8	Very high	53 Å²	53	67.8 Å²	67.8	20%	0.2	35%	0.351	C	S	.	.	H	α-helix	trans	-60.5	-45.8	175.4	179.9	-176.5	62.9	72.7	-8.5	112.3	G285 V286 L287 D293 A370 Q372 E375	G285-R289 WeakPolarHBondContact O-CB 3.1Å; G285-R289 PolarHBondContact O-N 3.18Å; V286-R289 PolarHBondContact O-N 3.28Å; L287-R289 VanDerWaalsContact C-N 3.31Å; L287-R289 PolarHBondContact O-N 3.35Å; R289-D293 PolarHBondContact O-N 3.1Å; R289-A370 PolarHBondContact NH1-O 3.33Å; R289-Q372 VanDerWaalsContact CZ-CG 3.47Å; R289-E375 IonicContact CZ-OE1 3.9Å; R289-E375 IonicContact CZ-OE2 3.61Å; R289-E375 IonicContact NE-OE1 2.63Å; R289-E375 VanDerWaalsContact NH2-CD 3.27Å; R289-E375 IonicContact NH2-OE1 3.93Å; R289-E375 PolarHBondContact NH2-OE1 3.4Å; R289-E375 IonicContact NH2-OE2 2.7Å; R289-E375 PolarHBondContact NH2-OE2 3.08Å
290	I	94.6	Very high	93.8	Very high	1 Å²	1	67.3 Å²	67.3	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-69.5	-43.6	-178.6	-65.7	170.8	0	0	0	110.2	V286 L287 G292 D293 A296 S297 L300 I366 A370	V286-I290 HydrophobicContact CG1-CD1 3.81Å; V286-I290 WeakPolarHBondContact O-CG1 3.28Å; V286-I290 PolarHBondContact O-N 3.08Å; L287-I290 PolarHBondContact O-N 3.12Å; I290-G292 VanDerWaalsContact C-N 3.3Å; I290-G292 PolarHBondContact O-N 3.03Å; I290-D293 CarbonylContact O-C 3.16Å; I290-D293 PolarHBondContact O-N 3.44Å; I290-A296 HydrophobicContact CG2-CB 3.93Å; I290-S297 WeakPolarHBondContact O-CB 3.28Å; I290-S297 PolarHBondContact O-N 3.47Å; I290-L300 HydrophobicContact CG2-CB 4.11Å; I290-L300 HydrophobicContact CG2-CD2 3.93Å; I290-I366 HydrophobicContact CD1-CD1 4.37Å; I290-I366 HydrophobicContact CD1-CG2 4.15Å; I290-A370 HydrophobicContact CD1-CB 4.49Å
291	M	92.8	Very high	93.9	Very high	42 Å²	42	59.7 Å²	59.7	21%	0.207	31%	0.313	C	S	.	.	H	α-helix	trans	-68.9	-27.4	178.8	-65	-62.6	101.2	0	0	113	A253 L287 E288 D293 L300	A253-M291 HydrophobicContact CB-CE 4.2Å; A253-M291 HydrophobicContact CB-SD 3.59Å; A253-M291 VanDerWaalsContact CB-SD 3.59Å; L287-M291 HydrophobicContact CD1-CE 4.29Å; L287-M291 HydrophobicContact CD1-CG 3.8Å; L287-M291 HydrophobicContact CD1-SD 4.44Å; L287-M291 HydrophobicContact CG-CG 4.19Å; L287-M291 WeakPolarHBondContact O-CB 3.31Å; L287-M291 VanDerWaalsContact O-CG 3.29Å; L287-M291 WeakPolarHBondContact O-CG 3.28Å; L287-M291 PolarHBondContact O-N 2.82Å; E288-M291 PolarHBondContact O-N 2.87Å; M291-D293 VanDerWaalsContact C-N 3.26Å; M291-D293 PolarHBondContact O-N 3.37Å; M291-L300 HydrophobicContact CE-CD2 3.68Å
292	G	92.3	Very high	94	Very high	72 Å²	72	57.8 Å²	57.8	74%	0.742	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-13.5	173.5	0	0	0	0	0	114.4	E288 I290	E288-G292 PolarHBondContact O-N 2.92Å; I290-G292 VanDerWaalsContact C-N 3.3Å; I290-G292 PolarHBondContact O-N 3.03Å
293	D	93.6	Very high	94.2	Very high	45 Å²	45	57.4 Å²	57.4	24%	0.241	30%	0.301	C	S	.	.	S	Bend	trans	-115.6	106.2	177.1	-179.9	-14.4	0	0	0	110	R289 I290 M291 V295 A296 S297 R481	R289-D293 PolarHBondContact O-N 3.1Å; I290-D293 CarbonylContact O-C 3.16Å; I290-D293 PolarHBondContact O-N 3.44Å; M291-D293 VanDerWaalsContact C-N 3.26Å; M291-D293 PolarHBondContact O-N 3.37Å; D293-V295 PolarHBondContact O-N 2.89Å; D293-V295 VanDerWaalsContact O-N 3.08Å; D293-V295 PolarHBondContact OD1-N 3.16Å; D293-A296 HydrophobicContact CB-CB 3.9Å; D293-A296 PolarHBondContact O-N 3.34Å; D293-A296 PolarHBondContact OD1-N 2.8Å; D293-S297 PolarHBondContact O-N 3.35Å; D293-R481 IonicContact OD1-NE 4Å; D293-R481 IonicContact OD1-NH2 2.66Å; D293-R481 WeakPolarHBondContact OD2-CD 3.32Å; D293-R481 IonicContact OD2-CZ 3.53Å; D293-R481 IonicContact OD2-NE 2.8Å; D293-R481 PolarHBondContact OD2-NE 3.06Å; D293-R481 IonicContact OD2-NH2 2.71Å
294	K	93	Very high	94.4	Very high	134 Å²	134	53.1 Å²	53.1	58%	0.583	27%	0.273	S	S	*	.	H	α-helix	trans	-51.8	-37.1	-178.3	-175	175.2	-179.6	176.4	0	113.1	S297 E298	K294-S297 PolarHBondContact O-OG 2.91Å; K294-E298 WeakPolarHBondContact O-CB 3.49Å; K294-E298 PolarHBondContact O-N 3.32Å
295	V	94.3	Very high	94.8	Very high	75 Å²	75	41.2 Å²	41.2	46%	0.455	23%	0.228	S	C	.	.	H	α-helix	trans	-71.9	-40.4	-179	-176.7	0	0	0	0	110.5	D293 A299 R481	D293-V295 PolarHBondContact O-N 2.89Å; D293-V295 VanDerWaalsContact O-N 3.08Å; D293-V295 PolarHBondContact OD1-N 3.16Å; V295-A299 VanDerWaalsContact O-CB 3.31Å; V295-A299 WeakPolarHBondContact O-CB 3.47Å; V295-A299 PolarHBondContact O-N 2.79Å; V295-A299 VanDerWaalsContact O-N 3.09Å; V295-R481 VanDerWaalsContact CG1-NH1 3.33Å
296	A	95.7	Very high	95.2	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-69.1	-41	177.2	0	0	0	0	0	111.7	I290 D293 L300 A370	I290-A296 HydrophobicContact CG2-CB 3.93Å; D293-A296 HydrophobicContact CB-CB 3.9Å; D293-A296 PolarHBondContact O-N 3.34Å; D293-A296 PolarHBondContact OD1-N 2.8Å; A296-L300 WeakPolarHBondContact O-CB 3.18Å; A296-L300 PolarHBondContact O-N 3.11Å; A296-A370 HydrophobicContact CB-CB 4.13Å
297	S	95.8	Very high	95.3	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.007	23%	0.226	C	C	.	.	H	α-helix	trans	-67.9	-40.2	179.3	76.6	0	0	0	0	112.1	S257 I290 D293 K294 L300 M301	S257-S297 WeakPolarHBondContact OG-CB 3.22Å; S257-S297 PolarHBondContact OG-O 3.24Å; S257-S297 PolarHBondContact OG-OG 2.71Å; I290-S297 WeakPolarHBondContact O-CB 3.28Å; I290-S297 PolarHBondContact O-N 3.47Å; D293-S297 PolarHBondContact O-N 3.35Å; K294-S297 PolarHBondContact O-OG 2.91Å; S297-L300 PolarHBondContact O-N 3.11Å; S297-M301 WeakPolarHBondContact O-CG 3.28Å; S297-M301 PolarHBondContact O-N 2.81Å; S297-M301 VanDerWaalsContact O-N 3.11Å
298	E	95.8	Very high	95.4	Very high	64 Å²	64	43 Å²	43	30%	0.299	23%	0.231	S	C	.	.	H	α-helix	trans	-64.4	-47.1	175.3	-169.8	-173.2	153	0	0	111.1	I259 K294 L300 M301 K302	I259-E298 HydrophobicContact CD1-CG 3.96Å; K294-E298 WeakPolarHBondContact O-CB 3.49Å; K294-E298 PolarHBondContact O-N 3.32Å; E298-L300 VanDerWaalsContact C-N 3.34Å; E298-L300 PolarHBondContact O-N 3.44Å; E298-M301 PolarHBondContact O-N 3.21Å; E298-K302 HydrophobicContact CG-CD 4.17Å; E298-K302 WeakPolarHBondContact O-CB 3.45Å; E298-K302 WeakPolarHBondContact O-CG 3.38Å; E298-K302 PolarHBondContact O-N 3.12Å; E298-K302 VanDerWaalsContact OE1-CE 3.3Å; E298-K302 WeakPolarHBondContact OE1-CE 3.4Å; E298-K302 IonicContact OE1-NZ 3.57Å; E298-K302 PolarHBondContact OE1-NZ 3.42Å
299	A	97.1	Very high	95.6	Very high	13 Å²	13	36.1 Å²	36.1	11%	0.107	20%	0.199	C	C	.	.	H	α-helix	trans	-59.4	-44.7	175.6	0	0	0	0	0	111.6	V295 M301 K302 Y303 E325 P367 S369	V295-A299 VanDerWaalsContact O-CB 3.31Å; V295-A299 WeakPolarHBondContact O-CB 3.47Å; V295-A299 PolarHBondContact O-N 2.79Å; V295-A299 VanDerWaalsContact O-N 3.09Å; A299-M301 VanDerWaalsContact C-N 3.35Å; A299-M301 PolarHBondContact O-N 3.08Å; A299-K302 PolarHBondContact O-N 3.05Å; A299-Y303 WeakPolarHBondContact O-CB 3.35Å; A299-Y303 PolarHBondContact O-N 3.48Å; A299-E325 HydrophobicContact CB-CG 3.87Å; A299-P367 HydrophobicContact CB-CG 4.21Å; A299-S369 WeakPolarHBondContact CB-OG 3.28Å
300	L	97.3	Very high	95.7	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-55.4	-49.6	177	-179	70.8	0	0	0	111.5	I290 M291 A296 S297 E298 Y303 H304 V364 L365 I366	I290-L300 HydrophobicContact CG2-CB 4.11Å; I290-L300 HydrophobicContact CG2-CD2 3.93Å; M291-L300 HydrophobicContact CE-CD2 3.68Å; A296-L300 WeakPolarHBondContact O-CB 3.18Å; A296-L300 PolarHBondContact O-N 3.11Å; S297-L300 PolarHBondContact O-N 3.11Å; E298-L300 VanDerWaalsContact C-N 3.34Å; E298-L300 PolarHBondContact O-N 3.44Å; L300-Y303 PolarHBondContact O-N 3.48Å; L300-H304 PolarHBondContact O-CE1 2.91Å; L300-H304 PolarHBondContact O-ND1 3.36Å; L300-V364 HydrophobicContact CD1-CG1 3.76Å; L300-V364 HydrophobicContact CD2-CG1 4.43Å; L300-V364 HydrophobicContact CG-CG1 4.48Å; L300-L365 VanDerWaalsContact CD1-O 3.28Å; L300-L365 WeakPolarHBondContact CD1-O 3.38Å; L300-I366 HydrophobicContact CD1-CB 4.35Å; L300-I366 HydrophobicContact CD1-CG1 4.07Å; L300-I366 HydrophobicContact CD1-CG2 4.46Å
301	M	97.1	Very high	95.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-46.3	-178.5	-68.8	-57.2	94.1	0	0	111.7	F250 A253 A254 I259 S297 E298 A299 Y303 H304	F250-M301 HydrophobicContact CD2-CE 4.2Å; F250-M301 HydrophobicContact CD2-SD 3.99Å; F250-M301 HydrophobicContact CE2-CE 3.96Å; F250-M301 HydrophobicContact CE2-SD 3.54Å; F250-M301 VanDerWaalsContact CE2-SD 3.54Å; F250-M301 HydrophobicContact CZ-SD 4.08Å; A253-M301 HydrophobicContact CB-CE 3.82Å; A253-M301 HydrophobicContact CB-SD 3.82Å; A254-M301 HydrophobicContact CB-SD 4.35Å; I259-M301 HydrophobicContact CB-CB 4.49Å; I259-M301 HydrophobicContact CD1-CB 3.26Å; I259-M301 HydrophobicContact CD1-CG 4Å; I259-M301 HydrophobicContact CG1-CB 4.46Å; I259-M301 HydrophobicContact CG2-CB 4.44Å; S297-M301 WeakPolarHBondContact O-CG 3.28Å; S297-M301 PolarHBondContact O-N 2.81Å; S297-M301 VanDerWaalsContact O-N 3.11Å; E298-M301 PolarHBondContact O-N 3.21Å; A299-M301 VanDerWaalsContact C-N 3.35Å; A299-M301 PolarHBondContact O-N 3.08Å; M301-Y303 PolarHBondContact O-N 3.11Å; M301-H304 PolarHBondContact O-N 3.27Å; M301-H304 VanDerWaalsContact O-N 3.14Å
302	K	97.6	Very high	95.9	Very high	66 Å²	66	32.9 Å²	32.9	29%	0.287	19%	0.186	S	C	.	.	H	α-helix	trans	-62.3	-29.3	178.6	-75.5	-179.6	172	176.5	0	113.1	I259 E298 A299 H304 I305 L324 E325	I259-K302 HydrophobicContact CD1-CG 4.02Å; E298-K302 HydrophobicContact CG-CD 4.17Å; E298-K302 WeakPolarHBondContact O-CB 3.45Å; E298-K302 WeakPolarHBondContact O-CG 3.38Å; E298-K302 PolarHBondContact O-N 3.12Å; E298-K302 VanDerWaalsContact OE1-CE 3.3Å; E298-K302 WeakPolarHBondContact OE1-CE 3.4Å; E298-K302 IonicContact OE1-NZ 3.57Å; E298-K302 PolarHBondContact OE1-NZ 3.42Å; A299-K302 PolarHBondContact O-N 3.05Å; K302-H304 PolarHBondContact O-N 3.12Å; K302-I305 PolarHBondContact O-N 2.91Å; K302-I305 VanDerWaalsContact O-N 3.14Å; K302-L324 HydrophobicContact CB-CB 3.96Å; K302-L324 HydrophobicContact CG-CB 4.18Å; K302-L324 PolarHBondContact O-N 2.78Å; K302-E325 HydrophobicContact CB-CB 3.81Å
303	Y	98.4	Very high	95.9	Very high	24 Å²	24	30.1 Å²	30.1	9%	0.094	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-16.1	178.6	-163.7	-121.6	0	0	0	113.7	A299 L300 M301 T323 E325 N327 T328 I329 L365 P367	A299-Y303 WeakPolarHBondContact O-CB 3.35Å; A299-Y303 PolarHBondContact O-N 3.48Å; L300-Y303 PolarHBondContact O-N 3.48Å; M301-Y303 PolarHBondContact O-N 3.11Å; Y303-T323 HydrophobicContact CD2-CG2 3.85Å; Y303-T323 WeakPolarHBondContact CD2-OG1 3.47Å; Y303-T323 HydrophobicContact CE2-CG2 4.04Å; Y303-T323 VanDerWaalsContact O-CG2 3.3Å; Y303-T323 WeakPolarHBondContact O-CG2 3.25Å; Y303-E325 HydrophobicContact CD2-CB 4.19Å; Y303-N327 HydrophobicContact CD2-CB 4.25Å; Y303-N327 HydrophobicContact CE2-CB 3.65Å; Y303-T328 PolarHBondContact OH-O 3Å; Y303-I329 HydrophobicContact CE1-CG2 4Å; Y303-I329 HydrophobicContact CE2-CG2 3.82Å; Y303-I329 VanDerWaalsContact CZ-CG2 3.48Å; Y303-I329 WeakPolarHBondContact OH-CG2 3.44Å; Y303-L365 HydrophobicContact CD1-CB 3.64Å; Y303-L365 WeakPolarHBondContact CD1-O 3.13Å; Y303-L365 HydrophobicContact CE1-CB 3.93Å; Y303-P367 HydrophobicContact CD1-CB 3.88Å; Y303-P367 HydrophobicContact CD1-CG 4.28Å; Y303-P367 HydrophobicContact CD2-CB 3.83Å; Y303-P367 HydrophobicContact CE1-CB 4.27Å; Y303-P367 HydrophobicContact CE2-CB 4.28Å; Y303-P367 HydrophobicContact CG-CB 3.64Å; Y303-P367 HydrophobicContact CG-CG 4.04Å
304	H	98.4	Very high	95.8	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-4.7	174.8	-68	81.7	0	0	0	113.4	L271 F272 L300 M301 K302 L365	L271-H304 HydrophobicContact CD1-CB 4.18Å; F272-H304 PolarHBondContact N-O 3.3Å; F272-H304 WeakPolarHBondContact O-CB 3.41Å; F272-H304 PolarHBondContact O-CD2 3.01Å; L300-H304 PolarHBondContact O-CE1 2.91Å; L300-H304 PolarHBondContact O-ND1 3.36Å; M301-H304 PolarHBondContact O-N 3.27Å; M301-H304 VanDerWaalsContact O-N 3.14Å; K302-H304 PolarHBondContact O-N 3.12Å; H304-L365 PolarHBondContact CE1-N 3.27Å; H304-L365 PolarHBondContact CE1-O 3.13Å; H304-L365 WeakPolarHBondContact NE2-CB 3.3Å; H304-L365 PolarHBondContact NE2-N 2.78Å
305	I	98.2	Very high	95.7	Very high	3 Å²	3	22.5 Å²	22.5	2%	0.015	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	129	-170.5	-53	162.6	0	0	0	109.8	I259 L263 F269 T270 L271 K302 T323 L324	I259-I305 HydrophobicContact CG2-CD1 3.86Å; L263-I305 HydrophobicContact CD1-CD1 4.43Å; L263-I305 HydrophobicContact CD2-CD1 3.86Å; L263-I305 HydrophobicContact CD2-CG1 4.31Å; L263-I305 HydrophobicContact CD2-CG2 4.46Å; L263-I305 HydrophobicContact CG-CD1 4.43Å; F269-I305 HydrophobicContact CB-CG2 4.34Å; F269-I305 HydrophobicContact CD1-CG2 4.02Å; F269-I305 HydrophobicContact CG-CG2 4.46Å; T270-I305 CarbonylContact O-C 3.47Å; T270-I305 WeakPolarHBondContact O-CA 3.33Å; L271-I305 HydrophobicContact CD1-CG1 3.85Å; K302-I305 PolarHBondContact O-N 2.91Å; K302-I305 VanDerWaalsContact O-N 3.14Å; I305-T323 CarbonylContact O-C 3.5Å; I305-T323 VanDerWaalsContact O-CA 3.31Å; I305-T323 WeakPolarHBondContact O-CA 3.29Å; I305-L324 HydrophobicContact CB-CB 4.45Å; I305-L324 HydrophobicContact CB-CD1 3.82Å; I305-L324 HydrophobicContact CB-CG 4.08Å; I305-L324 HydrophobicContact CD1-CD1 4.33Å; I305-L324 HydrophobicContact CG2-CD1 3.44Å; I305-L324 VanDerWaalsContact CG2-CD1 3.44Å; I305-L324 HydrophobicContact CG2-CG 3.92Å; I305-L324 PolarHBondContact O-N 2.94Å
306	L	97.8	Very high	95.3	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	146.8	166.4	-53.6	-178.7	0	0	0	110.4	F269 T270 F272 T308 Q310 F321 E322 T323 I329 I331	F269-L306 WeakPolarHBondContact CA-O 3.29Å; T270-L306 HydrophobicContact CG2-CD1 4.41Å; T270-L306 PolarHBondContact N-O 2.89Å; T270-L306 PolarHBondContact O-N 3.31Å; F272-L306 HydrophobicContact CE2-CD1 4.06Å; F272-L306 HydrophobicContact CE2-CG 4.28Å; L306-T308 PolarHBondContact O-N 2.96Å; L306-Q310 HydrophobicContact CD1-CG 4.05Å; L306-F321 HydrophobicContact CD1-CB 3.95Å; L306-F321 HydrophobicContact CD1-CD1 4.35Å; L306-F321 HydrophobicContact CD1-CG 4.17Å; L306-F321 HydrophobicContact CD2-CB 3.87Å; L306-E322 WeakPolarHBondContact CD2-O 3.33Å; L306-T323 HydrophobicContact CD2-CG2 4Å; L306-I329 HydrophobicContact CD2-CD1 4.03Å; L306-I329 HydrophobicContact CD2-CG1 4.23Å; L306-I331 HydrophobicContact CD1-CD1 3.64Å
307	N	94.9	Very high	94.9	Very high	89 Å²	89	20.8 Å²	20.8	48%	0.476	11%	0.114	S	C	.	.	S	Bend	trans	-83.1	14.5	175.2	-155.9	21.2	0	0	0	113.9	H268 L324	H268-N307 PolarHBondContact CE1-O 2.89Å; H268-N307 PolarHBondContact ND1-O 3.39Å; H268-N307 CarbonylContact O-C 3.55Å; N307-L324 HydrophobicContact CB-CD2 3.83Å
308	T	93.3	Very high	94.6	Very high	62 Å²	62	23.2 Å²	23.2	38%	0.38	14%	0.14	S	C	.	.	S	Bend	trans	-138.9	148.2	177.4	58.2	0	0	0	0	110	H268 T270 L306 Q310	H268-T308 CarbonylContact O-C 3.54Å; H268-T308 VanDerWaalsContact O-CA 3.23Å; H268-T308 WeakPolarHBondContact O-CA 3.21Å; H268-T308 PolarHBondContact O-N 3.32Å; T270-T308 WeakPolarHBondContact CB-O 3.47Å; T270-T308 PolarHBondContact N-O 2.95Å; T270-T308 PolarHBondContact OG1-O 3.46Å; L306-T308 PolarHBondContact O-N 2.96Å; T308-Q310 PolarHBondContact O-N 3.41Å; T308-Q310 PolarHBondContact OG1-NE2 3.24Å
309	L	95.6	Very high	94.4	Very high	12 Å²	12	22.1 Å²	22.1	6%	0.063	14%	0.141	C	C	.	.			trans	-83.9	113.2	-179.5	-166.8	167.3	0	0	0	110.9	N197 Y199 H268 T270 C311 V357	N197-L309 WeakPolarHBondContact ND2-CD2 3.33Å; Y199-L309 WeakPolarHBondContact CE1-O 3.49Å; Y199-L309 PolarHBondContact OH-O 2.95Å; H268-L309 HydrophobicContact CB-CB 4.31Å; H268-L309 PolarHBondContact O-N 3.3Å; T270-L309 WeakPolarHBondContact OG1-CA 3.48Å; L309-C311 WeakPolarHBondContact CD2-SG 3.31Å; L309-V357 HydrophobicContact CD2-CB 4.25Å; L309-V357 HydrophobicContact CD2-CG1 3.92Å; L309-V357 HydrophobicContact CG-CB 4.23Å; L309-V357 HydrophobicContact CG-CG1 3.91Å
310	Q	96.4	Very high	94.4	Very high	23 Å²	23	26.6 Å²	26.6	11%	0.107	17%	0.167	C	C	.	.			trans	-116.2	95.8	-178.4	-56.5	-56.2	-30.8	0	0	109.9	T270 L306 T308 F321 H359	T270-Q310 HydrophobicContact CG2-CB 4.5Å; T270-Q310 PolarHBondContact OG1-N 3.18Å; L306-Q310 HydrophobicContact CD1-CG 4.05Å; T308-Q310 PolarHBondContact O-N 3.41Å; T308-Q310 PolarHBondContact OG1-NE2 3.24Å; Q310-F321 HydrophobicContact CG-CD1 4.31Å; Q310-F321 HydrophobicContact CG-CE1 3.91Å; Q310-F321 HydrophobicContact CG-CZ 4.32Å; Q310-H359 PolarHBondContact O-NE2 2.97Å
311	C	96.5	Very high	94.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	18%	0.175	C	C	.	.			trans	-68.6	147.7	170	-59.3	0	0	0	0	110.5	Y199 T205 C208 L309 E313 S314 D350	Y199-C311 PolarHBondContact OH-N 2.81Å; Y199-C311 VanDerWaalsContact OH-N 3.08Å; Y199-C311 PolarHBondContact OH-SG 3.4Å; T205-C311 HydrophobicContact CG2-CB 4.32Å; C208-C311 WeakPolarHBondContact CA-SG 3.49Å; C208-C311 HydrophobicContact CB-CB 3.58Å; C208-C311 WeakPolarHBondContact CB-SG 3.41Å; C208-C311 WeakPolarHBondContact SG-CB 3.28Å; C208-C311 CovalentContact SG-SG 2.04Å; C208-C311 PolarHBondContact SG-SG 2.78Å; L309-C311 WeakPolarHBondContact CD2-SG 3.31Å; C311-E313 VanDerWaalsContact C-N 3.28Å; C311-E313 PolarHBondContact O-N 3.25Å; C311-S314 WeakPolarHBondContact O-CB 3.35Å; C311-S314 PolarHBondContact O-N 3.11Å; C311-S314 PolarHBondContact O-OG 3.31Å; C311-D350 WeakPolarHBondContact CA-OD1 3.43Å
312	S	94.4	Very high	94.4	Very high	6 Å²	6	34.8 Å²	34.8	4%	0.042	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-60	-37.8	-175.9	79.4	0	0	0	0	112.8	S314 I315 D350	S312-S314 PolarHBondContact O-N 2.98Å; S312-I315 PolarHBondContact O-N 3.43Å; S312-I315 VanDerWaalsContact O-N 3.08Å; S312-D350 WeakPolarHBondContact CB-OD1 3Å; S312-D350 WeakPolarHBondContact CB-OD2 3.37Å; S312-D350 PolarHBondContact N-OD1 3.46Å; S312-D350 PolarHBondContact OG-OD2 3.41Å
313	E	91.8	Very high	94.4	Very high	14 Å²	14	31.9 Å²	31.9	7%	0.065	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-71	-10.3	179.1	-71.8	-64.7	135	0	0	113.9	K54 Y56 R210 C311 I315	K54-E313 IonicContact NZ-OE1 2.92Å; K54-E313 PolarHBondContact NZ-OE1 3.44Å; Y56-E313 PolarHBondContact OH-OE2 3.46Å; Y56-E313 VanDerWaalsContact OH-OE2 3.06Å; R210-E313 HydrophobicContact CB-CB 3.94Å; R210-E313 HydrophobicContact CB-CG 4.23Å; R210-E313 IonicContact CZ-OE2 2.68Å; R210-E313 IonicContact NE-OE2 2.92Å; R210-E313 PolarHBondContact NE-OE2 3.45Å; R210-E313 IonicContact NH2-OE2 3.34Å; C311-E313 VanDerWaalsContact C-N 3.28Å; C311-E313 PolarHBondContact O-N 3.25Å; E313-I315 VanDerWaalsContact C-N 3.32Å
314	S	91.4	Very high	94.3	Very high	5 Å²	5	34 Å²	34	4%	0.035	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-78.1	-19.8	171	87.3	0	0	0	0	112.3	Y199 N201 C311 S312 M316	Y199-S314 VanDerWaalsContact CD2-CB 3.4Å; Y199-S314 VanDerWaalsContact CE2-CB 3.4Å; N201-S314 PolarHBondContact ND2-O 3.39Å; C311-S314 WeakPolarHBondContact O-CB 3.35Å; C311-S314 PolarHBondContact O-N 3.11Å; C311-S314 PolarHBondContact O-OG 3.31Å; S312-S314 PolarHBondContact O-N 2.98Å; S314-M316 PolarHBondContact O-N 3.09Å
315	I	91.7	Very high	94.2	Very high	14 Å²	14	35.9 Å²	35.9	7%	0.072	21%	0.214	C	C	.	.			trans	-88.4	107.7	-175	-51.1	-58.3	0	0	0	109.5	S312 E313 F321 I331 C333 I338	S312-I315 PolarHBondContact O-N 3.43Å; S312-I315 VanDerWaalsContact O-N 3.08Å; E313-I315 VanDerWaalsContact C-N 3.32Å; I315-F321 HydrophobicContact CD1-CE2 4.36Å; I315-F321 HydrophobicContact CD1-CZ 4.28Å; I315-I331 HydrophobicContact CD1-CG2 3.99Å; I315-I331 HydrophobicContact CG1-CG2 4.04Å; I315-I331 HydrophobicContact CG2-CG2 4.25Å; I315-C333 HydrophobicContact CG2-CB 4.25Å; I315-C333 PolarHBondContact O-SG 2.63Å; I315-I338 HydrophobicContact CB-CD1 4.06Å; I315-I338 HydrophobicContact CG1-CD1 4.32Å; I315-I338 HydrophobicContact CG2-CD1 4.43Å
316	M	86.1	Confident	94.1	Very high	10 Å²	10	37.5 Å²	37.5	5%	0.049	23%	0.232	C	C	.	.	S	Bend	trans	-108.6	-1.7	179.4	-61.6	-178	71.4	0	0	113.4	Y56 I68 C69 N201 V203 S314 C333	Y56-M316 HydrophobicContact CD1-CE 3.62Å; Y56-M316 HydrophobicContact CD1-CG 4.5Å; Y56-M316 HydrophobicContact CD1-SD 4.1Å; Y56-M316 HydrophobicContact CD2-CE 4.29Å; Y56-M316 HydrophobicContact CE1-CE 4.43Å; Y56-M316 HydrophobicContact CG-CE 3.54Å; I68-M316 HydrophobicContact CD1-CE 3.99Å; I68-M316 HydrophobicContact CG1-CE 4.45Å; I68-M316 HydrophobicContact CG2-CB 4.24Å; I68-M316 HydrophobicContact CG2-CE 4.2Å; C69-M316 PolarHBondContact N-O 2.54Å; N201-M316 HydrophobicContact CB-SD 4.46Å; V203-M316 HydrophobicContact CG2-SD 4.15Å; S314-M316 PolarHBondContact O-N 3.09Å; M316-C333 VanDerWaalsContact C-SG 3.54Å
317	G	87.8	Confident	93.9	Very high	28 Å²	28	41 Å²	41	29%	0.289	25%	0.251	S	S	.	.	S	Bend	trans	173.5	177	-179.4	0	0	0	0	0	111	A319	G317-A319 PolarHBondContact O-N 3.08Å
318	G	90	Very high	94	Very high	53 Å²	53	40.5 Å²	40.5	55%	0.546	25%	0.251	S	S	.	.			trans	-61.1	127.9	-178.1	0	0	0	0	0	113.4	I331	G318-I331 WeakPolarHBondContact CA-O 3.44Å
319	A	91.4	Very high	94.2	Very high	40 Å²	40	37.6 Å²	37.6	33%	0.331	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	148	173	0	0	0	0	0	109.9	G317 F321 E330 I331	G317-A319 PolarHBondContact O-N 3.08Å; A319-F321 HydrophobicContact CB-CD2 4.43Å; A319-F321 HydrophobicContact CB-CE2 3.66Å; A319-F321 HydrophobicContact CB-CZ 4.14Å; A319-E330 CarbonylContact O-C 3.59Å; A319-E330 WeakPolarHBondContact O-CA 3.3Å; A319-I331 PolarHBondContact N-O 2.86Å; A319-I331 PolarHBondContact O-N 3.04Å
320	V	95.9	Very high	94.2	Very high	108 Å²	108	41.7 Å²	41.7	66%	0.655	25%	0.252	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	134.8	178.8	-65.9	0	0	0	0	110	I329	V320-I329 WeakPolarHBondContact CA-O 3.48Å
321	F	96.4	Very high	94.2	Very high	36 Å²	36	40.7 Å²	40.7	16%	0.158	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.1	179.2	-65.9	-92	0	0	0	109.8	L306 Q310 I315 A319 T328 I329 I331	L306-F321 HydrophobicContact CD1-CB 3.95Å; L306-F321 HydrophobicContact CD1-CD1 4.35Å; L306-F321 HydrophobicContact CD1-CG 4.17Å; L306-F321 HydrophobicContact CD2-CB 3.87Å; Q310-F321 HydrophobicContact CG-CD1 4.31Å; Q310-F321 HydrophobicContact CG-CE1 3.91Å; Q310-F321 HydrophobicContact CG-CZ 4.32Å; I315-F321 HydrophobicContact CD1-CE2 4.36Å; I315-F321 HydrophobicContact CD1-CZ 4.28Å; A319-F321 HydrophobicContact CB-CD2 4.43Å; A319-F321 HydrophobicContact CB-CE2 3.66Å; A319-F321 HydrophobicContact CB-CZ 4.14Å; F321-T328 CarbonylContact O-C 3.45Å; F321-T328 WeakPolarHBondContact O-CA 3.34Å; F321-T328 WeakPolarHBondContact O-CB 3.49Å; F321-I329 PolarHBondContact N-O 3.03Å; F321-I329 PolarHBondContact O-N 2.87Å; F321-I331 HydrophobicContact CB-CD1 4.29Å; F321-I331 HydrophobicContact CD2-CB 3.89Å; F321-I331 HydrophobicContact CD2-CD1 3.6Å; F321-I331 HydrophobicContact CD2-CG1 3.98Å; F321-I331 HydrophobicContact CE2-CB 3.92Å; F321-I331 HydrophobicContact CE2-CD1 4.13Å; F321-I331 HydrophobicContact CE2-CG1 4.46Å; F321-I331 HydrophobicContact CG-CD1 4.08Å
322	E	97.5	Very high	94.1	Very high	136 Å²	136	40.8 Å²	40.8	64%	0.636	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	130	173.2	-168.2	178.7	167.7	0	0	110	L306 T328	L306-E322 WeakPolarHBondContact CD2-O 3.33Å; E322-T328 HydrophobicContact CB-CG2 4.4Å
323	T	98.1	Very high	94	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.031	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-86.9	167.5	175.4	68.5	0	0	0	0	110.4	Y303 I305 L306 E325 G326 N327 I329	Y303-T323 HydrophobicContact CD2-CG2 3.85Å; Y303-T323 WeakPolarHBondContact CD2-OG1 3.47Å; Y303-T323 HydrophobicContact CE2-CG2 4.04Å; Y303-T323 VanDerWaalsContact O-CG2 3.3Å; Y303-T323 WeakPolarHBondContact O-CG2 3.25Å; I305-T323 CarbonylContact O-C 3.5Å; I305-T323 VanDerWaalsContact O-CA 3.31Å; I305-T323 WeakPolarHBondContact O-CA 3.29Å; L306-T323 HydrophobicContact CD2-CG2 4Å; T323-E325 PolarHBondContact O-N 2.96Å; T323-E325 VanDerWaalsContact O-N 3.13Å; T323-E325 PolarHBondContact OG1-N 2.76Å; T323-G326 PolarHBondContact O-N 3.26Å; T323-N327 WeakPolarHBondContact CB-O 3.43Å; T323-N327 WeakPolarHBondContact CG2-O 3.44Å; T323-N327 PolarHBondContact N-O 3.32Å; T323-N327 PolarHBondContact OG1-O 2.83Å; T323-I329 HydrophobicContact CG2-CB 4.43Å; T323-I329 HydrophobicContact CG2-CD1 4.06Å; T323-I329 HydrophobicContact CG2-CG1 3.88Å; T323-I329 HydrophobicContact CG2-CG2 3.86Å
324	L	96.5	Very high	93.9	Very high	69 Å²	69	43.1 Å²	43.1	36%	0.361	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-13.6	173.5	-69.7	-173.6	0	0	0	113.5	K302 I305 N307 G326	K302-L324 HydrophobicContact CB-CB 3.96Å; K302-L324 HydrophobicContact CG-CB 4.18Å; K302-L324 PolarHBondContact O-N 2.78Å; I305-L324 HydrophobicContact CB-CB 4.45Å; I305-L324 HydrophobicContact CB-CD1 3.82Å; I305-L324 HydrophobicContact CB-CG 4.08Å; I305-L324 HydrophobicContact CD1-CD1 4.33Å; I305-L324 HydrophobicContact CG2-CD1 3.44Å; I305-L324 VanDerWaalsContact CG2-CD1 3.44Å; I305-L324 HydrophobicContact CG2-CG 3.92Å; I305-L324 PolarHBondContact O-N 2.94Å; N307-L324 HydrophobicContact CB-CD2 3.83Å; L324-G326 VanDerWaalsContact C-N 3.32Å
325	E	96.9	Very high	93.7	Very high	39 Å²	39	43.6 Å²	43.6	18%	0.182	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-19.3	173.7	-175	-84.7	173.7	0	0	111.8	A299 K302 Y303 T323 N327 P367 S369	A299-E325 HydrophobicContact CB-CG 3.87Å; K302-E325 HydrophobicContact CB-CB 3.81Å; Y303-E325 HydrophobicContact CD2-CB 4.19Å; T323-E325 PolarHBondContact O-N 2.96Å; T323-E325 VanDerWaalsContact O-N 3.13Å; T323-E325 PolarHBondContact OG1-N 2.76Å; E325-N327 VanDerWaalsContact CD-ND2 3.32Å; E325-N327 PolarHBondContact OE1-ND2 3.04Å; E325-N327 VanDerWaalsContact OE1-ND2 3.08Å; E325-N327 WeakPolarHBondContact OE2-CB 3.25Å; E325-N327 VanDerWaalsContact OE2-CG 3.27Å; E325-N327 PolarHBondContact OE2-N 2.83Å; E325-N327 PolarHBondContact OE2-ND2 2.91Å; E325-P367 HydrophobicContact CG-CB 4.3Å; E325-P367 HydrophobicContact CG-CG 4.4Å; E325-S369 VanDerWaalsContact OE1-CB 3.29Å; E325-S369 WeakPolarHBondContact OE1-CB 3.42Å; E325-S369 PolarHBondContact OE1-OG 3.32Å
326	G	95.2	Very high	93.4	Very high	38 Å²	38	46.7 Å²	46.7	39%	0.392	29%	0.285	S	S	.	.	S	Bend	trans	103	-27	178.9	0	0	0	0	0	113.6	T323 L324	T323-G326 PolarHBondContact O-N 3.26Å; L324-G326 VanDerWaalsContact C-N 3.32Å
327	N	94.9	Very high	93.5	Very high	74 Å²	74	48.7 Å²	48.7	40%	0.396	30%	0.299	S	S	.	.			trans	-73.4	157.4	170.7	-71	-59.2	0	0	0	111.5	Y303 T323 E325	Y303-N327 HydrophobicContact CD2-CB 4.25Å; Y303-N327 HydrophobicContact CE2-CB 3.65Å; T323-N327 WeakPolarHBondContact CB-O 3.43Å; T323-N327 WeakPolarHBondContact CG2-O 3.44Å; T323-N327 PolarHBondContact N-O 3.32Å; T323-N327 PolarHBondContact OG1-O 2.83Å; E325-N327 VanDerWaalsContact CD-ND2 3.32Å; E325-N327 PolarHBondContact OE1-ND2 3.04Å; E325-N327 VanDerWaalsContact OE1-ND2 3.08Å; E325-N327 WeakPolarHBondContact OE2-CB 3.25Å; E325-N327 VanDerWaalsContact OE2-CG 3.27Å; E325-N327 PolarHBondContact OE2-N 2.83Å; E325-N327 PolarHBondContact OE2-ND2 2.91Å
328	T	96.2	Very high	93.9	Very high	79 Å²	79	47.8 Å²	47.8	49%	0.485	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	149.9	179.3	60.6	0	0	0	0	112.2	Y303 F321 E322	Y303-T328 PolarHBondContact OH-O 3Å; F321-T328 CarbonylContact O-C 3.45Å; F321-T328 WeakPolarHBondContact O-CA 3.34Å; F321-T328 WeakPolarHBondContact O-CB 3.49Å; E322-T328 HydrophobicContact CB-CG2 4.4Å
329	I	96.9	Very high	94.1	Very high	1 Å²	1	46 Å²	46	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.8	166.1	57.2	174.4	0	0	0	109.4	F272 Y303 L306 V320 F321 T323 I331 V340	F272-I329 HydrophobicContact CD2-CD1 4.09Å; F272-I329 HydrophobicContact CE2-CD1 3.92Å; Y303-I329 HydrophobicContact CE1-CG2 4Å; Y303-I329 HydrophobicContact CE2-CG2 3.82Å; Y303-I329 VanDerWaalsContact CZ-CG2 3.48Å; Y303-I329 WeakPolarHBondContact OH-CG2 3.44Å; L306-I329 HydrophobicContact CD2-CD1 4.03Å; L306-I329 HydrophobicContact CD2-CG1 4.23Å; V320-I329 WeakPolarHBondContact CA-O 3.48Å; F321-I329 PolarHBondContact N-O 3.03Å; F321-I329 PolarHBondContact O-N 2.87Å; T323-I329 HydrophobicContact CG2-CB 4.43Å; T323-I329 HydrophobicContact CG2-CD1 4.06Å; T323-I329 HydrophobicContact CG2-CG1 3.88Å; T323-I329 HydrophobicContact CG2-CG2 3.86Å; I329-I331 HydrophobicContact CD1-CD1 3.99Å; I329-I331 HydrophobicContact CD1-CG1 4.13Å; I329-I331 HydrophobicContact CG1-CD1 4.28Å; I329-I331 HydrophobicContact CG1-CG1 4.22Å; I329-V340 HydrophobicContact CD1-CG1 4.4Å
330	E	96.5	Very high	94.4	Very high	97 Å²	97	44.1 Å²	44.1	45%	0.453	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	116.8	171.6	-174.4	178.6	-177.3	0	0	109.4	A319 V340 N341	A319-E330 CarbonylContact O-C 3.59Å; A319-E330 WeakPolarHBondContact O-CA 3.3Å; E330-V340 CarbonylContact O-C 3.37Å; E330-V340 WeakPolarHBondContact O-CA 3.41Å; E330-N341 PolarHBondContact N-OD1 3.11Å; E330-N341 PolarHBondContact O-N 2.96Å
331	I	96.4	Very high	94.3	Very high	2 Å²	2	42.3 Å²	42.3	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.3	173.6	-59.9	166.7	0	0	0	108	F272 L306 I315 G318 A319 F321 I329 I338 T339	F272-I331 HydrophobicContact CE2-CD1 3.62Å; F272-I331 HydrophobicContact CE2-CG1 4.41Å; F272-I331 HydrophobicContact CZ-CD1 3.47Å; F272-I331 VanDerWaalsContact CZ-CD1 3.47Å; F272-I331 HydrophobicContact CZ-CG1 4.03Å; L306-I331 HydrophobicContact CD1-CD1 3.64Å; I315-I331 HydrophobicContact CD1-CG2 3.99Å; I315-I331 HydrophobicContact CG1-CG2 4.04Å; I315-I331 HydrophobicContact CG2-CG2 4.25Å; G318-I331 WeakPolarHBondContact CA-O 3.44Å; A319-I331 PolarHBondContact N-O 2.86Å; A319-I331 PolarHBondContact O-N 3.04Å; F321-I331 HydrophobicContact CB-CD1 4.29Å; F321-I331 HydrophobicContact CD2-CB 3.89Å; F321-I331 HydrophobicContact CD2-CD1 3.6Å; F321-I331 HydrophobicContact CD2-CG1 3.98Å; F321-I331 HydrophobicContact CE2-CB 3.92Å; F321-I331 HydrophobicContact CE2-CD1 4.13Å; F321-I331 HydrophobicContact CE2-CG1 4.46Å; F321-I331 HydrophobicContact CG-CD1 4.08Å; I329-I331 HydrophobicContact CD1-CD1 3.99Å; I329-I331 HydrophobicContact CD1-CG1 4.13Å; I329-I331 HydrophobicContact CG1-CD1 4.28Å; I329-I331 HydrophobicContact CG1-CG1 4.22Å; I331-I338 HydrophobicContact CG2-CG2 4.11Å; I331-T339 WeakPolarHBondContact CA-O 3.08Å
332	G	94.8	Very high	94.2	Very high	3 Å²	3	43.4 Å²	43.4	3%	0.031	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	-165.9	179.9	0	0	0	0	0	111.3	T339	G332-T339 WeakPolarHBondContact CA-OG1 3.48Å; G332-T339 PolarHBondContact N-O 3.08Å; G332-T339 PolarHBondContact O-N 3.13Å; G332-T339 PolarHBondContact O-OG1 3.38Å
333	C	92.2	Very high	94.1	Very high	14 Å²	14	40.3 Å²	40.3	10%	0.095	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	145.6	177.4	49.8	0	0	0	0	109.6	C69 I315 M316 S337 I338 T339	C69-C333 CarbonylContact C-O 3.56Å; C69-C333 VanDerWaalsContact C-O 3.24Å; C69-C333 WeakPolarHBondContact CA-O 3.25Å; C69-C333 WeakPolarHBondContact CA-SG 3.42Å; C69-C333 HydrophobicContact CB-CB 3.58Å; C69-C333 WeakPolarHBondContact CB-SG 3.26Å; C69-C333 WeakPolarHBondContact SG-CB 3.45Å; C69-C333 CovalentContact SG-SG 2.02Å; C69-C333 PolarHBondContact SG-SG 2.93Å; I315-C333 HydrophobicContact CG2-CB 4.25Å; I315-C333 PolarHBondContact O-SG 2.63Å; M316-C333 VanDerWaalsContact C-SG 3.54Å; C333-S337 CarbonylContact C-O 3.51Å; C333-S337 VanDerWaalsContact CA-O 3.26Å; C333-S337 WeakPolarHBondContact CA-O 3.27Å; C333-I338 HydrophobicContact CB-CD1 4.27Å; C333-T339 PolarHBondContact N-OG1 3.29Å
334	D	89.8	Confident	93.9	Very high	54 Å²	54	45.6 Å²	45.6	29%	0.289	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	104.9	168	175.4	14.9	0	0	0	109	C69 Q71 D336 S337 T339 K344	C69-D334 VanDerWaalsContact O-CA 3.29Å; C69-D334 WeakPolarHBondContact O-CA 3.33Å; Q71-D334 PolarHBondContact NE2-OD1 3.32Å; D334-D336 PolarHBondContact O-N 2.87Å; D334-S337 PolarHBondContact N-O 3.31Å; D334-S337 PolarHBondContact O-N 3.01Å; D334-T339 HydrophobicContact CB-CG2 4.25Å; D334-K344 VanDerWaalsContact CB-CE 3.45Å; D334-K344 VanDerWaalsContact CG-CE 3.41Å; D334-K344 WeakPolarHBondContact OD2-CE 3.36Å; D334-K344 IonicContact OD2-NZ 2.76Å; D334-K344 PolarHBondContact OD2-NZ 3.49Å
335	G	86.8	Confident	93.9	Very high	16 Å²	16	42.6 Å²	42.6	17%	0.165	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	-127.5	-165.3	0	0	0	0	0	111.1	C69	C69-G335 WeakPolarHBondContact CB-O 2.99Å; C69-G335 PolarHBondContact O-N 2.72Å
336	D	84.5	Confident	93.9	Very high	79 Å²	79	41.7 Å²	41.7	42%	0.422	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-6.3	178.6	-73.4	-39.8	0	0	0	114.1	K54 D334 K349	K54-D336 WeakPolarHBondContact CD-OD1 3.3Å; K54-D336 WeakPolarHBondContact CE-OD1 3.26Å; K54-D336 IonicContact NZ-OD1 3.33Å; K54-D336 PolarHBondContact NZ-OD1 3.38Å; D334-D336 PolarHBondContact O-N 2.87Å; D336-K349 PolarHBondContact O-NZ 2.71Å
337	S	89.6	Confident	93.8	Very high	51 Å²	51	43.8 Å²	43.8	36%	0.357	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	129.6	179.5	-57	0	0	0	0	110.9	C333 D334	C333-S337 CarbonylContact C-O 3.51Å; C333-S337 VanDerWaalsContact CA-O 3.26Å; C333-S337 WeakPolarHBondContact CA-O 3.27Å; D334-S337 PolarHBondContact N-O 3.31Å; D334-S337 PolarHBondContact O-N 3.01Å
338	I	94.8	Very high	93.9	Very high	10 Å²	10	45.1 Å²	45.1	5%	0.051	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	139.5	169	-60.8	-59.6	0	0	0	109	I315 I331 C333 V346	I315-I338 HydrophobicContact CB-CD1 4.06Å; I315-I338 HydrophobicContact CG1-CD1 4.32Å; I315-I338 HydrophobicContact CG2-CD1 4.43Å; I331-I338 HydrophobicContact CG2-CG2 4.11Å; C333-I338 HydrophobicContact CB-CD1 4.27Å; I338-V346 HydrophobicContact CB-CB 4.04Å; I338-V346 HydrophobicContact CB-CG1 4.4Å; I338-V346 HydrophobicContact CB-CG2 3.87Å; I338-V346 HydrophobicContact CG2-CG2 3.81Å
339	T	95.5	Very high	93.8	Very high	16 Å²	16	44.5 Å²	44.5	10%	0.098	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.2	176.2	61.9	0	0	0	0	110.2	I331 G332 C333 D334 I343 K344	I331-T339 WeakPolarHBondContact CA-O 3.08Å; G332-T339 WeakPolarHBondContact CA-OG1 3.48Å; G332-T339 PolarHBondContact N-O 3.08Å; G332-T339 PolarHBondContact O-N 3.13Å; G332-T339 PolarHBondContact O-OG1 3.38Å; C333-T339 PolarHBondContact N-OG1 3.29Å; D334-T339 HydrophobicContact CB-CG2 4.25Å; T339-I343 CarbonylContact C-O 3.48Å; T339-I343 WeakPolarHBondContact CA-O 3.43Å; T339-K344 HydrophobicContact CG2-CG 3.79Å
340	V	96.8	Very high	93.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	124.5	170.5	-176.6	0	0	0	0	107.6	F272 I329 E330 G342 I343 M345 V346 L365	F272-V340 HydrophobicContact CD1-CG2 3.96Å; F272-V340 HydrophobicContact CE1-CG2 3.79Å; F272-V340 HydrophobicContact CZ-CG2 4.42Å; I329-V340 HydrophobicContact CD1-CG1 4.4Å; E330-V340 CarbonylContact O-C 3.37Å; E330-V340 WeakPolarHBondContact O-CA 3.41Å; V340-G342 PolarHBondContact O-N 3.17Å; V340-I343 PolarHBondContact N-O 3.05Å; V340-I343 WeakPolarHBondContact O-CB 3.37Å; V340-I343 PolarHBondContact O-N 3.32Å; V340-M345 HydrophobicContact CB-CE 4.23Å; V340-M345 HydrophobicContact CB-CG 4.18Å; V340-M345 HydrophobicContact CB-SD 3.97Å; V340-M345 HydrophobicContact CG2-CG 4.35Å; V340-V346 HydrophobicContact CG2-CG2 4.17Å; V340-L365 HydrophobicContact CG1-CD1 4.07Å; V340-L365 HydrophobicContact CG1-CD2 3.87Å
341	N	94.6	Very high	93.8	Very high	70 Å²	70	41.3 Å²	41.3	37%	0.374	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	37.7	-172	-62.7	-29.5	0	0	0	113.1	E330 I343	E330-N341 PolarHBondContact N-OD1 3.11Å; E330-N341 PolarHBondContact O-N 2.96Å; N341-I343 VanDerWaalsContact C-N 3.29Å; N341-I343 PolarHBondContact O-N 2.87Å
342	G	93.3	Very high	93.8	Very high	58 Å²	58	42.2 Å²	42.2	60%	0.598	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	2.9	-178.5	0	0	0	0	0	115.5	V340	V340-G342 PolarHBondContact O-N 3.17Å
343	I	95.1	Very high	93.8	Very high	71 Å²	71	42 Å²	42	36%	0.364	24%	0.235	S	C	.	.	B	Isolated β-bridge	trans	-103.2	130.1	-178.8	-55.1	170.4	0	0	0	109.8	T339 V340 N341 M345	T339-I343 CarbonylContact C-O 3.48Å; T339-I343 WeakPolarHBondContact CA-O 3.43Å; V340-I343 PolarHBondContact N-O 3.05Å; V340-I343 WeakPolarHBondContact O-CB 3.37Å; V340-I343 PolarHBondContact O-N 3.32Å; N341-I343 VanDerWaalsContact C-N 3.29Å; N341-I343 PolarHBondContact O-N 2.87Å; I343-M345 VanDerWaalsContact C-N 3.29Å; I343-M345 HydrophobicContact CB-CE 3.63Å; I343-M345 HydrophobicContact CD1-CE 3.93Å; I343-M345 HydrophobicContact CG1-CE 4.33Å; I343-M345 HydrophobicContact CG2-CB 4.21Å; I343-M345 HydrophobicContact CG2-CE 3.83Å; I343-M345 PolarHBondContact O-N 3.11Å
344	K	95.5	Very high	93.8	Very high	116 Å²	116	44.6 Å²	44.6	50%	0.504	25%	0.247	S	C	.	.			trans	-75.6	77	173	-67.6	179.2	177.8	177.2	0	110.7	D334 T339	D334-K344 VanDerWaalsContact CB-CE 3.45Å; D334-K344 VanDerWaalsContact CG-CE 3.41Å; D334-K344 WeakPolarHBondContact OD2-CE 3.36Å; D334-K344 IonicContact OD2-NZ 2.76Å; D334-K344 PolarHBondContact OD2-NZ 3.49Å; T339-K344 HydrophobicContact CG2-CG 3.79Å
345	M	95.5	Very high	94.1	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.03	23%	0.234	C	C	.	.			trans	-108.4	-9.4	-177.3	65.4	176.5	73.7	0	0	114.3	V340 I343 N347 I361 D362 Q363 L365	V340-M345 HydrophobicContact CB-CE 4.23Å; V340-M345 HydrophobicContact CB-CG 4.18Å; V340-M345 HydrophobicContact CB-SD 3.97Å; V340-M345 HydrophobicContact CG2-CG 4.35Å; I343-M345 VanDerWaalsContact C-N 3.29Å; I343-M345 HydrophobicContact CB-CE 3.63Å; I343-M345 HydrophobicContact CD1-CE 3.93Å; I343-M345 HydrophobicContact CG1-CE 4.33Å; I343-M345 HydrophobicContact CG2-CB 4.21Å; I343-M345 HydrophobicContact CG2-CE 3.83Å; I343-M345 PolarHBondContact O-N 3.11Å; M345-N347 PolarHBondContact O-N 3.32Å; M345-I361 HydrophobicContact CG-CB 4.14Å; M345-I361 HydrophobicContact CG-CG2 4.13Å; M345-I361 CarbonylContact O-C 3.6Å; M345-I361 VanDerWaalsContact O-CA 3.25Å; M345-I361 WeakPolarHBondContact O-CA 3.21Å; M345-I361 HydrophobicContact SD-CB 4.2Å; M345-I361 HydrophobicContact SD-CD1 4.3Å; M345-I361 HydrophobicContact SD-CG2 4.39Å; M345-D362 PolarHBondContact O-N 3.02Å; M345-Q363 HydrophobicContact CE-CB 4.22Å; M345-Q363 HydrophobicContact SD-CB 4.14Å; M345-L365 HydrophobicContact CE-CD2 4.06Å; M345-L365 HydrophobicContact SD-CD2 3.76Å
346	V	97	Very high	94.5	Very high	21 Å²	21	41.4 Å²	41.4	13%	0.127	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	115.5	-179.5	179.7	0	0	0	0	109.7	F272 I338 V340 K349 H359 L360 I361	F272-V346 HydrophobicContact CD1-CG2 4.47Å; F272-V346 HydrophobicContact CE1-CG2 4.4Å; I338-V346 HydrophobicContact CB-CB 4.04Å; I338-V346 HydrophobicContact CB-CG1 4.4Å; I338-V346 HydrophobicContact CB-CG2 3.87Å; I338-V346 HydrophobicContact CG2-CG2 3.81Å; V340-V346 HydrophobicContact CG2-CG2 4.17Å; V346-K349 HydrophobicContact CG1-CB 4.08Å; V346-H359 HydrophobicContact CG1-CB 4.03Å; V346-L360 CarbonylContact C-O 3.59Å; V346-L360 VanDerWaalsContact CA-O 3.31Å; V346-L360 WeakPolarHBondContact CA-O 3.48Å; V346-I361 HydrophobicContact CG2-CG2 3.94Å
347	N	94.1	Very high	95.1	Very high	81 Å²	81	37.7 Å²	37.7	43%	0.433	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-34.2	-176.9	69.2	21.4	0	0	0	112.7	M345 L360 D362	M345-N347 PolarHBondContact O-N 3.32Å; N347-L360 PolarHBondContact N-O 3.14Å; N347-L360 WeakPolarHBondContact OD1-CB 3.49Å; N347-L360 PolarHBondContact OD1-O 3.26Å; N347-D362 PolarHBondContact ND2-OD1 3.27Å
348	K	95.2	Very high	95.6	Very high	102 Å²	102	35.2 Å²	35.2	44%	0.443	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	129.3	179.2	-173	177.1	176.1	-175.1	0	108	I351 H359 L360	K348-I351 HydrophobicContact CD-CD1 3.9Å; K348-I351 HydrophobicContact CD-CG1 4.42Å; K348-I351 HydrophobicContact CG-CD1 4.05Å; K348-I351 HydrophobicContact CG-CG1 4.3Å; K348-H359 CarbonylContact O-C 3.56Å; K348-H359 WeakPolarHBondContact O-CA 3.33Å; K348-L360 HydrophobicContact CB-CB 4.08Å; K348-L360 HydrophobicContact CB-CD1 4.07Å; K348-L360 HydrophobicContact CB-CG 4.1Å; K348-L360 HydrophobicContact CD-CD1 3.96Å; K348-L360 PolarHBondContact O-N 3.39Å
349	K	95.1	Very high	95.7	Very high	66 Å²	66	35 Å²	35	29%	0.287	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	158.5	-170.1	63.6	-170.7	-174.9	170.6	0	111.6	D336 V346 I351 H359	D336-K349 PolarHBondContact O-NZ 2.71Å; V346-K349 HydrophobicContact CG1-CB 4.08Å; K349-I351 PolarHBondContact O-N 2.78Å; K349-H359 WeakPolarHBondContact CA-ND1 3.43Å
350	D	95.9	Very high	95.9	Very high	10 Å²	10	34.6 Å²	34.6	5%	0.053	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.1	45.8	173.9	-56.3	-42.7	0	0	0	113.7	C208 R228 C311 S312 V352 H359	C208-D350 HydrophobicContact CB-CB 3.96Å; R228-D350 IonicContact NH1-OD2 3.9Å; C311-D350 WeakPolarHBondContact CA-OD1 3.43Å; S312-D350 WeakPolarHBondContact CB-OD1 3Å; S312-D350 WeakPolarHBondContact CB-OD2 3.37Å; S312-D350 PolarHBondContact N-OD1 3.46Å; S312-D350 PolarHBondContact OG-OD2 3.41Å; D350-V352 PolarHBondContact O-N 2.92Å; D350-H359 PolarHBondContact N-CE1 2.92Å; D350-H359 PolarHBondContact N-ND1 3.08Å; D350-H359 VanDerWaalsContact N-ND1 3.15Å; D350-H359 IonicContact OD1-CE1 3.94Å; D350-H359 PolarHBondContact OD1-CE1 3.05Å
351	I	96.6	Very high	95.9	Very high	22 Å²	22	34.6 Å²	34.6	11%	0.113	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	102.1	167.3	-58.8	165.1	0	0	0	106.8	F240 K348 K349 V357 I358 L360	F240-I351 HydrophobicContact CD2-CG2 3.86Å; F240-I351 HydrophobicContact CE1-CD1 4.11Å; F240-I351 HydrophobicContact CE1-CG2 4.39Å; F240-I351 HydrophobicContact CE2-CD1 4.46Å; F240-I351 HydrophobicContact CE2-CG2 3.65Å; F240-I351 HydrophobicContact CG-CG2 4.35Å; F240-I351 HydrophobicContact CZ-CD1 3.76Å; F240-I351 HydrophobicContact CZ-CG2 3.95Å; K348-I351 HydrophobicContact CD-CD1 3.9Å; K348-I351 HydrophobicContact CD-CG1 4.42Å; K348-I351 HydrophobicContact CG-CD1 4.05Å; K348-I351 HydrophobicContact CG-CG1 4.3Å; K349-I351 PolarHBondContact O-N 2.78Å; I351-V357 CarbonylContact O-C 3.57Å; I351-V357 WeakPolarHBondContact O-CA 3.39Å; I351-I358 HydrophobicContact CB-CB 4.05Å; I351-I358 WeakPolarHBondContact CB-O 3.35Å; I351-I358 HydrophobicContact CG2-CB 4.42Å; I351-I358 PolarHBondContact N-O 3.38Å; I351-I358 PolarHBondContact O-N 3.15Å; I351-L360 HydrophobicContact CD1-CD1 4.39Å; I351-L360 HydrophobicContact CD1-CD2 4.23Å; I351-L360 HydrophobicContact CD1-CG 3.92Å
352	V	96.1	Very high	96	Very high	20 Å²	20	33.3 Å²	33.3	12%	0.121	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	133.3	-172.4	-175.4	0	0	0	0	110.9	N207 C208 I233 G234 D350	N207-V352 HydrophobicContact CB-CG1 4.37Å; C208-V352 HydrophobicContact CB-CG2 3.92Å; I233-V352 HydrophobicContact CB-CG1 4.43Å; I233-V352 HydrophobicContact CG2-CB 4.24Å; I233-V352 HydrophobicContact CG2-CG1 3.78Å; G234-V352 PolarHBondContact N-O 3.23Å; D350-V352 PolarHBondContact O-N 2.92Å
353	T	95.5	Very high	96.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	169.3	174.2	69.9	0	0	0	0	110.6	G234 I237 F240 N355 G356 I358	G234-T353 CarbonylContact O-C 3.44Å; G234-T353 VanDerWaalsContact O-CA 3.24Å; G234-T353 WeakPolarHBondContact O-CA 3.35Å; I237-T353 HydrophobicContact CG1-CG2 4.35Å; I237-T353 WeakPolarHBondContact CG1-OG1 3.33Å; F240-T353 HydrophobicContact CB-CG2 4.5Å; T353-N355 PolarHBondContact O-N 3.18Å; T353-N355 VanDerWaalsContact O-N 3.15Å; T353-N355 PolarHBondContact OG1-OD1 2.79Å; T353-N355 VanDerWaalsContact OG1-OD1 3.06Å; T353-G356 PolarHBondContact N-O 3.3Å; T353-G356 PolarHBondContact O-N 3.11Å; T353-G356 VanDerWaalsContact O-O 3.13Å; T353-G356 PolarHBondContact OG1-N 2.83Å; T353-G356 PolarHBondContact OG1-O 3.34Å; T353-I358 HydrophobicContact CG2-CD1 4.15Å
354	N	93.3	Very high	96.3	Very high	67 Å²	67	31.9 Å²	31.9	36%	0.358	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.6	179.8	-166.4	59.7	0	0	0	114.1	F195 I233 G234 T235	F195-N354 WeakPolarHBondContact CE1-O 3.44Å; F195-N354 HydrophobicContact CZ-CB 4.45Å; F195-N354 VanDerWaalsContact CZ-O 3.31Å; F195-N354 WeakPolarHBondContact CZ-O 3.21Å; F195-N354 WeakPolarHBondContact CZ-OD1 3.46Å; I233-N354 HydrophobicContact CD1-CB 4.49Å; G234-N354 PolarHBondContact O-N 2.83Å; T235-N354 WeakPolarHBondContact O-CB 3.46Å
355	N	94.7	Very high	96.4	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.016	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.3	12.4	-177	68.7	-24.5	0	0	0	114.1	S236 I237 L263 R265 G267 H268 F269 T353	S236-N355 WeakPolarHBondContact CA-OD1 3.45Å; I237-N355 WeakPolarHBondContact CG1-OD1 3.09Å; I237-N355 PolarHBondContact N-OD1 2.84Å; L263-N355 PolarHBondContact O-ND2 2.77Å; R265-N355 WeakPolarHBondContact O-CB 3.5Å; R265-N355 PolarHBondContact O-ND2 3.13Å; G267-N355 CarbonylContact C-O 3.47Å; G267-N355 VanDerWaalsContact C-O 3.29Å; G267-N355 CarbonylContact O-C 3.39Å; G267-N355 VanDerWaalsContact O-C 3.27Å; G267-N355 WeakPolarHBondContact O-CA 3.49Å; H268-N355 WeakPolarHBondContact CA-O 3.4Å; F269-N355 WeakPolarHBondContact CD2-O 3.37Å; F269-N355 PolarHBondContact N-O 2.9Å; T353-N355 PolarHBondContact O-N 3.18Å; T353-N355 VanDerWaalsContact O-N 3.15Å; T353-N355 PolarHBondContact OG1-OD1 2.79Å; T353-N355 VanDerWaalsContact OG1-OD1 3.06Å
356	G	95.9	Very high	96.5	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	161.9	-158.2	175.6	0	0	0	0	0	116.1	F269 T353	F269-G356 CarbonylContact O-C 3.54Å; F269-G356 WeakPolarHBondContact O-CA 3.44Å; T353-G356 PolarHBondContact N-O 3.3Å; T353-G356 PolarHBondContact O-N 3.11Å; T353-G356 VanDerWaalsContact O-O 3.13Å; T353-G356 PolarHBondContact OG1-N 2.83Å; T353-G356 PolarHBondContact OG1-O 3.34Å
357	V	97.6	Very high	96.5	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	141	177.9	66.7	0	0	0	0	110.5	F269 T270 L271 L309 I351	F269-V357 PolarHBondContact O-N 2.96Å; T270-V357 CarbonylContact C-O 3.54Å; T270-V357 WeakPolarHBondContact CA-O 3.33Å; T270-V357 HydrophobicContact CG2-CG1 3.96Å; L271-V357 PolarHBondContact N-O 3.34Å; L309-V357 HydrophobicContact CD2-CB 4.25Å; L309-V357 HydrophobicContact CD2-CG1 3.92Å; L309-V357 HydrophobicContact CG-CB 4.23Å; L309-V357 HydrophobicContact CG-CG1 3.91Å; I351-V357 CarbonylContact O-C 3.57Å; I351-V357 WeakPolarHBondContact O-CA 3.39Å
358	I	98.6	Very high	96.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135.3	177.2	-49.3	170.7	0	0	0	109.3	I237 F240 L271 A273 I351 T353 L360	I237-I358 HydrophobicContact CB-CD1 4.31Å; I237-I358 HydrophobicContact CG1-CD1 4.2Å; I237-I358 HydrophobicContact CG1-CG1 3.97Å; I237-I358 HydrophobicContact CG2-CD1 3.98Å; I237-I358 HydrophobicContact CG2-CG1 4.16Å; F240-I358 HydrophobicContact CB-CD1 3.74Å; F240-I358 HydrophobicContact CD1-CD1 3.36Å; F240-I358 HydrophobicContact CE1-CD1 4.19Å; F240-I358 HydrophobicContact CG-CD1 3.66Å; L271-I358 HydrophobicContact CB-CG1 4.32Å; L271-I358 HydrophobicContact CB-CG2 4.48Å; L271-I358 HydrophobicContact CD2-CG1 4.42Å; L271-I358 HydrophobicContact CD2-CG2 4.27Å; L271-I358 HydrophobicContact CG-CG2 4.4Å; L271-I358 CarbonylContact O-C 3.59Å; L271-I358 WeakPolarHBondContact O-CA 3.22Å; A273-I358 HydrophobicContact CB-CG2 3.66Å; I351-I358 HydrophobicContact CB-CB 4.05Å; I351-I358 WeakPolarHBondContact CB-O 3.35Å; I351-I358 HydrophobicContact CG2-CB 4.42Å; I351-I358 PolarHBondContact N-O 3.38Å; I351-I358 PolarHBondContact O-N 3.15Å; T353-I358 HydrophobicContact CG2-CD1 4.15Å; I358-L360 HydrophobicContact CG2-CD2 4.08Å
359	H	98.3	Very high	96.7	Very high	5 Å²	5	21.8 Å²	21.8	2%	0.023	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.7	168.3	-55.7	-67.5	0	0	0	108	L271 F272 A273 Q310 V346 K348 K349 D350	L271-H359 PolarHBondContact O-N 3.23Å; F272-H359 CarbonylContact C-O 3.18Å; F272-H359 VanDerWaalsContact CA-O 3.27Å; F272-H359 WeakPolarHBondContact CA-O 3.44Å; F272-H359 HydrophobicContact CD1-CB 3.91Å; F272-H359 HydrophobicContact CE1-CB 4.08Å; F272-H359 AromaticContact CE1-CD2 3.86Å; A273-H359 PolarHBondContact N-O 3.27Å; Q310-H359 PolarHBondContact O-NE2 2.97Å; V346-H359 HydrophobicContact CG1-CB 4.03Å; K348-H359 CarbonylContact O-C 3.56Å; K348-H359 WeakPolarHBondContact O-CA 3.33Å; K349-H359 WeakPolarHBondContact CA-ND1 3.43Å; D350-H359 PolarHBondContact N-CE1 2.92Å; D350-H359 PolarHBondContact N-ND1 3.08Å; D350-H359 VanDerWaalsContact N-ND1 3.15Å; D350-H359 IonicContact OD1-CE1 3.94Å; D350-H359 PolarHBondContact OD1-CE1 3.05Å
360	L	98.6	Very high	96.8	Very high	7 Å²	7	18.7 Å²	18.7	4%	0.037	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	135.6	177.8	-61.4	-167.3	0	0	0	110.1	F240 L247 A273 T275 V346 N347 K348 I351 I358	F240-L360 HydrophobicContact CE1-CD2 4.45Å; L247-L360 HydrophobicContact CD1-CD2 4.13Å; L247-L360 HydrophobicContact CD2-CD2 4.06Å; L247-L360 HydrophobicContact CG-CD2 4.44Å; A273-L360 HydrophobicContact CB-CD2 3.83Å; A273-L360 WeakPolarHBondContact O-CA 3.45Å; T275-L360 HydrophobicContact CG2-CB 4.32Å; V346-L360 CarbonylContact C-O 3.59Å; V346-L360 VanDerWaalsContact CA-O 3.31Å; V346-L360 WeakPolarHBondContact CA-O 3.48Å; N347-L360 PolarHBondContact N-O 3.14Å; N347-L360 WeakPolarHBondContact OD1-CB 3.49Å; N347-L360 PolarHBondContact OD1-O 3.26Å; K348-L360 HydrophobicContact CB-CB 4.08Å; K348-L360 HydrophobicContact CB-CD1 4.07Å; K348-L360 HydrophobicContact CB-CG 4.1Å; K348-L360 HydrophobicContact CD-CD1 3.96Å; K348-L360 PolarHBondContact O-N 3.39Å; I351-L360 HydrophobicContact CD1-CD1 4.39Å; I351-L360 HydrophobicContact CD1-CD2 4.23Å; I351-L360 HydrophobicContact CD1-CG 3.92Å; I358-L360 HydrophobicContact CG2-CD2 4.08Å
361	I	98.2	Very high	96.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	144.2	-177.9	64.2	174.1	0	0	0	112.8	F272 A273 P274 T275 M345 V346 Q363 L365	F272-I361 HydrophobicContact CB-CD1 4Å; F272-I361 HydrophobicContact CB-CG2 4.07Å; F272-I361 HydrophobicContact CD1-CG2 3.94Å; A273-I361 PolarHBondContact O-N 3.33Å; P274-I361 WeakPolarHBondContact CA-O 3.22Å; P274-I361 HydrophobicContact CB-CD1 4.29Å; P274-I361 HydrophobicContact CB-CG1 3.99Å; T275-I361 PolarHBondContact N-O 3.06Å; T275-I361 VanDerWaalsContact N-O 3.11Å; T275-I361 PolarHBondContact OG1-O 3.28Å; M345-I361 HydrophobicContact CG-CB 4.14Å; M345-I361 HydrophobicContact CG-CG2 4.13Å; M345-I361 CarbonylContact O-C 3.6Å; M345-I361 VanDerWaalsContact O-CA 3.25Å; M345-I361 WeakPolarHBondContact O-CA 3.21Å; M345-I361 HydrophobicContact SD-CB 4.2Å; M345-I361 HydrophobicContact SD-CD1 4.3Å; M345-I361 HydrophobicContact SD-CG2 4.39Å; V346-I361 HydrophobicContact CG2-CG2 3.94Å; I361-Q363 WeakPolarHBondContact CD1-O 3.3Å; I361-Q363 WeakPolarHBondContact CG1-O 3.34Å; I361-L365 HydrophobicContact CD1-CD1 4.15Å; I361-L365 HydrophobicContact CD1-CD2 4.42Å; I361-L365 HydrophobicContact CD1-CG 3.82Å
362	D	96.3	Very high	96.6	Very high	43 Å²	43	20.1 Å²	20.1	23%	0.23	11%	0.106	C	C	.	.	S	Bend	trans	-89.1	3.9	-178.3	-69.6	-27.1	0	0	0	114.5	A278 K281 M345 N347	A278-D362 WeakPolarHBondContact CA-O 3.4Å; A278-D362 VanDerWaalsContact CB-C 3.41Å; K281-D362 WeakPolarHBondContact CD-O 3.31Å; K281-D362 PolarHBondContact NZ-O 2.83Å; K281-D362 VanDerWaalsContact NZ-O 3.13Å; M345-D362 PolarHBondContact O-N 3.02Å; N347-D362 PolarHBondContact ND2-OD1 3.27Å
363	Q	97.3	Very high	96.6	Very high	83 Å²	83	19.2 Å²	19.2	39%	0.388	10%	0.1	S	C	.	.	S	Bend	trans	-140.6	141.4	177.1	-63.7	-174.8	23.5	0	0	110.6	M345 I361	M345-Q363 HydrophobicContact CE-CB 4.22Å; M345-Q363 HydrophobicContact SD-CB 4.14Å; I361-Q363 WeakPolarHBondContact CD1-O 3.3Å; I361-Q363 WeakPolarHBondContact CG1-O 3.34Å
364	V	97.8	Very high	96.4	Very high	17 Å²	17	22.1 Å²	22.1	10%	0.103	12%	0.118	C	C	.	.			trans	-76.6	128.8	173.9	177.1	0	0	0	0	109.9	P274 A278 F279 L282 L300 I366	P274-V364 HydrophobicContact CB-CG2 3.89Å; P274-V364 HydrophobicContact CG-CG2 4.4Å; A278-V364 HydrophobicContact CB-CG2 4.08Å; F279-V364 HydrophobicContact CD1-CG2 3.93Å; F279-V364 HydrophobicContact CD2-CG2 4.09Å; F279-V364 HydrophobicContact CE1-CG2 4.07Å; F279-V364 HydrophobicContact CE2-CG2 4.23Å; F279-V364 HydrophobicContact CG-CG2 3.95Å; F279-V364 HydrophobicContact CZ-CG2 4.22Å; L282-V364 HydrophobicContact CD1-CB 4.41Å; L282-V364 HydrophobicContact CD1-CG2 4.16Å; L282-V364 HydrophobicContact CD2-CB 4.15Å; L282-V364 HydrophobicContact CG-CG2 4.38Å; L300-V364 HydrophobicContact CD1-CG1 3.76Å; L300-V364 HydrophobicContact CD2-CG1 4.43Å; L300-V364 HydrophobicContact CG-CG1 4.48Å; V364-I366 HydrophobicContact CG1-CG1 4.07Å; V364-I366 PolarHBondContact O-N 3.33Å
365	L	97.8	Very high	96.4	Very high	10 Å²	10	22.2 Å²	22.2	5%	0.052	12%	0.116	C	C	.	.			trans	-80.3	103.7	173	-53.7	177.7	0	0	0	109.3	F272 L300 Y303 H304 V340 M345 I361 P367	F272-L365 HydrophobicContact CB-CD1 4.34Å; L300-L365 VanDerWaalsContact CD1-O 3.28Å; L300-L365 WeakPolarHBondContact CD1-O 3.38Å; Y303-L365 HydrophobicContact CD1-CB 3.64Å; Y303-L365 WeakPolarHBondContact CD1-O 3.13Å; Y303-L365 HydrophobicContact CE1-CB 3.93Å; H304-L365 PolarHBondContact CE1-N 3.27Å; H304-L365 PolarHBondContact CE1-O 3.13Å; H304-L365 WeakPolarHBondContact NE2-CB 3.3Å; H304-L365 PolarHBondContact NE2-N 2.78Å; V340-L365 HydrophobicContact CG1-CD1 4.07Å; V340-L365 HydrophobicContact CG1-CD2 3.87Å; M345-L365 HydrophobicContact CE-CD2 4.06Å; M345-L365 HydrophobicContact SD-CD2 3.76Å; I361-L365 HydrophobicContact CD1-CD1 4.15Å; I361-L365 HydrophobicContact CD1-CD2 4.42Å; I361-L365 HydrophobicContact CD1-CG 3.82Å; L365-P367 WeakPolarHBondContact O-CD 3.47Å
366	I	97.1	Very high	96.5	Very high	33 Å²	33	22.1 Å²	22.1	17%	0.169	12%	0.116	C	C	.	.			trans	-95.2	113.7	177.1	-52.4	-179.6	0	0	0	109.6	L282 V286 I290 L300 V364 A370 K371	L282-I366 HydrophobicContact CD2-CD1 3.77Å; V286-I366 HydrophobicContact CG1-CD1 4.22Å; I290-I366 HydrophobicContact CD1-CD1 4.37Å; I290-I366 HydrophobicContact CD1-CG2 4.15Å; L300-I366 HydrophobicContact CD1-CB 4.35Å; L300-I366 HydrophobicContact CD1-CG1 4.07Å; L300-I366 HydrophobicContact CD1-CG2 4.46Å; V364-I366 HydrophobicContact CG1-CG1 4.07Å; V364-I366 PolarHBondContact O-N 3.33Å; I366-A370 HydrophobicContact CG2-CB 4.15Å; I366-K371 HydrophobicContact CG2-CG 3.74Å; I366-K371 WeakPolarHBondContact O-CE 3.49Å; I366-K371 PolarHBondContact O-NZ 2.86Å; I366-K371 VanDerWaalsContact O-NZ 3.16Å
367	P	97.1	Very high	96.4	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.006	13%	0.126	C	C	.	.			trans	-68	155.9	174.8	29.4	-33.9	0	0	0	110.5	A299 Y303 E325 L365 S369 A370	A299-P367 HydrophobicContact CB-CG 4.21Å; Y303-P367 HydrophobicContact CD1-CB 3.88Å; Y303-P367 HydrophobicContact CD1-CG 4.28Å; Y303-P367 HydrophobicContact CD2-CB 3.83Å; Y303-P367 HydrophobicContact CE1-CB 4.27Å; Y303-P367 HydrophobicContact CE2-CB 4.28Å; Y303-P367 HydrophobicContact CG-CB 3.64Å; Y303-P367 HydrophobicContact CG-CG 4.04Å; E325-P367 HydrophobicContact CG-CB 4.3Å; E325-P367 HydrophobicContact CG-CG 4.4Å; L365-P367 WeakPolarHBondContact O-CD 3.47Å; P367-S369 PolarHBondContact O-N 3.14Å; P367-A370 HydrophobicContact CG-CB 3.93Å; P367-A370 PolarHBondContact O-N 2.93Å; P367-A370 VanDerWaalsContact O-N 3.12Å
368	D	96.6	Very high	96.1	Very high	38 Å²	38	24.5 Å²	24.5	20%	0.203	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-59.9	-34.6	178	-75.1	-9.5	0	0	0	111.4	A370 K371 L376 K478 Q479 G480	D368-A370 PolarHBondContact O-N 3.33Å; D368-A370 VanDerWaalsContact O-N 3.14Å; D368-K371 WeakPolarHBondContact O-CB 3.43Å; D368-K371 PolarHBondContact O-N 3.49Å; D368-K371 IonicContact OD1-NZ 3.95Å; D368-K371 PolarHBondContact OD1-NZ 3.47Å; D368-L376 HydrophobicContact CB-CD2 3.74Å; D368-K478 WeakPolarHBondContact OD2-CD 3.5Å; D368-Q479 CarbonylContact C-O 3.58Å; D368-G480 WeakPolarHBondContact O-CA 3.47Å
369	S	96.4	Very high	95.8	Very high	32 Å²	32	33.3 Å²	33.3	22%	0.224	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-60.6	-19.8	176.2	58.9	0	0	0	0	115.5	A299 E325 P367 R481	A299-S369 WeakPolarHBondContact CB-OG 3.28Å; E325-S369 VanDerWaalsContact OE1-CB 3.29Å; E325-S369 WeakPolarHBondContact OE1-CB 3.42Å; E325-S369 PolarHBondContact OE1-OG 3.32Å; P367-S369 PolarHBondContact O-N 3.14Å; S369-R481 VanDerWaalsContact O-CA 3.31Å; S369-R481 WeakPolarHBondContact O-CA 3.4Å; S369-R481 VanDerWaalsContact O-CB 3.29Å; S369-R481 WeakPolarHBondContact O-CB 3.42Å; S369-R481 WeakPolarHBondContact O-CD 3.44Å; S369-R481 PolarHBondContact O-N 2.9Å
370	A	96.5	Very high	95.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-98.9	-8.7	175	0	0	0	0	0	113.3	R289 I290 A296 I366 P367 D368	R289-A370 PolarHBondContact NH1-O 3.33Å; I290-A370 HydrophobicContact CD1-CB 4.49Å; A296-A370 HydrophobicContact CB-CB 4.13Å; I366-A370 HydrophobicContact CG2-CB 4.15Å; P367-A370 HydrophobicContact CG-CB 3.93Å; P367-A370 PolarHBondContact O-N 2.93Å; P367-A370 VanDerWaalsContact O-N 3.12Å; D368-A370 PolarHBondContact O-N 3.33Å; D368-A370 VanDerWaalsContact O-N 3.14Å
371	K	96.1	Very high	95.6	Very high	47 Å²	47	38.5 Å²	38.5	20%	0.204	20%	0.2	C	C	.	.	S	Bend	trans	-83.8	146.7	179.7	-71.7	177.4	-162.4	154.4	0	111.9	I366 D368 E375 L376 R481	I366-K371 HydrophobicContact CG2-CG 3.74Å; I366-K371 WeakPolarHBondContact O-CE 3.49Å; I366-K371 PolarHBondContact O-NZ 2.86Å; I366-K371 VanDerWaalsContact O-NZ 3.16Å; D368-K371 WeakPolarHBondContact O-CB 3.43Å; D368-K371 PolarHBondContact O-N 3.49Å; D368-K371 IonicContact OD1-NZ 3.95Å; D368-K371 PolarHBondContact OD1-NZ 3.47Å; K371-E375 WeakPolarHBondContact CA-OE2 3.08Å; K371-E375 HydrophobicContact CB-CB 3.93Å; K371-E375 WeakPolarHBondContact CB-OE2 3.35Å; K371-E375 HydrophobicContact CD-CB 4.35Å; K371-E375 HydrophobicContact CG-CB 4.21Å; K371-L376 HydrophobicContact CB-CD2 3.85Å; K371-L376 HydrophobicContact CD-CD2 4.4Å; K371-R481 WeakPolarHBondContact O-CB 3.25Å; K371-R481 PolarHBondContact O-N 2.72Å
372	Q	94	Very high	95.5	Very high	16 Å²	16	41.2 Å²	41.2	8%	0.075	22%	0.217	C	C	.	.			trans	-69.9	156.4	166.4	-65.7	-68.2	-55.1	0	0	110	R289 T374 E375 L376 N482	R289-Q372 VanDerWaalsContact CZ-CG 3.47Å; Q372-T374 PolarHBondContact O-N 3.28Å; Q372-T374 VanDerWaalsContact O-N 3.08Å; Q372-E375 HydrophobicContact CB-CG 4.18Å; Q372-E375 PolarHBondContact N-OE2 3.09Å; Q372-E375 WeakPolarHBondContact O-CA 3.13Å; Q372-E375 WeakPolarHBondContact O-CB 3.31Å; Q372-E375 PolarHBondContact O-N 3.34Å; Q372-L376 PolarHBondContact O-N 3.31Å; Q372-N482 WeakPolarHBondContact CA-OD1 3.4Å; Q372-N482 PolarHBondContact OE1-ND2 3.04Å; Q372-N482 PolarHBondContact OE1-OD1 2.89Å
373	V	95.6	Very high	95.5	Very high	1 Å²	1	41 Å²	41	1%	0.006	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-54.3	-34.2	-179.3	73.6	0	0	0	0	113.3	E375 L376 L397 Y403 L405 N482 A484	V373-E375 VanDerWaalsContact C-N 3.3Å; V373-E375 PolarHBondContact O-N 3.41Å; V373-L376 HydrophobicContact CG2-CD1 4.38Å; V373-L376 PolarHBondContact O-N 3.29Å; V373-L397 HydrophobicContact CG1-CD1 4.35Å; V373-Y403 HydrophobicContact CG1-CD2 4.46Å; V373-L405 HydrophobicContact CB-CD1 4.5Å; V373-L405 HydrophobicContact CG1-CD1 4.26Å; V373-L405 HydrophobicContact CG1-CG 4.42Å; V373-L405 HydrophobicContact CG2-CB 4.48Å; V373-L405 HydrophobicContact CG2-CD1 3.84Å; V373-L405 HydrophobicContact CG2-CG 3.68Å; V373-N482 PolarHBondContact N-OD1 3.03Å; V373-A484 WeakPolarHBondContact CG2-O 3.21Å
374	T	91.6	Very high	95.5	Very high	61 Å²	61	37.1 Å²	37.1	37%	0.374	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-69.8	-25.3	176.9	49.9	0	0	0	0	113.6	Q372 L397	Q372-T374 PolarHBondContact O-N 3.28Å; Q372-T374 VanDerWaalsContact O-N 3.08Å; T374-L397 HydrophobicContact CG2-CB 4.32Å; T374-L397 HydrophobicContact CG2-CD1 3.35Å; T374-L397 HydrophobicContact CG2-CG 4.46Å
375	E	93.3	Very high	95.4	Very high	69 Å²	69	37.9 Å²	37.9	32%	0.322	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-87.3	-9.9	-179.1	-61.5	165.7	178.5	0	0	112	R289 K371 Q372 V373 A377	R289-E375 IonicContact CZ-OE1 3.9Å; R289-E375 IonicContact CZ-OE2 3.61Å; R289-E375 IonicContact NE-OE1 2.63Å; R289-E375 VanDerWaalsContact NH2-CD 3.27Å; R289-E375 IonicContact NH2-OE1 3.93Å; R289-E375 PolarHBondContact NH2-OE1 3.4Å; R289-E375 IonicContact NH2-OE2 2.7Å; R289-E375 PolarHBondContact NH2-OE2 3.08Å; K371-E375 WeakPolarHBondContact CA-OE2 3.08Å; K371-E375 HydrophobicContact CB-CB 3.93Å; K371-E375 WeakPolarHBondContact CB-OE2 3.35Å; K371-E375 HydrophobicContact CD-CB 4.35Å; K371-E375 HydrophobicContact CG-CB 4.21Å; Q372-E375 HydrophobicContact CB-CG 4.18Å; Q372-E375 PolarHBondContact N-OE2 3.09Å; Q372-E375 WeakPolarHBondContact O-CA 3.13Å; Q372-E375 WeakPolarHBondContact O-CB 3.31Å; Q372-E375 PolarHBondContact O-N 3.34Å; V373-E375 VanDerWaalsContact C-N 3.3Å; V373-E375 PolarHBondContact O-N 3.41Å; E375-A377 VanDerWaalsContact C-N 3.33Å
376	L	95.7	Very high	95.3	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	23%	0.228	C	C	.	.	S	Bend	trans	-75.8	-22.2	-179.8	-62.7	176.1	0	0	0	113.4	D368 K371 Q372 V373 K478 I485	D368-L376 HydrophobicContact CB-CD2 3.74Å; K371-L376 HydrophobicContact CB-CD2 3.85Å; K371-L376 HydrophobicContact CD-CD2 4.4Å; Q372-L376 PolarHBondContact O-N 3.31Å; V373-L376 HydrophobicContact CG2-CD1 4.38Å; V373-L376 PolarHBondContact O-N 3.29Å; L376-K478 HydrophobicContact CB-CB 4.48Å; L376-K478 HydrophobicContact CB-CD 4.47Å; L376-K478 HydrophobicContact CD2-CB 4.48Å; L376-K478 VanDerWaalsContact O-CD 3.28Å; L376-K478 WeakPolarHBondContact O-CD 3.32Å; L376-K478 PolarHBondContact O-NZ 3.45Å; L376-I485 HydrophobicContact CB-CB 4.35Å; L376-I485 HydrophobicContact CB-CG2 3.52Å; L376-I485 HydrophobicContact CD1-CG2 4.06Å; L376-I485 HydrophobicContact CG-CG2 4.45Å
377	A	94.2	Very high	95.2	Very high	26 Å²	26	41.6 Å²	41.6	22%	0.215	22%	0.224	C	C	.	.			trans	-60.4	139.8	-177.8	0	0	0	0	0	112.2	E375 Q381 T385 I485	E375-A377 VanDerWaalsContact C-N 3.33Å; A377-Q381 HydrophobicContact CB-CB 4.12Å; A377-T385 HydrophobicContact CB-CG2 3.34Å; A377-I485 HydrophobicContact CB-CD1 3.92Å
378	G	91.2	Very high	95.1	Very high	25 Å²	25	41.8 Å²	41.8	26%	0.258	23%	0.225	S	C	.	.			trans	-99.8	-173	178.1	0	0	0	0	0	113	Q380 Q381	G378-Q380 PolarHBondContact O-N 2.85Å; G378-Q380 VanDerWaalsContact O-N 3.12Å; G378-Q381 PolarHBondContact O-N 2.99Å; G378-Q381 VanDerWaalsContact O-N 3.08Å; G378-Q381 PolarHBondContact O-OE1 3.07Å
379	K	93.2	Very high	95	Very high	185 Å²	185	42.7 Å²	42.7	80%	0.804	24%	0.238	S	C	*	.	G	3₁₀ helix	trans	-58.2	-26.7	179.2	-66.2	-176.6	178.9	-179.9	0	114	Q381 T382 N410	K379-Q381 VanDerWaalsContact C-N 3.34Å; K379-T382 PolarHBondContact O-OG1 3.42Å; K379-T382 VanDerWaalsContact O-OG1 3.05Å; K379-N410 PolarHBondContact O-ND2 3.13Å
380	Q	95.3	Very high	94.9	Very high	110 Å²	110	47.7 Å²	47.7	51%	0.514	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	-86.7	-2.2	-178	-62.5	-60.9	-22.1	0	0	113.3	G378 V409 N410	G378-Q380 PolarHBondContact O-N 2.85Å; G378-Q380 VanDerWaalsContact O-N 3.12Å; Q380-V409 CarbonylContact O-C 3.57Å; Q380-V409 VanDerWaalsContact O-CA 3.28Å; Q380-V409 WeakPolarHBondContact O-CA 3.27Å; Q380-N410 VanDerWaalsContact C-OD1 3.29Å; Q380-N410 VanDerWaalsContact O-CG 3.25Å; Q380-N410 PolarHBondContact O-N 3.03Å; Q380-N410 PolarHBondContact O-OD1 3.15Å
381	Q	96.8	Very high	94.8	Very high	10 Å²	10	48.6 Å²	48.6	5%	0.047	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-120.7	10.6	-179.6	-63.9	75.7	40.1	0	0	112.1	A377 G378 K379 T383 F384 T385 A407	A377-Q381 HydrophobicContact CB-CB 4.12Å; G378-Q381 PolarHBondContact O-N 2.99Å; G378-Q381 VanDerWaalsContact O-N 3.08Å; G378-Q381 PolarHBondContact O-OE1 3.07Å; K379-Q381 VanDerWaalsContact C-N 3.34Å; Q381-T383 VanDerWaalsContact C-N 3.34Å; Q381-T383 PolarHBondContact O-N 2.91Å; Q381-F384 WeakPolarHBondContact O-CB 3.34Å; Q381-F384 PolarHBondContact O-N 3.44Å; Q381-F384 VanDerWaalsContact O-N 3.11Å; Q381-T385 PolarHBondContact O-N 2.74Å; Q381-T385 PolarHBondContact O-OG1 3.18Å; Q381-A407 HydrophobicContact CB-CB 4.36Å; Q381-A407 HydrophobicContact CG-CB 3.9Å
382	T	96.1	Very high	94.7	Very high	57 Å²	57	48.1 Å²	48.1	35%	0.35	27%	0.271	S	S	.	.	H	α-helix	trans	-58.7	-44.4	-177.3	38.9	0	0	0	0	111.8	K379 F384 T385 D386 N410	K379-T382 PolarHBondContact O-OG1 3.42Å; K379-T382 VanDerWaalsContact O-OG1 3.05Å; T382-F384 VanDerWaalsContact C-N 3.28Å; T382-F384 PolarHBondContact O-N 2.8Å; T382-T385 WeakPolarHBondContact CA-OG1 3.4Å; T382-T385 PolarHBondContact O-N 2.65Å; T382-T385 PolarHBondContact O-OG1 2.88Å; T382-D386 WeakPolarHBondContact O-CB 3.37Å; T382-D386 PolarHBondContact O-N 2.99Å; T382-N410 PolarHBondContact N-OD1 2.82Å; T382-N410 VanDerWaalsContact N-OD1 3.15Å; T382-N410 PolarHBondContact OG1-ND2 3.41Å; T382-N410 PolarHBondContact OG1-OD1 2.95Å
383	T	96.4	Very high	94.7	Very high	39 Å²	39	47.7 Å²	47.7	24%	0.239	27%	0.269	C	S	.	.	H	α-helix	trans	-58.2	-42.4	175.9	-53.4	0	0	0	0	111.4	Q381 L387 N410 F413 L418	Q381-T383 VanDerWaalsContact C-N 3.34Å; Q381-T383 PolarHBondContact O-N 2.91Å; T383-L387 HydrophobicContact CG2-CD1 4.15Å; T383-L387 WeakPolarHBondContact O-CB 3.41Å; T383-L387 WeakPolarHBondContact O-CG 3.5Å; T383-L387 PolarHBondContact O-N 2.84Å; T383-L387 VanDerWaalsContact O-N 3.14Å; T383-N410 WeakPolarHBondContact CB-OD1 3.07Å; T383-N410 PolarHBondContact N-OD1 3.44Å; T383-N410 PolarHBondContact OG1-OD1 2.99Å; T383-F413 HydrophobicContact CG2-CB 3.95Å; T383-F413 HydrophobicContact CG2-CD1 4.47Å; T383-F413 HydrophobicContact CG2-CD2 3.76Å; T383-F413 HydrophobicContact CG2-CE2 4.4Å; T383-F413 HydrophobicContact CG2-CG 3.8Å; T383-L418 HydrophobicContact CG2-CD2 4.41Å
384	F	97.1	Very high	94.4	Very high	1 Å²	1	49.4 Å²	49.4	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-65.1	-49.3	178.2	171.4	-102.4	0	0	0	111.8	Q381 T382 D386 L387 V388 L405 A407 P408 F413 L429 H432	Q381-F384 WeakPolarHBondContact O-CB 3.34Å; Q381-F384 PolarHBondContact O-N 3.44Å; Q381-F384 VanDerWaalsContact O-N 3.11Å; T382-F384 VanDerWaalsContact C-N 3.28Å; T382-F384 PolarHBondContact O-N 2.8Å; F384-D386 VanDerWaalsContact C-N 3.33Å; F384-D386 PolarHBondContact O-N 3.27Å; F384-L387 PolarHBondContact O-N 3.49Å; F384-V388 HydrophobicContact CD1-CG2 4.45Å; F384-V388 HydrophobicContact CD2-CG2 4.27Å; F384-V388 HydrophobicContact CE1-CG2 4.06Å; F384-V388 HydrophobicContact CE2-CG2 3.88Å; F384-V388 HydrophobicContact CZ-CG2 3.78Å; F384-V388 WeakPolarHBondContact O-CG2 3.35Å; F384-V388 PolarHBondContact O-N 2.88Å; F384-L405 HydrophobicContact CE1-CB 4.31Å; F384-L405 HydrophobicContact CE1-CD1 4.45Å; F384-A407 HydrophobicContact CD1-CB 3.5Å; F384-A407 VanDerWaalsContact CD1-CB 3.5Å; F384-A407 HydrophobicContact CE1-CB 3.66Å; F384-A407 HydrophobicContact CG-CB 4.1Å; F384-A407 HydrophobicContact CZ-CB 4.37Å; F384-P408 VanDerWaalsContact CD2-CD 3.48Å; F384-F413 HydrophobicContact CB-CE2 4Å; F384-F413 HydrophobicContact CB-CZ 4.05Å; F384-F413 HydrophobicContact CD2-CZ 4.14Å; F384-L429 HydrophobicContact CD2-CD2 3.91Å; F384-L429 HydrophobicContact CE2-CD2 3.93Å; F384-H432 HydrophobicContact CE2-CB 3.71Å; F384-H432 HydrophobicContact CZ-CB 4.06Å
385	T	95.4	Very high	94.1	Very high	34 Å²	34	51.2 Å²	51.2	21%	0.209	30%	0.298	C	S	.	.	H	α-helix	trans	-64.5	-38.4	-179.2	48.8	0	0	0	0	112.6	A377 Q381 T382 V388 A389	A377-T385 HydrophobicContact CB-CG2 3.34Å; Q381-T385 PolarHBondContact O-N 2.74Å; Q381-T385 PolarHBondContact O-OG1 3.18Å; T382-T385 WeakPolarHBondContact CA-OG1 3.4Å; T382-T385 PolarHBondContact O-N 2.65Å; T382-T385 PolarHBondContact O-OG1 2.88Å; T385-V388 PolarHBondContact O-N 2.91Å; T385-A389 WeakPolarHBondContact O-CB 3.16Å; T385-A389 PolarHBondContact O-N 3.39Å
386	D	94.9	Very high	93.8	Very high	103 Å²	103	50.1 Å²	50.1	55%	0.551	30%	0.302	S	S	*	.	H	α-helix	trans	-64.6	-42.9	178.3	-69.1	-11.1	0	0	0	110.8	T382 F384 A389 Q390	T382-D386 WeakPolarHBondContact O-CB 3.37Å; T382-D386 PolarHBondContact O-N 2.99Å; F384-D386 VanDerWaalsContact C-N 3.33Å; F384-D386 PolarHBondContact O-N 3.27Å; D386-A389 PolarHBondContact O-N 3.37Å; D386-Q390 VanDerWaalsContact O-CB 3.28Å; D386-Q390 WeakPolarHBondContact O-CB 3.47Å; D386-Q390 PolarHBondContact O-N 3.17Å
387	L	95.9	Very high	93.6	Very high	17 Å²	17	50.9 Å²	50.9	9%	0.089	31%	0.305	C	S	.	.	H	α-helix	trans	-66.5	-40.6	176.1	-69.9	171.9	0	0	0	112.5	T383 F384 A389 Q390 L391 F413 L418 L425 L429	T383-L387 HydrophobicContact CG2-CD1 4.15Å; T383-L387 WeakPolarHBondContact O-CB 3.41Å; T383-L387 WeakPolarHBondContact O-CG 3.5Å; T383-L387 PolarHBondContact O-N 2.84Å; T383-L387 VanDerWaalsContact O-N 3.14Å; F384-L387 PolarHBondContact O-N 3.49Å; L387-A389 VanDerWaalsContact C-N 3.29Å; L387-A389 PolarHBondContact O-N 2.85Å; L387-Q390 PolarHBondContact O-N 3.35Å; L387-L391 WeakPolarHBondContact O-CB 3.14Å; L387-L391 WeakPolarHBondContact O-CG 3.46Å; L387-L391 PolarHBondContact O-N 3.07Å; L387-F413 HydrophobicContact CD1-CD1 3.83Å; L387-F413 HydrophobicContact CD1-CE1 3.74Å; L387-F413 HydrophobicContact CD1-CZ 4.4Å; L387-L418 HydrophobicContact CD1-CD2 4.03Å; L387-L418 HydrophobicContact CD2-CD2 4.45Å; L387-L425 HydrophobicContact CD1-CD2 4.3Å; L387-L425 HydrophobicContact CD2-CD2 3.95Å; L387-L429 HydrophobicContact CB-CD1 3.54Å
388	V	95.3	Very high	93.4	Very high	6 Å²	6	57 Å²	57	4%	0.036	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-40.2	174.8	167.2	0	0	0	0	110.8	F384 T385 L393 A394 L397 L429 I433	F384-V388 HydrophobicContact CD1-CG2 4.45Å; F384-V388 HydrophobicContact CD2-CG2 4.27Å; F384-V388 HydrophobicContact CE1-CG2 4.06Å; F384-V388 HydrophobicContact CE2-CG2 3.88Å; F384-V388 HydrophobicContact CZ-CG2 3.78Å; F384-V388 WeakPolarHBondContact O-CG2 3.35Å; F384-V388 PolarHBondContact O-N 2.88Å; T385-V388 PolarHBondContact O-N 2.91Å; V388-L393 HydrophobicContact CG1-CB 3.89Å; V388-L393 WeakPolarHBondContact O-CA 3.36Å; V388-L393 WeakPolarHBondContact O-CB 3.35Å; V388-L393 PolarHBondContact O-N 2.86Å; V388-A394 HydrophobicContact CG1-CB 4.43Å; V388-A394 PolarHBondContact O-N 2.99Å; V388-A394 VanDerWaalsContact O-N 3.15Å; V388-L397 HydrophobicContact CG1-CD1 4.37Å; V388-L429 HydrophobicContact CG2-CD1 4.44Å; V388-I433 HydrophobicContact CG1-CD1 4.32Å
389	A	93.8	Very high	93.2	Very high	57 Å²	57	59.9 Å²	59.9	47%	0.471	34%	0.337	S	S	.	.	H	α-helix	trans	-68.3	-52.5	175.1	0	0	0	0	0	112	T385 D386 L387 L391 G392 A394	T385-A389 WeakPolarHBondContact O-CB 3.16Å; T385-A389 PolarHBondContact O-N 3.39Å; D386-A389 PolarHBondContact O-N 3.37Å; L387-A389 VanDerWaalsContact C-N 3.29Å; L387-A389 PolarHBondContact O-N 2.85Å; A389-L391 VanDerWaalsContact C-N 3.31Å; A389-L391 PolarHBondContact O-N 3.1Å; A389-G392 PolarHBondContact O-N 2.82Å; A389-A394 HydrophobicContact CB-CB 4.47Å
390	Q	94.3	Very high	93	Very high	137 Å²	137	57.6 Å²	57.6	64%	0.64	33%	0.333	S	S	*	.	H	α-helix	trans	-61.1	-36.2	-175.6	-172.9	179.5	6.7	0	0	113	D386 L387 G392	D386-Q390 VanDerWaalsContact O-CB 3.28Å; D386-Q390 WeakPolarHBondContact O-CB 3.47Å; D386-Q390 PolarHBondContact O-N 3.17Å; L387-Q390 PolarHBondContact O-N 3.35Å; Q390-G392 VanDerWaalsContact C-N 3.26Å; Q390-G392 PolarHBondContact O-N 2.87Å
391	L	95.1	Very high	92.9	Very high	19 Å²	19	53.2 Å²	53.2	10%	0.099	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	5.5	179.6	-58.8	-177.9	0	0	0	113.5	L387 A389 Q422 L425 K426 L429	L387-L391 WeakPolarHBondContact O-CB 3.14Å; L387-L391 WeakPolarHBondContact O-CG 3.46Å; L387-L391 PolarHBondContact O-N 3.07Å; A389-L391 VanDerWaalsContact C-N 3.31Å; A389-L391 PolarHBondContact O-N 3.1Å; L391-Q422 HydrophobicContact CD2-CB 4.06Å; L391-Q422 HydrophobicContact CD2-CG 4.44Å; L391-L425 HydrophobicContact CD1-CB 4.32Å; L391-L425 HydrophobicContact CD1-CD2 4.38Å; L391-L425 HydrophobicContact CD1-CG 4.12Å; L391-K426 HydrophobicContact CB-CB 4.37Å; L391-K426 HydrophobicContact CB-CD 4.39Å; L391-K426 HydrophobicContact CB-CG 4.33Å; L391-K426 HydrophobicContact CD1-CB 3.92Å; L391-K426 WeakPolarHBondContact O-CE 3.15Å; L391-K426 PolarHBondContact O-NZ 3.25Å; L391-L429 HydrophobicContact CD1-CD1 3.8Å
392	G	93.4	Very high	92.8	Very high	37 Å²	37	57.7 Å²	57.7	38%	0.381	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	28.6	176.6	0	0	0	0	0	113.8	A389 Q390 S395	A389-G392 PolarHBondContact O-N 2.82Å; Q390-G392 VanDerWaalsContact C-N 3.26Å; Q390-G392 PolarHBondContact O-N 2.87Å; G392-S395 PolarHBondContact O-OG 2.59Å; G392-S395 VanDerWaalsContact O-OG 3.13Å
393	L	94	Very high	92.9	Very high	6 Å²	6	56.2 Å²	56.2	3%	0.031	33%	0.327	C	S	.	.			trans	-86.8	-25	173.7	-64.9	176.4	0	0	0	111.6	V388 S395 A396 K426 L429 Q430 I433	V388-L393 HydrophobicContact CG1-CB 3.89Å; V388-L393 WeakPolarHBondContact O-CA 3.36Å; V388-L393 WeakPolarHBondContact O-CB 3.35Å; V388-L393 PolarHBondContact O-N 2.86Å; L393-S395 VanDerWaalsContact C-N 3.25Å; L393-S395 PolarHBondContact O-N 3.24Å; L393-A396 WeakPolarHBondContact O-CB 3.43Å; L393-A396 PolarHBondContact O-N 3.07Å; L393-K426 HydrophobicContact CD1-CG 4.41Å; L393-K426 HydrophobicContact CD2-CG 4.21Å; L393-K426 HydrophobicContact CG-CG 4.4Å; L393-L429 HydrophobicContact CD1-CB 3.57Å; L393-Q430 HydrophobicContact CD1-CG 4.2Å; L393-Q430 HydrophobicContact CD2-CG 3.61Å; L393-I433 HydrophobicContact CB-CD1 4.24Å; L393-I433 HydrophobicContact CD1-CD1 4.48Å
394	A	89.9	Confident	93	Very high	38 Å²	38	54.3 Å²	54.3	31%	0.314	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-58	-34.9	176.1	0	0	0	0	0	113.1	V388 A389 A396 L397	V388-A394 HydrophobicContact CG1-CB 4.43Å; V388-A394 PolarHBondContact O-N 2.99Å; V388-A394 VanDerWaalsContact O-N 3.15Å; A389-A394 HydrophobicContact CB-CB 4.47Å; A394-A396 PolarHBondContact O-N 3.45Å; A394-L397 WeakPolarHBondContact O-CB 3.35Å; A394-L397 PolarHBondContact O-N 3.02Å
395	S	85.8	Confident	93.1	Very high	98 Å²	98	54.4 Å²	54.4	69%	0.685	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-68	-16.4	177.1	56.4	0	0	0	0	114.1	G392 L393 L397	G392-S395 PolarHBondContact O-OG 2.59Å; G392-S395 VanDerWaalsContact O-OG 3.13Å; L393-S395 VanDerWaalsContact C-N 3.25Å; L393-S395 PolarHBondContact O-N 3.24Å; S395-L397 VanDerWaalsContact C-N 3.32Å
396	A	87.1	Confident	93.2	Very high	47 Å²	47	52.9 Å²	52.9	39%	0.388	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-81.3	-15.1	173.7	0	0	0	0	0	112.6	L393 A394 R398 Y403	L393-A396 WeakPolarHBondContact O-CB 3.43Å; L393-A396 PolarHBondContact O-N 3.07Å; A394-A396 PolarHBondContact O-N 3.45Å; A396-R398 PolarHBondContact O-N 2.76Å; A396-Y403 WeakPolarHBondContact O-CE1 3.47Å; A396-Y403 VanDerWaalsContact O-CZ 3.31Å; A396-Y403 PolarHBondContact O-OH 2.84Å
397	L	91.3	Very high	93.3	Very high	16 Å²	16	48 Å²	48	8%	0.084	28%	0.28	C	S	.	.	S	Bend	trans	-90.6	76.4	179.2	-56.4	175.6	0	0	0	109.4	V373 T374 V388 A394 S395 Y403 L405 I433	V373-L397 HydrophobicContact CG1-CD1 4.35Å; T374-L397 HydrophobicContact CG2-CB 4.32Å; T374-L397 HydrophobicContact CG2-CD1 3.35Å; T374-L397 HydrophobicContact CG2-CG 4.46Å; V388-L397 HydrophobicContact CG1-CD1 4.37Å; A394-L397 WeakPolarHBondContact O-CB 3.35Å; A394-L397 PolarHBondContact O-N 3.02Å; S395-L397 VanDerWaalsContact C-N 3.32Å; L397-Y403 HydrophobicContact CB-CE2 4.48Å; L397-Y403 HydrophobicContact CD2-CD1 3.53Å; L397-Y403 HydrophobicContact CD2-CD2 4.1Å; L397-Y403 HydrophobicContact CD2-CE1 3.96Å; L397-Y403 HydrophobicContact CD2-CG 3.6Å; L397-L405 HydrophobicContact CD1-CD2 4.09Å; L397-L405 HydrophobicContact CD2-CD2 4.35Å; L397-I433 HydrophobicContact CD2-CD1 4.48Å; L397-I433 HydrophobicContact CD2-CG2 3.7Å
398	R	88.6	Confident	93.4	Very high	155 Å²	155	47.1 Å²	47.1	59%	0.585	28%	0.276	S	S	*	.			trans	-77.5	151.3	-174.7	-57.3	-177.4	176.3	178.5	-0.9	111.6	A396 D400 G401 Y403 N482	A396-R398 PolarHBondContact O-N 2.76Å; R398-D400 WeakPolarHBondContact CB-OD1 3.31Å; R398-D400 PolarHBondContact O-N 3.41Å; R398-G401 PolarHBondContact O-N 3.49Å; R398-Y403 PolarHBondContact N-OH 3.26Å; R398-Y403 WeakPolarHBondContact O-CE2 3.36Å; R398-N482 PolarHBondContact O-ND2 3.08Å; R398-N482 VanDerWaalsContact O-ND2 3.13Å
399	P	87.6	Confident	93.5	Very high	85 Å²	85	47.6 Å²	47.6	55%	0.552	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-28.2	179.8	-24.2	34.8	0	0	0	115
400	D	88.8	Confident	93.7	Very high	137 Å²	137	46.3 Å²	46.3	73%	0.733	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-11	179.8	61.9	-41.2	0	0	0	113.9	R398	R398-D400 WeakPolarHBondContact CB-OD1 3.31Å; R398-D400 PolarHBondContact O-N 3.41Å
401	G	92.8	Very high	93.8	Very high	18 Å²	18	46.9 Å²	46.9	19%	0.186	27%	0.272	C	S	.	.	S	Bend	trans	-95.3	159.6	177.7	0	0	0	0	0	112.7	R398 Y403 N482	R398-G401 PolarHBondContact O-N 3.49Å; G401-Y403 VanDerWaalsContact O-CE2 3.31Å; G401-Y403 WeakPolarHBondContact O-CE2 3.46Å; G401-N482 WeakPolarHBondContact O-CB 3.41Å; G401-N482 PolarHBondContact O-ND2 3.4Å
402	E	96.3	Very high	93.8	Very high	105 Å²	105	47 Å²	47	49%	0.491	28%	0.275	S	S	.	.			trans	-109.1	133.9	175.3	-70.9	-164.2	147.2	0	0	112.2	K435 V436 K437 N482	E402-K435 CarbonylContact O-C 3.55Å; E402-K435 VanDerWaalsContact O-O 3.1Å; E402-V436 PolarHBondContact O-N 3.11Å; E402-K437 HydrophobicContact CB-CB 3.9Å; E402-K437 HydrophobicContact CG-CB 4.37Å; E402-N482 VanDerWaalsContact CA-O 3.27Å; E402-N482 WeakPolarHBondContact CA-O 3.21Å
403	Y	97.4	Very high	93.9	Very high	25 Å²	25	45.9 Å²	45.9	10%	0.098	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	156.1	-173.2	-51.7	-87.4	0	0	0	113.2	V373 A396 L397 R398 G401 I433 L434 V436 N482 G483 A484	V373-Y403 HydrophobicContact CG1-CD2 4.46Å; A396-Y403 WeakPolarHBondContact O-CE1 3.47Å; A396-Y403 VanDerWaalsContact O-CZ 3.31Å; A396-Y403 PolarHBondContact O-OH 2.84Å; L397-Y403 HydrophobicContact CB-CE2 4.48Å; L397-Y403 HydrophobicContact CD2-CD1 3.53Å; L397-Y403 HydrophobicContact CD2-CD2 4.1Å; L397-Y403 HydrophobicContact CD2-CE1 3.96Å; L397-Y403 HydrophobicContact CD2-CG 3.6Å; R398-Y403 PolarHBondContact N-OH 3.26Å; R398-Y403 WeakPolarHBondContact O-CE2 3.36Å; G401-Y403 VanDerWaalsContact O-CE2 3.31Å; G401-Y403 WeakPolarHBondContact O-CE2 3.46Å; Y403-I433 HydrophobicContact CD1-CG2 4.43Å; Y403-L434 WeakPolarHBondContact CA-O 3.46Å; Y403-V436 CarbonylContact C-O 3.5Å; Y403-N482 PolarHBondContact N-O 2.85Å; Y403-G483 CarbonylContact O-C 3.58Å; Y403-G483 WeakPolarHBondContact O-CA 3.43Å; Y403-A484 PolarHBondContact O-N 3.05Å
404	T	98.2	Very high	93.9	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	125.8	164	-73	0	0	0	0	110.1	L406 L434 V436 V438 A484 H486	T404-L406 HydrophobicContact CG2-CD2 3.88Å; T404-L434 HydrophobicContact CG2-CD1 4.01Å; T404-L434 HydrophobicContact CG2-CG 4.5Å; T404-L434 PolarHBondContact N-O 3.08Å; T404-L434 PolarHBondContact O-N 3.35Å; T404-V436 PolarHBondContact N-O 3.47Å; T404-V436 PolarHBondContact OG1-O 2.73Å; T404-V438 PolarHBondContact OG1-N 2.9Å; T404-V438 PolarHBondContact OG1-O 2.97Å; T404-A484 CarbonylContact C-O 3.56Å; T404-A484 VanDerWaalsContact CA-O 3.27Å; T404-A484 WeakPolarHBondContact CA-O 3.33Å; T404-H486 VanDerWaalsContact CG2-CD2 3.47Å; T404-H486 WeakPolarHBondContact CG2-CD2 3.46Å
405	L	98.3	Very high	94	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.2	174.3	-60.6	-178.3	0	0	0	109.7	V373 F384 L397 A407 I433 A484 I485 H486	V373-L405 HydrophobicContact CB-CD1 4.5Å; V373-L405 HydrophobicContact CG1-CD1 4.26Å; V373-L405 HydrophobicContact CG1-CG 4.42Å; V373-L405 HydrophobicContact CG2-CB 4.48Å; V373-L405 HydrophobicContact CG2-CD1 3.84Å; V373-L405 HydrophobicContact CG2-CG 3.68Å; F384-L405 HydrophobicContact CE1-CB 4.31Å; F384-L405 HydrophobicContact CE1-CD1 4.45Å; L397-L405 HydrophobicContact CD1-CD2 4.09Å; L397-L405 HydrophobicContact CD2-CD2 4.35Å; L405-A407 PolarHBondContact O-N 2.86Å; L405-I433 HydrophobicContact CD2-CB 4.37Å; L405-I433 HydrophobicContact CD2-CD1 4.26Å; L405-I433 HydrophobicContact CD2-CG1 3.77Å; L405-I433 HydrophobicContact CD2-CG2 4.13Å; L405-A484 PolarHBondContact N-O 2.99Å; L405-I485 HydrophobicContact CB-CB 4.32Å; L405-I485 HydrophobicContact CB-CD1 4.48Å; L405-I485 HydrophobicContact CB-CG1 4.03Å; L405-I485 WeakPolarHBondContact O-CA 3.32Å; L405-H486 PolarHBondContact O-N 2.95Å
406	L	98.2	Very high	94.2	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	79.3	172.2	-50.7	179.3	0	0	0	107.3	T404 P408 H432 L434 L457 V468 H486 F488 I492	T404-L406 HydrophobicContact CG2-CD2 3.88Å; L406-P408 VanDerWaalsContact O-CD 3.29Å; L406-P408 WeakPolarHBondContact O-CD 3.46Å; L406-H432 HydrophobicContact CB-CB 4.43Å; L406-H432 PolarHBondContact N-O 3.19Å; L406-H432 WeakPolarHBondContact O-CB 3.34Å; L406-H432 PolarHBondContact O-CD2 2.81Å; L406-L434 HydrophobicContact CD1-CD1 4.48Å; L406-L434 HydrophobicContact CD1-CD2 4.19Å; L406-L434 HydrophobicContact CD1-CG 4.36Å; L406-L434 HydrophobicContact CD2-CD1 4.33Å; L406-L434 HydrophobicContact CG-CG 4.45Å; L406-L457 HydrophobicContact CD1-CD1 3.6Å; L406-V468 HydrophobicContact CD1-CG1 4.41Å; L406-H486 CarbonylContact C-O 3.57Å; L406-H486 HydrophobicContact CD2-CB 4.31Å; L406-F488 HydrophobicContact CB-CD2 3.9Å; L406-F488 HydrophobicContact CB-CE2 3.63Å; L406-F488 HydrophobicContact CB-CZ 4.43Å; L406-F488 HydrophobicContact CD2-CE2 3.6Å; L406-F488 HydrophobicContact CD2-CZ 4.01Å; L406-F488 HydrophobicContact CG-CE2 4.14Å; L406-I492 HydrophobicContact CB-CD1 3.72Å; L406-I492 HydrophobicContact CD1-CD1 3.59Å; L406-I492 HydrophobicContact CG-CD1 4.28Å
407	A	98	Very high	94.3	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	113.3	-167.1	0	0	0	0	0	112.3	Q381 F384 L405 I485 H486 I487 F488	Q381-A407 HydrophobicContact CB-CB 4.36Å; Q381-A407 HydrophobicContact CG-CB 3.9Å; F384-A407 HydrophobicContact CD1-CB 3.5Å; F384-A407 VanDerWaalsContact CD1-CB 3.5Å; F384-A407 HydrophobicContact CE1-CB 3.66Å; F384-A407 HydrophobicContact CG-CB 4.1Å; F384-A407 HydrophobicContact CZ-CB 4.37Å; L405-A407 PolarHBondContact O-N 2.86Å; A407-I485 HydrophobicContact CB-CD1 3.73Å; A407-I485 HydrophobicContact CB-CG1 3.87Å; A407-H486 PolarHBondContact N-O 2.87Å; A407-I487 CarbonylContact O-C 3.51Å; A407-I487 WeakPolarHBondContact O-CA 3.5Å; A407-F488 PolarHBondContact O-N 3.41Å
408	P	97.9	Very high	94.2	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	151.1	172.7	-16.9	33.2	0	0	0	111.3	F384 L406 A412 F413 F488 I491	F384-P408 VanDerWaalsContact CD2-CD 3.48Å; L406-P408 VanDerWaalsContact O-CD 3.29Å; L406-P408 WeakPolarHBondContact O-CD 3.46Å; P408-A412 HydrophobicContact CB-CB 3.7Å; P408-F413 HydrophobicContact CB-CE2 3.89Å; P408-F413 HydrophobicContact CB-CZ 4.13Å; P408-F413 HydrophobicContact CG-CE2 4.29Å; P408-F413 HydrophobicContact CG-CZ 4.02Å; P408-F488 CarbonylContact C-O 3.49Å; P408-F488 VanDerWaalsContact CA-O 3.24Å; P408-F488 WeakPolarHBondContact CA-O 3.45Å; P408-I491 HydrophobicContact CB-CG1 4.41Å; P408-I491 HydrophobicContact CG-CG1 4.26Å
409	V	97.7	Very high	94.4	Very high	15 Å²	15	56.6 Å²	56.6	9%	0.091	30%	0.299	C	S	.	.			trans	-65.4	155.1	170.6	-65.3	0	0	0	0	111.4	Q380 N411 A412 I487 F488	Q380-V409 CarbonylContact O-C 3.57Å; Q380-V409 VanDerWaalsContact O-CA 3.28Å; Q380-V409 WeakPolarHBondContact O-CA 3.27Å; V409-N411 HydrophobicContact CG2-CB 4.5Å; V409-N411 PolarHBondContact O-N 2.9Å; V409-N411 VanDerWaalsContact O-N 3.12Å; V409-A412 HydrophobicContact CG2-CB 4.28Å; V409-A412 WeakPolarHBondContact O-CB 3.41Å; V409-A412 PolarHBondContact O-N 2.92Å; V409-I487 HydrophobicContact CG1-CG2 3.59Å; V409-F488 PolarHBondContact N-O 3.37Å
410	N	97	Very high	94.6	Very high	31 Å²	31	55.8 Å²	55.8	17%	0.166	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-52.4	-39.4	-179.2	-68.8	-14.7	0	0	0	112.8	K379 Q380 T382 T383 A412 F413	K379-N410 PolarHBondContact O-ND2 3.13Å; Q380-N410 VanDerWaalsContact C-OD1 3.29Å; Q380-N410 VanDerWaalsContact O-CG 3.25Å; Q380-N410 PolarHBondContact O-N 3.03Å; Q380-N410 PolarHBondContact O-OD1 3.15Å; T382-N410 PolarHBondContact N-OD1 2.82Å; T382-N410 VanDerWaalsContact N-OD1 3.15Å; T382-N410 PolarHBondContact OG1-ND2 3.41Å; T382-N410 PolarHBondContact OG1-OD1 2.95Å; T383-N410 WeakPolarHBondContact CB-OD1 3.07Å; T383-N410 PolarHBondContact N-OD1 3.44Å; T383-N410 PolarHBondContact OG1-OD1 2.99Å; N410-A412 PolarHBondContact O-N 2.9Å; N410-F413 PolarHBondContact O-N 2.83Å; N410-F413 VanDerWaalsContact O-N 3.16Å
411	N	96	Very high	94.9	Very high	149 Å²	149	54.1 Å²	54.1	80%	0.797	28%	0.28	S	S	*	.	G	3₁₀ helix	trans	-67.7	-13.3	179.5	-65.6	-11.6	0	0	0	113.8	V409 F413	V409-N411 HydrophobicContact CG2-CB 4.5Å; V409-N411 PolarHBondContact O-N 2.9Å; V409-N411 VanDerWaalsContact O-N 3.12Å; N411-F413 PolarHBondContact O-N 2.93Å
412	A	96	Very high	94.8	Very high	21 Å²	21	59 Å²	59	17%	0.174	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-72.9	-17.8	174.6	0	0	0	0	0	112.7	P408 V409 N410 R489 I491	P408-A412 HydrophobicContact CB-CB 3.7Å; V409-A412 HydrophobicContact CG2-CB 4.28Å; V409-A412 WeakPolarHBondContact O-CB 3.41Å; V409-A412 PolarHBondContact O-N 2.92Å; N410-A412 PolarHBondContact O-N 2.9Å; A412-R489 WeakPolarHBondContact CB-O 3.33Å; A412-I491 HydrophobicContact CB-CG1 4.27Å
413	F	95.8	Very high	94.7	Very high	14 Å²	14	63.7 Å²	63.7	6%	0.061	31%	0.311	C	S	.	.	S	Bend	trans	-96.7	95.9	179.5	-62.1	-86.2	0	0	0	110.4	T383 F384 L387 P408 N410 N411 T417 L418 L429 I491	T383-F413 HydrophobicContact CG2-CB 3.95Å; T383-F413 HydrophobicContact CG2-CD1 4.47Å; T383-F413 HydrophobicContact CG2-CD2 3.76Å; T383-F413 HydrophobicContact CG2-CE2 4.4Å; T383-F413 HydrophobicContact CG2-CG 3.8Å; F384-F413 HydrophobicContact CB-CE2 4Å; F384-F413 HydrophobicContact CB-CZ 4.05Å; F384-F413 HydrophobicContact CD2-CZ 4.14Å; L387-F413 HydrophobicContact CD1-CD1 3.83Å; L387-F413 HydrophobicContact CD1-CE1 3.74Å; L387-F413 HydrophobicContact CD1-CZ 4.4Å; P408-F413 HydrophobicContact CB-CE2 3.89Å; P408-F413 HydrophobicContact CB-CZ 4.13Å; P408-F413 HydrophobicContact CG-CE2 4.29Å; P408-F413 HydrophobicContact CG-CZ 4.02Å; N410-F413 PolarHBondContact O-N 2.83Å; N410-F413 VanDerWaalsContact O-N 3.16Å; N411-F413 PolarHBondContact O-N 2.93Å; F413-T417 HydrophobicContact CD1-CG2 4.49Å; F413-L418 HydrophobicContact CB-CD2 4.18Å; F413-L418 HydrophobicContact CB-CG 4.36Å; F413-L429 HydrophobicContact CE1-CD2 4.33Å; F413-I491 HydrophobicContact CD1-CD1 3.76Å; F413-I491 HydrophobicContact CD1-CG1 4.46Å; F413-I491 HydrophobicContact CE1-CD1 3.85Å; F413-I491 HydrophobicContact CE1-CG1 4.22Å; F413-I491 HydrophobicContact CG-CD1 4.43Å
414	S	94.1	Very high	94.5	Very high	55 Å²	55	66.5 Å²	66.5	39%	0.385	33%	0.328	S	S	.	.			trans	-74.1	160.8	174.3	66.4	0	0	0	0	112.6	D416 T417 L418	S414-D416 PolarHBondContact O-N 2.95Å; S414-T417 WeakPolarHBondContact O-CA 3.45Å; S414-T417 WeakPolarHBondContact O-CB 3.44Å; S414-T417 PolarHBondContact O-N 3.06Å; S414-T417 PolarHBondContact OG-N 3.15Å; S414-T417 PolarHBondContact OG-OG1 2.82Å; S414-L418 PolarHBondContact O-N 3.3Å
415	D	91.5	Very high	94.3	Very high	111 Å²	111	66.8 Å²	66.8	59%	0.594	33%	0.329	S	S	*	.	H	α-helix	trans	-52.9	-40.6	174.1	-74.7	-7	0	0	0	112.4	T417 L418 R419	D415-T417 VanDerWaalsContact C-N 3.33Å; D415-T417 PolarHBondContact O-N 2.63Å; D415-L418 PolarHBondContact O-N 3.28Å; D415-R419 WeakPolarHBondContact O-CB 3.01Å; D415-R419 VanDerWaalsContact O-CG 3.24Å; D415-R419 WeakPolarHBondContact O-CG 3.24Å; D415-R419 PolarHBondContact O-N 3.37Å
416	D	90.2	Very high	94.2	Very high	121 Å²	121	70.2 Å²	70.2	65%	0.647	34%	0.344	S	S	*	.	H	α-helix	trans	-64.1	-39.9	177.3	-66.8	-28.3	0	0	0	111.6	S414 L418 R419 M420	S414-D416 PolarHBondContact O-N 2.95Å; D416-L418 VanDerWaalsContact C-N 3.35Å; D416-R419 PolarHBondContact O-N 2.96Å; D416-M420 WeakPolarHBondContact O-CG 3.49Å; D416-M420 PolarHBondContact O-N 3.21Å
417	T	88.7	Confident	94	Very high	23 Å²	23	74.7 Å²	74.7	14%	0.141	37%	0.367	C	S	.	.	H	α-helix	trans	-64.5	-41.9	177.1	-54.7	0	0	0	0	110.9	F413 S414 D415 R419 M420 L425 I491	F413-T417 HydrophobicContact CD1-CG2 4.49Å; S414-T417 WeakPolarHBondContact O-CA 3.45Å; S414-T417 WeakPolarHBondContact O-CB 3.44Å; S414-T417 PolarHBondContact O-N 3.06Å; S414-T417 PolarHBondContact OG-N 3.15Å; S414-T417 PolarHBondContact OG-OG1 2.82Å; D415-T417 VanDerWaalsContact C-N 3.33Å; D415-T417 PolarHBondContact O-N 2.63Å; T417-R419 VanDerWaalsContact C-N 3.29Å; T417-R419 PolarHBondContact O-N 3.41Å; T417-M420 HydrophobicContact CG2-SD 4.46Å; T417-M420 WeakPolarHBondContact O-CB 3.1Å; T417-M420 PolarHBondContact O-N 3.37Å; T417-L425 HydrophobicContact CG2-CD1 4.32Å; T417-I491 HydrophobicContact CG2-CD1 3.65Å
418	L	89.9	Confident	93.9	Very high	77 Å²	77	76.4 Å²	76.4	40%	0.403	38%	0.376	S	S	.	.	H	α-helix	trans	-72.1	-22.4	-179.7	-65	174.8	0	0	0	113	T383 L387 F413 S414 D415 D416	T383-L418 HydrophobicContact CG2-CD2 4.41Å; L387-L418 HydrophobicContact CD1-CD2 4.03Å; L387-L418 HydrophobicContact CD2-CD2 4.45Å; F413-L418 HydrophobicContact CB-CD2 4.18Å; F413-L418 HydrophobicContact CB-CG 4.36Å; S414-L418 PolarHBondContact O-N 3.3Å; D415-L418 PolarHBondContact O-N 3.28Å; D416-L418 VanDerWaalsContact C-N 3.35Å
419	R	91.9	Very high	93.8	Very high	198 Å²	198	76.4 Å²	76.4	75%	0.747	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-6.5	174.7	-71.2	172.5	-176.3	-179.4	4.5	113.8	D415 D416 T417	D415-R419 WeakPolarHBondContact O-CB 3.01Å; D415-R419 VanDerWaalsContact O-CG 3.24Å; D415-R419 WeakPolarHBondContact O-CG 3.24Å; D415-R419 PolarHBondContact O-N 3.37Å; D416-R419 PolarHBondContact O-N 2.96Å; T417-R419 VanDerWaalsContact C-N 3.29Å; T417-R419 PolarHBondContact O-N 3.41Å
420	M	92.6	Very high	93.7	Very high	68 Å²	68	77.9 Å²	77.9	34%	0.335	38%	0.382	S	S	.	.	S	Bend	trans	-62.6	158.5	176.7	-71.1	177.5	61.1	0	0	111.7	D416 T417 Q422 L424 I428	D416-M420 WeakPolarHBondContact O-CG 3.49Å; D416-M420 PolarHBondContact O-N 3.21Å; T417-M420 HydrophobicContact CG2-SD 4.46Å; T417-M420 WeakPolarHBondContact O-CB 3.1Å; T417-M420 PolarHBondContact O-N 3.37Å; M420-Q422 PolarHBondContact O-N 2.94Å; M420-L424 HydrophobicContact CE-CB 4.48Å; M420-L424 HydrophobicContact CE-CD2 3.25Å; M420-L424 HydrophobicContact CE-CG 3.69Å; M420-I428 HydrophobicContact CE-CD1 4.03Å
421	D	93.9	Very high	93.7	Very high	102 Å²	102	77.2 Å²	77.2	55%	0.545	38%	0.378	S	S	.	.			trans	-54.8	129.6	172.6	-179.2	-89.2	0	0	0	110.9	R423 L424 L425	D421-R423 PolarHBondContact O-N 2.91Å; D421-R423 WeakPolarHBondContact OD1-CA 3.23Å; D421-R423 WeakPolarHBondContact OD1-CB 3.31Å; D421-R423 WeakPolarHBondContact OD1-CG 3.09Å; D421-R423 PolarHBondContact OD1-N 2.66Å; D421-L424 HydrophobicContact CB-CB 4.46Å; D421-L424 WeakPolarHBondContact O-CB 3.22Å; D421-L424 PolarHBondContact O-N 3.16Å; D421-L424 PolarHBondContact OD1-N 3.36Å; D421-L425 PolarHBondContact O-N 3Å
422	Q	92.2	Very high	93.8	Very high	121 Å²	121	70.2 Å²	70.2	57%	0.565	34%	0.341	S	S	*	.	H	α-helix	trans	-63	-26.1	-174.2	-68.9	-177.5	-4.6	0	0	113	L391 M420 K426	L391-Q422 HydrophobicContact CD2-CB 4.06Å; L391-Q422 HydrophobicContact CD2-CG 4.44Å; M420-Q422 PolarHBondContact O-N 2.94Å; Q422-K426 VanDerWaalsContact O-CB 3.27Å; Q422-K426 WeakPolarHBondContact O-CB 3.47Å; Q422-K426 PolarHBondContact O-N 3.5Å
423	R	93.3	Very high	93.9	Very high	203 Å²	203	69.2 Å²	69.2	77%	0.766	33%	0.333	S	S	*	.	H	α-helix	trans	-71.1	-40.3	175.9	-55.2	174.8	170.4	167.4	-2	110.4	D421 K426 L427	D421-R423 PolarHBondContact O-N 2.91Å; D421-R423 WeakPolarHBondContact OD1-CA 3.23Å; D421-R423 WeakPolarHBondContact OD1-CB 3.31Å; D421-R423 WeakPolarHBondContact OD1-CG 3.09Å; D421-R423 PolarHBondContact OD1-N 2.66Å; R423-K426 WeakPolarHBondContact O-CB 3.02Å; R423-K426 PolarHBondContact O-N 2.55Å; R423-L427 WeakPolarHBondContact O-CG 2.87Å; R423-L427 PolarHBondContact O-N 2.93Å; R423-L427 VanDerWaalsContact O-N 3.09Å
424	L	93.8	Very high	93.9	Very high	84 Å²	84	68.8 Å²	68.8	44%	0.44	33%	0.331	S	S	.	.	H	α-helix	trans	-67.4	-43	175.2	-175.4	57.3	0	0	0	111.2	M420 D421 K426 L427 I428	M420-L424 HydrophobicContact CE-CB 4.48Å; M420-L424 HydrophobicContact CE-CD2 3.25Å; M420-L424 HydrophobicContact CE-CG 3.69Å; D421-L424 HydrophobicContact CB-CB 4.46Å; D421-L424 WeakPolarHBondContact O-CB 3.22Å; D421-L424 PolarHBondContact O-N 3.16Å; D421-L424 PolarHBondContact OD1-N 3.36Å; L424-K426 VanDerWaalsContact C-N 3.29Å; L424-K426 PolarHBondContact O-N 3.38Å; L424-L427 WeakPolarHBondContact O-CB 3.26Å; L424-L427 PolarHBondContact O-N 3.5Å; L424-I428 WeakPolarHBondContact O-CG1 3.29Å; L424-I428 PolarHBondContact O-N 3.31Å
425	L	94.3	Very high	93.9	Very high	6 Å²	6	71.1 Å²	71.1	3%	0.031	33%	0.334	C	S	.	.	H	α-helix	trans	-61.2	-39.6	174.6	-173.3	59.1	0	0	0	111.6	L387 L391 T417 D421 L427 I428 L429	L387-L425 HydrophobicContact CD1-CD2 4.3Å; L387-L425 HydrophobicContact CD2-CD2 3.95Å; L391-L425 HydrophobicContact CD1-CB 4.32Å; L391-L425 HydrophobicContact CD1-CD2 4.38Å; L391-L425 HydrophobicContact CD1-CG 4.12Å; T417-L425 HydrophobicContact CG2-CD1 4.32Å; D421-L425 PolarHBondContact O-N 3Å; L425-L427 PolarHBondContact O-N 2.92Å; L425-I428 WeakPolarHBondContact O-CB 3.21Å; L425-I428 PolarHBondContact O-N 3.4Å; L425-L429 HydrophobicContact CG-CD1 4.48Å; L425-L429 WeakPolarHBondContact O-CG 3.36Å; L425-L429 PolarHBondContact O-N 3.43Å
426	K	95.3	Very high	94.1	Very high	74 Å²	74	69.4 Å²	69.4	32%	0.322	33%	0.328	S	S	.	.	H	α-helix	trans	-59.4	-44.1	174	-176.8	170.2	179.3	155.1	0	112.2	L391 L393 Q422 R423 L424 I428 L429 Q430	L391-K426 HydrophobicContact CB-CB 4.37Å; L391-K426 HydrophobicContact CB-CD 4.39Å; L391-K426 HydrophobicContact CB-CG 4.33Å; L391-K426 HydrophobicContact CD1-CB 3.92Å; L391-K426 WeakPolarHBondContact O-CE 3.15Å; L391-K426 PolarHBondContact O-NZ 3.25Å; L393-K426 HydrophobicContact CD1-CG 4.41Å; L393-K426 HydrophobicContact CD2-CG 4.21Å; L393-K426 HydrophobicContact CG-CG 4.4Å; Q422-K426 VanDerWaalsContact O-CB 3.27Å; Q422-K426 WeakPolarHBondContact O-CB 3.47Å; Q422-K426 PolarHBondContact O-N 3.5Å; R423-K426 WeakPolarHBondContact O-CB 3.02Å; R423-K426 PolarHBondContact O-N 2.55Å; L424-K426 VanDerWaalsContact C-N 3.29Å; L424-K426 PolarHBondContact O-N 3.38Å; K426-I428 VanDerWaalsContact C-N 3.33Å; K426-I428 PolarHBondContact O-N 2.76Å; K426-L429 PolarHBondContact O-N 3.47Å; K426-Q430 WeakPolarHBondContact O-CG 3.44Å; K426-Q430 PolarHBondContact O-N 3.01Å
427	L	94.1	Very high	94.4	Very high	95 Å²	95	65.9 Å²	65.9	50%	0.497	31%	0.306	S	S	.	.	H	α-helix	trans	-62.5	-39.7	175.5	-70.7	167.9	0	0	0	111.8	R423 L424 L425 Q430 N431	R423-L427 WeakPolarHBondContact O-CG 2.87Å; R423-L427 PolarHBondContact O-N 2.93Å; R423-L427 VanDerWaalsContact O-N 3.09Å; L424-L427 WeakPolarHBondContact O-CB 3.26Å; L424-L427 PolarHBondContact O-N 3.5Å; L425-L427 PolarHBondContact O-N 2.92Å; L427-Q430 PolarHBondContact O-N 2.87Å; L427-N431 PolarHBondContact O-N 3.42Å; L427-N431 PolarHBondContact O-ND2 2.93Å
428	I	95.2	Very high	94.9	Very high	37 Å²	37	65.4 Å²	65.4	19%	0.19	30%	0.303	C	S	.	.	H	α-helix	trans	-61.2	-49.9	175	-68.2	169	0	0	0	109.7	M420 L424 L425 K426 Q430 N431 H432 I491	M420-I428 HydrophobicContact CE-CD1 4.03Å; L424-I428 WeakPolarHBondContact O-CG1 3.29Å; L424-I428 PolarHBondContact O-N 3.31Å; L425-I428 WeakPolarHBondContact O-CB 3.21Å; L425-I428 PolarHBondContact O-N 3.4Å; K426-I428 VanDerWaalsContact C-N 3.33Å; K426-I428 PolarHBondContact O-N 2.76Å; I428-Q430 VanDerWaalsContact C-N 3.32Å; I428-Q430 PolarHBondContact O-N 2.96Å; I428-N431 WeakPolarHBondContact O-CA 3.33Å; I428-N431 WeakPolarHBondContact O-CB 3.49Å; I428-N431 PolarHBondContact O-N 2.04Å; I428-H432 PolarHBondContact O-CE1 3.49Å; I428-H432 PolarHBondContact O-ND1 3.08Å; I428-I491 HydrophobicContact CG2-CG2 3.51Å
429	L	96.4	Very high	95.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-67	-30.3	-179	-65	179.7	0	0	0	113.4	F384 L387 V388 L391 L393 F413 L425 K426 N431 H432	F384-L429 HydrophobicContact CD2-CD2 3.91Å; F384-L429 HydrophobicContact CE2-CD2 3.93Å; L387-L429 HydrophobicContact CB-CD1 3.54Å; V388-L429 HydrophobicContact CG2-CD1 4.44Å; L391-L429 HydrophobicContact CD1-CD1 3.8Å; L393-L429 HydrophobicContact CD1-CB 3.57Å; F413-L429 HydrophobicContact CE1-CD2 4.33Å; L425-L429 HydrophobicContact CG-CD1 4.48Å; L425-L429 WeakPolarHBondContact O-CG 3.36Å; L425-L429 PolarHBondContact O-N 3.43Å; K426-L429 PolarHBondContact O-N 3.47Å; L429-N431 PolarHBondContact O-N 3.5Å; L429-H432 WeakPolarHBondContact O-CB 3.47Å; L429-H432 PolarHBondContact O-N 3.48Å
430	Q	96.2	Very high	95.2	Very high	46 Å²	46	56.1 Å²	56.1	22%	0.215	27%	0.269	C	S	.	.	H	α-helix	trans	-59.5	-27.9	169.8	-77.1	175.5	-30.6	0	0	112.5	L393 K426 L427 I428 H432 I452	L393-Q430 HydrophobicContact CD1-CG 4.2Å; L393-Q430 HydrophobicContact CD2-CG 3.61Å; K426-Q430 WeakPolarHBondContact O-CG 3.44Å; K426-Q430 PolarHBondContact O-N 3.01Å; L427-Q430 PolarHBondContact O-N 2.87Å; I428-Q430 VanDerWaalsContact C-N 3.32Å; I428-Q430 PolarHBondContact O-N 2.96Å; Q430-H432 PolarHBondContact O-N 2.62Å; Q430-I452 HydrophobicContact CB-CD1 4.4Å; Q430-I452 HydrophobicContact CB-CG1 4.04Å; Q430-I452 HydrophobicContact CG-CD1 4.14Å; Q430-I452 HydrophobicContact CG-CG1 4.23Å; Q430-I452 VanDerWaalsContact O-CG1 3.24Å; Q430-I452 WeakPolarHBondContact O-CG1 3.32Å
431	N	96.1	Very high	95.3	Very high	17 Å²	17	59.1 Å²	59.1	9%	0.091	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-2.1	174.4	-61.6	-37.9	0	0	0	114	L427 I428 L429 T451 K455 P494	L427-N431 PolarHBondContact O-N 3.42Å; L427-N431 PolarHBondContact O-ND2 2.93Å; I428-N431 WeakPolarHBondContact O-CA 3.33Å; I428-N431 WeakPolarHBondContact O-CB 3.49Å; I428-N431 PolarHBondContact O-N 2.04Å; L429-N431 PolarHBondContact O-N 3.5Å; N431-T451 HydrophobicContact CB-CG2 4.19Å; N431-T451 WeakPolarHBondContact O-CG2 3.06Å; N431-T451 PolarHBondContact OD1-OG1 3.14Å; N431-K455 WeakPolarHBondContact OD1-CB 3.41Å; N431-K455 WeakPolarHBondContact OD1-CG 3.33Å; N431-P494 HydrophobicContact CB-CG 4.19Å
432	H	97.9	Very high	95.4	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	8.9	175.9	-65.4	69.7	0	0	0	112	F384 L406 I428 L429 Q430 I492	F384-H432 HydrophobicContact CE2-CB 3.71Å; F384-H432 HydrophobicContact CZ-CB 4.06Å; L406-H432 HydrophobicContact CB-CB 4.43Å; L406-H432 PolarHBondContact N-O 3.19Å; L406-H432 WeakPolarHBondContact O-CB 3.34Å; L406-H432 PolarHBondContact O-CD2 2.81Å; I428-H432 PolarHBondContact O-CE1 3.49Å; I428-H432 PolarHBondContact O-ND1 3.08Å; L429-H432 WeakPolarHBondContact O-CB 3.47Å; L429-H432 PolarHBondContact O-N 3.48Å; Q430-H432 PolarHBondContact O-N 2.62Å; H432-I492 PolarHBondContact CE1-O 3.46Å; H432-I492 PolarHBondContact NE2-N 2.9Å
433	I	97.9	Very high	95.6	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	125.1	179.6	-54.4	178.3	0	0	0	108.6	V388 L393 L397 Y403 L405 T451 I452	V388-I433 HydrophobicContact CG1-CD1 4.32Å; L393-I433 HydrophobicContact CB-CD1 4.24Å; L393-I433 HydrophobicContact CD1-CD1 4.48Å; L397-I433 HydrophobicContact CD2-CD1 4.48Å; L397-I433 HydrophobicContact CD2-CG2 3.7Å; Y403-I433 HydrophobicContact CD1-CG2 4.43Å; L405-I433 HydrophobicContact CD2-CB 4.37Å; L405-I433 HydrophobicContact CD2-CD1 4.26Å; L405-I433 HydrophobicContact CD2-CG1 3.77Å; L405-I433 HydrophobicContact CD2-CG2 4.13Å; I433-T451 CarbonylContact O-C 3.58Å; I433-T451 WeakPolarHBondContact O-CA 2.96Å; I433-I452 HydrophobicContact CB-CD1 3.77Å; I433-I452 HydrophobicContact CB-CG1 3.93Å; I433-I452 HydrophobicContact CB-CG2 4.36Å; I433-I452 HydrophobicContact CD1-CD1 3.92Å; I433-I452 HydrophobicContact CG1-CD1 4.34Å; I433-I452 HydrophobicContact CG2-CD1 3.93Å; I433-I452 HydrophobicContact CG2-CG1 4.28Å; I433-I452 HydrophobicContact CG2-CG2 3.89Å; I433-I452 PolarHBondContact O-N 3.22Å
434	L	97.2	Very high	95.7	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.026	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	149.1	173.9	-48.1	-177.9	0	0	0	109.8	Y403 T404 L406 V436 L449 E450 T451 L457	Y403-L434 WeakPolarHBondContact CA-O 3.46Å; T404-L434 HydrophobicContact CG2-CD1 4.01Å; T404-L434 HydrophobicContact CG2-CG 4.5Å; T404-L434 PolarHBondContact N-O 3.08Å; T404-L434 PolarHBondContact O-N 3.35Å; L406-L434 HydrophobicContact CD1-CD1 4.48Å; L406-L434 HydrophobicContact CD1-CD2 4.19Å; L406-L434 HydrophobicContact CD1-CG 4.36Å; L406-L434 HydrophobicContact CD2-CD1 4.33Å; L406-L434 HydrophobicContact CG-CG 4.45Å; L434-V436 VanDerWaalsContact C-N 3.28Å; L434-V436 PolarHBondContact O-N 3.4Å; L434-L449 HydrophobicContact CD1-CB 4.01Å; L434-L449 HydrophobicContact CD1-CD1 3.9Å; L434-L449 HydrophobicContact CD1-CD2 4.28Å; L434-L449 HydrophobicContact CD1-CG 4.28Å; L434-L449 HydrophobicContact CD2-CB 4.09Å; L434-E450 WeakPolarHBondContact CD2-O 3.31Å; L434-T451 HydrophobicContact CD2-CG2 4.09Å; L434-L457 HydrophobicContact CD2-CD1 4.47Å
435	K	93.4	Very high	95.8	Very high	103 Å²	103	52.3 Å²	52.3	45%	0.448	26%	0.256	S	S	.	.	S	Bend	trans	-87.9	12.4	-179.5	66.8	-177.2	-177.9	-175.5	0	114.5	E402 E450 I452	E402-K435 CarbonylContact O-C 3.55Å; E402-K435 VanDerWaalsContact O-O 3.1Å; K435-E450 VanDerWaalsContact CE-CD 3.45Å; K435-E450 WeakPolarHBondContact CE-OE2 3.43Å; K435-E450 IonicContact NZ-OE1 3.98Å; K435-E450 PolarHBondContact NZ-OE1 2.02Å; K435-E450 IonicContact NZ-OE2 2.75Å; K435-E450 PolarHBondContact NZ-OE2 3.27Å; K435-I452 HydrophobicContact CB-CG2 4.27Å
436	V	95.8	Very high	95.7	Very high	76 Å²	76	53.9 Å²	53.9	46%	0.461	27%	0.274	S	S	.	.	S	Bend	trans	-140.3	144.7	-179.4	-176.2	0	0	0	0	107.5	E402 Y403 T404 L434 V438	E402-V436 PolarHBondContact O-N 3.11Å; Y403-V436 CarbonylContact C-O 3.5Å; T404-V436 PolarHBondContact N-O 3.47Å; T404-V436 PolarHBondContact OG1-O 2.73Å; L434-V436 VanDerWaalsContact C-N 3.28Å; L434-V436 PolarHBondContact O-N 3.4Å; V436-V438 HydrophobicContact CG1-CG2 4.46Å; V436-V438 PolarHBondContact O-N 2.93Å
437	K	97.3	Very high	95.7	Very high	46 Å²	46	51.5 Å²	51.5	20%	0.2	26%	0.264	C	S	.	.			trans	-75.7	117.3	168.5	176.9	177.5	176.2	176.1	0	109	E402 G480	E402-K437 HydrophobicContact CB-CB 3.9Å; E402-K437 HydrophobicContact CG-CB 4.37Å; K437-G480 PolarHBondContact NZ-O 3.02Å
438	V	97.6	Very high	95.8	Very high	13 Å²	13	51.1 Å²	51.1	8%	0.079	26%	0.262	C	S	.	.			trans	-121.6	114.3	174.8	-176.7	0	0	0	0	107.4	T404 V436 E442 L443 L449 A484 H486	T404-V438 PolarHBondContact OG1-N 2.9Å; T404-V438 PolarHBondContact OG1-O 2.97Å; V436-V438 HydrophobicContact CG1-CG2 4.46Å; V436-V438 PolarHBondContact O-N 2.93Å; V438-E442 HydrophobicContact CG1-CB 4.21Å; V438-L443 HydrophobicContact CG1-CD2 3.68Å; V438-L443 HydrophobicContact CG1-CG 4.28Å; V438-L449 HydrophobicContact CG2-CD2 4.45Å; V438-A484 WeakPolarHBondContact O-CB 3.41Å; V438-H486 PolarHBondContact O-NE2 3.07Å
439	G	95.6	Very high	95.9	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.255	C	S	.	.			trans	-76.2	161	171.6	0	0	0	0	0	112.6	N441 E442	G439-N441 PolarHBondContact O-N 3.01Å; G439-E442 WeakPolarHBondContact CA-OE1 3.41Å; G439-E442 PolarHBondContact N-OE1 3.48Å; G439-E442 WeakPolarHBondContact O-CB 3.11Å; G439-E442 PolarHBondContact O-N 2.88Å
440	L	94.2	Very high	95.9	Very high	80 Å²	80	54.3 Å²	54.3	42%	0.419	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-60.5	-35.2	178.9	174.6	58.4	0	0	0	112.4	E442 L443 M473	L440-E442 PolarHBondContact O-N 3.43Å; L440-L443 HydrophobicContact CD1-CD1 4.16Å; L440-L443 PolarHBondContact O-N 3.31Å; L440-M473 HydrophobicContact CD1-CE 3.61Å; L440-M473 HydrophobicContact CD1-SD 4.14Å
441	N	93.6	Very high	95.9	Very high	132 Å²	132	52.2 Å²	52.2	71%	0.706	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-73.2	-10.7	178.3	58.1	-32.6	0	0	0	113.9	G439	G439-N441 PolarHBondContact O-N 3.01Å
442	E	95.9	Very high	95.9	Very high	95 Å²	95	54 Å²	54	44%	0.444	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-96.1	-9.3	179	-61	168.7	-115.8	0	0	112.3	V438 G439 L440	V438-E442 HydrophobicContact CG1-CB 4.21Å; G439-E442 WeakPolarHBondContact CA-OE1 3.41Å; G439-E442 PolarHBondContact N-OE1 3.48Å; G439-E442 WeakPolarHBondContact O-CB 3.11Å; G439-E442 PolarHBondContact O-N 2.88Å; L440-E442 PolarHBondContact O-N 3.43Å
443	L	96.1	Very high	95.6	Very high	23 Å²	23	55.5 Å²	55.5	12%	0.12	29%	0.292	C	S	.	.			trans	-74.3	130.7	179.2	-66.1	176.7	0	0	0	111.3	V438 L440 L449 V459 V466 M473	V438-L443 HydrophobicContact CG1-CD2 3.68Å; V438-L443 HydrophobicContact CG1-CG 4.28Å; L440-L443 HydrophobicContact CD1-CD1 4.16Å; L440-L443 PolarHBondContact O-N 3.31Å; L443-L449 HydrophobicContact CD2-CD1 4.29Å; L443-L449 HydrophobicContact CD2-CD2 4.5Å; L443-V459 HydrophobicContact CB-CG1 4.38Å; L443-V459 HydrophobicContact CD2-CG1 4.41Å; L443-V459 HydrophobicContact CD2-CG2 4.24Å; L443-V466 HydrophobicContact CD1-CG1 3.95Å; L443-M473 HydrophobicContact CD1-CE 4.44Å; L443-M473 HydrophobicContact CD1-SD 3.74Å
444	Y	96	Very high	95.4	Very high	142 Å²	142	58 Å²	58	56%	0.557	32%	0.318	S	S	*	.			trans	-133.9	156.7	176.5	63.3	-90.3	0	0	0	112.2	G446 Q447	Y444-G446 PolarHBondContact O-N 3.29Å; Y444-Q447 HydrophobicContact CD1-CB 4.11Å; Y444-Q447 HydrophobicContact CD1-CG 4.24Å; Y444-Q447 HydrophobicContact CD2-CB 3.92Å; Y444-Q447 HydrophobicContact CE1-CB 3.89Å; Y444-Q447 HydrophobicContact CE1-CG 3.69Å; Y444-Q447 HydrophobicContact CE2-CB 3.69Å; Y444-Q447 HydrophobicContact CE2-CG 4.26Å; Y444-Q447 HydrophobicContact CG-CB 4.13Å; Y444-Q447 WeakPolarHBondContact O-CB 3.46Å; Y444-Q447 PolarHBondContact O-N 2.88Å
445	N	95.8	Very high	95.3	Very high	106 Å²	106	62 Å²	62	57%	0.567	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	131.8	-177.2	-168.1	54.2	0	0	0	111.5	Q447 V461	N445-Q447 VanDerWaalsContact C-N 3.29Å; N445-V461 HydrophobicContact CB-CB 4.06Å; N445-V461 HydrophobicContact CB-CG2 4.39Å; N445-V461 PolarHBondContact OD1-N 2.95Å
446	G	91.9	Very high	95.3	Very high	40 Å²	40	63.7 Å²	63.7	41%	0.412	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.7	5.3	-177.9	0	0	0	0	0	114.3	Y444 V459	Y444-G446 PolarHBondContact O-N 3.29Å; G446-V459 PolarHBondContact N-O 3.48Å
447	Q	96.4	Very high	95.4	Very high	23 Å²	23	60 Å²	60	11%	0.107	32%	0.322	C	S	.	.			trans	-63.8	144.2	172.1	-174.9	179.5	19.4	0	0	110.9	Y444 N445 L449 V459	Y444-Q447 HydrophobicContact CD1-CB 4.11Å; Y444-Q447 HydrophobicContact CD1-CG 4.24Å; Y444-Q447 HydrophobicContact CD2-CB 3.92Å; Y444-Q447 HydrophobicContact CE1-CB 3.89Å; Y444-Q447 HydrophobicContact CE1-CG 3.69Å; Y444-Q447 HydrophobicContact CE2-CB 3.69Å; Y444-Q447 HydrophobicContact CE2-CG 4.26Å; Y444-Q447 HydrophobicContact CG-CB 4.13Å; Y444-Q447 WeakPolarHBondContact O-CB 3.46Å; Y444-Q447 PolarHBondContact O-N 2.88Å; N445-Q447 VanDerWaalsContact C-N 3.29Å; Q447-L449 HydrophobicContact CG-CD2 4.04Å; Q447-V459 HydrophobicContact CB-CB 4Å; Q447-V459 HydrophobicContact CB-CG2 3.95Å; Q447-V459 HydrophobicContact CG-CG2 4.38Å; Q447-V459 PolarHBondContact O-N 2.82Å
448	I	96.3	Very high	95.4	Very high	87 Å²	87	58.9 Å²	58.9	45%	0.446	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.6	174.6	-53.8	-61.8	0	0	0	108.9	Q456 L457 R458	I448-Q456 HydrophobicContact CG2-CB 3.67Å; I448-Q456 HydrophobicContact CG2-CG 3.85Å; I448-L457 CarbonylContact C-O 3.53Å; I448-L457 WeakPolarHBondContact CA-O 3.32Å; I448-R458 HydrophobicContact CD1-CB 4.36Å; I448-R458 HydrophobicContact CD1-CG 3.54Å
449	L	96.6	Very high	95.4	Very high	10 Å²	10	58.2 Å²	58.2	5%	0.052	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133	179.1	-56.3	174.7	0	0	0	109.8	L434 V438 L443 Q447 Q456 L457 V459 V468	L434-L449 HydrophobicContact CD1-CB 4.01Å; L434-L449 HydrophobicContact CD1-CD1 3.9Å; L434-L449 HydrophobicContact CD1-CD2 4.28Å; L434-L449 HydrophobicContact CD1-CG 4.28Å; L434-L449 HydrophobicContact CD2-CB 4.09Å; V438-L449 HydrophobicContact CG2-CD2 4.45Å; L443-L449 HydrophobicContact CD2-CD1 4.29Å; L443-L449 HydrophobicContact CD2-CD2 4.5Å; Q447-L449 HydrophobicContact CG-CD2 4.04Å; L449-Q456 CarbonylContact O-C 3.5Å; L449-Q456 WeakPolarHBondContact O-CA 3.28Å; L449-L457 HydrophobicContact CB-CB 4.33Å; L449-L457 PolarHBondContact N-O 2.73Å; L449-L457 PolarHBondContact O-N 3.43Å; L449-V459 HydrophobicContact CD1-CG2 3.51Å; L449-V459 HydrophobicContact CD2-CG2 4.38Å; L449-V459 HydrophobicContact CG-CG2 3.7Å; L449-V468 HydrophobicContact CD1-CG1 4.44Å; L449-V468 HydrophobicContact CD1-CG2 4.42Å
450	E	96.8	Very high	95.4	Very high	95 Å²	95	58.6 Å²	58.6	44%	0.444	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	123.2	178.5	-163.9	-170.6	150.5	0	0	110.9	L434 K435 K455	L434-E450 WeakPolarHBondContact CD2-O 3.31Å; K435-E450 VanDerWaalsContact CE-CD 3.45Å; K435-E450 WeakPolarHBondContact CE-OE2 3.43Å; K435-E450 IonicContact NZ-OE1 3.98Å; K435-E450 PolarHBondContact NZ-OE1 2.02Å; K435-E450 IonicContact NZ-OE2 2.75Å; K435-E450 PolarHBondContact NZ-OE2 3.27Å; E450-K455 WeakPolarHBondContact CA-O 3.04Å
451	T	96.6	Very high	95.5	Very high	1 Å²	1	57.4 Å²	57.4	1%	0.006	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-83.6	160.1	178.6	78.1	0	0	0	0	111.4	N431 I433 L434 G453 G454 K455 L457	N431-T451 HydrophobicContact CB-CG2 4.19Å; N431-T451 WeakPolarHBondContact O-CG2 3.06Å; N431-T451 PolarHBondContact OD1-OG1 3.14Å; I433-T451 CarbonylContact O-C 3.58Å; I433-T451 WeakPolarHBondContact O-CA 2.96Å; L434-T451 HydrophobicContact CD2-CG2 4.09Å; T451-G453 PolarHBondContact O-N 2.71Å; T451-G453 PolarHBondContact OG1-N 3.41Å; T451-G454 PolarHBondContact O-N 3.19Å; T451-G454 PolarHBondContact OG1-N 2.85Å; T451-K455 HydrophobicContact CG2-CB 4.31Å; T451-K455 PolarHBondContact N-O 2.87Å; T451-K455 PolarHBondContact OG1-N 3.18Å; T451-K455 VanDerWaalsContact OG1-N 3.11Å; T451-L457 HydrophobicContact CG2-CD1 3.62Å; T451-L457 HydrophobicContact CG2-CD2 4.12Å; T451-L457 HydrophobicContact CG2-CG 3.65Å
452	I	94.6	Very high	95.6	Very high	55 Å²	55	52.7 Å²	52.7	28%	0.282	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.2	171.5	65.1	169.8	0	0	0	112.6	Q430 I433 K435 G454	Q430-I452 HydrophobicContact CB-CD1 4.4Å; Q430-I452 HydrophobicContact CB-CG1 4.04Å; Q430-I452 HydrophobicContact CG-CD1 4.14Å; Q430-I452 HydrophobicContact CG-CG1 4.23Å; Q430-I452 VanDerWaalsContact O-CG1 3.24Å; Q430-I452 WeakPolarHBondContact O-CG1 3.32Å; I433-I452 HydrophobicContact CB-CD1 3.77Å; I433-I452 HydrophobicContact CB-CG1 3.93Å; I433-I452 HydrophobicContact CB-CG2 4.36Å; I433-I452 HydrophobicContact CD1-CD1 3.92Å; I433-I452 HydrophobicContact CG1-CD1 4.34Å; I433-I452 HydrophobicContact CG2-CD1 3.93Å; I433-I452 HydrophobicContact CG2-CG1 4.28Å; I433-I452 HydrophobicContact CG2-CG2 3.89Å; I433-I452 PolarHBondContact O-N 3.22Å; K435-I452 HydrophobicContact CB-CG2 4.27Å; I452-G454 PolarHBondContact O-N 3.08Å
453	G	91.6	Very high	95.4	Very high	33 Å²	33	59.5 Å²	59.5	34%	0.34	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	0.7	171.9	0	0	0	0	0	114	T451 K455	T451-G453 PolarHBondContact O-N 2.71Å; T451-G453 PolarHBondContact OG1-N 3.41Å; G453-K455 VanDerWaalsContact C-N 3.29Å; G453-K455 PolarHBondContact O-N 3.05Å
454	G	93.6	Very high	95.2	Very high	54 Å²	54	62.4 Å²	62.4	56%	0.557	32%	0.323	S	S	*	.	S	Bend	trans	74.1	16.3	-178.8	0	0	0	0	0	114.1	T451 I452	T451-G454 PolarHBondContact O-N 3.19Å; T451-G454 PolarHBondContact OG1-N 2.85Å; I452-G454 PolarHBondContact O-N 3.08Å
455	K	94.8	Very high	95.2	Very high	87 Å²	87	56.7 Å²	56.7	38%	0.378	31%	0.305	S	S	.	.			trans	-90.9	153.8	174.2	-62.6	-66.2	-173.2	166.5	0	110.3	N431 E450 T451 G453	N431-K455 WeakPolarHBondContact OD1-CB 3.41Å; N431-K455 WeakPolarHBondContact OD1-CG 3.33Å; E450-K455 WeakPolarHBondContact CA-O 3.04Å; T451-K455 HydrophobicContact CG2-CB 4.31Å; T451-K455 PolarHBondContact N-O 2.87Å; T451-K455 PolarHBondContact OG1-N 3.18Å; T451-K455 VanDerWaalsContact OG1-N 3.11Å; G453-K455 VanDerWaalsContact C-N 3.29Å; G453-K455 PolarHBondContact O-N 3.05Å
456	Q	95	Very high	95.3	Very high	139 Å²	139	53 Å²	53	65%	0.65	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	131.1	173.5	-71.5	-178.4	-8.8	0	0	109.1	I448 L449	I448-Q456 HydrophobicContact CG2-CB 3.67Å; I448-Q456 HydrophobicContact CG2-CG 3.85Å; L449-Q456 CarbonylContact O-C 3.5Å; L449-Q456 WeakPolarHBondContact O-CA 3.28Å
457	L	96.9	Very high	95.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	132.4	176.7	-49.7	178.4	0	0	0	109.5	L406 L434 I448 L449 T451 V468 E469 I492 P494	L406-L457 HydrophobicContact CD1-CD1 3.6Å; L434-L457 HydrophobicContact CD2-CD1 4.47Å; I448-L457 CarbonylContact C-O 3.53Å; I448-L457 WeakPolarHBondContact CA-O 3.32Å; L449-L457 HydrophobicContact CB-CB 4.33Å; L449-L457 PolarHBondContact N-O 2.73Å; L449-L457 PolarHBondContact O-N 3.43Å; T451-L457 HydrophobicContact CG2-CD1 3.62Å; T451-L457 HydrophobicContact CG2-CD2 4.12Å; T451-L457 HydrophobicContact CG2-CG 3.65Å; L457-V468 HydrophobicContact CB-CG1 3.63Å; L457-V468 HydrophobicContact CD1-CG1 3.85Å; L457-V468 HydrophobicContact CG-CG1 4.35Å; L457-E469 HydrophobicContact CB-CG 4.17Å; L457-E469 HydrophobicContact CD2-CG 3.96Å; L457-I492 HydrophobicContact CD1-CG2 4.23Å; L457-I492 HydrophobicContact CD2-CG2 3.97Å; L457-P494 HydrophobicContact CD2-CB 4.07Å; L457-P494 HydrophobicContact CD2-CG 3.68Å
458	R	96.6	Very high	95.6	Very high	21 Å²	21	50 Å²	50	8%	0.079	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	138.6	176.5	-65.1	164.8	-64.6	173.2	2.3	111	I448 F460 V468 E469 T616 T617	I448-R458 HydrophobicContact CD1-CB 4.36Å; I448-R458 HydrophobicContact CD1-CG 3.54Å; R458-F460 HydrophobicContact CB-CE1 3.75Å; R458-F460 HydrophobicContact CB-CE2 4.31Å; R458-F460 HydrophobicContact CB-CZ 3.55Å; R458-V468 WeakPolarHBondContact O-CA 3.14Å; R458-E469 WeakPolarHBondContact CB-OE1 3.42Å; R458-E469 IonicContact CZ-OE1 3.86Å; R458-E469 IonicContact CZ-OE2 2.83Å; R458-E469 PolarHBondContact N-OE1 2.93Å; R458-E469 IonicContact NE-OE1 3.66Å; R458-E469 PolarHBondContact NE-OE1 2.77Å; R458-E469 IonicContact NE-OE2 3.95Å; R458-E469 IonicContact NH2-OE1 3.86Å; R458-E469 IonicContact NH2-OE2 2.83Å; R458-E469 PolarHBondContact NH2-OE2 3.32Å; R458-E469 PolarHBondContact O-N 2.89Å; R458-T616 VanDerWaalsContact CZ-O 3.25Å; R458-T616 PolarHBondContact NH1-O 2.92Å; R458-T616 PolarHBondContact NH2-O 2.78Å; R458-T617 PolarHBondContact NH1-O 2.88Å
459	V	97.8	Very high	95.6	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	126.3	174.6	-175.7	0	0	0	0	109.8	L443 G446 Q447 L449 V461 V466 V468	L443-V459 HydrophobicContact CB-CG1 4.38Å; L443-V459 HydrophobicContact CD2-CG1 4.41Å; L443-V459 HydrophobicContact CD2-CG2 4.24Å; G446-V459 PolarHBondContact N-O 3.48Å; Q447-V459 HydrophobicContact CB-CB 4Å; Q447-V459 HydrophobicContact CB-CG2 3.95Å; Q447-V459 HydrophobicContact CG-CG2 4.38Å; Q447-V459 PolarHBondContact O-N 2.82Å; L449-V459 HydrophobicContact CD1-CG2 3.51Å; L449-V459 HydrophobicContact CD2-CG2 4.38Å; L449-V459 HydrophobicContact CG-CG2 3.7Å; V459-V461 HydrophobicContact CG1-CG2 4.04Å; V459-V466 HydrophobicContact CG1-CG1 4.16Å; V459-V468 HydrophobicContact CG2-CG2 4.37Å
460	F	96.7	Very high	95.5	Very high	7 Å²	7	46.4 Å²	46.4	3%	0.031	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	117.1	174.9	-47	-58.6	0	0	0	108.9	R458 Y462 C467 E469 V571 M615	R458-F460 HydrophobicContact CB-CE1 3.75Å; R458-F460 HydrophobicContact CB-CE2 4.31Å; R458-F460 HydrophobicContact CB-CZ 3.55Å; F460-Y462 HydrophobicContact CB-CE2 3.78Å; F460-C467 PolarHBondContact N-O 2.98Å; F460-C467 PolarHBondContact O-N 3.37Å; F460-E469 WeakPolarHBondContact CE2-O 3.35Å; F460-V571 HydrophobicContact CD1-CB 3.99Å; F460-V571 HydrophobicContact CD1-CG1 4.33Å; F460-V571 HydrophobicContact CE1-CB 3.62Å; F460-V571 HydrophobicContact CE1-CG1 3.86Å; F460-V571 HydrophobicContact CE1-CG2 3.9Å; F460-V571 HydrophobicContact CE2-CG1 4.09Å; F460-V571 HydrophobicContact CZ-CB 4.03Å; F460-V571 HydrophobicContact CZ-CG1 3.72Å; F460-V571 HydrophobicContact CZ-CG2 4.29Å; F460-M615 HydrophobicContact CE2-CE 3.67Å; F460-M615 HydrophobicContact CZ-CE 3.96Å
461	V	96.6	Very high	95.5	Very high	55 Å²	55	41.9 Å²	41.9	33%	0.333	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113.3	178.4	-178.9	0	0	0	0	108.8	N445 V459 V466	N445-V461 HydrophobicContact CB-CB 4.06Å; N445-V461 HydrophobicContact CB-CG2 4.39Å; N445-V461 PolarHBondContact OD1-N 2.95Å; V459-V461 HydrophobicContact CG1-CG2 4.04Å; V461-V466 HydrophobicContact CG1-CG2 4.35Å; V461-V466 HydrophobicContact CG2-CG1 4.31Å; V461-V466 HydrophobicContact CG2-CG2 4.47Å
462	Y	95	Very high	95.5	Very high	33 Å²	33	42.5 Å²	42.5	13%	0.129	23%	0.227	C	C	.	.			trans	-99.5	177.4	174.5	-56.2	-70.9	0	0	0	110.5	F460 T464 A465 C467 V571 F572 I573 G576	F460-Y462 HydrophobicContact CB-CE2 3.78Å; Y462-T464 VanDerWaalsContact C-N 3.27Å; Y462-T464 PolarHBondContact O-N 3.44Å; Y462-A465 WeakPolarHBondContact CA-O 3.34Å; Y462-A465 WeakPolarHBondContact CB-O 3.42Å; Y462-A465 HydrophobicContact CD2-CB 4.36Å; Y462-A465 PolarHBondContact N-O 2.93Å; Y462-C467 HydrophobicContact CE2-CB 4.27Å; Y462-V571 PolarHBondContact OH-O 2.95Å; Y462-F572 HydrophobicContact CE1-CD1 4.05Å; Y462-I573 HydrophobicContact CE2-CD1 4.34Å; Y462-I573 HydrophobicContact CE2-CG1 3.97Å; Y462-I573 PolarHBondContact OH-N 3.49Å; Y462-G576 WeakPolarHBondContact CB-O 3.3Å; Y462-G576 VanDerWaalsContact CD2-CA 3.5Å
463	R	92	Very high	95.6	Very high	238 Å²	238	41.3 Å²	41.3	90%	0.898	22%	0.22	S	C	*	.	S	Bend	trans	-59.7	-37.9	179.5	-177.3	-178.2	-69.8	-89.3	-1.3	112.7
464	T	92.5	Very high	95.8	Very high	84 Å²	84	43.5 Å²	43.5	52%	0.515	22%	0.222	S	C	.	.	S	Bend	trans	-127.4	-0	-171	54.1	0	0	0	0	113.5	Y462	Y462-T464 VanDerWaalsContact C-N 3.27Å; Y462-T464 PolarHBondContact O-N 3.44Å
465	A	95.4	Very high	95.8	Very high	22 Å²	22	52.6 Å²	52.6	18%	0.182	24%	0.239	C	C	.	.			trans	-143.5	148.9	-176.4	0	0	0	0	0	111.2	Y462	Y462-A465 WeakPolarHBondContact CA-O 3.34Å; Y462-A465 WeakPolarHBondContact CB-O 3.42Å; Y462-A465 HydrophobicContact CD2-CB 4.36Å; Y462-A465 PolarHBondContact N-O 2.93Å
466	V	97.5	Very high	95.7	Very high	29 Å²	29	50.3 Å²	50.3	18%	0.176	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	126.9	167.9	-179.6	0	0	0	0	106.9	L443 V459 V461 M473	L443-V466 HydrophobicContact CD1-CG1 3.95Å; V459-V466 HydrophobicContact CG1-CG1 4.16Å; V461-V466 HydrophobicContact CG1-CG2 4.35Å; V461-V466 HydrophobicContact CG2-CG1 4.31Å; V461-V466 HydrophobicContact CG2-CG2 4.47Å; V466-M473 HydrophobicContact CB-CG 4.46Å; V466-M473 HydrophobicContact CB-SD 3.91Å; V466-M473 HydrophobicContact CG1-SD 3.7Å; V466-M473 WeakPolarHBondContact O-CB 3.46Å; V466-M473 WeakPolarHBondContact O-CG 3.34Å; V466-M473 PolarHBondContact O-N 3.15Å
467	C	97.5	Very high	95.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	144.8	-177.6	-48.5	0	0	0	0	110.5	F460 Y462 S471 C472 I573	F460-C467 PolarHBondContact N-O 2.98Å; F460-C467 PolarHBondContact O-N 3.37Å; Y462-C467 HydrophobicContact CE2-CB 4.27Å; C467-S471 CarbonylContact C-O 3.53Å; C467-S471 WeakPolarHBondContact CA-O 3.46Å; C467-C472 HydrophobicContact CB-CB 4Å; C467-C472 WeakPolarHBondContact CB-SG 3.45Å; C467-C472 WeakPolarHBondContact SG-CB 3.46Å; C467-C472 CovalentContact SG-SG 2.05Å; C467-C472 PolarHBondContact SG-SG 2.81Å; C467-I573 HydrophobicContact CB-CD1 3.65Å
468	V	97.6	Very high	95.8	Very high	1 Å²	1	48.8 Å²	48.8	1%	0.006	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	114.2	175.5	-178.9	0	0	0	0	106.9	L406 L449 L457 R458 V459 N470 S471 F488 I492	L406-V468 HydrophobicContact CD1-CG1 4.41Å; L449-V468 HydrophobicContact CD1-CG1 4.44Å; L449-V468 HydrophobicContact CD1-CG2 4.42Å; L457-V468 HydrophobicContact CB-CG1 3.63Å; L457-V468 HydrophobicContact CD1-CG1 3.85Å; L457-V468 HydrophobicContact CG-CG1 4.35Å; R458-V468 WeakPolarHBondContact O-CA 3.14Å; V459-V468 HydrophobicContact CG2-CG2 4.37Å; V468-N470 PolarHBondContact O-N 3.49Å; V468-S471 PolarHBondContact N-O 2.83Å; V468-S471 PolarHBondContact O-N 3.43Å; V468-S471 VanDerWaalsContact O-N 3.15Å; V468-F488 HydrophobicContact CB-CE1 3.79Å; V468-F488 HydrophobicContact CB-CZ 3.96Å; V468-F488 HydrophobicContact CG2-CE1 3.84Å; V468-F488 HydrophobicContact CG2-CZ 3.64Å; V468-I492 HydrophobicContact CB-CD1 4.38Å; V468-I492 HydrophobicContact CG1-CD1 4.29Å
469	E	95.9	Very high	95.8	Very high	3 Å²	3	52 Å²	52	1%	0.014	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	-122.1	-167.8	-66.4	-64.4	147.4	0	0	112	L457 R458 F460 I492	L457-E469 HydrophobicContact CB-CG 4.17Å; L457-E469 HydrophobicContact CD2-CG 3.96Å; R458-E469 WeakPolarHBondContact CB-OE1 3.42Å; R458-E469 IonicContact CZ-OE1 3.86Å; R458-E469 IonicContact CZ-OE2 2.83Å; R458-E469 PolarHBondContact N-OE1 2.93Å; R458-E469 IonicContact NE-OE1 3.66Å; R458-E469 PolarHBondContact NE-OE1 2.77Å; R458-E469 IonicContact NE-OE2 3.95Å; R458-E469 IonicContact NH2-OE1 3.86Å; R458-E469 IonicContact NH2-OE2 2.83Å; R458-E469 PolarHBondContact NH2-OE2 3.32Å; R458-E469 PolarHBondContact O-N 2.89Å; F460-E469 WeakPolarHBondContact CE2-O 3.35Å; E469-I492 HydrophobicContact CB-CG2 4.19Å; E469-I492 HydrophobicContact CG-CG2 4.45Å
470	N	95.1	Very high	95.7	Very high	17 Å²	17	52.1 Å²	52.1	9%	0.091	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.3	-177.4	70.1	-70.8	0	0	0	114.3	V468 I491 K493 M615	V468-N470 PolarHBondContact O-N 3.49Å; N470-I491 PolarHBondContact ND2-O 2.75Å; N470-I491 VanDerWaalsContact ND2-O 3.17Å; N470-K493 PolarHBondContact OD1-N 3.34Å; N470-M615 HydrophobicContact CB-CG 3.77Å
471	S	96.4	Very high	95.7	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136	-169.6	-167.6	0	0	0	0	110.7	C467 V468 E490	C467-S471 CarbonylContact C-O 3.53Å; C467-S471 WeakPolarHBondContact CA-O 3.46Å; V468-S471 PolarHBondContact N-O 2.83Å; V468-S471 PolarHBondContact O-N 3.43Å; V468-S471 VanDerWaalsContact O-N 3.15Å; S471-E490 WeakPolarHBondContact CB-O 3.47Å; S471-E490 WeakPolarHBondContact OG-CA 3.4Å; S471-E490 PolarHBondContact OG-N 3Å; S471-E490 VanDerWaalsContact OG-N 3.07Å; S471-E490 PolarHBondContact OG-O 2.98Å
472	C	96.6	Very high	95.6	Very high	15 Å²	15	53.4 Å²	53.4	10%	0.101	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	147.8	179.4	-61.3	0	0	0	0	111.7	C467 R489	C467-C472 HydrophobicContact CB-CB 4Å; C467-C472 WeakPolarHBondContact CB-SG 3.45Å; C467-C472 WeakPolarHBondContact SG-CB 3.46Å; C467-C472 CovalentContact SG-SG 2.05Å; C467-C472 PolarHBondContact SG-SG 2.81Å; C472-R489 PolarHBondContact O-N 3.46Å; C472-R489 VanDerWaalsContact O-N 3.11Å
473	M	97.1	Very high	95.7	Very high	30 Å²	30	51.8 Å²	51.8	15%	0.148	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	142.6	179.6	-66.4	-178.8	61.1	0	0	111.4	L440 L443 V466 S477 H486 I487 F488	L440-M473 HydrophobicContact CD1-CE 3.61Å; L440-M473 HydrophobicContact CD1-SD 4.14Å; L443-M473 HydrophobicContact CD1-CE 4.44Å; L443-M473 HydrophobicContact CD1-SD 3.74Å; V466-M473 HydrophobicContact CB-CG 4.46Å; V466-M473 HydrophobicContact CB-SD 3.91Å; V466-M473 HydrophobicContact CG1-SD 3.7Å; V466-M473 WeakPolarHBondContact O-CB 3.46Å; V466-M473 WeakPolarHBondContact O-CG 3.34Å; V466-M473 PolarHBondContact O-N 3.15Å; M473-S477 WeakPolarHBondContact CE-OG 3.45Å; M473-H486 HydrophobicContact CE-CB 3.66Å; M473-H486 WeakPolarHBondContact CE-ND1 3.08Å; M473-I487 CarbonylContact C-O 3.4Å; M473-I487 VanDerWaalsContact CA-O 3.28Å; M473-I487 WeakPolarHBondContact CA-O 3.39Å; M473-F488 HydrophobicContact CG-CD1 4.2Å; M473-F488 HydrophobicContact CG-CE1 3.51Å; M473-F488 HydrophobicContact CG-CE2 4.04Å; M473-F488 HydrophobicContact CG-CZ 3.42Å; M473-F488 VanDerWaalsContact CG-CZ 3.42Å; M473-F488 HydrophobicContact SD-CZ 4.19Å
474	E	95.4	Very high	96	Very high	78 Å²	78	40.5 Å²	40.5	36%	0.364	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	165	167.5	-61.8	-165.5	162.9	0	0	110.9	I487 R489	E474-I487 HydrophobicContact CB-CB 4.37Å; E474-I487 HydrophobicContact CB-CG2 4.07Å; E474-I487 PolarHBondContact N-O 2.92Å; E474-R489 HydrophobicContact CG-CB 4.36Å; E474-R489 IonicContact OE1-NE 2.73Å
475	R	93.4	Very high	96.2	Very high	246 Å²	246	36.6 Å²	36.6	93%	0.928	18%	0.179	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-63.9	149.1	173.9	-65.9	-175	-179.7	-166.7	0.3	110.3
476	G	93.3	Very high	96.4	Very high	39 Å²	39	35.7 Å²	35.7	40%	0.402	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	109.3	24.8	178.6	0	0	0	0	0	114.2	I487	G476-I487 VanDerWaalsContact O-CD1 3.28Å; G476-I487 WeakPolarHBondContact O-CD1 3.42Å
477	S	96.6	Very high	96.4	Very high	36 Å²	36	35.2 Å²	35.2	25%	0.252	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	139	164.4	-67.7	0	0	0	0	110.3	M473 I485 H486	M473-S477 WeakPolarHBondContact CE-OG 3.45Å; S477-I485 VanDerWaalsContact CA-O 3.22Å; S477-I485 WeakPolarHBondContact CA-O 3.38Å; S477-H486 WeakPolarHBondContact CB-ND1 3.34Å; S477-H486 PolarHBondContact OG-ND1 3.49Å
478	K	96.7	Very high	96.4	Very high	71 Å²	71	35.2 Å²	35.2	31%	0.309	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	150.6	178.8	-62.3	169.6	173.2	-169.4	0	110.2	D368 L376 A484 I485	D368-K478 WeakPolarHBondContact OD2-CD 3.5Å; L376-K478 HydrophobicContact CB-CB 4.48Å; L376-K478 HydrophobicContact CB-CD 4.47Å; L376-K478 HydrophobicContact CD2-CB 4.48Å; L376-K478 VanDerWaalsContact O-CD 3.28Å; L376-K478 WeakPolarHBondContact O-CD 3.32Å; L376-K478 PolarHBondContact O-NZ 3.45Å; K478-A484 WeakPolarHBondContact O-CA 3.32Å; K478-I485 HydrophobicContact CB-CG2 3.8Å; K478-I485 HydrophobicContact CD-CG2 4.44Å; K478-I485 HydrophobicContact CG-CG2 4.48Å; K478-I485 PolarHBondContact N-O 3.45Å; K478-I485 PolarHBondContact O-N 3.15Å
479	Q	96.6	Very high	96.3	Very high	88 Å²	88	41.3 Å²	41.3	41%	0.411	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.5	172.5	-61.1	-166.2	21.4	0	0	109.3	D368 A484	D368-Q479 CarbonylContact C-O 3.58Å; Q479-A484 HydrophobicContact CG-CB 4.37Å
480	G	96.1	Very high	96.3	Very high	3 Å²	3	43.9 Å²	43.9	3%	0.031	20%	0.202	C	C	.	.			trans	-123.2	-166.1	173.8	0	0	0	0	0	112.7	D368 K437 N482 G483	D368-G480 WeakPolarHBondContact O-CA 3.47Å; K437-G480 PolarHBondContact NZ-O 3.02Å; G480-N482 PolarHBondContact O-N 3.49Å; G480-G483 PolarHBondContact N-O 2.91Å
481	R	95.7	Very high	96.4	Very high	82 Å²	82	43.6 Å²	43.6	31%	0.309	20%	0.201	S	C	.	.	S	Bend	trans	-61.6	-47.9	-169.1	-174.2	62.4	-153.9	131.1	4.5	112.2	D293 V295 S369 K371	D293-R481 IonicContact OD1-NE 4Å; D293-R481 IonicContact OD1-NH2 2.66Å; D293-R481 WeakPolarHBondContact OD2-CD 3.32Å; D293-R481 IonicContact OD2-CZ 3.53Å; D293-R481 IonicContact OD2-NE 2.8Å; D293-R481 PolarHBondContact OD2-NE 3.06Å; D293-R481 IonicContact OD2-NH2 2.71Å; V295-R481 VanDerWaalsContact CG1-NH1 3.33Å; S369-R481 VanDerWaalsContact O-CA 3.31Å; S369-R481 WeakPolarHBondContact O-CA 3.4Å; S369-R481 VanDerWaalsContact O-CB 3.29Å; S369-R481 WeakPolarHBondContact O-CB 3.42Å; S369-R481 WeakPolarHBondContact O-CD 3.44Å; S369-R481 PolarHBondContact O-N 2.9Å; K371-R481 WeakPolarHBondContact O-CB 3.25Å; K371-R481 PolarHBondContact O-N 2.72Å
482	N	95.3	Very high	96.4	Very high	6 Å²	6	43.7 Å²	43.7	3%	0.032	20%	0.202	C	C	.	.	S	Bend	trans	-120.3	19.2	-174.6	79.1	-40.3	0	0	0	112.8	Q372 V373 R398 G401 E402 Y403 G480	Q372-N482 WeakPolarHBondContact CA-OD1 3.4Å; Q372-N482 PolarHBondContact OE1-ND2 3.04Å; Q372-N482 PolarHBondContact OE1-OD1 2.89Å; V373-N482 PolarHBondContact N-OD1 3.03Å; R398-N482 PolarHBondContact O-ND2 3.08Å; R398-N482 VanDerWaalsContact O-ND2 3.13Å; G401-N482 WeakPolarHBondContact O-CB 3.41Å; G401-N482 PolarHBondContact O-ND2 3.4Å; E402-N482 VanDerWaalsContact CA-O 3.27Å; E402-N482 WeakPolarHBondContact CA-O 3.21Å; Y403-N482 PolarHBondContact N-O 2.85Å; G480-N482 PolarHBondContact O-N 3.49Å
483	G	96.8	Very high	96.2	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	177.8	-177.2	178.4	0	0	0	0	0	116.1	Y403 G480	Y403-G483 CarbonylContact O-C 3.58Å; Y403-G483 WeakPolarHBondContact O-CA 3.43Å; G480-G483 PolarHBondContact N-O 2.91Å
484	A	98	Very high	96	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	154	173.5	0	0	0	0	0	110.8	V373 Y403 T404 L405 V438 K478 Q479	V373-A484 WeakPolarHBondContact CG2-O 3.21Å; Y403-A484 PolarHBondContact O-N 3.05Å; T404-A484 CarbonylContact C-O 3.56Å; T404-A484 VanDerWaalsContact CA-O 3.27Å; T404-A484 WeakPolarHBondContact CA-O 3.33Å; L405-A484 PolarHBondContact N-O 2.99Å; V438-A484 WeakPolarHBondContact O-CB 3.41Å; K478-A484 WeakPolarHBondContact O-CA 3.32Å; Q479-A484 HydrophobicContact CG-CB 4.37Å
485	I	98.3	Very high	96	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	134.5	170.1	-174.2	170.3	0	0	0	109.2	L376 A377 L405 A407 S477 K478	L376-I485 HydrophobicContact CB-CB 4.35Å; L376-I485 HydrophobicContact CB-CG2 3.52Å; L376-I485 HydrophobicContact CD1-CG2 4.06Å; L376-I485 HydrophobicContact CG-CG2 4.45Å; A377-I485 HydrophobicContact CB-CD1 3.92Å; L405-I485 HydrophobicContact CB-CB 4.32Å; L405-I485 HydrophobicContact CB-CD1 4.48Å; L405-I485 HydrophobicContact CB-CG1 4.03Å; L405-I485 WeakPolarHBondContact O-CA 3.32Å; A407-I485 HydrophobicContact CB-CD1 3.73Å; A407-I485 HydrophobicContact CB-CG1 3.87Å; S477-I485 VanDerWaalsContact CA-O 3.22Å; S477-I485 WeakPolarHBondContact CA-O 3.38Å; K478-I485 HydrophobicContact CB-CG2 3.8Å; K478-I485 HydrophobicContact CD-CG2 4.44Å; K478-I485 HydrophobicContact CG-CG2 4.48Å; K478-I485 PolarHBondContact N-O 3.45Å; K478-I485 PolarHBondContact O-N 3.15Å
486	H	98.2	Very high	96	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.019	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	131.3	175.7	-66.8	-41.1	0	0	0	108.4	T404 L405 L406 A407 V438 M473 S477 F488	T404-H486 VanDerWaalsContact CG2-CD2 3.47Å; T404-H486 WeakPolarHBondContact CG2-CD2 3.46Å; L405-H486 PolarHBondContact O-N 2.95Å; L406-H486 CarbonylContact C-O 3.57Å; L406-H486 HydrophobicContact CD2-CB 4.31Å; A407-H486 PolarHBondContact N-O 2.87Å; V438-H486 PolarHBondContact O-NE2 3.07Å; M473-H486 HydrophobicContact CE-CB 3.66Å; M473-H486 WeakPolarHBondContact CE-ND1 3.08Å; S477-H486 WeakPolarHBondContact CB-ND1 3.34Å; S477-H486 PolarHBondContact OG-ND1 3.49Å; H486-F488 HydrophobicContact CB-CD2 4.28Å; H486-F488 HydrophobicContact CB-CE2 3.61Å; H486-F488 HydrophobicContact CB-CZ 4.45Å; H486-F488 WeakPolarHBondContact O-CD2 3.24Å
487	I	98.1	Very high	96.1	Very high	18 Å²	18	44.3 Å²	44.3	9%	0.092	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	132.7	-177.7	-57.5	172.2	0	0	0	108.3	A407 V409 M473 E474 G476	A407-I487 CarbonylContact O-C 3.51Å; A407-I487 WeakPolarHBondContact O-CA 3.5Å; V409-I487 HydrophobicContact CG1-CG2 3.59Å; M473-I487 CarbonylContact C-O 3.4Å; M473-I487 VanDerWaalsContact CA-O 3.28Å; M473-I487 WeakPolarHBondContact CA-O 3.39Å; E474-I487 HydrophobicContact CB-CB 4.37Å; E474-I487 HydrophobicContact CB-CG2 4.07Å; E474-I487 PolarHBondContact N-O 2.92Å; G476-I487 VanDerWaalsContact O-CD1 3.28Å; G476-I487 WeakPolarHBondContact O-CD1 3.42Å
488	F	97.5	Very high	96.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	145.5	-178.7	-78.9	-91.8	0	0	0	112	L406 A407 P408 V409 V468 M473 H486 I492	L406-F488 HydrophobicContact CB-CD2 3.9Å; L406-F488 HydrophobicContact CB-CE2 3.63Å; L406-F488 HydrophobicContact CB-CZ 4.43Å; L406-F488 HydrophobicContact CD2-CE2 3.6Å; L406-F488 HydrophobicContact CD2-CZ 4.01Å; L406-F488 HydrophobicContact CG-CE2 4.14Å; A407-F488 PolarHBondContact O-N 3.41Å; P408-F488 CarbonylContact C-O 3.49Å; P408-F488 VanDerWaalsContact CA-O 3.24Å; P408-F488 WeakPolarHBondContact CA-O 3.45Å; V409-F488 PolarHBondContact N-O 3.37Å; V468-F488 HydrophobicContact CB-CE1 3.79Å; V468-F488 HydrophobicContact CB-CZ 3.96Å; V468-F488 HydrophobicContact CG2-CE1 3.84Å; V468-F488 HydrophobicContact CG2-CZ 3.64Å; M473-F488 HydrophobicContact CG-CD1 4.2Å; M473-F488 HydrophobicContact CG-CE1 3.51Å; M473-F488 HydrophobicContact CG-CE2 4.04Å; M473-F488 HydrophobicContact CG-CZ 3.42Å; M473-F488 VanDerWaalsContact CG-CZ 3.42Å; M473-F488 HydrophobicContact SD-CZ 4.19Å; H486-F488 HydrophobicContact CB-CD2 4.28Å; H486-F488 HydrophobicContact CB-CE2 3.61Å; H486-F488 HydrophobicContact CB-CZ 4.45Å; H486-F488 WeakPolarHBondContact O-CD2 3.24Å; F488-I492 HydrophobicContact CD1-CD1 4.29Å; F488-I492 HydrophobicContact CE1-CD1 4.24Å; F488-I492 HydrophobicContact CE2-CD1 4.47Å; F488-I492 HydrophobicContact CG-CD1 4.41Å; F488-I492 HydrophobicContact CZ-CD1 4.33Å
489	R	95.3	Very high	96.1	Very high	130 Å²	130	39.5 Å²	39.5	49%	0.491	18%	0.181	S	C	.	.	S	Bend	trans	-71.7	-33.9	179.8	-165	176.8	-140.8	-160.1	-2	113	A412 C472 E474	A412-R489 WeakPolarHBondContact CB-O 3.33Å; C472-R489 PolarHBondContact O-N 3.46Å; C472-R489 VanDerWaalsContact O-N 3.11Å; E474-R489 HydrophobicContact CG-CB 4.36Å; E474-R489 IonicContact OE1-NE 2.73Å
490	E	95.4	Very high	96	Very high	56 Å²	56	36.3 Å²	36.3	26%	0.262	17%	0.166	S	C	.	.	S	Bend	trans	-132.7	161.1	-174.2	-71.5	170.5	-142.3	0	0	111.7	S471 I492 K575	S471-E490 WeakPolarHBondContact CB-O 3.47Å; S471-E490 WeakPolarHBondContact OG-CA 3.4Å; S471-E490 PolarHBondContact OG-N 3Å; S471-E490 VanDerWaalsContact OG-N 3.07Å; S471-E490 PolarHBondContact OG-O 2.98Å; E490-I492 PolarHBondContact O-N 3.4Å; E490-K575 WeakPolarHBondContact OE1-CD 3.43Å; E490-K575 VanDerWaalsContact OE1-CE 3.28Å; E490-K575 WeakPolarHBondContact OE1-CE 3.35Å; E490-K575 IonicContact OE1-NZ 2.79Å; E490-K575 PolarHBondContact OE1-NZ 2.8Å; E490-K575 IonicContact OE2-NZ 3.38Å; E490-K575 PolarHBondContact OE2-NZ 2.92Å
491	I	96.8	Very high	96	Very high	12 Å²	12	40.9 Å²	40.9	6%	0.062	19%	0.187	C	C	.	.			trans	-65.6	128.5	169	-61.7	176.1	0	0	0	108.9	P408 A412 F413 T417 I428 N470 K493	P408-I491 HydrophobicContact CB-CG1 4.41Å; P408-I491 HydrophobicContact CG-CG1 4.26Å; A412-I491 HydrophobicContact CB-CG1 4.27Å; F413-I491 HydrophobicContact CD1-CD1 3.76Å; F413-I491 HydrophobicContact CD1-CG1 4.46Å; F413-I491 HydrophobicContact CE1-CD1 3.85Å; F413-I491 HydrophobicContact CE1-CG1 4.22Å; F413-I491 HydrophobicContact CG-CD1 4.43Å; T417-I491 HydrophobicContact CG2-CD1 3.65Å; I428-I491 HydrophobicContact CG2-CG2 3.51Å; N470-I491 PolarHBondContact ND2-O 2.75Å; N470-I491 VanDerWaalsContact ND2-O 3.17Å; I491-K493 PolarHBondContact O-N 3.45Å
492	I	96.3	Very high	96.1	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.01	19%	0.187	C	C	.	.			trans	-70.6	125.7	176.3	-63.9	172.3	0	0	0	109	L406 H432 L457 V468 E469 F488 E490	L406-I492 HydrophobicContact CB-CD1 3.72Å; L406-I492 HydrophobicContact CD1-CD1 3.59Å; L406-I492 HydrophobicContact CG-CD1 4.28Å; H432-I492 PolarHBondContact CE1-O 3.46Å; H432-I492 PolarHBondContact NE2-N 2.9Å; L457-I492 HydrophobicContact CD1-CG2 4.23Å; L457-I492 HydrophobicContact CD2-CG2 3.97Å; V468-I492 HydrophobicContact CB-CD1 4.38Å; V468-I492 HydrophobicContact CG1-CD1 4.29Å; E469-I492 HydrophobicContact CB-CG2 4.19Å; E469-I492 HydrophobicContact CG-CG2 4.45Å; F488-I492 HydrophobicContact CD1-CD1 4.29Å; F488-I492 HydrophobicContact CE1-CD1 4.24Å; F488-I492 HydrophobicContact CE2-CD1 4.47Å; F488-I492 HydrophobicContact CG-CD1 4.41Å; F488-I492 HydrophobicContact CZ-CD1 4.33Å; E490-I492 PolarHBondContact O-N 3.4Å
493	K	92.9	Very high	96.1	Very high	144 Å²	144	40.2 Å²	40.2	63%	0.626	19%	0.186	S	C	*	.			trans	-121.8	95.5	179.7	-66.6	176.5	-175.5	175.1	0	108	N470 I491 A495	N470-K493 PolarHBondContact OD1-N 3.34Å; I491-K493 PolarHBondContact O-N 3.45Å; K493-A495 PolarHBondContact O-N 2.88Å
494	P	94	Very high	96.1	Very high	29 Å²	29	47.5 Å²	47.5	19%	0.188	22%	0.218	C	C	.	.			trans	-58.4	135.1	178.2	-19.6	30.6	0	0	0	110.4	N431 L457	N431-P494 HydrophobicContact CB-CG 4.19Å; L457-P494 HydrophobicContact CD2-CB 4.07Å; L457-P494 HydrophobicContact CD2-CG 3.68Å
495	A	94.6	Very high	96	Very high	24 Å²	24	53 Å²	53	20%	0.198	24%	0.243	C	C	.	.			trans	-68.7	136.7	176.8	0	0	0	0	0	111.3	K493 M615 T616 T617	K493-A495 PolarHBondContact O-N 2.88Å; A495-M615 HydrophobicContact CB-CB 4.14Å; A495-T616 WeakPolarHBondContact CB-O 3.07Å; A495-T617 HydrophobicContact CB-CG2 4.44Å; A495-T617 WeakPolarHBondContact O-CG2 3.5Å
496	E	93.1	Very high	95.8	Very high	147 Å²	147	55 Å²	55	69%	0.687	25%	0.254	S	S	*	.			trans	-112.1	-16.4	-178.6	-60.3	-170.7	153.4	0	0	113.7
497	K	95.4	Very high	95.7	Very high	76 Å²	76	63.5 Å²	63.5	33%	0.33	29%	0.291	S	S	.	.	S	Bend	trans	-122.9	145.8	-173.7	-60.3	-170.4	-176.2	-169.8	0	111.4	E501 Q505 T616 T617	K497-E501 VanDerWaalsContact CA-OE2 3.23Å; K497-E501 WeakPolarHBondContact CA-OE2 3.38Å; K497-E501 HydrophobicContact CB-CB 4.04Å; K497-Q505 VanDerWaalsContact NZ-CD 3.35Å; K497-T616 CarbonylContact O-C 3.55Å; K497-T616 WeakPolarHBondContact O-CA 3.47Å; K497-T616 WeakPolarHBondContact O-CB 3.31Å; K497-T617 PolarHBondContact O-N 3.35Å
498	S	96.3	Very high	95.6	Very high	6 Å²	6	66.9 Å²	66.9	4%	0.042	30%	0.302	C	S	.	.			trans	-72.5	167.4	172.8	64.4	0	0	0	0	112.3	H500 E501 K502 T617 N618	S498-H500 VanDerWaalsContact C-N 3.28Å; S498-H500 PolarHBondContact O-N 3.27Å; S498-E501 PolarHBondContact N-OE2 3.27Å; S498-E501 PolarHBondContact O-N 3.41Å; S498-E501 WeakPolarHBondContact OG-CG 3.14Å; S498-E501 PolarHBondContact OG-N 3.2Å; S498-K502 WeakPolarHBondContact O-CB 3.48Å; S498-K502 PolarHBondContact O-N 3.49Å; S498-T617 VanDerWaalsContact CA-OG1 3.3Å; S498-T617 WeakPolarHBondContact CA-OG1 2.95Å; S498-T617 PolarHBondContact N-OG1 2.86Å; S498-N618 WeakPolarHBondContact CA-OD1 3.17Å
499	L	96.5	Very high	95.5	Very high	0 Å²	0	67.1 Å²	67.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-51.1	-49.2	171.6	-71	170.1	0	0	0	111.3	E501 K502 L503 L525 W531 L533 T616 N618 I621	L499-E501 PolarHBondContact O-N 3.5Å; L499-K502 PolarHBondContact O-N 3.06Å; L499-L503 VanDerWaalsContact O-CG 3.3Å; L499-L503 WeakPolarHBondContact O-CG 3.29Å; L499-L503 PolarHBondContact O-N 3.21Å; L499-L525 HydrophobicContact CB-CB 4.24Å; L499-L525 HydrophobicContact CB-CD2 4Å; L499-L525 HydrophobicContact CD1-CD2 3.82Å; L499-W531 HydrophobicContact CD1-CB 3.87Å; L499-W531 HydrophobicContact CD1-CG 4.4Å; L499-L533 HydrophobicContact CD2-CB 4.22Å; L499-L533 HydrophobicContact CD2-CD2 4.41Å; L499-T616 HydrophobicContact CD2-CG2 3.9Å; L499-T616 VanDerWaalsContact CD2-OG1 3.29Å; L499-T616 WeakPolarHBondContact CD2-OG1 3.38Å; L499-T616 HydrophobicContact CG-CG2 4.47Å; L499-T616 WeakPolarHBondContact CG-OG1 2.97Å; L499-N618 WeakPolarHBondContact CG-OD1 3.42Å; L499-N618 PolarHBondContact N-OD1 3Å; L499-I621 HydrophobicContact CD2-CD1 3.85Å; L499-I621 HydrophobicContact CD2-CG1 3.47Å; L499-I621 VanDerWaalsContact CD2-CG1 3.47Å
500	H	96.3	Very high	95.5	Very high	21 Å²	21	63.8 Å²	63.8	10%	0.097	30%	0.3	C	S	.	.	H	α-helix	trans	-62.1	-45	-179.4	176.9	-100.7	0	0	0	112.6	S498 K502 L503 K504 E517 L525	S498-H500 VanDerWaalsContact C-N 3.28Å; S498-H500 PolarHBondContact O-N 3.27Å; H500-K502 VanDerWaalsContact C-N 3.34Å; H500-K502 PolarHBondContact O-N 3.48Å; H500-L503 PolarHBondContact O-N 3.42Å; H500-K504 WeakPolarHBondContact O-CB 3.42Å; H500-K504 PolarHBondContact O-N 3.29Å; H500-E517 IonicContact NE2-OE1 3.77Å; H500-L525 HydrophobicContact CB-CB 3.87Å; H500-L525 PolarHBondContact N-O 3.02Å
501	E	96.1	Very high	95.3	Very high	99 Å²	99	62.6 Å²	62.6	46%	0.463	30%	0.297	S	S	.	.	H	α-helix	trans	-64.3	-39.5	178.1	-72.5	170	165.8	0	0	112.3	K497 S498 L499 K504 Q505	K497-E501 VanDerWaalsContact CA-OE2 3.23Å; K497-E501 WeakPolarHBondContact CA-OE2 3.38Å; K497-E501 HydrophobicContact CB-CB 4.04Å; S498-E501 PolarHBondContact N-OE2 3.27Å; S498-E501 PolarHBondContact O-N 3.41Å; S498-E501 WeakPolarHBondContact OG-CG 3.14Å; S498-E501 PolarHBondContact OG-N 3.2Å; L499-E501 PolarHBondContact O-N 3.5Å; E501-K504 PolarHBondContact O-N 3.33Å; E501-Q505 WeakPolarHBondContact O-CB 3.43Å; E501-Q505 PolarHBondContact O-N 3.44Å
502	K	96.6	Very high	95.2	Very high	74 Å²	74	62 Å²	62	32%	0.322	29%	0.294	S	S	.	.	H	α-helix	trans	-66.3	-42.1	178.7	-163.9	67.3	177.8	-178.1	0	111.5	S498 L499 H500 Q505 D506 I614 T616 I621	S498-K502 WeakPolarHBondContact O-CB 3.48Å; S498-K502 PolarHBondContact O-N 3.49Å; L499-K502 PolarHBondContact O-N 3.06Å; H500-K502 VanDerWaalsContact C-N 3.34Å; H500-K502 PolarHBondContact O-N 3.48Å; K502-Q505 PolarHBondContact O-N 3.23Å; K502-D506 PolarHBondContact O-N 3.41Å; K502-I614 HydrophobicContact CD-CG2 4.38Å; K502-I614 HydrophobicContact CG-CG2 4.14Å; K502-T616 HydrophobicContact CB-CG2 4.03Å; K502-T616 HydrophobicContact CG-CG2 4.29Å; K502-I621 HydrophobicContact CB-CD1 4.03Å; K502-I621 HydrophobicContact CG-CD1 4.05Å
503	L	96.1	Very high	95.1	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-43	174.4	-71.8	172.1	0	0	0	112.5	L499 H500 Q505 F509 L513 L516 L525 L533 V535 I621	L499-L503 VanDerWaalsContact O-CG 3.3Å; L499-L503 WeakPolarHBondContact O-CG 3.29Å; L499-L503 PolarHBondContact O-N 3.21Å; H500-L503 PolarHBondContact O-N 3.42Å; L503-Q505 VanDerWaalsContact C-N 3.32Å; L503-Q505 PolarHBondContact O-N 3.43Å; L503-F509 HydrophobicContact CD2-CB 3.86Å; L503-F509 HydrophobicContact CD2-CD2 3.84Å; L503-F509 HydrophobicContact CD2-CG 3.97Å; L503-L513 HydrophobicContact CB-CD1 4.16Å; L503-L513 HydrophobicContact CD1-CD1 4.34Å; L503-L516 HydrophobicContact CD1-CD1 3.74Å; L503-L525 HydrophobicContact CD1-CD1 3.94Å; L503-L533 HydrophobicContact CD1-CD2 3.88Å; L503-V535 HydrophobicContact CD2-CB 4.31Å; L503-V535 HydrophobicContact CD2-CG1 3.55Å; L503-V535 HydrophobicContact CD2-CG2 3.73Å; L503-I621 HydrophobicContact CD2-CD1 4.42Å; L503-I621 HydrophobicContact CG-CD1 4.36Å
504	K	95.8	Very high	95.1	Very high	153 Å²	153	58.1 Å²	58.1	67%	0.665	28%	0.283	S	S	*	.	H	α-helix	trans	-67.1	-32.6	-179.6	-175.6	176.8	177.9	-179.5	0	112.8	H500 E501 L513	H500-K504 WeakPolarHBondContact O-CB 3.42Å; H500-K504 PolarHBondContact O-N 3.29Å; E501-K504 PolarHBondContact O-N 3.33Å; K504-L513 HydrophobicContact CB-CD2 4.02Å; K504-L513 HydrophobicContact CG-CD2 4.5Å
505	Q	96.3	Very high	94.9	Very high	115 Å²	115	57 Å²	57	54%	0.537	28%	0.276	S	S	.	.	H	α-helix	trans	-71.2	-36.5	-178.7	-174.9	-179.8	3.5	0	0	112.5	K497 E501 K502 L503	K497-Q505 VanDerWaalsContact NZ-CD 3.35Å; E501-Q505 WeakPolarHBondContact O-CB 3.43Å; E501-Q505 PolarHBondContact O-N 3.44Å; K502-Q505 PolarHBondContact O-N 3.23Å; L503-Q505 VanDerWaalsContact C-N 3.32Å; L503-Q505 PolarHBondContact O-N 3.43Å
506	D	95.3	Very high	94.8	Very high	44 Å²	44	56.1 Å²	56.1	24%	0.235	27%	0.267	C	S	.	.			trans	-95.1	112.9	-176.5	-171.1	-21.8	0	0	0	111	K502 R508 F509	K502-D506 PolarHBondContact O-N 3.41Å; D506-R508 PolarHBondContact O-N 3.34Å; D506-R508 VanDerWaalsContact OD1-CB 3.23Å; D506-R508 WeakPolarHBondContact OD1-CB 2.92Å; D506-R508 VanDerWaalsContact OD1-CG 3.22Å; D506-R508 WeakPolarHBondContact OD1-CG 3.25Å; D506-R508 PolarHBondContact OD1-N 3.33Å; D506-R508 IonicContact OD1-NE 2.69Å; D506-R508 PolarHBondContact OD1-NE 3.17Å; D506-R508 IonicContact OD2-CZ 2.76Å; D506-R508 VanDerWaalsContact OD2-CZ 3.26Å; D506-R508 IonicContact OD2-NE 3.73Å; D506-R508 PolarHBondContact OD2-NE 3.05Å; D506-R508 IonicContact OD2-NH2 3.62Å; D506-R508 PolarHBondContact OD2-NH2 3.29Å; D506-F509 HydrophobicContact CB-CD2 3.58Å; D506-F509 HydrophobicContact CB-CE2 3.58Å; D506-F509 PolarHBondContact O-N 3.47Å; D506-F509 VanDerWaalsContact O-N 3.09Å; D506-F509 WeakPolarHBondContact OD2-CE2 3.49Å
507	K	95.4	Very high	94.6	Very high	183 Å²	183	52.7 Å²	52.7	80%	0.796	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-60.1	-21.3	-178.6	-63.5	-174.6	-179.4	-178.6	0	113	F509 S510 N538	K507-F509 PolarHBondContact O-N 2.91Å; K507-S510 PolarHBondContact O-N 2.87Å; K507-S510 PolarHBondContact O-OG 3.46Å; K507-N538 PolarHBondContact O-ND2 3.2Å
508	R	95.7	Very high	94.3	Very high	89 Å²	89	50.4 Å²	50.4	34%	0.336	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-65.9	-15.8	177.8	-60.2	179.6	-61.6	165.2	3.6	112.9	D506 T537 N538 E611	D506-R508 PolarHBondContact O-N 3.34Å; D506-R508 VanDerWaalsContact OD1-CB 3.23Å; D506-R508 WeakPolarHBondContact OD1-CB 2.92Å; D506-R508 VanDerWaalsContact OD1-CG 3.22Å; D506-R508 WeakPolarHBondContact OD1-CG 3.25Å; D506-R508 PolarHBondContact OD1-N 3.33Å; D506-R508 IonicContact OD1-NE 2.69Å; D506-R508 PolarHBondContact OD1-NE 3.17Å; D506-R508 IonicContact OD2-CZ 2.76Å; D506-R508 VanDerWaalsContact OD2-CZ 3.26Å; D506-R508 IonicContact OD2-NE 3.73Å; D506-R508 PolarHBondContact OD2-NE 3.05Å; D506-R508 IonicContact OD2-NH2 3.62Å; D506-R508 PolarHBondContact OD2-NH2 3.29Å; R508-T537 CarbonylContact O-C 3.58Å; R508-N538 PolarHBondContact O-N 3.28Å; R508-N538 PolarHBondContact O-ND2 3.2Å; R508-N538 PolarHBondContact O-OD1 3.4Å; R508-E611 IonicContact CZ-OE1 3.25Å; R508-E611 IonicContact NH1-OE1 2.8Å; R508-E611 PolarHBondContact NH1-OE1 3.45Å; R508-E611 IonicContact NH2-OE1 3.92Å; R508-E611 PolarHBondContact NH2-OE1 2.93Å; R508-E611 VanDerWaalsContact NH2-OE1 3.16Å; R508-E611 IonicContact NH2-OE2 2.66Å; R508-E611 PolarHBondContact NH2-OE2 2.86Å
509	F	95.4	Very high	93.9	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.018	25%	0.246	C	C	.	.	G	3₁₀ helix	trans	-107.2	5.4	-176.9	-49.5	-41.8	0	0	0	113.6	L503 D506 K507 T511 F512 L513 V535 T537 V623	L503-F509 HydrophobicContact CD2-CB 3.86Å; L503-F509 HydrophobicContact CD2-CD2 3.84Å; L503-F509 HydrophobicContact CD2-CG 3.97Å; D506-F509 HydrophobicContact CB-CD2 3.58Å; D506-F509 HydrophobicContact CB-CE2 3.58Å; D506-F509 PolarHBondContact O-N 3.47Å; D506-F509 VanDerWaalsContact O-N 3.09Å; D506-F509 WeakPolarHBondContact OD2-CE2 3.49Å; K507-F509 PolarHBondContact O-N 2.91Å; F509-T511 VanDerWaalsContact C-N 3.31Å; F509-T511 PolarHBondContact O-N 2.75Å; F509-F512 PolarHBondContact O-N 3.03Å; F509-F512 VanDerWaalsContact O-N 3.14Å; F509-L513 WeakPolarHBondContact O-CB 3.4Å; F509-L513 PolarHBondContact O-N 3.2Å; F509-V535 HydrophobicContact CB-CG1 4.08Å; F509-V535 HydrophobicContact CD1-CB 4.5Å; F509-V535 HydrophobicContact CD1-CG1 3.31Å; F509-V535 HydrophobicContact CD2-CG1 4.23Å; F509-V535 HydrophobicContact CE1-CG1 3.73Å; F509-V535 HydrophobicContact CG-CG1 3.61Å; F509-V535 HydrophobicContact CZ-CG1 4.35Å; F509-T537 HydrophobicContact CE1-CG2 4.15Å; F509-V623 HydrophobicContact CE1-CG1 3.96Å; F509-V623 HydrophobicContact CE1-CG2 4.09Å; F509-V623 HydrophobicContact CZ-CG1 4.36Å; F509-V623 HydrophobicContact CZ-CG2 3.72Å
510	S	94.4	Very high	93.4	Very high	61 Å²	61	55.8 Å²	55.8	43%	0.427	28%	0.276	S	S	.	.	H	α-helix	trans	-56.7	-39.8	-173	57.6	0	0	0	0	113.9	K507 S514 N538	K507-S510 PolarHBondContact O-N 2.87Å; K507-S510 PolarHBondContact O-OG 3.46Å; S510-S514 WeakPolarHBondContact O-CB 3.45Å; S510-S514 PolarHBondContact O-N 3.27Å; S510-S514 VanDerWaalsContact O-N 3.1Å; S510-N538 PolarHBondContact N-OD1 2.88Å; S510-N538 PolarHBondContact OG-ND2 3.41Å; S510-N538 PolarHBondContact OG-OD1 3.31Å
511	T	92.4	Very high	92.9	Very high	31 Å²	31	55 Å²	55	19%	0.19	27%	0.272	C	S	.	.	H	α-helix	trans	-68.1	-45.2	178.7	-60.9	0	0	0	0	111	F509 S514 L515 N538 F541	F509-T511 VanDerWaalsContact C-N 3.31Å; F509-T511 PolarHBondContact O-N 2.75Å; T511-S514 WeakPolarHBondContact O-CB 3.49Å; T511-S514 PolarHBondContact O-N 2.87Å; T511-L515 WeakPolarHBondContact O-CG 3.44Å; T511-L515 PolarHBondContact O-N 2.88Å; T511-L515 VanDerWaalsContact O-N 3.14Å; T511-N538 VanDerWaalsContact CB-OD1 3.29Å; T511-N538 WeakPolarHBondContact CB-OD1 3.39Å; T511-N538 PolarHBondContact N-OD1 3.06Å; T511-N538 PolarHBondContact OG1-OD1 3.48Å; T511-F541 HydrophobicContact CG2-CB 4.04Å; T511-F541 HydrophobicContact CG2-CD1 4.24Å; T511-F541 HydrophobicContact CG2-CD2 3.91Å; T511-F541 HydrophobicContact CG2-CE2 4.45Å; T511-F541 HydrophobicContact CG2-CG 3.78Å
512	F	94	Very high	92.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-66.6	-39.9	179	-172.7	-114.7	0	0	0	112.3	F509 S514 L515 L516 L533 V535 P536 F541 I563 H566	F509-F512 PolarHBondContact O-N 3.03Å; F509-F512 VanDerWaalsContact O-N 3.14Å; F512-S514 VanDerWaalsContact C-N 3.33Å; F512-S514 PolarHBondContact O-N 3.27Å; F512-L515 PolarHBondContact O-N 3.33Å; F512-L515 VanDerWaalsContact O-N 3.16Å; F512-L516 HydrophobicContact CD1-CD1 3.5Å; F512-L516 VanDerWaalsContact CD1-CD1 3.5Å; F512-L516 HydrophobicContact CD1-CG 4.3Å; F512-L516 HydrophobicContact CE1-CD1 3.42Å; F512-L516 VanDerWaalsContact CE1-CD1 3.42Å; F512-L516 HydrophobicContact CE1-CG 4.08Å; F512-L516 HydrophobicContact CG-CD1 4.31Å; F512-L516 HydrophobicContact CZ-CD1 4.17Å; F512-L516 HydrophobicContact CZ-CG 4.35Å; F512-L516 PolarHBondContact O-N 2.87Å; F512-L533 HydrophobicContact CE1-CD1 4.27Å; F512-L533 HydrophobicContact CZ-CD1 4.47Å; F512-V535 HydrophobicContact CD1-CG1 3.85Å; F512-V535 HydrophobicContact CE1-CB 4.5Å; F512-V535 HydrophobicContact CE1-CG1 4.32Å; F512-V535 HydrophobicContact CE1-CG2 4.28Å; F512-P536 HydrophobicContact CB-CG 4.37Å; F512-P536 HydrophobicContact CD2-CG 3.4Å; F512-P536 HydrophobicContact CE2-CG 3.64Å; F512-P536 HydrophobicContact CG-CG 3.88Å; F512-P536 HydrophobicContact CZ-CG 4.32Å; F512-F541 HydrophobicContact CB-CE2 4.14Å; F512-F541 HydrophobicContact CB-CZ 4.39Å; F512-F541 HydrophobicContact CD2-CE2 4.47Å; F512-F541 AromaticContact CD2-CZ 3.98Å; F512-F541 HydrophobicContact CD2-CZ 3.98Å; F512-I563 HydrophobicContact CD2-CD1 3.98Å; F512-I563 HydrophobicContact CE2-CD1 3.47Å; F512-I563 VanDerWaalsContact CE2-CD1 3.47Å; F512-I563 HydrophobicContact CZ-CD1 4.28Å; F512-H566 HydrophobicContact CZ-CB 4.12Å
513	L	94.6	Very high	92.1	Very high	19 Å²	19	55.5 Å²	55.5	10%	0.099	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-42.5	174.3	-179.3	60.5	0	0	0	111.6	L503 K504 F509 L515 L516 E517	L503-L513 HydrophobicContact CB-CD1 4.16Å; L503-L513 HydrophobicContact CD1-CD1 4.34Å; K504-L513 HydrophobicContact CB-CD2 4.02Å; K504-L513 HydrophobicContact CG-CD2 4.5Å; F509-L513 WeakPolarHBondContact O-CB 3.4Å; F509-L513 PolarHBondContact O-N 3.2Å; L513-L515 VanDerWaalsContact C-N 3.3Å; L513-L515 PolarHBondContact O-N 3.28Å; L513-L516 WeakPolarHBondContact O-CB 3.38Å; L513-L516 PolarHBondContact O-N 3.45Å; L513-E517 HydrophobicContact CD1-CG 4.5Å; L513-E517 WeakPolarHBondContact O-CG 3.41Å; L513-E517 PolarHBondContact O-N 3.43Å
514	S	92.1	Very high	91.7	Very high	45 Å²	45	56.2 Å²	56.2	32%	0.315	28%	0.278	S	S	.	.	H	α-helix	trans	-61.5	-37	175.1	167.4	0	0	0	0	112.6	S510 T511 F512 A518	S510-S514 WeakPolarHBondContact O-CB 3.45Å; S510-S514 PolarHBondContact O-N 3.27Å; S510-S514 VanDerWaalsContact O-N 3.1Å; T511-S514 WeakPolarHBondContact O-CB 3.49Å; T511-S514 PolarHBondContact O-N 2.87Å; F512-S514 VanDerWaalsContact C-N 3.33Å; F512-S514 PolarHBondContact O-N 3.27Å; S514-A518 WeakPolarHBondContact O-CB 3.18Å; S514-A518 PolarHBondContact O-N 3.48Å; S514-A518 VanDerWaalsContact O-N 3.07Å
515	L	91.3	Very high	91.4	Very high	6 Å²	6	49 Å²	49	3%	0.031	25%	0.247	C	C	.	.	H	α-helix	trans	-71.5	-39.3	175.6	-66.5	176.5	0	0	0	112.1	T511 F512 L513 A518 A519 F541 I553 L559 I563	T511-L515 WeakPolarHBondContact O-CG 3.44Å; T511-L515 PolarHBondContact O-N 2.88Å; T511-L515 VanDerWaalsContact O-N 3.14Å; F512-L515 PolarHBondContact O-N 3.33Å; F512-L515 VanDerWaalsContact O-N 3.16Å; L513-L515 VanDerWaalsContact C-N 3.3Å; L513-L515 PolarHBondContact O-N 3.28Å; L515-A518 PolarHBondContact O-N 3.39Å; L515-A519 WeakPolarHBondContact O-CB 3.35Å; L515-A519 PolarHBondContact O-N 3.12Å; L515-F541 HydrophobicContact CD1-CD1 4.35Å; L515-F541 HydrophobicContact CD1-CE1 3.66Å; L515-F541 HydrophobicContact CD1-CZ 4.06Å; L515-I553 HydrophobicContact CD2-CD1 4.36Å; L515-I553 HydrophobicContact CD2-CG1 3.97Å; L515-L559 HydrophobicContact CB-CD1 4.22Å; L515-L559 HydrophobicContact CD2-CD1 4.01Å; L515-L559 HydrophobicContact CD2-CD2 4.41Å; L515-L559 HydrophobicContact CG-CD1 4.48Å; L515-I563 HydrophobicContact CB-CD1 4.06Å
516	L	91.4	Very high	91.2	Very high	4 Å²	4	47 Å²	47	2%	0.021	24%	0.242	C	C	.	.	H	α-helix	trans	-61	-42.8	174.1	-82.6	160	0	0	0	112.2	L503 F512 L513 A519 D520 L521 L525 I563	L503-L516 HydrophobicContact CD1-CD1 3.74Å; F512-L516 HydrophobicContact CD1-CD1 3.5Å; F512-L516 VanDerWaalsContact CD1-CD1 3.5Å; F512-L516 HydrophobicContact CD1-CG 4.3Å; F512-L516 HydrophobicContact CE1-CD1 3.42Å; F512-L516 VanDerWaalsContact CE1-CD1 3.42Å; F512-L516 HydrophobicContact CE1-CG 4.08Å; F512-L516 HydrophobicContact CG-CD1 4.31Å; F512-L516 HydrophobicContact CZ-CD1 4.17Å; F512-L516 HydrophobicContact CZ-CG 4.35Å; F512-L516 PolarHBondContact O-N 2.87Å; L513-L516 WeakPolarHBondContact O-CB 3.38Å; L513-L516 PolarHBondContact O-N 3.45Å; L516-A519 PolarHBondContact O-N 3.45Å; L516-D520 PolarHBondContact O-N 2.9Å; L516-L521 HydrophobicContact CD2-CB 4.13Å; L516-L521 HydrophobicContact CD2-CD1 4.01Å; L516-L521 PolarHBondContact O-N 2.69Å; L516-L521 VanDerWaalsContact O-N 3.1Å; L516-L525 HydrophobicContact CB-CD1 4.39Å; L516-L525 HydrophobicContact CD1-CD1 3.79Å; L516-L525 HydrophobicContact CD2-CD1 3.98Å; L516-L525 HydrophobicContact CG-CD1 4.3Å; L516-I563 HydrophobicContact CD2-CG2 3.26Å; L516-I563 HydrophobicContact CG-CG2 3.96Å
517	E	89.8	Confident	90.9	Very high	76 Å²	76	47 Å²	47	36%	0.355	24%	0.241	S	C	.	.	H	α-helix	trans	-67.7	-39.6	176	-70.5	-172.1	137.9	0	0	111.6	H500 L513 A519 D520 K522	H500-E517 IonicContact NE2-OE1 3.77Å; L513-E517 HydrophobicContact CD1-CG 4.5Å; L513-E517 WeakPolarHBondContact O-CG 3.41Å; L513-E517 PolarHBondContact O-N 3.43Å; E517-A519 PolarHBondContact O-N 3.3Å; E517-D520 PolarHBondContact O-N 3.45Å; E517-D520 VanDerWaalsContact O-N 3.13Å; E517-K522 HydrophobicContact CG-CB 4.45Å; E517-K522 HydrophobicContact CG-CD 4.38Å; E517-K522 IonicContact OE1-NZ 3.84Å; E517-K522 PolarHBondContact OE1-NZ 3.28Å
518	A	89	Confident	90.6	Very high	27 Å²	27	44.1 Å²	44.1	22%	0.223	24%	0.241	C	C	.	.	H	α-helix	trans	-66.6	-24.8	175.1	0	0	0	0	0	113.6	S514 L515 D520 I553 L559	S514-A518 WeakPolarHBondContact O-CB 3.18Å; S514-A518 PolarHBondContact O-N 3.48Å; S514-A518 VanDerWaalsContact O-N 3.07Å; L515-A518 PolarHBondContact O-N 3.39Å; A518-D520 VanDerWaalsContact C-N 3.3Å; A518-I553 HydrophobicContact CB-CG1 4.42Å; A518-I553 HydrophobicContact CB-CG2 4.3Å; A518-L559 HydrophobicContact CB-CD2 4.07Å
519	A	86.5	Confident	90.3	Very high	4 Å²	4	41.2 Å²	41.2	3%	0.033	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	8.9	174.4	0	0	0	0	0	113.5	L515 L516 E517 L521 L559	L515-A519 WeakPolarHBondContact O-CB 3.35Å; L515-A519 PolarHBondContact O-N 3.12Å; L516-A519 PolarHBondContact O-N 3.45Å; E517-A519 PolarHBondContact O-N 3.3Å; A519-L521 HydrophobicContact CB-CD1 4.21Å; A519-L521 HydrophobicContact CB-CG 4.22Å; A519-L521 PolarHBondContact O-N 2.77Å; A519-L559 HydrophobicContact CB-CD2 4.36Å; A519-L559 HydrophobicContact CB-CG 4.32Å
520	D	86.3	Confident	90.2	Very high	116 Å²	116	44.7 Å²	44.7	62%	0.62	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.1	27.3	179.8	-64.8	-49.9	0	0	0	114.1	L516 E517 A518 K556	L516-D520 PolarHBondContact O-N 2.9Å; E517-D520 PolarHBondContact O-N 3.45Å; E517-D520 VanDerWaalsContact O-N 3.13Å; A518-D520 VanDerWaalsContact C-N 3.3Å; D520-K556 IonicContact OD2-NZ 2.79Å
521	L	86.5	Confident	90.3	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	25%	0.246	C	C	.	.			trans	-95.3	4.5	-178.5	-64.3	176.2	0	0	0	114.3	L516 A519 E523 L524 L525 I563 L564 V666	L516-L521 HydrophobicContact CD2-CB 4.13Å; L516-L521 HydrophobicContact CD2-CD1 4.01Å; L516-L521 PolarHBondContact O-N 2.69Å; L516-L521 VanDerWaalsContact O-N 3.1Å; A519-L521 HydrophobicContact CB-CD1 4.21Å; A519-L521 HydrophobicContact CB-CG 4.22Å; A519-L521 PolarHBondContact O-N 2.77Å; L521-E523 VanDerWaalsContact C-N 3.33Å; L521-E523 PolarHBondContact O-N 3.32Å; L521-L524 PolarHBondContact O-N 3.47Å; L521-L525 WeakPolarHBondContact O-CG 3.22Å; L521-L525 PolarHBondContact O-N 2.84Å; L521-I563 HydrophobicContact CD1-CB 4.21Å; L521-I563 HydrophobicContact CD1-CG2 3.5Å; L521-I563 VanDerWaalsContact CD1-CG2 3.5Å; L521-L564 HydrophobicContact CD1-CD2 3.96Å; L521-L564 HydrophobicContact CD1-CG 4.35Å; L521-L564 HydrophobicContact CD2-CD2 3.92Å; L521-V666 HydrophobicContact CD2-CG1 4.14Å; L521-V666 HydrophobicContact CD2-CG2 3.92Å
522	K	89.3	Confident	90.5	Very high	95 Å²	95	42.6 Å²	42.6	41%	0.413	24%	0.237	S	C	.	.	H	α-helix	trans	-58.4	-42.6	-177.9	-178.8	177.1	-171.9	145.2	0	113.3	E517 L525 T526	E517-K522 HydrophobicContact CG-CB 4.45Å; E517-K522 HydrophobicContact CG-CD 4.38Å; E517-K522 IonicContact OE1-NZ 3.84Å; E517-K522 PolarHBondContact OE1-NZ 3.28Å; K522-L525 PolarHBondContact O-N 2.91Å; K522-T526 PolarHBondContact O-N 2.89Å; K522-T526 PolarHBondContact O-OG1 3.14Å
523	E	87.5	Confident	90.7	Very high	90 Å²	90	42.7 Å²	42.7	42%	0.421	24%	0.237	S	C	.	.	H	α-helix	trans	-66.2	-42.1	-177.5	-172.1	167.1	-172.1	0	0	111.1	L521 L525 T526 Q527 V668	L521-E523 VanDerWaalsContact C-N 3.33Å; L521-E523 PolarHBondContact O-N 3.32Å; E523-L525 VanDerWaalsContact C-N 3.29Å; E523-L525 PolarHBondContact O-N 3.32Å; E523-T526 PolarHBondContact O-N 3.46Å; E523-Q527 HydrophobicContact CG-CG 4.01Å; E523-Q527 VanDerWaalsContact CG-NE2 3.35Å; E523-Q527 WeakPolarHBondContact O-CG 3.46Å; E523-Q527 PolarHBondContact O-N 3.39Å; E523-Q527 PolarHBondContact OE1-NE2 3.41Å; E523-V668 HydrophobicContact CB-CG1 4.45Å; E523-V668 VanDerWaalsContact CD-CG1 3.43Å; E523-V668 HydrophobicContact CG-CG1 3.8Å
524	L	86.7	Confident	90.8	Very high	16 Å²	16	41.8 Å²	41.8	8%	0.084	23%	0.232	C	C	.	.	H	α-helix	trans	-57.3	-41.5	175	-174.9	155	0	0	0	111.9	L521 T526 W531 L567 V666	L521-L524 PolarHBondContact O-N 3.47Å; L524-T526 VanDerWaalsContact C-N 3.26Å; L524-T526 PolarHBondContact O-N 2.88Å; L524-W531 HydrophobicContact CD1-CH2 4.03Å; L524-W531 HydrophobicContact CD1-CZ2 3.87Å; L524-W531 HydrophobicContact CD2-CD2 4.04Å; L524-W531 HydrophobicContact CD2-CG 4.38Å; L524-W531 HydrophobicContact CD2-CZ2 4.01Å; L524-W531 HydrophobicContact CG-CH2 4.49Å; L524-W531 HydrophobicContact CG-CZ2 3.87Å; L524-L567 HydrophobicContact CD1-CD2 3.89Å; L524-L567 HydrophobicContact CD2-CD1 4.33Å; L524-L567 HydrophobicContact CD2-CD2 3.54Å; L524-L567 HydrophobicContact CG-CD2 4.42Å; L524-V666 HydrophobicContact CD1-CG1 3.92Å
525	L	89.6	Confident	91.1	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-75.2	-12.6	179.9	-63.4	-178.4	0	0	0	114.3	L499 H500 L503 L516 L521 K522 E523 L533 N618	L499-L525 HydrophobicContact CB-CB 4.24Å; L499-L525 HydrophobicContact CB-CD2 4Å; L499-L525 HydrophobicContact CD1-CD2 3.82Å; H500-L525 HydrophobicContact CB-CB 3.87Å; H500-L525 PolarHBondContact N-O 3.02Å; L503-L525 HydrophobicContact CD1-CD1 3.94Å; L516-L525 HydrophobicContact CB-CD1 4.39Å; L516-L525 HydrophobicContact CD1-CD1 3.79Å; L516-L525 HydrophobicContact CD2-CD1 3.98Å; L516-L525 HydrophobicContact CG-CD1 4.3Å; L521-L525 WeakPolarHBondContact O-CG 3.22Å; L521-L525 PolarHBondContact O-N 2.84Å; K522-L525 PolarHBondContact O-N 2.91Å; E523-L525 VanDerWaalsContact C-N 3.29Å; E523-L525 PolarHBondContact O-N 3.32Å; L525-L533 HydrophobicContact CD2-CD2 4.13Å; L525-N618 VanDerWaalsContact C-ND2 3.33Å; L525-N618 PolarHBondContact O-ND2 3.31Å
526	T	91.1	Very high	91.3	Very high	73 Å²	73	39.3 Å²	39.3	45%	0.448	22%	0.216	S	C	.	.	H	α-helix	trans	-102.9	-36.9	-178.4	-52.4	0	0	0	0	111.6	K522 E523 L524	K522-T526 PolarHBondContact O-N 2.89Å; K522-T526 PolarHBondContact O-OG1 3.14Å; E523-T526 PolarHBondContact O-N 3.46Å; L524-T526 VanDerWaalsContact C-N 3.26Å; L524-T526 PolarHBondContact O-N 2.88Å
527	Q	89.5	Confident	91.4	Very high	42 Å²	42	39.3 Å²	39.3	20%	0.196	22%	0.216	C	C	.	.	S	Bend	trans	-68.4	153.6	179.9	-72.1	-175.5	-4.5	0	0	112.1	E523 N618 Y669	E523-Q527 HydrophobicContact CG-CG 4.01Å; E523-Q527 VanDerWaalsContact CG-NE2 3.35Å; E523-Q527 WeakPolarHBondContact O-CG 3.46Å; E523-Q527 PolarHBondContact O-N 3.39Å; E523-Q527 PolarHBondContact OE1-NE2 3.41Å; Q527-N618 WeakPolarHBondContact O-CB 3.42Å; Q527-N618 PolarHBondContact O-ND2 2.94Å; Q527-Y669 PolarHBondContact OE1-O 2.94Å
528	P	89	Confident	91.6	Very high	123 Å²	123	37.9 Å²	37.9	80%	0.799	21%	0.21	S	C	*	.	S	Bend	trans	-56.7	140.3	169.9	-21.3	32.5	0	0	0	111.3
529	G	89.8	Confident	91.7	Very high	28 Å²	28	41.3 Å²	41.3	29%	0.289	23%	0.225	S	C	.	.			trans	174.9	177.3	-179.9	0	0	0	0	0	110.8	N618	G529-N618 CarbonylContact C-O 3.44Å; G529-N618 CarbonylContact O-C 3.58Å; G529-N618 WeakPolarHBondContact O-CA 3.33Å; G529-N618 WeakPolarHBondContact O-CB 3.33Å
530	D	94.1	Very high	91.8	Very high	77 Å²	77	41.6 Å²	41.6	41%	0.412	23%	0.228	S	C	.	.			trans	-120.6	107.3	177.6	-72.4	-47	0	0	0	108.7	G570 V571	D530-G570 WeakPolarHBondContact O-CA 3.49Å; D530-G570 PolarHBondContact O-N 3.35Å; D530-V571 HydrophobicContact CB-CG2 3.91Å
531	W	95.8	Very high	91.9	Very high	49 Å²	49	36.7 Å²	36.7	19%	0.186	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	148.2	-173.1	-60.4	106.2	0	0	0	112.4	L499 L524 L567 P569 G570 N618 G619 V620	L499-W531 HydrophobicContact CD1-CB 3.87Å; L499-W531 HydrophobicContact CD1-CG 4.4Å; L524-W531 HydrophobicContact CD1-CH2 4.03Å; L524-W531 HydrophobicContact CD1-CZ2 3.87Å; L524-W531 HydrophobicContact CD2-CD2 4.04Å; L524-W531 HydrophobicContact CD2-CG 4.38Å; L524-W531 HydrophobicContact CD2-CZ2 4.01Å; L524-W531 HydrophobicContact CG-CH2 4.49Å; L524-W531 HydrophobicContact CG-CZ2 3.87Å; W531-L567 HydrophobicContact CB-CD1 3.9Å; W531-L567 HydrophobicContact CD2-CD1 4.1Å; W531-L567 HydrophobicContact CD2-CD2 4.45Å; W531-L567 HydrophobicContact CD2-CG 4.44Å; W531-L567 HydrophobicContact CE3-CD1 3.83Å; W531-L567 HydrophobicContact CE3-CD2 3.9Å; W531-L567 HydrophobicContact CE3-CG 3.74Å; W531-L567 HydrophobicContact CG-CD1 4.16Å; W531-L567 HydrophobicContact CZ3-CD2 3.99Å; W531-L567 HydrophobicContact CZ3-CG 4.17Å; W531-P569 HydrophobicContact CE3-CB 4.38Å; W531-P569 HydrophobicContact CZ3-CB 3.99Å; W531-G570 CarbonylContact C-O 3.06Å; W531-N618 PolarHBondContact N-O 2.72Å; W531-G619 CarbonylContact O-C 3.51Å; W531-G619 WeakPolarHBondContact O-CA 3.41Å; W531-V620 PolarHBondContact O-N 2.89Å
532	T	97.4	Very high	91.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	117.3	167.1	-61.5	0	0	0	0	108.3	F534 T568 G570 F572 V620	T532-F534 HydrophobicContact CG2-CE1 4.4Å; T532-F534 HydrophobicContact CG2-CE2 3.9Å; T532-F534 HydrophobicContact CG2-CZ 3.68Å; T532-T568 PolarHBondContact N-O 3.17Å; T532-T568 PolarHBondContact O-N 2.94Å; T532-G570 PolarHBondContact N-O 3.18Å; T532-G570 PolarHBondContact OG1-O 3.44Å; T532-F572 HydrophobicContact CG2-CB 4.41Å; T532-F572 WeakPolarHBondContact OG1-CD2 3.32Å; T532-F572 PolarHBondContact OG1-N 2.81Å; T532-V620 HydrophobicContact CG2-CG1 3.96Å
533	L	97.4	Very high	91	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.3	-176.6	-177.1	67.5	0	0	0	110.9	L499 L503 F512 L525 V535 H566 L567 V620 I621 H622	L499-L533 HydrophobicContact CD2-CB 4.22Å; L499-L533 HydrophobicContact CD2-CD2 4.41Å; L503-L533 HydrophobicContact CD1-CD2 3.88Å; F512-L533 HydrophobicContact CE1-CD1 4.27Å; F512-L533 HydrophobicContact CZ-CD1 4.47Å; L525-L533 HydrophobicContact CD2-CD2 4.13Å; L533-V535 HydrophobicContact CB-CG2 4.49Å; L533-V535 HydrophobicContact CD2-CG2 3.69Å; L533-V535 HydrophobicContact CG-CG2 3.69Å; L533-H566 CarbonylContact C-O 3.27Å; L533-H566 WeakPolarHBondContact CA-O 3.3Å; L533-L567 HydrophobicContact CB-CD1 4.42Å; L533-L567 HydrophobicContact CD1-CB 4.44Å; L533-L567 HydrophobicContact CD1-CD1 4.09Å; L533-V620 PolarHBondContact N-O 2.98Å; L533-I621 HydrophobicContact CB-CG1 4.39Å; L533-I621 HydrophobicContact CD2-CG1 4.47Å; L533-I621 WeakPolarHBondContact O-CA 3.09Å; L533-H622 PolarHBondContact O-N 3.24Å
534	F	97.4	Very high	90.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	115.1	172.1	-59.5	-78.2	0	0	0	109.4	T532 P536 H566 I593 L595 V604 H622 V624 L628	T532-F534 HydrophobicContact CG2-CE1 4.4Å; T532-F534 HydrophobicContact CG2-CE2 3.9Å; T532-F534 HydrophobicContact CG2-CZ 3.68Å; F534-P536 WeakPolarHBondContact O-CD 3.3Å; F534-H566 HydrophobicContact CB-CB 4.3Å; F534-H566 WeakPolarHBondContact CD2-O 3.36Å; F534-H566 PolarHBondContact N-O 3.32Å; F534-H566 WeakPolarHBondContact O-CB 3.43Å; F534-H566 PolarHBondContact O-CD2 3.4Å; F534-H566 VanDerWaalsContact O-CD2 3.26Å; F534-I593 HydrophobicContact CD2-CD1 3.67Å; F534-I593 HydrophobicContact CE2-CD1 3.61Å; F534-I593 HydrophobicContact CG-CD1 4.36Å; F534-I593 HydrophobicContact CZ-CD1 4.24Å; F534-L595 HydrophobicContact CE1-CD1 4.49Å; F534-L595 HydrophobicContact CE1-CD2 3.64Å; F534-L595 HydrophobicContact CE2-CD2 4.47Å; F534-L595 HydrophobicContact CZ-CD1 3.84Å; F534-L595 HydrophobicContact CZ-CD2 3.47Å; F534-L595 VanDerWaalsContact CZ-CD2 3.47Å; F534-L595 HydrophobicContact CZ-CG 4.24Å; F534-V604 HydrophobicContact CD1-CB 4.39Å; F534-V604 HydrophobicContact CD1-CG1 3.85Å; F534-V604 HydrophobicContact CD1-CG2 3.7Å; F534-V604 HydrophobicContact CE1-CB 4.38Å; F534-V604 HydrophobicContact CE1-CG1 3.89Å; F534-V604 HydrophobicContact CE1-CG2 3.54Å; F534-V604 HydrophobicContact CG-CG1 4.33Å; F534-V604 HydrophobicContact CZ-CG1 4.42Å; F534-H622 CarbonylContact C-O 3.29Å; F534-H622 WeakPolarHBondContact CA-O 3.27Å; F534-H622 HydrophobicContact CD1-CB 3.72Å; F534-H622 HydrophobicContact CE1-CB 3.88Å; F534-H622 AromaticContact CE1-CD2 3.51Å; F534-H622 AromaticContact CZ-CD2 4Å; F534-V624 HydrophobicContact CD1-CG1 4.44Å; F534-L628 HydrophobicContact CB-CD1 3.58Å; F534-L628 HydrophobicContact CD1-CD1 4.45Å; F534-L628 HydrophobicContact CD2-CD1 4.36Å; F534-L628 HydrophobicContact CG-CD1 3.87Å
535	V	97	Very high	90.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	106.9	-170.3	-178.1	0	0	0	0	110.1	L503 F509 F512 L533 I621 H622 V623 V624	L503-V535 HydrophobicContact CD2-CB 4.31Å; L503-V535 HydrophobicContact CD2-CG1 3.55Å; L503-V535 HydrophobicContact CD2-CG2 3.73Å; F509-V535 HydrophobicContact CB-CG1 4.08Å; F509-V535 HydrophobicContact CD1-CB 4.5Å; F509-V535 HydrophobicContact CD1-CG1 3.31Å; F509-V535 HydrophobicContact CD2-CG1 4.23Å; F509-V535 HydrophobicContact CE1-CG1 3.73Å; F509-V535 HydrophobicContact CG-CG1 3.61Å; F509-V535 HydrophobicContact CZ-CG1 4.35Å; F512-V535 HydrophobicContact CD1-CG1 3.85Å; F512-V535 HydrophobicContact CE1-CB 4.5Å; F512-V535 HydrophobicContact CE1-CG1 4.32Å; F512-V535 HydrophobicContact CE1-CG2 4.28Å; L533-V535 HydrophobicContact CB-CG2 4.49Å; L533-V535 HydrophobicContact CD2-CG2 3.69Å; L533-V535 HydrophobicContact CG-CG2 3.69Å; V535-I621 HydrophobicContact CB-CG2 4.05Å; V535-I621 HydrophobicContact CG2-CB 4.41Å; V535-I621 HydrophobicContact CG2-CG1 4.17Å; V535-I621 HydrophobicContact CG2-CG2 3.55Å; V535-H622 PolarHBondContact N-O 3.29Å; V535-V623 WeakPolarHBondContact O-CA 3.42Å; V535-V624 PolarHBondContact O-N 2.97Å
536	P	95.3	Very high	90.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	132.5	171.2	27.8	-32.9	0	0	0	110.9	F512 F534 A540 F541 V624 L627	F512-P536 HydrophobicContact CB-CG 4.37Å; F512-P536 HydrophobicContact CD2-CG 3.4Å; F512-P536 HydrophobicContact CE2-CG 3.64Å; F512-P536 HydrophobicContact CG-CG 3.88Å; F512-P536 HydrophobicContact CZ-CG 4.32Å; F534-P536 WeakPolarHBondContact O-CD 3.3Å; P536-A540 HydrophobicContact CB-CB 3.73Å; P536-F541 HydrophobicContact CB-CE2 3.86Å; P536-F541 HydrophobicContact CB-CZ 4.11Å; P536-F541 HydrophobicContact CG-CE2 3.72Å; P536-F541 HydrophobicContact CG-CZ 3.63Å; P536-V624 WeakPolarHBondContact CA-O 3.45Å; P536-V624 HydrophobicContact CB-CG2 4.1Å; P536-L627 HydrophobicContact CG-CD1 4.18Å
537	T	94.6	Very high	89.8	Confident	4 Å²	4	48.3 Å²	48.3	3%	0.025	28%	0.276	C	S	.	.			trans	-67.2	161.8	172.6	59.2	0	0	0	0	112	R508 F509 D539 A540 F541 V623 V624	R508-T537 CarbonylContact O-C 3.58Å; F509-T537 HydrophobicContact CE1-CG2 4.15Å; T537-D539 PolarHBondContact O-N 3.31Å; T537-A540 WeakPolarHBondContact O-CB 3.3Å; T537-A540 PolarHBondContact O-N 3.28Å; T537-F541 WeakPolarHBondContact O-CD2 3.26Å; T537-V623 HydrophobicContact CG2-CG1 3.53Å; T537-V624 PolarHBondContact N-O 3.09Å
538	N	93	Very high	89.5	Confident	45 Å²	45	47.7 Å²	47.7	24%	0.241	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-53.3	-29.4	173.9	-70.7	-19.9	0	0	0	112.9	K507 R508 S510 T511 A540 F541 K542	K507-N538 PolarHBondContact O-ND2 3.2Å; R508-N538 PolarHBondContact O-N 3.28Å; R508-N538 PolarHBondContact O-ND2 3.2Å; R508-N538 PolarHBondContact O-OD1 3.4Å; S510-N538 PolarHBondContact N-OD1 2.88Å; S510-N538 PolarHBondContact OG-ND2 3.41Å; S510-N538 PolarHBondContact OG-OD1 3.31Å; T511-N538 VanDerWaalsContact CB-OD1 3.29Å; T511-N538 WeakPolarHBondContact CB-OD1 3.39Å; T511-N538 PolarHBondContact N-OD1 3.06Å; T511-N538 PolarHBondContact OG1-OD1 3.48Å; N538-A540 VanDerWaalsContact C-N 3.25Å; N538-A540 PolarHBondContact O-N 3.48Å; N538-F541 PolarHBondContact O-N 3.49Å; N538-F541 VanDerWaalsContact O-N 3.1Å; N538-K542 PolarHBondContact O-N 3.29Å
539	D	91.1	Very high	89.2	Confident	99 Å²	99	44.6 Å²	44.6	53%	0.529	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-62.8	-30.2	175.1	-68.6	-30	0	0	0	113	T537 F541 K542 K610	T537-D539 PolarHBondContact O-N 3.31Å; D539-F541 PolarHBondContact O-N 2.99Å; D539-K542 WeakPolarHBondContact O-CB 3.36Å; D539-K542 PolarHBondContact O-N 3.09Å; D539-K610 IonicContact OD2-NZ 3.8Å
540	A	89.1	Confident	88.9	Confident	11 Å²	11	49.7 Å²	49.7	9%	0.091	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-64.1	-22.3	175.8	0	0	0	0	0	112.4	P536 T537 N538 D625	P536-A540 HydrophobicContact CB-CB 3.73Å; T537-A540 WeakPolarHBondContact O-CB 3.3Å; T537-A540 PolarHBondContact O-N 3.28Å; N538-A540 VanDerWaalsContact C-N 3.25Å; N538-A540 PolarHBondContact O-N 3.48Å; A540-D625 WeakPolarHBondContact CA-O 3.46Å; A540-D625 VanDerWaalsContact CB-O 3.25Å; A540-D625 WeakPolarHBondContact CB-O 3.43Å
541	F	89.5	Confident	88.4	Confident	13 Å²	13	48.5 Å²	48.5	6%	0.057	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-100.9	4.9	178.4	-56.8	-83.2	0	0	0	112.3	T511 F512 L515 P536 T537 N538 D539 G543 M544 L627	T511-F541 HydrophobicContact CG2-CB 4.04Å; T511-F541 HydrophobicContact CG2-CD1 4.24Å; T511-F541 HydrophobicContact CG2-CD2 3.91Å; T511-F541 HydrophobicContact CG2-CE2 4.45Å; T511-F541 HydrophobicContact CG2-CG 3.78Å; F512-F541 HydrophobicContact CB-CE2 4.14Å; F512-F541 HydrophobicContact CB-CZ 4.39Å; F512-F541 HydrophobicContact CD2-CE2 4.47Å; F512-F541 AromaticContact CD2-CZ 3.98Å; F512-F541 HydrophobicContact CD2-CZ 3.98Å; L515-F541 HydrophobicContact CD1-CD1 4.35Å; L515-F541 HydrophobicContact CD1-CE1 3.66Å; L515-F541 HydrophobicContact CD1-CZ 4.06Å; P536-F541 HydrophobicContact CB-CE2 3.86Å; P536-F541 HydrophobicContact CB-CZ 4.11Å; P536-F541 HydrophobicContact CG-CE2 3.72Å; P536-F541 HydrophobicContact CG-CZ 3.63Å; T537-F541 WeakPolarHBondContact O-CD2 3.26Å; N538-F541 PolarHBondContact O-N 3.49Å; N538-F541 VanDerWaalsContact O-N 3.1Å; D539-F541 PolarHBondContact O-N 2.99Å; F541-G543 PolarHBondContact O-N 2.92Å; F541-M544 HydrophobicContact CB-CE 4.31Å; F541-M544 HydrophobicContact CD1-CE 3.79Å; F541-M544 VanDerWaalsContact O-CB 3.29Å; F541-M544 WeakPolarHBondContact O-CB 3.01Å; F541-M544 PolarHBondContact O-N 3.33Å; F541-L627 HydrophobicContact CE1-CD1 3.92Å; F541-L627 HydrophobicContact CZ-CD1 3.92Å
542	K	83.7	Confident	87.8	Confident	168 Å²	168	46.5 Å²	46.5	73%	0.73	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	132.4	-176.6	-168.1	174.6	-176.8	175.6	0	110.6	N538 D539	N538-K542 PolarHBondContact O-N 3.29Å; D539-K542 WeakPolarHBondContact O-CB 3.36Å; D539-K542 PolarHBondContact O-N 3.09Å
543	G	72	Confident	87.2	Confident	49 Å²	49	49.2 Å²	49.2	51%	0.505	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	97.7	-11.1	-175.1	0	0	0	0	0	113.5	F541 K646	F541-G543 PolarHBondContact O-N 2.92Å; G543-K646 WeakPolarHBondContact O-CE 3.49Å; G543-K646 PolarHBondContact O-NZ 2.96Å
544	M	82	Confident	86.6	Confident	34 Å²	34	59.7 Å²	59.7	17%	0.167	30%	0.303	C	S	.	.			trans	-70.2	133.4	171	-165.6	-176.6	-55.1	0	0	111	F541 E548 K549 L552 L647	F541-M544 HydrophobicContact CB-CE 4.31Å; F541-M544 HydrophobicContact CD1-CE 3.79Å; F541-M544 VanDerWaalsContact O-CB 3.29Å; F541-M544 WeakPolarHBondContact O-CB 3.01Å; F541-M544 PolarHBondContact O-N 3.33Å; M544-E548 WeakPolarHBondContact CA-OE2 3.46Å; M544-E548 HydrophobicContact CG-CB 3.62Å; M544-K549 HydrophobicContact CG-CB 4.49Å; M544-K549 HydrophobicContact SD-CB 3.73Å; M544-K549 HydrophobicContact SD-CG 4.19Å; M544-L552 HydrophobicContact CE-CD1 3.76Å; M544-L552 HydrophobicContact SD-CD1 3.77Å; M544-L647 HydrophobicContact CE-CD1 3.37Å; M544-L647 HydrophobicContact CE-CD2 3.64Å; M544-L647 HydrophobicContact CE-CG 4.03Å
545	T	83.6	Confident	86	Confident	54 Å²	54	62.4 Å²	62.4	33%	0.331	32%	0.317	S	S	.	.			trans	-80.1	162.8	170.4	77.2	0	0	0	0	110.9	E547 E548 K549	T545-E547 WeakPolarHBondContact CB-OE2 3.38Å; T545-E547 PolarHBondContact O-N 3.48Å; T545-E547 PolarHBondContact OG1-N 2.9Å; T545-E547 PolarHBondContact OG1-OE2 2.88Å; T545-E548 PolarHBondContact N-OE2 3.16Å; T545-E548 PolarHBondContact O-N 3.01Å; T545-E548 WeakPolarHBondContact OG1-CG 3.48Å; T545-E548 PolarHBondContact OG1-N 3.44Å; T545-K549 PolarHBondContact O-N 3.3Å; T545-K549 VanDerWaalsContact O-N 3.1Å
546	S	82.5	Confident	85.4	Confident	93 Å²	93	67.9 Å²	67.9	65%	0.65	34%	0.341	S	S	*	.	H	α-helix	trans	-60.6	-35.7	175.1	-54.6	0	0	0	0	111.6	K549 E550	S546-K549 PolarHBondContact O-N 2.81Å; S546-E550 PolarHBondContact O-N 3.22Å; S546-E550 VanDerWaalsContact O-N 3.09Å
547	E	82.4	Confident	84.8	Confident	125 Å²	125	70.6 Å²	70.6	58%	0.584	36%	0.356	S	S	*	.	H	α-helix	trans	-67.4	-42.8	177	-50.8	93.8	-171.8	0	0	111.7	T545 K549 E550 I551	T545-E547 WeakPolarHBondContact CB-OE2 3.38Å; T545-E547 PolarHBondContact O-N 3.48Å; T545-E547 PolarHBondContact OG1-N 2.9Å; T545-E547 PolarHBondContact OG1-OE2 2.88Å; E547-K549 VanDerWaalsContact C-N 3.25Å; E547-K549 PolarHBondContact O-N 3.32Å; E547-E550 PolarHBondContact O-N 3.32Å; E547-E550 VanDerWaalsContact O-N 3.13Å; E547-I551 WeakPolarHBondContact O-CG1 3.28Å; E547-I551 PolarHBondContact O-N 3.44Å
548	E	83.7	Confident	84.4	Confident	29 Å²	29	70.5 Å²	70.5	14%	0.136	36%	0.355	C	S	.	.	H	α-helix	trans	-60.7	-36.5	176.2	-71.4	171.7	160.2	0	0	111.7	M544 T545 I551 L552 I643 K646	M544-E548 WeakPolarHBondContact CA-OE2 3.46Å; M544-E548 HydrophobicContact CG-CB 3.62Å; T545-E548 PolarHBondContact N-OE2 3.16Å; T545-E548 PolarHBondContact O-N 3.01Å; T545-E548 WeakPolarHBondContact OG1-CG 3.48Å; T545-E548 PolarHBondContact OG1-N 3.44Å; E548-I551 PolarHBondContact O-N 2.82Å; E548-L552 PolarHBondContact O-N 3.49Å; E548-L552 VanDerWaalsContact O-N 3.12Å; E548-I643 HydrophobicContact CB-CD1 4Å; E548-I643 HydrophobicContact CB-CG1 3.94Å; E548-I643 HydrophobicContact CG-CD1 4.25Å; E548-I643 HydrophobicContact CG-CG1 3.87Å; E548-K646 IonicContact OE1-NZ 2.72Å; E548-K646 PolarHBondContact OE1-NZ 2.54Å; E548-K646 IonicContact OE2-NZ 3.54Å; E548-K646 PolarHBondContact OE2-NZ 3.27Å
549	K	82.1	Confident	84.1	Confident	58 Å²	58	68.5 Å²	68.5	25%	0.252	34%	0.344	S	S	.	.	H	α-helix	trans	-66	-41.7	174.3	-169.3	-178.7	176.6	-172.2	0	111.8	M544 T545 S546 E547 I551 L552 I553	M544-K549 HydrophobicContact CG-CB 4.49Å; M544-K549 HydrophobicContact SD-CB 3.73Å; M544-K549 HydrophobicContact SD-CG 4.19Å; T545-K549 PolarHBondContact O-N 3.3Å; T545-K549 VanDerWaalsContact O-N 3.1Å; S546-K549 PolarHBondContact O-N 2.81Å; E547-K549 VanDerWaalsContact C-N 3.25Å; E547-K549 PolarHBondContact O-N 3.32Å; K549-I551 VanDerWaalsContact C-N 3.32Å; K549-L552 WeakPolarHBondContact O-CB 3.29Å; K549-L552 PolarHBondContact O-N 3.16Å; K549-I553 HydrophobicContact CG-CD1 4.11Å; K549-I553 WeakPolarHBondContact O-CG1 3.37Å; K549-I553 PolarHBondContact O-N 3.15Å
550	E	82.6	Confident	83.9	Confident	135 Å²	135	65.2 Å²	65.2	63%	0.631	33%	0.326	S	S	*	.	H	α-helix	trans	-65.3	-36	175.4	-74.2	178.5	-174.6	0	0	112.1	S546 E547 I553 R554	S546-E550 PolarHBondContact O-N 3.22Å; S546-E550 VanDerWaalsContact O-N 3.09Å; E547-E550 PolarHBondContact O-N 3.32Å; E547-E550 VanDerWaalsContact O-N 3.13Å; E550-I553 PolarHBondContact O-N 2.59Å; E550-R554 VanDerWaalsContact O-CB 3.3Å; E550-R554 WeakPolarHBondContact O-CB 3.33Å; E550-R554 PolarHBondContact O-N 3.45Å
551	I	83.8	Confident	83.9	Confident	52 Å²	52	65 Å²	65	27%	0.267	32%	0.323	S	S	.	.	H	α-helix	trans	-61.2	-45.9	174.3	-68.4	166.1	0	0	0	110.8	E547 E548 K549 I553 R554 D555 Q639 I643	E547-I551 WeakPolarHBondContact O-CG1 3.28Å; E547-I551 PolarHBondContact O-N 3.44Å; E548-I551 PolarHBondContact O-N 2.82Å; K549-I551 VanDerWaalsContact C-N 3.32Å; I551-I553 VanDerWaalsContact C-N 3.34Å; I551-I553 PolarHBondContact O-N 2.95Å; I551-R554 PolarHBondContact O-N 3.16Å; I551-D555 PolarHBondContact O-N 2.85Å; I551-Q639 HydrophobicContact CG2-CB 4.5Å; I551-I643 HydrophobicContact CB-CD1 3.86Å; I551-I643 HydrophobicContact CD1-CD1 4.32Å; I551-I643 HydrophobicContact CG2-CD1 3.64Å
552	L	82.8	Confident	83.9	Confident	7 Å²	7	64.5 Å²	64.5	4%	0.037	32%	0.321	C	S	.	.	H	α-helix	trans	-59.8	-42.2	174.1	-90.4	152.6	0	0	0	112.3	M544 E548 K549 I562 L640 I643	M544-L552 HydrophobicContact CE-CD1 3.76Å; M544-L552 HydrophobicContact SD-CD1 3.77Å; E548-L552 PolarHBondContact O-N 3.49Å; E548-L552 VanDerWaalsContact O-N 3.12Å; K549-L552 WeakPolarHBondContact O-CB 3.29Å; K549-L552 PolarHBondContact O-N 3.16Å; L552-I562 HydrophobicContact CD2-CD1 4.17Å; L552-L640 HydrophobicContact CD2-CD1 3.94Å; L552-L640 HydrophobicContact CG-CD1 4.36Å; L552-I643 HydrophobicContact CD1-CG2 3.55Å; L552-I643 HydrophobicContact CG-CG2 4.18Å
553	I	85.1	Confident	84.2	Confident	57 Å²	57	56.6 Å²	56.6	29%	0.292	29%	0.287	S	S	.	.	H	α-helix	trans	-70.3	-33.5	-180	-69.8	167.5	0	0	0	111.9	L515 A518 K549 E550 I551 L559	L515-I553 HydrophobicContact CD2-CD1 4.36Å; L515-I553 HydrophobicContact CD2-CG1 3.97Å; A518-I553 HydrophobicContact CB-CG1 4.42Å; A518-I553 HydrophobicContact CB-CG2 4.3Å; K549-I553 HydrophobicContact CG-CD1 4.11Å; K549-I553 WeakPolarHBondContact O-CG1 3.37Å; K549-I553 PolarHBondContact O-N 3.15Å; E550-I553 PolarHBondContact O-N 2.59Å; I551-I553 VanDerWaalsContact C-N 3.34Å; I551-I553 PolarHBondContact O-N 2.95Å; I553-L559 HydrophobicContact CG1-CD2 4.46Å
554	R	85.6	Confident	85.2	Confident	221 Å²	221	54.3 Å²	54.3	83%	0.834	26%	0.263	S	S	*	.	H	α-helix	trans	-66.1	-37.4	-179.3	-174	177.9	175.7	-168.6	-1.5	112.1	E550 I551 K556	E550-R554 VanDerWaalsContact O-CB 3.3Å; E550-R554 WeakPolarHBondContact O-CB 3.33Å; E550-R554 PolarHBondContact O-N 3.45Å; I551-R554 PolarHBondContact O-N 3.16Å; R554-K556 PolarHBondContact O-N 2.86Å
555	D	84.4	Confident	85.8	Confident	56 Å²	56	52.9 Å²	52.9	30%	0.299	26%	0.256	S	S	.	.			trans	-88.1	79.5	173.6	-166.8	-20.9	0	0	0	110.7	I551 N557 A558 L559	I551-D555 PolarHBondContact O-N 2.85Å; D555-N557 PolarHBondContact O-N 3.49Å; D555-N557 PolarHBondContact OD1-N 2.86Å; D555-A558 HydrophobicContact CB-CB 3.92Å; D555-A558 PolarHBondContact O-N 2.75Å; D555-A558 WeakPolarHBondContact OD1-CB 3.46Å; D555-A558 PolarHBondContact OD1-N 2.89Å; D555-L559 WeakPolarHBondContact O-CB 3.37Å; D555-L559 PolarHBondContact O-N 2.98Å
556	K	83.7	Confident	86.3	Confident	115 Å²	115	50.3 Å²	50.3	50%	0.5	24%	0.24	S	C	.	.	H	α-helix	trans	-54.4	-38.9	-179.4	-73.8	-165.9	169.2	-155.5	0	113	D520 R554 L559 Q560	D520-K556 IonicContact OD2-NZ 2.79Å; R554-K556 PolarHBondContact O-N 2.86Å; K556-L559 PolarHBondContact O-N 2.77Å; K556-Q560 WeakPolarHBondContact O-CB 3.32Å; K556-Q560 PolarHBondContact O-N 3.21Å
557	N	84.6	Confident	86.9	Confident	58 Å²	58	46.1 Å²	46.1	31%	0.31	21%	0.21	S	C	.	.	H	α-helix	trans	-69.1	-43.4	-178.9	-80.2	-25.4	0	0	0	111.6	D555 N561 F661	D555-N557 PolarHBondContact O-N 3.49Å; D555-N557 PolarHBondContact OD1-N 2.86Å; N557-N561 WeakPolarHBondContact O-CB 3.43Å; N557-N561 PolarHBondContact O-N 3.49Å; N557-N561 PolarHBondContact O-ND2 3.3Å; N557-F661 HydrophobicContact CB-CB 4.42Å
558	A	84.8	Confident	87.6	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-62.5	-47.2	174	0	0	0	0	0	111.4	D555 Q560 N561 I562 L640 F661	D555-A558 HydrophobicContact CB-CB 3.92Å; D555-A558 PolarHBondContact O-N 2.75Å; D555-A558 WeakPolarHBondContact OD1-CB 3.46Å; D555-A558 PolarHBondContact OD1-N 2.89Å; A558-Q560 PolarHBondContact O-N 2.88Å; A558-N561 PolarHBondContact O-N 2.86Å; A558-I562 VanDerWaalsContact O-CG1 3.3Å; A558-I562 WeakPolarHBondContact O-CG1 3.33Å; A558-I562 PolarHBondContact O-N 3.19Å; A558-L640 HydrophobicContact CB-CD2 3.75Å; A558-F661 VanDerWaalsContact CA-CD2 3.48Å; A558-F661 HydrophobicContact CB-CD2 3.38Å; A558-F661 HydrophobicContact CB-CE2 3.58Å; A558-F661 HydrophobicContact CB-CG 4.16Å; A558-F661 HydrophobicContact CB-CZ 4.48Å
559	L	87.8	Confident	88.1	Confident	3 Å²	3	42.1 Å²	42.1	2%	0.016	20%	0.198	C	C	.	.	H	α-helix	trans	-59.3	-48.8	178.9	-176.5	61.4	0	0	0	111.3	L515 A518 A519 I553 D555 K556 N561 I562 I563	L515-L559 HydrophobicContact CB-CD1 4.22Å; L515-L559 HydrophobicContact CD2-CD1 4.01Å; L515-L559 HydrophobicContact CD2-CD2 4.41Å; L515-L559 HydrophobicContact CG-CD1 4.48Å; A518-L559 HydrophobicContact CB-CD2 4.07Å; A519-L559 HydrophobicContact CB-CD2 4.36Å; A519-L559 HydrophobicContact CB-CG 4.32Å; I553-L559 HydrophobicContact CG1-CD2 4.46Å; D555-L559 WeakPolarHBondContact O-CB 3.37Å; D555-L559 PolarHBondContact O-N 2.98Å; K556-L559 PolarHBondContact O-N 2.77Å; L559-N561 VanDerWaalsContact C-N 3.32Å; L559-N561 PolarHBondContact O-N 3.15Å; L559-I562 PolarHBondContact O-N 3.48Å; L559-I563 HydrophobicContact CD1-CD1 4.37Å; L559-I563 HydrophobicContact CD1-CG1 3.94Å; L559-I563 HydrophobicContact CG-CG1 4.24Å; L559-I563 WeakPolarHBondContact O-CB 3.11Å; L559-I563 VanDerWaalsContact O-CG1 3.22Å; L559-I563 WeakPolarHBondContact O-CG1 3.34Å; L559-I563 PolarHBondContact O-N 2.9Å
560	Q	87.3	Confident	88.6	Confident	31 Å²	31	40.5 Å²	40.5	15%	0.145	20%	0.197	C	C	.	.	H	α-helix	trans	-60.3	-41.7	179.4	-166.2	178.4	23.9	0	0	111.5	K556 A558 I563 L564 V666	K556-Q560 WeakPolarHBondContact O-CB 3.32Å; K556-Q560 PolarHBondContact O-N 3.21Å; A558-Q560 PolarHBondContact O-N 2.88Å; Q560-I563 PolarHBondContact O-N 3.46Å; Q560-L564 HydrophobicContact CG-CD1 3.85Å; Q560-L564 HydrophobicContact CG-CG 4.25Å; Q560-L564 WeakPolarHBondContact O-CB 3.42Å; Q560-L564 WeakPolarHBondContact O-CG 3.48Å; Q560-L564 PolarHBondContact O-N 3.16Å; Q560-V666 VanDerWaalsContact NE2-CG2 3.29Å
561	N	87.8	Confident	89.3	Confident	5 Å²	5	34.5 Å²	34.5	3%	0.027	17%	0.17	C	C	.	.	H	α-helix	trans	-62	-47.7	174.9	-88.5	-97.5	0	0	0	112.4	N557 A558 L559 I563 L564 Y565 Q589 F661 K662 I664	N557-N561 WeakPolarHBondContact O-CB 3.43Å; N557-N561 PolarHBondContact O-N 3.49Å; N557-N561 PolarHBondContact O-ND2 3.3Å; A558-N561 PolarHBondContact O-N 2.86Å; L559-N561 VanDerWaalsContact C-N 3.32Å; L559-N561 PolarHBondContact O-N 3.15Å; N561-I563 VanDerWaalsContact C-N 3.33Å; N561-I563 PolarHBondContact O-N 2.84Å; N561-L564 PolarHBondContact O-N 3.27Å; N561-Y565 PolarHBondContact O-N 3.14Å; N561-Y565 VanDerWaalsContact O-N 3.15Å; N561-Q589 HydrophobicContact CB-CG 4.35Å; N561-Q589 VanDerWaalsContact O-CG 3.31Å; N561-Q589 WeakPolarHBondContact O-CG 3.26Å; N561-Q589 PolarHBondContact OD1-NE2 2.82Å; N561-F661 HydrophobicContact CB-CB 4.38Å; N561-F661 HydrophobicContact CB-CD1 3.6Å; N561-F661 HydrophobicContact CB-CE1 4.23Å; N561-F661 HydrophobicContact CB-CG 4.22Å; N561-K662 PolarHBondContact ND2-O 3.04Å; N561-I664 WeakPolarHBondContact OD1-CD1 3.24Å
562	I	88.9	Confident	89.9	Confident	4 Å²	4	34.1 Å²	34.1	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-61	-45.1	179.9	-67.8	163.2	0	0	0	110.4	L552 A558 L559 Y565 H566 L627 Y629 L644	L552-I562 HydrophobicContact CD2-CD1 4.17Å; A558-I562 VanDerWaalsContact O-CG1 3.3Å; A558-I562 WeakPolarHBondContact O-CG1 3.33Å; A558-I562 PolarHBondContact O-N 3.19Å; L559-I562 PolarHBondContact O-N 3.48Å; I562-Y565 WeakPolarHBondContact O-CB 3.41Å; I562-Y565 PolarHBondContact O-N 2.81Å; I562-H566 PolarHBondContact O-CE1 2.92Å; I562-H566 PolarHBondContact O-ND1 3.13Å; I562-L627 HydrophobicContact CG2-CD1 4.2Å; I562-L627 HydrophobicContact CG2-CD2 4.08Å; I562-L627 HydrophobicContact CG2-CG 4.29Å; I562-Y629 HydrophobicContact CG1-CD2 4.21Å; I562-Y629 HydrophobicContact CG1-CE2 4.1Å; I562-L644 HydrophobicContact CD1-CD2 3.93Å
563	I	91.8	Very high	90.5	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-71.5	-40.8	-178	-61.2	-64.1	0	0	0	111.5	F512 L515 L516 L521 L559 Q560 N561 Y565 H566	F512-I563 HydrophobicContact CD2-CD1 3.98Å; F512-I563 HydrophobicContact CE2-CD1 3.47Å; F512-I563 VanDerWaalsContact CE2-CD1 3.47Å; F512-I563 HydrophobicContact CZ-CD1 4.28Å; L515-I563 HydrophobicContact CB-CD1 4.06Å; L516-I563 HydrophobicContact CD2-CG2 3.26Å; L516-I563 HydrophobicContact CG-CG2 3.96Å; L521-I563 HydrophobicContact CD1-CB 4.21Å; L521-I563 HydrophobicContact CD1-CG2 3.5Å; L521-I563 VanDerWaalsContact CD1-CG2 3.5Å; L559-I563 HydrophobicContact CD1-CD1 4.37Å; L559-I563 HydrophobicContact CD1-CG1 3.94Å; L559-I563 HydrophobicContact CG-CG1 4.24Å; L559-I563 WeakPolarHBondContact O-CB 3.11Å; L559-I563 VanDerWaalsContact O-CG1 3.22Å; L559-I563 WeakPolarHBondContact O-CG1 3.34Å; L559-I563 PolarHBondContact O-N 2.9Å; Q560-I563 PolarHBondContact O-N 3.46Å; N561-I563 VanDerWaalsContact C-N 3.33Å; N561-I563 PolarHBondContact O-N 2.84Å; I563-Y565 PolarHBondContact O-N 3.12Å; I563-H566 WeakPolarHBondContact O-CB 3.41Å; I563-H566 PolarHBondContact O-N 3.35Å
564	L	92.1	Very high	90.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.7	-19.5	176.7	-72.8	177.2	0	0	0	113.2	L521 Q560 N561 H566 L567 T588 Q589 I664 V666	L521-L564 HydrophobicContact CD1-CD2 3.96Å; L521-L564 HydrophobicContact CD1-CG 4.35Å; L521-L564 HydrophobicContact CD2-CD2 3.92Å; Q560-L564 HydrophobicContact CG-CD1 3.85Å; Q560-L564 HydrophobicContact CG-CG 4.25Å; Q560-L564 WeakPolarHBondContact O-CB 3.42Å; Q560-L564 WeakPolarHBondContact O-CG 3.48Å; Q560-L564 PolarHBondContact O-N 3.16Å; N561-L564 PolarHBondContact O-N 3.27Å; L564-H566 PolarHBondContact O-N 3.08Å; L564-L567 HydrophobicContact CD2-CD2 4.23Å; L564-L567 PolarHBondContact O-N 3.03Å; L564-T588 HydrophobicContact CD2-CG2 3.82Å; L564-Q589 HydrophobicContact CB-CB 3.82Å; L564-Q589 PolarHBondContact O-N 2.93Å; L564-I664 HydrophobicContact CD1-CB 3.82Å; L564-I664 HydrophobicContact CD1-CD1 4.07Å; L564-I664 HydrophobicContact CD1-CG1 4.47Å; L564-I664 HydrophobicContact CD1-CG2 3.79Å; L564-V666 HydrophobicContact CD1-CG2 4.21Å
565	Y	94	Very high	91.1	Very high	5 Å²	5	24.3 Å²	24.3	2%	0.02	13%	0.127	C	C	.	.	H	α-helix	trans	-70.5	-23.7	171.4	-172.4	-110.5	0	0	0	112.3	N561 I562 I563 L567 T587 K592 N605 L628 Y629 P630	N561-Y565 PolarHBondContact O-N 3.14Å; N561-Y565 VanDerWaalsContact O-N 3.15Å; I562-Y565 WeakPolarHBondContact O-CB 3.41Å; I562-Y565 PolarHBondContact O-N 2.81Å; I563-Y565 PolarHBondContact O-N 3.12Å; Y565-L567 VanDerWaalsContact C-N 3.28Å; Y565-T587 HydrophobicContact CD2-CG2 3.76Å; Y565-T587 HydrophobicContact CE2-CG2 3.86Å; Y565-T587 HydrophobicContact CG-CG2 4.45Å; Y565-T587 VanDerWaalsContact O-CG2 3.24Å; Y565-T587 WeakPolarHBondContact O-CG2 3.48Å; Y565-K592 WeakPolarHBondContact CE2-O 3.4Å; Y565-K592 PolarHBondContact OH-O 3.21Å; Y565-N605 PolarHBondContact OH-ND2 3.37Å; Y565-L628 HydrophobicContact CD1-CB 3.88Å; Y565-L628 HydrophobicContact CE1-CB 3.93Å; Y565-Y629 VanDerWaalsContact CE1-C 3.5Å; Y565-P630 HydrophobicContact CD2-CB 3.91Å; Y565-P630 HydrophobicContact CD2-CG 4.07Å; Y565-P630 HydrophobicContact CE2-CB 3.78Å; Y565-P630 HydrophobicContact CE2-CG 4.42Å; Y565-P630 HydrophobicContact CG-CB 4.41Å; Y565-P630 HydrophobicContact CG-CG 4.18Å
566	H	95.6	Very high	91.5	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-5.2	174.9	-65.5	74.2	0	0	0	112.8	F512 L533 F534 I562 I563 L564 L628	F512-H566 HydrophobicContact CZ-CB 4.12Å; L533-H566 CarbonylContact C-O 3.27Å; L533-H566 WeakPolarHBondContact CA-O 3.3Å; F534-H566 HydrophobicContact CB-CB 4.3Å; F534-H566 WeakPolarHBondContact CD2-O 3.36Å; F534-H566 PolarHBondContact N-O 3.32Å; F534-H566 WeakPolarHBondContact O-CB 3.43Å; F534-H566 PolarHBondContact O-CD2 3.4Å; F534-H566 VanDerWaalsContact O-CD2 3.26Å; I562-H566 PolarHBondContact O-CE1 2.92Å; I562-H566 PolarHBondContact O-ND1 3.13Å; I563-H566 WeakPolarHBondContact O-CB 3.41Å; I563-H566 PolarHBondContact O-N 3.35Å; L564-H566 PolarHBondContact O-N 3.08Å; H566-L628 PolarHBondContact CE1-N 3.25Å; H566-L628 PolarHBondContact CE1-O 2.87Å; H566-L628 WeakPolarHBondContact NE2-CB 3.48Å; H566-L628 PolarHBondContact NE2-N 3.45Å
567	L	95	Very high	92	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.021	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.3	-178.2	-174.5	69.6	0	0	0	109.6	L524 W531 L533 L564 Y565 T587 T588	L524-L567 HydrophobicContact CD1-CD2 3.89Å; L524-L567 HydrophobicContact CD2-CD1 4.33Å; L524-L567 HydrophobicContact CD2-CD2 3.54Å; L524-L567 HydrophobicContact CG-CD2 4.42Å; W531-L567 HydrophobicContact CB-CD1 3.9Å; W531-L567 HydrophobicContact CD2-CD1 4.1Å; W531-L567 HydrophobicContact CD2-CD2 4.45Å; W531-L567 HydrophobicContact CD2-CG 4.44Å; W531-L567 HydrophobicContact CE3-CD1 3.83Å; W531-L567 HydrophobicContact CE3-CD2 3.9Å; W531-L567 HydrophobicContact CE3-CG 3.74Å; W531-L567 HydrophobicContact CG-CD1 4.16Å; W531-L567 HydrophobicContact CZ3-CD2 3.99Å; W531-L567 HydrophobicContact CZ3-CG 4.17Å; L533-L567 HydrophobicContact CB-CD1 4.42Å; L533-L567 HydrophobicContact CD1-CB 4.44Å; L533-L567 HydrophobicContact CD1-CD1 4.09Å; L564-L567 HydrophobicContact CD2-CD2 4.23Å; L564-L567 PolarHBondContact O-N 3.03Å; Y565-L567 VanDerWaalsContact C-N 3.28Å; L567-T587 CarbonylContact O-C 3.57Å; L567-T587 WeakPolarHBondContact O-CA 3.23Å; L567-T587 WeakPolarHBondContact O-CB 3.13Å; L567-T588 PolarHBondContact O-N 2.85Å; L567-T588 PolarHBondContact O-OG1 3.04Å
568	T	95.7	Very high	92.4	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.012	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.4	178.7	-64.8	0	0	0	0	109.3	T532 F572 L585	T532-T568 PolarHBondContact N-O 3.17Å; T532-T568 PolarHBondContact O-N 2.94Å; T568-F572 HydrophobicContact CG2-CD2 4.18Å; T568-F572 HydrophobicContact CG2-CE2 3.9Å; T568-L585 HydrophobicContact CG2-CB 4.05Å; T568-L585 HydrophobicContact CG2-CD1 4.13Å
569	P	94.2	Very high	92.7	Very high	69 Å²	69	23.3 Å²	23.3	45%	0.448	13%	0.13	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	134.6	174.6	28.8	-34	0	0	0	111	W531 F572 K586	W531-P569 HydrophobicContact CE3-CB 4.38Å; W531-P569 HydrophobicContact CZ3-CB 3.99Å; P569-F572 WeakPolarHBondContact O-CE2 3.43Å; P569-K586 WeakPolarHBondContact CD-O 3.42Å
570	G	94.1	Very high	92.9	Very high	23 Å²	23	25 Å²	25	24%	0.237	15%	0.147	C	C	.	.	S	Bend	trans	98.6	156.9	-172.4	0	0	0	0	0	113.1	D530 W531 T532	D530-G570 WeakPolarHBondContact O-CA 3.49Å; D530-G570 PolarHBondContact O-N 3.35Å; W531-G570 CarbonylContact C-O 3.06Å; T532-G570 PolarHBondContact N-O 3.18Å; T532-G570 PolarHBondContact OG1-O 3.44Å
571	V	96.4	Very high	93.2	Very high	10 Å²	10	26.2 Å²	26.2	6%	0.061	16%	0.157	C	C	.	.			trans	-99.2	113.6	177.6	-176.5	0	0	0	0	110	F460 Y462 D530 I573 M615 V620	F460-V571 HydrophobicContact CD1-CB 3.99Å; F460-V571 HydrophobicContact CD1-CG1 4.33Å; F460-V571 HydrophobicContact CE1-CB 3.62Å; F460-V571 HydrophobicContact CE1-CG1 3.86Å; F460-V571 HydrophobicContact CE1-CG2 3.9Å; F460-V571 HydrophobicContact CE2-CG1 4.09Å; F460-V571 HydrophobicContact CZ-CB 4.03Å; F460-V571 HydrophobicContact CZ-CG1 3.72Å; F460-V571 HydrophobicContact CZ-CG2 4.29Å; Y462-V571 PolarHBondContact OH-O 2.95Å; D530-V571 HydrophobicContact CB-CG2 3.91Å; V571-I573 HydrophobicContact CG1-CG2 4.21Å; V571-M615 HydrophobicContact CG1-CE 4.28Å; V571-V620 HydrophobicContact CG1-CB 3.98Å; V571-V620 HydrophobicContact CG1-CG1 3.81Å
572	F	96.4	Very high	93.6	Very high	44 Å²	44	29.2 Å²	29.2	19%	0.193	18%	0.176	C	C	.	.			trans	-119.9	102.8	-178.6	-63	-78.6	0	0	0	110.2	Y462 T532 T568 P569 F577 L585 H622	Y462-F572 HydrophobicContact CE1-CD1 4.05Å; T532-F572 HydrophobicContact CG2-CB 4.41Å; T532-F572 WeakPolarHBondContact OG1-CD2 3.32Å; T532-F572 PolarHBondContact OG1-N 2.81Å; T568-F572 HydrophobicContact CG2-CD2 4.18Å; T568-F572 HydrophobicContact CG2-CE2 3.9Å; P569-F572 WeakPolarHBondContact O-CE2 3.43Å; F572-F577 HydrophobicContact CB-CE1 4.43Å; F572-F577 HydrophobicContact CB-CZ 3.86Å; F572-F577 HydrophobicContact CD1-CE1 4.21Å; F572-F577 HydrophobicContact CD1-CZ 4.37Å; F572-F577 HydrophobicContact CG-CZ 4.49Å; F572-L585 HydrophobicContact CB-CD1 4.14Å; F572-L585 HydrophobicContact CD1-CD1 3.95Å; F572-L585 HydrophobicContact CD1-CD2 4.12Å; F572-L585 HydrophobicContact CD2-CD1 3.45Å; F572-L585 VanDerWaalsContact CD2-CD1 3.45Å; F572-L585 HydrophobicContact CE1-CD1 4.22Å; F572-L585 HydrophobicContact CE1-CD2 3.72Å; F572-L585 HydrophobicContact CE2-CD1 3.74Å; F572-L585 HydrophobicContact CE2-CD2 4.2Å; F572-L585 HydrophobicContact CG-CD1 3.57Å; F572-L585 HydrophobicContact CZ-CD1 4.12Å; F572-L585 HydrophobicContact CZ-CD2 3.76Å; F572-H622 PolarHBondContact O-CE1 3.07Å; F572-H622 PolarHBondContact O-NE2 2.65Å
573	I	95.6	Very high	93.8	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	19%	0.186	C	C	.	.			trans	-91.8	140.9	175.6	71.8	-174.7	0	0	0	109.9	Y462 C467 V571 K575 G576 D613 M615 V620	Y462-I573 HydrophobicContact CE2-CD1 4.34Å; Y462-I573 HydrophobicContact CE2-CG1 3.97Å; Y462-I573 PolarHBondContact OH-N 3.49Å; C467-I573 HydrophobicContact CB-CD1 3.65Å; V571-I573 HydrophobicContact CG1-CG2 4.21Å; I573-K575 VanDerWaalsContact C-N 3.3Å; I573-K575 PolarHBondContact O-N 3.35Å; I573-G576 PolarHBondContact O-N 2.79Å; I573-D613 WeakPolarHBondContact CA-OD1 3.3Å; I573-D613 WeakPolarHBondContact CB-OD1 3.44Å; I573-M615 HydrophobicContact CG2-CE 4.49Å; I573-M615 HydrophobicContact CG2-SD 3.74Å; I573-V620 HydrophobicContact CG2-CG2 4.21Å
574	G	92.5	Very high	94	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-57.1	-42.9	-178.5	0	0	0	0	0	112.1	G576 F577 E597 D613	G574-G576 PolarHBondContact O-N 3.36Å; G574-G576 VanDerWaalsContact O-N 3.12Å; G574-F577 WeakPolarHBondContact O-CB 3.5Å; G574-F577 PolarHBondContact O-N 2.93Å; G574-E597 WeakPolarHBondContact CA-OE2 3.38Å; G574-D613 PolarHBondContact N-OD1 3.31Å
575	K	91.3	Very high	94.1	Very high	76 Å²	76	36.9 Å²	36.9	33%	0.33	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-63.1	-17.2	176.4	-65.8	173.1	-168.2	170.9	0	114.8	E490 I573 F577 D613	E490-K575 WeakPolarHBondContact OE1-CD 3.43Å; E490-K575 VanDerWaalsContact OE1-CE 3.28Å; E490-K575 WeakPolarHBondContact OE1-CE 3.35Å; E490-K575 IonicContact OE1-NZ 2.79Å; E490-K575 PolarHBondContact OE1-NZ 2.8Å; E490-K575 IonicContact OE2-NZ 3.38Å; E490-K575 PolarHBondContact OE2-NZ 2.92Å; I573-K575 VanDerWaalsContact C-N 3.3Å; I573-K575 PolarHBondContact O-N 3.35Å; K575-F577 VanDerWaalsContact C-N 3.3Å; K575-D613 WeakPolarHBondContact CG-OD2 3.49Å; K575-D613 PolarHBondContact N-OD2 3.07Å
576	G	91.7	Very high	94.2	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.01	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-81	-12	175.4	0	0	0	0	0	113.3	Y462 I573 G574	Y462-G576 WeakPolarHBondContact CB-O 3.3Å; Y462-G576 VanDerWaalsContact CD2-CA 3.5Å; I573-G576 PolarHBondContact O-N 2.79Å; G574-G576 PolarHBondContact O-N 3.36Å; G574-G576 VanDerWaalsContact O-N 3.12Å
577	F	94.2	Very high	94.1	Very high	13 Å²	13	43.9 Å²	43.9	6%	0.057	25%	0.246	C	C	.	.	S	Bend	trans	-86.9	147.5	-179.8	-61.5	-40.9	0	0	0	112.7	F572 G574 K575 P579 N583 L595 E597 L602	F572-F577 HydrophobicContact CB-CE1 4.43Å; F572-F577 HydrophobicContact CB-CZ 3.86Å; F572-F577 HydrophobicContact CD1-CE1 4.21Å; F572-F577 HydrophobicContact CD1-CZ 4.37Å; F572-F577 HydrophobicContact CG-CZ 4.49Å; G574-F577 WeakPolarHBondContact O-CB 3.5Å; G574-F577 PolarHBondContact O-N 2.93Å; K575-F577 VanDerWaalsContact C-N 3.3Å; F577-P579 WeakPolarHBondContact O-CD 3.46Å; F577-N583 HydrophobicContact CD1-CB 4.31Å; F577-N583 VanDerWaalsContact CD1-CG 3.46Å; F577-N583 VanDerWaalsContact CD1-ND2 3.25Å; F577-N583 WeakPolarHBondContact CD1-ND2 3.4Å; F577-N583 HydrophobicContact CE1-CB 4.01Å; F577-N583 VanDerWaalsContact CG-ND2 3.34Å; F577-N583 WeakPolarHBondContact CG-ND2 3.4Å; F577-N583 HydrophobicContact CZ-CB 4.31Å; F577-L595 HydrophobicContact CE2-CB 3.8Å; F577-L595 HydrophobicContact CE2-CD1 3.88Å; F577-L595 HydrophobicContact CZ-CB 4.11Å; F577-L595 HydrophobicContact CZ-CD1 3.75Å; F577-E597 HydrophobicContact CB-CB 4.06Å; F577-L602 HydrophobicContact CD2-CD1 4.03Å; F577-L602 HydrophobicContact CE2-CD1 3.87Å
578	E	93	Very high	94	Very high	92 Å²	92	45.5 Å²	45.5	43%	0.43	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-67.4	124.7	167.4	-172.2	175.7	177.5	0	0	109.8	G580 V581	E578-G580 PolarHBondContact O-N 3.39Å; E578-V581 HydrophobicContact CB-CB 4.2Å; E578-V581 HydrophobicContact CB-CG2 3.85Å; E578-V581 HydrophobicContact CG-CG2 3.77Å; E578-V581 PolarHBondContact O-N 2.9Å
579	P	92	Very high	93.7	Very high	104 Å²	104	47 Å²	47	68%	0.675	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	132.2	-178.3	-27.3	35.1	0	0	0	112.3	F577 V581	F577-P579 WeakPolarHBondContact O-CD 3.46Å; P579-V581 VanDerWaalsContact C-N 3.28Å; P579-V581 PolarHBondContact O-N 3.33Å
580	G	91.3	Very high	93.4	Very high	37 Å²	37	45.3 Å²	45.3	38%	0.381	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	-10.7	178.1	0	0	0	0	0	115.5	E578 K596 E597	E578-G580 PolarHBondContact O-N 3.39Å; G580-K596 WeakPolarHBondContact O-CE 3.38Å; G580-K596 PolarHBondContact O-NZ 2.95Å; G580-K596 VanDerWaalsContact O-NZ 3.1Å; G580-E597 PolarHBondContact N-O 2.71Å
581	V	93.9	Very high	93.3	Very high	58 Å²	58	46 Å²	46	35%	0.352	26%	0.26	S	S	.	.			trans	-88.3	131.2	179.9	-179.2	0	0	0	0	110.8	E578 P579 N583	E578-V581 HydrophobicContact CB-CB 4.2Å; E578-V581 HydrophobicContact CB-CG2 3.85Å; E578-V581 HydrophobicContact CG-CG2 3.77Å; E578-V581 PolarHBondContact O-N 2.9Å; P579-V581 VanDerWaalsContact C-N 3.28Å; P579-V581 PolarHBondContact O-N 3.33Å; V581-N583 PolarHBondContact O-N 3Å; V581-N583 PolarHBondContact O-ND2 3.23Å
582	T	95.2	Very high	93.2	Very high	68 Å²	68	51.9 Å²	51.9	42%	0.417	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	112.9	174.3	-55.2	0	0	0	0	110.2	F594 L595	T582-F594 HydrophobicContact CG2-CB 3.91Å; T582-F594 HydrophobicContact CG2-CD1 3.97Å; T582-F594 HydrophobicContact CG2-CG 4.43Å; T582-L595 CarbonylContact C-O 3.52Å; T582-L595 WeakPolarHBondContact CA-O 3.44Å
583	N	94.7	Very high	93.1	Very high	44 Å²	44	49.8 Å²	49.8	24%	0.235	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	124.5	173.5	-64.4	-86.7	0	0	0	109.6	F577 V581 F594 L595	F577-N583 HydrophobicContact CD1-CB 4.31Å; F577-N583 VanDerWaalsContact CD1-CG 3.46Å; F577-N583 VanDerWaalsContact CD1-ND2 3.25Å; F577-N583 WeakPolarHBondContact CD1-ND2 3.4Å; F577-N583 HydrophobicContact CE1-CB 4.01Å; F577-N583 VanDerWaalsContact CG-ND2 3.34Å; F577-N583 WeakPolarHBondContact CG-ND2 3.4Å; F577-N583 HydrophobicContact CZ-CB 4.31Å; V581-N583 PolarHBondContact O-N 3Å; V581-N583 PolarHBondContact O-ND2 3.23Å; N583-F594 WeakPolarHBondContact O-CA 3.34Å; N583-L595 HydrophobicContact CB-CB 4.36Å; N583-L595 PolarHBondContact N-O 3.14Å; N583-L595 PolarHBondContact O-N 3.42Å
584	I	95.7	Very high	93.1	Very high	101 Å²	101	53.9 Å²	53.9	52%	0.518	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	109	179.7	-53	178.6	0	0	0	107.7	K592 F594	I584-K592 HydrophobicContact CG2-CB 4.01Å; I584-K592 HydrophobicContact CG2-CD 3.72Å; I584-K592 HydrophobicContact CG2-CG 3.93Å; I584-F594 HydrophobicContact CD1-CE1 4.1Å; I584-F594 HydrophobicContact CG1-CD1 3.88Å; I584-F594 HydrophobicContact CG1-CE1 3.91Å; I584-F594 HydrophobicContact CG2-CD1 4.45Å; I584-F594 HydrophobicContact CG2-CE1 4.1Å
585	L	94.6	Very high	93.2	Very high	21 Å²	21	53.9 Å²	53.9	11%	0.11	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	153.6	179.4	-53.9	-175.7	0	0	0	110.8	T568 F572 K592 I593 L595	T568-L585 HydrophobicContact CG2-CB 4.05Å; T568-L585 HydrophobicContact CG2-CD1 4.13Å; F572-L585 HydrophobicContact CB-CD1 4.14Å; F572-L585 HydrophobicContact CD1-CD1 3.95Å; F572-L585 HydrophobicContact CD1-CD2 4.12Å; F572-L585 HydrophobicContact CD2-CD1 3.45Å; F572-L585 VanDerWaalsContact CD2-CD1 3.45Å; F572-L585 HydrophobicContact CE1-CD1 4.22Å; F572-L585 HydrophobicContact CE1-CD2 3.72Å; F572-L585 HydrophobicContact CE2-CD1 3.74Å; F572-L585 HydrophobicContact CE2-CD2 4.2Å; F572-L585 HydrophobicContact CG-CD1 3.57Å; F572-L585 HydrophobicContact CZ-CD1 4.12Å; F572-L585 HydrophobicContact CZ-CD2 3.76Å; L585-K592 CarbonylContact O-C 3.55Å; L585-K592 VanDerWaalsContact O-CA 3.25Å; L585-K592 WeakPolarHBondContact O-CA 3.43Å; L585-I593 HydrophobicContact CB-CG2 3.8Å; L585-I593 PolarHBondContact N-O 3.13Å; L585-I593 PolarHBondContact O-N 3.07Å; L585-L595 HydrophobicContact CD1-CD1 3.39Å; L585-L595 HydrophobicContact CD1-CG 4.18Å; L585-L595 HydrophobicContact CG-CD1 4.28Å
586	K	94.4	Very high	93.4	Very high	148 Å²	148	53.7 Å²	53.7	64%	0.643	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99.7	116.6	174.5	-171.1	179.3	-179.7	-177.2	0	108.7	P569 G590	P569-K586 WeakPolarHBondContact CD-O 3.42Å; K586-G590 WeakPolarHBondContact CE-O 3.4Å; K586-G590 WeakPolarHBondContact CG-O 3.38Å
587	T	94.8	Very high	93.6	Very high	4 Å²	4	54.1 Å²	54.1	3%	0.025	29%	0.294	C	S	.	.			trans	-69.3	163.6	176.3	64.6	0	0	0	0	110.9	Y565 L567 Q589 G590 S591 I593	Y565-T587 HydrophobicContact CD2-CG2 3.76Å; Y565-T587 HydrophobicContact CE2-CG2 3.86Å; Y565-T587 HydrophobicContact CG-CG2 4.45Å; Y565-T587 VanDerWaalsContact O-CG2 3.24Å; Y565-T587 WeakPolarHBondContact O-CG2 3.48Å; L567-T587 CarbonylContact O-C 3.57Å; L567-T587 WeakPolarHBondContact O-CA 3.23Å; L567-T587 WeakPolarHBondContact O-CB 3.13Å; T587-Q589 PolarHBondContact O-N 3.16Å; T587-G590 WeakPolarHBondContact O-CA 3.49Å; T587-G590 PolarHBondContact O-N 2.68Å; T587-G590 PolarHBondContact OG1-N 3.34Å; T587-S591 WeakPolarHBondContact CG2-O 3.47Å; T587-S591 PolarHBondContact N-O 3Å; T587-S591 PolarHBondContact OG1-O 2.83Å; T587-I593 HydrophobicContact CG2-CB 3.67Å; T587-I593 HydrophobicContact CG2-CD1 4.41Å; T587-I593 HydrophobicContact CG2-CG2 3.63Å
588	T	91.6	Very high	93.5	Very high	39 Å²	39	55.9 Å²	55.9	24%	0.239	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.1	173.2	-53.9	0	0	0	0	111.6	L564 L567 G590	L564-T588 HydrophobicContact CD2-CG2 3.82Å; L567-T588 PolarHBondContact O-N 2.85Å; L567-T588 PolarHBondContact O-OG1 3.04Å; T588-G590 VanDerWaalsContact C-N 3.25Å; T588-G590 PolarHBondContact O-N 3.26Å
589	Q	90.6	Very high	93.4	Very high	32 Å²	32	58.4 Å²	58.4	15%	0.15	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-28.6	172.3	-173	-78.3	-24.1	0	0	112.7	N561 L564 T587 S591 I664	N561-Q589 HydrophobicContact CB-CG 4.35Å; N561-Q589 VanDerWaalsContact O-CG 3.31Å; N561-Q589 WeakPolarHBondContact O-CG 3.26Å; N561-Q589 PolarHBondContact OD1-NE2 2.82Å; L564-Q589 HydrophobicContact CB-CB 3.82Å; L564-Q589 PolarHBondContact O-N 2.93Å; T587-Q589 PolarHBondContact O-N 3.16Å; Q589-S591 PolarHBondContact OE1-OG 3.16Å; Q589-S591 VanDerWaalsContact OE1-OG 3.08Å; Q589-I664 HydrophobicContact CB-CD1 4.21Å; Q589-I664 HydrophobicContact CG-CD1 3.83Å; Q589-I664 WeakPolarHBondContact O-CD1 3.19Å
590	G	88.3	Confident	93.2	Very high	35 Å²	35	59.3 Å²	59.3	36%	0.361	32%	0.321	S	S	.	.	S	Bend	trans	112.1	-27	175.7	0	0	0	0	0	114.4	K586 T587 T588	K586-G590 WeakPolarHBondContact CE-O 3.4Å; K586-G590 WeakPolarHBondContact CG-O 3.38Å; T587-G590 WeakPolarHBondContact O-CA 3.49Å; T587-G590 PolarHBondContact O-N 2.68Å; T587-G590 PolarHBondContact OG1-N 3.34Å; T588-G590 VanDerWaalsContact C-N 3.25Å; T588-G590 PolarHBondContact O-N 3.26Å
591	S	91.3	Very high	93.2	Very high	37 Å²	37	59.8 Å²	59.8	26%	0.259	32%	0.317	S	S	.	.	S	Bend	trans	-69	157.2	172.1	-70.2	0	0	0	0	111.9	T587 Q589	T587-S591 WeakPolarHBondContact CG2-O 3.47Å; T587-S591 PolarHBondContact N-O 3Å; T587-S591 PolarHBondContact OG1-O 2.83Å; Q589-S591 PolarHBondContact OE1-OG 3.16Å; Q589-S591 VanDerWaalsContact OE1-OG 3.08Å
592	K	93.8	Very high	93.3	Very high	133 Å²	133	57 Å²	57	58%	0.578	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	144.6	178.6	-65.4	170.4	177.9	180	0	111.1	Y565 I584 L585 F594	Y565-K592 WeakPolarHBondContact CE2-O 3.4Å; Y565-K592 PolarHBondContact OH-O 3.21Å; I584-K592 HydrophobicContact CG2-CB 4.01Å; I584-K592 HydrophobicContact CG2-CD 3.72Å; I584-K592 HydrophobicContact CG2-CG 3.93Å; L585-K592 CarbonylContact O-C 3.55Å; L585-K592 VanDerWaalsContact O-CA 3.25Å; L585-K592 WeakPolarHBondContact O-CA 3.43Å; K592-F594 HydrophobicContact CB-CE2 4.46Å; K592-F594 HydrophobicContact CB-CZ 4.3Å
593	I	94.8	Very high	93.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.7	168.9	-166.7	164.2	0	0	0	108.5	F534 L585 T587 L595 V604 L628	F534-I593 HydrophobicContact CD2-CD1 3.67Å; F534-I593 HydrophobicContact CE2-CD1 3.61Å; F534-I593 HydrophobicContact CG-CD1 4.36Å; F534-I593 HydrophobicContact CZ-CD1 4.24Å; L585-I593 HydrophobicContact CB-CG2 3.8Å; L585-I593 PolarHBondContact N-O 3.13Å; L585-I593 PolarHBondContact O-N 3.07Å; T587-I593 HydrophobicContact CG2-CB 3.67Å; T587-I593 HydrophobicContact CG2-CD1 4.41Å; T587-I593 HydrophobicContact CG2-CG2 3.63Å; I593-L595 HydrophobicContact CG1-CD2 4.5Å; I593-V604 HydrophobicContact CD1-CG1 3.72Å; I593-V604 HydrophobicContact CG1-CG1 3.97Å; I593-L628 HydrophobicContact CD1-CD1 3.95Å
594	F	94.9	Very high	93.3	Very high	88 Å²	88	53.2 Å²	53.2	39%	0.386	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	118.7	-172.7	-58.9	-87.4	0	0	0	109.7	T582 N583 I584 K592 V604 N605	T582-F594 HydrophobicContact CG2-CB 3.91Å; T582-F594 HydrophobicContact CG2-CD1 3.97Å; T582-F594 HydrophobicContact CG2-CG 4.43Å; N583-F594 WeakPolarHBondContact O-CA 3.34Å; I584-F594 HydrophobicContact CD1-CE1 4.1Å; I584-F594 HydrophobicContact CG1-CD1 3.88Å; I584-F594 HydrophobicContact CG1-CE1 3.91Å; I584-F594 HydrophobicContact CG2-CD1 4.45Å; I584-F594 HydrophobicContact CG2-CE1 4.1Å; K592-F594 HydrophobicContact CB-CE2 4.46Å; K592-F594 HydrophobicContact CB-CZ 4.3Å; F594-V604 CarbonylContact O-C 3.24Å; F594-V604 WeakPolarHBondContact O-CA 3.41Å; F594-N605 WeakPolarHBondContact CD2-OD1 3.37Å; F594-N605 PolarHBondContact N-OD1 2.95Å; F594-N605 PolarHBondContact O-N 3.07Å
595	L	96.2	Very high	93.1	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	133.3	180	-57	-174.8	0	0	0	110.7	F534 F577 T582 N583 L585 I593 L602 L603 V604	F534-L595 HydrophobicContact CE1-CD1 4.49Å; F534-L595 HydrophobicContact CE1-CD2 3.64Å; F534-L595 HydrophobicContact CE2-CD2 4.47Å; F534-L595 HydrophobicContact CZ-CD1 3.84Å; F534-L595 HydrophobicContact CZ-CD2 3.47Å; F534-L595 VanDerWaalsContact CZ-CD2 3.47Å; F534-L595 HydrophobicContact CZ-CG 4.24Å; F577-L595 HydrophobicContact CE2-CB 3.8Å; F577-L595 HydrophobicContact CE2-CD1 3.88Å; F577-L595 HydrophobicContact CZ-CB 4.11Å; F577-L595 HydrophobicContact CZ-CD1 3.75Å; T582-L595 CarbonylContact C-O 3.52Å; T582-L595 WeakPolarHBondContact CA-O 3.44Å; N583-L595 HydrophobicContact CB-CB 4.36Å; N583-L595 PolarHBondContact N-O 3.14Å; N583-L595 PolarHBondContact O-N 3.42Å; L585-L595 HydrophobicContact CD1-CD1 3.39Å; L585-L595 HydrophobicContact CD1-CG 4.18Å; L585-L595 HydrophobicContact CG-CD1 4.28Å; I593-L595 HydrophobicContact CG1-CD2 4.5Å; L595-L602 HydrophobicContact CB-CD1 4.24Å; L595-L603 CarbonylContact C-O 3.36Å; L595-L603 WeakPolarHBondContact CA-O 3.34Å; L595-V604 HydrophobicContact CD2-CB 4.07Å; L595-V604 HydrophobicContact CD2-CG1 3.76Å; L595-V604 HydrophobicContact CD2-CG2 3.79Å
596	K	95.4	Very high	92.8	Very high	72 Å²	72	57.3 Å²	57.3	31%	0.313	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	123.8	-179.7	-176.1	179.6	172.1	150.2	0	110.2	G580 V598 L603	G580-K596 WeakPolarHBondContact O-CE 3.38Å; G580-K596 PolarHBondContact O-NZ 2.95Å; G580-K596 VanDerWaalsContact O-NZ 3.1Å; K596-V598 HydrophobicContact CD-CG2 4Å; K596-V598 VanDerWaalsContact CE-CG2 3.48Å; K596-V598 HydrophobicContact CG-CG2 3.84Å; K596-L603 HydrophobicContact CB-CB 4.45Å; K596-L603 PolarHBondContact N-O 2.66Å; K596-L603 WeakPolarHBondContact O-CB 3.42Å; K596-L603 WeakPolarHBondContact O-CD1 3.43Å; K596-L603 PolarHBondContact O-N 3.38Å
597	E	94.8	Very high	92.7	Very high	10 Å²	10	51 Å²	51	5%	0.047	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	123.8	174.9	-167.3	65.5	-159.4	0	0	109.7	G574 F577 G580 D600 T601 L602	G574-E597 WeakPolarHBondContact CA-OE2 3.38Å; F577-E597 HydrophobicContact CB-CB 4.06Å; G580-E597 PolarHBondContact N-O 2.71Å; E597-D600 VanDerWaalsContact OE1-CA 3.28Å; E597-D600 WeakPolarHBondContact OE1-CA 3.47Å; E597-T601 PolarHBondContact OE1-N 2.93Å; E597-T601 VanDerWaalsContact OE1-N 3.11Å; E597-L602 WeakPolarHBondContact OE2-CA 3.43Å; E597-L602 WeakPolarHBondContact OE2-CB 3.36Å; E597-L602 PolarHBondContact OE2-N 3.27Å
598	V	93.4	Very high	92.5	Very high	50 Å²	50	57.9 Å²	57.9	30%	0.303	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	124.2	177.2	-174.8	0	0	0	0	109.6	K596 D600 T601 L603	K596-V598 HydrophobicContact CD-CG2 4Å; K596-V598 VanDerWaalsContact CE-CG2 3.48Å; K596-V598 HydrophobicContact CG-CG2 3.84Å; V598-D600 VanDerWaalsContact C-N 3.32Å; V598-D600 PolarHBondContact O-N 2.94Å; V598-T601 PolarHBondContact N-O 3.44Å; V598-T601 WeakPolarHBondContact O-CB 3.38Å; V598-T601 PolarHBondContact O-N 2.75Å; V598-L603 HydrophobicContact CB-CD1 3.93Å; V598-L603 HydrophobicContact CG2-CD1 3.96Å
599	N	90.2	Very high	92.6	Very high	145 Å²	145	56.6 Å²	56.6	78%	0.775	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	50.3	179.7	-60.1	-19.7	0	0	0	112.5	T601	N599-T601 PolarHBondContact O-N 3.23Å; N599-T601 VanDerWaalsContact O-N 3.08Å; N599-T601 PolarHBondContact O-OG1 3.4Å
600	D	87.4	Confident	92.6	Very high	123 Å²	123	60.3 Å²	60.3	66%	0.658	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	26.4	-177.6	-53.8	-51.8	0	0	0	113.8	E597 V598	E597-D600 VanDerWaalsContact OE1-CA 3.28Å; E597-D600 WeakPolarHBondContact OE1-CA 3.47Å; V598-D600 VanDerWaalsContact C-N 3.32Å; V598-D600 PolarHBondContact O-N 2.94Å
601	T	92.3	Very high	92.8	Very high	47 Å²	47	62.2 Å²	62.2	29%	0.288	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.7	173	-52.1	0	0	0	0	109.3	E597 V598 N599 L603 K608	E597-T601 PolarHBondContact OE1-N 2.93Å; E597-T601 VanDerWaalsContact OE1-N 3.11Å; V598-T601 PolarHBondContact N-O 3.44Å; V598-T601 WeakPolarHBondContact O-CB 3.38Å; V598-T601 PolarHBondContact O-N 2.75Å; N599-T601 PolarHBondContact O-N 3.23Å; N599-T601 VanDerWaalsContact O-N 3.08Å; N599-T601 PolarHBondContact O-OG1 3.4Å; T601-L603 WeakPolarHBondContact O-CD1 3.45Å; T601-K608 HydrophobicContact CG2-CB 4.32Å; T601-K608 HydrophobicContact CG2-CG 4.43Å
602	L	94.9	Very high	93	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	123.6	173	-179.1	64.8	0	0	0	110.4	F577 L595 E597 V604 S609 H622	F577-L602 HydrophobicContact CD2-CD1 4.03Å; F577-L602 HydrophobicContact CE2-CD1 3.87Å; L595-L602 HydrophobicContact CB-CD1 4.24Å; E597-L602 WeakPolarHBondContact OE2-CA 3.43Å; E597-L602 WeakPolarHBondContact OE2-CB 3.36Å; E597-L602 PolarHBondContact OE2-N 3.27Å; L602-V604 HydrophobicContact CD2-CG2 4.45Å; L602-V604 HydrophobicContact CG-CG2 4.33Å; L602-S609 VanDerWaalsContact O-CB 3.31Å; L602-S609 WeakPolarHBondContact O-CB 3.08Å; L602-S609 PolarHBondContact O-N 2.88Å; L602-S609 PolarHBondContact O-OG 3.03Å; L602-H622 HydrophobicContact CD2-CB 4.15Å; L602-H622 VanDerWaalsContact CD2-CG 3.49Å; L602-H622 WeakPolarHBondContact CD2-ND1 3.48Å
603	L	94.8	Very high	93.1	Very high	32 Å²	32	56.8 Å²	56.8	17%	0.168	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	135.5	169.7	-67.7	81.2	0	0	0	110.1	L595 K596 V598 T601 L607 K608	L595-L603 CarbonylContact C-O 3.36Å; L595-L603 WeakPolarHBondContact CA-O 3.34Å; K596-L603 HydrophobicContact CB-CB 4.45Å; K596-L603 PolarHBondContact N-O 2.66Å; K596-L603 WeakPolarHBondContact O-CB 3.42Å; K596-L603 WeakPolarHBondContact O-CD1 3.43Å; K596-L603 PolarHBondContact O-N 3.38Å; V598-L603 HydrophobicContact CB-CD1 3.93Å; V598-L603 HydrophobicContact CG2-CD1 3.96Å; T601-L603 WeakPolarHBondContact O-CD1 3.45Å; L603-L607 CarbonylContact C-O 3.54Å; L603-L607 WeakPolarHBondContact CA-O 3.42Å; L603-K608 HydrophobicContact CG-CG 4.3Å
604	V	94.8	Very high	93.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	113.7	178.7	-172.8	0	0	0	0	108.2	F534 I593 F594 L595 L602 E606 L607 V624 L628	F534-V604 HydrophobicContact CD1-CB 4.39Å; F534-V604 HydrophobicContact CD1-CG1 3.85Å; F534-V604 HydrophobicContact CD1-CG2 3.7Å; F534-V604 HydrophobicContact CE1-CB 4.38Å; F534-V604 HydrophobicContact CE1-CG1 3.89Å; F534-V604 HydrophobicContact CE1-CG2 3.54Å; F534-V604 HydrophobicContact CG-CG1 4.33Å; F534-V604 HydrophobicContact CZ-CG1 4.42Å; I593-V604 HydrophobicContact CD1-CG1 3.72Å; I593-V604 HydrophobicContact CG1-CG1 3.97Å; F594-V604 CarbonylContact O-C 3.24Å; F594-V604 WeakPolarHBondContact O-CA 3.41Å; L595-V604 HydrophobicContact CD2-CB 4.07Å; L595-V604 HydrophobicContact CD2-CG1 3.76Å; L595-V604 HydrophobicContact CD2-CG2 3.79Å; L602-V604 HydrophobicContact CD2-CG2 4.45Å; L602-V604 HydrophobicContact CG-CG2 4.33Å; V604-E606 PolarHBondContact O-N 2.94Å; V604-L607 PolarHBondContact N-O 2.86Å; V604-L607 VanDerWaalsContact O-CB 3.25Å; V604-L607 WeakPolarHBondContact O-CB 3.45Å; V604-L607 PolarHBondContact O-N 3.24Å; V604-V624 HydrophobicContact CB-CG1 4.47Å; V604-V624 HydrophobicContact CG2-CG1 4.23Å; V604-L628 HydrophobicContact CG1-CD1 3.63Å; V604-L628 HydrophobicContact CG1-CD2 4.29Å
605	N	92.3	Very high	93.2	Very high	26 Å²	26	55.3 Å²	55.3	14%	0.139	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.4	45.3	-170.3	-65	-10.2	0	0	0	112	Y565 F594 L607	Y565-N605 PolarHBondContact OH-ND2 3.37Å; F594-N605 WeakPolarHBondContact CD2-OD1 3.37Å; F594-N605 PolarHBondContact N-OD1 2.95Å; F594-N605 PolarHBondContact O-N 3.07Å; N605-L607 PolarHBondContact O-N 3.03Å; N605-L607 VanDerWaalsContact O-N 3.13Å
606	E	88.9	Confident	93.2	Very high	182 Å²	182	55.3 Å²	55.3	85%	0.85	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.7	2.5	-176.3	-50.1	-176.3	159.6	0	0	115.6	V604	V604-E606 PolarHBondContact O-N 2.94Å
607	L	90.8	Very high	93.2	Very high	17 Å²	17	55.1 Å²	55.1	9%	0.089	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	131.4	173.1	-59.6	170.8	0	0	0	110.6	L603 V604 N605 S609 K626 L628 Y650	L603-L607 CarbonylContact C-O 3.54Å; L603-L607 WeakPolarHBondContact CA-O 3.42Å; V604-L607 PolarHBondContact N-O 2.86Å; V604-L607 VanDerWaalsContact O-CB 3.25Å; V604-L607 WeakPolarHBondContact O-CB 3.45Å; V604-L607 PolarHBondContact O-N 3.24Å; N605-L607 PolarHBondContact O-N 3.03Å; N605-L607 VanDerWaalsContact O-N 3.13Å; L607-S609 PolarHBondContact O-N 2.84Å; L607-K626 HydrophobicContact CD1-CB 4.34Å; L607-K626 HydrophobicContact CD1-CD 4.36Å; L607-K626 HydrophobicContact CD2-CD 4.07Å; L607-L628 HydrophobicContact CD1-CD2 3.92Å; L607-Y650 HydrophobicContact CD1-CD1 3.9Å; L607-Y650 HydrophobicContact CD1-CD2 3.9Å; L607-Y650 HydrophobicContact CD1-CE1 3.75Å; L607-Y650 HydrophobicContact CD1-CE2 3.8Å; L607-Y650 HydrophobicContact CD1-CG 3.99Å; L607-Y650 HydrophobicContact CD2-CD1 4.34Å; L607-Y650 HydrophobicContact CD2-CD2 4.19Å; L607-Y650 HydrophobicContact CD2-CG 3.93Å; L607-Y650 HydrophobicContact CG-CD2 4.2Å; L607-Y650 HydrophobicContact CG-CE2 4.46Å; L607-Y650 HydrophobicContact CG-CG 4.35Å
608	K	91.4	Very high	93.3	Very high	147 Å²	147	54.7 Å²	54.7	64%	0.639	28%	0.281	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.8	127.4	175.5	-64.7	-175.9	178	-174	0	110.3	T601 L603	T601-K608 HydrophobicContact CG2-CB 4.32Å; T601-K608 HydrophobicContact CG2-CG 4.43Å; L603-K608 HydrophobicContact CG-CG 4.3Å
609	S	92.8	Very high	93.4	Very high	13 Å²	13	52.3 Å²	52.3	9%	0.091	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-68.3	150.8	166	62	0	0	0	0	110.6	L602 L607 V623	L602-S609 VanDerWaalsContact O-CB 3.31Å; L602-S609 WeakPolarHBondContact O-CB 3.08Å; L602-S609 PolarHBondContact O-N 2.88Å; L602-S609 PolarHBondContact O-OG 3.03Å; L607-S609 PolarHBondContact O-N 2.84Å; S609-V623 CarbonylContact C-O 3.09Å; S609-V623 WeakPolarHBondContact CA-O 3.38Å; S609-V623 WeakPolarHBondContact CB-O 3.45Å
610	K	91.2	Very high	93.7	Very high	110 Å²	110	45.4 Å²	45.4	48%	0.478	23%	0.229	S	C	.	.	S	Bend	trans	-82.1	-43.1	173.9	-73.1	-174.9	176.2	176.4	0	111.2	D539 V623	D539-K610 IonicContact OD2-NZ 3.8Å; K610-V623 HydrophobicContact CB-CG1 4.34Å; K610-V623 PolarHBondContact N-O 3.22Å
611	E	93.6	Very high	94.2	Very high	75 Å²	75	39.6 Å²	39.6	35%	0.35	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	137.6	179	-66	165.1	-144.3	0	0	106.8	R508 I614 V623	R508-E611 IonicContact CZ-OE1 3.25Å; R508-E611 IonicContact NH1-OE1 2.8Å; R508-E611 PolarHBondContact NH1-OE1 3.45Å; R508-E611 IonicContact NH2-OE1 3.92Å; R508-E611 PolarHBondContact NH2-OE1 2.93Å; R508-E611 VanDerWaalsContact NH2-OE1 3.16Å; R508-E611 IonicContact NH2-OE2 2.66Å; R508-E611 PolarHBondContact NH2-OE2 2.86Å; E611-I614 HydrophobicContact CB-CD1 4.18Å; E611-V623 HydrophobicContact CB-CB 4.02Å; E611-V623 HydrophobicContact CB-CG2 3.95Å; E611-V623 PolarHBondContact O-N 2.87Å
612	S	94.6	Very high	94.4	Very high	37 Å²	37	37.3 Å²	37.3	26%	0.259	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	167	176.8	53.8	0	0	0	0	110.3	I614	S612-I614 VanDerWaalsContact C-N 3.32Å; S612-I614 PolarHBondContact O-N 3.3Å
613	D	94.9	Very high	94.5	Very high	19 Å²	19	37.3 Å²	37.3	10%	0.102	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.7	32.9	171.5	-56.9	-20.9	0	0	0	114.5	I573 G574 K575 M615 H622	I573-D613 WeakPolarHBondContact CA-OD1 3.3Å; I573-D613 WeakPolarHBondContact CB-OD1 3.44Å; G574-D613 PolarHBondContact N-OD1 3.31Å; K575-D613 WeakPolarHBondContact CG-OD2 3.49Å; K575-D613 PolarHBondContact N-OD2 3.07Å; D613-M615 PolarHBondContact O-N 3.22Å; D613-H622 PolarHBondContact N-CE1 3.23Å; D613-H622 PolarHBondContact N-ND1 3.42Å; D613-H622 VanDerWaalsContact N-ND1 3.14Å; D613-H622 IonicContact OD1-CE1 2.62Å; D613-H622 PolarHBondContact OD1-CE1 3.08Å; D613-H622 VanDerWaalsContact OD1-CE1 3.25Å; D613-H622 IonicContact OD1-ND1 3.9Å
614	I	95.9	Very high	94.5	Very high	31 Å²	31	35.9 Å²	35.9	16%	0.159	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	94.8	173.7	-55.8	177.2	0	0	0	108.5	K502 E611 S612 I621 V623	K502-I614 HydrophobicContact CD-CG2 4.38Å; K502-I614 HydrophobicContact CG-CG2 4.14Å; E611-I614 HydrophobicContact CB-CD1 4.18Å; S612-I614 VanDerWaalsContact C-N 3.32Å; S612-I614 PolarHBondContact O-N 3.3Å; I614-I621 HydrophobicContact CB-CB 4.01Å; I614-I621 HydrophobicContact CB-CG2 4.41Å; I614-I621 WeakPolarHBondContact CB-O 3.35Å; I614-I621 HydrophobicContact CD1-CG2 4.3Å; I614-I621 HydrophobicContact CG2-CB 4.44Å; I614-I621 PolarHBondContact N-O 3.24Å; I614-I621 PolarHBondContact O-N 3.04Å; I614-V623 HydrophobicContact CD1-CG2 3.73Å
615	M	95.9	Very high	94.2	Very high	26 Å²	26	38.3 Å²	38.3	13%	0.128	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	138.7	-177.7	-60.8	-55.6	-67	0	0	113.1	F460 N470 A495 V571 I573 D613 V620	F460-M615 HydrophobicContact CE2-CE 3.67Å; F460-M615 HydrophobicContact CZ-CE 3.96Å; N470-M615 HydrophobicContact CB-CG 3.77Å; A495-M615 HydrophobicContact CB-CB 4.14Å; V571-M615 HydrophobicContact CG1-CE 4.28Å; I573-M615 HydrophobicContact CG2-CE 4.49Å; I573-M615 HydrophobicContact CG2-SD 3.74Å; D613-M615 PolarHBondContact O-N 3.22Å; M615-V620 HydrophobicContact SD-CB 4.2Å; M615-V620 HydrophobicContact SD-CG2 3.97Å
616	T	96.9	Very high	94	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	163.1	172.4	69.7	0	0	0	0	110.2	R458 A495 K497 L499 K502 N618 G619 I621	R458-T616 VanDerWaalsContact CZ-O 3.25Å; R458-T616 PolarHBondContact NH1-O 2.92Å; R458-T616 PolarHBondContact NH2-O 2.78Å; A495-T616 WeakPolarHBondContact CB-O 3.07Å; K497-T616 CarbonylContact O-C 3.55Å; K497-T616 WeakPolarHBondContact O-CA 3.47Å; K497-T616 WeakPolarHBondContact O-CB 3.31Å; L499-T616 HydrophobicContact CD2-CG2 3.9Å; L499-T616 VanDerWaalsContact CD2-OG1 3.29Å; L499-T616 WeakPolarHBondContact CD2-OG1 3.38Å; L499-T616 HydrophobicContact CG-CG2 4.47Å; L499-T616 WeakPolarHBondContact CG-OG1 2.97Å; K502-T616 HydrophobicContact CB-CG2 4.03Å; K502-T616 HydrophobicContact CG-CG2 4.29Å; T616-N618 PolarHBondContact O-N 2.8Å; T616-G619 CarbonylContact C-O 3.5Å; T616-G619 PolarHBondContact N-O 2.84Å; T616-G619 PolarHBondContact O-N 3.46Å; T616-G619 WeakPolarHBondContact OG1-CA 3.35Å; T616-G619 PolarHBondContact OG1-N 3.38Å; T616-G619 PolarHBondContact OG1-O 2.97Å; T616-I621 HydrophobicContact CG2-CD1 4.03Å; T616-I621 HydrophobicContact CG2-CG1 4.39Å
617	T	95.9	Very high	94	Very high	67 Å²	67	31.8 Å²	31.8	41%	0.411	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-24.3	-176.7	52.9	0	0	0	0	113.3	R458 A495 K497 S498	R458-T617 PolarHBondContact NH1-O 2.88Å; A495-T617 HydrophobicContact CB-CG2 4.44Å; A495-T617 WeakPolarHBondContact O-CG2 3.5Å; K497-T617 PolarHBondContact O-N 3.35Å; S498-T617 VanDerWaalsContact CA-OG1 3.3Å; S498-T617 WeakPolarHBondContact CA-OG1 2.95Å; S498-T617 PolarHBondContact N-OG1 2.86Å
618	N	95.4	Very high	94.1	Very high	1 Å²	1	31 Å²	31	1%	0.005	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.6	19.3	-179.5	62.7	-19.4	0	0	0	113.5	S498 L499 L525 Q527 G529 W531 T616	S498-N618 WeakPolarHBondContact CA-OD1 3.17Å; L499-N618 WeakPolarHBondContact CG-OD1 3.42Å; L499-N618 PolarHBondContact N-OD1 3Å; L525-N618 VanDerWaalsContact C-ND2 3.33Å; L525-N618 PolarHBondContact O-ND2 3.31Å; Q527-N618 WeakPolarHBondContact O-CB 3.42Å; Q527-N618 PolarHBondContact O-ND2 2.94Å; G529-N618 CarbonylContact C-O 3.44Å; G529-N618 CarbonylContact O-C 3.58Å; G529-N618 WeakPolarHBondContact O-CA 3.33Å; G529-N618 WeakPolarHBondContact O-CB 3.33Å; W531-N618 PolarHBondContact N-O 2.72Å; T616-N618 PolarHBondContact O-N 2.8Å
619	G	95.9	Very high	94	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.1	-158.7	176.6	0	0	0	0	0	116	W531 T616	W531-G619 CarbonylContact O-C 3.51Å; W531-G619 WeakPolarHBondContact O-CA 3.41Å; T616-G619 CarbonylContact C-O 3.5Å; T616-G619 PolarHBondContact N-O 2.84Å; T616-G619 PolarHBondContact O-N 3.46Å; T616-G619 WeakPolarHBondContact OG1-CA 3.35Å; T616-G619 PolarHBondContact OG1-N 3.38Å; T616-G619 PolarHBondContact OG1-O 2.97Å
620	V	97.3	Very high	93.7	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	143	172.6	63.5	0	0	0	0	110.1	W531 T532 L533 V571 I573 M615	W531-V620 PolarHBondContact O-N 2.89Å; T532-V620 HydrophobicContact CG2-CG1 3.96Å; L533-V620 PolarHBondContact N-O 2.98Å; V571-V620 HydrophobicContact CG1-CB 3.98Å; V571-V620 HydrophobicContact CG1-CG1 3.81Å; I573-V620 HydrophobicContact CG2-CG2 4.21Å; M615-V620 HydrophobicContact SD-CB 4.2Å; M615-V620 HydrophobicContact SD-CG2 3.97Å
621	I	97.8	Very high	93.1	Very high	1 Å²	1	21 Å²	21	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	133.3	175.3	-71.2	168.3	0	0	0	110.1	L499 K502 L503 L533 V535 I614 T616 V623	L499-I621 HydrophobicContact CD2-CD1 3.85Å; L499-I621 HydrophobicContact CD2-CG1 3.47Å; L499-I621 VanDerWaalsContact CD2-CG1 3.47Å; K502-I621 HydrophobicContact CB-CD1 4.03Å; K502-I621 HydrophobicContact CG-CD1 4.05Å; L503-I621 HydrophobicContact CD2-CD1 4.42Å; L503-I621 HydrophobicContact CG-CD1 4.36Å; L533-I621 HydrophobicContact CB-CG1 4.39Å; L533-I621 HydrophobicContact CD2-CG1 4.47Å; L533-I621 WeakPolarHBondContact O-CA 3.09Å; V535-I621 HydrophobicContact CB-CG2 4.05Å; V535-I621 HydrophobicContact CG2-CB 4.41Å; V535-I621 HydrophobicContact CG2-CG1 4.17Å; V535-I621 HydrophobicContact CG2-CG2 3.55Å; I614-I621 HydrophobicContact CB-CB 4.01Å; I614-I621 HydrophobicContact CB-CG2 4.41Å; I614-I621 WeakPolarHBondContact CB-O 3.35Å; I614-I621 HydrophobicContact CD1-CG2 4.3Å; I614-I621 HydrophobicContact CG2-CB 4.44Å; I614-I621 PolarHBondContact N-O 3.24Å; I614-I621 PolarHBondContact O-N 3.04Å; T616-I621 HydrophobicContact CG2-CD1 4.03Å; T616-I621 HydrophobicContact CG2-CG1 4.39Å; I621-V623 HydrophobicContact CG2-CG2 4.19Å
622	H	97.4	Very high	92.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.4	167.4	-58.7	-55.8	0	0	0	109.3	L533 F534 V535 F572 L602 D613	L533-H622 PolarHBondContact O-N 3.24Å; F534-H622 CarbonylContact C-O 3.29Å; F534-H622 WeakPolarHBondContact CA-O 3.27Å; F534-H622 HydrophobicContact CD1-CB 3.72Å; F534-H622 HydrophobicContact CE1-CB 3.88Å; F534-H622 AromaticContact CE1-CD2 3.51Å; F534-H622 AromaticContact CZ-CD2 4Å; V535-H622 PolarHBondContact N-O 3.29Å; F572-H622 PolarHBondContact O-CE1 3.07Å; F572-H622 PolarHBondContact O-NE2 2.65Å; L602-H622 HydrophobicContact CD2-CB 4.15Å; L602-H622 VanDerWaalsContact CD2-CG 3.49Å; L602-H622 WeakPolarHBondContact CD2-ND1 3.48Å; D613-H622 PolarHBondContact N-CE1 3.23Å; D613-H622 PolarHBondContact N-ND1 3.42Å; D613-H622 VanDerWaalsContact N-ND1 3.14Å; D613-H622 IonicContact OD1-CE1 2.62Å; D613-H622 PolarHBondContact OD1-CE1 3.08Å; D613-H622 VanDerWaalsContact OD1-CE1 3.25Å; D613-H622 IonicContact OD1-ND1 3.9Å
623	V	96.9	Very high	91.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	122.8	-176.2	-176.8	0	0	0	0	110.1	F509 V535 T537 S609 K610 E611 I614 I621	F509-V623 HydrophobicContact CE1-CG1 3.96Å; F509-V623 HydrophobicContact CE1-CG2 4.09Å; F509-V623 HydrophobicContact CZ-CG1 4.36Å; F509-V623 HydrophobicContact CZ-CG2 3.72Å; V535-V623 WeakPolarHBondContact O-CA 3.42Å; T537-V623 HydrophobicContact CG2-CG1 3.53Å; S609-V623 CarbonylContact C-O 3.09Å; S609-V623 WeakPolarHBondContact CA-O 3.38Å; S609-V623 WeakPolarHBondContact CB-O 3.45Å; K610-V623 HydrophobicContact CB-CG1 4.34Å; K610-V623 PolarHBondContact N-O 3.22Å; E611-V623 HydrophobicContact CB-CB 4.02Å; E611-V623 HydrophobicContact CB-CG2 3.95Å; E611-V623 PolarHBondContact O-N 2.87Å; I614-V623 HydrophobicContact CD1-CG2 3.73Å; I621-V623 HydrophobicContact CG2-CG2 4.19Å
624	V	93.4	Very high	91.3	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	153.2	179.8	-64.1	0	0	0	0	111.5	F534 V535 P536 T537 V604 K626 L628	F534-V624 HydrophobicContact CD1-CG1 4.44Å; V535-V624 PolarHBondContact O-N 2.97Å; P536-V624 WeakPolarHBondContact CA-O 3.45Å; P536-V624 HydrophobicContact CB-CG2 4.1Å; T537-V624 PolarHBondContact N-O 3.09Å; V604-V624 HydrophobicContact CB-CG1 4.47Å; V604-V624 HydrophobicContact CG2-CG1 4.23Å; V624-K626 WeakPolarHBondContact CG2-O 3.37Å; V624-L628 HydrophobicContact CG2-CG 4.43Å
625	D	88.2	Confident	90.9	Very high	52 Å²	52	22 Å²	22	28%	0.278	13%	0.128	S	C	.	.	S	Bend	trans	-86.1	-16.4	-178.1	70.7	-23.5	0	0	0	113.5	A540	A540-D625 WeakPolarHBondContact CA-O 3.46Å; A540-D625 VanDerWaalsContact CB-O 3.25Å; A540-D625 WeakPolarHBondContact CB-O 3.43Å
626	K	87.9	Confident	90.2	Very high	67 Å²	67	21.6 Å²	21.6	29%	0.291	13%	0.13	S	C	.	.	S	Bend	trans	-135.6	157.7	-173.8	-66.8	170.4	-163.8	173.3	0	111	L607 V624 Y650	L607-K626 HydrophobicContact CD1-CB 4.34Å; L607-K626 HydrophobicContact CD1-CD 4.36Å; L607-K626 HydrophobicContact CD2-CD 4.07Å; V624-K626 WeakPolarHBondContact CG2-O 3.37Å; K626-Y650 HydrophobicContact CB-CD1 4.47Å; K626-Y650 HydrophobicContact CB-CE1 4.29Å; K626-Y650 HydrophobicContact CD-CD1 3.85Å; K626-Y650 HydrophobicContact CD-CE1 4.48Å
627	L	90.4	Very high	89.6	Confident	4 Å²	4	24.6 Å²	24.6	2%	0.021	15%	0.146	C	C	.	.			trans	-69.7	129.1	171.7	-169.3	69.4	0	0	0	110	P536 F541 I562 L644 L647 I648 Y650	P536-L627 HydrophobicContact CG-CD1 4.18Å; F541-L627 HydrophobicContact CE1-CD1 3.92Å; F541-L627 HydrophobicContact CZ-CD1 3.92Å; I562-L627 HydrophobicContact CG2-CD1 4.2Å; I562-L627 HydrophobicContact CG2-CD2 4.08Å; I562-L627 HydrophobicContact CG2-CG 4.29Å; L627-L644 HydrophobicContact CD2-CD2 4.39Å; L627-L647 HydrophobicContact CD2-CD1 3.9Å; L627-I648 HydrophobicContact CB-CG1 4.3Å; L627-I648 HydrophobicContact CD2-CD1 4.34Å; L627-Y650 WeakPolarHBondContact O-CE1 3.07Å; L627-Y650 PolarHBondContact O-OH 2.6Å; L627-Y650 VanDerWaalsContact O-OH 3.07Å
628	L	91.3	Very high	89	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.153	C	C	.	.			trans	-83.7	138.8	177.1	-56.2	179	0	0	0	110.5	F534 Y565 H566 I593 V604 L607 V624 Y650	F534-L628 HydrophobicContact CB-CD1 3.58Å; F534-L628 HydrophobicContact CD1-CD1 4.45Å; F534-L628 HydrophobicContact CD2-CD1 4.36Å; F534-L628 HydrophobicContact CG-CD1 3.87Å; Y565-L628 HydrophobicContact CD1-CB 3.88Å; Y565-L628 HydrophobicContact CE1-CB 3.93Å; H566-L628 PolarHBondContact CE1-N 3.25Å; H566-L628 PolarHBondContact CE1-O 2.87Å; H566-L628 WeakPolarHBondContact NE2-CB 3.48Å; H566-L628 PolarHBondContact NE2-N 3.45Å; I593-L628 HydrophobicContact CD1-CD1 3.95Å; V604-L628 HydrophobicContact CG1-CD1 3.63Å; V604-L628 HydrophobicContact CG1-CD2 4.29Å; L607-L628 HydrophobicContact CD1-CD2 3.92Å; V624-L628 HydrophobicContact CG2-CG 4.43Å; L628-Y650 WeakPolarHBondContact CA-OH 3.5Å
629	Y	89.6	Confident	88.6	Confident	4 Å²	4	31.5 Å²	31.5	2%	0.016	18%	0.177	C	C	.	.			trans	-141.8	137.9	179.6	-169.8	-89.1	0	0	0	111.4	I562 Y565 A631 A633 V635 L644 I648 Y650 I651 I653 F661	I562-Y629 HydrophobicContact CG1-CD2 4.21Å; I562-Y629 HydrophobicContact CG1-CE2 4.1Å; Y565-Y629 VanDerWaalsContact CE1-C 3.5Å; Y629-A631 PolarHBondContact O-N 2.78Å; Y629-A633 HydrophobicContact CE1-CB 4.18Å; Y629-A633 WeakPolarHBondContact CE1-O 3.36Å; Y629-A633 PolarHBondContact OH-O 2.89Å; Y629-V635 VanDerWaalsContact OH-CG2 3.22Å; Y629-V635 WeakPolarHBondContact OH-CG2 3.36Å; Y629-L644 HydrophobicContact CD2-CD1 4.35Å; Y629-L644 HydrophobicContact CD2-CD2 4.41Å; Y629-L644 HydrophobicContact CE2-CD1 3.77Å; Y629-I648 HydrophobicContact CD2-CD1 4.05Å; Y629-I648 HydrophobicContact CG-CD1 3.9Å; Y629-Y650 PolarHBondContact N-OH 3.12Å; Y629-Y650 VanDerWaalsContact N-OH 3.13Å; Y629-I651 HydrophobicContact CD1-CD1 4.18Å; Y629-I653 HydrophobicContact CE1-CG2 4.26Å; Y629-F661 HydrophobicContact CE2-CZ 4.42Å; Y629-F661 WeakPolarHBondContact OH-CZ 3.41Å
630	P	86.3	Confident	88	Confident	5 Å²	5	31.8 Å²	31.8	3%	0.032	18%	0.179	C	C	.	.			trans	-69.5	116.5	177.7	21.5	-25.2	0	0	0	110.7	Y565 D632 A633	Y565-P630 HydrophobicContact CD2-CB 3.91Å; Y565-P630 HydrophobicContact CD2-CG 4.07Å; Y565-P630 HydrophobicContact CE2-CB 3.78Å; Y565-P630 HydrophobicContact CE2-CG 4.42Å; Y565-P630 HydrophobicContact CG-CB 4.41Å; Y565-P630 HydrophobicContact CG-CG 4.18Å; P630-D632 PolarHBondContact O-N 3.09Å; P630-A633 HydrophobicContact CB-CB 4.09Å; P630-A633 HydrophobicContact CG-CB 3.62Å; P630-A633 PolarHBondContact O-N 3.43Å
631	A	78.6	Confident	87.5	Confident	52 Å²	52	33.2 Å²	33.2	43%	0.43	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-24.7	-175.3	0	0	0	0	0	114.6	Y629	Y629-A631 PolarHBondContact O-N 2.78Å
632	D	79.6	Confident	87	Confident	121 Å²	121	39.8 Å²	39.8	65%	0.647	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-3.5	-179.2	-66.9	-41.6	0	0	0	114.4	P630 P634 K654	P630-D632 PolarHBondContact O-N 3.09Å; D632-P634 VanDerWaalsContact O-CD 3.3Å; D632-P634 WeakPolarHBondContact O-CD 3.44Å; D632-K654 IonicContact OD1-NZ 3.26Å; D632-K654 PolarHBondContact OD1-NZ 3.27Å
633	A	83.4	Confident	86.5	Confident	13 Å²	13	40 Å²	40	11%	0.107	22%	0.218	C	C	.	.			trans	-85.7	113.5	178.9	0	0	0	0	0	111	Y629 P630	Y629-A633 HydrophobicContact CE1-CB 4.18Å; Y629-A633 WeakPolarHBondContact CE1-O 3.36Å; Y629-A633 PolarHBondContact OH-O 2.89Å; P630-A633 HydrophobicContact CB-CB 4.09Å; P630-A633 HydrophobicContact CG-CB 3.62Å; P630-A633 PolarHBondContact O-N 3.43Å
634	P	84.3	Confident	86	Confident	48 Å²	48	40 Å²	40	31%	0.312	22%	0.218	S	C	.	.			trans	-74.3	145	177.9	31.5	-34.2	0	0	0	111.3	D632 K654 V656	D632-P634 VanDerWaalsContact O-CD 3.3Å; D632-P634 WeakPolarHBondContact O-CD 3.44Å; P634-K654 CarbonylContact C-O 3.52Å; P634-K654 VanDerWaalsContact CA-O 3.26Å; P634-K654 WeakPolarHBondContact CA-O 3.49Å; P634-K654 HydrophobicContact CB-CB 4.5Å; P634-V656 HydrophobicContact CB-CB 3.86Å; P634-V656 HydrophobicContact CB-CG2 3.66Å; P634-V656 HydrophobicContact CG-CG2 4.48Å
635	V	86.3	Confident	85.7	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-95	132.9	168.6	-178.1	0	0	0	0	108.2	Y629 N637 L640 L641 L644 I653 K654 F655 V656	Y629-V635 VanDerWaalsContact OH-CG2 3.22Å; Y629-V635 WeakPolarHBondContact OH-CG2 3.36Å; V635-N637 WeakPolarHBondContact CG1-O 3.22Å; V635-L640 HydrophobicContact CG1-CB 4.07Å; V635-L640 HydrophobicContact CG1-CD2 4.09Å; V635-L640 HydrophobicContact CG1-CG 4.09Å; V635-L641 HydrophobicContact CB-CD1 4.39Å; V635-L641 HydrophobicContact CG1-CB 4.06Å; V635-L644 HydrophobicContact CG2-CD1 3.64Å; V635-I653 HydrophobicContact CB-CG2 4.3Å; V635-I653 HydrophobicContact CG2-CG2 3.47Å; V635-I653 VanDerWaalsContact CG2-CG2 3.47Å; V635-K654 PolarHBondContact N-O 2.92Å; V635-F655 WeakPolarHBondContact O-CA 3.22Å; V635-F655 WeakPolarHBondContact O-CD2 3.4Å; V635-V656 PolarHBondContact O-N 3.06Å
636	G	81	Confident	85.5	Confident	17 Å²	17	44.8 Å²	44.8	18%	0.175	24%	0.24	C	C	.	.			trans	-108.1	0.5	178.2	0	0	0	0	0	115.8	V656 G658 S659	G636-V656 VanDerWaalsContact CA-O 3.22Å; G636-V656 WeakPolarHBondContact CA-O 3.22Å; G636-G658 PolarHBondContact O-N 3.29Å; G636-S659 VanDerWaalsContact CA-O 3.26Å; G636-S659 WeakPolarHBondContact CA-O 3.08Å; G636-S659 PolarHBondContact N-O 3.07Å
637	N	83.8	Confident	85.4	Confident	63 Å²	63	42.2 Å²	42.2	34%	0.337	23%	0.229	S	C	.	.			trans	-115.5	124.1	180	178.2	-24.4	0	0	0	110.3	V635 Q639 L640 L641	V635-N637 WeakPolarHBondContact CG1-O 3.22Å; N637-Q639 PolarHBondContact O-N 3.34Å; N637-Q639 WeakPolarHBondContact OD1-CB 3.46Å; N637-Q639 PolarHBondContact OD1-N 3.49Å; N637-L640 HydrophobicContact CB-CB 3.98Å; N637-L640 PolarHBondContact O-N 2.99Å; N637-L640 PolarHBondContact OD1-N 3.09Å; N637-L641 WeakPolarHBondContact O-CB 3.11Å; N637-L641 PolarHBondContact O-N 3.38Å
638	D	84.9	Confident	85.1	Confident	103 Å²	103	42.1 Å²	42.1	55%	0.551	23%	0.229	S	C	*	.	H	α-helix	trans	-61.7	-40	-178.1	-64.4	-42.7	0	0	0	112.9	L641 E642 F655	D638-L641 PolarHBondContact O-N 3.42Å; D638-E642 PolarHBondContact O-N 2.81Å; D638-F655 WeakPolarHBondContact OD1-CE2 3.49Å; D638-F655 WeakPolarHBondContact OD1-CZ 3.38Å
639	Q	85.4	Confident	84.7	Confident	111 Å²	111	50.3 Å²	50.3	52%	0.519	26%	0.264	S	S	.	.	H	α-helix	trans	-65.9	-41.5	178.2	-63.2	-176.8	-40.5	0	0	111.1	I551 N637 L641 E642 I643	I551-Q639 HydrophobicContact CG2-CB 4.5Å; N637-Q639 PolarHBondContact O-N 3.34Å; N637-Q639 WeakPolarHBondContact OD1-CB 3.46Å; N637-Q639 PolarHBondContact OD1-N 3.49Å; Q639-L641 VanDerWaalsContact C-N 3.35Å; Q639-E642 PolarHBondContact O-N 3.26Å; Q639-I643 WeakPolarHBondContact O-CD1 3.22Å; Q639-I643 VanDerWaalsContact O-CG1 3.28Å; Q639-I643 WeakPolarHBondContact O-CG1 2.99Å; Q639-I643 PolarHBondContact O-N 3.28Å
640	L	84.4	Confident	84.3	Confident	5 Å²	5	52.7 Å²	52.7	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-68.2	-37.5	177.2	-175.4	62.3	0	0	0	111.2	L552 A558 V635 N637 I643 L644 F661	L552-L640 HydrophobicContact CD2-CD1 3.94Å; L552-L640 HydrophobicContact CG-CD1 4.36Å; A558-L640 HydrophobicContact CB-CD2 3.75Å; V635-L640 HydrophobicContact CG1-CB 4.07Å; V635-L640 HydrophobicContact CG1-CD2 4.09Å; V635-L640 HydrophobicContact CG1-CG 4.09Å; N637-L640 HydrophobicContact CB-CB 3.98Å; N637-L640 PolarHBondContact O-N 2.99Å; N637-L640 PolarHBondContact OD1-N 3.09Å; L640-I643 PolarHBondContact O-N 3.17Å; L640-L644 HydrophobicContact CD1-CD1 4.21Å; L640-L644 HydrophobicContact CD1-CG 4.19Å; L640-L644 HydrophobicContact CD2-CD1 4.45Å; L640-L644 HydrophobicContact CG-CD1 3.87Å; L640-L644 HydrophobicContact CG-CG 4.28Å; L640-L644 WeakPolarHBondContact O-CB 3.03Å; L640-L644 VanDerWaalsContact O-CG 3.23Å; L640-L644 WeakPolarHBondContact O-CG 3.43Å; L640-L644 PolarHBondContact O-N 3.41Å; L640-F661 HydrophobicContact CD2-CE2 3.65Å; L640-F661 HydrophobicContact CD2-CZ 4.42Å
641	L	87.2	Confident	84.3	Confident	30 Å²	30	54.7 Å²	54.7	16%	0.157	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-44.2	175.5	179.7	69	0	0	0	111.4	V635 N637 D638 Q639 L644 N645 I653 F655	V635-L641 HydrophobicContact CB-CD1 4.39Å; V635-L641 HydrophobicContact CG1-CB 4.06Å; N637-L641 WeakPolarHBondContact O-CB 3.11Å; N637-L641 PolarHBondContact O-N 3.38Å; D638-L641 PolarHBondContact O-N 3.42Å; Q639-L641 VanDerWaalsContact C-N 3.35Å; L641-L644 PolarHBondContact O-N 3.36Å; L641-N645 WeakPolarHBondContact O-CB 3.47Å; L641-N645 VanDerWaalsContact O-CG 3.32Å; L641-N645 PolarHBondContact O-N 3.3Å; L641-N645 PolarHBondContact O-ND2 2.9Å; L641-I653 HydrophobicContact CD1-CB 3.97Å; L641-I653 HydrophobicContact CD1-CG2 3.71Å; L641-F655 HydrophobicContact CB-CD2 4.31Å; L641-F655 HydrophobicContact CD1-CB 4.33Å; L641-F655 HydrophobicContact CD2-CB 3.81Å; L641-F655 HydrophobicContact CD2-CD2 3.69Å; L641-F655 HydrophobicContact CD2-CE2 4.45Å; L641-F655 HydrophobicContact CD2-CG 3.82Å; L641-F655 HydrophobicContact CG-CD2 4.41Å
642	E	87.1	Confident	84.6	Confident	139 Å²	139	61 Å²	61	65%	0.65	30%	0.304	S	S	*	.	H	α-helix	trans	-60.2	-46.3	177.6	-171.6	173	-170.6	0	0	111.4	D638 Q639 N645 K646	D638-E642 PolarHBondContact O-N 2.81Å; Q639-E642 PolarHBondContact O-N 3.26Å; E642-N645 PolarHBondContact O-N 3.29Å; E642-K646 PolarHBondContact O-N 3.02Å; E642-K646 VanDerWaalsContact O-N 3.15Å
643	I	86.1	Confident	84.9	Confident	4 Å²	4	56.2 Å²	56.2	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-61.4	-49.3	176.3	-64.2	164.5	0	0	0	110.9	E548 I551 L552 Q639 L640 N645 K646 L647	E548-I643 HydrophobicContact CB-CD1 4Å; E548-I643 HydrophobicContact CB-CG1 3.94Å; E548-I643 HydrophobicContact CG-CD1 4.25Å; E548-I643 HydrophobicContact CG-CG1 3.87Å; I551-I643 HydrophobicContact CB-CD1 3.86Å; I551-I643 HydrophobicContact CD1-CD1 4.32Å; I551-I643 HydrophobicContact CG2-CD1 3.64Å; L552-I643 HydrophobicContact CD1-CG2 3.55Å; L552-I643 HydrophobicContact CG-CG2 4.18Å; Q639-I643 WeakPolarHBondContact O-CD1 3.22Å; Q639-I643 VanDerWaalsContact O-CG1 3.28Å; Q639-I643 WeakPolarHBondContact O-CG1 2.99Å; Q639-I643 PolarHBondContact O-N 3.28Å; L640-I643 PolarHBondContact O-N 3.17Å; I643-N645 PolarHBondContact O-N 3.39Å; I643-K646 VanDerWaalsContact O-CB 3.26Å; I643-K646 WeakPolarHBondContact O-CB 3.38Å; I643-K646 PolarHBondContact O-N 3.12Å; I643-K646 VanDerWaalsContact O-N 3.14Å; I643-L647 HydrophobicContact CG2-CD1 4.12Å; I643-L647 WeakPolarHBondContact O-CG 3.27Å; I643-L647 PolarHBondContact O-N 3.2Å
644	L	86	Confident	85	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.5	-38.6	-177	-68.1	172.8	0	0	0	112	I562 L627 Y629 V635 L640 L641 K646 L647 I648 I653	I562-L644 HydrophobicContact CD1-CD2 3.93Å; L627-L644 HydrophobicContact CD2-CD2 4.39Å; Y629-L644 HydrophobicContact CD2-CD1 4.35Å; Y629-L644 HydrophobicContact CD2-CD2 4.41Å; Y629-L644 HydrophobicContact CE2-CD1 3.77Å; V635-L644 HydrophobicContact CG2-CD1 3.64Å; L640-L644 HydrophobicContact CD1-CD1 4.21Å; L640-L644 HydrophobicContact CD1-CG 4.19Å; L640-L644 HydrophobicContact CD2-CD1 4.45Å; L640-L644 HydrophobicContact CG-CD1 3.87Å; L640-L644 HydrophobicContact CG-CG 4.28Å; L640-L644 WeakPolarHBondContact O-CB 3.03Å; L640-L644 VanDerWaalsContact O-CG 3.23Å; L640-L644 WeakPolarHBondContact O-CG 3.43Å; L640-L644 PolarHBondContact O-N 3.41Å; L641-L644 PolarHBondContact O-N 3.36Å; L644-K646 PolarHBondContact O-N 3.5Å; L644-L647 PolarHBondContact O-N 3.5Å; L644-I648 HydrophobicContact CB-CD1 4.2Å; L644-I648 HydrophobicContact CD2-CD1 3.89Å; L644-I648 VanDerWaalsContact O-CB 3.3Å; L644-I648 WeakPolarHBondContact O-CB 3.44Å; L644-I648 PolarHBondContact O-N 3.28Å; L644-I653 HydrophobicContact CB-CD1 3.34Å
645	N	87.1	Confident	85.2	Confident	75 Å²	75	62 Å²	62	40%	0.401	30%	0.296	S	S	.	.	H	α-helix	trans	-63.5	-28.3	174.2	-78.2	-29.9	0	0	0	112.7	L641 E642 I643	L641-N645 WeakPolarHBondContact O-CB 3.47Å; L641-N645 VanDerWaalsContact O-CG 3.32Å; L641-N645 PolarHBondContact O-N 3.3Å; L641-N645 PolarHBondContact O-ND2 2.9Å; E642-N645 PolarHBondContact O-N 3.29Å; I643-N645 PolarHBondContact O-N 3.39Å
646	K	85.9	Confident	85.3	Confident	79 Å²	79	65.5 Å²	65.5	34%	0.343	32%	0.318	S	S	.	.	H	α-helix	trans	-69.6	-40.2	174.8	-162.8	179.1	-169	-180	0	111.8	G543 E548 E642 I643 L644 K649	G543-K646 WeakPolarHBondContact O-CE 3.49Å; G543-K646 PolarHBondContact O-NZ 2.96Å; E548-K646 IonicContact OE1-NZ 2.72Å; E548-K646 PolarHBondContact OE1-NZ 2.54Å; E548-K646 IonicContact OE2-NZ 3.54Å; E548-K646 PolarHBondContact OE2-NZ 3.27Å; E642-K646 PolarHBondContact O-N 3.02Å; E642-K646 VanDerWaalsContact O-N 3.15Å; I643-K646 VanDerWaalsContact O-CB 3.26Å; I643-K646 WeakPolarHBondContact O-CB 3.38Å; I643-K646 PolarHBondContact O-N 3.12Å; I643-K646 VanDerWaalsContact O-N 3.14Å; L644-K646 PolarHBondContact O-N 3.5Å; K646-K649 WeakPolarHBondContact O-CE 3.36Å
647	L	84.3	Confident	85.5	Confident	13 Å²	13	75.1 Å²	75.1	7%	0.068	35%	0.349	C	S	.	.	H	α-helix	trans	-85	-36.3	-176.9	-59.5	175.9	0	0	0	113.4	M544 L627 I643 L644	M544-L647 HydrophobicContact CE-CD1 3.37Å; M544-L647 HydrophobicContact CE-CD2 3.64Å; M544-L647 HydrophobicContact CE-CG 4.03Å; L627-L647 HydrophobicContact CD2-CD1 3.9Å; I643-L647 HydrophobicContact CG2-CD1 4.12Å; I643-L647 WeakPolarHBondContact O-CG 3.27Å; I643-L647 PolarHBondContact O-N 3.2Å; L644-L647 PolarHBondContact O-N 3.5Å
648	I	84.5	Confident	85.2	Confident	3 Å²	3	75.2 Å²	75.2	2%	0.015	36%	0.364	C	S	.	.			trans	-113.6	100.1	-170.1	-62.8	153.8	0	0	0	108.3	L627 Y629 L644 Y650 I651 I653	L627-I648 HydrophobicContact CB-CG1 4.3Å; L627-I648 HydrophobicContact CD2-CD1 4.34Å; Y629-I648 HydrophobicContact CD2-CD1 4.05Å; Y629-I648 HydrophobicContact CG-CD1 3.9Å; L644-I648 HydrophobicContact CB-CD1 4.2Å; L644-I648 HydrophobicContact CD2-CD1 3.89Å; L644-I648 VanDerWaalsContact O-CB 3.3Å; L644-I648 WeakPolarHBondContact O-CB 3.44Å; L644-I648 PolarHBondContact O-N 3.28Å; I648-Y650 HydrophobicContact CB-CE1 4.4Å; I648-Y650 HydrophobicContact CG2-CD1 4.02Å; I648-Y650 HydrophobicContact CG2-CE1 3.62Å; I648-I651 HydrophobicContact CG2-CD1 3.97Å; I648-I651 HydrophobicContact CG2-CG1 3.36Å; I648-I653 HydrophobicContact CB-CD1 4.3Å; I648-I653 HydrophobicContact CD1-CD1 4.15Å
649	K	83.1	Confident	85.1	Confident	171 Å²	171	72 Å²	72	74%	0.743	35%	0.35	S	S	*	.			trans	-105.1	-6.9	-178.7	-62.4	-174.9	179.6	-179.2	0	114.3	K646	K646-K649 WeakPolarHBondContact O-CE 3.36Å
650	Y	82.2	Confident	84.9	Confident	55 Å²	55	72.7 Å²	72.7	22%	0.216	36%	0.362	C	S	.	.	S	Bend	trans	-92.7	-9.8	-173.6	66.3	-85.3	0	0	0	113.3	L607 K626 L627 L628 Y629 I648	L607-Y650 HydrophobicContact CD1-CD1 3.9Å; L607-Y650 HydrophobicContact CD1-CD2 3.9Å; L607-Y650 HydrophobicContact CD1-CE1 3.75Å; L607-Y650 HydrophobicContact CD1-CE2 3.8Å; L607-Y650 HydrophobicContact CD1-CG 3.99Å; L607-Y650 HydrophobicContact CD2-CD1 4.34Å; L607-Y650 HydrophobicContact CD2-CD2 4.19Å; L607-Y650 HydrophobicContact CD2-CG 3.93Å; L607-Y650 HydrophobicContact CG-CD2 4.2Å; L607-Y650 HydrophobicContact CG-CE2 4.46Å; L607-Y650 HydrophobicContact CG-CG 4.35Å; K626-Y650 HydrophobicContact CB-CD1 4.47Å; K626-Y650 HydrophobicContact CB-CE1 4.29Å; K626-Y650 HydrophobicContact CD-CD1 3.85Å; K626-Y650 HydrophobicContact CD-CE1 4.48Å; L627-Y650 WeakPolarHBondContact O-CE1 3.07Å; L627-Y650 PolarHBondContact O-OH 2.6Å; L627-Y650 VanDerWaalsContact O-OH 3.07Å; L628-Y650 WeakPolarHBondContact CA-OH 3.5Å; Y629-Y650 PolarHBondContact N-OH 3.12Å; Y629-Y650 VanDerWaalsContact N-OH 3.13Å; I648-Y650 HydrophobicContact CB-CE1 4.4Å; I648-Y650 HydrophobicContact CG2-CD1 4.02Å; I648-Y650 HydrophobicContact CG2-CE1 3.62Å
651	I	85.3	Confident	84.8	Confident	47 Å²	47	73.7 Å²	73.7	24%	0.241	37%	0.366	C	S	.	.	S	Bend	trans	-136.7	156.8	174	55.5	168.9	0	0	0	110	Y629 I648	Y629-I651 HydrophobicContact CD1-CD1 4.18Å; I648-I651 HydrophobicContact CG2-CD1 3.97Å; I648-I651 HydrophobicContact CG2-CG1 3.36Å
652	Q	84.1	Confident	84.4	Confident	184 Å²	184	80.4 Å²	80.4	86%	0.86	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-86.5	126.3	166.8	-70.6	-175.3	-15.4	0	0	109.8
653	I	85.9	Confident	84	Confident	21 Å²	21	80.9 Å²	80.9	11%	0.108	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-84	126	179.8	-57.6	-177.8	0	0	0	109.5	Y629 V635 L641 L644 I648 F655	Y629-I653 HydrophobicContact CE1-CG2 4.26Å; V635-I653 HydrophobicContact CB-CG2 4.3Å; V635-I653 HydrophobicContact CG2-CG2 3.47Å; V635-I653 VanDerWaalsContact CG2-CG2 3.47Å; L641-I653 HydrophobicContact CD1-CB 3.97Å; L641-I653 HydrophobicContact CD1-CG2 3.71Å; L644-I653 HydrophobicContact CB-CD1 3.34Å; I648-I653 HydrophobicContact CB-CD1 4.3Å; I648-I653 HydrophobicContact CD1-CD1 4.15Å; I653-F655 PolarHBondContact O-N 3.3Å
654	K	85.9	Confident	83.5	Confident	105 Å²	105	82 Å²	82	46%	0.457	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-71.1	127.6	175.4	-66.4	175.2	-177.2	171	0	109.2	D632 P634 V635	D632-K654 IonicContact OD1-NZ 3.26Å; D632-K654 PolarHBondContact OD1-NZ 3.27Å; P634-K654 CarbonylContact C-O 3.52Å; P634-K654 VanDerWaalsContact CA-O 3.26Å; P634-K654 WeakPolarHBondContact CA-O 3.49Å; P634-K654 HydrophobicContact CB-CB 4.5Å; V635-K654 PolarHBondContact N-O 2.92Å
655	F	89	Confident	82.6	Confident	76 Å²	76	87.4 Å²	87.4	33%	0.333	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-108.6	126.6	173	178.7	-103.9	0	0	0	110.4	V635 D638 L641 I653 R657	V635-F655 WeakPolarHBondContact O-CA 3.22Å; V635-F655 WeakPolarHBondContact O-CD2 3.4Å; D638-F655 WeakPolarHBondContact OD1-CE2 3.49Å; D638-F655 WeakPolarHBondContact OD1-CZ 3.38Å; L641-F655 HydrophobicContact CB-CD2 4.31Å; L641-F655 HydrophobicContact CD1-CB 4.33Å; L641-F655 HydrophobicContact CD2-CB 3.81Å; L641-F655 HydrophobicContact CD2-CD2 3.69Å; L641-F655 HydrophobicContact CD2-CE2 4.45Å; L641-F655 HydrophobicContact CD2-CG 3.82Å; L641-F655 HydrophobicContact CG-CD2 4.41Å; I653-F655 PolarHBondContact O-N 3.3Å; F655-R657 HydrophobicContact CE1-CB 4.08Å; F655-R657 HydrophobicContact CZ-CB 4.23Å
656	V	87.9	Confident	81.5	Confident	75 Å²	75	85.8 Å²	85.8	46%	0.455	43%	0.43	S	S	.	.			trans	-135.5	104.3	175.6	179.5	0	0	0	0	107.9	P634 V635 G636 G658 S659	P634-V656 HydrophobicContact CB-CB 3.86Å; P634-V656 HydrophobicContact CB-CG2 3.66Å; P634-V656 HydrophobicContact CG-CG2 4.48Å; V635-V656 PolarHBondContact O-N 3.06Å; G636-V656 VanDerWaalsContact CA-O 3.22Å; G636-V656 WeakPolarHBondContact CA-O 3.22Å; V656-G658 PolarHBondContact O-N 2.89Å; V656-S659 VanDerWaalsContact CB-OG 3.27Å; V656-S659 WeakPolarHBondContact CB-OG 3.5Å; V656-S659 VanDerWaalsContact CG1-OG 3.26Å; V656-S659 WeakPolarHBondContact CG1-OG 3.48Å; V656-S659 VanDerWaalsContact O-CB 3.22Å; V656-S659 WeakPolarHBondContact O-CB 3.22Å; V656-S659 PolarHBondContact O-N 3.24Å; V656-S659 PolarHBondContact O-OG 2.04Å
657	R	85.8	Confident	80.1	Confident	219 Å²	219	87.4 Å²	87.4	83%	0.826	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.2	127.6	-175.3	-169	177	-175.5	177.4	2.1	111.6	F655 S659	F655-R657 HydrophobicContact CE1-CB 4.08Å; F655-R657 HydrophobicContact CZ-CB 4.23Å; R657-S659 VanDerWaalsContact C-N 3.32Å
658	G	77.4	Confident	78.4	Confident	64 Å²	64	89.4 Å²	89.4	66%	0.66	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	1	178.9	0	0	0	0	0	115.4	G636 V656	G636-G658 PolarHBondContact O-N 3.29Å; V656-G658 PolarHBondContact O-N 2.89Å
659	S	83	Confident	76.5	Confident	36 Å²	36	98 Å²	98	25%	0.252	49%	0.493	S	S	.	.			trans	-69.1	132.1	172	-60	0	0	0	0	111.1	G636 V656 R657	G636-S659 VanDerWaalsContact CA-O 3.26Å; G636-S659 WeakPolarHBondContact CA-O 3.08Å; G636-S659 PolarHBondContact N-O 3.07Å; V656-S659 VanDerWaalsContact CB-OG 3.27Å; V656-S659 WeakPolarHBondContact CB-OG 3.5Å; V656-S659 VanDerWaalsContact CG1-OG 3.26Å; V656-S659 WeakPolarHBondContact CG1-OG 3.48Å; V656-S659 VanDerWaalsContact O-CB 3.22Å; V656-S659 WeakPolarHBondContact O-CB 3.22Å; V656-S659 PolarHBondContact O-N 3.24Å; V656-S659 PolarHBondContact O-OG 2.04Å; R657-S659 VanDerWaalsContact C-N 3.32Å
660	T	80.5	Confident	74.2	Confident	126 Å²	126	94.8 Å²	94.8	77%	0.773	49%	0.487	S	S	*	.			trans	-112.9	147.5	175.7	55.6	0	0	0	0	110.5
661	F	82.4	Confident	71.9	Confident	26 Å²	26	98 Å²	98	11%	0.114	51%	0.513	C	S	.	.	P	Polyproline II helix	trans	-68.4	136.7	171	-71.9	-83.6	0	0	0	109.7	N557 A558 N561 Y629 L640	N557-F661 HydrophobicContact CB-CB 4.42Å; A558-F661 VanDerWaalsContact CA-CD2 3.48Å; A558-F661 HydrophobicContact CB-CD2 3.38Å; A558-F661 HydrophobicContact CB-CE2 3.58Å; A558-F661 HydrophobicContact CB-CG 4.16Å; A558-F661 HydrophobicContact CB-CZ 4.48Å; N561-F661 HydrophobicContact CB-CB 4.38Å; N561-F661 HydrophobicContact CB-CD1 3.6Å; N561-F661 HydrophobicContact CB-CE1 4.23Å; N561-F661 HydrophobicContact CB-CG 4.22Å; Y629-F661 HydrophobicContact CE2-CZ 4.42Å; Y629-F661 WeakPolarHBondContact OH-CZ 3.41Å; L640-F661 HydrophobicContact CD2-CE2 3.65Å; L640-F661 HydrophobicContact CD2-CZ 4.42Å
662	K	78.8	Confident	69.2	Low	171 Å²	171	104.5 Å²	104.5	74%	0.743	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-71.5	136.1	175.7	-66.8	-175.9	179.2	-178.4	0	109.1	N561 I664	N561-K662 PolarHBondContact ND2-O 3.04Å; K662-I664 PolarHBondContact O-N 3.24Å
663	E	79	Confident	66.7	Low	148 Å²	148	103 Å²	103	69%	0.692	54%	0.536	S	S	*	.	P	Polyproline II helix	trans	-63.4	131.2	168.6	-171.1	174.3	-175.5	0	0	109.1
664	I	76.4	Confident	63.9	Low	29 Å²	29	108.7 Å²	108.7	15%	0.149	57%	0.565	C	S	.	*			trans	-111.3	108.3	180	-56.2	-174.4	0	0	0	107.2	N561 L564 Q589 K662 V666	N561-I664 WeakPolarHBondContact OD1-CD1 3.24Å; L564-I664 HydrophobicContact CD1-CB 3.82Å; L564-I664 HydrophobicContact CD1-CD1 4.07Å; L564-I664 HydrophobicContact CD1-CG1 4.47Å; L564-I664 HydrophobicContact CD1-CG2 3.79Å; Q589-I664 HydrophobicContact CB-CD1 4.21Å; Q589-I664 HydrophobicContact CG-CD1 3.83Å; Q589-I664 WeakPolarHBondContact O-CD1 3.19Å; K662-I664 PolarHBondContact O-N 3.24Å; I664-V666 PolarHBondContact O-N 3.15Å
665	P	67.1	Low	61.2	Low	112 Å²	112	109.5 Å²	109.5	73%	0.727	58%	0.579	S	S	*	*			trans	-67	110.7	179.7	26.1	-31.9	0	0	0	109.1	T667	P665-T667 PolarHBondContact O-N 2.86Å
666	V	63.4	Low	58.3	Low	42 Å²	42	114.6 Å²	114.6	26%	0.255	60%	0.601	S	S	.	*			trans	-81.4	105.3	173.4	-173.4	0	0	0	0	106.9	L521 L524 Q560 L564 I664 V668	L521-V666 HydrophobicContact CD2-CG1 4.14Å; L521-V666 HydrophobicContact CD2-CG2 3.92Å; L524-V666 HydrophobicContact CD1-CG1 3.92Å; Q560-V666 VanDerWaalsContact NE2-CG2 3.29Å; L564-V666 HydrophobicContact CD1-CG2 4.21Å; I664-V666 PolarHBondContact O-N 3.15Å; V666-V668 HydrophobicContact CG1-CG2 4.36Å; V666-V668 PolarHBondContact O-N 3.15Å; V666-V668 VanDerWaalsContact O-N 3.11Å
667	T	55.4	Low	55.6	Low	112 Å²	112	116.9 Å²	116.9	69%	0.687	62%	0.615	S	S	*	*			trans	-74.8	100.3	175.2	4.8	0	0	0	0	108.4	P665 Y669	P665-T667 PolarHBondContact O-N 2.86Å; T667-Y669 PolarHBondContact O-N 2.86Å
668	V	49.9	Very low	53.1	Low	55 Å²	55	112.2 Å²	112.2	33%	0.333	61%	0.61	S	S	.	*			trans	-83.3	110.3	172.6	-176.8	0	0	0	0	108.1	E523 V666 T670	E523-V668 HydrophobicContact CB-CG1 4.45Å; E523-V668 VanDerWaalsContact CD-CG1 3.43Å; E523-V668 HydrophobicContact CG-CG1 3.8Å; V666-V668 HydrophobicContact CG1-CG2 4.36Å; V666-V668 PolarHBondContact O-N 3.15Å; V666-V668 VanDerWaalsContact O-N 3.11Å; V668-T670 PolarHBondContact O-N 3.39Å
669	Y	43.8	Very low	50.8	Low	185 Å²	185	116.9 Å²	116.9	73%	0.725	62%	0.615	S	S	*	*			trans	-75.9	85.6	173.8	-66.9	-82.8	0	0	0	109.8	Q527 T667 T671	Q527-Y669 PolarHBondContact OE1-O 2.94Å; T667-Y669 PolarHBondContact O-N 2.86Å; Y669-T671 PolarHBondContact O-N 2.83Å
670	T	34.9	Very low	48.3	Very low	102 Å²	102	120.7 Å²	120.7	63%	0.626	64%	0.639	S	S	*	*			trans	-66.6	99.1	164.8	32.2	0	0	0	0	109.5	V668 K672	V668-T670 PolarHBondContact O-N 3.39Å; T670-K672 PolarHBondContact O-N 2.84Å
671	T	33.7	Very low	45.9	Very low	123 Å²	123	124.4 Å²	124.4	76%	0.755	64%	0.644	S	S	*	*			trans	-70.1	93	166.8	15.4	0	0	0	0	108.5	Y669 I673	Y669-T671 PolarHBondContact O-N 2.83Å; T671-I673 PolarHBondContact O-N 2.98Å; T671-I673 VanDerWaalsContact O-N 3.13Å
672	K	28.1	Very low	43.5	Very low	184 Å²	184	130.4 Å²	130.4	80%	0.8	68%	0.676	S	S	*	*			trans	-70.6	102.7	162.4	-85	-176.4	175.9	176.2	0	107.7	T670 I674	T670-K672 PolarHBondContact O-N 2.84Å; K672-I674 VanDerWaalsContact C-N 3.35Å; K672-I674 PolarHBondContact O-N 3.26Å
673	I	31.9	Very low	41.2	Very low	152 Å²	152	131.6 Å²	131.6	78%	0.779	68%	0.681	S	S	*	*			trans	-65.4	100.6	163.2	-59.1	174.6	0	0	0	106.3	T671 T675	T671-I673 PolarHBondContact O-N 2.98Å; T671-I673 VanDerWaalsContact O-N 3.13Å; I673-T675 PolarHBondContact O-N 2.87Å
674	I	27.5	Very low	38.8	Very low	141 Å²	141	129.9 Å²	129.9	72%	0.723	68%	0.68	S	S	*	*			trans	-82.7	98	164.4	-57.5	175.6	0	0	0	105.6	K672 K676	K672-I674 VanDerWaalsContact C-N 3.35Å; K672-I674 PolarHBondContact O-N 3.26Å; I674-K676 VanDerWaalsContact C-N 3.3Å; I674-K676 PolarHBondContact O-N 3.2Å
675	T	28.3	Very low	36.7	Very low	121 Å²	121	136.1 Å²	136.1	74%	0.742	71%	0.712	S	S	*	*			trans	-63.9	96	163.5	-1.9	0	0	0	0	107.3	I673 V677	I673-T675 PolarHBondContact O-N 2.87Å; T675-V677 PolarHBondContact O-N 3.4Å; T675-V677 VanDerWaalsContact O-N 3.16Å
676	K	29.8	Very low	35	Very low	183 Å²	183	139.3 Å²	139.3	80%	0.796	72%	0.717	S	S	*	*			trans	-72.4	102.8	161.6	-112.1	-176.4	177.4	178.8	0	106.5	I674 V678	I674-K676 VanDerWaalsContact C-N 3.3Å; I674-K676 PolarHBondContact O-N 3.2Å; K676-V678 PolarHBondContact O-N 3.31Å
677	V	30.4	Very low	33.3	Very low	124 Å²	124	140.8 Å²	140.8	75%	0.752	74%	0.742	S	S	*	*			trans	-63	103.7	160.2	179.6	0	0	0	0	105.8	T675 E679	T675-V677 PolarHBondContact O-N 3.4Å; T675-V677 VanDerWaalsContact O-N 3.16Å; V677-E679 HydrophobicContact CG1-CG 4.44Å; V677-E679 PolarHBondContact O-N 3.42Å
678	V	34.3	Very low	32	Very low	120 Å²	120	141.4 Å²	141.4	73%	0.727	75%	0.75	S	S	*	*			trans	-80.4	98.3	167.6	-179.5	0	0	0	0	105.8	K676	K676-V678 PolarHBondContact O-N 3.31Å
679	E	28.1	Very low	31	Very low	163 Å²	163	147.3 Å²	147.3	76%	0.762	78%	0.779	S	S	*	*			trans	-61.8	127.1	164	-73.7	-179.7	169.8	0	0	108.5	V677 K681	V677-E679 HydrophobicContact CG1-CG 4.44Å; V677-E679 PolarHBondContact O-N 3.42Å; E679-K681 PolarHBondContact O-N 2.94Å
680	P	30.5	Very low	30.5	Very low	116 Å²	116	145.8 Å²	145.8	75%	0.753	78%	0.779	S	S	*	*			trans	-71.7	106.8	-178	27.7	-31.3	0	0	0	109.4	I682	P680-I682 PolarHBondContact O-N 3.15Å; P680-I682 VanDerWaalsContact O-N 3.14Å
681	K	31.1	Very low	30.1	Very low	204 Å²	204	147.2 Å²	147.2	89%	0.887	79%	0.789	S	S	*	*			trans	-73.3	104	162.7	-84	-173	176.6	-179	0	109	E679 K683	E679-K681 PolarHBondContact O-N 2.94Å; K681-K683 PolarHBondContact O-N 3.18Å
682	I	31	Very low	29.9	Very low	151 Å²	151	147.4 Å²	147.4	77%	0.774	78%	0.784	S	S	*	*			trans	-53.3	120.8	166.3	-61.4	166.8	0	0	0	108.4	P680 V684	P680-I682 PolarHBondContact O-N 3.15Å; P680-I682 VanDerWaalsContact O-N 3.14Å; I682-V684 HydrophobicContact CG2-CG2 4.27Å; I682-V684 PolarHBondContact O-N 2.82Å
683	K	30.3	Very low	29.8	Very low	196 Å²	196	146.2 Å²	146.2	85%	0.852	79%	0.785	S	S	*	*			trans	-84.6	105.5	164.2	-89.4	-175.4	175.2	-179.8	0	108.2	K681 I685	K681-K683 PolarHBondContact O-N 3.18Å; K683-I685 PolarHBondContact O-N 2.03Å
684	V	28.3	Very low	29.4	Very low	112 Å²	112	147.2 Å²	147.2	68%	0.679	78%	0.784	S	S	*	*			trans	-73.2	119	162.7	178.4	0	0	0	0	107.2	I682 E686	I682-V684 HydrophobicContact CG2-CG2 4.27Å; I682-V684 PolarHBondContact O-N 2.82Å; V684-E686 HydrophobicContact CG1-CG 3.99Å
685	I	33.9	Very low	29.3	Very low	160 Å²	160	145.2 Å²	145.2	82%	0.821	78%	0.779	S	S	*	*			trans	-94.8	100.6	166.1	-59.8	173.8	0	0	0	105.6	K683	K683-I685 PolarHBondContact O-N 2.03Å
686	E	30	Very low	29.3	Very low	179 Å²	179	148 Å²	148	84%	0.836	78%	0.783	S	S	*	*			trans	-92.9	110.8	163.6	-89.4	179.2	173.8	0	0	108.3	V684	V684-E686 HydrophobicContact CG1-CG 3.99Å
687	G	27.9	Very low	29	Very low	74 Å²	74	142.9 Å²	142.9	76%	0.763	78%	0.782	S	S	*	*			trans	-81.2	144.2	166.5	0	0	0	0	0	110.5
688	S	28.4	Very low	29.4	Very low	124 Å²	124	142.6 Å²	142.6	87%	0.867	78%	0.783	S	S	*	*			trans	-128.6	128.3	161.9	49.6	0	0	0	0	109.8
689	L	28.2	Very low	28.9	Very low	180 Å²	180	142.5 Å²	142.5	94%	0.942	78%	0.783	S	S	*	*			trans	-76.8	153	-176.7	-83.5	144.6	0	0	0	112.1
690	Q	33.8	Very low	28.7	Very low	153 Å²	153	142 Å²	142	72%	0.715	78%	0.784	S	S	*	*			trans	-63.4	175.5	179.5	-59.1	177.9	-19	0	0	114.1
691	P	27.3	Very low	28.4	Very low	131 Å²	131	143 Å²	143	85%	0.851	79%	0.788	S	S	*	*				-142.2	152.7	99.4	30	-11.5	0	0	0	116.6
692	I	28.9	Very low	28.1	Very low	127 Å²	127	142.3 Å²	142.3	65%	0.651	79%	0.785	S	S	*	*			trans	-81.3	140.1	176.3	-63.6	157.5	0	0	0	111
693	I	26.6	Very low	27.7	Very low	159 Å²	159	141 Å²	141	82%	0.815	78%	0.784	S	S	*	*			trans	-142.9	105	150.4	-56.7	-177.3	0	0	0	105.9
694	K	23.8	Very low	27.4	Very low	173 Å²	173	139.3 Å²	139.3	75%	0.752	78%	0.776	S	S	*	*				52.3	130.8	99.8	-80.7	-170.8	178	-178.8	0	112.3
695	T	24.8	Very low	27.5	Very low	100 Å²	100	142 Å²	142	61%	0.613	79%	0.785	S	S	*	*			cis	-178.7	155.6	33.1	2	0	0	0	0	109.7
696	E	28	Very low	27.1	Very low	180 Å²	180	142.2 Å²	142.2	84%	0.841	78%	0.783	S	S	*	*			trans	77.1	127.9	140.5	-71.7	162.4	-160.8	0	0	122.2
697	G	23.9	Very low	27	Very low	75 Å²	75	137.1 Å²	137.1	77%	0.773	78%	0.778	S	S	*	*			trans	-78.8	-147.9	174.2	0	0	0	0	0	113.7
698	P	37.9	Very low	27	Very low	118 Å²	118	142.4 Å²	142.4	77%	0.766	78%	0.783	S	S	*	*			cis	-132.1	-176.7	-4.2	35.8	-15.1	0	0	0	115.1
699	T	23.8	Very low	27.2	Very low	118 Å²	118	142.5 Å²	142.5	72%	0.724	78%	0.781	S	S	*	*			trans	77.5	108.4	150.5	29.9	0	0	0	0	123.7
700	I	24.8	Very low	27.1	Very low	152 Å²	152	143.1 Å²	143.1	78%	0.779	78%	0.779	S	S	*	*				40.5	117	127.8	-50.2	172.7	0	0	0	121
701	T	24.6	Very low	26.6	Very low	138 Å²	138	145.2 Å²	145.2	85%	0.847	79%	0.786	S	S	*	*			trans	-150.9	115	131.7	-28.4	0	0	0	0	112.3
702	K	23.3	Very low	26.4	Very low	189 Å²	189	150.9 Å²	150.9	82%	0.822	79%	0.79	S	S	*	*			trans	6.3	145.5	134.8	-92.4	-172.9	179	176.8	0	118.4
703	V	23.8	Very low	26.3	Very low	123 Å²	123	152.2 Å²	152.2	75%	0.745	80%	0.798	S	S	*	*			cis	-166.7	145.8	19	171.9	0	0	0	0	109.2
704	K	23.2	Very low	26.3	Very low	161 Å²	161	152.6 Å²	152.6	70%	0.7	80%	0.8	S	S	*	*				157.8	128	112.2	-148	174.9	-174.9	-144.5	0	113.1	E706	K704-E706 WeakPolarHBondContact CE-OE2 3.41Å; K704-E706 IonicContact NZ-OE1 3.53Å; K704-E706 IonicContact NZ-OE2 2.69Å; K704-E706 PolarHBondContact NZ-OE2 3.32Å
705	I	31	Very low	26.5	Very low	169 Å²	169	152.8 Å²	152.8	87%	0.867	80%	0.801	S	S	*	*			trans	-126.5	133.8	171.1	-65.1	170.8	0	0	0	107.1
706	E	25.7	Very low	26.5	Very low	163 Å²	163	157 Å²	157	76%	0.762	81%	0.814	S	S	*	*			trans	-164.6	140.5	166.3	-96.8	166.1	170.1	0	0	104.2	K704	K704-E706 WeakPolarHBondContact CE-OE2 3.41Å; K704-E706 IonicContact NZ-OE1 3.53Å; K704-E706 IonicContact NZ-OE2 2.69Å; K704-E706 PolarHBondContact NZ-OE2 3.32Å
707	G	28.2	Very low	26.6	Very low	72 Å²	72	152 Å²	152	74%	0.742	81%	0.809	S	S	*	*			cis	169.3	144.3	4.8	0	0	0	0	0	107.3
708	E	27.1	Very low	26.7	Very low	185 Å²	185	157.8 Å²	157.8	86%	0.864	82%	0.816	S	S	*	*			trans	30.4	139	156.4	-62	-178.1	165.3	0	0	123.9
709	P	32.3	Very low	26.1	Very low	126 Å²	126	158.7 Å²	158.7	82%	0.818	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-95	129	155.6	32.9	-26	0	0	0	113
710	E	26.6	Very low	26.2	Very low	194 Å²	194	160.5 Å²	160.5	91%	0.907	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-80.2	153.2	172.9	-88.8	-171.7	153.7	0	0	114
711	F	22.4	Very low	26.3	Very low	197 Å²	197	159.6 Å²	159.6	86%	0.864	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-74	153.8	-179.3	-67	-101.5	0	0	0	114.2
712	R	24.5	Very low	26.4	Very low	250 Å²	250	160.9 Å²	160.9	94%	0.943	82%	0.822	S	S	*	*			trans	-131	124.9	151.5	-101.3	-176	176.1	175	-0.6	111.2
713	L	25.7	Very low	26.6	Very low	154 Å²	154	157.2 Å²	157.2	81%	0.806	82%	0.815	S	S	*	*			trans	-101	132.5	173	-103.6	138.1	0	0	0	109.1
714	I	26.6	Very low	26.7	Very low	167 Å²	167	158.3 Å²	158.3	86%	0.856	82%	0.815	S	S	*	*			trans	-135.1	136	157.8	-59.1	-178.7	0	0	0	108
715	K	28	Very low	27	Very low	178 Å²	178	158.5 Å²	158.5	77%	0.774	82%	0.818	S	S	*	*			trans	-93.4	155.3	-173.2	-89.3	-176.4	171.8	-174.4	0	113.5
716	E	25.2	Very low	26.9	Very low	189 Å²	189	153.9 Å²	153.9	88%	0.883	81%	0.813	S	S	*	*			trans	12.8	125.5	154.4	-81.9	174.8	144.4	0	0	121.5
717	G	30.6	Very low	27.4	Very low	73 Å²	73	154.3 Å²	154.3	75%	0.753	82%	0.815	S	S	*	*			trans	102.3	81.1	144.4	0	0	0	0	0	115.5
718	E	25.8	Very low	27.8	Very low	197 Å²	197	154.5 Å²	154.5	92%	0.921	80%	0.802	S	S	*	*			trans	-171.2	150	139.1	-109.7	170.8	-176.3	0	0	113
719	T	24.7	Very low	28.2	Very low	137 Å²	137	152.1 Å²	152.1	84%	0.84	79%	0.794	S	S	*	*			trans	-69	149	-169.9	27.8	0	0	0	0	115.4
720	I	26.7	Very low	28.5	Very low	156 Å²	156	151 Å²	151	80%	0.8	78%	0.781	S	S	*	*			trans	-63.6	130.9	169.9	-62.6	162.3	0	0	0	110.9
721	T	26.4	Very low	29	Very low	133 Å²	133	147.8 Å²	147.8	82%	0.816	76%	0.763	S	S	*	*			trans	-147.7	101.1	140.5	17.8	0	0	0	0	108.2	V723	T721-V723 PolarHBondContact O-N 3.08Å
722	E	26.1	Very low	29.7	Very low	166 Å²	166	144.8 Å²	144.8	78%	0.776	75%	0.75	S	S	*	*			trans	-77.5	113.3	173.1	-158	175	-155.2	0	0	108.2
723	V	27.2	Very low	30.5	Very low	112 Å²	112	137.6 Å²	137.6	68%	0.679	72%	0.724	S	S	*	*			trans	-126.6	95.3	164.5	-179.4	0	0	0	0	106.2	T721	T721-V723 PolarHBondContact O-N 3.08Å
724	I	26.9	Very low	31.2	Very low	145 Å²	145	134.4 Å²	134.4	74%	0.744	71%	0.711	S	S	*	*			trans	-108.2	100.8	164.7	-58	-179.9	0	0	0	106.7	G726	I724-G726 PolarHBondContact O-N 2.81Å
725	H	28.7	Very low	31.8	Very low	165 Å²	165	132.8 Å²	132.8	76%	0.764	70%	0.698	S	S	*	*			trans	-60.3	112.3	162.2	-86.8	-75.1	0	0	0	108.6	E727	H725-E727 PolarHBondContact O-N 3.29Å
726	G	30.3	Very low	32.4	Very low	73 Å²	73	130 Å²	130	75%	0.753	69%	0.69	S	S	*	*			trans	-71.6	115.9	162.9	0	0	0	0	0	109.4	I724	I724-G726 PolarHBondContact O-N 2.81Å
727	E	35.8	Very low	33.1	Very low	172 Å²	172	125.1 Å²	125.1	80%	0.804	67%	0.669	S	S	*	*			trans	-64.7	148.8	173.7	-66.9	-176	163.2	0	0	111.5	H725 I729	H725-E727 PolarHBondContact O-N 3.29Å; E727-I729 PolarHBondContact O-N 3.1Å
728	P	36	Very low	33.3	Very low	75 Å²	75	129.5 Å²	129.5	49%	0.487	68%	0.675	S	S	.	*			trans	-62.9	134	179.3	24.6	-32.7	0	0	0	111.7	I730	P728-I730 PolarHBondContact O-N 3.09Å; P728-I730 VanDerWaalsContact O-N 3.12Å
729	I	36.7	Very low	34.2	Very low	136 Å²	136	123.4 Å²	123.4	70%	0.697	67%	0.665	S	S	*	*			trans	-72.8	105.9	176.9	-55.8	172.3	0	0	0	108.6	E727 K731	E727-I729 PolarHBondContact O-N 3.1Å; I729-K731 HydrophobicContact CG2-CG 4.22Å
730	I	36.9	Very low	34.5	Very low	103 Å²	103	121.2 Å²	121.2	53%	0.528	65%	0.651	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.2	116.5	173.8	-60.8	175.3	0	0	0	108.1	P728 K732 T745	P728-I730 PolarHBondContact O-N 3.09Å; P728-I730 VanDerWaalsContact O-N 3.12Å; I730-K732 HydrophobicContact CG2-CG 4.48Å; I730-T745 HydrophobicContact CG2-CG2 3.19Å
731	K	37	Very low	34.9	Very low	125 Å²	125	117.8 Å²	117.8	54%	0.543	64%	0.639	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.6	122.4	171.1	-67.1	-179.3	-178.4	168.5	0	109.3	I729 Y733 E746	I729-K731 HydrophobicContact CG2-CG 4.22Å; K731-Y733 HydrophobicContact CB-CE1 3.8Å; K731-E746 PolarHBondContact O-N 3.18Å
732	K	37.8	Very low	35.5	Very low	134 Å²	134	114.8 Å²	114.8	58%	0.583	62%	0.62	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-103.5	136.4	172.7	-73	-172.7	173.2	-165.2	0	109.8	I730 E743 T745	I730-K732 HydrophobicContact CG2-CG 4.48Å; K732-E743 IonicContact NZ-OE2 3.8Å; K732-T745 HydrophobicContact CG-CG2 4.02Å
733	Y	41.4	Very low	36.1	Very low	100 Å²	100	112.8 Å²	112.8	39%	0.392	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-138.9	144.7	167.5	8.9	-85.7	0	0	0	110.5	K731 I744 E746	K731-Y733 HydrophobicContact CB-CE1 3.8Å; Y733-I744 PolarHBondContact N-O 2.77Å; Y733-I744 PolarHBondContact O-N 3.46Å; Y733-E746 PolarHBondContact OH-OE2 3.13Å
734	T	39.5	Very low	36.8	Very low	87 Å²	87	110.5 Å²	110.5	53%	0.534	59%	0.594	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.6	117.6	174	-30.3	0	0	0	0	108.6	P741 V742 E743	T734-P741 HydrophobicContact CG2-CB 3.53Å; T734-V742 WeakPolarHBondContact CA-O 3.42Å; T734-E743 HydrophobicContact CG2-CG 4.3Å
735	K	39.7	Very low	37.3	Very low	133 Å²	133	107.2 Å²	107.2	58%	0.578	58%	0.581	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-111.3	129.3	175.9	-163.1	174.9	-177.1	179.8	0	108.2	I737 V742 I744	K735-I737 HydrophobicContact CG-CG1 4.46Å; K735-V742 PolarHBondContact N-O 3.11Å; K735-V742 PolarHBondContact O-N 2.93Å; K735-I744 HydrophobicContact CB-CD1 4.07Å; K735-I744 HydrophobicContact CD-CD1 4.27Å
736	I	40.9	Very low	37.8	Very low	119 Å²	119	105.1 Å²	105.1	61%	0.61	57%	0.571	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-82.3	119.4	174.8	-59.2	174.5	0	0	0	107.3	P741	I736-P741 HydrophobicContact CG1-CB 4.48Å
737	I	39.2	Very low	38.1	Very low	87 Å²	87	108.6 Å²	108.6	45%	0.446	57%	0.566	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.4	124.3	172.7	-55.5	176.9	0	0	0	105.3	K735 G739 V740	K735-I737 HydrophobicContact CG-CG1 4.46Å; I737-G739 VanDerWaalsContact C-N 3.27Å; I737-G739 PolarHBondContact O-N 3.27Å; I737-V740 PolarHBondContact N-O 2.87Å; I737-V740 PolarHBondContact O-N 2.79Å
738	D	36.6	Very low	38.2	Very low	165 Å²	165	108.6 Å²	108.6	88%	0.882	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	49.7	42.2	-177.7	-59	-31.8	0	0	0	115	V740	D738-V740 VanDerWaalsContact C-N 3.32Å; D738-V740 PolarHBondContact O-N 3.46Å
739	G	43.3	Very low	38	Very low	68 Å²	68	110.9 Å²	110.9	70%	0.701	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	79	5.6	171.4	0	0	0	0	0	115.8	I737	I737-G739 VanDerWaalsContact C-N 3.27Å; I737-G739 PolarHBondContact O-N 3.27Å
740	V	31.2	Very low	37.8	Very low	92 Å²	92	116.4 Å²	116.4	56%	0.558	59%	0.591	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.3	133.8	172.5	-173.7	0	0	0	0	110.4	I737 D738 V742	I737-V740 PolarHBondContact N-O 2.87Å; I737-V740 PolarHBondContact O-N 2.79Å; D738-V740 VanDerWaalsContact C-N 3.32Å; D738-V740 PolarHBondContact O-N 3.46Å; V740-V742 PolarHBondContact O-N 3.35Å
741	P	36.3	Very low	37.6	Very low	84 Å²	84	119.5 Å²	119.5	55%	0.545	60%	0.603	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-71.1	124.8	176.5	-9.1	23.8	0	0	0	110.9	T734 I736	T734-P741 HydrophobicContact CG2-CB 3.53Å; I736-P741 HydrophobicContact CG1-CB 4.48Å
742	V	39	Very low	37.1	Very low	70 Å²	70	122.7 Å²	122.7	42%	0.424	62%	0.62	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.2	128.1	174	-176.7	0	0	0	0	109.4	T734 K735 V740	T734-V742 WeakPolarHBondContact CA-O 3.42Å; K735-V742 PolarHBondContact N-O 3.11Å; K735-V742 PolarHBondContact O-N 2.93Å; V740-V742 PolarHBondContact O-N 3.35Å
743	E	38.2	Very low	36.7	Very low	123 Å²	123	126.5 Å²	126.5	58%	0.575	63%	0.631	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-78	124.1	174	-73.4	-167.6	168.7	0	0	110.8	K732 T734	K732-E743 IonicContact NZ-OE2 3.8Å; T734-E743 HydrophobicContact CG2-CG 4.3Å
744	I	42.1	Very low	36	Very low	64 Å²	64	129 Å²	129	33%	0.328	65%	0.649	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-113.9	137	175.3	-54.5	175.1	0	0	0	108.2	Y733 K735	Y733-I744 PolarHBondContact N-O 2.77Å; Y733-I744 PolarHBondContact O-N 3.46Å; K735-I744 HydrophobicContact CB-CD1 4.07Å; K735-I744 HydrophobicContact CD-CD1 4.27Å
745	T	36.8	Very low	35.3	Very low	76 Å²	76	132.3 Å²	132.3	47%	0.466	66%	0.662	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-119.8	118.1	-177.8	-44.5	0	0	0	0	109.4	I730 K732	I730-T745 HydrophobicContact CG2-CG2 3.19Å; K732-T745 HydrophobicContact CG-CG2 4.02Å
746	E	38.3	Very low	34.7	Very low	121 Å²	121	132.3 Å²	132.3	57%	0.565	67%	0.673	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.7	138.5	173.8	-92.9	-179.7	161.7	0	0	111	K731 Y733	K731-E746 PolarHBondContact O-N 3.18Å; Y733-E746 PolarHBondContact OH-OE2 3.13Å
747	K	37.2	Very low	33.9	Very low	146 Å²	146	130.1 Å²	130.1	64%	0.635	68%	0.68	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-123.4	112.2	179.8	-170.4	178.6	-177.2	-179.2	0	109.1
748	E	37.7	Very low	33.4	Very low	173 Å²	173	131.9 Å²	131.9	81%	0.808	70%	0.697	S	S	*	*			trans	-89.7	128.2	171.6	-83.8	-177.5	139.9	0	0	110.4
749	T	33.3	Very low	32.9	Very low	122 Å²	122	132.7 Å²	132.7	75%	0.748	70%	0.695	S	S	*	*			trans	-118.3	122.7	170.3	25	0	0	0	0	109.4
750	R	31.6	Very low	32	Very low	253 Å²	253	137.3 Å²	137.3	96%	0.955	70%	0.702	S	S	*	*			trans	-95.3	124.2	167.1	-86	-175.6	172.5	-168.8	-2.3	109.1
751	E	32	Very low	31.6	Very low	167 Å²	167	141.4 Å²	141.4	78%	0.78	71%	0.713	S	S	*	*			trans	-106.3	130.9	164.7	-76.4	-169.6	170.7	0	0	109.8
752	E	27.7	Very low	31.4	Very low	193 Å²	193	147.4 Å²	147.4	90%	0.902	73%	0.726	S	S	*	*			trans	-110.3	132.4	157.8	-74.5	-176.4	172.5	0	0	108.1
753	R	28.7	Very low	30.6	Very low	214 Å²	214	150.9 Å²	150.9	81%	0.808	75%	0.747	S	S	*	*			trans	-104.8	134.4	174.1	-80.3	-174.2	-178.6	-173	-0.2	110.6
754	I	26.1	Very low	30.2	Very low	153 Å²	153	156 Å²	156	79%	0.785	76%	0.761	S	S	*	*			trans	-115.2	134.5	159.7	-62.6	174.1	0	0	0	107.4
755	I	26.5	Very low	29.3	Very low	156 Å²	156	159.9 Å²	159.9	80%	0.8	78%	0.781	S	S	*	*			trans	-118.4	130.1	162.5	-60.2	178.2	0	0	0	108.1
756	T	26.1	Very low	28.8	Very low	132 Å²	132	160.9 Å²	160.9	81%	0.81	79%	0.791	S	S	*	*			trans	-96.2	161.5	-172	31.2	0	0	0	0	114
757	G	25.1	Very low	28.2	Very low	73 Å²	73	161.6 Å²	161.6	75%	0.753	80%	0.804	S	S	*	*			trans	149.6	154.4	147.1	0	0	0	0	0	114.3
758	P	26.7	Very low	27.7	Very low	124 Å²	124	158.3 Å²	158.3	81%	0.805	81%	0.812	S	S	*	*			cis	-123.4	162.2	-7.8	37.8	-21.9	0	0	0	114.6
759	E	27.4	Very low	27.3	Very low	182 Å²	182	154 Å²	154	85%	0.85	81%	0.814	S	S	*	*			trans	-83.4	144.6	162.2	-82.3	-175.7	148.1	0	0	111.4
760	I	23.2	Very low	27.5	Very low	166 Å²	166	151.6 Å²	151.6	85%	0.851	81%	0.813	S	S	*	*			trans	-129.3	137.7	156.9	-60.7	-179.6	0	0	0	109.4
761	K	24.4	Very low	27.6	Very low	178 Å²	178	147.1 Å²	147.1	77%	0.774	81%	0.808	S	S	*	*			trans	-79.3	160.9	-166.3	-80.1	177	173.5	176	0	116.4
762	Y	31.6	Very low	28.1	Very low	209 Å²	209	143.6 Å²	143.6	82%	0.82	80%	0.799	S	S	*	*			trans	-36.9	154.6	177.3	-47.7	-89.5	0	0	0	121.6
763	T	23	Very low	28.7	Very low	143 Å²	143	141.9 Å²	141.9	88%	0.877	79%	0.791	S	S	*	*			trans	-146	133.4	137.1	-29.3	0	0	0	0	111.9
764	R	28.4	Very low	29.4	Very low	230 Å²	230	139 Å²	139	87%	0.868	79%	0.786	S	S	*	*			trans	-91.1	148.8	172.9	-175.1	-174	-165.2	171.9	5	109.5
765	I	24.5	Very low	30.2	Very low	146 Å²	146	135.7 Å²	135.7	75%	0.749	77%	0.773	S	S	*	*			trans	-176.7	105.5	149.5	-89	144.5	0	0	0	106
766	S	25.8	Very low	30.9	Very low	97 Å²	97	133.7 Å²	133.7	68%	0.678	76%	0.763	S	S	*	*				60.5	132.3	106	96.3	0	0	0	0	112.7
767	T	25.8	Very low	31.7	Very low	136 Å²	136	134.4 Å²	134.4	83%	0.834	76%	0.756	S	S	*	*			cis	-159.5	144.8	33.4	39.8	0	0	0	0	104.7
768	G	26.6	Very low	32.6	Very low	77 Å²	77	138.7 Å²	138.7	79%	0.794	75%	0.753	S	S	*	*				118.3	136.9	72.9	0	0	0	0	0	108.9
769	G	29.5	Very low	33.2	Very low	83 Å²	83	138.3 Å²	138.3	86%	0.856	74%	0.744	S	S	*	*			trans	88.1	110.9	165.4	0	0	0	0	0	114.8
770	G	36	Very low	33.5	Very low	71 Å²	71	136.9 Å²	136.9	73%	0.732	74%	0.735	S	S	*	*			trans	-73.9	153.8	-177.1	0	0	0	0	0	113.9
771	D	34.1	Very low	34.3	Very low	159 Å²	159	136.1 Å²	136.1	85%	0.85	73%	0.728	S	S	*	*			trans	-148.2	144.9	140.5	-88.2	-37.4	0	0	0	107.6
772	T	43.5	Very low	35.1	Very low	94 Å²	94	135 Å²	135	58%	0.577	73%	0.726	S	S	*	*			trans	-68	152.1	-161.2	40.2	0	0	0	0	114.3	E774 T775	T772-E774 PolarHBondContact O-N 3.32Å; T772-T775 PolarHBondContact O-N 3.36Å; T772-T775 PolarHBondContact O-OG1 3.46Å
773	E	39.5	Very low	35.5	Very low	157 Å²	157	132.7 Å²	132.7	73%	0.734	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.6	-6.7	177.8	-155.9	175.1	174.2	0	0	114.5	T775	E773-T775 VanDerWaalsContact C-N 3.3Å
774	E	43.3	Very low	36.1	Very low	153 Å²	153	130.9 Å²	130.9	72%	0.715	71%	0.711	S	S	*	*	H	α-helix	trans	-72.7	-19	170.1	-81.6	177.6	140.6	0	0	113.7	T772	T772-E774 PolarHBondContact O-N 3.32Å
775	T	44	Very low	36.5	Very low	83 Å²	83	125.6 Å²	125.6	51%	0.509	70%	0.704	S	S	.	*	H	α-helix	trans	-82.6	-24.6	178.7	-29.3	0	0	0	0	112.4	T772 E773	T772-T775 PolarHBondContact O-N 3.36Å; T772-T775 PolarHBondContact O-OG1 3.46Å; E773-T775 VanDerWaalsContact C-N 3.3Å
776	L	39.7	Very low	37.1	Very low	114 Å²	114	127.5 Å²	127.5	60%	0.597	71%	0.707	S	S	*	*	H	α-helix	trans	-83.8	-26.1	175.2	-84.8	155.4	0	0	0	112.9	F780	L776-F780 PolarHBondContact O-N 2.97Å
777	K	42.8	Very low	37.4	Very low	148 Å²	148	129 Å²	129	64%	0.643	71%	0.712	S	S	*	*	H	α-helix	trans	-71.6	-29.7	172.1	-77.8	-179	177.8	173.5	0	112.9	Q781	K777-Q781 PolarHBondContact O-N 3.24Å
778	K	44.7	Very low	37.7	Very low	162 Å²	162	128.6 Å²	128.6	70%	0.704	71%	0.709	S	S	*	*	H	α-helix	trans	-74.7	-27.2	174.6	-98.8	-178.9	175.2	176.4	0	114.2
779	L	39	Very low	38	Very low	116 Å²	116	134.2 Å²	134.2	61%	0.607	71%	0.712	S	S	*	*	H	α-helix	trans	-78.2	-23.9	176.2	-87.3	155.3	0	0	0	113.5
780	F	35	Very low	38.1	Very low	153 Å²	153	140 Å²	140	67%	0.671	71%	0.714	S	S	*	*	H	α-helix	trans	-90.5	-8.9	174.6	-88.3	-80.6	0	0	0	114.4	L776	L776-F780 PolarHBondContact O-N 2.97Å
781	Q	39.2	Very low	38	Very low	149 Å²	149	144 Å²	144	70%	0.696	72%	0.717	S	S	*	*	S	Bend	trans	-91.9	-5.3	175.6	-133.3	157.5	5.1	0	0	113.4	K777	K777-Q781 PolarHBondContact O-N 3.24Å
782	E	42.1	Very low	37.8	Very low	156 Å²	156	145.9 Å²	145.9	73%	0.729	72%	0.72	S	S	*	*	S	Bend	trans	-101.2	-0.7	173.9	-79.6	-172.5	152.1	0	0	115
783	E	38.9	Very low	37	Very low	159 Å²	159	145.6 Å²	145.6	74%	0.743	74%	0.736	S	S	*	*	S	Bend	trans	-117.8	-0.9	173.6	-76.5	-163.3	148.4	0	0	115.7
784	V	35.1	Very low	36.3	Very low	105 Å²	105	141.8 Å²	141.8	64%	0.636	74%	0.739	S	S	*	*	S	Bend	trans	-110.7	17.7	174.9	-167.8	0	0	0	0	112.7
785	T	37	Very low	35.6	Very low	119 Å²	119	142.9 Å²	142.9	73%	0.73	75%	0.75	S	S	*	*	S	Bend	trans	-104.6	18.1	164.4	32.7	0	0	0	0	113.1
786	K	37.3	Very low	34.8	Very low	186 Å²	186	142.4 Å²	142.4	81%	0.809	76%	0.761	S	S	*	*	S	Bend	trans	-120.1	0.7	175.7	-89.9	-178.8	178.9	171.5	0	116.5
787	V	31.7	Very low	34.3	Very low	130 Å²	130	146.1 Å²	146.1	79%	0.788	78%	0.776	S	S	*	*	S	Bend	trans	-132.4	14.1	-179	-166.1	0	0	0	0	114.2
788	T	31.9	Very low	33.6	Very low	126 Å²	126	147.2 Å²	147.2	77%	0.773	79%	0.788	S	S	*	*	S	Bend	trans	-124.6	46.6	164.5	29.8	0	0	0	0	111.4
789	K	34.5	Very low	32.9	Very low	195 Å²	195	146.8 Å²	146.8	85%	0.848	79%	0.792	S	S	*	*	S	Bend	trans	-135.3	76.8	154.9	-99.9	-170	175.6	-178	0	107
790	F	32	Very low	32.8	Very low	204 Å²	204	149.9 Å²	149.9	90%	0.895	80%	0.803	S	S	*	*	S	Bend	trans	-158.4	4.9	159.6	-128.4	-84.6	0	0	0	115.1
791	I	32.7	Very low	32.9	Very low	157 Å²	157	149.2 Å²	149.2	81%	0.805	81%	0.807	S	S	*	*	S	Bend	trans	-139.4	125.2	173.4	-53.1	-179.4	0	0	0	106.6
792	E	29.6	Very low	32.9	Very low	197 Å²	197	150.8 Å²	150.8	92%	0.921	81%	0.814	S	S	*	*	S	Bend	trans	92.7	96.2	-176.3	-57	-176.1	178.6	0	0	116.6
793	G	27	Very low	32.7	Very low	88 Å²	88	151.5 Å²	151.5	91%	0.907	82%	0.818	S	S	*	*			trans	166.1	89	166.2	0	0	0	0	0	111.4
794	G	26	Very low	32.7	Very low	77 Å²	77	149.7 Å²	149.7	79%	0.794	81%	0.812	S	S	*	*			trans	-163.9	35.2	177.4	0	0	0	0	0	114.2
795	D	27.8	Very low	32.9	Very low	176 Å²	176	153.6 Å²	153.6	94%	0.941	82%	0.82	S	S	*	*			trans	-159	139.3	161.8	-117.7	-13.8	0	0	0	108.3
796	G	27.3	Very low	33.1	Very low	73 Å²	73	158.7 Å²	158.7	75%	0.753	83%	0.826	S	S	*	*			trans	129.4	106.3	161.7	0	0	0	0	0	117
797	H	28.4	Very low	33	Very low	193 Å²	193	157.3 Å²	157.3	89%	0.894	83%	0.827	S	S	*	*			trans	-25.2	141.1	154.5	-77.3	-74.4	0	0	0	117.4
798	L	29.6	Very low	33.3	Very low	171 Å²	171	158.3 Å²	158.3	90%	0.895	83%	0.827	S	S	*	*			trans	-96.5	125.9	159.5	-79.5	161.4	0	0	0	109.8
799	L	29.5	Very low	33.6	Very low	153 Å²	153	161 Å²	161	80%	0.801	83%	0.831	S	S	*	*			trans	-117.9	115.5	154.1	-87.1	166.2	0	0	0	108.4
800	E	36.7	Very low	33.7	Very low	180 Å²	180	155.3 Å²	155.3	84%	0.841	83%	0.827	S	S	*	*			trans	62	134.8	140.7	-62.6	-178.8	175.4	0	0	124.1
801	D	37.8	Very low	33.7	Very low	140 Å²	140	153.2 Å²	153.2	75%	0.749	83%	0.825	S	S	*	*	S	Bend	trans	-95.3	22	-157.7	-93.3	-38.7	0	0	0	116
802	E	38.3	Very low	33.9	Very low	181 Å²	181	152.5 Å²	152.5	85%	0.846	83%	0.828	S	S	*	*	S	Bend	trans	-93.8	-9.6	-171.3	-109.6	-167.7	169.7	0	0	117.2
803	E	37.2	Very low	34	Very low	172 Å²	172	149.1 Å²	149.1	80%	0.804	82%	0.824	S	S	*	*	S	Bend	trans	-96.9	-11.9	-179.9	-79.6	-171.8	143	0	0	115.2	K805	E803-K805 VanDerWaalsContact C-N 3.34Å; E803-K805 PolarHBondContact O-N 3.16Å
804	I	38.7	Very low	34.2	Very low	121 Å²	121	151.5 Å²	151.5	62%	0.621	82%	0.82	S	S	*	*	G	3₁₀ helix	trans	-79.7	-18.3	-178.8	-62.5	176.7	0	0	0	112.1	R806	I804-R806 PolarHBondContact O-N 3.45Å
805	K	39.4	Very low	34.4	Very low	187 Å²	187	158.8 Å²	158.8	81%	0.813	82%	0.824	S	S	*	*	G	3₁₀ helix	trans	-78.3	-10.1	178.3	-89.7	-179.3	179.1	170.5	0	115.3	E803	E803-K805 VanDerWaalsContact C-N 3.34Å; E803-K805 PolarHBondContact O-N 3.16Å
806	R	41.3	Very low	34.3	Very low	225 Å²	225	160.5 Å²	160.5	85%	0.849	82%	0.823	S	S	*	*	G	3₁₀ helix	trans	-100.9	-3.7	-177.4	-74.9	-171.6	-179.7	179	3.5	115.5	I804	I804-R806 PolarHBondContact O-N 3.45Å
807	L	35.3	Very low	34.4	Very low	157 Å²	157	163.6 Å²	163.6	82%	0.822	82%	0.822	S	S	*	*	S	Bend	trans	-104.5	0.4	-178	-80.9	161	0	0	0	114.7
808	L	38.4	Very low	34.4	Very low	152 Å²	152	163 Å²	163	80%	0.796	82%	0.819	S	S	*	*	S	Bend	trans	-107.2	5.2	-177	-76.6	170.1	0	0	0	115.4
809	Q	38.6	Very low	34.5	Very low	182 Å²	182	159.3 Å²	159.3	85%	0.85	81%	0.813	S	S	*	*	S	Bend	trans	-123.9	91.1	171.9	-73.5	-178.4	-11	0	0	108.9	D811	Q809-D811 PolarHBondContact O-N 3.45Å
810	G	36.9	Very low	34.7	Very low	75 Å²	75	159.7 Å²	159.7	77%	0.773	82%	0.816	S	S	*	*			trans	-68	116.4	175.1	0	0	0	0	0	110.8
811	D	30.3	Very low	34.3	Very low	160 Å²	160	161 Å²	161	86%	0.856	82%	0.819	S	S	*	*			trans	-151.5	125.5	155.4	-100.5	-25.3	0	0	0	109.4	Q809	Q809-D811 PolarHBondContact O-N 3.45Å
812	T	38	Very low	34.1	Very low	142 Å²	142	163.5 Å²	163.5	87%	0.871	82%	0.823	S	S	*	*			trans	-72.9	145.9	176.8	30.4	0	0	0	0	112.6
813	P	31.6	Very low	33.7	Very low	127 Å²	127	163 Å²	163	83%	0.825	82%	0.818	S	S	*	*			trans	-122.9	143.7	153.3	21.6	-2.4	0	0	0	114.9
814	V	30.3	Very low	33.5	Very low	138 Å²	138	162.9 Å²	162.9	84%	0.836	82%	0.818	S	S	*	*			trans	-73.7	150.2	175	169.6	0	0	0	0	112.3
815	R	30.3	Very low	33.1	Very low	229 Å²	229	160.6 Å²	160.6	86%	0.864	82%	0.824	S	S	*	*			trans	-13.1	139.7	163.4	-82.9	176.6	165.2	174.4	-3.7	118.2
816	K	27.2	Very low	32.6	Very low	212 Å²	212	157.1 Å²	157.1	92%	0.922	82%	0.824	S	S	*	*				-159.4	155.4	120.6	-110.6	173.6	-172.7	179.2	0	114.2
817	L	28.4	Very low	32.2	Very low	139 Å²	139	157.6 Å²	157.6	73%	0.728	83%	0.825	S	S	*	*			trans	-81.2	166.4	-165.2	-94	124.5	0	0	0	116
818	Q	29.5	Very low	32.1	Very low	181 Å²	181	159.5 Å²	159.5	85%	0.846	82%	0.821	S	S	*	*			trans	75.7	145.9	149	-79.5	171	5.2	0	0	117.5
819	A	30.1	Very low	31.8	Very low	93 Å²	93	162.3 Å²	162.3	77%	0.769	82%	0.822	S	S	*	*			cis	-166	160.3	-2	0	0	0	0	0	109.6
820	N	33.3	Very low	31.5	Very low	160 Å²	160	158.7 Å²	158.7	86%	0.856	82%	0.816	S	S	*	*			trans	-41.9	147.1	164.8	-85.1	-33.7	0	0	0	115.4
821	K	30	Very low	31.4	Very low	209 Å²	209	165.2 Å²	165.2	91%	0.909	82%	0.817	S	S	*	*				-162.6	121.7	125.2	-112.8	173	-177.1	178.5	0	113.1
822	K	32.6	Very low	31.7	Very low	192 Å²	192	165.4 Å²	165.4	84%	0.835	81%	0.813	S	S	*	*			trans	-66.1	152.3	155.6	-82.3	176.7	171.2	174.7	0	109.9
823	F	30.8	Very low	31.4	Very low	169 Å²	169	162.1 Å²	162.1	74%	0.741	81%	0.808	S	S	*	*				-173	135.5	116	-120.4	-110.2	0	0	0	112.8
824	Q	32.1	Very low	31.7	Very low	171 Å²	171	167.6 Å²	167.6	80%	0.799	81%	0.812	S	S	*	*			trans	33.1	142.5	145.2	-66	178.7	-14.6	0	0	121.2
825	G	29.8	Very low	32.1	Very low	73 Å²	73	165.9 Å²	165.9	75%	0.753	81%	0.807	S	S	*	*			cis	159.2	170.7	5.4	0	0	0	0	0	111.3
826	S	29.4	Very low	32.6	Very low	114 Å²	114	167.9 Å²	167.9	80%	0.797	83%	0.826	S	S	*	*			trans	85.2	109.9	151.2	-158.3	0	0	0	0	121.5
827	R	32.8	Very low	32.9	Very low	235 Å²	235	165.7 Å²	165.7	89%	0.887	82%	0.821	S	S	*	*				138.5	147.2	125.1	-78.8	-175.2	172	171.2	-2.8	110
828	R	33.1	Very low	33.1	Very low	196 Å²	196	167.1 Å²	167.1	74%	0.74	83%	0.826	S	S	*	*			cis	165.1	128.9	-21.3	-145.9	-172.8	-174	178.4	3.4	104.1
829	R	32.3	Very low	33.3	Very low	212 Å²	212	166.3 Å²	166.3	80%	0.8	83%	0.825	S	S	*	*			trans	63.6	152.7	154.5	-73.1	173.2	174.9	-175.9	-4.3	117.5
830	S	32.5	Very low	33.5	Very low	105 Å²	105	170.6 Å²	170.6	73%	0.734	83%	0.828	S	S	*	*			cis	-160.3	138.6	9.8	40.2	0	0	0	0	107
831	R	35.2	Very low	33.5	Very low	212 Å²	212	171.3 Å²	171.3	80%	0.8	83%	0.826	S	S	*	*				63.2	126.8	89.2	-125.9	-168.7	-167.1	-171	3	116.3
832	E	36.2	Very low	33.8	Very low	164 Å²	164	168.8 Å²	168.8	77%	0.766	82%	0.821	S	S	*	*			trans	78.4	123.8	148.7	-83.9	158.5	-161.9	0	0	121.2
833	G	33.1	Very low	33.9	Very low	74 Å²	74	167.1 Å²	167.1	76%	0.763	82%	0.82	S	S	*	*				122.7	100	119	0	0	0	0	0	119.1
834	R	36.2	Very low	34.1	Very low	241 Å²	241	167 Å²	167	91%	0.909	83%	0.826	S	S	*	*			trans	53	125.8	131.3	-106.1	178.5	-179.9	171.6	-1.4	122.5
835	S	39.5	Very low	34.3	Very low	103 Å²	103	166.7 Å²	166.7	72%	0.72	83%	0.828	S	S	*	*			trans	50.8	112.2	136.7	66	0	0	0	0	120.2
836	Q	41.4	Very low	34.7	Very low	271 Å²	271	175.2 Å²	175.2	100%	1.266	84%	0.835	S	S	*	*				-156.4	0	100.9	-102.5	179.8	1.5	0	0	109.6

Retrieved 836 of 836 residues in 2475.1 ms (Link to these results)

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