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Lysine-specific demethylase

Histone demethylase that specifically demethylates 'Lys-9' of histone H3, thereby playing a central role in histone code.

AlphaFold DB , UniProt , Accession A0A023ULC4, Species MOUSE (Mus musculus, Mouse), Gene Kdm3a, Length 831 aa.

						>A0A023ULC4_MOUSE|A0A023ULC4|Kdm3a
MFWGDWKNIMEGAPAPARKSVLTDPDKVRKLQQSGEAFVQDDSCVNIVAQLPKCRECRLDSLRKDKDQQKDSPVFCRFFHFRRLQFNKHGVLRVEGFLTPNKYDSEAIGLWLPLTKNVVGTDLDTAKYILANIGDHFCQMVISEKEAMSTIEPHRQVAWKRAVKGVREMCDVCDTTIFNLHWVCPRCGFGVCVDCYRMKRKNCQQGAAYKTFSWIRCVKSQIHEPENLMPTQIIPGKALYDVGDIVHSVRAKWGIKANCPCSNRQFKLFSKPALKEDLKQTSLSGEKPTLGTMVQQSSPVLEPVAVCGEAASKPASSVKPTCPTSTSPLNWLADLTSGNVNKENKEKQLTMPILKNEIKCLPPLPPLNKPSTVLHTFNSTILTPVSNNNSGFLRNLLNSSTAKTENGLKNTPKILDDIFASLVQNKTSSDSSKRPQGLTIKPSILGFDTPHYWLCDNRLLCLQDPNNKSNWNVFRECWKQGQPVMVSGVHHKLNTELWKPESFRKEFGEQEVDLVNCRTNEIITGATVGDFWDGFEDVPNRLKNDKEKEPMVLKLKDWPPGEDFRDMMPSRFDDLMANIPLPEYTRRDGKLNLASRLPNYFVRPDLGPKMYNAYGLITPEDRKYGTTNLHLDVSDAANVMVYVGIPKGQCEQEEEVLRTIQDGDSDELTIKRFIEGKEKPGALWHIYAAKDTEKIREFLKKVSEEQGQDNPADHDPIHDQSWYLDRSLRKRLYQEYGVQGWAIVQFLGDVVFIPAGAPHQVHNLYSCIKVAEDFVSPEHVKHCFWLTQEFRYLSQTHTNHEDKLQVKNVIYHAVKDAVAMLKASESSLGKP
					

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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	29.4	Very low	27.2	Very low	231 Å²	231	147.8 Å²	147.8	100%	1.138	70%	0.699	S	S	*	*				0	51.2	0	-165.5	-179.9	-76	0	0	110.5
2	F	24.1	Very low	27.3	Very low	175 Å²	175	139.7 Å²	139.7	77%	0.768	68%	0.684	S	S	*	*			trans	-147.5	35.5	-174.8	-88.8	-71.4	0	0	0	111.7
3	W	28.3	Very low	27	Very low	249 Å²	249	135 Å²	135	94%	0.943	68%	0.682	S	S	*	*			trans	-118.7	8.1	-176.4	-90	59.4	0	0	0	113.2
4	G	23	Very low	27.4	Very low	49 Å²	49	134.3 Å²	134.3	51%	0.505	69%	0.691	S	S	.	*	S	Bend	trans	-83	-42.1	175.9	0	0	0	0	0	113.4	W6	G4-W6 PolarHBondContact O-N 3.33Å
5	D	24.7	Very low	27.8	Very low	103 Å²	103	131.1 Å²	131.1	55%	0.551	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-25.2	-163.7	-54.4	-65.1	0	0	0	114.6	K7 N8 I9	D5-K7 PolarHBondContact O-N 3.47Å; D5-N8 PolarHBondContact O-N 2.95Å; D5-I9 WeakPolarHBondContact O-CG1 3.44Å
6	W	28.2	Very low	28.3	Very low	192 Å²	192	130.4 Å²	130.4	73%	0.727	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-29.7	-179.2	-84	79.1	0	0	0	113.5	G4 N8 I9 M10	G4-W6 PolarHBondContact O-N 3.33Å; W6-N8 VanDerWaalsContact C-N 3.34Å; W6-N8 PolarHBondContact O-N 3.42Å; W6-I9 PolarHBondContact O-N 3.06Å; W6-M10 PolarHBondContact O-N 3.29Å
7	K	26.5	Very low	29.5	Very low	130 Å²	130	128 Å²	128	57%	0.565	70%	0.7	S	S	*	*	H	α-helix	trans	-65.9	-40.6	178.1	-146.5	177.9	-164.6	-107	0	110.9	D5 I9 M10 E11	D5-K7 PolarHBondContact O-N 3.47Å; K7-I9 PolarHBondContact O-N 3.26Å; K7-I9 VanDerWaalsContact O-N 3.13Å; K7-M10 PolarHBondContact O-N 3.19Å; K7-E11 VanDerWaalsContact CE-OE1 3.25Å; K7-E11 WeakPolarHBondContact CE-OE1 3.23Å; K7-E11 IonicContact NZ-OE1 2.6Å; K7-E11 PolarHBondContact NZ-OE1 3.25Å; K7-E11 IonicContact NZ-OE2 2.87Å; K7-E11 WeakPolarHBondContact O-CA 3.46Å; K7-E11 WeakPolarHBondContact O-CB 3.28Å; K7-E11 PolarHBondContact O-N 3.47Å
8	N	24.4	Very low	31.2	Very low	121 Å²	121	131.6 Å²	131.6	65%	0.647	70%	0.702	S	S	*	*	H	α-helix	trans	-66.1	-9.9	175.6	-64	-37.8	0	0	0	114.7	D5 W6	D5-N8 PolarHBondContact O-N 2.95Å; W6-N8 VanDerWaalsContact C-N 3.34Å; W6-N8 PolarHBondContact O-N 3.42Å
9	I	31.6	Very low	33.2	Very low	122 Å²	122	134.4 Å²	134.4	63%	0.626	71%	0.707	S	S	*	*	H	α-helix	trans	-100.4	-33.3	179.2	-64.4	169.6	0	0	0	111.2	D5 W6 K7	D5-I9 WeakPolarHBondContact O-CG1 3.44Å; W6-I9 PolarHBondContact O-N 3.06Å; K7-I9 PolarHBondContact O-N 3.26Å; K7-I9 VanDerWaalsContact O-N 3.13Å
10	M	28.8	Very low	35.7	Very low	143 Å²	143	128 Å²	128	70%	0.704	67%	0.674	S	S	*	*	H	α-helix	trans	-81.9	-50.1	172.5	-72.6	-76.7	-120.4	0	0	111.5	W6 K7 G12	W6-M10 PolarHBondContact O-N 3.29Å; K7-M10 PolarHBondContact O-N 3.19Å; M10-G12 PolarHBondContact O-N 3.41Å
11	E	30.4	Very low	38.1	Very low	111 Å²	111	123.1 Å²	123.1	52%	0.519	65%	0.649	S	S	.	*	S	Bend	trans	-78.1	69.3	164.1	-68.1	170.9	-151.4	0	0	108.8	K7 A13	K7-E11 VanDerWaalsContact CE-OE1 3.25Å; K7-E11 WeakPolarHBondContact CE-OE1 3.23Å; K7-E11 IonicContact NZ-OE1 2.6Å; K7-E11 PolarHBondContact NZ-OE1 3.25Å; K7-E11 IonicContact NZ-OE2 2.87Å; K7-E11 WeakPolarHBondContact O-CA 3.46Å; K7-E11 WeakPolarHBondContact O-CB 3.28Å; K7-E11 PolarHBondContact O-N 3.47Å; E11-A13 PolarHBondContact O-N 3Å
12	G	28	Very low	40.9	Very low	50 Å²	50	114.3 Å²	114.3	52%	0.515	61%	0.607	S	S	.	*			trans	-62.2	90.4	164.3	0	0	0	0	0	108.6	M10	M10-G12 PolarHBondContact O-N 3.41Å
13	A	23.7	Very low	43.8	Very low	79 Å²	79	110 Å²	110	65%	0.653	60%	0.595	S	S	*	*			trans	-43.5	132.2	-167.3	0	0	0	0	0	111.2	E11 A15	E11-A13 PolarHBondContact O-N 3Å; A13-A15 PolarHBondContact O-N 3.06Å
14	P	33.1	Very low	46.7	Very low	125 Å²	125	100.3 Å²	100.3	81%	0.812	56%	0.561	S	S	*	*			trans	-56.9	108.1	-168.9	22.3	-33.4	0	0	0	109.5	P16	P14-P16 VanDerWaalsContact O-N 3.07Å
15	A	33.5	Very low	49.8	Very low	86 Å²	86	102.3 Å²	102.3	71%	0.711	57%	0.565	S	S	*	*			trans	-49.7	120.1	-173	0	0	0	0	0	108.3	A13 A17	A13-A15 PolarHBondContact O-N 3.06Å; A15-A17 WeakPolarHBondContact O-CA 3.47Å; A15-A17 PolarHBondContact O-N 3.14Å
16	P	34.4	Very low	52.9	Low	121 Å²	121	102.2 Å²	102.2	79%	0.786	57%	0.565	S	S	*	*			trans	-53	113.1	-152.7	16.7	-31.9	0	0	0	109.4	P14 R18	P14-P16 VanDerWaalsContact O-N 3.07Å; P16-R18 PolarHBondContact O-N 3.2Å
17	A	49.1	Very low	55.8	Low	89 Å²	89	98.3 Å²	98.3	74%	0.736	55%	0.553	S	S	*	*			trans	-46.8	111.8	-160.7	0	0	0	0	0	109.4	A15 K19	A15-A17 WeakPolarHBondContact O-CA 3.47Å; A15-A17 PolarHBondContact O-N 3.14Å; A17-K19 VanDerWaalsContact C-N 3.31Å; A17-K19 PolarHBondContact O-N 3.04Å
18	R	60	Low	58.8	Low	193 Å²	193	93.3 Å²	93.3	73%	0.728	53%	0.533	S	S	*	.			trans	-61	96	-170.2	-74.4	-172.7	-176	163.8	7.9	107.6	P16 S20 E106	P16-R18 PolarHBondContact O-N 3.2Å; R18-S20 PolarHBondContact O-N 2.86Å; R18-E106 IonicContact NH2-OE2 3.6Å; R18-E106 PolarHBondContact NH2-OE2 3.26Å
19	K	70	Confident	61.9	Low	184 Å²	184	93.6 Å²	93.6	80%	0.8	53%	0.525	S	S	*	.			trans	-54.2	131.4	-179.3	-62.6	-173.3	176.6	-176.6	0	107.8	A17 V21 T23	A17-K19 VanDerWaalsContact C-N 3.31Å; A17-K19 PolarHBondContact O-N 3.04Å; K19-V21 PolarHBondContact O-N 3.44Å; K19-T23 WeakPolarHBondContact CB-OG1 3.36Å
20	S	82.7	Confident	64.7	Low	6 Å²	6	94.3 Å²	94.3	4%	0.042	52%	0.524	C	S	.	.			trans	-50.5	142.7	-175.3	168.4	0	0	0	0	110.7	R18 L22 T23 D41	R18-S20 PolarHBondContact O-N 2.86Å; S20-L22 PolarHBondContact O-N 3.03Å; S20-L22 PolarHBondContact OG-N 2.63Å; S20-T23 WeakPolarHBondContact O-CB 3.49Å; S20-T23 PolarHBondContact O-N 3.13Å; S20-T23 PolarHBondContact O-OG1 3Å; S20-D41 WeakPolarHBondContact CA-OD2 3.14Å; S20-D41 VanDerWaalsContact CB-OD1 3.31Å; S20-D41 WeakPolarHBondContact CB-OD1 3.28Å; S20-D41 PolarHBondContact OG-OD1 2.78Å
21	V	86.2	Confident	67.8	Low	27 Å²	27	88.4 Å²	88.4	16%	0.164	50%	0.495	C	S	.	.	G	3₁₀ helix	trans	-52.1	-23.2	175.3	70.1	0	0	0	0	112.8	K19 K27 L31 F38 D41	K19-V21 PolarHBondContact O-N 3.44Å; V21-K27 HydrophobicContact CG2-CB 3.81Å; V21-K27 HydrophobicContact CG2-CD 3.9Å; V21-K27 HydrophobicContact CG2-CG 4.48Å; V21-L31 HydrophobicContact CG1-CD1 4.35Å; V21-L31 HydrophobicContact CG2-CD1 3.66Å; V21-F38 HydrophobicContact CG1-CD2 3.52Å; V21-F38 HydrophobicContact CG1-CE2 3.56Å; V21-F38 HydrophobicContact CG1-CG 4.29Å; V21-F38 HydrophobicContact CG1-CZ 4.35Å; V21-D41 PolarHBondContact N-OD2 3Å
22	L	87.3	Confident	70.6	Confident	45 Å²	45	87.3 Å²	87.3	24%	0.236	49%	0.49	C	S	.	.	G	3₁₀ helix	trans	-79.8	-12.7	176.8	-62.4	179.4	0	0	0	114.7	S20 D24 V28 F38 I47 F86 L92	S20-L22 PolarHBondContact O-N 3.03Å; S20-L22 PolarHBondContact OG-N 2.63Å; L22-D24 VanDerWaalsContact C-N 3.32Å; L22-V28 HydrophobicContact CD2-CG2 4.04Å; L22-F38 HydrophobicContact CD1-CZ 4.36Å; L22-F38 HydrophobicContact CD2-CE2 4.35Å; L22-F38 HydrophobicContact CD2-CZ 3.81Å; L22-F38 HydrophobicContact CG-CE2 4.34Å; L22-F38 HydrophobicContact CG-CZ 4.23Å; L22-I47 HydrophobicContact CD1-CB 4.3Å; L22-I47 HydrophobicContact CD1-CG1 4.12Å; L22-I47 HydrophobicContact CD1-CG2 3.6Å; L22-F86 HydrophobicContact CD2-CE2 4.19Å; L22-F86 HydrophobicContact CD2-CZ 3.75Å; L22-L92 HydrophobicContact CD1-CD2 4.08Å
23	T	86.4	Confident	73.5	Confident	86 Å²	86	92.2 Å²	92.2	53%	0.528	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-85.9	-4	173.6	66.6	0	0	0	0	113.4	K19 S20	K19-T23 WeakPolarHBondContact CB-OG1 3.36Å; S20-T23 WeakPolarHBondContact O-CB 3.49Å; S20-T23 PolarHBondContact O-N 3.13Å; S20-T23 PolarHBondContact O-OG1 3Å
24	D	88.1	Confident	76.7	Confident	44 Å²	44	91.2 Å²	91.2	24%	0.235	49%	0.488	C	S	.	.			trans	-111.5	107.1	-178.3	-178.1	-47.8	0	0	0	109.8	L22 D26 K27 V28	L22-D24 VanDerWaalsContact C-N 3.32Å; D24-D26 VanDerWaalsContact C-N 3.26Å; D24-D26 PolarHBondContact O-N 2.84Å; D24-D26 PolarHBondContact OD1-N 3.32Å; D24-D26 VanDerWaalsContact OD1-N 3.08Å; D24-K27 HydrophobicContact CB-CB 4.01Å; D24-K27 HydrophobicContact CB-CD 4.12Å; D24-K27 HydrophobicContact CB-CG 4.06Å; D24-K27 PolarHBondContact O-N 3.31Å; D24-K27 PolarHBondContact OD1-N 3.04Å; D24-K27 IonicContact OD2-NZ 3.61Å; D24-K27 PolarHBondContact OD2-NZ 2.78Å; D24-V28 WeakPolarHBondContact O-CG2 3.31Å; D24-V28 PolarHBondContact O-N 2.95Å
25	P	89.1	Confident	79.4	Confident	91 Å²	91	86.4 Å²	86.4	59%	0.591	46%	0.461	S	S	*	.	H	α-helix	trans	-60.7	-30.3	-174.4	-26.9	36	0	0	0	114.6	R29	P25-R29 WeakPolarHBondContact O-CB 3.28Å; P25-R29 PolarHBondContact O-N 2.81Å
26	D	90.4	Very high	82.1	Confident	101 Å²	101	87.7 Å²	87.7	54%	0.54	45%	0.452	S	S	.	.	H	α-helix	trans	-81.4	-36.3	-178	-66.4	-41.4	0	0	0	111.2	D24 R29 K30	D24-D26 VanDerWaalsContact C-N 3.26Å; D24-D26 PolarHBondContact O-N 2.84Å; D24-D26 PolarHBondContact OD1-N 3.32Å; D24-D26 VanDerWaalsContact OD1-N 3.08Å; D26-R29 PolarHBondContact O-N 2.65Å; D26-R29 IonicContact OD1-CZ 3.37Å; D26-R29 IonicContact OD1-NH1 2.65Å; D26-R29 PolarHBondContact OD1-NH1 2.98Å; D26-R29 IonicContact OD1-NH2 3.41Å; D26-R29 PolarHBondContact OD1-NH2 2.67Å; D26-K30 WeakPolarHBondContact O-CB 3.07Å; D26-K30 PolarHBondContact O-N 3.23Å
27	K	88.9	Confident	84.9	Confident	111 Å²	111	82.9 Å²	82.9	48%	0.483	42%	0.423	S	S	.	.	H	α-helix	trans	-64.4	-42.3	168	-65.9	-171.9	-172.3	87.7	0	111.5	V21 D24 K30 L31	V21-K27 HydrophobicContact CG2-CB 3.81Å; V21-K27 HydrophobicContact CG2-CD 3.9Å; V21-K27 HydrophobicContact CG2-CG 4.48Å; D24-K27 HydrophobicContact CB-CB 4.01Å; D24-K27 HydrophobicContact CB-CD 4.12Å; D24-K27 HydrophobicContact CB-CG 4.06Å; D24-K27 PolarHBondContact O-N 3.31Å; D24-K27 PolarHBondContact OD1-N 3.04Å; D24-K27 IonicContact OD2-NZ 3.61Å; D24-K27 PolarHBondContact OD2-NZ 2.78Å; K27-K30 PolarHBondContact O-N 3.5Å; K27-L31 WeakPolarHBondContact O-CG 3.31Å; K27-L31 PolarHBondContact O-N 3.37Å
28	V	89.5	Confident	87	Confident	24 Å²	24	79.9 Å²	79.9	15%	0.145	39%	0.393	C	S	.	.	H	α-helix	trans	-59.4	-49.1	173.8	170.5	0	0	0	0	111	L22 D24 K30 L31 Q32 F86	L22-V28 HydrophobicContact CD2-CG2 4.04Å; D24-V28 WeakPolarHBondContact O-CG2 3.31Å; D24-V28 PolarHBondContact O-N 2.95Å; V28-K30 VanDerWaalsContact C-N 3.32Å; V28-K30 PolarHBondContact O-N 3Å; V28-L31 PolarHBondContact O-N 3.26Å; V28-Q32 HydrophobicContact CG1-CG 4.32Å; V28-Q32 WeakPolarHBondContact O-CB 3.27Å; V28-Q32 WeakPolarHBondContact O-CG 3.35Å; V28-Q32 PolarHBondContact O-N 3.34Å; V28-F86 HydrophobicContact CG1-CE2 4.46Å; V28-F86 HydrophobicContact CG1-CZ 4.09Å
29	R	89.2	Confident	88.5	Confident	127 Å²	127	72.8 Å²	72.8	48%	0.479	37%	0.371	S	S	.	.	H	α-helix	trans	-59	-43.3	178.2	-168.4	-173.3	-58.2	120.4	11.9	111.4	P25 D26 Q32 Q33	P25-R29 WeakPolarHBondContact O-CB 3.28Å; P25-R29 PolarHBondContact O-N 2.81Å; D26-R29 PolarHBondContact O-N 2.65Å; D26-R29 IonicContact OD1-CZ 3.37Å; D26-R29 IonicContact OD1-NH1 2.65Å; D26-R29 PolarHBondContact OD1-NH1 2.98Å; D26-R29 IonicContact OD1-NH2 3.41Å; D26-R29 PolarHBondContact OD1-NH2 2.67Å; R29-Q32 PolarHBondContact O-N 3.19Å; R29-Q33 WeakPolarHBondContact O-CB 3.4Å; R29-Q33 VanDerWaalsContact O-CG 3.27Å; R29-Q33 WeakPolarHBondContact O-CG 3.48Å; R29-Q33 PolarHBondContact O-N 2.85Å
30	K	90.9	Very high	89.6	Confident	137 Å²	137	64 Å²	64	60%	0.596	33%	0.333	S	S	*	.	H	α-helix	trans	-61	-45.6	175.9	-174.9	179	177.3	-177.5	0	112.1	D26 K27 V28 Q33 S34	D26-K30 WeakPolarHBondContact O-CB 3.07Å; D26-K30 PolarHBondContact O-N 3.23Å; K27-K30 PolarHBondContact O-N 3.5Å; V28-K30 VanDerWaalsContact C-N 3.32Å; V28-K30 PolarHBondContact O-N 3Å; K30-Q33 PolarHBondContact O-N 2.96Å; K30-S34 WeakPolarHBondContact O-CB 3.23Å; K30-S34 PolarHBondContact O-N 3.45Å; K30-S34 PolarHBondContact O-OG 2.92Å; K30-S34 VanDerWaalsContact O-OG 3.05Å
31	L	91.9	Very high	90	Very high	19 Å²	19	65.2 Å²	65.2	10%	0.099	34%	0.339	C	S	.	.	H	α-helix	trans	-67.2	-34.1	178.6	-71.3	168.8	0	0	0	112.9	V21 K27 V28 G35 E36 F38 F86	V21-L31 HydrophobicContact CG1-CD1 4.35Å; V21-L31 HydrophobicContact CG2-CD1 3.66Å; K27-L31 WeakPolarHBondContact O-CG 3.31Å; K27-L31 PolarHBondContact O-N 3.37Å; V28-L31 PolarHBondContact O-N 3.26Å; L31-G35 WeakPolarHBondContact O-CA 3.43Å; L31-G35 PolarHBondContact O-N 2.84Å; L31-E36 HydrophobicContact CD2-CB 4.14Å; L31-F38 HydrophobicContact CD1-CB 4.49Å; L31-F38 HydrophobicContact CD1-CD1 3.72Å; L31-F38 HydrophobicContact CD1-CE1 4.07Å; L31-F38 HydrophobicContact CD1-CG 4.09Å; L31-F38 HydrophobicContact CD2-CB 4.34Å; L31-F38 HydrophobicContact CD2-CD1 4.14Å; L31-F38 HydrophobicContact CG-CD1 4.44Å; L31-F86 HydrophobicContact CB-CD2 3.83Å; L31-F86 HydrophobicContact CB-CE2 3.9Å
32	Q	90.1	Very high	90.2	Very high	88 Å²	88	65.4 Å²	65.4	41%	0.411	34%	0.339	S	S	.	.	H	α-helix	trans	-69.2	-36.8	173.3	-73.5	174.6	-20.2	0	0	112.3	V28 R29 F86	V28-Q32 HydrophobicContact CG1-CG 4.32Å; V28-Q32 WeakPolarHBondContact O-CB 3.27Å; V28-Q32 WeakPolarHBondContact O-CG 3.35Å; V28-Q32 PolarHBondContact O-N 3.34Å; R29-Q32 PolarHBondContact O-N 3.19Å; Q32-F86 HydrophobicContact CG-CB 4.17Å; Q32-F86 HydrophobicContact CG-CD1 3.87Å; Q32-F86 HydrophobicContact CG-CD2 3.74Å; Q32-F86 HydrophobicContact CG-CE1 4.12Å; Q32-F86 HydrophobicContact CG-CE2 4.01Å; Q32-F86 HydrophobicContact CG-CG 3.65Å; Q32-F86 HydrophobicContact CG-CZ 4.19Å
33	Q	89.7	Confident	90.3	Very high	154 Å²	154	63.7 Å²	63.7	72%	0.72	33%	0.331	S	S	*	.	H	α-helix	trans	-74.9	-42.9	177.6	-73.9	172.4	-17.2	0	0	112.9	R29 K30	R29-Q33 WeakPolarHBondContact O-CB 3.4Å; R29-Q33 VanDerWaalsContact O-CG 3.27Å; R29-Q33 WeakPolarHBondContact O-CG 3.48Å; R29-Q33 PolarHBondContact O-N 2.85Å; K30-Q33 PolarHBondContact O-N 2.96Å
34	S	90.9	Very high	90.5	Very high	58 Å²	58	59.6 Å²	59.6	41%	0.406	31%	0.306	S	S	.	.	H	α-helix	trans	-79.7	-25.8	179.9	67.6	0	0	0	0	113.3	K30 E36	K30-S34 WeakPolarHBondContact O-CB 3.23Å; K30-S34 PolarHBondContact O-N 3.45Å; K30-S34 PolarHBondContact O-OG 2.92Å; K30-S34 VanDerWaalsContact O-OG 3.05Å; S34-E36 PolarHBondContact O-N 2.95Å; S34-E36 WeakPolarHBondContact OG-CB 3.37Å; S34-E36 WeakPolarHBondContact OG-CG 3.4Å; S34-E36 PolarHBondContact OG-N 3.19Å; S34-E36 PolarHBondContact OG-OE2 3.35Å
35	G	88.3	Confident	90.4	Very high	23 Å²	23	59.6 Å²	59.6	24%	0.237	31%	0.307	C	S	.	.			trans	66.4	18.2	-169.9	0	0	0	0	0	113.3	L31 Q85	L31-G35 WeakPolarHBondContact O-CA 3.43Å; L31-G35 PolarHBondContact O-N 2.84Å; G35-Q85 VanDerWaalsContact O-CG 3.29Å; G35-Q85 WeakPolarHBondContact O-CG 3.32Å; G35-Q85 PolarHBondContact O-NE2 3.47Å
36	E	91.9	Very high	90.2	Very high	113 Å²	113	59.2 Å²	59.2	53%	0.528	30%	0.3	S	S	.	.			trans	-69	140.3	-179	-76.5	176.2	147	0	0	112.4	L31 S34	L31-E36 HydrophobicContact CD2-CB 4.14Å; S34-E36 PolarHBondContact O-N 2.95Å; S34-E36 WeakPolarHBondContact OG-CB 3.37Å; S34-E36 WeakPolarHBondContact OG-CG 3.4Å; S34-E36 PolarHBondContact OG-N 3.19Å; S34-E36 PolarHBondContact OG-OE2 3.35Å
37	A	92.5	Very high	90	Very high	21 Å²	21	55.4 Å²	55.4	17%	0.174	28%	0.279	C	S	.	.			trans	-96.7	104	-176.2	0	0	0	0	0	111.7	R83 L84 Q85 E95	A37-R83 VanDerWaalsContact CB-NH2 3.28Å; A37-R83 PolarHBondContact O-NH2 3.19Å; A37-L84 CarbonylContact C-O 3.4Å; A37-L84 VanDerWaalsContact CA-O 3.26Å; A37-L84 WeakPolarHBondContact CA-O 3.48Å; A37-Q85 HydrophobicContact CB-CB 3.77Å; A37-Q85 HydrophobicContact CB-CG 3.84Å; A37-E95 HydrophobicContact CB-CB 4.01Å; A37-E95 HydrophobicContact CB-CG 3.74Å
38	F	92.6	Very high	89.6	Confident	25 Å²	25	52.8 Å²	52.8	11%	0.11	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	174.1	-175.1	65.4	-83.7	0	0	0	112.7	V21 L22 L31 R83 L84 F86 L92	V21-F38 HydrophobicContact CG1-CD2 3.52Å; V21-F38 HydrophobicContact CG1-CE2 3.56Å; V21-F38 HydrophobicContact CG1-CG 4.29Å; V21-F38 HydrophobicContact CG1-CZ 4.35Å; L22-F38 HydrophobicContact CD1-CZ 4.36Å; L22-F38 HydrophobicContact CD2-CE2 4.35Å; L22-F38 HydrophobicContact CD2-CZ 3.81Å; L22-F38 HydrophobicContact CG-CE2 4.34Å; L22-F38 HydrophobicContact CG-CZ 4.23Å; L31-F38 HydrophobicContact CD1-CB 4.49Å; L31-F38 HydrophobicContact CD1-CD1 3.72Å; L31-F38 HydrophobicContact CD1-CE1 4.07Å; L31-F38 HydrophobicContact CD1-CG 4.09Å; L31-F38 HydrophobicContact CD2-CB 4.34Å; L31-F38 HydrophobicContact CD2-CD1 4.14Å; L31-F38 HydrophobicContact CG-CD1 4.44Å; F38-R83 CarbonylContact O-C 3.52Å; F38-R83 WeakPolarHBondContact O-CA 3.36Å; F38-L84 WeakPolarHBondContact CD1-O 3.26Å; F38-L84 HydrophobicContact CE1-CB 4.16Å; F38-L84 HydrophobicContact CE2-CB 4.1Å; F38-L84 HydrophobicContact CE2-CD1 4.41Å; F38-L84 HydrophobicContact CZ-CB 3.84Å; F38-L84 PolarHBondContact N-O 3.37Å; F38-L84 PolarHBondContact O-N 3.27Å; F38-F86 HydrophobicContact CE1-CD2 4.32Å; F38-F86 HydrophobicContact CE1-CE2 4.03Å; F38-L92 HydrophobicContact CE1-CD1 3.62Å; F38-L92 HydrophobicContact CZ-CD1 3.63Å; F38-L92 HydrophobicContact CZ-CD2 4.33Å
39	V	92.5	Very high	88.8	Confident	45 Å²	45	56.1 Å²	56.1	27%	0.273	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	137.9	178.7	-173.4	0	0	0	0	110.1	D41 R83 L98	V39-D41 PolarHBondContact O-N 3.35Å; V39-R83 HydrophobicContact CG2-CG 4.41Å; V39-L98 HydrophobicContact CG1-CD1 3.96Å; V39-L98 HydrophobicContact CG1-CG 4.35Å; V39-L98 HydrophobicContact CG2-CD1 4.1Å; V39-L98 HydrophobicContact CG2-CD2 3.76Å; V39-L98 HydrophobicContact CG2-CG 3.98Å
40	Q	93.1	Very high	88.4	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	32%	0.316	C	S	.	.			trans	-57.8	125.9	172.6	176.5	169.2	-19.7	0	0	111.5	D42 I47 C76 H80 R82 L84	Q40-D42 VanDerWaalsContact CG-O 3.28Å; Q40-D42 WeakPolarHBondContact CG-O 3.36Å; Q40-D42 PolarHBondContact NE2-O 2.72Å; Q40-I47 HydrophobicContact CG-CD1 3.57Å; Q40-C76 PolarHBondContact NE2-SG 2.82Å; Q40-H80 WeakPolarHBondContact O-CA 3.26Å; Q40-H80 PolarHBondContact O-N 3.37Å; Q40-H80 PolarHBondContact O-ND1 3.47Å; Q40-R82 HydrophobicContact CB-CB 4.43Å; Q40-R82 WeakPolarHBondContact CB-O 3.34Å; Q40-R82 PolarHBondContact N-O 3.39Å; Q40-R82 VanDerWaalsContact OE1-CZ 3.25Å; Q40-L84 HydrophobicContact CB-CD1 3.97Å; Q40-L84 HydrophobicContact CB-CG 4.35Å; Q40-L84 HydrophobicContact CG-CD1 4.32Å
41	D	90.4	Very high	88.2	Confident	31 Å²	31	51.7 Å²	51.7	17%	0.166	29%	0.29	C	S	.	.			trans	-130.2	17.9	-175.2	60.6	-4.5	0	0	0	113.1	S20 V21 V39 F79	S20-D41 WeakPolarHBondContact CA-OD2 3.14Å; S20-D41 VanDerWaalsContact CB-OD1 3.31Å; S20-D41 WeakPolarHBondContact CB-OD1 3.28Å; S20-D41 PolarHBondContact OG-OD1 2.78Å; V21-D41 PolarHBondContact N-OD2 3Å; V39-D41 PolarHBondContact O-N 3.35Å; D41-F79 WeakPolarHBondContact O-CE2 3.42Å
42	D	90.1	Very high	88	Confident	31 Å²	31	54.2 Å²	54.2	17%	0.166	31%	0.308	C	S	.	.	S	Bend	trans	-146.5	177.5	170.5	-151	-34.7	0	0	0	109.9	Q40 N46 I47	Q40-D42 VanDerWaalsContact CG-O 3.28Å; Q40-D42 WeakPolarHBondContact CG-O 3.36Å; Q40-D42 PolarHBondContact NE2-O 2.72Å; D42-N46 HydrophobicContact CB-CB 4.48Å; D42-N46 WeakPolarHBondContact OD1-CB 3.48Å; D42-N46 PolarHBondContact OD1-ND2 3.42Å; D42-I47 HydrophobicContact CB-CD1 4.11Å; D42-I47 HydrophobicContact CB-CG1 3.92Å
43	S	89.8	Confident	88.1	Confident	9 Å²	9	52.9 Å²	52.9	6%	0.063	30%	0.3	C	S	.	.			trans	-68.1	162	177.7	80.4	0	0	0	0	112.9	V45 N46 I47	S43-V45 PolarHBondContact O-N 3.42Å; S43-V45 WeakPolarHBondContact OG-CG2 3.34Å; S43-V45 PolarHBondContact OG-N 3.25Å; S43-N46 PolarHBondContact O-N 2.99Å; S43-N46 WeakPolarHBondContact OG-CB 3.39Å; S43-N46 PolarHBondContact OG-N 3.35Å; S43-N46 VanDerWaalsContact OG-N 3.14Å; S43-N46 PolarHBondContact OG-ND2 2.8Å; S43-I47 WeakPolarHBondContact O-CG1 3.4Å; S43-I47 PolarHBondContact O-N 3.1Å
44	C	90.9	Very high	88.2	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-14	173.6	-62.9	0	0	0	0	114.2	K53 C57 C76 R82	C44-K53 HydrophobicContact CB-CB 4.11Å; C44-K53 HydrophobicContact CB-CG 3.99Å; C44-C57 HydrophobicContact CB-CB 3.76Å; C44-C76 PolarHBondContact N-SG 2.69Å; C44-C76 VanDerWaalsContact N-SG 3.43Å; C44-C76 PolarHBondContact SG-SG 3.3Å; C44-R82 PolarHBondContact SG-NH2 2.99Å
45	V	86.2	Confident	88.1	Confident	44 Å²	44	46.6 Å²	46.6	27%	0.267	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-33.2	177.2	-64.8	0	0	0	0	111.8	S43 K53 C57 S61	S43-V45 PolarHBondContact O-N 3.42Å; S43-V45 WeakPolarHBondContact OG-CG2 3.34Å; S43-V45 PolarHBondContact OG-N 3.25Å; V45-K53 HydrophobicContact CG1-CD 4.28Å; V45-C57 HydrophobicContact CG1-CB 4.06Å; V45-C57 WeakPolarHBondContact CG1-O 3.44Å; V45-S61 VanDerWaalsContact CG1-OG 3.32Å; V45-S61 WeakPolarHBondContact CG1-OG 3.47Å
46	N	85.3	Confident	88.1	Confident	82 Å²	82	47 Å²	47	44%	0.439	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81	-25.6	-175.7	-63.5	-20.2	0	0	0	114	D42 S43	D42-N46 HydrophobicContact CB-CB 4.48Å; D42-N46 WeakPolarHBondContact OD1-CB 3.48Å; D42-N46 PolarHBondContact OD1-ND2 3.42Å; S43-N46 PolarHBondContact O-N 2.99Å; S43-N46 WeakPolarHBondContact OG-CB 3.39Å; S43-N46 PolarHBondContact OG-N 3.35Å; S43-N46 VanDerWaalsContact OG-N 3.14Å; S43-N46 PolarHBondContact OG-ND2 2.8Å
47	I	84.8	Confident	88	Confident	21 Å²	21	41.7 Å²	41.7	11%	0.108	23%	0.232	C	C	.	.	S	Bend	trans	-74.6	-73.8	-171.7	-70.4	175	0	0	0	113	L22 Q40 D42 S43 L51 L84 L92	L22-I47 HydrophobicContact CD1-CB 4.3Å; L22-I47 HydrophobicContact CD1-CG1 4.12Å; L22-I47 HydrophobicContact CD1-CG2 3.6Å; Q40-I47 HydrophobicContact CG-CD1 3.57Å; D42-I47 HydrophobicContact CB-CD1 4.11Å; D42-I47 HydrophobicContact CB-CG1 3.92Å; S43-I47 WeakPolarHBondContact O-CG1 3.4Å; S43-I47 PolarHBondContact O-N 3.1Å; I47-L51 HydrophobicContact CB-CD2 4.16Å; I47-L51 HydrophobicContact CG2-CD2 3.76Å; I47-L84 HydrophobicContact CD1-CD1 4.06Å; I47-L84 HydrophobicContact CG2-CD1 4.29Å; I47-L92 HydrophobicContact CG2-CD2 3.55Å
48	V	81.1	Confident	87.8	Confident	57 Å²	57	44.1 Å²	44.1	35%	0.345	24%	0.237	S	C	.	.			trans	-151	141	171.2	-62.9	0	0	0	0	109.8	Q50 L51	V48-Q50 PolarHBondContact O-N 3.25Å; V48-Q50 VanDerWaalsContact O-N 3.07Å; V48-L51 HydrophobicContact CG2-CB 3.78Å; V48-L51 WeakPolarHBondContact O-CB 3.37Å; V48-L51 PolarHBondContact O-N 3.39Å
49	A	73	Confident	87.2	Confident	94 Å²	94	46.8 Å²	46.8	78%	0.777	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-24.8	-175.4	0	0	0	0	0	114.6
50	Q	80.3	Confident	86.4	Confident	162 Å²	162	47 Å²	47	76%	0.757	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-5.9	-179.6	-59.1	-178.7	9.7	0	0	113.9	V48	V48-Q50 PolarHBondContact O-N 3.25Å; V48-Q50 VanDerWaalsContact O-N 3.07Å
51	L	86.4	Confident	85.2	Confident	9 Å²	9	49.5 Å²	49.5	5%	0.047	27%	0.269	C	S	.	.	S	Bend	trans	-76.7	138.4	-177.2	-166.1	65.5	0	0	0	110.7	I47 V48 K53 L84 V94	I47-L51 HydrophobicContact CB-CD2 4.16Å; I47-L51 HydrophobicContact CG2-CD2 3.76Å; V48-L51 HydrophobicContact CG2-CB 3.78Å; V48-L51 WeakPolarHBondContact O-CB 3.37Å; V48-L51 PolarHBondContact O-N 3.39Å; L51-K53 PolarHBondContact O-N 3.29Å; L51-L84 HydrophobicContact CD1-CD2 3.87Å; L51-L84 HydrophobicContact CD2-CD1 4.14Å; L51-L84 HydrophobicContact CD2-CD2 4.23Å; L51-V94 HydrophobicContact CD1-CG2 3.86Å
52	P	88.5	Confident	84.1	Confident	72 Å²	72	54.6 Å²	54.6	47%	0.468	30%	0.296	S	S	.	.	P	Polyproline II helix	trans	-57.2	116	175.6	-26.6	35.9	0	0	0	111.6	R82	P52-R82 PolarHBondContact O-NH1 3.43Å; P52-R82 PolarHBondContact O-NH2 3.32Å
53	K	91.6	Very high	83.1	Confident	59 Å²	59	60.5 Å²	60.5	26%	0.257	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-80.2	138	-178.4	-65.5	-177.9	175.4	-176.7	0	111.4	C44 V45 L51 C57 R58 S61	C44-K53 HydrophobicContact CB-CB 4.11Å; C44-K53 HydrophobicContact CB-CG 3.99Å; V45-K53 HydrophobicContact CG1-CD 4.28Å; L51-K53 PolarHBondContact O-N 3.29Å; K53-C57 HydrophobicContact CB-CB 4.32Å; K53-R58 HydrophobicContact CB-CG 3.61Å; K53-S61 PolarHBondContact NZ-OG 2.81Å
54	C	92.8	Very high	81.3	Confident	0 Å²	0	69.4 Å²	69.4	0%	0	35%	0.353	C	S	.	.			trans	-66.8	-178.5	173.7	80.2	0	0	0	0	112.4	R58 R77 F78 C187	C54-R58 VanDerWaalsContact O-CG 3.27Å; C54-R58 WeakPolarHBondContact O-CG 3.39Å; C54-R58 PolarHBondContact O-N 3.4Å; C54-R58 PolarHBondContact O-NE 3.06Å; C54-R77 HydrophobicContact CB-CB 4.11Å; C54-F78 HydrophobicContact CB-CD2 3.67Å; C54-F78 HydrophobicContact CB-CE2 3.83Å; C54-F78 HydrophobicContact CB-CG 4.32Å; C54-C187 CarbonylContact C-O 3.59Å; C54-C187 WeakPolarHBondContact CA-O 3.49Å; C54-C187 WeakPolarHBondContact CB-O 3.43Å
55	R	88.8	Confident	79.5	Confident	81 Å²	81	76.6 Å²	76.6	31%	0.306	39%	0.392	S	S	.	.	H	α-helix	trans	-54.1	-61.8	176	-178.4	-176.7	-178.6	-88.5	11.6	111.8	R58 L59 C187	R55-R58 WeakPolarHBondContact O-CB 3.4Å; R55-R58 PolarHBondContact O-N 3.27Å; R55-R58 VanDerWaalsContact O-N 3.12Å; R55-L59 HydrophobicContact CG-CD1 4.46Å; R55-L59 PolarHBondContact O-N 3.43Å; R55-C187 PolarHBondContact N-O 3.35Å
56	E	88.4	Confident	78	Confident	30 Å²	30	82.9 Å²	82.9	14%	0.14	42%	0.415	C	S	.	.	H	α-helix	trans	-63.2	-52.7	-171.7	-40.7	-37.7	146	0	0	110.5	R58 L59 D60 R77	E56-R58 CarbonylContact O-C 3.56Å; E56-R58 PolarHBondContact O-N 3.45Å; E56-L59 CarbonylContact O-C 3.51Å; E56-L59 WeakPolarHBondContact O-CA 3.42Å; E56-L59 WeakPolarHBondContact O-CB 3.34Å; E56-L59 PolarHBondContact O-N 2.72Å; E56-D60 PolarHBondContact O-N 2.71Å; E56-R77 HydrophobicContact CG-CG 4.32Å; E56-R77 IonicContact OE1-CZ 3.28Å; E56-R77 VanDerWaalsContact OE1-CZ 3.28Å; E56-R77 IonicContact OE1-NE 3.87Å; E56-R77 PolarHBondContact OE1-NE 2.73Å; E56-R77 IonicContact OE1-NH2 3.23Å; E56-R77 PolarHBondContact OE1-NH2 2.7Å
57	C	89.3	Confident	76.1	Confident	3 Å²	3	86.4 Å²	86.4	2%	0.02	43%	0.434	C	S	.	.	H	α-helix	trans	-55.8	-16.9	177	-62.1	0	0	0	0	115.5	C44 V45 K53 D60 S61	C44-C57 HydrophobicContact CB-CB 3.76Å; V45-C57 HydrophobicContact CG1-CB 4.06Å; V45-C57 WeakPolarHBondContact CG1-O 3.44Å; K53-C57 HydrophobicContact CB-CB 4.32Å; C57-D60 VanDerWaalsContact CA-OD2 3.29Å; C57-D60 WeakPolarHBondContact CA-OD2 3.39Å; C57-D60 PolarHBondContact N-OD2 3.14Å; C57-S61 WeakPolarHBondContact O-CB 3.22Å; C57-S61 PolarHBondContact O-N 2.9Å; C57-S61 PolarHBondContact O-OG 2.82Å
58	R	87	Confident	74.2	Confident	72 Å²	72	94.6 Å²	94.6	27%	0.272	47%	0.472	S	S	.	.	H	α-helix	trans	-83.4	-36.4	169.5	-75.8	-179	-60.4	135.8	-2	112.6	K53 C54 R55 E56 L62	K53-R58 HydrophobicContact CB-CG 3.61Å; C54-R58 VanDerWaalsContact O-CG 3.27Å; C54-R58 WeakPolarHBondContact O-CG 3.39Å; C54-R58 PolarHBondContact O-N 3.4Å; C54-R58 PolarHBondContact O-NE 3.06Å; R55-R58 WeakPolarHBondContact O-CB 3.4Å; R55-R58 PolarHBondContact O-N 3.27Å; R55-R58 VanDerWaalsContact O-N 3.12Å; E56-R58 CarbonylContact O-C 3.56Å; E56-R58 PolarHBondContact O-N 3.45Å; R58-L62 WeakPolarHBondContact O-CG 3.24Å
59	L	81	Confident	72.6	Confident	80 Å²	80	98 Å²	98	42%	0.419	48%	0.484	S	S	.	.	H	α-helix	trans	-68.7	-44.1	173.7	-60.2	174.2	0	0	0	110.4	R55 E56 S61 L62 R63	R55-L59 HydrophobicContact CG-CD1 4.46Å; R55-L59 PolarHBondContact O-N 3.43Å; E56-L59 CarbonylContact O-C 3.51Å; E56-L59 WeakPolarHBondContact O-CA 3.42Å; E56-L59 WeakPolarHBondContact O-CB 3.34Å; E56-L59 PolarHBondContact O-N 2.72Å; L59-S61 VanDerWaalsContact C-N 3.28Å; L59-S61 PolarHBondContact O-N 2.78Å; L59-L62 WeakPolarHBondContact O-CB 3.43Å; L59-L62 PolarHBondContact O-N 2.89Å; L59-R63 PolarHBondContact O-N 2.89Å
60	D	74.8	Confident	71.4	Confident	50 Å²	50	103.1 Å²	103.1	27%	0.267	49%	0.489	S	S	.	.	H	α-helix	trans	-60.9	-39.9	177.3	-47.9	-36	0	0	0	110.8	E56 C57 L62 R63	E56-D60 PolarHBondContact O-N 2.71Å; C57-D60 VanDerWaalsContact CA-OD2 3.29Å; C57-D60 WeakPolarHBondContact CA-OD2 3.39Å; C57-D60 PolarHBondContact N-OD2 3.14Å; D60-L62 PolarHBondContact O-N 3.47Å; D60-R63 PolarHBondContact O-N 3.39Å; D60-R63 VanDerWaalsContact O-N 3.12Å
61	S	69.4	Low	70.3	Confident	53 Å²	53	100.2 Å²	100.2	37%	0.371	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-6.9	174.2	-63.2	0	0	0	0	115	V45 K53 C57 L59	V45-S61 VanDerWaalsContact CG1-OG 3.32Å; V45-S61 WeakPolarHBondContact CG1-OG 3.47Å; K53-S61 PolarHBondContact NZ-OG 2.81Å; C57-S61 WeakPolarHBondContact O-CB 3.22Å; C57-S61 PolarHBondContact O-N 2.9Å; C57-S61 PolarHBondContact O-OG 2.82Å; L59-S61 VanDerWaalsContact C-N 3.28Å; L59-S61 PolarHBondContact O-N 2.78Å
62	L	66.8	Low	69.8	Low	138 Å²	138	102.2 Å²	102.2	72%	0.723	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-12	177.6	-64.5	168.4	0	0	0	112.7	R58 L59 D60	R58-L62 WeakPolarHBondContact O-CG 3.24Å; L59-L62 WeakPolarHBondContact O-CB 3.43Å; L59-L62 PolarHBondContact O-N 2.89Å; D60-L62 PolarHBondContact O-N 3.47Å
63	R	69.8	Low	69.2	Low	155 Å²	155	100.5 Å²	100.5	59%	0.585	48%	0.482	S	S	*	.			trans	-73.5	139.1	172.8	-65.1	178.5	177.3	-176.3	-2	109	L59 D60	L59-R63 PolarHBondContact O-N 2.89Å; D60-R63 PolarHBondContact O-N 3.39Å; D60-R63 VanDerWaalsContact O-N 3.12Å
64	K	50.9	Low	68.6	Low	195 Å²	195	99.8 Å²	99.8	85%	0.848	48%	0.483	S	S	*	.			trans	-95.2	-35.3	-175.8	-73.3	-174.7	177.2	179.4	0	113.2
65	D	54.4	Low	68.2	Low	152 Å²	152	106.4 Å²	106.4	81%	0.813	51%	0.512	S	S	*	.			trans	-72.7	130	174	-62.5	-70.1	0	0	0	110.9
66	K	52.9	Low	68.3	Low	176 Å²	176	102.8 Å²	102.8	77%	0.765	50%	0.499	S	S	*	.			trans	-111.2	-13	-178.4	-71	-172	172.3	-172.9	0	114.1
67	D	46.8	Very low	68.5	Low	155 Å²	155	103.5 Å²	103.5	83%	0.829	50%	0.5	S	S	*	.	S	Bend	trans	-97.8	1.4	-153.5	-61.2	-27.3	0	0	0	114.9
68	Q	43.2	Very low	68.7	Low	193 Å²	193	103.4 Å²	103.4	90%	0.902	50%	0.499	S	S	*	.	S	Bend	trans	-128.8	-9.9	-174.6	-69.2	-176	-6.5	0	0	116.2
69	Q	47.6	Very low	69	Low	129 Å²	129	101.1 Å²	101.1	60%	0.603	49%	0.491	S	S	*	.			trans	-106.4	113.4	175.2	-156.6	114	73.1	0	0	109.7	D71	Q69-D71 PolarHBondContact O-N 2.84Å
70	K	48.5	Very low	69.5	Low	202 Å²	202	99.9 Å²	99.9	88%	0.878	48%	0.483	S	S	*	.			trans	-69.8	100.2	167.3	-75.8	176.7	179.3	168.8	0	108	S72	K70-S72 VanDerWaalsContact C-N 3.3Å; K70-S72 PolarHBondContact O-N 2.89Å
71	D	57.7	Low	70.5	Confident	100 Å²	100	97.5 Å²	97.5	54%	0.535	47%	0.471	S	S	.	.			trans	-59.5	84.2	-178.3	-84.6	-18.2	0	0	0	112.5	Q69	Q69-D71 PolarHBondContact O-N 2.84Å
72	S	74.9	Confident	71.7	Confident	52 Å²	52	95.1 Å²	95.1	36%	0.364	45%	0.453	S	S	.	.			trans	-73.9	122.2	175.2	-171	0	0	0	0	109.1	K70 V74 F75	K70-S72 VanDerWaalsContact C-N 3.3Å; K70-S72 PolarHBondContact O-N 2.89Å; S72-V74 PolarHBondContact O-N 3.18Å; S72-V74 WeakPolarHBondContact OG-CG2 3.31Å; S72-F75 WeakPolarHBondContact O-CD2 3.49Å; S72-F75 PolarHBondContact O-N 3.22Å
73	P	75.9	Confident	73	Confident	36 Å²	36	90.2 Å²	90.2	23%	0.234	43%	0.425	C	S	.	.	G	3₁₀ helix	trans	-64.9	-14.2	-173.4	27.1	-35.9	0	0	0	113.1	F75 C76 F79	P73-F75 PolarHBondContact O-N 2.65Å; P73-C76 WeakPolarHBondContact O-CB 3.33Å; P73-C76 PolarHBondContact O-N 2.89Å; P73-F79 HydrophobicContact CB-CD2 3.82Å; P73-F79 HydrophobicContact CB-CE2 3.85Å; P73-F79 HydrophobicContact CG-CD2 4.32Å; P73-F79 HydrophobicContact CG-CE2 3.84Å; P73-F79 HydrophobicContact CG-CZ 4.42Å; P73-F79 WeakPolarHBondContact O-CB 3.33Å
74	V	79.3	Confident	74.2	Confident	43 Å²	43	82.9 Å²	82.9	26%	0.261	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-60.8	-27.2	178.9	-51.2	0	0	0	0	113.9	S72 C76 F79 V163 V166	S72-V74 PolarHBondContact O-N 3.18Å; S72-V74 WeakPolarHBondContact OG-CG2 3.31Å; V74-C76 PolarHBondContact O-N 2.79Å; V74-F79 HydrophobicContact CG1-CE1 4.12Å; V74-F79 HydrophobicContact CG1-CZ 4.49Å; V74-V163 HydrophobicContact CB-CG1 4.45Å; V74-V163 HydrophobicContact CG1-CG1 4.13Å; V74-V166 HydrophobicContact CB-CG2 3.81Å; V74-V166 HydrophobicContact CG1-CG2 4.47Å; V74-V166 HydrophobicContact CG2-CG2 4.13Å
75	F	84.8	Confident	76.3	Confident	140 Å²	140	77.1 Å²	77.1	61%	0.614	37%	0.374	S	S	*	.	G	3₁₀ helix	trans	-72.3	-14.3	175.8	-62.9	-64.6	0	0	0	112.8	S72 P73 R77	S72-F75 WeakPolarHBondContact O-CD2 3.49Å; S72-F75 PolarHBondContact O-N 3.22Å; P73-F75 PolarHBondContact O-N 2.65Å; F75-R77 PolarHBondContact O-N 2.75Å
76	C	91.1	Very high	78.2	Confident	5 Å²	5	70.7 Å²	70.7	3%	0.034	34%	0.339	C	S	.	.	S	Bend	trans	-74	113.8	175.7	-176.2	0	0	0	0	110.7	Q40 C44 P73 V74 F78 F79	Q40-C76 PolarHBondContact NE2-SG 2.82Å; C44-C76 PolarHBondContact N-SG 2.69Å; C44-C76 VanDerWaalsContact N-SG 3.43Å; C44-C76 PolarHBondContact SG-SG 3.3Å; P73-C76 WeakPolarHBondContact O-CB 3.33Å; P73-C76 PolarHBondContact O-N 2.89Å; V74-C76 PolarHBondContact O-N 2.79Å; C76-F78 PolarHBondContact O-N 3.32Å; C76-F79 HydrophobicContact CB-CB 4.19Å; C76-F79 VanDerWaalsContact O-CB 3.22Å; C76-F79 WeakPolarHBondContact O-CB 3.33Å; C76-F79 PolarHBondContact O-N 3.41Å
77	R	92.4	Very high	79.9	Confident	45 Å²	45	64.8 Å²	64.8	17%	0.17	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-7.3	179.8	-51.9	-64.9	-168.9	117.5	13	115.7	C54 E56 F75 D171	C54-R77 HydrophobicContact CB-CB 4.11Å; E56-R77 HydrophobicContact CG-CG 4.32Å; E56-R77 IonicContact OE1-CZ 3.28Å; E56-R77 VanDerWaalsContact OE1-CZ 3.28Å; E56-R77 IonicContact OE1-NE 3.87Å; E56-R77 PolarHBondContact OE1-NE 2.73Å; E56-R77 IonicContact OE1-NH2 3.23Å; E56-R77 PolarHBondContact OE1-NH2 2.7Å; F75-R77 PolarHBondContact O-N 2.75Å; R77-D171 IonicContact CZ-OD1 3.98Å; R77-D171 IonicContact CZ-OD2 2.75Å; R77-D171 IonicContact NH1-OD1 2.67Å; R77-D171 PolarHBondContact NH1-OD1 2.79Å; R77-D171 IonicContact NH1-OD2 3.38Å; R77-D171 PolarHBondContact NH1-OD2 2.88Å; R77-D171 IonicContact NH2-OD1 3.82Å; R77-D171 PolarHBondContact NH2-OD1 3.05Å; R77-D171 IonicContact NH2-OD2 2.7Å
78	F	94.4	Very high	81.8	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-5.1	175.6	-67.2	-40.6	0	0	0	114.7	C54 C76 H80 F81 R82 F97 P185	C54-F78 HydrophobicContact CB-CD2 3.67Å; C54-F78 HydrophobicContact CB-CE2 3.83Å; C54-F78 HydrophobicContact CB-CG 4.32Å; C76-F78 PolarHBondContact O-N 3.32Å; F78-H80 PolarHBondContact O-N 3.49Å; F78-F81 HydrophobicContact CD1-CD1 4.19Å; F78-F81 PolarHBondContact O-N 2.98Å; F78-R82 HydrophobicContact CB-CB 3.88Å; F78-R82 HydrophobicContact CD1-CB 4.33Å; F78-R82 VanDerWaalsContact CD2-CZ 3.4Å; F78-R82 HydrophobicContact CG-CB 4.23Å; F78-R82 PolarHBondContact O-N 3.05Å; F78-R82 VanDerWaalsContact O-N 3.11Å; F78-F97 AromaticContact CD1-CE1 3.93Å; F78-F97 HydrophobicContact CD1-CE1 3.93Å; F78-F97 AromaticContact CE1-CE1 3.84Å; F78-F97 HydrophobicContact CE1-CE1 3.84Å; F78-F97 HydrophobicContact CE1-CZ 4.15Å; F78-P185 WeakPolarHBondContact CZ-O 3.32Å
79	F	92.7	Very high	83.9	Confident	24 Å²	24	66 Å²	66	11%	0.105	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	132.9	172.4	-180	-100.8	0	0	0	110.4	D41 P73 V74 C76 F81 V163	D41-F79 WeakPolarHBondContact O-CE2 3.42Å; P73-F79 HydrophobicContact CB-CD2 3.82Å; P73-F79 HydrophobicContact CB-CE2 3.85Å; P73-F79 HydrophobicContact CG-CD2 4.32Å; P73-F79 HydrophobicContact CG-CE2 3.84Å; P73-F79 HydrophobicContact CG-CZ 4.42Å; P73-F79 WeakPolarHBondContact O-CB 3.33Å; V74-F79 HydrophobicContact CG1-CE1 4.12Å; V74-F79 HydrophobicContact CG1-CZ 4.49Å; C76-F79 HydrophobicContact CB-CB 4.19Å; C76-F79 VanDerWaalsContact O-CB 3.22Å; C76-F79 WeakPolarHBondContact O-CB 3.33Å; C76-F79 PolarHBondContact O-N 3.41Å; F79-F81 PolarHBondContact O-N 2.91Å; F79-V163 HydrophobicContact CD1-CG1 4.32Å; F79-V163 HydrophobicContact CD1-CG2 4.02Å; F79-V163 HydrophobicContact CE1-CG1 3.87Å; F79-V163 HydrophobicContact CE1-CG2 4.15Å
80	H	91.6	Very high	85.6	Confident	54 Å²	54	61.3 Å²	61.3	25%	0.25	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	27.4	-175	-71.1	-14	0	0	0	115.8	Q40 F78 L98 R161 V163	Q40-H80 WeakPolarHBondContact O-CA 3.26Å; Q40-H80 PolarHBondContact O-N 3.37Å; Q40-H80 PolarHBondContact O-ND1 3.47Å; F78-H80 PolarHBondContact O-N 3.49Å; H80-L98 WeakPolarHBondContact O-CD1 3.28Å; H80-R161 HydrophobicContact CB-CB 4.28Å; H80-R161 HydrophobicContact CB-CG 4.43Å; H80-V163 HydrophobicContact CB-CG2 4.42Å
81	F	94.5	Very high	87.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.2	-49.2	-177.8	179.6	-143	0	0	0	113.4	F78 F79 F97 L98 A158 W159 K160 V183 M229 T231	F78-F81 HydrophobicContact CD1-CD1 4.19Å; F78-F81 PolarHBondContact O-N 2.98Å; F79-F81 PolarHBondContact O-N 2.91Å; F81-F97 AromaticContact CD1-CD1 3.91Å; F81-F97 HydrophobicContact CD1-CD1 3.91Å; F81-F97 HydrophobicContact CD1-CE1 4.11Å; F81-F97 HydrophobicContact CD2-CD1 4.07Å; F81-F97 AromaticContact CE1-CD1 3.72Å; F81-F97 HydrophobicContact CE1-CD1 3.72Å; F81-F97 AromaticContact CE1-CE1 3.88Å; F81-F97 HydrophobicContact CE1-CE1 3.88Å; F81-F97 HydrophobicContact CE2-CB 4.19Å; F81-F97 AromaticContact CE2-CD1 3.91Å; F81-F97 HydrophobicContact CE2-CD1 3.91Å; F81-F97 HydrophobicContact CE2-CG 4.37Å; F81-F97 HydrophobicContact CG-CD1 4.08Å; F81-F97 AromaticContact CZ-CD1 3.74Å; F81-F97 HydrophobicContact CZ-CD1 3.74Å; F81-F97 HydrophobicContact CZ-CE1 4.29Å; F81-F97 HydrophobicContact CZ-CG 4.34Å; F81-L98 PolarHBondContact O-N 3.49Å; F81-A158 HydrophobicContact CE2-CB 3.98Å; F81-A158 HydrophobicContact CZ-CB 4.38Å; F81-W159 WeakPolarHBondContact CD2-O 3.39Å; F81-K160 HydrophobicContact CB-CG 4.1Å; F81-K160 HydrophobicContact CD1-CD 4.23Å; F81-K160 HydrophobicContact CD1-CG 4.37Å; F81-K160 HydrophobicContact CD2-CB 3.79Å; F81-K160 HydrophobicContact CD2-CG 3.99Å; F81-K160 HydrophobicContact CE2-CB 3.97Å; F81-K160 HydrophobicContact CG-CB 4.23Å; F81-K160 HydrophobicContact CG-CD 4.27Å; F81-K160 HydrophobicContact CG-CG 3.9Å; F81-V183 HydrophobicContact CE1-CB 4.4Å; F81-V183 HydrophobicContact CE1-CG1 3.97Å; F81-V183 HydrophobicContact CZ-CB 4.49Å; F81-M229 HydrophobicContact CE1-CE 4.37Å; F81-M229 HydrophobicContact CE2-CE 4.25Å; F81-M229 HydrophobicContact CZ-CE 3.56Å; F81-T231 HydrophobicContact CE2-CG2 3.68Å; F81-T231 HydrophobicContact CZ-CG2 3.7Å
82	R	95.6	Very high	89.1	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.011	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	144.1	-179.2	-173.8	166.6	61.6	175.6	-2.3	111.3	Q40 C44 P52 F78 L84 V94 F97	Q40-R82 HydrophobicContact CB-CB 4.43Å; Q40-R82 WeakPolarHBondContact CB-O 3.34Å; Q40-R82 PolarHBondContact N-O 3.39Å; Q40-R82 VanDerWaalsContact OE1-CZ 3.25Å; C44-R82 PolarHBondContact SG-NH2 2.99Å; P52-R82 PolarHBondContact O-NH1 3.43Å; P52-R82 PolarHBondContact O-NH2 3.32Å; F78-R82 HydrophobicContact CB-CB 3.88Å; F78-R82 HydrophobicContact CD1-CB 4.33Å; F78-R82 VanDerWaalsContact CD2-CZ 3.4Å; F78-R82 HydrophobicContact CG-CB 4.23Å; F78-R82 PolarHBondContact O-N 3.05Å; F78-R82 VanDerWaalsContact O-N 3.11Å; R82-L84 HydrophobicContact CG-CD2 4.23Å; R82-V94 HydrophobicContact CG-CG1 3.87Å; R82-F97 HydrophobicContact CB-CD1 4.15Å; R82-F97 HydrophobicContact CB-CE1 3.96Å; R82-F97 HydrophobicContact CG-CD1 4.43Å; R82-F97 HydrophobicContact CG-CE1 4.06Å; R82-F97 HydrophobicContact CG-CZ 4.49Å
83	R	94.9	Very high	89.8	Confident	36 Å²	36	54.3 Å²	54.3	14%	0.136	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.8	175.6	-68.1	179.9	66.4	-129.3	-10.8	111.5	A37 F38 V39 E95 G96 F97 L98	A37-R83 VanDerWaalsContact CB-NH2 3.28Å; A37-R83 PolarHBondContact O-NH2 3.19Å; F38-R83 CarbonylContact O-C 3.52Å; F38-R83 WeakPolarHBondContact O-CA 3.36Å; V39-R83 HydrophobicContact CG2-CG 4.41Å; R83-E95 WeakPolarHBondContact CB-OE2 3.44Å; R83-E95 VanDerWaalsContact CZ-CD 3.47Å; R83-E95 IonicContact CZ-OE1 2.68Å; R83-E95 IonicContact CZ-OE2 2.79Å; R83-E95 IonicContact NE-OE2 3.88Å; R83-E95 IonicContact NH1-OE1 3.87Å; R83-E95 PolarHBondContact NH1-OE1 2.96Å; R83-E95 IonicContact NH1-OE2 2.65Å; R83-E95 PolarHBondContact NH1-OE2 3.2Å; R83-E95 IonicContact NH2-OE1 3.69Å; R83-E95 PolarHBondContact NH2-OE1 2.97Å; R83-E95 IonicContact NH2-OE2 2.66Å; R83-E95 PolarHBondContact O-N 3.41Å; R83-G96 PolarHBondContact N-O 3.26Å; R83-G96 PolarHBondContact O-N 3.46Å; R83-F97 VanDerWaalsContact CD-O 3.3Å; R83-F97 WeakPolarHBondContact CD-O 3.21Å; R83-L98 HydrophobicContact CG-CG 4.45Å
84	L	94.8	Very high	90.7	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	145.3	-173.5	-56.7	178.4	0	0	0	109.5	A37 F38 Q40 I47 L51 R82 L92 R93 V94	A37-L84 CarbonylContact C-O 3.4Å; A37-L84 VanDerWaalsContact CA-O 3.26Å; A37-L84 WeakPolarHBondContact CA-O 3.48Å; F38-L84 WeakPolarHBondContact CD1-O 3.26Å; F38-L84 HydrophobicContact CE1-CB 4.16Å; F38-L84 HydrophobicContact CE2-CB 4.1Å; F38-L84 HydrophobicContact CE2-CD1 4.41Å; F38-L84 HydrophobicContact CZ-CB 3.84Å; F38-L84 PolarHBondContact N-O 3.37Å; F38-L84 PolarHBondContact O-N 3.27Å; Q40-L84 HydrophobicContact CB-CD1 3.97Å; Q40-L84 HydrophobicContact CB-CG 4.35Å; Q40-L84 HydrophobicContact CG-CD1 4.32Å; I47-L84 HydrophobicContact CD1-CD1 4.06Å; I47-L84 HydrophobicContact CG2-CD1 4.29Å; L51-L84 HydrophobicContact CD1-CD2 3.87Å; L51-L84 HydrophobicContact CD2-CD1 4.14Å; L51-L84 HydrophobicContact CD2-CD2 4.23Å; R82-L84 HydrophobicContact CG-CD2 4.23Å; L84-L92 HydrophobicContact CB-CD1 4.04Å; L84-L92 HydrophobicContact CB-CD2 4.32Å; L84-L92 HydrophobicContact CB-CG 4.2Å; L84-L92 HydrophobicContact CD1-CD2 3.99Å; L84-R93 CarbonylContact C-O 3.58Å; L84-R93 VanDerWaalsContact CA-O 3.29Å; L84-R93 WeakPolarHBondContact CA-O 3.39Å; L84-V94 HydrophobicContact CD2-CG2 4Å
85	Q	94.9	Very high	91.4	Very high	74 Å²	74	57.1 Å²	57.1	35%	0.346	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	141.4	-175.1	-168.1	-177.7	25.5	0	0	110.1	G35 A37 R93 E95	G35-Q85 VanDerWaalsContact O-CG 3.29Å; G35-Q85 WeakPolarHBondContact O-CG 3.32Å; G35-Q85 PolarHBondContact O-NE2 3.47Å; A37-Q85 HydrophobicContact CB-CB 3.77Å; A37-Q85 HydrophobicContact CB-CG 3.84Å; Q85-R93 PolarHBondContact N-O 3.34Å; Q85-R93 PolarHBondContact O-N 2.94Å; Q85-E95 HydrophobicContact CB-CB 3.86Å
86	F	92.9	Very high	91.8	Very high	17 Å²	17	51.4 Å²	51.4	8%	0.075	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	132	169	-69.8	-73.9	0	0	0	110.2	L22 V28 L31 Q32 F38 G90 L92	L22-F86 HydrophobicContact CD2-CE2 4.19Å; L22-F86 HydrophobicContact CD2-CZ 3.75Å; V28-F86 HydrophobicContact CG1-CE2 4.46Å; V28-F86 HydrophobicContact CG1-CZ 4.09Å; L31-F86 HydrophobicContact CB-CD2 3.83Å; L31-F86 HydrophobicContact CB-CE2 3.9Å; Q32-F86 HydrophobicContact CG-CB 4.17Å; Q32-F86 HydrophobicContact CG-CD1 3.87Å; Q32-F86 HydrophobicContact CG-CD2 3.74Å; Q32-F86 HydrophobicContact CG-CE1 4.12Å; Q32-F86 HydrophobicContact CG-CE2 4.01Å; Q32-F86 HydrophobicContact CG-CG 3.65Å; Q32-F86 HydrophobicContact CG-CZ 4.19Å; F38-F86 HydrophobicContact CE1-CD2 4.32Å; F38-F86 HydrophobicContact CE1-CE2 4.03Å; F86-G90 VanDerWaalsContact CD1-O 3.28Å; F86-G90 WeakPolarHBondContact CD1-O 3.06Å; F86-L92 HydrophobicContact CD1-CB 4.25Å; F86-L92 HydrophobicContact CD1-CD1 3.92Å; F86-L92 HydrophobicContact CD2-CD1 4.21Å; F86-L92 HydrophobicContact CE1-CB 4.13Å; F86-L92 HydrophobicContact CE1-CD1 3.84Å; F86-L92 HydrophobicContact CE2-CD1 4.12Å; F86-L92 HydrophobicContact CG-CD1 4.12Å; F86-L92 HydrophobicContact CZ-CD1 3.94Å
87	N	89.5	Confident	92	Very high	53 Å²	53	52.4 Å²	52.4	28%	0.283	25%	0.254	S	S	.	.			trans	-78.4	175	168.8	78.3	-1.9	0	0	0	111.2	H89 G90 V91	N87-H89 PolarHBondContact O-N 2.8Å; N87-H89 WeakPolarHBondContact OD1-CA 3.33Å; N87-H89 WeakPolarHBondContact OD1-CB 3.27Å; N87-H89 PolarHBondContact OD1-N 3.29Å; N87-G90 PolarHBondContact O-N 2.82Å; N87-G90 PolarHBondContact OD1-N 2.88Å; N87-V91 PolarHBondContact N-O 2.84Å; N87-V91 WeakPolarHBondContact OD1-CB 3.43Å; N87-V91 PolarHBondContact OD1-N 2.89Å; N87-V91 PolarHBondContact OD1-O 2.95Å
88	K	86.9	Confident	92.1	Very high	210 Å²	210	50.9 Å²	50.9	91%	0.913	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-6.8	178	-60.6	-172.7	179.6	-175.3	0	115.4
89	H	86.8	Confident	92	Very high	162 Å²	162	51.9 Å²	51.9	75%	0.75	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.3	14.1	178.2	-50.7	-78.1	0	0	0	112.3	N87 V91	N87-H89 PolarHBondContact O-N 2.8Å; N87-H89 WeakPolarHBondContact OD1-CA 3.33Å; N87-H89 WeakPolarHBondContact OD1-CB 3.27Å; N87-H89 PolarHBondContact OD1-N 3.29Å; H89-V91 HydrophobicContact CB-CG2 4.48Å; H89-V91 PolarHBondContact O-N 3Å
90	G	83.8	Confident	91.9	Very high	32 Å²	32	51.5 Å²	51.5	33%	0.33	26%	0.255	S	S	.	.	S	Bend	trans	71.6	8.4	-178.8	0	0	0	0	0	114.8	F86 N87	F86-G90 VanDerWaalsContact CD1-O 3.28Å; F86-G90 WeakPolarHBondContact CD1-O 3.06Å; N87-G90 PolarHBondContact O-N 2.82Å; N87-G90 PolarHBondContact OD1-N 2.88Å
91	V	88	Confident	91.8	Very high	52 Å²	52	55.5 Å²	55.5	32%	0.315	28%	0.278	S	S	.	.			trans	-89.4	126.2	179.6	-177.9	0	0	0	0	109.9	N87 H89	N87-V91 PolarHBondContact N-O 2.84Å; N87-V91 WeakPolarHBondContact OD1-CB 3.43Å; N87-V91 PolarHBondContact OD1-N 2.89Å; N87-V91 PolarHBondContact OD1-O 2.95Å; H89-V91 HydrophobicContact CB-CG2 4.48Å; H89-V91 PolarHBondContact O-N 3Å
92	L	90.5	Very high	91.5	Very high	14 Å²	14	61.4 Å²	61.4	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	131.8	179.6	-162.9	70.4	0	0	0	111.5	L22 F38 I47 L84 F86	L22-L92 HydrophobicContact CD1-CD2 4.08Å; F38-L92 HydrophobicContact CE1-CD1 3.62Å; F38-L92 HydrophobicContact CZ-CD1 3.63Å; F38-L92 HydrophobicContact CZ-CD2 4.33Å; I47-L92 HydrophobicContact CG2-CD2 3.55Å; L84-L92 HydrophobicContact CB-CD1 4.04Å; L84-L92 HydrophobicContact CB-CD2 4.32Å; L84-L92 HydrophobicContact CB-CG 4.2Å; L84-L92 HydrophobicContact CD1-CD2 3.99Å; F86-L92 HydrophobicContact CD1-CB 4.25Å; F86-L92 HydrophobicContact CD1-CD1 3.92Å; F86-L92 HydrophobicContact CD2-CD1 4.21Å; F86-L92 HydrophobicContact CE1-CB 4.13Å; F86-L92 HydrophobicContact CE1-CD1 3.84Å; F86-L92 HydrophobicContact CE2-CD1 4.12Å; F86-L92 HydrophobicContact CG-CD1 4.12Å; F86-L92 HydrophobicContact CZ-CD1 3.94Å
93	R	91.5	Very high	91.2	Very high	141 Å²	141	66 Å²	66	53%	0.532	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	161.7	178.2	-62.4	-62.9	-178.3	173.1	-0.2	110.6	L84 Q85	L84-R93 CarbonylContact C-O 3.58Å; L84-R93 VanDerWaalsContact CA-O 3.29Å; L84-R93 WeakPolarHBondContact CA-O 3.39Å; Q85-R93 PolarHBondContact N-O 3.34Å; Q85-R93 PolarHBondContact O-N 2.94Å
94	V	93.7	Very high	90.9	Very high	60 Å²	60	67.3 Å²	67.3	36%	0.364	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	121.9	169.1	-178.7	0	0	0	0	107.9	L51 R82 L84	L51-V94 HydrophobicContact CD1-CG2 3.86Å; R82-V94 HydrophobicContact CG-CG1 3.87Å; L84-V94 HydrophobicContact CD2-CG2 4Å
95	E	93.6	Very high	90.6	Very high	77 Å²	77	72.4 Å²	72.4	36%	0.36	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	-30.8	175.2	174.8	-98.7	-151.1	0	0	111.3	A37 R83 Q85	A37-E95 HydrophobicContact CB-CB 4.01Å; A37-E95 HydrophobicContact CB-CG 3.74Å; R83-E95 WeakPolarHBondContact CB-OE2 3.44Å; R83-E95 VanDerWaalsContact CZ-CD 3.47Å; R83-E95 IonicContact CZ-OE1 2.68Å; R83-E95 IonicContact CZ-OE2 2.79Å; R83-E95 IonicContact NE-OE2 3.88Å; R83-E95 IonicContact NH1-OE1 3.87Å; R83-E95 PolarHBondContact NH1-OE1 2.96Å; R83-E95 IonicContact NH1-OE2 2.65Å; R83-E95 PolarHBondContact NH1-OE2 3.2Å; R83-E95 IonicContact NH2-OE1 3.69Å; R83-E95 PolarHBondContact NH2-OE1 2.97Å; R83-E95 IonicContact NH2-OE2 2.66Å; R83-E95 PolarHBondContact O-N 3.41Å; Q85-E95 HydrophobicContact CB-CB 3.86Å
96	G	93.9	Very high	90.3	Very high	20 Å²	20	73.9 Å²	73.9	21%	0.206	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	162.9	-140.4	178.3	0	0	0	0	0	112	R83	R83-G96 PolarHBondContact N-O 3.26Å; R83-G96 PolarHBondContact O-N 3.46Å
97	F	95.4	Very high	90.1	Very high	27 Å²	27	73.6 Å²	73.6	12%	0.118	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	164.5	178.2	-64.6	-88.4	0	0	0	110.2	F78 F81 R82 R83 A158 P185 M229	F78-F97 AromaticContact CD1-CE1 3.93Å; F78-F97 HydrophobicContact CD1-CE1 3.93Å; F78-F97 AromaticContact CE1-CE1 3.84Å; F78-F97 HydrophobicContact CE1-CE1 3.84Å; F78-F97 HydrophobicContact CE1-CZ 4.15Å; F81-F97 AromaticContact CD1-CD1 3.91Å; F81-F97 HydrophobicContact CD1-CD1 3.91Å; F81-F97 HydrophobicContact CD1-CE1 4.11Å; F81-F97 HydrophobicContact CD2-CD1 4.07Å; F81-F97 AromaticContact CE1-CD1 3.72Å; F81-F97 HydrophobicContact CE1-CD1 3.72Å; F81-F97 AromaticContact CE1-CE1 3.88Å; F81-F97 HydrophobicContact CE1-CE1 3.88Å; F81-F97 HydrophobicContact CE2-CB 4.19Å; F81-F97 AromaticContact CE2-CD1 3.91Å; F81-F97 HydrophobicContact CE2-CD1 3.91Å; F81-F97 HydrophobicContact CE2-CG 4.37Å; F81-F97 HydrophobicContact CG-CD1 4.08Å; F81-F97 AromaticContact CZ-CD1 3.74Å; F81-F97 HydrophobicContact CZ-CD1 3.74Å; F81-F97 HydrophobicContact CZ-CE1 4.29Å; F81-F97 HydrophobicContact CZ-CG 4.34Å; R82-F97 HydrophobicContact CB-CD1 4.15Å; R82-F97 HydrophobicContact CB-CE1 3.96Å; R82-F97 HydrophobicContact CG-CD1 4.43Å; R82-F97 HydrophobicContact CG-CE1 4.06Å; R82-F97 HydrophobicContact CG-CZ 4.49Å; R83-F97 VanDerWaalsContact CD-O 3.3Å; R83-F97 WeakPolarHBondContact CD-O 3.21Å; F97-A158 HydrophobicContact CB-CB 4.13Å; F97-P185 HydrophobicContact CE2-CB 3.6Å; F97-P185 HydrophobicContact CZ-CB 3.78Å; F97-M229 HydrophobicContact CB-CE 4.09Å; F97-M229 HydrophobicContact CB-SD 4.43Å; F97-M229 HydrophobicContact CD1-CE 4.02Å; F97-M229 HydrophobicContact CD2-CE 3.59Å; F97-M229 HydrophobicContact CD2-SD 3.65Å; F97-M229 HydrophobicContact CE1-CE 4.4Å; F97-M229 HydrophobicContact CE2-CE 4.02Å; F97-M229 HydrophobicContact CE2-SD 4.21Å; F97-M229 HydrophobicContact CG-CE 3.61Å; F97-M229 HydrophobicContact CG-SD 4.14Å; F97-M229 HydrophobicContact CZ-CE 4.41Å
98	L	94.6	Very high	90.3	Very high	12 Å²	12	72.2 Å²	72.2	6%	0.063	37%	0.368	C	S	.	.			trans	-60.4	152.3	169.5	-85.3	173.8	0	0	0	111.2	V39 H80 F81 R83 A158 W159	V39-L98 HydrophobicContact CG1-CD1 3.96Å; V39-L98 HydrophobicContact CG1-CG 4.35Å; V39-L98 HydrophobicContact CG2-CD1 4.1Å; V39-L98 HydrophobicContact CG2-CD2 3.76Å; V39-L98 HydrophobicContact CG2-CG 3.98Å; H80-L98 WeakPolarHBondContact O-CD1 3.28Å; F81-L98 PolarHBondContact O-N 3.49Å; R83-L98 HydrophobicContact CG-CG 4.45Å; L98-A158 CarbonylContact O-C 3.59Å; L98-A158 WeakPolarHBondContact O-CA 3.39Å; L98-W159 HydrophobicContact CB-CB 4.5Å; L98-W159 HydrophobicContact CB-CE3 4.12Å; L98-W159 WeakPolarHBondContact CB-O 3.4Å; L98-W159 HydrophobicContact CD1-CE3 3.99Å; L98-W159 HydrophobicContact CD1-CZ3 4.01Å; L98-W159 HydrophobicContact CD2-CE3 4.43Å; L98-W159 HydrophobicContact CG-CE3 4.43Å; L98-W159 PolarHBondContact O-N 3.29Å
99	T	92.8	Very high	90.5	Very high	22 Å²	22	63.2 Å²	63.2	14%	0.135	33%	0.334	C	S	.	.			trans	-122.7	149.3	-179.4	61.2	0	0	0	0	111.1	N101 K102 Q156	T99-N101 PolarHBondContact O-N 2.95Å; T99-K102 PolarHBondContact O-N 2.88Å; T99-Q156 HydrophobicContact CG2-CG 4.35Å
100	P	90.6	Very high	90.7	Very high	16 Å²	16	56.7 Å²	56.7	10%	0.104	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-20.3	-172.8	-31.9	36.9	0	0	0	116.6	Y103 V157 W159 Q232 G236	P100-Y103 WeakPolarHBondContact O-CD1 3.47Å; P100-Y103 VanDerWaalsContact O-CE1 3.29Å; P100-Y103 WeakPolarHBondContact O-CE1 3.46Å; P100-V157 WeakPolarHBondContact CD-O 3.37Å; P100-V157 HydrophobicContact CG-CB 4.48Å; P100-V157 HydrophobicContact CG-CG1 4.27Å; P100-W159 HydrophobicContact CG-CB 4.18Å; P100-Q232 HydrophobicContact CB-CG 4.42Å; P100-Q232 HydrophobicContact CG-CG 3.85Å; P100-G236 WeakPolarHBondContact O-CA 3.22Å; P100-G236 PolarHBondContact O-N 3.42Å
101	N	89.6	Confident	91.2	Very high	137 Å²	137	55.4 Å²	55.4	73%	0.733	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	5.2	-178.8	-59.6	-21.2	0	0	0	113.5	T99	T99-N101 PolarHBondContact O-N 2.95Å
102	K	87.1	Confident	91.4	Very high	125 Å²	125	55.5 Å²	55.5	54%	0.543	29%	0.288	S	S	.	.			trans	-120.4	73	-177.9	-67.7	-172.9	177.8	-175.3	0	111.2	T99 W159	T99-K102 PolarHBondContact O-N 2.88Å; K102-W159 VanDerWaalsContact O-CZ3 3.31Å; K102-W159 WeakPolarHBondContact O-CZ3 3.37Å
103	Y	89.9	Confident	91.4	Very high	100 Å²	100	55.5 Å²	55.5	39%	0.392	29%	0.289	S	S	.	.			trans	-123.5	166.3	178.3	53.7	-98	0	0	0	111.7	P100 I108 P235	P100-Y103 WeakPolarHBondContact O-CD1 3.47Å; P100-Y103 VanDerWaalsContact O-CE1 3.29Å; P100-Y103 WeakPolarHBondContact O-CE1 3.46Å; Y103-I108 HydrophobicContact CD2-CB 3.66Å; Y103-I108 HydrophobicContact CD2-CG1 4.26Å; Y103-I108 HydrophobicContact CD2-CG2 4.02Å; Y103-I108 HydrophobicContact CE2-CB 3.66Å; Y103-I108 HydrophobicContact CE2-CD1 4.04Å; Y103-I108 HydrophobicContact CE2-CG1 3.75Å; Y103-I108 HydrophobicContact CE2-CG2 3.99Å; Y103-P235 HydrophobicContact CD1-CB 3.62Å; Y103-P235 HydrophobicContact CE1-CB 4.21Å; Y103-P235 HydrophobicContact CG-CB 3.8Å
104	D	88.9	Confident	91	Very high	62 Å²	62	53.7 Å²	53.7	33%	0.332	29%	0.289	S	S	.	.			trans	-104	171.3	171.8	56.8	31.2	0	0	0	112	E106 A107 I108 R161	D104-E106 PolarHBondContact O-N 3.21Å; D104-E106 PolarHBondContact OD1-N 2.99Å; D104-A107 PolarHBondContact O-N 3.23Å; D104-A107 VanDerWaalsContact OD1-CB 3.32Å; D104-A107 WeakPolarHBondContact OD1-CB 3.38Å; D104-A107 PolarHBondContact OD1-N 2.89Å; D104-I108 WeakPolarHBondContact O-CG2 3.42Å; D104-I108 PolarHBondContact O-N 2.93Å; D104-R161 IonicContact OD1-CZ 2.79Å; D104-R161 IonicContact OD1-NH1 3.66Å; D104-R161 PolarHBondContact OD1-NH1 3.2Å; D104-R161 IonicContact OD1-NH2 2.69Å; D104-R161 PolarHBondContact OD1-NH2 3.22Å; D104-R161 VanDerWaalsContact OD1-NH2 3.17Å; D104-R161 IonicContact OD2-CZ 2.64Å; D104-R161 IonicContact OD2-NH1 3.07Å; D104-R161 PolarHBondContact OD2-NH1 3.47Å; D104-R161 IonicContact OD2-NH2 3.12Å; D104-R161 PolarHBondContact OD2-NH2 3.36Å
105	S	88.3	Confident	90.3	Very high	107 Å²	107	53.8 Å²	53.8	75%	0.748	29%	0.29	S	S	*	.	H	α-helix	trans	-60.9	-28.4	180	-51	0	0	0	0	113.6	G109	S105-G109 PolarHBondContact O-N 2.95Å; S105-G109 VanDerWaalsContact O-N 3.12Å
106	E	87.9	Confident	89.3	Confident	106 Å²	106	58.5 Å²	58.5	50%	0.495	31%	0.31	S	S	.	.	H	α-helix	trans	-68.5	-50.4	177.2	-170.3	-174.2	160	0	0	110	R18 D104 G109	R18-E106 IonicContact NH2-OE2 3.6Å; R18-E106 PolarHBondContact NH2-OE2 3.26Å; D104-E106 PolarHBondContact O-N 3.21Å; D104-E106 PolarHBondContact OD1-N 2.99Å; E106-G109 PolarHBondContact O-N 3.05Å
107	A	89.8	Confident	87.7	Confident	11 Å²	11	65 Å²	65	9%	0.091	34%	0.339	C	S	.	.	H	α-helix	trans	-65	-42	-179	0	0	0	0	0	113.4	D104 W159	D104-A107 PolarHBondContact O-N 3.23Å; D104-A107 VanDerWaalsContact OD1-CB 3.32Å; D104-A107 WeakPolarHBondContact OD1-CB 3.38Å; D104-A107 PolarHBondContact OD1-N 2.89Å; A107-W159 HydrophobicContact CB-CH2 3.71Å; A107-W159 HydrophobicContact CB-CZ2 3.85Å
108	I	92.6	Very high	86.5	Confident	24 Å²	24	65.7 Å²	65.7	12%	0.123	35%	0.346	C	S	.	.	H	α-helix	trans	-74.6	-32.4	179.6	-170.6	63.3	0	0	0	112.7	Y103 D104 L110 W111 L112 P235 A238	Y103-I108 HydrophobicContact CD2-CB 3.66Å; Y103-I108 HydrophobicContact CD2-CG1 4.26Å; Y103-I108 HydrophobicContact CD2-CG2 4.02Å; Y103-I108 HydrophobicContact CE2-CB 3.66Å; Y103-I108 HydrophobicContact CE2-CD1 4.04Å; Y103-I108 HydrophobicContact CE2-CG1 3.75Å; Y103-I108 HydrophobicContact CE2-CG2 3.99Å; D104-I108 WeakPolarHBondContact O-CG2 3.42Å; D104-I108 PolarHBondContact O-N 2.93Å; I108-L110 PolarHBondContact O-N 2.84Å; I108-W111 PolarHBondContact O-N 3.32Å; I108-W111 VanDerWaalsContact O-N 3.16Å; I108-L112 HydrophobicContact CD1-CD1 4.1Å; I108-L112 HydrophobicContact CD1-CG 4.13Å; I108-L112 HydrophobicContact CG1-CD1 3.7Å; I108-L112 HydrophobicContact CG1-CG 4.08Å; I108-L112 PolarHBondContact O-N 3.06Å; I108-P235 HydrophobicContact CB-CG 4.37Å; I108-P235 HydrophobicContact CD1-CB 4.31Å; I108-P235 HydrophobicContact CD1-CG 3.8Å; I108-A238 HydrophobicContact CD1-CB 3.78Å
109	G	91.1	Very high	85	Confident	20 Å²	20	71.3 Å²	71.3	21%	0.206	38%	0.381	C	S	.	.	H	α-helix	trans	-64.8	-22.8	179.1	0	0	0	0	0	114.5	S105 E106 W111	S105-G109 PolarHBondContact O-N 2.95Å; S105-G109 VanDerWaalsContact O-N 3.12Å; E106-G109 PolarHBondContact O-N 3.05Å; G109-W111 VanDerWaalsContact C-N 3.29Å; G109-W111 PolarHBondContact O-N 2.99Å
110	L	91.1	Very high	83.6	Confident	25 Å²	25	73.2 Å²	73.2	13%	0.131	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-35	173.9	-176.4	60	0	0	0	112.4	I108 P598 Y600 F601 K815	I108-L110 PolarHBondContact O-N 2.84Å; L110-P598 HydrophobicContact CD1-CB 4.26Å; L110-P598 HydrophobicContact CD1-CG 4.36Å; L110-Y600 HydrophobicContact CD1-CG 4.05Å; L110-Y600 HydrophobicContact CD2-CD1 3.61Å; L110-Y600 HydrophobicContact CD2-CE1 4Å; L110-Y600 HydrophobicContact CD2-CG 3.92Å; L110-F601 HydrophobicContact CD1-CE2 3.92Å; L110-F601 HydrophobicContact CD2-CE2 3.94Å; L110-F601 HydrophobicContact CD2-CZ 3.74Å; L110-F601 HydrophobicContact CG-CE2 4.08Å; L110-F601 HydrophobicContact CG-CZ 4.22Å; L110-K815 PolarHBondContact O-NZ 2.78Å
111	W	93.9	Very high	82.8	Confident	5 Å²	5	73.3 Å²	73.3	2%	0.019	41%	0.405	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-32.6	-169.5	-54.7	95.3	0	0	0	113.7	I108 G109 A162 I233 I234 A238 F601 Y811 K815	I108-W111 PolarHBondContact O-N 3.32Å; I108-W111 VanDerWaalsContact O-N 3.16Å; G109-W111 VanDerWaalsContact C-N 3.29Å; G109-W111 PolarHBondContact O-N 2.99Å; W111-A162 HydrophobicContact CZ2-CB 4.24Å; W111-I233 HydrophobicContact CH2-CG2 4.33Å; W111-I233 HydrophobicContact CZ2-CG2 4Å; W111-I234 HydrophobicContact CB-CG2 4.27Å; W111-I234 HydrophobicContact CD2-CB 4.39Å; W111-I234 HydrophobicContact CD2-CG1 3.95Å; W111-I234 HydrophobicContact CD2-CG2 4.08Å; W111-I234 HydrophobicContact CE3-CD1 3.83Å; W111-I234 HydrophobicContact CE3-CG1 3.64Å; W111-I234 HydrophobicContact CE3-CG2 4.33Å; W111-I234 HydrophobicContact CG-CG2 4.05Å; W111-I234 HydrophobicContact CH2-CG1 3.88Å; W111-I234 HydrophobicContact CZ2-CG1 4.17Å; W111-I234 HydrophobicContact CZ3-CD1 3.82Å; W111-I234 HydrophobicContact CZ3-CG1 3.62Å; W111-A238 HydrophobicContact CB-CB 4.16Å; W111-F601 AromaticContact CH2-CE1 3.96Å; W111-F601 HydrophobicContact CH2-CE1 3.96Å; W111-F601 AromaticContact CH2-CZ 3.6Å; W111-F601 HydrophobicContact CH2-CZ 3.6Å; W111-F601 HydrophobicContact CZ2-CE1 4.26Å; W111-F601 AromaticContact CZ2-CZ 3.84Å; W111-F601 HydrophobicContact CZ2-CZ 3.84Å; W111-F601 HydrophobicContact CZ3-CZ 4.18Å; W111-Y811 HydrophobicContact CB-CE1 4.27Å; W111-Y811 AromaticContact CE3-CD1 3.95Å; W111-Y811 HydrophobicContact CE3-CD1 3.95Å; W111-Y811 AromaticContact CE3-CE1 3.59Å; W111-Y811 HydrophobicContact CE3-CE1 3.59Å; W111-Y811 HydrophobicContact CZ3-CD1 4.31Å; W111-Y811 HydrophobicContact CZ3-CE1 4.39Å; W111-Y811 PolarHBondContact O-OH 3.41Å; W111-K815 WeakPolarHBondContact O-CD 3.34Å; W111-K815 WeakPolarHBondContact O-CG 2.9Å
112	L	93.1	Very high	82.7	Confident	54 Å²	54	69.8 Å²	69.8	28%	0.283	39%	0.386	S	S	.	.	S	Bend	trans	-79.3	147.6	178.4	-65.9	-177.7	0	0	0	112.9	I108 L114 A238 V242	I108-L112 HydrophobicContact CD1-CD1 4.1Å; I108-L112 HydrophobicContact CD1-CG 4.13Å; I108-L112 HydrophobicContact CG1-CD1 3.7Å; I108-L112 HydrophobicContact CG1-CG 4.08Å; I108-L112 PolarHBondContact O-N 3.06Å; L112-L114 PolarHBondContact O-N 3.25Å; L112-A238 HydrophobicContact CD2-CB 3.74Å; L112-A238 HydrophobicContact CG-CB 4.31Å; L112-V242 HydrophobicContact CD2-CG2 4.24Å
113	P	89.6	Confident	82.9	Confident	15 Å²	15	66.3 Å²	66.3	10%	0.097	37%	0.373	C	S	.	.			trans	-72	112.1	177.8	27.9	-35	0	0	0	111	I245 K815 V818 A819	P113-I245 HydrophobicContact CG-CD1 4.32Å; P113-K815 HydrophobicContact CB-CG 4.11Å; P113-K815 WeakPolarHBondContact CB-O 3.44Å; P113-V818 HydrophobicContact CB-CG1 3.9Å; P113-V818 HydrophobicContact CG-CG1 3.92Å; P113-A819 HydrophobicContact CB-CB 3.97Å
114	L	83.1	Confident	83	Confident	102 Å²	102	66.4 Å²	66.4	53%	0.534	38%	0.38	S	S	.	.			trans	-88.1	111.6	180	-56.4	-178.8	0	0	0	110	L112 K116	L112-L114 PolarHBondContact O-N 3.25Å; L114-K116 PolarHBondContact O-N 2.94Å
115	T	80.2	Confident	83.1	Confident	62 Å²	62	63.8 Å²	63.8	38%	0.38	37%	0.367	S	S	.	.			trans	-78.8	-4.4	179	53	0	0	0	0	114.1	K822	T115-K822 HydrophobicContact CG2-CB 3.66Å
116	K	71.6	Confident	83.4	Confident	177 Å²	177	58.7 Å²	58.7	77%	0.77	33%	0.331	S	S	*	.	S	Bend	trans	-91.1	134	173	-64.5	-178.4	179.5	-177.6	0	108.9	L114	L114-K116 PolarHBondContact O-N 2.94Å
117	N	61.4	Low	83.8	Confident	155 Å²	155	56.5 Å²	56.5	83%	0.829	32%	0.32	S	S	*	.	S	Bend	trans	55.8	48.7	176.9	-53.3	-3.3	0	0	0	113.2	V119	N117-V119 PolarHBondContact O-N 3.17Å
118	V	68.4	Low	84	Confident	43 Å²	43	57.6 Å²	57.6	26%	0.261	32%	0.322	S	S	.	.			trans	-71	119.8	169.2	-169	0	0	0	0	108.5	A819 M820 A823	V118-A819 HydrophobicContact CG2-CB 4.14Å; V118-M820 HydrophobicContact CB-SD 4.02Å; V118-M820 HydrophobicContact CG1-CB 3.89Å; V118-M820 HydrophobicContact CG1-CG 4.34Å; V118-M820 HydrophobicContact CG1-SD 3.58Å; V118-M820 VanDerWaalsContact CG1-SD 3.58Å; V118-A823 HydrophobicContact CG2-CB 3.94Å
119	V	63.1	Low	84.1	Confident	130 Å²	130	56.4 Å²	56.4	79%	0.788	32%	0.316	S	S	*	.			trans	-127.4	146.5	-175.5	177.8	0	0	0	0	109.3	N117 T121	N117-V119 PolarHBondContact O-N 3.17Å; V119-T121 PolarHBondContact O-N 3.2Å
120	G	64.1	Low	84.3	Confident	62 Å²	62	55.5 Å²	55.5	64%	0.639	31%	0.306	S	S	*	.	S	Bend	trans	79.8	10.4	166.3	0	0	0	0	0	116.9
121	T	75.1	Confident	84.4	Confident	17 Å²	17	56.4 Å²	56.4	10%	0.104	32%	0.317	C	S	.	.			trans	-141.1	120.1	170.6	-66	0	0	0	0	109.8	V119 T125 A126 R596 M820	V119-T121 PolarHBondContact O-N 3.2Å; T121-T125 HydrophobicContact CG2-CG2 4.21Å; T121-A126 HydrophobicContact CG2-CB 3.92Å; T121-R596 PolarHBondContact OG1-NH2 3.01Å; T121-M820 WeakPolarHBondContact O-CG 3.35Å
122	D	87.3	Confident	84.4	Confident	64 Å²	64	58.5 Å²	58.5	34%	0.342	33%	0.329	S	S	.	.			trans	-78.7	166.1	172.9	60.4	67.5	0	0	0	112.6	D124 T125 A126 K590	D122-D124 VanDerWaalsContact C-N 3.34Å; D122-D124 PolarHBondContact O-N 2.87Å; D122-D124 PolarHBondContact OD1-N 3.27Å; D122-T125 PolarHBondContact O-N 3.3Å; D122-T125 WeakPolarHBondContact OD1-CB 3.42Å; D122-T125 PolarHBondContact OD1-N 3.35Å; D122-T125 PolarHBondContact OD1-OG1 3.41Å; D122-T125 PolarHBondContact OD2-OG1 3.02Å; D122-A126 PolarHBondContact O-N 2.9Å; D122-K590 IonicContact OD1-NZ 2.75Å; D122-K590 WeakPolarHBondContact OD2-CD 3.42Å; D122-K590 IonicContact OD2-NZ 3.19Å; D122-K590 PolarHBondContact OD2-NZ 3.5Å
123	L	90.8	Very high	84.5	Confident	52 Å²	52	55.9 Å²	55.9	27%	0.272	32%	0.315	S	S	.	.	H	α-helix	trans	-58.9	-41.3	-172.5	-179.9	62.9	0	0	0	113.2	A126 K127 W253 L821	L123-A126 PolarHBondContact O-N 2.88Å; L123-K127 WeakPolarHBondContact O-CG 3.31Å; L123-K127 PolarHBondContact O-N 3.44Å; L123-W253 HydrophobicContact CD1-CE3 4.45Å; L123-W253 HydrophobicContact CD1-CH2 3.69Å; L123-W253 HydrophobicContact CD1-CZ2 4.23Å; L123-W253 HydrophobicContact CD1-CZ3 3.82Å; L123-W253 HydrophobicContact CD2-CH2 4.2Å; L123-W253 HydrophobicContact CD2-CZ3 4.04Å; L123-W253 HydrophobicContact CG-CZ3 4.4Å; L123-L821 HydrophobicContact CD1-CD2 3.65Å
124	D	91.3	Very high	84.8	Confident	101 Å²	101	55.2 Å²	55.2	54%	0.54	31%	0.311	S	S	.	.	H	α-helix	trans	-81.1	-31.3	-176.3	-62.8	-46.2	0	0	0	112	D122 A126 K127 Y128	D122-D124 VanDerWaalsContact C-N 3.34Å; D122-D124 PolarHBondContact O-N 2.87Å; D122-D124 PolarHBondContact OD1-N 3.27Å; D124-A126 VanDerWaalsContact C-N 3.35Å; D124-K127 PolarHBondContact O-N 2.92Å; D124-K127 WeakPolarHBondContact OD1-CD 3.37Å; D124-K127 IonicContact OD1-NZ 3.39Å; D124-K127 PolarHBondContact OD1-NZ 3.48Å; D124-Y128 VanDerWaalsContact O-CB 3.29Å; D124-Y128 WeakPolarHBondContact O-CB 3.38Å; D124-Y128 PolarHBondContact O-N 2.93Å
125	T	92.2	Very high	85.3	Confident	8 Å²	8	51.2 Å²	51.2	5%	0.049	29%	0.29	C	S	.	.	H	α-helix	trans	-62.9	-41.4	167	-54.6	0	0	0	0	110.6	T121 D122 Y128 I129 K590 L591	T121-T125 HydrophobicContact CG2-CG2 4.21Å; D122-T125 PolarHBondContact O-N 3.3Å; D122-T125 WeakPolarHBondContact OD1-CB 3.42Å; D122-T125 PolarHBondContact OD1-N 3.35Å; D122-T125 PolarHBondContact OD1-OG1 3.41Å; D122-T125 PolarHBondContact OD2-OG1 3.02Å; T125-Y128 PolarHBondContact O-N 3.29Å; T125-I129 HydrophobicContact CG2-CD1 3.91Å; T125-I129 WeakPolarHBondContact O-CB 3.38Å; T125-I129 VanDerWaalsContact O-CG1 3.32Å; T125-I129 WeakPolarHBondContact O-CG1 3.41Å; T125-I129 PolarHBondContact O-N 3.19Å; T125-K590 HydrophobicContact CG2-CB 4.34Å; T125-K590 HydrophobicContact CG2-CD 4.25Å; T125-K590 HydrophobicContact CG2-CG 4.34Å; T125-K590 VanDerWaalsContact CG2-O 3.24Å; T125-K590 WeakPolarHBondContact CG2-O 3.41Å; T125-K590 PolarHBondContact OG1-NZ 2.87Å; T125-K590 VanDerWaalsContact OG1-NZ 3.13Å; T125-L591 HydrophobicContact CG2-CD2 3.85Å; T125-L591 HydrophobicContact CG2-CG 4.4Å
126	A	94.4	Very high	85.8	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-62.2	-45.3	174.5	0	0	0	0	0	112.4	T121 D122 L123 D124 L130 A817 M820 L821	T121-A126 HydrophobicContact CG2-CB 3.92Å; D122-A126 PolarHBondContact O-N 2.9Å; L123-A126 PolarHBondContact O-N 2.88Å; D124-A126 VanDerWaalsContact C-N 3.35Å; A126-L130 WeakPolarHBondContact O-CB 3.49Å; A126-L130 PolarHBondContact O-N 3.39Å; A126-A817 HydrophobicContact CB-CB 4.14Å; A126-M820 HydrophobicContact CB-CB 4.07Å; A126-M820 HydrophobicContact CB-CG 4.27Å; A126-L821 HydrophobicContact CB-CD1 4.38Å; A126-L821 HydrophobicContact CB-CD2 4.48Å; A126-L821 HydrophobicContact CB-CG 4.08Å
127	K	95	Very high	87	Confident	60 Å²	60	41.8 Å²	41.8	26%	0.261	24%	0.244	S	C	.	.	H	α-helix	trans	-58.8	-46.8	172.6	-67.8	168.9	-166.2	157.4	0	111.4	L123 D124 L130 A131 I255 L821	L123-K127 WeakPolarHBondContact O-CG 3.31Å; L123-K127 PolarHBondContact O-N 3.44Å; D124-K127 PolarHBondContact O-N 2.92Å; D124-K127 WeakPolarHBondContact OD1-CD 3.37Å; D124-K127 IonicContact OD1-NZ 3.39Å; D124-K127 PolarHBondContact OD1-NZ 3.48Å; K127-L130 PolarHBondContact O-N 3.47Å; K127-A131 WeakPolarHBondContact O-CB 3.5Å; K127-A131 PolarHBondContact O-N 3.27Å; K127-I255 HydrophobicContact CB-CD1 4.29Å; K127-I255 HydrophobicContact CG-CD1 4.26Å; K127-L821 HydrophobicContact CG-CD2 4.07Å
128	Y	94.1	Very high	88.5	Confident	33 Å²	33	34.5 Å²	34.5	13%	0.129	21%	0.205	C	C	.	.	H	α-helix	trans	-63.4	-45.1	-176.6	-172.4	-107	0	0	0	112.5	D124 T125 A131 N132 R475 K479 L591 P777 E778	D124-Y128 VanDerWaalsContact O-CB 3.29Å; D124-Y128 WeakPolarHBondContact O-CB 3.38Å; D124-Y128 PolarHBondContact O-N 2.93Å; T125-Y128 PolarHBondContact O-N 3.29Å; Y128-A131 PolarHBondContact O-N 2.83Å; Y128-N132 WeakPolarHBondContact CE2-ND2 3.24Å; Y128-N132 PolarHBondContact O-N 2.9Å; Y128-N132 PolarHBondContact O-ND2 2.9Å; Y128-R475 WeakPolarHBondContact OH-CD 3.3Å; Y128-R475 WeakPolarHBondContact OH-CG 3.38Å; Y128-R475 PolarHBondContact OH-NE 2.95Å; Y128-K479 WeakPolarHBondContact OH-CE 3.33Å; Y128-L591 HydrophobicContact CD1-CD2 3.86Å; Y128-L591 HydrophobicContact CE1-CD2 4.34Å; Y128-P777 HydrophobicContact CD1-CG 4.46Å; Y128-P777 HydrophobicContact CE1-CB 4.3Å; Y128-P777 HydrophobicContact CE1-CG 4.35Å; Y128-E778 WeakPolarHBondContact CE1-OE1 3.46Å; Y128-E778 VanDerWaalsContact OH-CD 3.28Å; Y128-E778 PolarHBondContact OH-OE1 3.48Å
129	I	94.9	Very high	89.7	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-60.9	-51.7	174.8	-70.3	168.7	0	0	0	109.7	T125 A131 N132 I133 L593 R596 P777 A813 A817	T125-I129 HydrophobicContact CG2-CD1 3.91Å; T125-I129 WeakPolarHBondContact O-CB 3.38Å; T125-I129 VanDerWaalsContact O-CG1 3.32Å; T125-I129 WeakPolarHBondContact O-CG1 3.41Å; T125-I129 PolarHBondContact O-N 3.19Å; I129-A131 PolarHBondContact O-N 3.25Å; I129-N132 PolarHBondContact O-N 3.12Å; I129-I133 HydrophobicContact CG2-CD1 3.58Å; I129-I133 HydrophobicContact CG2-CG1 3.85Å; I129-I133 WeakPolarHBondContact O-CG1 3.33Å; I129-I133 PolarHBondContact O-N 3.14Å; I129-L593 HydrophobicContact CD1-CD2 4.22Å; I129-L593 HydrophobicContact CG1-CD2 4.25Å; I129-L593 HydrophobicContact CG2-CD2 4.32Å; I129-R596 VanDerWaalsContact CD1-NH2 3.27Å; I129-P777 HydrophobicContact CG1-CG 4.12Å; I129-A813 HydrophobicContact CG2-CB 4.32Å; I129-A817 HydrophobicContact CG2-CB 4.34Å
130	L	94.9	Very high	91	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-69.1	-21	-176.3	-165	59.9	0	0	0	113.6	A126 K127 G134 V246 V249 R250 I255 V814 A817 V818 L821	A126-L130 WeakPolarHBondContact O-CB 3.49Å; A126-L130 PolarHBondContact O-N 3.39Å; K127-L130 PolarHBondContact O-N 3.47Å; L130-G134 WeakPolarHBondContact O-CA 2.96Å; L130-G134 PolarHBondContact O-N 3.18Å; L130-V246 HydrophobicContact CD1-CG1 4.22Å; L130-V249 HydrophobicContact CD2-CG1 3.9Å; L130-R250 HydrophobicContact CD2-CG 3.76Å; L130-R250 HydrophobicContact CG-CG 3.78Å; L130-R250 PolarHBondContact O-NE 2.73Å; L130-R250 PolarHBondContact O-NH2 2.98Å; L130-R250 VanDerWaalsContact O-NH2 3.16Å; L130-I255 HydrophobicContact CB-CD1 4.29Å; L130-I255 HydrophobicContact CD2-CD1 4.1Å; L130-I255 HydrophobicContact CG-CD1 4.45Å; L130-V814 HydrophobicContact CD1-CG1 3.99Å; L130-V814 HydrophobicContact CD1-CG2 4.3Å; L130-A817 HydrophobicContact CB-CB 4.48Å; L130-V818 HydrophobicContact CD1-CG2 4.46Å; L130-V818 HydrophobicContact CD2-CG2 4.21Å; L130-L821 HydrophobicContact CD2-CD1 3.63Å
131	A	94.6	Very high	92.5	Very high	44 Å²	44	28.2 Å²	28.2	36%	0.364	15%	0.148	S	C	.	.	H	α-helix	trans	-68.6	-52.8	168.8	0	0	0	0	0	111.5	K127 Y128 I129 R250 I255	K127-A131 WeakPolarHBondContact O-CB 3.5Å; K127-A131 PolarHBondContact O-N 3.27Å; Y128-A131 PolarHBondContact O-N 2.83Å; I129-A131 PolarHBondContact O-N 3.25Å; A131-R250 PolarHBondContact O-NH2 3.42Å; A131-I255 HydrophobicContact CB-CG2 4.01Å
132	N	93.9	Very high	93.3	Very high	49 Å²	49	29.2 Å²	29.2	26%	0.262	15%	0.153	S	C	.	.	H	α-helix	trans	-75.1	-45.9	-175.4	-69.5	-72.7	0	0	0	113.4	Y128 I129 H136 P777	Y128-N132 WeakPolarHBondContact CE2-ND2 3.24Å; Y128-N132 PolarHBondContact O-N 2.9Å; Y128-N132 PolarHBondContact O-ND2 2.9Å; I129-N132 PolarHBondContact O-N 3.12Å; N132-H136 PolarHBondContact O-ND1 3.16Å; N132-P777 HydrophobicContact CB-CB 4.02Å
133	I	95.2	Very high	93.5	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-14.4	-169.4	86	171.6	0	0	0	113.5	I129 D135 H136 F137 L593 P777 V780 A813 V814	I129-I133 HydrophobicContact CG2-CD1 3.58Å; I129-I133 HydrophobicContact CG2-CG1 3.85Å; I129-I133 WeakPolarHBondContact O-CG1 3.33Å; I129-I133 PolarHBondContact O-N 3.14Å; I133-D135 VanDerWaalsContact C-N 3.3Å; I133-D135 PolarHBondContact O-N 3.05Å; I133-H136 PolarHBondContact O-N 3.42Å; I133-H136 VanDerWaalsContact O-N 3.14Å; I133-F137 PolarHBondContact O-N 2.94Å; I133-L593 HydrophobicContact CD1-CD1 4.23Å; I133-L593 HydrophobicContact CG2-CD1 4.07Å; I133-P777 HydrophobicContact CG2-CB 4.13Å; I133-V780 HydrophobicContact CB-CG1 4.25Å; I133-V780 HydrophobicContact CG2-CG1 3.61Å; I133-A813 HydrophobicContact CD1-CB 3.48Å; I133-A813 VanDerWaalsContact CD1-CB 3.48Å; I133-V814 HydrophobicContact CD1-CG2 3.69Å; I133-V814 HydrophobicContact CG1-CG2 3.57Å
134	G	95.3	Very high	93.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.6	-33.2	-175.9	0	0	0	0	0	114.1	L130 C138	L130-G134 WeakPolarHBondContact O-CA 2.96Å; L130-G134 PolarHBondContact O-N 3.18Å; G134-C138 PolarHBondContact O-N 2.76Å; G134-C138 VanDerWaalsContact O-N 3.17Å; G134-C138 PolarHBondContact O-SG 3.38Å
135	D	93.2	Very high	93.7	Very high	18 Å²	18	25.1 Å²	25.1	10%	0.096	13%	0.13	C	C	.	.	H	α-helix	trans	-73	-36.7	175.9	-71.4	-23.1	0	0	0	112.1	I133 C138 Q139 R250 N258 C259	I133-D135 VanDerWaalsContact C-N 3.3Å; I133-D135 PolarHBondContact O-N 3.05Å; D135-C138 WeakPolarHBondContact O-CB 3.15Å; D135-C138 PolarHBondContact O-N 3.09Å; D135-Q139 WeakPolarHBondContact O-CG 3.33Å; D135-Q139 PolarHBondContact O-N 3.16Å; D135-R250 IonicContact OD1-CZ 3.59Å; D135-R250 IonicContact OD1-NH1 3.87Å; D135-R250 PolarHBondContact OD1-NH1 2.9Å; D135-R250 IonicContact OD1-NH2 3.84Å; D135-R250 PolarHBondContact OD1-NH2 3.39Å; D135-R250 IonicContact OD2-NH2 2.7Å; D135-N258 PolarHBondContact OD1-N 2.88Å; D135-N258 WeakPolarHBondContact OD2-CB 3.24Å; D135-N258 PolarHBondContact OD2-N 3.04Å; D135-N258 PolarHBondContact OD2-ND2 2.81Å; D135-C259 HydrophobicContact CB-CB 4.22Å; D135-C259 WeakPolarHBondContact OD1-CB 3.49Å; D135-C259 PolarHBondContact OD1-N 3.17Å; D135-C259 VanDerWaalsContact OD1-N 3.12Å
136	H	92.1	Very high	93.7	Very high	41 Å²	41	29.7 Å²	29.7	19%	0.19	15%	0.151	C	C	.	.	H	α-helix	trans	-67.9	-40.6	176.1	-59.9	107.5	0	0	0	111.9	N132 I133 C138 Q139 M140 K781	N132-H136 PolarHBondContact O-ND1 3.16Å; I133-H136 PolarHBondContact O-N 3.42Å; I133-H136 VanDerWaalsContact O-N 3.14Å; H136-C138 VanDerWaalsContact C-N 3.31Å; H136-C138 PolarHBondContact O-N 3.26Å; H136-Q139 WeakPolarHBondContact O-CB 3.45Å; H136-Q139 PolarHBondContact O-N 2.84Å; H136-M140 PolarHBondContact O-N 2.64Å; H136-K781 WeakPolarHBondContact NE2-CD 3.44Å; H136-K781 WeakPolarHBondContact NE2-CG 3.22Å
137	F	95	Very high	93.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.1	-42	169.4	172.4	-91.2	0	0	0	112	I133 Q139 M140 V141 V242 V246 I810 Y811 V814	I133-F137 PolarHBondContact O-N 2.94Å; F137-Q139 PolarHBondContact O-N 3.1Å; F137-M140 HydrophobicContact CD2-CE 3.85Å; F137-M140 HydrophobicContact CE2-CE 4.25Å; F137-M140 WeakPolarHBondContact O-CB 3.28Å; F137-M140 PolarHBondContact O-N 3.24Å; F137-V141 HydrophobicContact CD1-CG2 4.24Å; F137-V141 HydrophobicContact CE1-CG2 3.79Å; F137-V141 HydrophobicContact CE2-CG2 4.37Å; F137-V141 HydrophobicContact CZ-CG2 3.84Å; F137-V141 WeakPolarHBondContact O-CG2 3.45Å; F137-V141 PolarHBondContact O-N 2.63Å; F137-V242 HydrophobicContact CE1-CG1 4.33Å; F137-V242 HydrophobicContact CE2-CG1 4.36Å; F137-V242 HydrophobicContact CZ-CB 4.24Å; F137-V242 HydrophobicContact CZ-CG1 3.65Å; F137-V246 HydrophobicContact CD1-CG1 4.44Å; F137-V246 HydrophobicContact CD1-CG2 4.11Å; F137-V246 HydrophobicContact CE1-CB 4.35Å; F137-V246 HydrophobicContact CE1-CG2 3.75Å; F137-V246 HydrophobicContact CZ-CG2 4.46Å; F137-I810 HydrophobicContact CB-CG2 3.82Å; F137-I810 HydrophobicContact CD2-CG2 4.34Å; F137-Y811 HydrophobicContact CD2-CD2 4.46Å; F137-Y811 AromaticContact CE2-CD2 3.59Å; F137-Y811 HydrophobicContact CE2-CD2 3.59Å; F137-Y811 AromaticContact CE2-CE2 3.97Å; F137-Y811 HydrophobicContact CE2-CE2 3.97Å; F137-Y811 HydrophobicContact CE2-CG 4.36Å; F137-Y811 HydrophobicContact CZ-CD2 4.42Å; F137-Y811 HydrophobicContact CZ-CE2 4.39Å; F137-V814 HydrophobicContact CB-CB 4.48Å; F137-V814 HydrophobicContact CB-CG2 3.73Å; F137-V814 HydrophobicContact CD1-CG1 3.99Å; F137-V814 HydrophobicContact CD2-CB 3.9Å; F137-V814 HydrophobicContact CD2-CG1 3.98Å; F137-V814 HydrophobicContact CD2-CG2 4.03Å; F137-V814 HydrophobicContact CE1-CG1 4.14Å; F137-V814 HydrophobicContact CE2-CB 4.3Å; F137-V814 HydrophobicContact CE2-CG1 4.13Å; F137-V814 HydrophobicContact CG-CB 4.11Å; F137-V814 HydrophobicContact CG-CG1 3.92Å; F137-V814 HydrophobicContact CG-CG2 3.9Å; F137-V814 HydrophobicContact CZ-CG1 4.24Å
138	C	94.6	Very high	93.4	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.014	15%	0.151	C	C	.	.	H	α-helix	trans	-64.6	-38.1	176.1	-67.3	0	0	0	0	112.5	G134 D135 H136 V141 I142 H247 C259	G134-C138 PolarHBondContact O-N 2.76Å; G134-C138 VanDerWaalsContact O-N 3.17Å; G134-C138 PolarHBondContact O-SG 3.38Å; D135-C138 WeakPolarHBondContact O-CB 3.15Å; D135-C138 PolarHBondContact O-N 3.09Å; H136-C138 VanDerWaalsContact C-N 3.31Å; H136-C138 PolarHBondContact O-N 3.26Å; C138-V141 PolarHBondContact O-N 3.22Å; C138-I142 VanDerWaalsContact O-CG1 3.27Å; C138-I142 WeakPolarHBondContact O-CG1 3.43Å; C138-I142 PolarHBondContact O-N 3.23Å; C138-H247 PolarHBondContact SG-CE1 3.27Å; C138-C259 HydrophobicContact CB-CB 3.52Å; C138-C259 VanDerWaalsContact SG-SG 3.7Å
139	Q	91.8	Very high	93.3	Very high	90 Å²	90	32.3 Å²	32.3	42%	0.421	18%	0.176	S	C	.	.	H	α-helix	trans	-62.2	-42.7	173.5	-69.5	167.3	-7.1	0	0	111.8	D135 H136 F137 I142 S143	D135-Q139 WeakPolarHBondContact O-CG 3.33Å; D135-Q139 PolarHBondContact O-N 3.16Å; H136-Q139 WeakPolarHBondContact O-CB 3.45Å; H136-Q139 PolarHBondContact O-N 2.84Å; F137-Q139 PolarHBondContact O-N 3.1Å; Q139-I142 PolarHBondContact O-N 3.11Å; Q139-S143 PolarHBondContact O-N 2.8Å
140	M	91.8	Very high	93.1	Very high	10 Å²	10	35.3 Å²	35.3	5%	0.049	19%	0.194	C	C	.	.	H	α-helix	trans	-60.3	-45.6	173.8	-179	175.1	68.8	0	0	111.9	H136 F137 I142 S143 E144 F178 K807 I810 Y811	H136-M140 PolarHBondContact O-N 2.64Å; F137-M140 HydrophobicContact CD2-CE 3.85Å; F137-M140 HydrophobicContact CE2-CE 4.25Å; F137-M140 WeakPolarHBondContact O-CB 3.28Å; F137-M140 PolarHBondContact O-N 3.24Å; M140-I142 VanDerWaalsContact C-N 3.33Å; M140-I142 PolarHBondContact O-N 2.64Å; M140-S143 PolarHBondContact O-N 3.37Å; M140-E144 WeakPolarHBondContact O-CG 3.39Å; M140-E144 PolarHBondContact O-N 2.71Å; M140-E144 VanDerWaalsContact O-N 3.09Å; M140-F178 HydrophobicContact CE-CE1 4.02Å; M140-F178 HydrophobicContact CE-CE2 4.13Å; M140-F178 HydrophobicContact CE-CZ 3.61Å; M140-F178 HydrophobicContact CG-CD1 4.38Å; M140-F178 HydrophobicContact CG-CE1 4.06Å; M140-F178 HydrophobicContact SD-CD1 4.07Å; M140-F178 HydrophobicContact SD-CD2 4.42Å; M140-F178 HydrophobicContact SD-CE1 3.76Å; M140-F178 HydrophobicContact SD-CE2 4.15Å; M140-F178 HydrophobicContact SD-CG 4.4Å; M140-F178 HydrophobicContact SD-CZ 3.81Å; M140-K807 HydrophobicContact CG-CD 4.49Å; M140-K807 HydrophobicContact SD-CB 3.62Å; M140-K807 HydrophobicContact SD-CD 4.11Å; M140-K807 HydrophobicContact SD-CG 3.72Å; M140-I810 HydrophobicContact CE-CG2 4.31Å; M140-Y811 HydrophobicContact CE-CD2 4.31Å
141	V	94.4	Very high	92.9	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.024	20%	0.201	C	C	.	.	H	α-helix	trans	-62.9	-36.7	176.1	172.1	0	0	0	0	112.1	F137 C138 K145 L239 Y240	F137-V141 HydrophobicContact CD1-CG2 4.24Å; F137-V141 HydrophobicContact CE1-CG2 3.79Å; F137-V141 HydrophobicContact CE2-CG2 4.37Å; F137-V141 HydrophobicContact CZ-CG2 3.84Å; F137-V141 WeakPolarHBondContact O-CG2 3.45Å; F137-V141 PolarHBondContact O-N 2.63Å; C138-V141 PolarHBondContact O-N 3.22Å; V141-K145 HydrophobicContact CG1-CD 4.35Å; V141-K145 WeakPolarHBondContact O-CG 3.24Å; V141-K145 PolarHBondContact O-N 3.49Å; V141-K145 VanDerWaalsContact O-N 3.09Å; V141-L239 HydrophobicContact CG2-CD1 3.79Å; V141-L239 HydrophobicContact CG2-CG 4.24Å; V141-Y240 HydrophobicContact CG1-CD1 4.09Å
142	I	92.9	Very high	92.5	Very high	37 Å²	37	38.6 Å²	38.6	19%	0.19	20%	0.203	C	C	.	.	H	α-helix	trans	-63.9	-50.2	173.7	-69.9	162	0	0	0	110.4	C138 Q139 M140 E144 K145 E146 P260	C138-I142 VanDerWaalsContact O-CG1 3.27Å; C138-I142 WeakPolarHBondContact O-CG1 3.43Å; C138-I142 PolarHBondContact O-N 3.23Å; Q139-I142 PolarHBondContact O-N 3.11Å; M140-I142 VanDerWaalsContact C-N 3.33Å; M140-I142 PolarHBondContact O-N 2.64Å; I142-E144 VanDerWaalsContact C-N 3.29Å; I142-E144 PolarHBondContact O-N 3.09Å; I142-K145 CarbonylContact O-C 3.55Å; I142-K145 WeakPolarHBondContact O-CA 3.41Å; I142-K145 WeakPolarHBondContact O-CB 3.44Å; I142-K145 PolarHBondContact O-N 3.12Å; I142-E146 HydrophobicContact CG2-CG 4.22Å; I142-E146 VanDerWaalsContact CG2-OE1 3.29Å; I142-E146 WeakPolarHBondContact CG2-OE1 3.11Å; I142-E146 WeakPolarHBondContact O-CG 3.42Å; I142-E146 PolarHBondContact O-N 3.04Å; I142-P260 HydrophobicContact CD1-CB 3.99Å; I142-P260 HydrophobicContact CD1-CG 4.08Å
143	S	90.8	Very high	92	Very high	41 Å²	41	43 Å²	43	29%	0.287	23%	0.234	S	C	.	.	H	α-helix	trans	-58.6	-39	-178.6	-172	0	0	0	0	112.7	Q139 M140 E146 A147	Q139-S143 PolarHBondContact O-N 2.8Å; M140-S143 PolarHBondContact O-N 3.37Å; S143-E146 PolarHBondContact O-N 3.28Å; S143-A147 WeakPolarHBondContact O-CB 3.4Å; S143-A147 PolarHBondContact O-N 2.89Å
144	E	93.6	Very high	91.4	Very high	3 Å²	3	50 Å²	50	1%	0.014	27%	0.266	C	S	.	.	H	α-helix	trans	-69.3	-40.2	174.3	-64.9	-80.5	146.4	0	0	112	M140 I142 A147 M148 F178 N179 L180 L239 K807	M140-E144 WeakPolarHBondContact O-CG 3.39Å; M140-E144 PolarHBondContact O-N 2.71Å; M140-E144 VanDerWaalsContact O-N 3.09Å; I142-E144 VanDerWaalsContact C-N 3.29Å; I142-E144 PolarHBondContact O-N 3.09Å; E144-A147 PolarHBondContact O-N 2.89Å; E144-M148 WeakPolarHBondContact O-CB 3.23Å; E144-M148 WeakPolarHBondContact O-CG 3.5Å; E144-M148 PolarHBondContact O-N 3Å; E144-F178 HydrophobicContact CG-CD1 4.32Å; E144-F178 HydrophobicContact CG-CE1 4.27Å; E144-N179 VanDerWaalsContact OE2-CB 3.32Å; E144-N179 WeakPolarHBondContact OE2-CB 3.41Å; E144-N179 PolarHBondContact OE2-ND2 2.82Å; E144-L180 VanDerWaalsContact OE2-CB 3.31Å; E144-L180 WeakPolarHBondContact OE2-CB 3.2Å; E144-L180 PolarHBondContact OE2-N 2.73Å; E144-L239 HydrophobicContact CB-CD2 3.74Å; E144-L239 HydrophobicContact CG-CD2 3.85Å; E144-K807 IonicContact OE1-NZ 3.29Å
145	K	93	Very high	91	Very high	88 Å²	88	53.5 Å²	53.5	38%	0.383	28%	0.28	S	S	.	.	H	α-helix	trans	-63	-40.4	173	-74.7	180	-176.9	-177.2	0	111.9	V141 I142 S149 Y240	V141-K145 HydrophobicContact CG1-CD 4.35Å; V141-K145 WeakPolarHBondContact O-CG 3.24Å; V141-K145 PolarHBondContact O-N 3.49Å; V141-K145 VanDerWaalsContact O-N 3.09Å; I142-K145 CarbonylContact O-C 3.55Å; I142-K145 WeakPolarHBondContact O-CA 3.41Å; I142-K145 WeakPolarHBondContact O-CB 3.44Å; I142-K145 PolarHBondContact O-N 3.12Å; K145-S149 PolarHBondContact O-N 3.44Å; K145-Y240 HydrophobicContact CD-CD1 4.13Å; K145-Y240 HydrophobicContact CD-CE1 4.34Å; K145-Y240 HydrophobicContact CG-CD1 3.74Å; K145-Y240 HydrophobicContact CG-CE1 3.45Å; K145-Y240 VanDerWaalsContact CG-CE1 3.45Å
146	E	92.6	Very high	90.8	Very high	103 Å²	103	59.5 Å²	59.5	48%	0.481	31%	0.307	S	S	.	.	H	α-helix	trans	-65	-46	175.4	-73.4	173	178.3	0	0	111.3	I142 S143 M148 S149 T150	I142-E146 HydrophobicContact CG2-CG 4.22Å; I142-E146 VanDerWaalsContact CG2-OE1 3.29Å; I142-E146 WeakPolarHBondContact CG2-OE1 3.11Å; I142-E146 WeakPolarHBondContact O-CG 3.42Å; I142-E146 PolarHBondContact O-N 3.04Å; S143-E146 PolarHBondContact O-N 3.28Å; E146-M148 PolarHBondContact O-N 2.94Å; E146-S149 PolarHBondContact O-N 3.4Å; E146-S149 VanDerWaalsContact O-N 3.1Å; E146-S149 PolarHBondContact O-OG 3.34Å; E146-T150 PolarHBondContact O-N 3.38Å
147	A	91.5	Very high	90.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-61.6	-42.7	176.6	0	0	0	0	0	112	S143 E144 S149 T150 L180 V193	S143-A147 WeakPolarHBondContact O-CB 3.4Å; S143-A147 PolarHBondContact O-N 2.89Å; E144-A147 PolarHBondContact O-N 2.89Å; A147-S149 VanDerWaalsContact C-N 3.3Å; A147-S149 PolarHBondContact O-N 3Å; A147-T150 PolarHBondContact O-N 3.38Å; A147-T150 VanDerWaalsContact O-N 3.15Å; A147-T150 PolarHBondContact O-OG1 3.38Å; A147-L180 HydrophobicContact CB-CD2 3.6Å; A147-V193 HydrophobicContact CB-CG1 3.74Å; A147-V193 HydrophobicContact CB-CG2 4.37Å
148	M	92.1	Very high	91	Very high	54 Å²	54	58.8 Å²	58.8	27%	0.266	31%	0.306	S	S	.	.	H	α-helix	trans	-57.4	-40.6	171	-76.4	-67.4	-76.9	0	0	112.4	E144 E146 T150 I151 V157 L180 Y240	E144-M148 WeakPolarHBondContact O-CB 3.23Å; E144-M148 WeakPolarHBondContact O-CG 3.5Å; E144-M148 PolarHBondContact O-N 3Å; E146-M148 PolarHBondContact O-N 2.94Å; M148-T150 PolarHBondContact O-N 3.01Å; M148-T150 VanDerWaalsContact O-N 3.17Å; M148-I151 WeakPolarHBondContact O-CB 3.43Å; M148-I151 PolarHBondContact O-N 3.46Å; M148-I151 VanDerWaalsContact O-N 3.09Å; M148-I151 HydrophobicContact SD-CD1 3.87Å; M148-V157 HydrophobicContact CE-CG2 4.16Å; M148-V157 HydrophobicContact SD-CG2 4.45Å; M148-L180 HydrophobicContact CG-CD2 4Å; M148-L180 HydrophobicContact SD-CD1 3.54Å; M148-L180 VanDerWaalsContact SD-CD1 3.54Å; M148-L180 HydrophobicContact SD-CD2 3.92Å; M148-L180 HydrophobicContact SD-CG 4.34Å; M148-Y240 WeakPolarHBondContact CG-OH 3.34Å
149	S	91.9	Very high	91.1	Very high	94 Å²	94	58.8 Å²	58.8	66%	0.657	31%	0.306	S	S	*	.	H	α-helix	trans	-66.9	-13.1	179.7	77.8	0	0	0	0	114.6	K145 E146 A147 I151	K145-S149 PolarHBondContact O-N 3.44Å; E146-S149 PolarHBondContact O-N 3.4Å; E146-S149 VanDerWaalsContact O-N 3.1Å; E146-S149 PolarHBondContact O-OG 3.34Å; A147-S149 VanDerWaalsContact C-N 3.3Å; A147-S149 PolarHBondContact O-N 3Å; S149-I151 VanDerWaalsContact C-N 3.34Å
150	T	89.7	Confident	91.2	Very high	63 Å²	63	55 Å²	55	39%	0.387	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-0.8	173.9	69.8	0	0	0	0	114.1	E146 A147 M148	E146-T150 PolarHBondContact O-N 3.38Å; A147-T150 PolarHBondContact O-N 3.38Å; A147-T150 VanDerWaalsContact O-N 3.15Å; A147-T150 PolarHBondContact O-OG1 3.38Å; M148-T150 PolarHBondContact O-N 3.01Å; M148-T150 VanDerWaalsContact O-N 3.17Å
151	I	90.4	Very high	91.3	Very high	25 Å²	25	56.1 Å²	56.1	13%	0.128	29%	0.292	C	S	.	.	S	Bend	trans	-87.9	132.9	176.6	-59.4	168.5	0	0	0	109.1	M148 S149 R155 V157 L180 W182 P230	M148-I151 WeakPolarHBondContact O-CB 3.43Å; M148-I151 PolarHBondContact O-N 3.46Å; M148-I151 VanDerWaalsContact O-N 3.09Å; M148-I151 HydrophobicContact SD-CD1 3.87Å; S149-I151 VanDerWaalsContact C-N 3.34Å; I151-R155 HydrophobicContact CG2-CB 3.87Å; I151-V157 HydrophobicContact CD1-CG2 3.9Å; I151-V157 HydrophobicContact CG2-CG2 4.46Å; I151-L180 HydrophobicContact CD1-CD1 4.2Å; I151-L180 HydrophobicContact CD1-CD2 4.22Å; I151-W182 HydrophobicContact CD1-CZ2 4.47Å; I151-W182 HydrophobicContact CG1-CZ2 4.06Å; I151-P230 HydrophobicContact CD1-CB 3.6Å; I151-P230 HydrophobicContact CD1-CG 4.28Å; I151-P230 HydrophobicContact CG1-CB 4.14Å; I151-P230 HydrophobicContact CG2-CB 4.42Å; I151-P230 HydrophobicContact CG2-CG 3.96Å
152	E	87.5	Confident	91.1	Very high	89 Å²	89	56.6 Å²	56.6	42%	0.416	30%	0.296	S	S	.	.			trans	-63.8	134.9	179.4	-55	175	105.9	0	0	110.6	H154 R155	E152-H154 PolarHBondContact O-N 2.9Å; E152-H154 IonicContact OE1-CE1 2.7Å; E152-H154 IonicContact OE2-CE1 3.98Å; E152-H154 IonicContact OE2-NE2 3.9Å; E152-R155 HydrophobicContact CB-CG 4.25Å; E152-R155 PolarHBondContact O-N 2.98Å; E152-R155 IonicContact OE2-CZ 2.75Å; E152-R155 IonicContact OE2-NE 3.42Å; E152-R155 PolarHBondContact OE2-NE 2.95Å; E152-R155 IonicContact OE2-NH2 3.44Å; E152-R155 PolarHBondContact OE2-NH2 2.86Å
153	P	83.3	Confident	90.9	Very high	141 Å²	141	55.7 Å²	55.7	92%	0.916	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-18.5	-172	-28.9	35.7	0	0	0	116.4
154	H	82.7	Confident	90.8	Very high	146 Å²	146	60.3 Å²	60.3	68%	0.676	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-10	177.9	67	-95.8	0	0	0	113.5	E152 Q156	E152-H154 PolarHBondContact O-N 2.9Å; E152-H154 IonicContact OE1-CE1 2.7Å; E152-H154 IonicContact OE2-CE1 3.98Å; E152-H154 IonicContact OE2-NE2 3.9Å; H154-Q156 PolarHBondContact O-N 2.78Å
155	R	86.7	Confident	90.3	Very high	75 Å²	75	62.5 Å²	62.5	28%	0.283	33%	0.33	S	S	.	.	S	Bend	trans	-82.2	115.1	175.4	-75.6	-170.8	-177.9	-118.7	-6.9	110.2	I151 E152 V157 E226 L228 P230	I151-R155 HydrophobicContact CG2-CB 3.87Å; E152-R155 HydrophobicContact CB-CG 4.25Å; E152-R155 PolarHBondContact O-N 2.98Å; E152-R155 IonicContact OE2-CZ 2.75Å; E152-R155 IonicContact OE2-NE 3.42Å; E152-R155 PolarHBondContact OE2-NE 2.95Å; E152-R155 IonicContact OE2-NH2 3.44Å; E152-R155 PolarHBondContact OE2-NH2 2.86Å; R155-V157 PolarHBondContact O-N 3.17Å; R155-E226 PolarHBondContact NH1-O 2.71Å; R155-E226 PolarHBondContact NH2-O 3.01Å; R155-L228 PolarHBondContact NH1-O 3.29Å; R155-P230 HydrophobicContact CB-CG 4.42Å
156	Q	88.5	Confident	90	Very high	144 Å²	144	60 Å²	60	67%	0.673	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-67.6	125.6	171.3	-176.4	167.4	66.1	0	0	110.6	T99 H154	T99-Q156 HydrophobicContact CG2-CG 4.35Å; H154-Q156 PolarHBondContact O-N 2.78Å
157	V	94.6	Very high	89.7	Confident	21 Å²	21	57.5 Å²	57.5	13%	0.127	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-77.2	130.7	169	-178.6	0	0	0	0	108.9	P100 M148 I151 R155 P230 Q232	P100-V157 WeakPolarHBondContact CD-O 3.37Å; P100-V157 HydrophobicContact CG-CB 4.48Å; P100-V157 HydrophobicContact CG-CG1 4.27Å; M148-V157 HydrophobicContact CE-CG2 4.16Å; M148-V157 HydrophobicContact SD-CG2 4.45Å; I151-V157 HydrophobicContact CD1-CG2 3.9Å; I151-V157 HydrophobicContact CG2-CG2 4.46Å; R155-V157 PolarHBondContact O-N 3.17Å; V157-P230 WeakPolarHBondContact CA-O 3.41Å; V157-P230 HydrophobicContact CG2-CB 4.25Å; V157-P230 HydrophobicContact CG2-CG 4.18Å; V157-Q232 HydrophobicContact CG1-CB 4.38Å; V157-Q232 HydrophobicContact CG1-CG 4.12Å
158	A	96.4	Very high	89.6	Confident	4 Å²	4	58.8 Å²	58.8	3%	0.033	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	162	173.6	0	0	0	0	0	111.5	F81 F97 L98 M229 P230 T231 Q232	F81-A158 HydrophobicContact CE2-CB 3.98Å; F81-A158 HydrophobicContact CZ-CB 4.38Å; F97-A158 HydrophobicContact CB-CB 4.13Å; L98-A158 CarbonylContact O-C 3.59Å; L98-A158 WeakPolarHBondContact O-CA 3.39Å; A158-M229 HydrophobicContact CB-CE 3.47Å; A158-M229 VanDerWaalsContact CB-CE 3.47Å; A158-M229 HydrophobicContact CB-CG 4.25Å; A158-M229 HydrophobicContact CB-SD 3.74Å; A158-P230 PolarHBondContact N-O 2.83Å; A158-T231 HydrophobicContact CB-CG2 4.23Å; A158-T231 CarbonylContact O-C 3.58Å; A158-T231 WeakPolarHBondContact O-CA 3.49Å; A158-Q232 PolarHBondContact O-N 3.12Å
159	W	96.4	Very high	89.4	Confident	3 Å²	3	59.3 Å²	59.3	1%	0.011	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.7	173.8	174.4	51.8	0	0	0	110.3	F81 L98 P100 K102 A107 R161 Q232 I233 P235	F81-W159 WeakPolarHBondContact CD2-O 3.39Å; L98-W159 HydrophobicContact CB-CB 4.5Å; L98-W159 HydrophobicContact CB-CE3 4.12Å; L98-W159 WeakPolarHBondContact CB-O 3.4Å; L98-W159 HydrophobicContact CD1-CE3 3.99Å; L98-W159 HydrophobicContact CD1-CZ3 4.01Å; L98-W159 HydrophobicContact CD2-CE3 4.43Å; L98-W159 HydrophobicContact CG-CE3 4.43Å; L98-W159 PolarHBondContact O-N 3.29Å; P100-W159 HydrophobicContact CG-CB 4.18Å; K102-W159 VanDerWaalsContact O-CZ3 3.31Å; K102-W159 WeakPolarHBondContact O-CZ3 3.37Å; A107-W159 HydrophobicContact CB-CH2 3.71Å; A107-W159 HydrophobicContact CB-CZ2 3.85Å; W159-R161 HydrophobicContact CH2-CB 4.05Å; W159-R161 HydrophobicContact CZ2-CB 3.95Å; W159-R161 HydrophobicContact CZ2-CG 4.47Å; W159-Q232 WeakPolarHBondContact CA-O 3.22Å; W159-I233 PolarHBondContact NE1-O 3.01Å; W159-P235 HydrophobicContact CZ2-CB 4.07Å
160	K	94.6	Very high	89.4	Confident	11 Å²	11	54.9 Å²	54.9	5%	0.048	29%	0.286	C	S	.	.			trans	-100	114.4	170.7	-169.9	170	-171.8	-166.8	0	108.5	F81 A162 E168 T231 Q232 I233	F81-K160 HydrophobicContact CB-CG 4.1Å; F81-K160 HydrophobicContact CD1-CD 4.23Å; F81-K160 HydrophobicContact CD1-CG 4.37Å; F81-K160 HydrophobicContact CD2-CB 3.79Å; F81-K160 HydrophobicContact CD2-CG 3.99Å; F81-K160 HydrophobicContact CE2-CB 3.97Å; F81-K160 HydrophobicContact CG-CB 4.23Å; F81-K160 HydrophobicContact CG-CD 4.27Å; F81-K160 HydrophobicContact CG-CG 3.9Å; K160-A162 PolarHBondContact O-N 2.82Å; K160-E168 WeakPolarHBondContact CE-OE1 3.39Å; K160-E168 IonicContact NZ-OE1 3.96Å; K160-E168 PolarHBondContact NZ-OE1 2.85Å; K160-E168 IonicContact NZ-OE2 2.9Å; K160-E168 PolarHBondContact NZ-OE2 3.15Å; K160-T231 HydrophobicContact CB-CG2 3.82Å; K160-Q232 PolarHBondContact N-O 2.76Å; K160-I233 WeakPolarHBondContact O-CA 3.43Å
161	R	92.9	Very high	89.4	Confident	33 Å²	33	53 Å²	53	13%	0.125	27%	0.273	C	S	.	.			trans	-61	125.9	174.6	166.5	173.4	-61.5	-126.3	6.1	108.8	H80 D104 W159	H80-R161 HydrophobicContact CB-CB 4.28Å; H80-R161 HydrophobicContact CB-CG 4.43Å; D104-R161 IonicContact OD1-CZ 2.79Å; D104-R161 IonicContact OD1-NH1 3.66Å; D104-R161 PolarHBondContact OD1-NH1 3.2Å; D104-R161 IonicContact OD1-NH2 2.69Å; D104-R161 PolarHBondContact OD1-NH2 3.22Å; D104-R161 VanDerWaalsContact OD1-NH2 3.17Å; D104-R161 IonicContact OD2-CZ 2.64Å; D104-R161 IonicContact OD2-NH1 3.07Å; D104-R161 PolarHBondContact OD2-NH1 3.47Å; D104-R161 IonicContact OD2-NH2 3.12Å; D104-R161 PolarHBondContact OD2-NH2 3.36Å; W159-R161 HydrophobicContact CH2-CB 4.05Å; W159-R161 HydrophobicContact CZ2-CB 3.95Å; W159-R161 HydrophobicContact CZ2-CG 4.47Å
162	A	91.4	Very high	89.2	Confident	14 Å²	14	52.5 Å²	52.5	12%	0.116	27%	0.272	C	S	.	.			trans	-59	137.5	165	0	0	0	0	0	109.8	W111 K160 I233 Y600 F601	W111-A162 HydrophobicContact CZ2-CB 4.24Å; K160-A162 PolarHBondContact O-N 2.82Å; A162-I233 HydrophobicContact CB-CG2 3.89Å; A162-Y600 HydrophobicContact CB-CE1 4.27Å; A162-Y600 PolarHBondContact O-OH 3.47Å; A162-Y600 VanDerWaalsContact O-OH 3.06Å; A162-F601 HydrophobicContact CB-CE1 4.47Å
163	V	88.9	Confident	89	Confident	18 Å²	18	48.8 Å²	48.8	11%	0.109	26%	0.255	C	S	.	.			trans	-113.2	137.8	-176.8	178.7	0	0	0	0	109.5	V74 F79 H80 G165 V166	V74-V163 HydrophobicContact CB-CG1 4.45Å; V74-V163 HydrophobicContact CG1-CG1 4.13Å; F79-V163 HydrophobicContact CD1-CG1 4.32Å; F79-V163 HydrophobicContact CD1-CG2 4.02Å; F79-V163 HydrophobicContact CE1-CG1 3.87Å; F79-V163 HydrophobicContact CE1-CG2 4.15Å; H80-V163 HydrophobicContact CB-CG2 4.42Å; V163-G165 PolarHBondContact O-N 3.12Å; V163-V166 HydrophobicContact CB-CB 3.99Å; V163-V166 HydrophobicContact CB-CG2 3.81Å; V163-V166 HydrophobicContact CG1-CB 4.36Å; V163-V166 HydrophobicContact CG1-CG2 3.62Å; V163-V166 PolarHBondContact O-N 2.81Å; V163-V166 VanDerWaalsContact O-N 3.09Å
164	K	87.1	Confident	89	Confident	138 Å²	138	45 Å²	45	60%	0.6	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	126.2	-177.6	-176.8	179.2	179	-171.3	0	110.9	V166 Y600	K164-V166 VanDerWaalsContact C-N 3.27Å; K164-V166 PolarHBondContact O-N 2.82Å; K164-Y600 CarbonylContact C-O 3.59Å; K164-Y600 VanDerWaalsContact CA-O 3.26Å; K164-Y600 WeakPolarHBondContact CA-O 3.2Å; K164-Y600 HydrophobicContact CB-CD2 4.25Å; K164-Y600 HydrophobicContact CB-CE1 4.27Å; K164-Y600 HydrophobicContact CB-CE2 3.99Å; K164-Y600 HydrophobicContact CG-CD2 4.47Å
165	G	85	Confident	89	Confident	49 Å²	49	38 Å²	38	51%	0.505	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	14.9	179	0	0	0	0	0	114.7	V163 Y600 V602	V163-G165 PolarHBondContact O-N 3.12Å; G165-Y600 PolarHBondContact N-O 2.76Å; G165-V602 VanDerWaalsContact C-CG2 3.49Å; G165-V602 VanDerWaalsContact O-CG2 3.27Å; G165-V602 WeakPolarHBondContact O-CG2 3.37Å
166	V	85.6	Confident	89.1	Confident	36 Å²	36	35 Å²	35	22%	0.218	19%	0.185	C	C	.	.			trans	-114.3	135.5	177.5	-176.6	0	0	0	0	110.1	V74 V163 K164	V74-V166 HydrophobicContact CB-CG2 3.81Å; V74-V166 HydrophobicContact CG1-CG2 4.47Å; V74-V166 HydrophobicContact CG2-CG2 4.13Å; V163-V166 HydrophobicContact CB-CB 3.99Å; V163-V166 HydrophobicContact CB-CG2 3.81Å; V163-V166 HydrophobicContact CG1-CB 4.36Å; V163-V166 HydrophobicContact CG1-CG2 3.62Å; V163-V166 PolarHBondContact O-N 2.81Å; V163-V166 VanDerWaalsContact O-N 3.09Å; K164-V166 VanDerWaalsContact C-N 3.27Å; K164-V166 PolarHBondContact O-N 2.82Å
167	R	86.8	Confident	89.2	Confident	49 Å²	49	28.5 Å²	28.5	19%	0.185	16%	0.155	C	C	.	.			trans	-100	127.6	173.9	-166.3	-176.6	-164.5	168.5	21.8	109.7	M169 T176 E801 D802 K803	R167-M169 HydrophobicContact CB-CG 4.29Å; R167-M169 HydrophobicContact CG-CG 3.85Å; R167-M169 HydrophobicContact CG-SD 4.34Å; R167-T176 HydrophobicContact CG-CG2 4.31Å; R167-T176 PolarHBondContact NE-OG1 3.48Å; R167-T176 VanDerWaalsContact NE-OG1 3.14Å; R167-T176 PolarHBondContact NH2-OG1 2.91Å; R167-T176 VanDerWaalsContact NH2-OG1 3.12Å; R167-E801 IonicContact CZ-OE1 3.91Å; R167-E801 IonicContact NH1-OE1 3.08Å; R167-E801 PolarHBondContact NH1-OE1 3.13Å; R167-D802 PolarHBondContact NH1-O 2.8Å; R167-D802 PolarHBondContact NH2-O 3.35Å; R167-D802 IonicContact NH2-OD1 3.47Å; R167-K803 VanDerWaalsContact NH2-C 3.31Å; R167-K803 PolarHBondContact NH2-O 2.87Å
168	E	88.1	Confident	89.1	Confident	28 Å²	28	27.9 Å²	27.9	13%	0.131	15%	0.151	C	C	.	.			trans	-85.6	118.9	170.3	-69.5	-64.9	162.8	0	0	109.2	K160 I177 I233	K160-E168 WeakPolarHBondContact CE-OE1 3.39Å; K160-E168 IonicContact NZ-OE1 3.96Å; K160-E168 PolarHBondContact NZ-OE1 2.85Å; K160-E168 IonicContact NZ-OE2 2.9Å; K160-E168 PolarHBondContact NZ-OE2 3.15Å; E168-I177 HydrophobicContact CB-CB 4.2Å; E168-I177 PolarHBondContact O-N 2.74Å; E168-I233 HydrophobicContact CB-CD1 3.8Å; E168-I233 HydrophobicContact CG-CD1 3.86Å
169	M	88.9	Confident	89.1	Confident	65 Å²	65	27.8 Å²	27.8	32%	0.32	15%	0.149	S	C	.	.	B	Isolated β-bridge	trans	-122.9	152	-174.8	-54.6	-166.8	-52.5	0	0	111.1	R167 T175	R167-M169 HydrophobicContact CB-CG 4.29Å; R167-M169 HydrophobicContact CG-CG 3.85Å; R167-M169 HydrophobicContact CG-SD 4.34Å; M169-T175 WeakPolarHBondContact CA-O 3.27Å
170	C	90.8	Very high	89	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.15	C	C	.	.			trans	-82.2	119	176.8	179.4	0	0	0	0	111	V172 C173 D174 T175 I177 C192	C170-V172 PolarHBondContact O-N 3.47Å; C170-C173 PolarHBondContact O-N 3.05Å; C170-C173 VanDerWaalsContact SG-SG 3.69Å; C170-D174 VanDerWaalsContact O-CA 3.24Å; C170-D174 WeakPolarHBondContact O-CA 3.28Å; C170-D174 PolarHBondContact O-N 2.85Å; C170-T175 PolarHBondContact N-O 2.87Å; C170-I177 HydrophobicContact CB-CG1 4.38Å; C170-C192 HydrophobicContact CB-CB 4.04Å; C170-C192 PolarHBondContact SG-N 3.11Å
171	D	90.3	Very high	89.1	Confident	23 Å²	23	27.4 Å²	27.4	12%	0.123	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	33.5	-177.9	-61	-42.7	0	0	0	114.5	R77 F189 G190 I215	R77-D171 IonicContact CZ-OD1 3.98Å; R77-D171 IonicContact CZ-OD2 2.75Å; R77-D171 IonicContact NH1-OD1 2.67Å; R77-D171 PolarHBondContact NH1-OD1 2.79Å; R77-D171 IonicContact NH1-OD2 3.38Å; R77-D171 PolarHBondContact NH1-OD2 2.88Å; R77-D171 IonicContact NH2-OD1 3.82Å; R77-D171 PolarHBondContact NH2-OD1 3.05Å; R77-D171 IonicContact NH2-OD2 2.7Å; D171-F189 HydrophobicContact CB-CD2 3.49Å; D171-F189 VanDerWaalsContact CB-CD2 3.49Å; D171-F189 HydrophobicContact CB-CE2 3.57Å; D171-F189 VanDerWaalsContact OD2-CA 3.29Å; D171-F189 WeakPolarHBondContact OD2-CA 3.5Å; D171-G190 PolarHBondContact N-O 2.73Å; D171-G190 PolarHBondContact OD2-N 2.74Å; D171-I215 HydrophobicContact CB-CD1 4.4Å
172	V	87.1	Confident	89.3	Confident	15 Å²	15	26.1 Å²	26.1	9%	0.091	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-147.7	-37.6	-173.8	176.9	0	0	0	0	112.5	C170 F189 V191 C195 W214 Q795	C170-V172 PolarHBondContact O-N 3.47Å; V172-F189 HydrophobicContact CG2-CE2 4.01Å; V172-F189 HydrophobicContact CG2-CZ 3.83Å; V172-V191 HydrophobicContact CG2-CG1 3.64Å; V172-C195 HydrophobicContact CB-CB 4.37Å; V172-C195 HydrophobicContact CG1-CB 4.19Å; V172-W214 HydrophobicContact CG2-CD2 4.47Å; V172-W214 HydrophobicContact CG2-CG 4.16Å; V172-Q795 PolarHBondContact O-NE2 2.89Å
173	C	82.1	Confident	89.6	Confident	11 Å²	11	25.6 Å²	25.6	7%	0.074	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.9	10.6	178.1	64.3	0	0	0	0	112.3	C170 T175 C195	C170-C173 PolarHBondContact O-N 3.05Å; C170-C173 VanDerWaalsContact SG-SG 3.69Å; C173-T175 WeakPolarHBondContact O-CG2 3.48Å; C173-T175 PolarHBondContact O-N 3.42Å; C173-T175 PolarHBondContact SG-OG1 2.86Å; C173-C195 PolarHBondContact SG-SG 3.29Å
174	D	84.1	Confident	89.9	Confident	61 Å²	61	25 Å²	25	33%	0.326	14%	0.135	S	C	.	.			trans	54.5	3.2	175.3	-50.4	-58.1	0	0	0	116.9	C170 H800	C170-D174 VanDerWaalsContact O-CA 3.24Å; C170-D174 WeakPolarHBondContact O-CA 3.28Å; C170-D174 PolarHBondContact O-N 2.85Å; D174-H800 IonicContact OD2-CE1 2.86Å; D174-H800 PolarHBondContact OD2-CE1 2.96Å; D174-H800 IonicContact OD2-ND1 3.9Å
175	T	83.2	Confident	90.2	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.122	C	C	.	.			trans	-79.3	159.2	-178	64.3	0	0	0	0	114.5	M169 C170 C173 I177 R791 D802	M169-T175 WeakPolarHBondContact CA-O 3.27Å; C170-T175 PolarHBondContact N-O 2.87Å; C173-T175 WeakPolarHBondContact O-CG2 3.48Å; C173-T175 PolarHBondContact O-N 3.42Å; C173-T175 PolarHBondContact SG-OG1 2.86Å; T175-I177 PolarHBondContact O-N 3.2Å; T175-R791 HydrophobicContact CG2-CG 3.64Å; T175-R791 PolarHBondContact OG1-NH1 3.22Å; T175-R791 VanDerWaalsContact OG1-NH1 3.13Å; T175-R791 PolarHBondContact OG1-NH2 2.67Å; T175-D802 HydrophobicContact CG2-CB 3.57Å
176	T	87.5	Confident	90.6	Very high	13 Å²	13	24 Å²	24	8%	0.08	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-65.4	128.8	-175.7	-41.7	0	0	0	0	111.7	R167 F178 D802 Q805	R167-T176 HydrophobicContact CG-CG2 4.31Å; R167-T176 PolarHBondContact NE-OG1 3.48Å; R167-T176 VanDerWaalsContact NE-OG1 3.14Å; R167-T176 PolarHBondContact NH2-OG1 2.91Å; R167-T176 VanDerWaalsContact NH2-OG1 3.12Å; T176-F178 PolarHBondContact O-N 2.92Å; T176-D802 WeakPolarHBondContact CB-OD2 3.26Å; T176-D802 PolarHBondContact N-OD2 3.31Å; T176-D802 PolarHBondContact OG1-OD2 2.92Å; T176-Q805 HydrophobicContact CG2-CB 4.41Å; T176-Q805 HydrophobicContact CG2-CG 4.07Å
177	I	91.4	Very high	91	Very high	7 Å²	7	22.3 Å²	22.3	4%	0.036	11%	0.109	C	C	.	.			trans	-82.3	113.5	166.2	-63.5	174.1	0	0	0	107.9	E168 C170 T175 H181 C192 I233	E168-I177 HydrophobicContact CB-CB 4.2Å; E168-I177 PolarHBondContact O-N 2.74Å; C170-I177 HydrophobicContact CB-CG1 4.38Å; T175-I177 PolarHBondContact O-N 3.2Å; I177-H181 HydrophobicContact CD1-CB 3.96Å; I177-H181 HydrophobicContact CG1-CB 4.42Å; I177-H181 HydrophobicContact CG2-CB 3.58Å; I177-C192 HydrophobicContact CG1-CB 4.36Å; I177-I233 HydrophobicContact CB-CD1 4.3Å; I177-I233 HydrophobicContact CG2-CD1 3.73Å; I177-I233 WeakPolarHBondContact O-CD1 3.11Å
178	F	92.1	Very high	91.4	Very high	7 Å²	7	20.1 Å²	20.1	3%	0.031	10%	0.102	C	C	.	.			trans	-74.1	-54.3	177	168.6	-112.3	0	0	0	112.5	M140 E144 T176 I234 L239 K807 N808 Y811	M140-F178 HydrophobicContact CE-CE1 4.02Å; M140-F178 HydrophobicContact CE-CE2 4.13Å; M140-F178 HydrophobicContact CE-CZ 3.61Å; M140-F178 HydrophobicContact CG-CD1 4.38Å; M140-F178 HydrophobicContact CG-CE1 4.06Å; M140-F178 HydrophobicContact SD-CD1 4.07Å; M140-F178 HydrophobicContact SD-CD2 4.42Å; M140-F178 HydrophobicContact SD-CE1 3.76Å; M140-F178 HydrophobicContact SD-CE2 4.15Å; M140-F178 HydrophobicContact SD-CG 4.4Å; M140-F178 HydrophobicContact SD-CZ 3.81Å; E144-F178 HydrophobicContact CG-CD1 4.32Å; E144-F178 HydrophobicContact CG-CE1 4.27Å; T176-F178 PolarHBondContact O-N 2.92Å; F178-I234 HydrophobicContact CE1-CD1 4.08Å; F178-I234 HydrophobicContact CE2-CD1 4.2Å; F178-I234 HydrophobicContact CZ-CD1 3.67Å; F178-L239 HydrophobicContact CE1-CD1 3.97Å; F178-L239 HydrophobicContact CE1-CD2 4.23Å; F178-L239 HydrophobicContact CZ-CD1 3.92Å; F178-K807 HydrophobicContact CB-CB 3.73Å; F178-K807 HydrophobicContact CB-CD 3.46Å; F178-K807 VanDerWaalsContact CB-CD 3.46Å; F178-K807 HydrophobicContact CB-CG 4.24Å; F178-K807 HydrophobicContact CD1-CB 4.44Å; F178-K807 HydrophobicContact CD1-CD 4.11Å; F178-K807 HydrophobicContact CD2-CB 3.59Å; F178-K807 HydrophobicContact CE2-CB 4.35Å; F178-K807 HydrophobicContact CG-CB 3.65Å; F178-K807 HydrophobicContact CG-CD 3.82Å; F178-K807 HydrophobicContact CG-CG 4.37Å; F178-N808 VanDerWaalsContact CD2-OD1 3.31Å; F178-N808 WeakPolarHBondContact CD2-OD1 3.43Å; F178-Y811 HydrophobicContact CE2-CD2 4.14Å; F178-Y811 HydrophobicContact CE2-CG 4.09Å; F178-Y811 AromaticContact CZ-CD2 3.72Å; F178-Y811 HydrophobicContact CZ-CD2 3.72Å; F178-Y811 HydrophobicContact CZ-CG 4.15Å
179	N	95.6	Very high	91.7	Very high	2 Å²	2	18.9 Å²	18.9	1%	0.011	10%	0.096	C	C	.	.	S	Bend	trans	-149	-82.2	-175.9	175.1	58.6	0	0	0	112.4	E144 H181 Q232 I233 I234	E144-N179 VanDerWaalsContact OE2-CB 3.32Å; E144-N179 WeakPolarHBondContact OE2-CB 3.41Å; E144-N179 PolarHBondContact OE2-ND2 2.82Å; N179-H181 PolarHBondContact O-ND1 3.43Å; N179-Q232 WeakPolarHBondContact O-CA 3.26Å; N179-I233 PolarHBondContact O-N 2.93Å; N179-I233 PolarHBondContact OD1-N 2.72Å; N179-I234 HydrophobicContact CB-CD1 3.95Å; N179-I234 HydrophobicContact CB-CG1 4.02Å; N179-I234 VanDerWaalsContact OD1-CB 3.32Å; N179-I234 WeakPolarHBondContact OD1-CB 3.35Å; N179-I234 WeakPolarHBondContact OD1-CG1 3.37Å; N179-I234 PolarHBondContact OD1-N 2.86Å
180	L	96.3	Very high	92	Very high	4 Å²	4	16 Å²	16	2%	0.021	8%	0.083	C	C	.	.			trans	-76.9	133	-176	-167.6	69.2	0	0	0	111.7	E144 A147 M148 I151 W182 V193 Q232	E144-L180 VanDerWaalsContact OE2-CB 3.31Å; E144-L180 WeakPolarHBondContact OE2-CB 3.2Å; E144-L180 PolarHBondContact OE2-N 2.73Å; A147-L180 HydrophobicContact CB-CD2 3.6Å; M148-L180 HydrophobicContact CG-CD2 4Å; M148-L180 HydrophobicContact SD-CD1 3.54Å; M148-L180 VanDerWaalsContact SD-CD1 3.54Å; M148-L180 HydrophobicContact SD-CD2 3.92Å; M148-L180 HydrophobicContact SD-CG 4.34Å; I151-L180 HydrophobicContact CD1-CD1 4.2Å; I151-L180 HydrophobicContact CD1-CD2 4.22Å; L180-W182 HydrophobicContact CD2-CH2 4.01Å; L180-W182 HydrophobicContact CD2-CZ3 4.34Å; L180-W182 HydrophobicContact CG-CH2 4.4Å; L180-W182 HydrophobicContact CG-CZ3 4.34Å; L180-V193 HydrophobicContact CB-CG2 4.45Å; L180-V193 VanDerWaalsContact O-CG2 3.23Å; L180-V193 WeakPolarHBondContact O-CG2 3.36Å; L180-Q232 HydrophobicContact CD1-CB 4.37Å
181	H	96.4	Very high	92.1	Very high	2 Å²	2	16 Å²	16	1%	0.009	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.1	176.5	-179.5	59.9	-72.2	0	0	0	110.9	I177 N179 V183 V191 T231	I177-H181 HydrophobicContact CD1-CB 3.96Å; I177-H181 HydrophobicContact CG1-CB 4.42Å; I177-H181 HydrophobicContact CG2-CB 3.58Å; N179-H181 PolarHBondContact O-ND1 3.43Å; H181-V183 WeakPolarHBondContact CD2-CG2 3.42Å; H181-V183 WeakPolarHBondContact NE2-CG2 3.28Å; H181-V191 WeakPolarHBondContact CA-O 3.29Å; H181-V191 VanDerWaalsContact CB-O 3.31Å; H181-V191 WeakPolarHBondContact CB-O 3.41Å; H181-T231 PolarHBondContact N-O 3.45Å; H181-T231 PolarHBondContact ND1-O 3.37Å; H181-T231 PolarHBondContact O-N 2.81Å; H181-T231 VanDerWaalsContact O-O 3.08Å
182	W	96.6	Very high	92.2	Very high	6 Å²	6	15.3 Å²	15.3	2%	0.023	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	130.7	177.7	-80.8	-99.8	0	0	0	110.2	I151 L180 G190 V191 V193 Y196 L228 M229	I151-W182 HydrophobicContact CD1-CZ2 4.47Å; I151-W182 HydrophobicContact CG1-CZ2 4.06Å; L180-W182 HydrophobicContact CD2-CH2 4.01Å; L180-W182 HydrophobicContact CD2-CZ3 4.34Å; L180-W182 HydrophobicContact CG-CH2 4.4Å; L180-W182 HydrophobicContact CG-CZ3 4.34Å; W182-G190 WeakPolarHBondContact O-CA 3.46Å; W182-V191 HydrophobicContact CB-CG2 3.9Å; W182-V191 PolarHBondContact N-O 3.34Å; W182-V191 PolarHBondContact O-N 3.1Å; W182-V193 HydrophobicContact CZ3-CB 4.32Å; W182-V193 HydrophobicContact CZ3-CG1 4.25Å; W182-V193 HydrophobicContact CZ3-CG2 4.2Å; W182-Y196 HydrophobicContact CB-CD2 3.7Å; W182-Y196 HydrophobicContact CB-CE2 4.04Å; W182-Y196 HydrophobicContact CB-CG 4.35Å; W182-Y196 AromaticContact CD1-CD2 3.79Å; W182-Y196 AromaticContact CD1-CE2 3.31Å; W182-Y196 AromaticContact CD1-CZ 3.57Å; W182-Y196 AromaticContact CD2-CD1 3.74Å; W182-Y196 HydrophobicContact CD2-CD1 3.74Å; W182-Y196 AromaticContact CD2-CD2 3.69Å; W182-Y196 HydrophobicContact CD2-CD2 3.69Å; W182-Y196 AromaticContact CD2-CE1 3.98Å; W182-Y196 HydrophobicContact CD2-CE1 3.98Å; W182-Y196 AromaticContact CD2-CE2 3.91Å; W182-Y196 HydrophobicContact CD2-CE2 3.91Å; W182-Y196 AromaticContact CD2-CG 3.6Å; W182-Y196 HydrophobicContact CD2-CG 3.6Å; W182-Y196 AromaticContact CE2-CD1 3.73Å; W182-Y196 AromaticContact CE2-CE1 3.54Å; W182-Y196 AromaticContact CE2-CZ 3.7Å; W182-Y196 AromaticContact CE3-CD1 3.89Å; W182-Y196 HydrophobicContact CE3-CD1 3.89Å; W182-Y196 HydrophobicContact CE3-CD2 4.22Å; W182-Y196 AromaticContact CE3-CG 3.72Å; W182-Y196 HydrophobicContact CE3-CG 3.72Å; W182-Y196 HydrophobicContact CG-CD1 4.34Å; W182-Y196 AromaticContact CG-CD2 3.43Å; W182-Y196 HydrophobicContact CG-CD2 3.43Å; W182-Y196 VanDerWaalsContact CG-CD2 3.43Å; W182-Y196 HydrophobicContact CG-CE1 4.4Å; W182-Y196 AromaticContact CG-CE2 3.49Å; W182-Y196 HydrophobicContact CG-CE2 3.49Å; W182-Y196 VanDerWaalsContact CG-CE2 3.49Å; W182-Y196 AromaticContact CG-CG 3.89Å; W182-Y196 HydrophobicContact CG-CG 3.89Å; W182-Y196 HydrophobicContact CH2-CD1 4.11Å; W182-Y196 HydrophobicContact CH2-CE1 4.4Å; W182-Y196 AromaticContact CZ2-CD1 3.92Å; W182-Y196 HydrophobicContact CZ2-CD1 3.92Å; W182-Y196 AromaticContact CZ2-CE1 3.78Å; W182-Y196 HydrophobicContact CZ2-CE1 3.78Å; W182-Y196 HydrophobicContact CZ3-CD1 4.09Å; W182-Y196 HydrophobicContact CZ3-CG 4.32Å; W182-Y196 AromaticContact NE1-CE1 3.69Å; W182-Y196 AromaticContact NE1-CE2 3.63Å; W182-Y196 AromaticContact NE1-CZ 3.35Å; W182-Y196 VanDerWaalsContact NE1-CZ 3.35Å; W182-L228 HydrophobicContact CB-CB 3.86Å; W182-L228 HydrophobicContact CB-CD1 4.03Å; W182-L228 HydrophobicContact CG-CB 4.39Å; W182-M229 WeakPolarHBondContact CA-O 3.36Å
183	V	96.8	Very high	92.4	Very high	3 Å²	3	15 Å²	15	2%	0.018	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137.5	-176.2	-172.6	0	0	0	0	111.4	F81 H181 P185 F189 M229 T231	F81-V183 HydrophobicContact CE1-CB 4.4Å; F81-V183 HydrophobicContact CE1-CG1 3.97Å; F81-V183 HydrophobicContact CZ-CB 4.49Å; H181-V183 WeakPolarHBondContact CD2-CG2 3.42Å; H181-V183 WeakPolarHBondContact NE2-CG2 3.28Å; V183-P185 VanDerWaalsContact O-CD 3.31Å; V183-P185 WeakPolarHBondContact O-CD 3.18Å; V183-F189 CarbonylContact C-O 3.56Å; V183-F189 VanDerWaalsContact CA-O 3.31Å; V183-F189 WeakPolarHBondContact CA-O 3.34Å; V183-M229 PolarHBondContact N-O 2.91Å; V183-M229 PolarHBondContact O-N 3.31Å; V183-T231 HydrophobicContact CG2-CG2 4.28Å
184	C	95.9	Very high	92.7	Very high	6 Å²	6	17 Å²	17	4%	0.041	9%	0.088	C	C	.	.			trans	-74.4	113.3	171.7	178.3	0	0	0	0	110.4	R186 C187 G188 F189 H223 L228	C184-R186 PolarHBondContact O-N 3.44Å; C184-C187 PolarHBondContact O-N 2.84Å; C184-G188 PolarHBondContact O-N 2.93Å; C184-F189 HydrophobicContact CB-CB 3.96Å; C184-F189 HydrophobicContact CB-CD1 4.4Å; C184-F189 PolarHBondContact N-O 2.81Å; C184-H223 PolarHBondContact SG-CD2 2.94Å; C184-H223 PolarHBondContact SG-NE2 3.43Å; C184-H223 VanDerWaalsContact SG-NE2 3.38Å; C184-L228 HydrophobicContact CB-CD2 3.7Å
185	P	94.4	Very high	92.9	Very high	50 Å²	50	15.1 Å²	15.1	33%	0.325	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.9	-176.1	27.8	-35.8	0	0	0	113.6	F78 F97 V183	F78-P185 WeakPolarHBondContact CZ-O 3.32Å; F97-P185 HydrophobicContact CE2-CB 3.6Å; F97-P185 HydrophobicContact CZ-CB 3.78Å; V183-P185 VanDerWaalsContact O-CD 3.31Å; V183-P185 WeakPolarHBondContact O-CD 3.18Å
186	R	93.4	Very high	93.3	Very high	115 Å²	115	15.8 Å²	15.8	43%	0.434	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-25.1	-178.3	-69.4	172.3	57.8	-155.5	-5.9	114.4	C184 Q221	C184-R186 PolarHBondContact O-N 3.44Å; R186-Q221 VanDerWaalsContact CZ-OE1 3.26Å
187	C	93.4	Very high	93.4	Very high	2 Å²	2	19 Å²	19	1%	0.014	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	-138.5	-12.3	-174.6	75.1	0	0	0	0	115.1	C54 R55 C184 F189 V218 H223	C54-C187 CarbonylContact C-O 3.59Å; C54-C187 WeakPolarHBondContact CA-O 3.49Å; C54-C187 WeakPolarHBondContact CB-O 3.43Å; R55-C187 PolarHBondContact N-O 3.35Å; C184-C187 PolarHBondContact O-N 2.84Å; C187-F189 WeakPolarHBondContact SG-CB 3.42Å; C187-F189 PolarHBondContact SG-N 3.33Å; C187-F189 VanDerWaalsContact SG-N 3.42Å; C187-V218 HydrophobicContact CB-CG2 4.2Å; C187-H223 PolarHBondContact SG-NE2 3.29Å
188	G	94.3	Very high	93.1	Very high	3 Å²	3	22.9 Å²	22.9	3%	0.031	11%	0.112	C	C	.	.			trans	81.6	9	-178.7	0	0	0	0	0	115.5	C184 G190	C184-G188 PolarHBondContact O-N 2.93Å; G188-G190 PolarHBondContact O-N 2.77Å
189	F	94.8	Very high	92.7	Very high	1 Å²	1	24.8 Å²	24.8	0%	0.004	12%	0.12	C	C	.	.			trans	-57	123.8	169.5	167.4	-108.6	0	0	0	110.3	D171 V172 V183 C184 C187 V191 W214 I215 H223 L228	D171-F189 HydrophobicContact CB-CD2 3.49Å; D171-F189 VanDerWaalsContact CB-CD2 3.49Å; D171-F189 HydrophobicContact CB-CE2 3.57Å; D171-F189 VanDerWaalsContact OD2-CA 3.29Å; D171-F189 WeakPolarHBondContact OD2-CA 3.5Å; V172-F189 HydrophobicContact CG2-CE2 4.01Å; V172-F189 HydrophobicContact CG2-CZ 3.83Å; V183-F189 CarbonylContact C-O 3.56Å; V183-F189 VanDerWaalsContact CA-O 3.31Å; V183-F189 WeakPolarHBondContact CA-O 3.34Å; C184-F189 HydrophobicContact CB-CB 3.96Å; C184-F189 HydrophobicContact CB-CD1 4.4Å; C184-F189 PolarHBondContact N-O 2.81Å; C187-F189 WeakPolarHBondContact SG-CB 3.42Å; C187-F189 PolarHBondContact SG-N 3.33Å; C187-F189 VanDerWaalsContact SG-N 3.42Å; F189-V191 HydrophobicContact CD1-CG1 4.36Å; F189-V191 HydrophobicContact CE1-CG1 3.55Å; F189-V191 HydrophobicContact CE2-CG1 4Å; F189-V191 HydrophobicContact CZ-CG1 3.34Å; F189-W214 HydrophobicContact CE1-CD2 4.24Å; F189-W214 AromaticContact CE1-CE3 3.82Å; F189-W214 HydrophobicContact CE1-CE3 3.82Å; F189-W214 HydrophobicContact CE1-CZ3 4.15Å; F189-W214 HydrophobicContact CZ-CB 4.17Å; F189-W214 AromaticContact CZ-CD2 3.95Å; F189-W214 HydrophobicContact CZ-CD2 3.95Å; F189-W214 HydrophobicContact CZ-CE3 4.01Å; F189-W214 HydrophobicContact CZ-CG 4.09Å; F189-I215 HydrophobicContact CD2-CD1 3.85Å; F189-I215 HydrophobicContact CD2-CG1 3.62Å; F189-I215 HydrophobicContact CE2-CD1 4.23Å; F189-I215 HydrophobicContact CE2-CG1 3.59Å; F189-H223 HydrophobicContact CD1-CB 3.98Å; F189-H223 AromaticContact CD1-CD2 3.78Å; F189-H223 AromaticContact CD1-CE1 3.64Å; F189-H223 AromaticContact CD1-CG 3.48Å; F189-H223 VanDerWaalsContact CD1-CG 3.48Å; F189-H223 AromaticContact CD1-ND1 3.4Å; F189-H223 WeakPolarHBondContact CD1-ND1 3.34Å; F189-H223 AromaticContact CD1-NE2 3.9Å; F189-H223 HydrophobicContact CE1-CB 3.74Å; F189-H223 AromaticContact CE1-CG 3.71Å; F189-H223 AromaticContact CE1-ND1 3.67Å; F189-H223 AromaticContact CG-CE1 3.6Å; F189-H223 AromaticContact CG-ND1 3.73Å; F189-L228 HydrophobicContact CD1-CD2 4.37Å
190	G	95	Very high	92.2	Very high	6 Å²	6	29.1 Å²	29.1	6%	0.062	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	133.8	-174.7	0	0	0	0	0	112.8	D171 W182 G188	D171-G190 PolarHBondContact N-O 2.73Å; D171-G190 PolarHBondContact OD2-N 2.74Å; W182-G190 WeakPolarHBondContact O-CA 3.46Å; G188-G190 PolarHBondContact O-N 2.77Å
191	V	94	Very high	91.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	139.4	177.7	-60.8	0	0	0	0	112.5	V172 H181 W182 F189 C195 Y196 W214 L228	V172-V191 HydrophobicContact CG2-CG1 3.64Å; H181-V191 WeakPolarHBondContact CA-O 3.29Å; H181-V191 VanDerWaalsContact CB-O 3.31Å; H181-V191 WeakPolarHBondContact CB-O 3.41Å; W182-V191 HydrophobicContact CB-CG2 3.9Å; W182-V191 PolarHBondContact N-O 3.34Å; W182-V191 PolarHBondContact O-N 3.1Å; F189-V191 HydrophobicContact CD1-CG1 4.36Å; F189-V191 HydrophobicContact CE1-CG1 3.55Å; F189-V191 HydrophobicContact CE2-CG1 4Å; F189-V191 HydrophobicContact CZ-CG1 3.34Å; V191-C195 HydrophobicContact CB-CB 4.38Å; V191-Y196 HydrophobicContact CG2-CD2 4.26Å; V191-W214 HydrophobicContact CG1-CH2 4.33Å; V191-W214 HydrophobicContact CG1-CZ2 4.15Å; V191-W214 HydrophobicContact CG2-CH2 4.05Å; V191-W214 HydrophobicContact CG2-CZ2 4.36Å; V191-L228 HydrophobicContact CG2-CD1 3.8Å
192	C	92.5	Very high	90.5	Very high	7 Å²	7	36.4 Å²	36.4	5%	0.047	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	167.1	175.5	72.4	0	0	0	0	112	C170 I177 D194 C195 Y196	C170-C192 HydrophobicContact CB-CB 4.04Å; C170-C192 PolarHBondContact SG-N 3.11Å; I177-C192 HydrophobicContact CG1-CB 4.36Å; C192-D194 PolarHBondContact O-N 2.97Å; C192-C195 VanDerWaalsContact SG-SG 3.63Å; C192-Y196 WeakPolarHBondContact O-CB 3.27Å; C192-Y196 PolarHBondContact O-N 3.49Å
193	V	91.2	Very high	89	Confident	8 Å²	8	39.1 Å²	39.1	5%	0.048	19%	0.189	C	C	.	.	H	α-helix	trans	-50.6	-40.8	179.2	-171.4	0	0	0	0	112.5	A147 L180 W182 R197	A147-V193 HydrophobicContact CB-CG1 3.74Å; A147-V193 HydrophobicContact CB-CG2 4.37Å; L180-V193 HydrophobicContact CB-CG2 4.45Å; L180-V193 VanDerWaalsContact O-CG2 3.23Å; L180-V193 WeakPolarHBondContact O-CG2 3.36Å; W182-V193 HydrophobicContact CZ3-CB 4.32Å; W182-V193 HydrophobicContact CZ3-CG1 4.25Å; W182-V193 HydrophobicContact CZ3-CG2 4.2Å; V193-R197 HydrophobicContact CG1-CG 4.46Å; V193-R197 VanDerWaalsContact CG1-CZ 3.42Å; V193-R197 WeakPolarHBondContact O-CB 3.35Å; V193-R197 WeakPolarHBondContact O-CG 3.4Å; V193-R197 PolarHBondContact O-N 3.05Å
194	D	87.9	Confident	87.4	Confident	55 Å²	55	45.6 Å²	45.6	29%	0.294	22%	0.219	S	C	.	.	H	α-helix	trans	-81.6	-42.4	-168.6	-50.2	-56.8	0	0	0	111.7	C192 Y196 R197 M198	C192-D194 PolarHBondContact O-N 2.97Å; D194-Y196 VanDerWaalsContact C-N 3.31Å; D194-Y196 PolarHBondContact O-N 3.32Å; D194-R197 PolarHBondContact O-N 2.89Å; D194-R197 IonicContact OD1-NH1 3.75Å; D194-M198 WeakPolarHBondContact O-CB 3.22Å; D194-M198 PolarHBondContact O-N 3.38Å
195	C	88.5	Confident	85.7	Confident	20 Å²	20	52.2 Å²	52.2	14%	0.135	25%	0.249	C	C	.	.	H	α-helix	trans	-60.4	-40.6	169.2	-68	0	0	0	0	111.9	V172 C173 V191 C192 M198 K199	V172-C195 HydrophobicContact CB-CB 4.37Å; V172-C195 HydrophobicContact CG1-CB 4.19Å; C173-C195 PolarHBondContact SG-SG 3.29Å; V191-C195 HydrophobicContact CB-CB 4.38Å; C192-C195 VanDerWaalsContact SG-SG 3.63Å; C195-M198 PolarHBondContact O-N 3.35Å; C195-K199 PolarHBondContact O-N 3.34Å
196	Y	90.9	Very high	83.7	Confident	15 Å²	15	53.2 Å²	53.2	6%	0.059	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-49.8	175.8	-177	-96.7	0	0	0	112	W182 V191 C192 D194 M198 K199 R200 P225 L228	W182-Y196 HydrophobicContact CB-CD2 3.7Å; W182-Y196 HydrophobicContact CB-CE2 4.04Å; W182-Y196 HydrophobicContact CB-CG 4.35Å; W182-Y196 AromaticContact CD1-CD2 3.79Å; W182-Y196 AromaticContact CD1-CE2 3.31Å; W182-Y196 AromaticContact CD1-CZ 3.57Å; W182-Y196 AromaticContact CD2-CD1 3.74Å; W182-Y196 HydrophobicContact CD2-CD1 3.74Å; W182-Y196 AromaticContact CD2-CD2 3.69Å; W182-Y196 HydrophobicContact CD2-CD2 3.69Å; W182-Y196 AromaticContact CD2-CE1 3.98Å; W182-Y196 HydrophobicContact CD2-CE1 3.98Å; W182-Y196 AromaticContact CD2-CE2 3.91Å; W182-Y196 HydrophobicContact CD2-CE2 3.91Å; W182-Y196 AromaticContact CD2-CG 3.6Å; W182-Y196 HydrophobicContact CD2-CG 3.6Å; W182-Y196 AromaticContact CE2-CD1 3.73Å; W182-Y196 AromaticContact CE2-CE1 3.54Å; W182-Y196 AromaticContact CE2-CZ 3.7Å; W182-Y196 AromaticContact CE3-CD1 3.89Å; W182-Y196 HydrophobicContact CE3-CD1 3.89Å; W182-Y196 HydrophobicContact CE3-CD2 4.22Å; W182-Y196 AromaticContact CE3-CG 3.72Å; W182-Y196 HydrophobicContact CE3-CG 3.72Å; W182-Y196 HydrophobicContact CG-CD1 4.34Å; W182-Y196 AromaticContact CG-CD2 3.43Å; W182-Y196 HydrophobicContact CG-CD2 3.43Å; W182-Y196 VanDerWaalsContact CG-CD2 3.43Å; W182-Y196 HydrophobicContact CG-CE1 4.4Å; W182-Y196 AromaticContact CG-CE2 3.49Å; W182-Y196 HydrophobicContact CG-CE2 3.49Å; W182-Y196 VanDerWaalsContact CG-CE2 3.49Å; W182-Y196 AromaticContact CG-CG 3.89Å; W182-Y196 HydrophobicContact CG-CG 3.89Å; W182-Y196 HydrophobicContact CH2-CD1 4.11Å; W182-Y196 HydrophobicContact CH2-CE1 4.4Å; W182-Y196 AromaticContact CZ2-CD1 3.92Å; W182-Y196 HydrophobicContact CZ2-CD1 3.92Å; W182-Y196 AromaticContact CZ2-CE1 3.78Å; W182-Y196 HydrophobicContact CZ2-CE1 3.78Å; W182-Y196 HydrophobicContact CZ3-CD1 4.09Å; W182-Y196 HydrophobicContact CZ3-CG 4.32Å; W182-Y196 AromaticContact NE1-CE1 3.69Å; W182-Y196 AromaticContact NE1-CE2 3.63Å; W182-Y196 AromaticContact NE1-CZ 3.35Å; W182-Y196 VanDerWaalsContact NE1-CZ 3.35Å; V191-Y196 HydrophobicContact CG2-CD2 4.26Å; C192-Y196 WeakPolarHBondContact O-CB 3.27Å; C192-Y196 PolarHBondContact O-N 3.49Å; D194-Y196 VanDerWaalsContact C-N 3.31Å; D194-Y196 PolarHBondContact O-N 3.32Å; Y196-M198 VanDerWaalsContact C-N 3.34Å; Y196-M198 PolarHBondContact O-N 3.48Å; Y196-K199 PolarHBondContact O-N 3.05Å; Y196-R200 WeakPolarHBondContact O-CB 3.44Å; Y196-R200 PolarHBondContact O-N 3.14Å; Y196-P225 HydrophobicContact CD2-CB 4.26Å; Y196-P225 HydrophobicContact CE2-CB 3.56Å; Y196-P225 WeakPolarHBondContact CE2-O 3.25Å; Y196-P225 PolarHBondContact OH-O 3.05Å; Y196-L228 HydrophobicContact CD2-CD1 4.16Å; Y196-L228 HydrophobicContact CE2-CB 4.47Å; Y196-L228 HydrophobicContact CE2-CD1 4.29Å
197	R	88.9	Confident	81.4	Confident	79 Å²	79	50 Å²	50	30%	0.298	27%	0.266	S	S	.	.	H	α-helix	trans	-59	-42.9	175.9	-76.5	168.8	173	167.9	-6.7	111.9	V193 D194 K201	V193-R197 HydrophobicContact CG1-CG 4.46Å; V193-R197 VanDerWaalsContact CG1-CZ 3.42Å; V193-R197 WeakPolarHBondContact O-CB 3.35Å; V193-R197 WeakPolarHBondContact O-CG 3.4Å; V193-R197 PolarHBondContact O-N 3.05Å; D194-R197 PolarHBondContact O-N 2.89Å; D194-R197 IonicContact OD1-NH1 3.75Å; R197-K201 WeakPolarHBondContact O-CG 3.47Å; R197-K201 PolarHBondContact O-N 3.34Å
198	M	85	Confident	79.1	Confident	90 Å²	90	54.9 Å²	54.9	44%	0.443	31%	0.307	S	S	.	.	H	α-helix	trans	-61.1	-52.8	178.3	-173	66.8	80.4	0	0	111.4	D194 C195 Y196 R200 K201 N202	D194-M198 WeakPolarHBondContact O-CB 3.22Å; D194-M198 PolarHBondContact O-N 3.38Å; C195-M198 PolarHBondContact O-N 3.35Å; Y196-M198 VanDerWaalsContact C-N 3.34Å; Y196-M198 PolarHBondContact O-N 3.48Å; M198-R200 VanDerWaalsContact C-N 3.34Å; M198-R200 PolarHBondContact O-N 3.23Å; M198-K201 PolarHBondContact O-N 3.31Å; M198-N202 PolarHBondContact O-N 3.48Å; M198-N202 VanDerWaalsContact O-N 3.11Å; M198-N202 PolarHBondContact O-OD1 3.1Å
199	K	85.8	Confident	76.7	Confident	47 Å²	47	64.2 Å²	64.2	20%	0.204	34%	0.343	C	S	.	.	H	α-helix	trans	-59.6	-44	178.8	179.1	66.6	175.8	168.7	0	111.8	C195 Y196 K201 N202 C203 W214 P225	C195-K199 PolarHBondContact O-N 3.34Å; Y196-K199 PolarHBondContact O-N 3.05Å; K199-K201 PolarHBondContact O-N 3.09Å; K199-N202 PolarHBondContact O-N 2.77Å; K199-C203 PolarHBondContact O-N 2.93Å; K199-C203 PolarHBondContact O-SG 3.2Å; K199-C203 VanDerWaalsContact O-SG 3.33Å; K199-W214 HydrophobicContact CB-CH2 3.62Å; K199-W214 HydrophobicContact CB-CZ2 3.3Å; K199-W214 HydrophobicContact CB-CZ3 4.33Å; K199-W214 HydrophobicContact CD-CD2 4.31Å; K199-W214 HydrophobicContact CD-CE3 4.45Å; K199-W214 HydrophobicContact CG-CD2 4.18Å; K199-W214 HydrophobicContact CG-CE3 4.09Å; K199-W214 HydrophobicContact CG-CH2 3.62Å; K199-W214 HydrophobicContact CG-CZ2 3.68Å; K199-W214 HydrophobicContact CG-CZ3 3.82Å; K199-P225 HydrophobicContact CB-CG 4.32Å; K199-P225 HydrophobicContact CG-CG 3.68Å
200	R	84.4	Confident	74.4	Confident	92 Å²	92	74.5 Å²	74.5	35%	0.347	39%	0.387	S	S	.	.	H	α-helix	trans	-61.4	-41.6	178.1	-178.3	175	168.7	-178.3	-0.1	112.6	Y196 M198 Q204 P225	Y196-R200 WeakPolarHBondContact O-CB 3.44Å; Y196-R200 PolarHBondContact O-N 3.14Å; M198-R200 VanDerWaalsContact C-N 3.34Å; M198-R200 PolarHBondContact O-N 3.23Å; R200-Q204 WeakPolarHBondContact O-CG 3.31Å; R200-Q204 PolarHBondContact O-N 3.07Å; R200-P225 HydrophobicContact CB-CB 4.44Å; R200-P225 HydrophobicContact CB-CG 4.37Å
201	K	82	Confident	72.3	Confident	122 Å²	122	76.7 Å²	76.7	53%	0.53	40%	0.4	S	S	.	.	H	α-helix	trans	-60.4	-47.5	173.9	-77.2	178.4	175.2	-175.7	0	111.7	R197 M198 K199 C203 Q204 Q205	R197-K201 WeakPolarHBondContact O-CG 3.47Å; R197-K201 PolarHBondContact O-N 3.34Å; M198-K201 PolarHBondContact O-N 3.31Å; K199-K201 PolarHBondContact O-N 3.09Å; K201-C203 PolarHBondContact O-N 3.01Å; K201-Q204 WeakPolarHBondContact O-CB 3.36Å; K201-Q204 PolarHBondContact O-N 3.29Å; K201-Q205 PolarHBondContact O-N 3.31Å
202	N	74.8	Confident	70.6	Confident	37 Å²	37	82 Å²	82	20%	0.198	42%	0.423	C	S	.	.	H	α-helix	trans	-68.5	-36	-174.6	-62.9	9.8	0	0	0	111.5	M198 K199 Q204 Q205 G206 T211	M198-N202 PolarHBondContact O-N 3.48Å; M198-N202 VanDerWaalsContact O-N 3.11Å; M198-N202 PolarHBondContact O-OD1 3.1Å; K199-N202 PolarHBondContact O-N 2.77Å; N202-Q204 VanDerWaalsContact C-N 3.28Å; N202-Q204 PolarHBondContact O-N 3.23Å; N202-Q205 PolarHBondContact O-N 3.44Å; N202-G206 PolarHBondContact O-N 3.34Å; N202-T211 PolarHBondContact ND2-OG1 3.15Å
203	C	65.7	Low	69.5	Low	64 Å²	64	86.9 Å²	86.9	43%	0.432	46%	0.457	S	S	.	.	H	α-helix	trans	-64.1	-29.3	170.9	-65.7	0	0	0	0	113.3	K199 K201	K199-C203 PolarHBondContact O-N 2.93Å; K199-C203 PolarHBondContact O-SG 3.2Å; K199-C203 VanDerWaalsContact O-SG 3.33Å; K201-C203 PolarHBondContact O-N 3.01Å
204	Q	62.9	Low	69.3	Low	138 Å²	138	87.5 Å²	87.5	65%	0.645	46%	0.459	S	S	*	.	H	α-helix	trans	-82.6	-25.3	178.5	-73	178.9	-27.8	0	0	113.9	R200 K201 N202	R200-Q204 WeakPolarHBondContact O-CG 3.31Å; R200-Q204 PolarHBondContact O-N 3.07Å; K201-Q204 WeakPolarHBondContact O-CB 3.36Å; K201-Q204 PolarHBondContact O-N 3.29Å; N202-Q204 VanDerWaalsContact C-N 3.28Å; N202-Q204 PolarHBondContact O-N 3.23Å
205	Q	59.9	Low	69.2	Low	146 Å²	146	87.8 Å²	87.8	68%	0.682	46%	0.46	S	S	*	.	H	α-helix	trans	-98.1	-7.6	-174.9	-69.5	-177.5	-22	0	0	114.2	K201 N202 A207	K201-Q205 PolarHBondContact O-N 3.31Å; N202-Q205 PolarHBondContact O-N 3.44Å; Q205-A207 PolarHBondContact O-N 3.22Å
206	G	51.7	Low	69.1	Low	70 Å²	70	93.8 Å²	93.8	72%	0.722	48%	0.48	S	S	*	.			trans	65.5	3.3	179.9	0	0	0	0	0	115.1	N202 A208	N202-G206 PolarHBondContact O-N 3.34Å; G206-A208 PolarHBondContact O-N 3.17Å
207	A	46.6	Very low	69	Low	48 Å²	48	93.5 Å²	93.5	40%	0.397	48%	0.479	S	S	.	.			trans	-76.6	112.8	-172.7	0	0	0	0	0	111.6	Q205 Y209	Q205-A207 PolarHBondContact O-N 3.22Å; A207-Y209 PolarHBondContact O-N 3.02Å
208	A	43.3	Very low	68.8	Low	105 Å²	105	91.8 Å²	91.8	87%	0.868	48%	0.478	S	S	*	.			trans	-76.3	42.5	179.1	0	0	0	0	0	113.9	G206	G206-A208 PolarHBondContact O-N 3.17Å
209	Y	44.6	Very low	68.7	Low	199 Å²	199	96.3 Å²	96.3	78%	0.78	50%	0.495	S	S	*	.			trans	-63.8	142.5	164.5	-94.4	-93	0	0	0	109.7	A207 T211	A207-Y209 PolarHBondContact O-N 3.02Å; Y209-T211 PolarHBondContact O-N 3.12Å; Y209-T211 PolarHBondContact O-OG1 3.01Å
210	K	45.8	Very low	68.6	Low	216 Å²	216	98 Å²	98	94%	0.939	51%	0.513	S	S	*	.			trans	-66.5	66.1	177.8	-68.1	-178.4	-179.8	175.2	0	111.8
211	T	52.1	Low	68.7	Low	53 Å²	53	98 Å²	98	33%	0.325	52%	0.516	S	S	.	.			trans	-70.5	137.8	177.5	-47	0	0	0	0	108.8	N202 Y209 S213	N202-T211 PolarHBondContact ND2-OG1 3.15Å; Y209-T211 PolarHBondContact O-N 3.12Å; Y209-T211 PolarHBondContact O-OG1 3.01Å; T211-S213 PolarHBondContact O-N 2.79Å; T211-S213 VanDerWaalsContact O-N 3.09Å
212	F	57.9	Low	69	Low	111 Å²	111	96.4 Å²	96.4	49%	0.487	51%	0.513	S	S	.	.			trans	-41	116.1	177.2	-61.3	-82.7	0	0	0	112.2	W214 Q795	F212-W214 PolarHBondContact O-N 3.18Å; F212-Q795 HydrophobicContact CD1-CG 4.27Å; F212-Q795 HydrophobicContact CE1-CG 3.93Å
213	S	68.7	Low	69.8	Low	110 Å²	110	94.9 Å²	94.9	77%	0.769	51%	0.505	S	S	*	.			trans	-71.9	98.4	-174.1	173.1	0	0	0	0	110.5	T211 I215	T211-S213 PolarHBondContact O-N 2.79Å; T211-S213 VanDerWaalsContact O-N 3.09Å; S213-I215 PolarHBondContact O-N 3.02Å
214	W	86.8	Confident	71	Confident	20 Å²	20	94.8 Å²	94.8	8%	0.076	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-47	132.3	174	-74	12.5	0	0	0	111.9	V172 F189 V191 K199 F212 H223 L228	V172-W214 HydrophobicContact CG2-CD2 4.47Å; V172-W214 HydrophobicContact CG2-CG 4.16Å; F189-W214 HydrophobicContact CE1-CD2 4.24Å; F189-W214 AromaticContact CE1-CE3 3.82Å; F189-W214 HydrophobicContact CE1-CE3 3.82Å; F189-W214 HydrophobicContact CE1-CZ3 4.15Å; F189-W214 HydrophobicContact CZ-CB 4.17Å; F189-W214 AromaticContact CZ-CD2 3.95Å; F189-W214 HydrophobicContact CZ-CD2 3.95Å; F189-W214 HydrophobicContact CZ-CE3 4.01Å; F189-W214 HydrophobicContact CZ-CG 4.09Å; V191-W214 HydrophobicContact CG1-CH2 4.33Å; V191-W214 HydrophobicContact CG1-CZ2 4.15Å; V191-W214 HydrophobicContact CG2-CH2 4.05Å; V191-W214 HydrophobicContact CG2-CZ2 4.36Å; K199-W214 HydrophobicContact CB-CH2 3.62Å; K199-W214 HydrophobicContact CB-CZ2 3.3Å; K199-W214 HydrophobicContact CB-CZ3 4.33Å; K199-W214 HydrophobicContact CD-CD2 4.31Å; K199-W214 HydrophobicContact CD-CE3 4.45Å; K199-W214 HydrophobicContact CG-CD2 4.18Å; K199-W214 HydrophobicContact CG-CE3 4.09Å; K199-W214 HydrophobicContact CG-CH2 3.62Å; K199-W214 HydrophobicContact CG-CZ2 3.68Å; K199-W214 HydrophobicContact CG-CZ3 3.82Å; F212-W214 PolarHBondContact O-N 3.18Å; W214-H223 HydrophobicContact CE3-CB 3.87Å; W214-H223 HydrophobicContact CZ3-CB 4.32Å; W214-H223 WeakPolarHBondContact CZ3-O 3.44Å; W214-L228 HydrophobicContact CH2-CD1 4.09Å; W214-L228 HydrophobicContact CZ3-CD1 3.85Å
215	I	85.9	Confident	72.2	Confident	61 Å²	61	88.2 Å²	88.2	31%	0.313	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-60.3	147	-178.5	56.5	163.5	0	0	0	112	D171 F189 S213 H223	D171-I215 HydrophobicContact CB-CD1 4.4Å; F189-I215 HydrophobicContact CD2-CD1 3.85Å; F189-I215 HydrophobicContact CD2-CG1 3.62Å; F189-I215 HydrophobicContact CE2-CD1 4.23Å; F189-I215 HydrophobicContact CE2-CG1 3.59Å; S213-I215 PolarHBondContact O-N 3.02Å; I215-H223 PolarHBondContact O-CE1 2.7Å; I215-H223 PolarHBondContact O-ND1 3.05Å
216	R	87.4	Confident	73.6	Confident	147 Å²	147	85.8 Å²	85.8	56%	0.555	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-78.6	146	-171.9	-66.7	176.6	179.4	-86.7	-2.1	113.2	S220	R216-S220 WeakPolarHBondContact CD-O 3.49Å; R216-S220 PolarHBondContact NH1-O 3.4Å
217	C	89.6	Confident	75.5	Confident	8 Å²	8	88.1 Å²	88.1	5%	0.054	45%	0.452	C	S	.	.			trans	-75	-174.6	176.4	-164.5	0	0	0	0	112.1	S220 Q221 H223	C217-S220 PolarHBondContact O-N 2.58Å; C217-Q221 HydrophobicContact CB-CB 4.29Å; C217-Q221 VanDerWaalsContact CB-O 3.3Å; C217-Q221 WeakPolarHBondContact CB-O 3.09Å; C217-Q221 PolarHBondContact N-O 2.83Å; C217-H223 WeakPolarHBondContact CB-NE2 3.17Å
218	V	83.4	Confident	77.8	Confident	43 Å²	43	85.9 Å²	85.9	26%	0.261	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-56.8	138	167.7	-171.1	0	0	0	0	110	C187 S220	C187-V218 HydrophobicContact CB-CG2 4.2Å; V218-S220 VanDerWaalsContact C-N 3.29Å; V218-S220 PolarHBondContact O-N 2.68Å
219	K	83.5	Confident	80.3	Confident	186 Å²	186	82.5 Å²	82.5	81%	0.809	40%	0.4	S	S	*	.	G	3₁₀ helix	trans	58.1	33.7	-171.3	-59.5	-175.4	177.2	-173.2	0	114.1	Q221	K219-Q221 PolarHBondContact O-N 3.27Å
220	S	83	Confident	82.8	Confident	83 Å²	83	73.2 Å²	73.2	58%	0.58	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	60.6	11.2	174.4	-56.1	0	0	0	0	116.4	R216 C217 V218	R216-S220 WeakPolarHBondContact CD-O 3.49Å; R216-S220 PolarHBondContact NH1-O 3.4Å; C217-S220 PolarHBondContact O-N 2.58Å; V218-S220 VanDerWaalsContact C-N 3.29Å; V218-S220 PolarHBondContact O-N 2.68Å
221	Q	86.9	Confident	85.2	Confident	90 Å²	90	62.9 Å²	62.9	42%	0.421	32%	0.319	S	S	.	.			trans	-66.3	150.9	179	-64.3	-177.5	-52.7	0	0	111.4	R186 C217 K219	R186-Q221 VanDerWaalsContact CZ-OE1 3.26Å; C217-Q221 HydrophobicContact CB-CB 4.29Å; C217-Q221 VanDerWaalsContact CB-O 3.3Å; C217-Q221 WeakPolarHBondContact CB-O 3.09Å; C217-Q221 PolarHBondContact N-O 2.83Å; K219-Q221 PolarHBondContact O-N 3.27Å
222	I	89.1	Confident	87.3	Confident	89 Å²	89	60.9 Å²	60.9	46%	0.456	31%	0.306	S	S	.	.			trans	-79.5	150.8	176.8	-57.6	173.3	0	0	0	109.2	E224	I222-E224 WeakPolarHBondContact CB-OE1 3.44Å; I222-E224 WeakPolarHBondContact CG2-OE1 3.32Å
223	H	91.4	Very high	89.1	Confident	6 Å²	6	55.9 Å²	55.9	3%	0.028	28%	0.284	C	S	.	.			trans	-87.8	102.5	170.3	-69.5	117.2	0	0	0	109.3	C184 C187 F189 W214 I215 C217 L228	C184-H223 PolarHBondContact SG-CD2 2.94Å; C184-H223 PolarHBondContact SG-NE2 3.43Å; C184-H223 VanDerWaalsContact SG-NE2 3.38Å; C187-H223 PolarHBondContact SG-NE2 3.29Å; F189-H223 HydrophobicContact CD1-CB 3.98Å; F189-H223 AromaticContact CD1-CD2 3.78Å; F189-H223 AromaticContact CD1-CE1 3.64Å; F189-H223 AromaticContact CD1-CG 3.48Å; F189-H223 VanDerWaalsContact CD1-CG 3.48Å; F189-H223 AromaticContact CD1-ND1 3.4Å; F189-H223 WeakPolarHBondContact CD1-ND1 3.34Å; F189-H223 AromaticContact CD1-NE2 3.9Å; F189-H223 HydrophobicContact CE1-CB 3.74Å; F189-H223 AromaticContact CE1-CG 3.71Å; F189-H223 AromaticContact CE1-ND1 3.67Å; F189-H223 AromaticContact CG-CE1 3.6Å; F189-H223 AromaticContact CG-ND1 3.73Å; W214-H223 HydrophobicContact CE3-CB 3.87Å; W214-H223 HydrophobicContact CZ3-CB 4.32Å; W214-H223 WeakPolarHBondContact CZ3-O 3.44Å; I215-H223 PolarHBondContact O-CE1 2.7Å; I215-H223 PolarHBondContact O-ND1 3.05Å; C217-H223 WeakPolarHBondContact CB-NE2 3.17Å; H223-L228 HydrophobicContact CB-CD2 4.46Å
224	E	89.8	Confident	90.4	Very high	61 Å²	61	50.8 Å²	50.8	29%	0.285	25%	0.248	S	C	.	.			trans	-86.3	140.5	171.8	-53	-50	150.9	0	0	110.9	I222 E226 N227	I222-E224 WeakPolarHBondContact CB-OE1 3.44Å; I222-E224 WeakPolarHBondContact CG2-OE1 3.32Å; E224-E226 PolarHBondContact O-N 3.4Å; E224-E226 VanDerWaalsContact O-N 3.13Å; E224-N227 PolarHBondContact O-N 3.21Å
225	P	89.9	Confident	90.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-51.3	-37.5	-177.3	-28.6	36	0	0	0	114.2	Y196 K199 R200 N227 L228	Y196-P225 HydrophobicContact CD2-CB 4.26Å; Y196-P225 HydrophobicContact CE2-CB 3.56Å; Y196-P225 WeakPolarHBondContact CE2-O 3.25Å; Y196-P225 PolarHBondContact OH-O 3.05Å; K199-P225 HydrophobicContact CB-CG 4.32Å; K199-P225 HydrophobicContact CG-CG 3.68Å; R200-P225 HydrophobicContact CB-CB 4.44Å; R200-P225 HydrophobicContact CB-CG 4.37Å; P225-N227 PolarHBondContact O-N 3.24Å; P225-L228 PolarHBondContact O-N 3.12Å; P225-L228 VanDerWaalsContact O-N 3.14Å
226	E	88.4	Confident	91.2	Very high	96 Å²	96	47.3 Å²	47.3	45%	0.449	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-67.1	-26.5	-176.5	-60.8	64.6	-138.2	0	0	112	R155 E224	R155-E226 PolarHBondContact NH1-O 2.71Å; R155-E226 PolarHBondContact NH2-O 3.01Å; E224-E226 PolarHBondContact O-N 3.4Å; E224-E226 VanDerWaalsContact O-N 3.13Å
227	N	91.4	Very high	91.4	Very high	118 Å²	118	47.2 Å²	47.2	63%	0.631	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-89.3	-0.7	178.9	-72	-67.1	0	0	0	113.4	E224 P225	E224-N227 PolarHBondContact O-N 3.21Å; P225-N227 PolarHBondContact O-N 3.24Å
228	L	94.6	Very high	91.7	Very high	2 Å²	2	46.8 Å²	46.8	1%	0.01	24%	0.235	C	C	.	.	S	Bend	trans	-92.1	142	175.1	-54.2	-178.3	0	0	0	111.2	R155 W182 C184 F189 V191 Y196 W214 H223 P225	R155-L228 PolarHBondContact NH1-O 3.29Å; W182-L228 HydrophobicContact CB-CB 3.86Å; W182-L228 HydrophobicContact CB-CD1 4.03Å; W182-L228 HydrophobicContact CG-CB 4.39Å; C184-L228 HydrophobicContact CB-CD2 3.7Å; F189-L228 HydrophobicContact CD1-CD2 4.37Å; V191-L228 HydrophobicContact CG2-CD1 3.8Å; Y196-L228 HydrophobicContact CD2-CD1 4.16Å; Y196-L228 HydrophobicContact CE2-CB 4.47Å; Y196-L228 HydrophobicContact CE2-CD1 4.29Å; W214-L228 HydrophobicContact CH2-CD1 4.09Å; W214-L228 HydrophobicContact CZ3-CD1 3.85Å; H223-L228 HydrophobicContact CB-CD2 4.46Å; P225-L228 PolarHBondContact O-N 3.12Å; P225-L228 VanDerWaalsContact O-N 3.14Å
229	M	95.5	Very high	92.3	Very high	34 Å²	34	44.9 Å²	44.9	17%	0.167	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	124	-179.6	-177.7	-180	64.2	0	0	109.9	F81 F97 A158 W182 V183 T231	F81-M229 HydrophobicContact CE1-CE 4.37Å; F81-M229 HydrophobicContact CE2-CE 4.25Å; F81-M229 HydrophobicContact CZ-CE 3.56Å; F97-M229 HydrophobicContact CB-CE 4.09Å; F97-M229 HydrophobicContact CB-SD 4.43Å; F97-M229 HydrophobicContact CD1-CE 4.02Å; F97-M229 HydrophobicContact CD2-CE 3.59Å; F97-M229 HydrophobicContact CD2-SD 3.65Å; F97-M229 HydrophobicContact CE1-CE 4.4Å; F97-M229 HydrophobicContact CE2-CE 4.02Å; F97-M229 HydrophobicContact CE2-SD 4.21Å; F97-M229 HydrophobicContact CG-CE 3.61Å; F97-M229 HydrophobicContact CG-SD 4.14Å; F97-M229 HydrophobicContact CZ-CE 4.41Å; A158-M229 HydrophobicContact CB-CE 3.47Å; A158-M229 VanDerWaalsContact CB-CE 3.47Å; A158-M229 HydrophobicContact CB-CG 4.25Å; A158-M229 HydrophobicContact CB-SD 3.74Å; W182-M229 WeakPolarHBondContact CA-O 3.36Å; V183-M229 PolarHBondContact N-O 2.91Å; V183-M229 PolarHBondContact O-N 3.31Å; M229-T231 PolarHBondContact O-N 2.98Å; M229-T231 PolarHBondContact O-OG1 2.78Å; M229-T231 VanDerWaalsContact O-OG1 3.09Å
230	P	96.8	Very high	92.8	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.019	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	133.2	174.1	27.1	-32.7	0	0	0	109.8	I151 R155 V157 A158	I151-P230 HydrophobicContact CD1-CB 3.6Å; I151-P230 HydrophobicContact CD1-CG 4.28Å; I151-P230 HydrophobicContact CG1-CB 4.14Å; I151-P230 HydrophobicContact CG2-CB 4.42Å; I151-P230 HydrophobicContact CG2-CG 3.96Å; R155-P230 HydrophobicContact CB-CG 4.42Å; V157-P230 WeakPolarHBondContact CA-O 3.41Å; V157-P230 HydrophobicContact CG2-CB 4.25Å; V157-P230 HydrophobicContact CG2-CG 4.18Å; A158-P230 PolarHBondContact N-O 2.83Å
231	T	97.2	Very high	93.3	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	138.8	-171.7	-53.7	0	0	0	0	109.6	F81 A158 K160 H181 V183 M229	F81-T231 HydrophobicContact CE2-CG2 3.68Å; F81-T231 HydrophobicContact CZ-CG2 3.7Å; A158-T231 HydrophobicContact CB-CG2 4.23Å; A158-T231 CarbonylContact O-C 3.58Å; A158-T231 WeakPolarHBondContact O-CA 3.49Å; K160-T231 HydrophobicContact CB-CG2 3.82Å; H181-T231 PolarHBondContact N-O 3.45Å; H181-T231 PolarHBondContact ND1-O 3.37Å; H181-T231 PolarHBondContact O-N 2.81Å; H181-T231 VanDerWaalsContact O-O 3.08Å; V183-T231 HydrophobicContact CG2-CG2 4.28Å; M229-T231 PolarHBondContact O-N 2.98Å; M229-T231 PolarHBondContact O-OG1 2.78Å; M229-T231 VanDerWaalsContact O-OG1 3.09Å
232	Q	96.3	Very high	93.7	Very high	10 Å²	10	32.7 Å²	32.7	5%	0.047	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	153.3	174.2	67.9	-178.1	71.1	0	0	111.3	P100 V157 A158 W159 K160 N179 L180 I234 G236	P100-Q232 HydrophobicContact CB-CG 4.42Å; P100-Q232 HydrophobicContact CG-CG 3.85Å; V157-Q232 HydrophobicContact CG1-CB 4.38Å; V157-Q232 HydrophobicContact CG1-CG 4.12Å; A158-Q232 PolarHBondContact O-N 3.12Å; W159-Q232 WeakPolarHBondContact CA-O 3.22Å; K160-Q232 PolarHBondContact N-O 2.76Å; N179-Q232 WeakPolarHBondContact O-CA 3.26Å; L180-Q232 HydrophobicContact CD1-CB 4.37Å; Q232-I234 PolarHBondContact NE2-O 2.75Å; Q232-G236 PolarHBondContact NE2-O 2.85Å; Q232-G236 VanDerWaalsContact NE2-O 3.09Å
233	I	95.9	Very high	93.9	Very high	7 Å²	7	28.5 Å²	28.5	4%	0.036	14%	0.14	C	C	.	.	S	Bend	trans	-96.2	-38.7	178.2	-59.6	176.6	0	0	0	111.1	W111 W159 K160 A162 E168 I177 N179	W111-I233 HydrophobicContact CH2-CG2 4.33Å; W111-I233 HydrophobicContact CZ2-CG2 4Å; W159-I233 PolarHBondContact NE1-O 3.01Å; K160-I233 WeakPolarHBondContact O-CA 3.43Å; A162-I233 HydrophobicContact CB-CG2 3.89Å; E168-I233 HydrophobicContact CB-CD1 3.8Å; E168-I233 HydrophobicContact CG-CD1 3.86Å; I177-I233 HydrophobicContact CB-CD1 4.3Å; I177-I233 HydrophobicContact CG2-CD1 3.73Å; I177-I233 WeakPolarHBondContact O-CD1 3.11Å; N179-I233 PolarHBondContact O-N 2.93Å; N179-I233 PolarHBondContact OD1-N 2.72Å
234	I	95.9	Very high	94	Very high	2 Å²	2	32.2 Å²	32.2	1%	0.01	16%	0.16	C	C	.	.	S	Bend	trans	-74.9	127.4	180	-57.2	-178.8	0	0	0	108.4	W111 F178 N179 Q232 A238 L239 Y811	W111-I234 HydrophobicContact CB-CG2 4.27Å; W111-I234 HydrophobicContact CD2-CB 4.39Å; W111-I234 HydrophobicContact CD2-CG1 3.95Å; W111-I234 HydrophobicContact CD2-CG2 4.08Å; W111-I234 HydrophobicContact CE3-CD1 3.83Å; W111-I234 HydrophobicContact CE3-CG1 3.64Å; W111-I234 HydrophobicContact CE3-CG2 4.33Å; W111-I234 HydrophobicContact CG-CG2 4.05Å; W111-I234 HydrophobicContact CH2-CG1 3.88Å; W111-I234 HydrophobicContact CZ2-CG1 4.17Å; W111-I234 HydrophobicContact CZ3-CD1 3.82Å; W111-I234 HydrophobicContact CZ3-CG1 3.62Å; F178-I234 HydrophobicContact CE1-CD1 4.08Å; F178-I234 HydrophobicContact CE2-CD1 4.2Å; F178-I234 HydrophobicContact CZ-CD1 3.67Å; N179-I234 HydrophobicContact CB-CD1 3.95Å; N179-I234 HydrophobicContact CB-CG1 4.02Å; N179-I234 VanDerWaalsContact OD1-CB 3.32Å; N179-I234 WeakPolarHBondContact OD1-CB 3.35Å; N179-I234 WeakPolarHBondContact OD1-CG1 3.37Å; N179-I234 PolarHBondContact OD1-N 2.86Å; Q232-I234 PolarHBondContact NE2-O 2.75Å; I234-A238 HydrophobicContact CG2-CB 3.86Å; I234-L239 HydrophobicContact CD1-CB 3.98Å; I234-L239 HydrophobicContact CD1-CD1 4.09Å; I234-L239 HydrophobicContact CD1-CD2 4.39Å; I234-L239 HydrophobicContact CD1-CG 4.38Å; I234-L239 HydrophobicContact CG2-CB 4.21Å; I234-Y811 HydrophobicContact CD1-CE2 4.22Å
235	P	95	Very high	94.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.156	C	C	.	.			trans	-70.8	146.5	-178.7	26	-31.6	0	0	0	112.8	Y103 I108 W159 K237 A238	Y103-P235 HydrophobicContact CD1-CB 3.62Å; Y103-P235 HydrophobicContact CE1-CB 4.21Å; Y103-P235 HydrophobicContact CG-CB 3.8Å; I108-P235 HydrophobicContact CB-CG 4.37Å; I108-P235 HydrophobicContact CD1-CB 4.31Å; I108-P235 HydrophobicContact CD1-CG 3.8Å; W159-P235 HydrophobicContact CZ2-CB 4.07Å; P235-K237 PolarHBondContact O-N 2.89Å; P235-A238 PolarHBondContact O-N 3.11Å
236	G	93.4	Very high	94.4	Very high	9 Å²	9	31.2 Å²	31.2	9%	0.093	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	-122.4	174.7	0	0	0	0	0	113.5	P100 Q232	P100-G236 WeakPolarHBondContact O-CA 3.22Å; P100-G236 PolarHBondContact O-N 3.42Å; Q232-G236 PolarHBondContact NE2-O 2.85Å; Q232-G236 VanDerWaalsContact NE2-O 3.09Å
237	K	93.4	Very high	94.6	Very high	144 Å²	144	27.2 Å²	27.2	63%	0.626	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-111.6	7.7	179.1	-65.6	-176.9	-179.8	-179.9	0	113.1	P235 L239 Y240 D241	P235-K237 PolarHBondContact O-N 2.89Å; K237-L239 PolarHBondContact O-N 3.19Å; K237-Y240 HydrophobicContact CB-CD2 4.37Å; K237-Y240 WeakPolarHBondContact O-CA 3.33Å; K237-Y240 WeakPolarHBondContact O-CB 3.47Å; K237-Y240 PolarHBondContact O-N 3.07Å; K237-D241 WeakPolarHBondContact CB-OD1 3.48Å; K237-D241 WeakPolarHBondContact CB-OD2 3.38Å; K237-D241 VanDerWaalsContact O-CG 3.3Å; K237-D241 PolarHBondContact O-N 3.01Å
238	A	95.4	Very high	94.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-54.9	-33.7	-165.2	0	0	0	0	0	114.7	I108 W111 L112 I234 P235 Y240 D241 V242	I108-A238 HydrophobicContact CD1-CB 3.78Å; W111-A238 HydrophobicContact CB-CB 4.16Å; L112-A238 HydrophobicContact CD2-CB 3.74Å; L112-A238 HydrophobicContact CG-CB 4.31Å; I234-A238 HydrophobicContact CG2-CB 3.86Å; P235-A238 PolarHBondContact O-N 3.11Å; A238-Y240 VanDerWaalsContact C-N 3.32Å; A238-Y240 PolarHBondContact O-N 3.04Å; A238-D241 WeakPolarHBondContact CA-OD2 3.33Å; A238-D241 PolarHBondContact N-OD2 3.19Å; A238-V242 WeakPolarHBondContact O-CB 3.26Å; A238-V242 VanDerWaalsContact O-CG2 3.26Å; A238-V242 WeakPolarHBondContact O-CG2 3.4Å; A238-V242 PolarHBondContact O-N 3.32Å
239	L	95.6	Very high	94.6	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	13%	0.134	C	C	.	.	H	α-helix	trans	-57.8	-43.1	172.1	177.3	60.5	0	0	0	112.7	V141 E144 F178 I234 K237 G243 Y811	V141-L239 HydrophobicContact CG2-CD1 3.79Å; V141-L239 HydrophobicContact CG2-CG 4.24Å; E144-L239 HydrophobicContact CB-CD2 3.74Å; E144-L239 HydrophobicContact CG-CD2 3.85Å; F178-L239 HydrophobicContact CE1-CD1 3.97Å; F178-L239 HydrophobicContact CE1-CD2 4.23Å; F178-L239 HydrophobicContact CZ-CD1 3.92Å; I234-L239 HydrophobicContact CD1-CB 3.98Å; I234-L239 HydrophobicContact CD1-CD1 4.09Å; I234-L239 HydrophobicContact CD1-CD2 4.39Å; I234-L239 HydrophobicContact CD1-CG 4.38Å; I234-L239 HydrophobicContact CG2-CB 4.21Å; K237-L239 PolarHBondContact O-N 3.19Å; L239-G243 PolarHBondContact O-N 2.84Å; L239-G243 VanDerWaalsContact O-N 3.09Å; L239-Y811 HydrophobicContact CD1-CD2 3.9Å; L239-Y811 HydrophobicContact CD1-CE2 3.65Å
240	Y	93.9	Very high	94.6	Very high	35 Å²	35	24 Å²	24	14%	0.137	13%	0.127	C	C	.	.	H	α-helix	trans	-80.5	-37.9	-178.6	-47.5	-45.7	0	0	0	111.6	V141 K145 M148 K237 A238 G243 D244	V141-Y240 HydrophobicContact CG1-CD1 4.09Å; K145-Y240 HydrophobicContact CD-CD1 4.13Å; K145-Y240 HydrophobicContact CD-CE1 4.34Å; K145-Y240 HydrophobicContact CG-CD1 3.74Å; K145-Y240 HydrophobicContact CG-CE1 3.45Å; K145-Y240 VanDerWaalsContact CG-CE1 3.45Å; M148-Y240 WeakPolarHBondContact CG-OH 3.34Å; K237-Y240 HydrophobicContact CB-CD2 4.37Å; K237-Y240 WeakPolarHBondContact O-CA 3.33Å; K237-Y240 WeakPolarHBondContact O-CB 3.47Å; K237-Y240 PolarHBondContact O-N 3.07Å; A238-Y240 VanDerWaalsContact C-N 3.32Å; A238-Y240 PolarHBondContact O-N 3.04Å; Y240-G243 CarbonylContact O-C 3.53Å; Y240-G243 WeakPolarHBondContact O-CA 3.39Å; Y240-G243 PolarHBondContact O-N 2.92Å; Y240-D244 PolarHBondContact O-N 3.27Å
241	D	94	Very high	94.3	Very high	67 Å²	67	27.7 Å²	27.7	36%	0.358	16%	0.158	S	C	.	.	H	α-helix	trans	-63.1	-43.4	176.5	-51.4	-37.3	0	0	0	110.6	K237 A238 G243 D244 I245	K237-D241 WeakPolarHBondContact CB-OD1 3.48Å; K237-D241 WeakPolarHBondContact CB-OD2 3.38Å; K237-D241 VanDerWaalsContact O-CG 3.3Å; K237-D241 PolarHBondContact O-N 3.01Å; A238-D241 WeakPolarHBondContact CA-OD2 3.33Å; A238-D241 PolarHBondContact N-OD2 3.19Å; D241-G243 VanDerWaalsContact C-N 3.32Å; D241-D244 PolarHBondContact O-N 3.42Å; D241-I245 WeakPolarHBondContact O-CD1 3.3Å; D241-I245 WeakPolarHBondContact O-CG1 3.44Å; D241-I245 PolarHBondContact O-N 3.23Å
242	V	95	Very high	94	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.7	-38.1	170	178.7	0	0	0	0	110.9	L112 F137 A238 D244 I245 V246	L112-V242 HydrophobicContact CD2-CG2 4.24Å; F137-V242 HydrophobicContact CE1-CG1 4.33Å; F137-V242 HydrophobicContact CE2-CG1 4.36Å; F137-V242 HydrophobicContact CZ-CB 4.24Å; F137-V242 HydrophobicContact CZ-CG1 3.65Å; A238-V242 WeakPolarHBondContact O-CB 3.26Å; A238-V242 VanDerWaalsContact O-CG2 3.26Å; A238-V242 WeakPolarHBondContact O-CG2 3.4Å; A238-V242 PolarHBondContact O-N 3.32Å; V242-D244 VanDerWaalsContact C-N 3.34Å; V242-D244 PolarHBondContact O-N 3.22Å; V242-I245 PolarHBondContact O-N 3.42Å; V242-V246 HydrophobicContact CG1-CG2 4.27Å; V242-V246 WeakPolarHBondContact O-CB 3.25Å; V242-V246 VanDerWaalsContact O-CG2 3.25Å; V242-V246 WeakPolarHBondContact O-CG2 3.33Å; V242-V246 PolarHBondContact O-N 3.17Å
243	G	94	Very high	93.9	Very high	2 Å²	2	36.2 Å²	36.2	2%	0.021	19%	0.193	C	C	.	.	H	α-helix	trans	-46.6	-52	168.2	0	0	0	0	0	113.7	L239 Y240 D241 H247	L239-G243 PolarHBondContact O-N 2.84Å; L239-G243 VanDerWaalsContact O-N 3.09Å; Y240-G243 CarbonylContact O-C 3.53Å; Y240-G243 WeakPolarHBondContact O-CA 3.39Å; Y240-G243 PolarHBondContact O-N 2.92Å; D241-G243 VanDerWaalsContact C-N 3.32Å; G243-H247 PolarHBondContact O-CE1 3.05Å; G243-H247 PolarHBondContact O-ND1 2.75Å
244	D	92.5	Very high	93.7	Very high	83 Å²	83	39.3 Å²	39.3	44%	0.444	23%	0.226	S	C	.	.	H	α-helix	trans	-77.6	-34.6	-177.2	-64.5	-36.7	0	0	0	112.1	Y240 D241 V242 V246 H247 S248	Y240-D244 PolarHBondContact O-N 3.27Å; D241-D244 PolarHBondContact O-N 3.42Å; V242-D244 VanDerWaalsContact C-N 3.34Å; V242-D244 PolarHBondContact O-N 3.22Å; D244-V246 VanDerWaalsContact C-N 3.34Å; D244-V246 PolarHBondContact O-N 3.01Å; D244-H247 PolarHBondContact O-N 3.24Å; D244-S248 PolarHBondContact O-N 2.95Å
245	I	94.1	Very high	93.7	Very high	41 Å²	41	40.2 Å²	40.2	21%	0.21	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-41.4	172.4	-67.4	163.6	0	0	0	111.5	P113 D241 V242 H247 S248 V249 V818 K822	P113-I245 HydrophobicContact CG-CD1 4.32Å; D241-I245 WeakPolarHBondContact O-CD1 3.3Å; D241-I245 WeakPolarHBondContact O-CG1 3.44Å; D241-I245 PolarHBondContact O-N 3.23Å; V242-I245 PolarHBondContact O-N 3.42Å; I245-H247 VanDerWaalsContact C-N 3.27Å; I245-H247 PolarHBondContact O-N 2.85Å; I245-S248 PolarHBondContact O-N 3.01Å; I245-V249 HydrophobicContact CG2-CG2 4.01Å; I245-V249 WeakPolarHBondContact O-CG2 3.32Å; I245-V249 PolarHBondContact O-N 3.17Å; I245-V818 HydrophobicContact CG2-CG1 3.45Å; I245-V818 VanDerWaalsContact CG2-CG1 3.45Å; I245-K822 HydrophobicContact CG2-CD 3.75Å
246	V	94.8	Very high	93.5	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-56.2	-40.8	179.4	160.8	0	0	0	0	112	L130 F137 V242 D244 R250 V814 V818	L130-V246 HydrophobicContact CD1-CG1 4.22Å; F137-V246 HydrophobicContact CD1-CG1 4.44Å; F137-V246 HydrophobicContact CD1-CG2 4.11Å; F137-V246 HydrophobicContact CE1-CB 4.35Å; F137-V246 HydrophobicContact CE1-CG2 3.75Å; F137-V246 HydrophobicContact CZ-CG2 4.46Å; V242-V246 HydrophobicContact CG1-CG2 4.27Å; V242-V246 WeakPolarHBondContact O-CB 3.25Å; V242-V246 VanDerWaalsContact O-CG2 3.25Å; V242-V246 WeakPolarHBondContact O-CG2 3.33Å; V242-V246 PolarHBondContact O-N 3.17Å; D244-V246 VanDerWaalsContact C-N 3.34Å; D244-V246 PolarHBondContact O-N 3.01Å; V246-R250 WeakPolarHBondContact O-CB 3.42Å; V246-R250 VanDerWaalsContact O-CG 3.27Å; V246-R250 WeakPolarHBondContact O-CG 3.38Å; V246-R250 PolarHBondContact O-N 2.82Å; V246-V814 HydrophobicContact CG2-CG1 3.32Å; V246-V818 HydrophobicContact CG2-CG2 3.73Å
247	H	92.4	Very high	93.3	Very high	12 Å²	12	48.6 Å²	48.6	6%	0.056	27%	0.271	C	S	.	.	H	α-helix	trans	-70	-43.8	177.8	-63.9	84.7	0	0	0	111.6	C138 G243 D244 I245 V249 R250 A251 C259 C261 Q265	C138-H247 PolarHBondContact SG-CE1 3.27Å; G243-H247 PolarHBondContact O-CE1 3.05Å; G243-H247 PolarHBondContact O-ND1 2.75Å; D244-H247 PolarHBondContact O-N 3.24Å; I245-H247 VanDerWaalsContact C-N 3.27Å; I245-H247 PolarHBondContact O-N 2.85Å; H247-V249 VanDerWaalsContact C-N 3.33Å; H247-V249 PolarHBondContact O-N 3.45Å; H247-R250 PolarHBondContact O-N 2.9Å; H247-A251 WeakPolarHBondContact O-CB 3.39Å; H247-A251 PolarHBondContact O-N 3.26Å; H247-C259 PolarHBondContact NE2-SG 2.83Å; H247-C259 VanDerWaalsContact NE2-SG 3.4Å; H247-C261 WeakPolarHBondContact NE2-CB 3.4Å; H247-Q265 VanDerWaalsContact CB-OE1 3.27Å
248	S	92.6	Very high	93.1	Very high	80 Å²	80	46.4 Å²	46.4	56%	0.559	27%	0.266	S	S	*	.	H	α-helix	trans	-59.2	-43.3	176.4	-174.1	0	0	0	0	112.2	D244 I245 K252	D244-S248 PolarHBondContact O-N 2.95Å; I245-S248 PolarHBondContact O-N 3.01Å; S248-K252 WeakPolarHBondContact O-CB 3.48Å; S248-K252 PolarHBondContact O-N 3.48Å; S248-K252 VanDerWaalsContact O-N 3.1Å
249	V	93.6	Very high	92.7	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.018	27%	0.267	C	S	.	.	H	α-helix	trans	-68.7	-47.1	177.9	169.9	0	0	0	0	110.8	L130 I245 H247 A251 K252 W253 V818 L821 K822	L130-V249 HydrophobicContact CD2-CG1 3.9Å; I245-V249 HydrophobicContact CG2-CG2 4.01Å; I245-V249 WeakPolarHBondContact O-CG2 3.32Å; I245-V249 PolarHBondContact O-N 3.17Å; H247-V249 VanDerWaalsContact C-N 3.33Å; H247-V249 PolarHBondContact O-N 3.45Å; V249-A251 VanDerWaalsContact C-N 3.34Å; V249-A251 PolarHBondContact O-N 3.02Å; V249-K252 PolarHBondContact O-N 3.47Å; V249-W253 WeakPolarHBondContact O-CB 3.26Å; V249-W253 VanDerWaalsContact O-CD1 3.32Å; V249-W253 PolarHBondContact O-N 3.23Å; V249-V818 HydrophobicContact CG2-CG1 4.36Å; V249-L821 HydrophobicContact CG1-CB 3.66Å; V249-L821 HydrophobicContact CG1-CD1 3.53Å; V249-L821 HydrophobicContact CG1-CG 4.19Å; V249-K822 HydrophobicContact CG2-CD 4.05Å; V249-K822 HydrophobicContact CG2-CG 3.74Å
250	R	94	Very high	92.1	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.008	29%	0.291	C	S	.	.	H	α-helix	trans	-59.6	-43.3	178.5	-76.8	173	115.8	-159.5	-2.4	112	L130 A131 D135 V246 H247 G254 I255 K256 A257	L130-R250 HydrophobicContact CD2-CG 3.76Å; L130-R250 HydrophobicContact CG-CG 3.78Å; L130-R250 PolarHBondContact O-NE 2.73Å; L130-R250 PolarHBondContact O-NH2 2.98Å; L130-R250 VanDerWaalsContact O-NH2 3.16Å; A131-R250 PolarHBondContact O-NH2 3.42Å; D135-R250 IonicContact OD1-CZ 3.59Å; D135-R250 IonicContact OD1-NH1 3.87Å; D135-R250 PolarHBondContact OD1-NH1 2.9Å; D135-R250 IonicContact OD1-NH2 3.84Å; D135-R250 PolarHBondContact OD1-NH2 3.39Å; D135-R250 IonicContact OD2-NH2 2.7Å; V246-R250 WeakPolarHBondContact O-CB 3.42Å; V246-R250 VanDerWaalsContact O-CG 3.27Å; V246-R250 WeakPolarHBondContact O-CG 3.38Å; V246-R250 PolarHBondContact O-N 2.82Å; H247-R250 PolarHBondContact O-N 2.9Å; R250-G254 PolarHBondContact O-N 3.08Å; R250-G254 VanDerWaalsContact O-N 3.13Å; R250-I255 HydrophobicContact CB-CB 4.1Å; R250-I255 HydrophobicContact CG-CB 4Å; R250-I255 HydrophobicContact CG-CG2 4Å; R250-I255 PolarHBondContact O-N 3.26Å; R250-K256 PolarHBondContact NH2-O 3.23Å; R250-K256 VanDerWaalsContact NH2-O 3.1Å; R250-A257 VanDerWaalsContact NH1-CB 3.29Å
251	A	91.4	Very high	91.5	Very high	81 Å²	81	49.8 Å²	49.8	67%	0.669	29%	0.292	S	S	*	.	H	α-helix	trans	-61.3	-47.6	175.1	0	0	0	0	0	112.5	H247 V249 W253 G254	H247-A251 WeakPolarHBondContact O-CB 3.39Å; H247-A251 PolarHBondContact O-N 3.26Å; V249-A251 VanDerWaalsContact C-N 3.34Å; V249-A251 PolarHBondContact O-N 3.02Å; A251-W253 VanDerWaalsContact C-N 3.34Å; A251-W253 PolarHBondContact O-N 2.92Å; A251-G254 PolarHBondContact O-N 3.14Å
252	K	91.9	Very high	90	Very high	135 Å²	135	47.7 Å²	47.7	59%	0.587	28%	0.283	S	S	*	.	H	α-helix	trans	-67.2	-31.4	-178.4	-175.1	169.2	174.6	-177.8	0	113.7	S248 V249 E825	S248-K252 WeakPolarHBondContact O-CB 3.48Å; S248-K252 PolarHBondContact O-N 3.48Å; S248-K252 VanDerWaalsContact O-N 3.1Å; V249-K252 PolarHBondContact O-N 3.47Å; K252-E825 HydrophobicContact CD-CG 4.24Å; K252-E825 WeakPolarHBondContact CD-OE2 3.45Å; K252-E825 WeakPolarHBondContact CE-OE2 3.35Å; K252-E825 IonicContact NZ-OE2 3.01Å; K252-E825 PolarHBondContact NZ-OE2 3.31Å
253	W	93.1	Very high	88.2	Confident	55 Å²	55	54.1 Å²	54.1	21%	0.208	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	8.8	179.9	-71.6	91.7	0	0	0	114.3	L123 V249 A251 I255 L821 E825 L828	L123-W253 HydrophobicContact CD1-CE3 4.45Å; L123-W253 HydrophobicContact CD1-CH2 3.69Å; L123-W253 HydrophobicContact CD1-CZ2 4.23Å; L123-W253 HydrophobicContact CD1-CZ3 3.82Å; L123-W253 HydrophobicContact CD2-CH2 4.2Å; L123-W253 HydrophobicContact CD2-CZ3 4.04Å; L123-W253 HydrophobicContact CG-CZ3 4.4Å; V249-W253 WeakPolarHBondContact O-CB 3.26Å; V249-W253 VanDerWaalsContact O-CD1 3.32Å; V249-W253 PolarHBondContact O-N 3.23Å; A251-W253 VanDerWaalsContact C-N 3.34Å; A251-W253 PolarHBondContact O-N 2.92Å; W253-I255 HydrophobicContact CB-CD1 4.01Å; W253-I255 HydrophobicContact CB-CG1 4.09Å; W253-I255 PolarHBondContact O-N 2.82Å; W253-L821 HydrophobicContact CD2-CD2 3.65Å; W253-L821 HydrophobicContact CE3-CD2 4.14Å; W253-L821 HydrophobicContact CG-CD2 3.85Å; W253-L821 HydrophobicContact CZ2-CD2 4.25Å; W253-L821 WeakPolarHBondContact CZ2-O 3.43Å; W253-E825 HydrophobicContact CZ2-CG 3.79Å; W253-E825 PolarHBondContact NE1-OE1 2.96Å; W253-L828 HydrophobicContact CH2-CD1 4.12Å
254	G	92.5	Very high	86.4	Confident	71 Å²	71	63.6 Å²	63.6	73%	0.732	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	16.8	178.5	0	0	0	0	0	115	R250 A251 K256	R250-G254 PolarHBondContact O-N 3.08Å; R250-G254 VanDerWaalsContact O-N 3.13Å; A251-G254 PolarHBondContact O-N 3.14Å; G254-K256 PolarHBondContact O-N 3.27Å
255	I	94.3	Very high	84.3	Confident	21 Å²	21	62.8 Å²	62.8	11%	0.108	35%	0.346	C	S	.	.			trans	-81.3	119.5	-177.9	-56.7	169.4	0	0	0	108.7	K127 L130 A131 R250 W253 A257 L821	K127-I255 HydrophobicContact CB-CD1 4.29Å; K127-I255 HydrophobicContact CG-CD1 4.26Å; L130-I255 HydrophobicContact CB-CD1 4.29Å; L130-I255 HydrophobicContact CD2-CD1 4.1Å; L130-I255 HydrophobicContact CG-CD1 4.45Å; A131-I255 HydrophobicContact CB-CG2 4.01Å; R250-I255 HydrophobicContact CB-CB 4.1Å; R250-I255 HydrophobicContact CG-CB 4Å; R250-I255 HydrophobicContact CG-CG2 4Å; R250-I255 PolarHBondContact O-N 3.26Å; W253-I255 HydrophobicContact CB-CD1 4.01Å; W253-I255 HydrophobicContact CB-CG1 4.09Å; W253-I255 PolarHBondContact O-N 2.82Å; I255-A257 PolarHBondContact O-N 3.38Å; I255-L821 HydrophobicContact CD1-CD1 4.19Å
256	K	90.9	Very high	81.7	Confident	156 Å²	156	68.4 Å²	68.4	68%	0.678	37%	0.369	S	S	*	.			trans	-59.6	135.8	-179.8	-161.9	-172.5	-173.2	-147	0	111.5	R250 G254 N258	R250-K256 PolarHBondContact NH2-O 3.23Å; R250-K256 VanDerWaalsContact NH2-O 3.1Å; G254-K256 PolarHBondContact O-N 3.27Å; K256-N258 WeakPolarHBondContact CD-OD1 3.49Å; K256-N258 WeakPolarHBondContact CE-OD1 3.5Å; K256-N258 PolarHBondContact NZ-OD1 2.7Å
257	A	90.1	Very high	78.8	Confident	30 Å²	30	76.6 Å²	76.6	25%	0.248	41%	0.405	C	S	.	.			trans	-124.9	108.4	176.6	0	0	0	0	0	110.6	R250 I255 S262	R250-A257 VanDerWaalsContact NH1-CB 3.29Å; I255-A257 PolarHBondContact O-N 3.38Å; A257-S262 PolarHBondContact O-OG 3.24Å
258	N	89.2	Confident	76.2	Confident	97 Å²	97	83.3 Å²	83.3	52%	0.519	44%	0.44	S	S	.	.			trans	-97	3.5	-177.5	-40	-92.1	0	0	0	112.2	D135 K256	D135-N258 PolarHBondContact OD1-N 2.88Å; D135-N258 WeakPolarHBondContact OD2-CB 3.24Å; D135-N258 PolarHBondContact OD2-N 3.04Å; D135-N258 PolarHBondContact OD2-ND2 2.81Å; K256-N258 WeakPolarHBondContact CD-OD1 3.49Å; K256-N258 WeakPolarHBondContact CE-OD1 3.5Å; K256-N258 PolarHBondContact NZ-OD1 2.7Å
259	C	87.2	Confident	73.5	Confident	5 Å²	5	88.1 Å²	88.1	3%	0.034	45%	0.451	C	S	.	.	S	Bend	trans	-68.9	154.6	-178.1	62.9	0	0	0	0	113.6	D135 C138 H247 C261 S262	D135-C259 HydrophobicContact CB-CB 4.22Å; D135-C259 WeakPolarHBondContact OD1-CB 3.49Å; D135-C259 PolarHBondContact OD1-N 3.17Å; D135-C259 VanDerWaalsContact OD1-N 3.12Å; C138-C259 HydrophobicContact CB-CB 3.52Å; C138-C259 VanDerWaalsContact SG-SG 3.7Å; H247-C259 PolarHBondContact NE2-SG 2.83Å; H247-C259 VanDerWaalsContact NE2-SG 3.4Å; C259-C261 PolarHBondContact O-N 3.05Å; C259-S262 PolarHBondContact O-N 3.43Å; C259-S262 PolarHBondContact O-OG 3.19Å
260	P	83	Confident	70.5	Confident	80 Å²	80	92.1 Å²	92.1	52%	0.519	48%	0.48	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-15.7	179.5	-24.3	34.6	0	0	0	115.2	I142	I142-P260 HydrophobicContact CD1-CB 3.99Å; I142-P260 HydrophobicContact CD1-CG 4.08Å
261	C	80.6	Confident	67.4	Low	24 Å²	24	101.3 Å²	101.3	16%	0.162	52%	0.52	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-34.9	177.1	-67.3	0	0	0	0	113	H247 C259 N263 R264	H247-C261 WeakPolarHBondContact NE2-CB 3.4Å; C259-C261 PolarHBondContact O-N 3.05Å; C261-N263 VanDerWaalsContact C-N 3.27Å; C261-N263 PolarHBondContact O-N 3.23Å; C261-R264 WeakPolarHBondContact O-CB 3.28Å; C261-R264 PolarHBondContact O-N 3.32Å
262	S	63.8	Low	64.4	Low	24 Å²	24	103.2 Å²	103.2	17%	0.168	53%	0.525	C	S	.	.	H	α-helix	trans	-54	-42.1	-175.3	-60.1	0	0	0	0	112.4	A257 C259 R264 Q265	A257-S262 PolarHBondContact O-OG 3.24Å; C259-S262 PolarHBondContact O-N 3.43Å; C259-S262 PolarHBondContact O-OG 3.19Å; S262-R264 PolarHBondContact O-N 3.46Å; S262-R264 VanDerWaalsContact O-N 3.15Å; S262-Q265 PolarHBondContact O-N 2.81Å
263	N	57.2	Low	61.5	Low	134 Å²	134	101.3 Å²	101.3	72%	0.717	54%	0.535	S	S	*	.	H	α-helix	trans	-67.7	-12.6	180	-72	-4.9	0	0	0	114.4	C261	C261-N263 VanDerWaalsContact C-N 3.27Å; C261-N263 PolarHBondContact O-N 3.23Å
264	R	54.4	Low	58.3	Low	202 Å²	202	106.6 Å²	106.6	76%	0.762	57%	0.566	S	S	*	*	H	α-helix	trans	-90.5	-33.9	176.3	-61.5	-169.1	-177.3	-161.9	3.3	112.5	C261 S262 K267	C261-R264 WeakPolarHBondContact O-CB 3.28Å; C261-R264 PolarHBondContact O-N 3.32Å; S262-R264 PolarHBondContact O-N 3.46Å; S262-R264 VanDerWaalsContact O-N 3.15Å; R264-K267 PolarHBondContact O-N 2.95Å
265	Q	49.7	Very low	55.4	Low	66 Å²	66	112.4 Å²	112.4	31%	0.308	57%	0.571	S	S	.	*	H	α-helix	trans	-74.1	-34.1	-177.6	-71.8	-169.4	-12.4	0	0	113.4	H247 S262 K267 L268	H247-Q265 VanDerWaalsContact CB-OE1 3.27Å; S262-Q265 PolarHBondContact O-N 2.81Å; Q265-K267 PolarHBondContact O-N 2.97Å; Q265-K267 VanDerWaalsContact O-N 3.12Å; Q265-L268 PolarHBondContact O-N 3.21Å
266	F	38.1	Very low	52.2	Low	159 Å²	159	119.9 Å²	119.9	70%	0.697	61%	0.606	S	S	*	*	H	α-helix	trans	-57.8	-26.8	174.5	-85.6	-80.2	0	0	0	113.5	L268 S270	F266-L268 VanDerWaalsContact C-N 3.34Å; F266-L268 PolarHBondContact O-N 3.45Å; F266-S270 PolarHBondContact O-N 2.74Å; F266-S270 PolarHBondContact O-OG 2.85Å
267	K	34.3	Very low	49.1	Very low	172 Å²	172	120 Å²	120	75%	0.748	61%	0.613	S	S	*	*	H	α-helix	trans	-74.7	-15.2	175	-70.5	-165.6	175.1	-172.4	0	114.7	R264 Q265	R264-K267 PolarHBondContact O-N 2.95Å; Q265-K267 PolarHBondContact O-N 2.97Å; Q265-K267 VanDerWaalsContact O-N 3.12Å
268	L	38.1	Very low	46.2	Very low	152 Å²	152	126.6 Å²	126.6	80%	0.796	64%	0.644	S	S	*	*	H	α-helix	trans	-86.1	-21.6	173.9	-96.1	77.8	0	0	0	113.3	Q265 F266	Q265-L268 PolarHBondContact O-N 3.21Å; F266-L268 VanDerWaalsContact C-N 3.34Å; F266-L268 PolarHBondContact O-N 3.45Å
269	F	36.8	Very low	43.2	Very low	181 Å²	181	131.4 Å²	131.4	79%	0.794	66%	0.66	S	S	*	*	H	α-helix	trans	-94.1	-11.1	178.9	-71.7	-75.9	0	0	0	113.9	K271	F269-K271 PolarHBondContact O-N 3.34Å; F269-K271 VanDerWaalsContact O-N 3.15Å
270	S	28.9	Very low	40.3	Very low	87 Å²	87	139.3 Å²	139.3	61%	0.608	70%	0.697	S	S	*	*			trans	-76.8	92.6	167.9	-61.9	0	0	0	0	111	F266	F266-S270 PolarHBondContact O-N 2.74Å; F266-S270 PolarHBondContact O-OG 2.85Å
271	K	30.2	Very low	37.5	Very low	196 Å²	196	141.4 Å²	141.4	85%	0.852	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-53.5	133.8	163.5	-85.3	-174.2	173.9	-178.3	0	109.3	F269 A273	F269-K271 PolarHBondContact O-N 3.34Å; F269-K271 VanDerWaalsContact O-N 3.15Å; K271-A273 PolarHBondContact O-N 2.67Å
272	P	28.9	Very low	34.8	Very low	121 Å²	121	144.6 Å²	144.6	79%	0.786	73%	0.731	S	S	*	*	P	Polyproline II helix	trans	-60.5	126.6	168.2	-20.1	32.2	0	0	0	109.6	L274	P272-L274 PolarHBondContact O-N 3.15Å
273	A	29.2	Very low	32.9	Very low	95 Å²	95	151.1 Å²	151.1	79%	0.785	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-68.9	122.3	163.9	0	0	0	0	0	107.9	K271 K275	K271-A273 PolarHBondContact O-N 2.67Å; A273-K275 PolarHBondContact O-N 3.49Å
274	L	26.9	Very low	31.4	Very low	165 Å²	165	150.2 Å²	150.2	86%	0.864	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-63.6	124.8	171.1	-74.8	166.2	0	0	0	108.5	P272	P272-L274 PolarHBondContact O-N 3.15Å
275	K	30.6	Very low	29.9	Very low	193 Å²	193	144 Å²	144	84%	0.839	77%	0.766	S	S	*	*			trans	-90.3	114.4	160.4	-74.3	-171.1	172.7	-169.9	0	107.5	A273	A273-K275 PolarHBondContact O-N 3.49Å
276	E	27.5	Very low	28.8	Very low	178 Å²	178	150.5 Å²	150.5	83%	0.832	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-87.5	120.9	161.1	-65.6	-176.9	136.6	0	0	107.7
277	D	27.2	Very low	28.2	Very low	158 Å²	158	152.5 Å²	152.5	85%	0.845	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-81.8	123.1	172.7	-86.5	-40.5	0	0	0	109.8	K279	D277-K279 PolarHBondContact O-N 3.1Å
278	L	27.6	Very low	28.4	Very low	169 Å²	169	149.2 Å²	149.2	89%	0.885	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69.8	121.7	173.5	-103.3	75.2	0	0	0	111
279	K	27.3	Very low	27.7	Very low	198 Å²	198	148.3 Å²	148.3	86%	0.861	80%	0.802	S	S	*	*			trans	-135.4	142.9	143.1	-90.5	-171.1	178.1	175.2	0	112.1	D277	D277-K279 PolarHBondContact O-N 3.1Å
280	Q	26	Very low	27.1	Very low	172 Å²	172	147.7 Å²	147.7	80%	0.804	81%	0.806	S	S	*	*			trans	-50.2	160.4	-175.2	-62.9	140.2	-38.1	0	0	113.4
281	T	24.4	Very low	26.9	Very low	123 Å²	123	146.8 Å²	146.8	76%	0.755	81%	0.811	S	S	*	*			cis	-161.9	151.1	39.7	-34.1	0	0	0	0	113.9
282	S	23	Very low	26.7	Very low	92 Å²	92	142.8 Å²	142.8	64%	0.643	80%	0.802	S	S	*	*			trans	55.7	117	147.1	55.4	0	0	0	0	123.2
283	L	25.4	Very low	26.4	Very low	160 Å²	160	145.4 Å²	145.4	84%	0.838	81%	0.806	S	S	*	*				85.2	113.4	127.1	-68.2	168.4	0	0	0	121.9
284	S	24.3	Very low	26.1	Very low	115 Å²	115	146 Å²	146	80%	0.804	80%	0.8	S	S	*	*			trans	54.1	128.9	134.2	64.1	0	0	0	0	121.9
285	G	23.3	Very low	26	Very low	71 Å²	71	145.8 Å²	145.8	73%	0.732	79%	0.794	S	S	*	*			trans	151.6	88.5	146.1	0	0	0	0	0	117.8
286	E	26.5	Very low	25.7	Very low	204 Å²	204	145.1 Å²	145.1	95%	0.953	79%	0.794	S	S	*	*			trans	59.7	-163.3	146.1	-51.4	-158	125.1	0	0	119.7
287	K	27	Very low	25.4	Very low	201 Å²	201	142.4 Å²	142.4	87%	0.874	80%	0.795	S	S	*	*			trans	-152.6	-164.9	-141.1	-133.7	-167.6	175.9	179.7	0	112.4
288	P	37.3	Very low	25.2	Very low	102 Å²	102	140.2 Å²	140.2	66%	0.662	79%	0.792	S	S	*	*				-125.2	159.7	-126	41.8	-24.3	0	0	0	117.5
289	T	24.4	Very low	26	Very low	134 Å²	134	137.5 Å²	137.5	82%	0.822	79%	0.785	S	S	*	*			trans	-155.4	130	153.4	25	0	0	0	0	107
290	L	23.5	Very low	25.8	Very low	167 Å²	167	133.7 Å²	133.7	87%	0.874	78%	0.778	S	S	*	*			cis	82.6	123.8	49.1	-166.6	75.3	0	0	0	112.6
291	G	25.4	Very low	25.8	Very low	69 Å²	69	133.3 Å²	133.3	71%	0.711	78%	0.78	S	S	*	*			trans	128	95.3	-173.6	0	0	0	0	0	111.5
292	T	24.6	Very low	25.8	Very low	111 Å²	111	135.6 Å²	135.6	68%	0.681	78%	0.783	S	S	*	*			cis	110.3	105.5	29.6	-65.1	0	0	0	0	110.7
293	M	23.2	Very low	26.4	Very low	176 Å²	176	136.2 Å²	136.2	87%	0.867	78%	0.784	S	S	*	*			trans	67.8	160.1	156.1	-70.9	-178.2	172.7	0	0	118.3
294	V	23.7	Very low	26.5	Very low	107 Å²	107	135.2 Å²	135.2	65%	0.648	79%	0.785	S	S	*	*			cis	-163.9	171.6	-22.5	127.4	0	0	0	0	108.5
295	Q	23	Very low	26.6	Very low	161 Å²	161	133.8 Å²	133.8	75%	0.752	78%	0.78	S	S	*	*			trans	70.8	131.5	173.6	-77.6	146.3	5.3	0	0	115
296	Q	24.5	Very low	26.6	Very low	179 Å²	179	137.3 Å²	137.3	84%	0.836	79%	0.787	S	S	*	*			cis	74	92.1	45.5	-68.5	-170.9	-31.3	0	0	114.9
297	S	21.4	Very low	26.4	Very low	121 Å²	121	133.7 Å²	133.7	85%	0.846	78%	0.783	S	S	*	*				-170.3	151.8	124.7	50.4	0	0	0	0	112.4
298	S	22.6	Very low	26.2	Very low	112 Å²	112	127.7 Å²	127.7	78%	0.783	78%	0.778	S	S	*	*			trans	-118.2	-175.5	158.6	-38.1	0	0	0	0	106.2
299	P	45.2	Very low	25.5	Very low	112 Å²	112	131.9 Å²	131.9	73%	0.727	79%	0.788	S	S	*	*			cis	-138.9	-159.6	-3.4	28.4	-2.1	0	0	0	113.8
300	V	23.8	Very low	25.5	Very low	118 Å²	118	130 Å²	130	72%	0.715	79%	0.787	S	S	*	*			trans	75	117.2	156	-144.9	0	0	0	0	118.7
301	L	25	Very low	25.6	Very low	164 Å²	164	126.5 Å²	126.5	86%	0.859	78%	0.781	S	S	*	*				175.1	130.7	109.1	-91.4	168.7	0	0	0	113.8
302	E	24.9	Very low	25.6	Very low	172 Å²	172	129.3 Å²	129.3	80%	0.804	79%	0.79	S	S	*	*			trans	-77.8	169.1	152.4	-115.9	179	-135.9	0	0	108.6
303	P	36.1	Very low	25.6	Very low	105 Å²	105	133.4 Å²	133.4	68%	0.682	80%	0.799	S	S	*	*				-165.1	-171.1	55.7	47.5	-24.8	0	0	0	119.8
304	V	26.2	Very low	26.3	Very low	139 Å²	139	131 Å²	131	84%	0.842	80%	0.796	S	S	*	*			trans	74.6	149.3	156.5	-178.4	0	0	0	0	119.5
305	A	26.1	Very low	26.3	Very low	85 Å²	85	129.8 Å²	129.8	70%	0.702	80%	0.798	S	S	*	*			trans	-124.3	-175.2	-176.7	0	0	0	0	0	112.1
306	V	24.1	Very low	26.4	Very low	145 Å²	145	126.9 Å²	126.9	88%	0.879	80%	0.795	S	S	*	*			trans	-174	167.4	145.3	138.6	0	0	0	0	111.3
307	C	22.1	Very low	26.4	Very low	128 Å²	128	124 Å²	124	87%	0.865	79%	0.794	S	S	*	*			trans	-111.6	168.9	-156.3	-51.1	0	0	0	0	117.2
308	G	22.7	Very low	26.6	Very low	75 Å²	75	124.7 Å²	124.7	77%	0.773	79%	0.793	S	S	*	*			trans	114.2	169.2	141.5	0	0	0	0	0	117.9
309	E	23.3	Very low	26.6	Very low	189 Å²	189	128.4 Å²	128.4	88%	0.883	80%	0.795	S	S	*	*			cis	-166.1	155.9	-40.4	-157	175.5	-159	0	0	110
310	A	25.1	Very low	25.9	Very low	95 Å²	95	128.3 Å²	128.3	79%	0.785	80%	0.795	S	S	*	*			trans	63.3	164.3	160.5	0	0	0	0	0	119.9
311	A	25.4	Very low	25.7	Very low	93 Å²	93	128.5 Å²	128.5	77%	0.769	80%	0.796	S	S	*	*			cis	-170.8	154.9	-36.3	0	0	0	0	0	111
312	S	24	Very low	25.6	Very low	128 Å²	128	125.8 Å²	125.8	90%	0.895	79%	0.79	S	S	*	*			trans	175.5	173.1	144.8	43.4	0	0	0	0	113.8
313	K	24.6	Very low	25.6	Very low	198 Å²	198	124.1 Å²	124.1	86%	0.861	79%	0.794	S	S	*	*			trans	-156.5	-177.6	-165.5	-110.7	-177.2	-173.9	177.6	0	109.9
314	P	38	Very low	24.9	Very low	124 Å²	124	124.8 Å²	124.8	81%	0.805	80%	0.796	S	S	*	*			cis	-114.5	-139.7	18.4	32.3	-9.6	0	0	0	112.2
315	A	25.3	Very low	24.9	Very low	83 Å²	83	123.2 Å²	123.2	69%	0.686	79%	0.791	S	S	*	*			cis	-163	172.7	4.5	0	0	0	0	0	109.2
316	S	24.1	Very low	24.8	Very low	99 Å²	99	126.3 Å²	126.3	69%	0.692	80%	0.802	S	S	*	*			cis	-171.5	135.9	-17.5	44.5	0	0	0	0	111.7
317	S	24.8	Very low	24.7	Very low	118 Å²	118	124.6 Å²	124.6	83%	0.825	80%	0.796	S	S	*	*			trans	66.8	155.7	167.1	77.4	0	0	0	0	117.6
318	V	25	Very low	25.1	Very low	136 Å²	136	123.3 Å²	123.3	82%	0.824	79%	0.786	S	S	*	*			cis	-124.6	168.1	11.6	178.4	0	0	0	0	111.5
319	K	23.2	Very low	25.1	Very low	191 Å²	191	127 Å²	127	83%	0.83	79%	0.788	S	S	*	*			trans	-136.7	-179.2	-175.2	-110.3	-171.5	179.7	-178.1	0	109.9
320	P	30.1	Very low	25.2	Very low	110 Å²	110	125.4 Å²	125.4	71%	0.714	79%	0.785	S	S	*	*			cis	-122.9	-158.6	13.6	33.5	-9.4	0	0	0	111.6
321	T	20.4	Very low	25.1	Very low	122 Å²	122	132.8 Å²	132.8	75%	0.748	79%	0.793	S	S	*	*			cis	-152.7	158.7	6.8	-30.5	0	0	0	0	110.6
322	C	21.7	Very low	25.2	Very low	107 Å²	107	136.9 Å²	136.9	72%	0.723	80%	0.801	S	S	*	*			trans	-141.5	177.4	162.1	-56.1	0	0	0	0	109.5
323	P	26.1	Very low	25.1	Very low	136 Å²	136	134.1 Å²	134.1	88%	0.883	79%	0.786	S	S	*	*				-136.9	-179.9	98.8	38	-26.1	0	0	0	114.9
324	T	21.3	Very low	25.1	Very low	119 Å²	119	132.2 Å²	132.2	73%	0.73	79%	0.785	S	S	*	*			trans	-112.1	145.3	-155.4	48.2	0	0	0	0	115.2
325	S	25.9	Very low	24.5	Very low	106 Å²	106	134 Å²	134	74%	0.741	79%	0.787	S	S	*	*			trans	39.1	125.5	141.2	66.4	0	0	0	0	121.9
326	T	22.8	Very low	24.4	Very low	151 Å²	151	135.9 Å²	135.9	93%	0.926	79%	0.79	S	S	*	*			trans	-152.5	150.1	142.7	23.4	0	0	0	0	112.5
327	S	23	Very low	24.4	Very low	108 Å²	108	136.9 Å²	136.9	76%	0.755	80%	0.797	S	S	*	*			trans	-114.7	159.8	152.4	-169.8	0	0	0	0	105.3
328	P	29.6	Very low	24.3	Very low	102 Å²	102	134.5 Å²	134.5	66%	0.662	79%	0.791	S	S	*	*			cis	-139	-164.1	17	43.5	-23.9	0	0	0	115
329	L	24.1	Very low	24.2	Very low	153 Å²	153	136.2 Å²	136.2	80%	0.801	80%	0.796	S	S	*	*			trans	27.2	108.2	148.2	-68.8	167.5	0	0	0	119.4
330	N	24	Very low	24.3	Very low	155 Å²	155	133.3 Å²	133.3	83%	0.829	79%	0.793	S	S	*	*				-178.9	145.3	122	-97.1	-30.3	0	0	0	111.2
331	W	24.2	Very low	24	Very low	250 Å²	250	136 Å²	136	95%	0.947	80%	0.802	S	S	*	*			trans	-176.3	100.4	142.9	-118.1	64.7	0	0	0	109
332	L	26.4	Very low	24.3	Very low	178 Å²	178	139 Å²	139	93%	0.932	80%	0.804	S	S	*	*			trans	-154.6	72.3	176.3	-139.4	-176	0	0	0	110.8
333	A	23.6	Very low	24.5	Very low	70 Å²	70	142.6 Å²	142.6	58%	0.579	81%	0.811	S	S	*	*			trans	-154	119.2	165.7	0	0	0	0	0	108.5
334	D	24.6	Very low	24.4	Very low	159 Å²	159	142.9 Å²	142.9	85%	0.85	81%	0.805	S	S	*	*				-171	144.5	104.5	-94	-14.3	0	0	0	112
335	L	24.1	Very low	24.6	Very low	161 Å²	161	147 Å²	147	84%	0.843	81%	0.812	S	S	*	*			trans	-150.3	128	177	-76.3	172.3	0	0	0	103.4
336	T	23.1	Very low	24.6	Very low	123 Å²	123	149.1 Å²	149.1	76%	0.755	81%	0.811	S	S	*	*				-176.3	-174.2	64.2	44.3	0	0	0	0	109.8
337	S	24.3	Very low	24.6	Very low	119 Å²	119	151.1 Å²	151.1	83%	0.832	81%	0.807	S	S	*	*			trans	87.8	130	162.6	-47.7	0	0	0	0	116.2
338	G	22.9	Very low	24.5	Very low	68 Å²	68	153.8 Å²	153.8	70%	0.701	81%	0.807	S	S	*	*			cis	177.7	-178	-6.1	0	0	0	0	0	115.5
339	N	23.5	Very low	24.2	Very low	173 Å²	173	155.6 Å²	155.6	93%	0.925	81%	0.811	S	S	*	*			trans	70	149.3	171.6	-69.1	-8.1	0	0	0	120
340	V	24.3	Very low	24.1	Very low	129 Å²	129	154.6 Å²	154.6	78%	0.782	81%	0.811	S	S	*	*			trans	-124	145.6	-178.1	170.4	0	0	0	0	107.6
341	N	24.6	Very low	24.1	Very low	167 Å²	167	155.7 Å²	155.7	89%	0.893	81%	0.813	S	S	*	*			trans	-153.9	159	151.6	-108.1	-28.1	0	0	0	112.3
342	K	26.6	Very low	24.1	Very low	185 Å²	185	149.3 Å²	149.3	80%	0.804	80%	0.804	S	S	*	*			trans	-91.7	158.3	-177.9	-70.7	173.6	168.6	176.5	0	111.7
343	E	25.2	Very low	24.1	Very low	182 Å²	182	148.3 Å²	148.3	85%	0.85	80%	0.798	S	S	*	*				-176.7	178.3	100	-88.3	-147.2	125.6	0	0	112.7
344	N	25	Very low	24.1	Very low	143 Å²	143	153.1 Å²	153.1	77%	0.765	81%	0.813	S	S	*	*			trans	-107.9	150.7	-161.7	-47.7	-68.1	0	0	0	113.5
345	K	25.7	Very low	24	Very low	204 Å²	204	155 Å²	155	89%	0.887	81%	0.814	S	S	*	*				-175	163.9	109.3	-108.9	175	175.7	173.2	0	115.7
346	E	24.8	Very low	24	Very low	151 Å²	151	154.1 Å²	154.1	71%	0.706	81%	0.81	S	S	*	*			trans	-75.9	149.9	-179.5	-38.6	155.5	119.5	0	0	112.7
347	K	24.2	Very low	24	Very low	193 Å²	193	156.4 Å²	156.4	84%	0.839	81%	0.812	S	S	*	*				179.5	-176.5	101.3	-107.6	163.7	-171	178.4	0	114.9
348	Q	20.7	Very low	24.1	Very low	164 Å²	164	157.3 Å²	157.3	77%	0.766	81%	0.806	S	S	*	*			trans	-88.2	162.5	-159.4	-93.4	175.6	-42.7	0	0	116.9
349	L	23.3	Very low	24.1	Very low	141 Å²	141	162.7 Å²	162.7	74%	0.738	81%	0.81	S	S	*	*			trans	54.5	117	145.3	-64	163.1	0	0	0	117.8
350	T	21.6	Very low	24	Very low	131 Å²	131	160 Å²	160	80%	0.804	80%	0.803	S	S	*	*				-175.7	159.1	81.4	29.2	0	0	0	0	111.1
351	M	23.4	Very low	24	Very low	179 Å²	179	161.8 Å²	161.8	88%	0.882	81%	0.808	S	S	*	*			trans	-107.7	120.6	171.6	-80.8	-68.5	-66.4	0	0	110.7
352	P	23.9	Very low	24.2	Very low	116 Å²	116	159 Å²	159	75%	0.753	80%	0.799	S	S	*	*			trans	-85.3	131.5	172.4	31.7	-30.6	0	0	0	111.8
353	I	25.9	Very low	24.1	Very low	156 Å²	156	156.3 Å²	156.3	80%	0.8	80%	0.8	S	S	*	*			trans	-75.8	140.1	167.2	-65	161.6	0	0	0	108.8
354	L	24	Very low	24.2	Very low	172 Å²	172	155.3 Å²	155.3	90%	0.901	80%	0.8	S	S	*	*			trans	-129.3	150.9	164.2	-145.8	74.1	0	0	0	111.2
355	K	22.1	Very low	24.2	Very low	198 Å²	198	153.6 Å²	153.6	86%	0.861	80%	0.797	S	S	*	*			trans	-97.1	164.5	-165.7	-65.7	174.7	176.5	177	0	112.9
356	N	25.1	Very low	24.3	Very low	143 Å²	143	150.1 Å²	150.1	77%	0.765	80%	0.795	S	S	*	*			trans	-55	146.4	167.1	-67.2	-14.8	0	0	0	112.6
357	E	21.9	Very low	24.2	Very low	170 Å²	170	151.2 Å²	151.2	79%	0.794	81%	0.805	S	S	*	*			trans	-128.9	143.6	132.9	-79.9	-153.6	158.7	0	0	109.3
358	I	27.5	Very low	24.2	Very low	138 Å²	138	149.5 Å²	149.5	71%	0.708	81%	0.805	S	S	*	*			trans	-115.2	134.5	175.6	-64.7	170.7	0	0	0	107.5
359	K	22.4	Very low	24.5	Very low	182 Å²	182	151.2 Å²	151.2	79%	0.791	81%	0.809	S	S	*	*			trans	-127.7	113.8	167.8	-80.2	177.1	177.9	160.5	0	110
360	C	21.6	Very low	24.5	Very low	115 Å²	115	149.7 Å²	149.7	78%	0.777	81%	0.808	S	S	*	*			trans	-76.6	156.5	175.3	-61.8	0	0	0	0	111.5
361	L	25.3	Very low	24.9	Very low	167 Å²	167	148.7 Å²	148.7	87%	0.874	81%	0.806	S	S	*	*			trans	-120.4	154.1	166.7	-77.7	169.6	0	0	0	109.1
362	P	27.3	Very low	24.9	Very low	110 Å²	110	146 Å²	146	71%	0.714	80%	0.8	S	S	*	*			trans	-74.9	158	-167.2	29.6	-36.2	0	0	0	113.9
363	P	25.6	Very low	24.9	Very low	127 Å²	127	146.2 Å²	146.2	83%	0.825	80%	0.799	S	S	*	*			trans	-73.4	153.7	179.8	31.4	-36.1	0	0	0	113
364	L	26.1	Very low	24.8	Very low	162 Å²	162	146 Å²	146	85%	0.848	80%	0.799	S	S	*	*			trans	-119.9	155.9	172.6	-81.1	170.5	0	0	0	110.4
365	P	25.8	Very low	24.8	Very low	107 Å²	107	146.3 Å²	146.3	70%	0.695	80%	0.795	S	S	*	*			trans	-72.7	158.7	-160.5	27.9	-36.2	0	0	0	114.6	L367	P365-L367 PolarHBondContact O-N 3.24Å
366	P	26.9	Very low	25	Very low	131 Å²	131	142.8 Å²	142.8	85%	0.851	79%	0.79	S	S	*	*			trans	-67.5	127.2	-178	28	-35.1	0	0	0	111.8
367	L	24.6	Very low	25	Very low	174 Å²	174	145.5 Å²	145.5	91%	0.911	80%	0.796	S	S	*	*			trans	-107.2	146.5	170.7	-142.9	74.8	0	0	0	110.4	P365	P365-L367 PolarHBondContact O-N 3.24Å
368	N	24	Very low	25.1	Very low	157 Å²	157	144.5 Å²	144.5	84%	0.84	80%	0.796	S	S	*	*			trans	-67	151.1	-166.8	-77.3	-46.6	0	0	0	114.7	P370	N368-P370 WeakPolarHBondContact O-CD 3.48Å
369	K	27	Very low	24.9	Very low	199 Å²	199	143 Å²	143	87%	0.865	80%	0.797	S	S	*	*			trans	-54.9	139.3	175.5	-60.8	176.2	178.6	179.8	0	112.5
370	P	22.6	Very low	25	Very low	110 Å²	110	141.1 Å²	141.1	71%	0.714	80%	0.801	S	S	*	*			trans	-107	121	135.1	31.9	-25.2	0	0	0	109.4	N368 T372	N368-P370 WeakPolarHBondContact O-CD 3.48Å; P370-T372 PolarHBondContact O-N 3.4Å; P370-T372 VanDerWaalsContact O-N 3.16Å
371	S	29.3	Very low	25.2	Very low	109 Å²	109	142.2 Å²	142.2	76%	0.762	80%	0.798	S	S	*	*			trans	-80.8	90.9	178.1	54	0	0	0	0	111.3	V373	S371-V373 PolarHBondContact O-N 3.43Å
372	T	23.3	Very low	25.2	Very low	124 Å²	124	142.4 Å²	142.4	76%	0.761	80%	0.799	S	S	*	*			trans	-86.7	80.8	175.1	-47.3	0	0	0	0	110.5	P370 L374	P370-T372 PolarHBondContact O-N 3.4Å; P370-T372 VanDerWaalsContact O-N 3.16Å; T372-L374 PolarHBondContact O-N 2.87Å
373	V	24.6	Very low	25	Very low	119 Å²	119	142.4 Å²	142.4	72%	0.721	80%	0.797	S	S	*	*			trans	-61.4	124.5	169.9	176.3	0	0	0	0	108.8	S371 H375	S371-V373 PolarHBondContact O-N 3.43Å; V373-H375 PolarHBondContact O-N 3.28Å
374	L	23.4	Very low	25	Very low	152 Å²	152	142.4 Å²	142.4	80%	0.796	80%	0.797	S	S	*	*			trans	-71.6	129.4	177.1	-143.9	80.8	0	0	0	109.4	T372 T376	T372-L374 PolarHBondContact O-N 2.87Å; L374-T376 PolarHBondContact O-N 3.13Å
375	H	24.1	Very low	24.9	Very low	179 Å²	179	141 Å²	141	83%	0.829	80%	0.795	S	S	*	*			trans	-73.3	89.4	-178.6	-78.9	-76.1	0	0	0	112.2	V373 F377	V373-H375 PolarHBondContact O-N 3.28Å; H375-F377 PolarHBondContact O-N 2.97Å
376	T	25.7	Very low	24.9	Very low	123 Å²	123	141 Å²	141	76%	0.755	80%	0.798	S	S	*	*			trans	-56.6	130.2	160.9	-54.5	0	0	0	0	109.6	L374 N378	L374-T376 PolarHBondContact O-N 3.13Å; T376-N378 PolarHBondContact O-N 3.4Å; T376-N378 VanDerWaalsContact O-N 3.13Å
377	F	25.6	Very low	24.7	Very low	201 Å²	201	142 Å²	142	88%	0.882	80%	0.796	S	S	*	*	S	Bend	trans	-70.6	105.7	179.1	-100.8	-98.5	0	0	0	111.1	H375	H375-F377 PolarHBondContact O-N 2.97Å
378	N	25.1	Very low	24.9	Very low	148 Å²	148	140.5 Å²	140.5	79%	0.791	79%	0.789	S	S	*	*			trans	-158.6	167.7	165.5	-105.9	-41.3	0	0	0	112.7	T376	T376-N378 PolarHBondContact O-N 3.4Å; T376-N378 VanDerWaalsContact O-N 3.13Å
379	S	23.5	Very low	24.9	Very low	106 Å²	106	140.5 Å²	140.5	74%	0.741	79%	0.789	S	S	*	*			trans	78.3	61.1	165.5	-57.2	0	0	0	0	119.5
380	T	23.5	Very low	25	Very low	143 Å²	143	136.2 Å²	136.2	88%	0.877	78%	0.784	S	S	*	*	S	Bend	trans	-153.1	119.6	131.4	-18	0	0	0	0	107.4
381	I	26.3	Very low	25.5	Very low	138 Å²	138	133.7 Å²	133.7	71%	0.708	78%	0.778	S	S	*	*			cis	-128.4	132.5	23	-64.6	157.3	0	0	0	110.3
382	L	24.1	Very low	25.5	Very low	172 Å²	172	138 Å²	138	90%	0.901	78%	0.783	S	S	*	*			trans	-136.8	93.7	160.1	-81	177.8	0	0	0	109.7
383	T	23.8	Very low	25.8	Very low	110 Å²	110	140 Å²	140	68%	0.675	79%	0.788	S	S	*	*			trans	-114.8	117	164.3	47.8	0	0	0	0	108	V385	T383-V385 PolarHBondContact O-N 2.93Å
384	P	25.4	Very low	26.2	Very low	127 Å²	127	144 Å²	144	83%	0.825	79%	0.791	S	S	*	*			trans	-71.8	115	179.2	28.5	-32.7	0	0	0	109.9	S386	P384-S386 PolarHBondContact O-N 3.4Å; P384-S386 VanDerWaalsContact O-N 3.14Å
385	V	23.7	Very low	26.6	Very low	133 Å²	133	144 Å²	144	81%	0.806	79%	0.791	S	S	*	*			trans	-75	101	164.4	179.7	0	0	0	0	107.1	T383 N387	T383-V385 PolarHBondContact O-N 2.93Å; V385-N387 PolarHBondContact O-N 2.86Å
386	S	25.6	Very low	26.9	Very low	107 Å²	107	142.7 Å²	142.7	75%	0.748	79%	0.79	S	S	*	*			trans	-62.4	115.3	175.7	54.7	0	0	0	0	110.2	P384	P384-S386 PolarHBondContact O-N 3.4Å; P384-S386 VanDerWaalsContact O-N 3.14Å
387	N	24.3	Very low	27.1	Very low	151 Å²	151	144.2 Å²	144.2	81%	0.807	79%	0.792	S	S	*	*			trans	-129.7	106	172.6	-149.2	11.9	0	0	0	109.1	V385	V385-N387 PolarHBondContact O-N 2.86Å
388	N	27	Very low	27.4	Very low	142 Å²	142	141.4 Å²	141.4	76%	0.759	79%	0.787	S	S	*	*			trans	-74.4	128.8	-175.5	-73.5	-32.5	0	0	0	110.7
389	N	25.6	Very low	27.6	Very low	157 Å²	157	139.4 Å²	139.4	84%	0.84	78%	0.784	S	S	*	*			trans	-157.1	46.9	162.6	-106.5	-25.5	0	0	0	113.2	G391	N389-G391 PolarHBondContact O-N 3.13Å
390	S	28.4	Very low	27.8	Very low	109 Å²	109	139.6 Å²	139.6	76%	0.762	79%	0.785	S	S	*	*			trans	-80.2	56.2	170.5	42.6	0	0	0	0	111.8
391	G	32.8	Very low	28	Very low	57 Å²	57	140 Å²	140	59%	0.588	79%	0.788	S	S	*	*			trans	-105.9	17.6	-158.7	0	0	0	0	0	118.4	N389	N389-G391 PolarHBondContact O-N 3.13Å
392	F	30.3	Very low	28	Very low	200 Å²	200	137.9 Å²	137.9	88%	0.877	79%	0.791	S	S	*	*	S	Bend	trans	-135.8	-7.9	-176.8	-127.1	-91.9	0	0	0	117.6
393	L	29.5	Very low	28.2	Very low	166 Å²	166	138.9 Å²	138.9	87%	0.869	79%	0.788	S	S	*	*	S	Bend	trans	-112.8	11	-179.8	-71	175.5	0	0	0	114.5
394	R	32.2	Very low	28.4	Very low	203 Å²	203	139.7 Å²	139.7	77%	0.766	79%	0.793	S	S	*	*	S	Bend	trans	-109.7	-7.8	-177.6	-144.4	170.3	-170.6	156.5	3.5	115.3
395	N	31.3	Very low	28.4	Very low	152 Å²	152	141.7 Å²	141.7	81%	0.813	79%	0.791	S	S	*	*	S	Bend	trans	-95.9	3.9	-178.2	-73.3	5.3	0	0	0	114.3
396	L	31.9	Very low	28.7	Very low	152 Å²	152	142.3 Å²	142.3	80%	0.796	79%	0.79	S	S	*	*	S	Bend	trans	-110.1	3.9	-174.1	-120.6	158.3	0	0	0	114.2
397	L	30.3	Very low	28.7	Very low	154 Å²	154	141.2 Å²	141.2	81%	0.806	80%	0.796	S	S	*	*	S	Bend	trans	-126.9	-0.8	-178	-72.6	172.2	0	0	0	114.9
398	N	31.8	Very low	28.9	Very low	143 Å²	143	141.5 Å²	141.5	77%	0.765	80%	0.797	S	S	*	*			trans	-118.8	63.1	-178	-80.4	-6.4	0	0	0	112.1
399	S	28.3	Very low	29.1	Very low	105 Å²	105	143 Å²	143	73%	0.734	80%	0.797	S	S	*	*			trans	-152.2	42.6	173.3	59.7	0	0	0	0	116.4
400	S	26.8	Very low	29.2	Very low	110 Å²	110	142.5 Å²	142.5	77%	0.769	79%	0.794	S	S	*	*			trans	-165	99.4	163	44.9	0	0	0	0	114.7
401	T	28.1	Very low	29.6	Very low	153 Å²	153	143.9 Å²	143.9	94%	0.939	80%	0.798	S	S	*	*			trans	-171	83.7	153.3	10.2	0	0	0	0	112.6
402	A	26.9	Very low	30.1	Very low	93 Å²	93	146.5 Å²	146.5	77%	0.769	81%	0.805	S	S	*	*			trans	-172.2	117.6	150.5	0	0	0	0	0	113.6
403	K	28	Very low	30.3	Very low	193 Å²	193	145.2 Å²	145.2	84%	0.839	80%	0.799	S	S	*	*			trans	59.1	99.1	140.5	-60.2	-178.6	179	-178.6	0	120.4
404	T	28.4	Very low	30.9	Very low	127 Å²	127	143.3 Å²	143.3	78%	0.779	79%	0.788	S	S	*	*				30.9	122.1	124.6	51.1	0	0	0	0	120.3
405	E	26.1	Very low	31.3	Very low	169 Å²	169	139.5 Å²	139.5	79%	0.79	78%	0.782	S	S	*	*				-164.7	156.3	95.3	-109.5	-169.6	-157.7	0	0	114.2
406	N	28.7	Very low	31.7	Very low	145 Å²	145	137.6 Å²	137.6	78%	0.775	77%	0.772	S	S	*	*			trans	36.8	114.9	151.9	-65.2	-44.3	0	0	0	121.9
407	G	26.5	Very low	32.2	Very low	85 Å²	85	135.7 Å²	135.7	88%	0.876	76%	0.762	S	S	*	*			trans	169.9	126.9	160.9	0	0	0	0	0	114.4
408	L	28.7	Very low	33	Very low	157 Å²	157	132.9 Å²	132.9	82%	0.822	75%	0.747	S	S	*	*			trans	-116.5	130	-175.5	-173.1	80.8	0	0	0	111.9
409	K	30.1	Very low	33.4	Very low	174 Å²	174	133.3 Å²	133.3	76%	0.757	74%	0.743	S	S	*	*			trans	147.3	145.7	135.8	-81.2	177.9	-174.4	179.1	0	115.2
410	N	28.2	Very low	34	Very low	146 Å²	146	131 Å²	131	78%	0.781	73%	0.73	S	S	*	*			trans	68.7	93.6	153.7	-59.7	1.9	0	0	0	120.8
411	T	36.2	Very low	34.5	Very low	138 Å²	138	130.3 Å²	130.3	85%	0.847	73%	0.725	S	S	*	*				-99.6	149.8	126	54.2	0	0	0	0	107.6
412	P	43.5	Very low	34.8	Very low	112 Å²	112	129.5 Å²	129.5	73%	0.727	71%	0.714	S	S	*	*				-148.7	-156.3	80.7	40	-19.2	0	0	0	113.6
413	K	35	Very low	35.4	Very low	173 Å²	173	130.5 Å²	130.5	75%	0.752	71%	0.711	S	S	*	*	S	Bend	trans	74.7	75.5	178.8	-56.5	-169.1	177.6	-169.5	0	116.7
414	I	42.3	Very low	35.7	Very low	126 Å²	126	129.3 Å²	129.3	65%	0.646	71%	0.708	S	S	*	*	S	Bend	trans	-157.4	-18.9	154.8	-143.6	165.4	0	0	0	113.4	I418	I414-I418 WeakPolarHBondContact O-CD1 3.34Å; I414-I418 WeakPolarHBondContact O-CG1 3.48Å
415	L	40.2	Very low	36	Very low	122 Å²	122	131.1 Å²	131.1	64%	0.639	71%	0.713	S	S	*	*	H	α-helix	trans	-83.5	-31.5	-179.8	-65.5	172.1	0	0	0	113	I418 F419	L415-I418 PolarHBondContact O-N 3.44Å; L415-F419 PolarHBondContact O-N 3.43Å
416	D	40.4	Very low	36.4	Very low	112 Å²	112	132.4 Å²	132.4	60%	0.599	72%	0.716	S	S	*	*	H	α-helix	trans	-66.6	-39.8	-178.2	-50.2	-65.3	0	0	0	111.7	I418 F419 A420	D416-I418 VanDerWaalsContact C-N 3.31Å; D416-I418 PolarHBondContact O-N 3.26Å; D416-F419 PolarHBondContact O-N 3.04Å; D416-A420 PolarHBondContact O-N 3.23Å
417	D	42.9	Very low	36.3	Very low	112 Å²	112	132.6 Å²	132.6	60%	0.599	72%	0.722	S	S	*	*	H	α-helix	trans	-66	-32.4	177.9	-58.9	-52.1	0	0	0	112.3	A420 S421	D417-A420 PolarHBondContact O-N 2.96Å; D417-S421 PolarHBondContact O-N 3.12Å
418	I	46.4	Very low	36.4	Very low	95 Å²	95	134.3 Å²	134.3	49%	0.487	72%	0.721	S	S	.	*	H	α-helix	trans	-67.9	-40.9	175.9	-65.1	171	0	0	0	110.5	I414 L415 D416	I414-I418 WeakPolarHBondContact O-CD1 3.34Å; I414-I418 WeakPolarHBondContact O-CG1 3.48Å; L415-I418 PolarHBondContact O-N 3.44Å; D416-I418 VanDerWaalsContact C-N 3.31Å; D416-I418 PolarHBondContact O-N 3.26Å
419	F	39.7	Very low	36.3	Very low	153 Å²	153	132.2 Å²	132.2	67%	0.671	72%	0.719	S	S	*	*	H	α-helix	trans	-69.3	-40.2	174.4	-91.8	-85.3	0	0	0	112.4	L415 D416 S421 L422	L415-F419 PolarHBondContact O-N 3.43Å; D416-F419 PolarHBondContact O-N 3.04Å; F419-S421 VanDerWaalsContact C-N 3.33Å; F419-S421 PolarHBondContact O-N 3.35Å; F419-L422 PolarHBondContact O-N 2.86Å
420	A	40.4	Very low	36.3	Very low	56 Å²	56	131.9 Å²	131.9	46%	0.463	73%	0.726	S	S	.	*	H	α-helix	trans	-59.4	-42.4	176.4	0	0	0	0	0	112.3	D416 D417 L422 V423	D416-A420 PolarHBondContact O-N 3.23Å; D417-A420 PolarHBondContact O-N 2.96Å; A420-L422 PolarHBondContact O-N 2.94Å; A420-V423 PolarHBondContact O-N 3.3Å
421	S	37.1	Very low	36.2	Very low	95 Å²	95	128.8 Å²	128.8	66%	0.664	72%	0.715	S	S	*	*	H	α-helix	trans	-67.4	-17.1	179.2	-172.4	0	0	0	0	114.5	D417 F419	D417-S421 PolarHBondContact O-N 3.12Å; F419-S421 VanDerWaalsContact C-N 3.33Å; F419-S421 PolarHBondContact O-N 3.35Å
422	L	36.2	Very low	35.9	Very low	137 Å²	137	128.3 Å²	128.3	72%	0.717	72%	0.718	S	S	*	*	H	α-helix	trans	-91.6	-10.7	-176.9	-92.9	162.3	0	0	0	114.3	F419 A420	F419-L422 PolarHBondContact O-N 2.86Å; A420-L422 PolarHBondContact O-N 2.94Å
423	V	39.6	Very low	35.2	Very low	114 Å²	114	132 Å²	132	69%	0.691	72%	0.722	S	S	*	*	H	α-helix	trans	-105.1	-21	-170.8	178.7	0	0	0	0	113.7	A420	A420-V423 PolarHBondContact O-N 3.3Å
424	Q	34.2	Very low	34.9	Very low	168 Å²	168	134.2 Å²	134.2	79%	0.785	73%	0.726	S	S	*	*	S	Bend	trans	-90.5	-15.2	-168.4	-67.8	-166.6	-13.4	0	0	116.8	K426	Q424-K426 VanDerWaalsContact C-N 3.34Å; Q424-K426 PolarHBondContact O-N 3.31Å
425	N	33.6	Very low	34.3	Very low	164 Å²	164	134.6 Å²	134.6	88%	0.877	74%	0.737	S	S	*	*			trans	-87.1	63.1	-179.1	-84.3	-20.8	0	0	0	113.3
426	K	34.1	Very low	34.3	Very low	197 Å²	197	137.1 Å²	137.1	86%	0.857	75%	0.745	S	S	*	*			trans	-152.4	69.3	172.7	-150.5	179.5	-171.8	-178	0	115.5	Q424	Q424-K426 VanDerWaalsContact C-N 3.34Å; Q424-K426 PolarHBondContact O-N 3.31Å
427	T	27	Very low	34.5	Very low	149 Å²	149	133.9 Å²	133.9	91%	0.914	74%	0.738	S	S	*	*			trans	-133.6	157.9	161	43.2	0	0	0	0	111.3
428	S	28.3	Very low	34.5	Very low	121 Å²	121	131.8 Å²	131.8	85%	0.846	73%	0.727	S	S	*	*			trans	-98.9	145.6	-159.3	52.1	0	0	0	0	115.8
429	S	27.1	Very low	34.4	Very low	112 Å²	112	133.9 Å²	133.9	78%	0.783	74%	0.744	S	S	*	*			trans	-142.5	125.1	151.6	62.5	0	0	0	0	109.4
430	D	31	Very low	35.1	Very low	167 Å²	167	128.5 Å²	128.5	89%	0.893	72%	0.722	S	S	*	*			trans	-79.5	133.1	-173	-167.1	5.1	0	0	0	112.4
431	S	25.3	Very low	35.5	Very low	81 Å²	81	134.4 Å²	134.4	57%	0.566	74%	0.737	S	S	*	*			trans	-167.5	138	165.7	50.8	0	0	0	0	109.7	K433	S431-K433 PolarHBondContact O-N 3.49Å; S431-K433 VanDerWaalsContact O-N 3.11Å
432	S	30.2	Very low	36.3	Very low	128 Å²	128	133.6 Å²	133.6	90%	0.895	73%	0.73	S	S	*	*			trans	-67.6	107.9	-168.9	43.8	0	0	0	0	113.2
433	K	28.8	Very low	37.1	Very low	189 Å²	189	130 Å²	130	82%	0.822	72%	0.716	S	S	*	*			trans	-97.8	137.8	172.8	-70.2	-177	179.7	177.8	0	111.1	S431	S431-K433 PolarHBondContact O-N 3.49Å; S431-K433 VanDerWaalsContact O-N 3.11Å
434	R	28.9	Very low	37.5	Very low	220 Å²	220	131.5 Å²	131.5	83%	0.83	72%	0.718	S	S	*	*			trans	-64.3	150.7	173.8	-65.7	174.5	178.4	165.5	-3.2	110.1	Q436	R434-Q436 PolarHBondContact O-N 2.96Å
435	P	29.6	Very low	38.5	Very low	134 Å²	134	128 Å²	128	87%	0.87	70%	0.704	S	S	*	*			trans	-63.1	109.8	164.5	28.1	-32.8	0	0	0	108.5
436	Q	39	Very low	39.6	Very low	175 Å²	175	123.3 Å²	123.3	82%	0.818	70%	0.696	S	S	*	*			trans	-104.9	132.9	164.7	-65.4	-177.1	-79.4	0	0	106.5	R434	R434-Q436 PolarHBondContact O-N 2.96Å
437	G	44.2	Very low	41	Very low	44 Å²	44	117.6 Å²	117.6	45%	0.454	67%	0.671	S	S	.	*			trans	-61.6	173.5	176.3	0	0	0	0	0	112.4	T439	G437-T439 PolarHBondContact O-N 3.4Å
438	L	44.3	Very low	43.1	Very low	68 Å²	68	118.6 Å²	118.6	36%	0.356	67%	0.67	S	S	.	*			trans	-44.9	126.4	-174.7	-70.6	161.3	0	0	0	112.7	I440 K671	L438-I440 HydrophobicContact CB-CG1 4.26Å; L438-I440 PolarHBondContact O-N 3.16Å; L438-K671 HydrophobicContact CD1-CB 3.72Å
439	T	44.4	Very low	45.7	Very low	140 Å²	140	113 Å²	113	86%	0.859	63%	0.631	S	S	*	*			trans	-74.5	71.1	179.3	-46.8	0	0	0	0	111.1	G437 K441	G437-T439 PolarHBondContact O-N 3.4Å; T439-K441 PolarHBondContact O-N 3.39Å
440	I	53.3	Low	48.6	Very low	39 Å²	39	110 Å²	110	20%	0.2	61%	0.609	C	S	.	*	P	Polyproline II helix	trans	-69.6	121.9	177.7	-51.5	171	0	0	0	108.5	L438 Y452 Q463	L438-I440 HydrophobicContact CB-CG1 4.26Å; L438-I440 PolarHBondContact O-N 3.16Å; I440-Y452 HydrophobicContact CB-CG 4.24Å; I440-Y452 HydrophobicContact CD1-CD1 4.36Å; I440-Y452 HydrophobicContact CD1-CD2 3.47Å; I440-Y452 VanDerWaalsContact CD1-CD2 3.47Å; I440-Y452 HydrophobicContact CD1-CE1 4.46Å; I440-Y452 HydrophobicContact CD1-CE2 3.57Å; I440-Y452 HydrophobicContact CD1-CG 3.89Å; I440-Y452 VanDerWaalsContact CG2-CB 3.46Å; I440-Y452 HydrophobicContact CG2-CD2 4.23Å; I440-Y452 HydrophobicContact CG2-CG 3.99Å; I440-Q463 PolarHBondContact O-NE2 3.04Å
441	K	49.4	Very low	51.4	Low	181 Å²	181	102 Å²	102	79%	0.787	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-66.5	140.4	-178.9	-69.1	-178.2	177.9	178.8	0	110.8	T439	T439-K441 PolarHBondContact O-N 3.39Å
442	P	53.1	Low	54.5	Low	78 Å²	78	98.8 Å²	98.8	51%	0.506	54%	0.542	S	S	.	.	P	Polyproline II helix	trans	-67.2	135.9	177.4	27.6	-34.2	0	0	0	111.8	H451	P442-H451 WeakPolarHBondContact CA-O 3.39Å
443	S	52.9	Low	57.5	Low	60 Å²	60	94.3 Å²	94.3	42%	0.42	51%	0.505	S	S	.	.			trans	-85.6	114.9	172.7	-172.2	0	0	0	0	109.2	L445 H451	S443-L445 PolarHBondContact O-N 3.19Å; S443-H451 PolarHBondContact O-CE1 2.93Å; S443-H451 PolarHBondContact O-NE2 3.34Å
444	I	49.1	Very low	60.6	Low	146 Å²	146	85.5 Å²	85.5	75%	0.749	47%	0.467	S	S	*	.			trans	-81.4	89.3	-170.6	-56.8	177.1	0	0	0	110.5	G446	I444-G446 PolarHBondContact O-N 2.87Å
445	L	54.7	Low	63.7	Low	94 Å²	94	75.2 Å²	75.2	49%	0.492	43%	0.429	S	S	.	.	S	Bend	trans	-80.1	24.1	168.3	-133.9	161.9	0	0	0	112.1	S443 F447 W453	S443-L445 PolarHBondContact O-N 3.19Å; L445-F447 HydrophobicContact CB-CD2 4.25Å; L445-F447 HydrophobicContact CD2-CE2 4.45Å; L445-F447 VanDerWaalsContact O-CD2 3.26Å; L445-F447 WeakPolarHBondContact O-CD2 3.4Å; L445-F447 WeakPolarHBondContact O-CE2 3.47Å; L445-W453 HydrophobicContact CD1-CH2 4.37Å; L445-W453 HydrophobicContact CD1-CZ2 3.72Å
446	G	57.2	Low	66.5	Low	67 Å²	67	74.5 Å²	74.5	69%	0.691	42%	0.418	S	S	*	.	S	Bend	trans	80.7	8.8	-174.5	0	0	0	0	0	115.5	I444	I444-G446 PolarHBondContact O-N 2.87Å
447	F	62.6	Low	68.9	Low	76 Å²	76	72 Å²	72	33%	0.333	41%	0.411	S	S	.	.			trans	-122.7	139	-178.5	-55.4	-75.1	0	0	0	112	L445 T449 N472 V473	L445-F447 HydrophobicContact CB-CD2 4.25Å; L445-F447 HydrophobicContact CD2-CE2 4.45Å; L445-F447 VanDerWaalsContact O-CD2 3.26Å; L445-F447 WeakPolarHBondContact O-CD2 3.4Å; L445-F447 WeakPolarHBondContact O-CE2 3.47Å; F447-T449 PolarHBondContact O-N 3.21Å; F447-T449 VanDerWaalsContact O-N 3.16Å; F447-N472 HydrophobicContact CD1-CB 4.17Å; F447-N472 HydrophobicContact CE1-CB 4.18Å; F447-V473 HydrophobicContact CB-CG2 3.95Å; F447-V473 HydrophobicContact CD2-CG2 3.86Å; F447-V473 HydrophobicContact CG-CG2 4.05Å
448	D	72.4	Confident	71.3	Confident	170 Å²	170	73 Å²	73	91%	0.909	40%	0.401	S	S	*	.			trans	-77.1	11.4	177.4	-58	-46.9	0	0	0	114.3	P450	D448-P450 WeakPolarHBondContact O-CD 3.39Å
449	T	82.8	Confident	73.8	Confident	4 Å²	4	69.8 Å²	69.8	3%	0.025	38%	0.384	C	S	.	.			trans	-76	122.4	-179.8	-58.7	0	0	0	0	110.6	F447 H451 L462 S469 N470 V473	F447-T449 PolarHBondContact O-N 3.21Å; F447-T449 VanDerWaalsContact O-N 3.16Å; T449-H451 PolarHBondContact O-N 2.97Å; T449-H451 VanDerWaalsContact O-N 3.1Å; T449-H451 PolarHBondContact O-ND1 3.45Å; T449-L462 HydrophobicContact CG2-CD2 3.99Å; T449-S469 WeakPolarHBondContact OG1-CB 3.33Å; T449-S469 PolarHBondContact OG1-O 3.11Å; T449-S469 VanDerWaalsContact OG1-O 3.05Å; T449-N470 WeakPolarHBondContact CG2-OD1 3.27Å; T449-V473 HydrophobicContact CG2-CG2 4.22Å
450	P	87.3	Confident	76.3	Confident	48 Å²	48	63.1 Å²	63.1	31%	0.312	34%	0.343	S	S	.	.			trans	-64.5	109.4	177.1	-22.2	35.1	0	0	0	112.1	D448 Q463 N467	D448-P450 WeakPolarHBondContact O-CD 3.39Å; P450-Q463 HydrophobicContact CB-CB 4.27Å; P450-Q463 PolarHBondContact O-N 3.06Å; P450-Q463 VanDerWaalsContact O-N 3.09Å; P450-N467 VanDerWaalsContact CD-ND2 3.26Å; P450-N467 WeakPolarHBondContact CD-ND2 3.28Å
451	H	90.6	Very high	78.4	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.005	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	156.9	-178.1	76.4	-79.7	0	0	0	111.3	P442 S443 T449 W453 L460 C461 L462	P442-H451 WeakPolarHBondContact CA-O 3.39Å; S443-H451 PolarHBondContact O-CE1 2.93Å; S443-H451 PolarHBondContact O-NE2 3.34Å; T449-H451 PolarHBondContact O-N 2.97Å; T449-H451 VanDerWaalsContact O-N 3.1Å; T449-H451 PolarHBondContact O-ND1 3.45Å; H451-W453 AromaticContact CD2-CD1 3.97Å; H451-W453 AromaticContact CD2-CE2 3.96Å; H451-W453 AromaticContact CD2-NE1 3.27Å; H451-W453 PolarHBondContact CD2-NE1 3.27Å; H451-W453 VanDerWaalsContact CD2-NE1 3.27Å; H451-W453 AromaticContact NE2-CE2 3.97Å; H451-W453 AromaticContact NE2-NE1 3.19Å; H451-W453 PolarHBondContact NE2-NE1 3.03Å; H451-W453 VanDerWaalsContact NE2-NE1 3.19Å; H451-L460 HydrophobicContact CB-CD1 3.91Å; H451-L460 WeakPolarHBondContact CD2-CD1 3.36Å; H451-C461 CarbonylContact C-O 3.47Å; H451-C461 VanDerWaalsContact CA-O 3.24Å; H451-C461 WeakPolarHBondContact CA-O 3.29Å; H451-C461 WeakPolarHBondContact CB-O 3.38Å; H451-L462 HydrophobicContact CB-CD2 3.89Å
452	Y	90.7	Very high	80.6	Confident	12 Å²	12	52.7 Å²	52.7	5%	0.047	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	-176	171.5	65.2	-77	0	0	0	109.8	I440 L454 C461 Q463	I440-Y452 HydrophobicContact CB-CG 4.24Å; I440-Y452 HydrophobicContact CD1-CD1 4.36Å; I440-Y452 HydrophobicContact CD1-CD2 3.47Å; I440-Y452 VanDerWaalsContact CD1-CD2 3.47Å; I440-Y452 HydrophobicContact CD1-CE1 4.46Å; I440-Y452 HydrophobicContact CD1-CE2 3.57Å; I440-Y452 HydrophobicContact CD1-CG 3.89Å; I440-Y452 VanDerWaalsContact CG2-CB 3.46Å; I440-Y452 HydrophobicContact CG2-CD2 4.23Å; I440-Y452 HydrophobicContact CG2-CG 3.99Å; Y452-L454 HydrophobicContact CD2-CD2 4.22Å; Y452-L454 HydrophobicContact CD2-CG 4.15Å; Y452-L454 HydrophobicContact CE2-CD1 3.95Å; Y452-L454 HydrophobicContact CE2-CD2 3.82Å; Y452-L454 HydrophobicContact CE2-CG 3.67Å; Y452-C461 HydrophobicContact CD1-CB 3.8Å; Y452-C461 WeakPolarHBondContact CD1-O 3.5Å; Y452-C461 HydrophobicContact CD2-CB 3.88Å; Y452-C461 HydrophobicContact CE1-CB 3.53Å; Y452-C461 HydrophobicContact CE2-CB 3.62Å; Y452-C461 HydrophobicContact CG-CB 3.97Å; Y452-C461 VanDerWaalsContact CZ-CB 3.44Å; Y452-C461 PolarHBondContact N-O 3.47Å; Y452-C461 PolarHBondContact O-N 3.21Å; Y452-Q463 HydrophobicContact CD1-CG 3.54Å; Y452-Q463 HydrophobicContact CE1-CG 3.76Å
453	W	92.9	Very high	82.3	Confident	34 Å²	34	52.1 Å²	52.1	13%	0.129	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	143.7	-179.6	-60.5	75.9	0	0	0	111.4	L445 H451 N457 L459 L460 C477	L445-W453 HydrophobicContact CD1-CH2 4.37Å; L445-W453 HydrophobicContact CD1-CZ2 3.72Å; H451-W453 AromaticContact CD2-CD1 3.97Å; H451-W453 AromaticContact CD2-CE2 3.96Å; H451-W453 AromaticContact CD2-NE1 3.27Å; H451-W453 PolarHBondContact CD2-NE1 3.27Å; H451-W453 VanDerWaalsContact CD2-NE1 3.27Å; H451-W453 AromaticContact NE2-CE2 3.97Å; H451-W453 AromaticContact NE2-NE1 3.19Å; H451-W453 PolarHBondContact NE2-NE1 3.03Å; H451-W453 VanDerWaalsContact NE2-NE1 3.19Å; W453-N457 HydrophobicContact CB-CB 4.37Å; W453-L459 CarbonylContact C-O 3.6Å; W453-L459 WeakPolarHBondContact CA-O 3.49Å; W453-L460 HydrophobicContact CE3-CB 4.33Å; W453-L460 HydrophobicContact CH2-CB 4.09Å; W453-L460 HydrophobicContact CH2-CD1 4.38Å; W453-L460 HydrophobicContact CZ2-CB 4.49Å; W453-L460 HydrophobicContact CZ2-CD1 3.97Å; W453-L460 HydrophobicContact CZ3-CB 4Å; W453-C477 VanDerWaalsContact CH2-SG 3.59Å
454	L	94	Very high	84.1	Confident	4 Å²	4	52.1 Å²	52.1	2%	0.021	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	-177.6	175	-68.7	179.4	0	0	0	110.3	Y452 D456 N457 R458 L459 C461 M485 L668	Y452-L454 HydrophobicContact CD2-CD2 4.22Å; Y452-L454 HydrophobicContact CD2-CG 4.15Å; Y452-L454 HydrophobicContact CE2-CD1 3.95Å; Y452-L454 HydrophobicContact CE2-CD2 3.82Å; Y452-L454 HydrophobicContact CE2-CG 3.67Å; L454-D456 VanDerWaalsContact C-N 3.35Å; L454-D456 PolarHBondContact O-N 3.17Å; L454-N457 PolarHBondContact O-N 3.43Å; L454-R458 PolarHBondContact O-N 2.96Å; L454-L459 HydrophobicContact CB-CB 4.23Å; L454-L459 HydrophobicContact CB-CD2 4.17Å; L454-L459 PolarHBondContact N-O 2.86Å; L454-L459 PolarHBondContact O-N 2.94Å; L454-C461 VanDerWaalsContact CD1-SG 3.57Å; L454-C461 VanDerWaalsContact CG-SG 3.56Å; L454-M485 HydrophobicContact CD1-CE 3.69Å; L454-L668 HydrophobicContact CD2-CB 3.58Å; L454-L668 HydrophobicContact CD2-CD1 4.28Å
455	C	93.5	Very high	86.3	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.034	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	47.3	179.1	-46.4	0	0	0	0	113	R458 L459 D666 A742	C455-R458 HydrophobicContact CB-CB 4.45Å; C455-R458 VanDerWaalsContact O-CB 3.27Å; C455-R458 WeakPolarHBondContact O-CB 3.27Å; C455-R458 VanDerWaalsContact O-CG 3.31Å; C455-R458 WeakPolarHBondContact O-CG 3.07Å; C455-R458 PolarHBondContact O-N 3.29Å; C455-R458 PolarHBondContact O-NE 3.23Å; C455-L459 HydrophobicContact CB-CB 4.11Å; C455-D666 PolarHBondContact N-OD2 3.13Å; C455-A742 PolarHBondContact SG-O 3.02Å
456	D	87.5	Confident	88	Confident	118 Å²	118	45.3 Å²	45.3	63%	0.631	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	45.1	-177.7	-44.1	-56.7	0	0	0	114.3	L454 R458	L454-D456 VanDerWaalsContact C-N 3.35Å; L454-D456 PolarHBondContact O-N 3.17Å; D456-R458 VanDerWaalsContact C-N 3.33Å; D456-R458 PolarHBondContact O-N 3.17Å
457	N	89.8	Confident	89.6	Confident	124 Å²	124	44 Å²	44	66%	0.663	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	27.7	-174.6	-53.8	-67.4	0	0	0	114.7	W453 L454	W453-N457 HydrophobicContact CB-CB 4.37Å; L454-N457 PolarHBondContact O-N 3.43Å
458	R	94.7	Very high	90.8	Very high	65 Å²	65	49 Å²	49	25%	0.245	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-13.4	-179.5	-56.5	-179.5	-64.2	125	-1.1	114.8	L454 C455 D456 G740 W741	L454-R458 PolarHBondContact O-N 2.96Å; C455-R458 HydrophobicContact CB-CB 4.45Å; C455-R458 VanDerWaalsContact O-CB 3.27Å; C455-R458 WeakPolarHBondContact O-CB 3.27Å; C455-R458 VanDerWaalsContact O-CG 3.31Å; C455-R458 WeakPolarHBondContact O-CG 3.07Å; C455-R458 PolarHBondContact O-N 3.29Å; C455-R458 PolarHBondContact O-NE 3.23Å; D456-R458 VanDerWaalsContact C-N 3.33Å; D456-R458 PolarHBondContact O-N 3.17Å; R458-G740 PolarHBondContact NH1-O 3.22Å; R458-G740 PolarHBondContact NH2-O 2.59Å; R458-W741 PolarHBondContact O-NE1 3.14Å
459	L	97.1	Very high	91.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	122.2	175.9	179.4	67.8	0	0	0	109.5	W453 L454 C455 P483 M485 I743	W453-L459 CarbonylContact C-O 3.6Å; W453-L459 WeakPolarHBondContact CA-O 3.49Å; L454-L459 HydrophobicContact CB-CB 4.23Å; L454-L459 HydrophobicContact CB-CD2 4.17Å; L454-L459 PolarHBondContact N-O 2.86Å; L454-L459 PolarHBondContact O-N 2.94Å; C455-L459 HydrophobicContact CB-CB 4.11Å; L459-P483 HydrophobicContact CD1-CB 4.25Å; L459-P483 HydrophobicContact CD1-CG 4.08Å; L459-P483 WeakPolarHBondContact CD1-O 3.42Å; L459-M485 HydrophobicContact CD2-CB 4.38Å; L459-I743 HydrophobicContact CD1-CD1 3.91Å; L459-I743 HydrophobicContact CD2-CB 4.49Å; L459-I743 HydrophobicContact CD2-CD1 3.82Å; L459-I743 HydrophobicContact CD2-CG1 3.94Å; L459-I743 HydrophobicContact CD2-CG2 3.86Å
460	L	96.5	Very high	92.1	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	134	171.3	171.5	65.8	0	0	0	110.1	H451 W453 L462 V473 C477 V484 M485	H451-L460 HydrophobicContact CB-CD1 3.91Å; H451-L460 WeakPolarHBondContact CD2-CD1 3.36Å; W453-L460 HydrophobicContact CE3-CB 4.33Å; W453-L460 HydrophobicContact CH2-CB 4.09Å; W453-L460 HydrophobicContact CH2-CD1 4.38Å; W453-L460 HydrophobicContact CZ2-CB 4.49Å; W453-L460 HydrophobicContact CZ2-CD1 3.97Å; W453-L460 HydrophobicContact CZ3-CB 4Å; L460-L462 HydrophobicContact CD1-CD2 4.31Å; L460-L462 HydrophobicContact CD2-CD2 4.28Å; L460-L462 HydrophobicContact CD2-CG 4.36Å; L460-L462 HydrophobicContact CG-CD2 4.41Å; L460-L462 HydrophobicContact CG-CG 4.37Å; L460-V473 HydrophobicContact CD1-CG1 3.84Å; L460-V473 HydrophobicContact CD2-CB 4.22Å; L460-V473 HydrophobicContact CD2-CG1 3.92Å; L460-C477 HydrophobicContact CD2-CB 4.38Å; L460-V484 HydrophobicContact CB-CG1 4.03Å; L460-V484 HydrophobicContact CB-CG2 4.33Å; L460-V484 HydrophobicContact CD2-CG1 3.79Å; L460-V484 HydrophobicContact CD2-CG2 4.3Å; L460-V484 HydrophobicContact CG-CG1 3.88Å; L460-M485 PolarHBondContact O-N 3.49Å
461	C	96.7	Very high	92.2	Very high	1 Å²	1	45 Å²	45	1%	0.007	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	106.5	178.1	-55.1	0	0	0	0	110.9	H451 Y452 L454 M485	H451-C461 CarbonylContact C-O 3.47Å; H451-C461 VanDerWaalsContact CA-O 3.24Å; H451-C461 WeakPolarHBondContact CA-O 3.29Å; H451-C461 WeakPolarHBondContact CB-O 3.38Å; Y452-C461 HydrophobicContact CD1-CB 3.8Å; Y452-C461 WeakPolarHBondContact CD1-O 3.5Å; Y452-C461 HydrophobicContact CD2-CB 3.88Å; Y452-C461 HydrophobicContact CE1-CB 3.53Å; Y452-C461 HydrophobicContact CE2-CB 3.62Å; Y452-C461 HydrophobicContact CG-CB 3.97Å; Y452-C461 VanDerWaalsContact CZ-CB 3.44Å; Y452-C461 PolarHBondContact N-O 3.47Å; Y452-C461 PolarHBondContact O-N 3.21Å; L454-C461 VanDerWaalsContact CD1-SG 3.57Å; L454-C461 VanDerWaalsContact CG-SG 3.56Å; C461-M485 WeakPolarHBondContact CA-O 3.36Å; C461-M485 HydrophobicContact CB-CE 4.44Å
462	L	95.8	Very high	92	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	130.8	180	-63.1	171.5	0	0	0	110.5	T449 H451 L460 N470 F474 V484 M485 V486 S487	T449-L462 HydrophobicContact CG2-CD2 3.99Å; H451-L462 HydrophobicContact CB-CD2 3.89Å; L460-L462 HydrophobicContact CD1-CD2 4.31Å; L460-L462 HydrophobicContact CD2-CD2 4.28Å; L460-L462 HydrophobicContact CD2-CG 4.36Å; L460-L462 HydrophobicContact CG-CD2 4.41Å; L460-L462 HydrophobicContact CG-CG 4.37Å; L462-N470 HydrophobicContact CD1-CB 3.88Å; L462-F474 HydrophobicContact CD1-CB 4.42Å; L462-V484 HydrophobicContact CD1-CG1 4.43Å; L462-M485 PolarHBondContact N-O 2.94Å; L462-V486 HydrophobicContact CB-CB 4.49Å; L462-V486 HydrophobicContact CB-CG1 4.2Å; L462-V486 HydrophobicContact CB-CG2 4.18Å; L462-V486 HydrophobicContact CD1-CG2 4Å; L462-S487 PolarHBondContact O-N 2.99Å; L462-S487 PolarHBondContact O-OG 3Å
463	Q	90.3	Very high	92	Very high	65 Å²	65	46.4 Å²	46.4	30%	0.304	23%	0.229	S	C	.	.	S	Bend	trans	-90	-28.5	-167.8	-69.7	173.3	-40	0	0	115	I440 P450 Y452	I440-Q463 PolarHBondContact O-NE2 3.04Å; P450-Q463 HydrophobicContact CB-CB 4.27Å; P450-Q463 PolarHBondContact O-N 3.06Å; P450-Q463 VanDerWaalsContact O-N 3.09Å; Y452-Q463 HydrophobicContact CD1-CG 3.54Å; Y452-Q463 HydrophobicContact CE1-CG 3.76Å
464	D	90.9	Very high	92.1	Very high	61 Å²	61	44.8 Å²	44.8	33%	0.326	22%	0.223	S	C	.	.			trans	-120	113.9	177.2	170.6	18.2	0	0	0	109.4	N466 N467 N470	D464-N466 PolarHBondContact O-N 2.97Å; D464-N466 PolarHBondContact OD1-N 3.01Å; D464-N467 HydrophobicContact CB-CB 4.14Å; D464-N467 PolarHBondContact O-N 3.27Å; D464-N467 PolarHBondContact OD2-N 3.1Å; D464-N470 PolarHBondContact O-ND2 3.15Å
465	P	93.7	Very high	92.1	Very high	10 Å²	10	46 Å²	46	7%	0.065	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.6	-178.1	26.2	-33.6	0	0	0	113.4	V486 V489 P580	P465-V486 HydrophobicContact CB-CG1 3.85Å; P465-V489 HydrophobicContact CB-CG2 3.59Å; P465-V489 HydrophobicContact CG-CG2 3.98Å; P465-P580 HydrophobicContact CB-CB 3.99Å
466	N	90.4	Very high	92	Very high	86 Å²	86	49.7 Å²	49.7	46%	0.46	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0	-175	-68.1	24.6	0	0	0	113	D464 K468	D464-N466 PolarHBondContact O-N 2.97Å; D464-N466 PolarHBondContact OD1-N 3.01Å; N466-K468 PolarHBondContact O-N 2.9Å
467	N	91.4	Very high	92.3	Very high	39 Å²	39	44.3 Å²	44.3	21%	0.209	22%	0.215	C	C	.	.			trans	-71.2	115.3	-178.4	-170.6	-38.5	0	0	0	111.3	P450 D464 S469 N470	P450-N467 VanDerWaalsContact CD-ND2 3.26Å; P450-N467 WeakPolarHBondContact CD-ND2 3.28Å; D464-N467 HydrophobicContact CB-CB 4.14Å; D464-N467 PolarHBondContact O-N 3.27Å; D464-N467 PolarHBondContact OD2-N 3.1Å; N467-S469 PolarHBondContact O-N 3.04Å; N467-S469 WeakPolarHBondContact OD1-CB 3.22Å; N467-S469 PolarHBondContact OD1-N 3.14Å; N467-N470 VanDerWaalsContact O-CB 3.22Å; N467-N470 WeakPolarHBondContact O-CB 3.21Å; N467-N470 PolarHBondContact O-N 3.09Å; N467-N470 PolarHBondContact O-ND2 2.78Å
468	K	88.8	Confident	92.7	Very high	182 Å²	182	38.4 Å²	38.4	79%	0.791	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-10.2	-177.9	-59.8	-176.2	-178.8	-179.2	0	114.6	N466 W471	N466-K468 PolarHBondContact O-N 2.9Å; K468-W471 PolarHBondContact O-NE1 2.76Å; K468-W471 VanDerWaalsContact O-NE1 3.13Å
469	S	89.4	Confident	92.7	Very high	53 Å²	53	39.7 Å²	39.7	37%	0.371	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-0.6	175.5	-61	0	0	0	0	113.6	T449 N467 W471 N472	T449-S469 WeakPolarHBondContact OG1-CB 3.33Å; T449-S469 PolarHBondContact OG1-O 3.11Å; T449-S469 VanDerWaalsContact OG1-O 3.05Å; N467-S469 PolarHBondContact O-N 3.04Å; N467-S469 WeakPolarHBondContact OD1-CB 3.22Å; N467-S469 PolarHBondContact OD1-N 3.14Å; S469-W471 VanDerWaalsContact C-N 3.29Å; S469-W471 PolarHBondContact O-N 2.93Å; S469-N472 WeakPolarHBondContact O-CB 3.45Å; S469-N472 PolarHBondContact O-N 3.24Å; S469-N472 PolarHBondContact O-ND2 3.29Å
470	N	92.9	Very high	92.6	Very high	4 Å²	4	46 Å²	46	2%	0.021	22%	0.221	C	C	.	.	H	α-helix	trans	-55.3	-40.5	178.8	-81.4	-13.9	0	0	0	113.3	T449 L462 D464 N467 N472 V473 F474 L581	T449-N470 WeakPolarHBondContact CG2-OD1 3.27Å; L462-N470 HydrophobicContact CD1-CB 3.88Å; D464-N470 PolarHBondContact O-ND2 3.15Å; N467-N470 VanDerWaalsContact O-CB 3.22Å; N467-N470 WeakPolarHBondContact O-CB 3.21Å; N467-N470 PolarHBondContact O-N 3.09Å; N467-N470 PolarHBondContact O-ND2 2.78Å; N470-N472 PolarHBondContact O-N 2.94Å; N470-N472 VanDerWaalsContact O-N 3.14Å; N470-V473 PolarHBondContact O-N 2.81Å; N470-F474 WeakPolarHBondContact O-CB 3.45Å; N470-F474 PolarHBondContact O-N 3.37Å; N470-F474 VanDerWaalsContact O-N 3.09Å; N470-L581 HydrophobicContact CB-CD2 3.82Å
471	W	89.3	Confident	92.5	Very high	82 Å²	82	46.9 Å²	46.9	31%	0.311	23%	0.229	S	C	.	.	H	α-helix	trans	-62.3	-23	-176.8	68	-98.2	0	0	0	113.4	K468 S469 R475 L581 Y584	K468-W471 PolarHBondContact O-NE1 2.76Å; K468-W471 VanDerWaalsContact O-NE1 3.13Å; S469-W471 VanDerWaalsContact C-N 3.29Å; S469-W471 PolarHBondContact O-N 2.93Å; W471-R475 VanDerWaalsContact CZ3-NH1 3.28Å; W471-R475 WeakPolarHBondContact O-CB 3.33Å; W471-R475 PolarHBondContact O-N 2.95Å; W471-R475 VanDerWaalsContact O-N 3.07Å; W471-L581 HydrophobicContact CB-CD2 3.99Å; W471-Y584 HydrophobicContact CB-CE2 4.32Å
472	N	86.4	Confident	92.6	Very high	40 Å²	40	48.4 Å²	48.4	21%	0.214	24%	0.237	C	C	.	.	H	α-helix	trans	-63.3	-54.3	177.6	-65.4	-62.3	0	0	0	111.4	F447 S469 N470	F447-N472 HydrophobicContact CD1-CB 4.17Å; F447-N472 HydrophobicContact CE1-CB 4.18Å; S469-N472 WeakPolarHBondContact O-CB 3.45Å; S469-N472 PolarHBondContact O-N 3.24Å; S469-N472 PolarHBondContact O-ND2 3.29Å; N470-N472 PolarHBondContact O-N 2.94Å; N470-N472 VanDerWaalsContact O-N 3.14Å
473	V	89.5	Confident	92.7	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	24%	0.237	C	C	.	.	H	α-helix	trans	-78.1	-38	-176.1	-162.5	0	0	0	0	110.8	F447 T449 L460 N470 R475 E476 C477	F447-V473 HydrophobicContact CB-CG2 3.95Å; F447-V473 HydrophobicContact CD2-CG2 3.86Å; F447-V473 HydrophobicContact CG-CG2 4.05Å; T449-V473 HydrophobicContact CG2-CG2 4.22Å; L460-V473 HydrophobicContact CD1-CG1 3.84Å; L460-V473 HydrophobicContact CD2-CB 4.22Å; L460-V473 HydrophobicContact CD2-CG1 3.92Å; N470-V473 PolarHBondContact O-N 2.81Å; V473-R475 VanDerWaalsContact C-N 3.33Å; V473-R475 PolarHBondContact O-N 3.25Å; V473-E476 PolarHBondContact O-N 3.15Å; V473-C477 PolarHBondContact O-SG 3.04Å; V473-C477 VanDerWaalsContact O-SG 3.38Å
474	F	95.4	Very high	93.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-52	-51.2	172.4	170.3	-100.2	0	0	0	111.5	L462 N470 E476 C477 W478 V484 L581 Y584 F752	L462-F474 HydrophobicContact CD1-CB 4.42Å; N470-F474 WeakPolarHBondContact O-CB 3.45Å; N470-F474 PolarHBondContact O-N 3.37Å; N470-F474 VanDerWaalsContact O-N 3.09Å; F474-E476 VanDerWaalsContact C-N 3.33Å; F474-E476 PolarHBondContact O-N 2.65Å; F474-C477 PolarHBondContact O-N 2.91Å; F474-C477 VanDerWaalsContact O-N 3.12Å; F474-W478 HydrophobicContact CD1-CB 4.28Å; F474-W478 HydrophobicContact CE1-CB 3.96Å; F474-W478 HydrophobicContact CE1-CD2 4.02Å; F474-W478 AromaticContact CE1-CG 3.73Å; F474-W478 HydrophobicContact CE1-CG 3.73Å; F474-W478 HydrophobicContact CE2-CB 4.45Å; F474-W478 AromaticContact CE2-CD2 3.85Å; F474-W478 HydrophobicContact CE2-CD2 3.85Å; F474-W478 AromaticContact CE2-CE3 3.58Å; F474-W478 HydrophobicContact CE2-CE3 3.58Å; F474-W478 HydrophobicContact CE2-CG 4.26Å; F474-W478 HydrophobicContact CE2-CZ3 4.07Å; F474-W478 HydrophobicContact CZ-CB 4.05Å; F474-W478 AromaticContact CZ-CD2 3.34Å; F474-W478 HydrophobicContact CZ-CD2 3.34Å; F474-W478 AromaticContact CZ-CE2 3.77Å; F474-W478 AromaticContact CZ-CE3 3.59Å; F474-W478 HydrophobicContact CZ-CE3 3.59Å; F474-W478 AromaticContact CZ-CG 3.58Å; F474-W478 HydrophobicContact CZ-CG 3.58Å; F474-W478 HydrophobicContact CZ-CH2 4.49Å; F474-W478 HydrophobicContact CZ-CZ2 4.32Å; F474-W478 HydrophobicContact CZ-CZ3 4.17Å; F474-W478 WeakPolarHBondContact O-CB 3.36Å; F474-W478 PolarHBondContact O-N 3.01Å; F474-V484 HydrophobicContact CD2-CB 3.91Å; F474-V484 HydrophobicContact CD2-CG1 3.95Å; F474-V484 HydrophobicContact CD2-CG2 3.79Å; F474-V484 HydrophobicContact CE2-CB 4.12Å; F474-V484 HydrophobicContact CE2-CG2 4.09Å; F474-L581 HydrophobicContact CB-CD1 4.02Å; F474-L581 HydrophobicContact CB-CD2 4.11Å; F474-L581 HydrophobicContact CD1-CD1 3.91Å; F474-L581 HydrophobicContact CD1-CD2 4.3Å; F474-L581 HydrophobicContact CD2-CD1 3.28Å; F474-L581 HydrophobicContact CE1-CD1 4.18Å; F474-L581 HydrophobicContact CE2-CD1 3.6Å; F474-L581 HydrophobicContact CG-CD1 3.46Å; F474-L581 VanDerWaalsContact CG-CD1 3.46Å; F474-L581 HydrophobicContact CG-CD2 4.16Å; F474-L581 HydrophobicContact CG-CG 4.48Å; F474-L581 HydrophobicContact CZ-CD1 4.03Å; F474-Y584 HydrophobicContact CD1-CD2 4.22Å; F474-Y584 AromaticContact CD1-CE2 3.94Å; F474-Y584 HydrophobicContact CD1-CE2 3.94Å; F474-Y584 HydrophobicContact CE1-CD1 4.12Å; F474-Y584 AromaticContact CE1-CD2 3.92Å; F474-Y584 HydrophobicContact CE1-CD2 3.92Å; F474-Y584 HydrophobicContact CE1-CE1 4.08Å; F474-Y584 AromaticContact CE1-CE2 3.88Å; F474-Y584 HydrophobicContact CE1-CE2 3.88Å; F474-Y584 HydrophobicContact CE1-CG 4.03Å; F474-Y584 AromaticContact CE1-CZ 3.96Å; F474-F752 HydrophobicContact CE2-CB 4.26Å; F474-F752 AromaticContact CE2-CD1 3.85Å; F474-F752 HydrophobicContact CE2-CD1 3.85Å; F474-F752 HydrophobicContact CE2-CE1 4.42Å; F474-F752 HydrophobicContact CE2-CG 4.07Å; F474-F752 HydrophobicContact CZ-CD1 4.1Å
475	R	93.1	Very high	93.4	Very high	30 Å²	30	42.5 Å²	42.5	11%	0.113	21%	0.207	C	C	.	.	H	α-helix	trans	-57.6	-40.7	-174.4	175	176.3	-70	169.4	7.3	113.5	Y128 W471 V473 C477 W478 K479 Y584 E778	Y128-R475 WeakPolarHBondContact OH-CD 3.3Å; Y128-R475 WeakPolarHBondContact OH-CG 3.38Å; Y128-R475 PolarHBondContact OH-NE 2.95Å; W471-R475 VanDerWaalsContact CZ3-NH1 3.28Å; W471-R475 WeakPolarHBondContact O-CB 3.33Å; W471-R475 PolarHBondContact O-N 2.95Å; W471-R475 VanDerWaalsContact O-N 3.07Å; V473-R475 VanDerWaalsContact C-N 3.33Å; V473-R475 PolarHBondContact O-N 3.25Å; R475-C477 VanDerWaalsContact C-N 3.32Å; R475-C477 PolarHBondContact O-N 3.06Å; R475-W478 PolarHBondContact O-N 2.83Å; R475-K479 HydrophobicContact CG-CD 4.07Å; R475-K479 HydrophobicContact CG-CG 4.39Å; R475-K479 WeakPolarHBondContact O-CB 3.38Å; R475-K479 WeakPolarHBondContact O-CD 3.27Å; R475-K479 VanDerWaalsContact O-CG 3.23Å; R475-K479 WeakPolarHBondContact O-CG 3.29Å; R475-K479 PolarHBondContact O-N 3.3Å; R475-Y584 PolarHBondContact NE-OH 2.87Å; R475-Y584 PolarHBondContact NH2-OH 3Å; R475-E778 IonicContact NE-OE1 2.7Å
476	E	91.4	Very high	93.6	Very high	81 Å²	81	42 Å²	42	38%	0.379	20%	0.204	S	C	.	.	H	α-helix	trans	-72.3	-27	-178.5	-55.8	-43.6	123.2	0	0	112.7	V473 F474 K479 Q480	V473-E476 PolarHBondContact O-N 3.15Å; F474-E476 VanDerWaalsContact C-N 3.33Å; F474-E476 PolarHBondContact O-N 2.65Å; E476-K479 IonicContact OE1-NZ 2.69Å; E476-K479 PolarHBondContact OE1-NZ 3.43Å; E476-K479 WeakPolarHBondContact OE2-CD 3.49Å; E476-K479 IonicContact OE2-NZ 3.69Å; E476-K479 PolarHBondContact OE2-NZ 2.91Å; E476-Q480 WeakPolarHBondContact O-CG 3.35Å; E476-Q480 PolarHBondContact O-NE2 2.72Å
477	C	95.3	Very high	93.9	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.034	19%	0.188	C	C	.	.	H	α-helix	trans	-77.3	-43.2	170.1	-51.4	0	0	0	0	110.7	W453 L460 V473 F474 R475 K479 Q480 Q482 V484	W453-C477 VanDerWaalsContact CH2-SG 3.59Å; L460-C477 HydrophobicContact CD2-CB 4.38Å; V473-C477 PolarHBondContact O-SG 3.04Å; V473-C477 VanDerWaalsContact O-SG 3.38Å; F474-C477 PolarHBondContact O-N 2.91Å; F474-C477 VanDerWaalsContact O-N 3.12Å; R475-C477 VanDerWaalsContact C-N 3.32Å; R475-C477 PolarHBondContact O-N 3.06Å; C477-K479 PolarHBondContact O-N 2.92Å; C477-Q480 WeakPolarHBondContact O-CB 3.34Å; C477-Q480 PolarHBondContact O-N 3.18Å; C477-Q482 HydrophobicContact CB-CB 4.42Å; C477-Q482 WeakPolarHBondContact O-CB 3.5Å; C477-Q482 PolarHBondContact O-N 2.95Å; C477-V484 HydrophobicContact CB-CG2 3.95Å
478	W	97.4	Very high	94.1	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.6	-46.3	-178.4	-157.9	-114.9	0	0	0	112.3	F474 R475 Q480 G481 V484 D635 F752 P754 F774 S776 H779	F474-W478 HydrophobicContact CD1-CB 4.28Å; F474-W478 HydrophobicContact CE1-CB 3.96Å; F474-W478 HydrophobicContact CE1-CD2 4.02Å; F474-W478 AromaticContact CE1-CG 3.73Å; F474-W478 HydrophobicContact CE1-CG 3.73Å; F474-W478 HydrophobicContact CE2-CB 4.45Å; F474-W478 AromaticContact CE2-CD2 3.85Å; F474-W478 HydrophobicContact CE2-CD2 3.85Å; F474-W478 AromaticContact CE2-CE3 3.58Å; F474-W478 HydrophobicContact CE2-CE3 3.58Å; F474-W478 HydrophobicContact CE2-CG 4.26Å; F474-W478 HydrophobicContact CE2-CZ3 4.07Å; F474-W478 HydrophobicContact CZ-CB 4.05Å; F474-W478 AromaticContact CZ-CD2 3.34Å; F474-W478 HydrophobicContact CZ-CD2 3.34Å; F474-W478 AromaticContact CZ-CE2 3.77Å; F474-W478 AromaticContact CZ-CE3 3.59Å; F474-W478 HydrophobicContact CZ-CE3 3.59Å; F474-W478 AromaticContact CZ-CG 3.58Å; F474-W478 HydrophobicContact CZ-CG 3.58Å; F474-W478 HydrophobicContact CZ-CH2 4.49Å; F474-W478 HydrophobicContact CZ-CZ2 4.32Å; F474-W478 HydrophobicContact CZ-CZ3 4.17Å; F474-W478 WeakPolarHBondContact O-CB 3.36Å; F474-W478 PolarHBondContact O-N 3.01Å; R475-W478 PolarHBondContact O-N 2.83Å; W478-Q480 PolarHBondContact O-N 2.87Å; W478-G481 PolarHBondContact O-N 3.22Å; W478-V484 HydrophobicContact CE3-CG2 4.42Å; W478-D635 HydrophobicContact CZ2-CB 3.87Å; W478-D635 WeakPolarHBondContact CZ2-OD1 3.49Å; W478-F752 HydrophobicContact CH2-CB 3.93Å; W478-F752 HydrophobicContact CZ3-CB 3.68Å; W478-P754 HydrophobicContact CE3-CG 4.3Å; W478-P754 HydrophobicContact CH2-CB 4.39Å; W478-P754 HydrophobicContact CH2-CG 4.01Å; W478-P754 HydrophobicContact CZ3-CG 3.78Å; W478-F774 HydrophobicContact CH2-CZ 4.21Å; W478-F774 HydrophobicContact CZ2-CE2 4.03Å; W478-F774 AromaticContact CZ2-CZ 3.69Å; W478-F774 HydrophobicContact CZ2-CZ 3.69Å; W478-S776 PolarHBondContact NE1-OG 2.92Å; W478-S776 VanDerWaalsContact NE1-OG 3.12Å; W478-H779 AromaticContact CD1-CE1 3.73Å; W478-H779 AromaticContact CD2-CE1 3.73Å; W478-H779 AromaticContact CE2-CE1 3.44Å; W478-H779 VanDerWaalsContact CE2-CE1 3.44Å; W478-H779 AromaticContact CE2-ND1 3.5Å; W478-H779 AromaticContact CG-CE1 3.93Å; W478-H779 AromaticContact CZ2-CE1 3.95Å; W478-H779 AromaticContact CZ2-ND1 3.77Å; W478-H779 AromaticContact NE1-CE1 3.4Å; W478-H779 PolarHBondContact NE1-CE1 2.79Å; W478-H779 AromaticContact NE1-ND1 3.31Å; W478-H779 PolarHBondContact NE1-ND1 2.94Å; W478-H779 PolarHBondContact O-CE1 3.38Å; W478-H779 PolarHBondContact O-NE2 3Å
479	K	94.6	Very high	94.4	Very high	93 Å²	93	28.9 Å²	28.9	40%	0.404	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-23.5	172.4	-77.3	162.8	169.3	170.3	0	114.6	Y128 R475 E476 C477 E778	Y128-K479 WeakPolarHBondContact OH-CE 3.33Å; R475-K479 HydrophobicContact CG-CD 4.07Å; R475-K479 HydrophobicContact CG-CG 4.39Å; R475-K479 WeakPolarHBondContact O-CB 3.38Å; R475-K479 WeakPolarHBondContact O-CD 3.27Å; R475-K479 VanDerWaalsContact O-CG 3.23Å; R475-K479 WeakPolarHBondContact O-CG 3.29Å; R475-K479 PolarHBondContact O-N 3.3Å; E476-K479 IonicContact OE1-NZ 2.69Å; E476-K479 PolarHBondContact OE1-NZ 3.43Å; E476-K479 WeakPolarHBondContact OE2-CD 3.49Å; E476-K479 IonicContact OE2-NZ 3.69Å; E476-K479 PolarHBondContact OE2-NZ 2.91Å; C477-K479 PolarHBondContact O-N 2.92Å; K479-E778 HydrophobicContact CG-CG 3.96Å
480	Q	94.5	Very high	94.7	Very high	133 Å²	133	29.1 Å²	29.1	62%	0.621	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	0.5	179.5	-64.3	176.7	73.6	0	0	112.8	E476 C477 W478 Q482	E476-Q480 WeakPolarHBondContact O-CG 3.35Å; E476-Q480 PolarHBondContact O-NE2 2.72Å; C477-Q480 WeakPolarHBondContact O-CB 3.34Å; C477-Q480 PolarHBondContact O-N 3.18Å; W478-Q480 PolarHBondContact O-N 2.87Å; Q480-Q482 VanDerWaalsContact C-N 3.33Å; Q480-Q482 HydrophobicContact CB-CG 3.93Å
481	G	95.8	Very high	94.9	Very high	17 Å²	17	35.5 Å²	35.5	18%	0.175	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	30.6	-174.6	0	0	0	0	0	113	W478	W478-G481 PolarHBondContact O-N 3.22Å
482	Q	97.3	Very high	95.1	Very high	34 Å²	34	35.9 Å²	35.9	16%	0.159	18%	0.175	C	C	.	.			trans	-92.3	141	177	-60.6	175.1	-8.5	0	0	110.4	C477 Q480 W741	C477-Q482 HydrophobicContact CB-CB 4.42Å; C477-Q482 WeakPolarHBondContact O-CB 3.5Å; C477-Q482 PolarHBondContact O-N 2.95Å; Q480-Q482 VanDerWaalsContact C-N 3.33Å; Q480-Q482 HydrophobicContact CB-CG 3.93Å; Q482-W741 HydrophobicContact CB-CZ2 4.24Å; Q482-W741 HydrophobicContact CG-CH2 4.45Å; Q482-W741 HydrophobicContact CG-CZ2 4.01Å
483	P	98.4	Very high	95.6	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.006	17%	0.168	C	C	.	.			trans	-64.9	157.9	165.2	30.1	-33.8	0	0	0	110.8	L459 I686 W741 I743 F752	L459-P483 HydrophobicContact CD1-CB 4.25Å; L459-P483 HydrophobicContact CD1-CG 4.08Å; L459-P483 WeakPolarHBondContact CD1-O 3.42Å; P483-I686 HydrophobicContact CB-CD1 3.95Å; P483-I686 HydrophobicContact CB-CG2 4.41Å; P483-I686 HydrophobicContact CG-CD1 4.46Å; P483-I686 HydrophobicContact CG-CG2 4.29Å; P483-W741 HydrophobicContact CG-CB 4.28Å; P483-W741 HydrophobicContact CG-CD2 3.59Å; P483-W741 HydrophobicContact CG-CE3 3.75Å; P483-W741 HydrophobicContact CG-CG 3.83Å; P483-W741 HydrophobicContact CG-CZ3 4.31Å; P483-I743 HydrophobicContact CB-CD1 4.45Å; P483-I743 HydrophobicContact CG-CD1 4.37Å; P483-F752 VanDerWaalsContact CA-O 3.28Å; P483-F752 WeakPolarHBondContact CA-O 3.13Å; P483-F752 WeakPolarHBondContact CB-O 3.49Å
484	V	98.6	Very high	96	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.2	176.1	-179.8	0	0	0	0	109	L460 L462 F474 C477 W478 F752	L460-V484 HydrophobicContact CB-CG1 4.03Å; L460-V484 HydrophobicContact CB-CG2 4.33Å; L460-V484 HydrophobicContact CD2-CG1 3.79Å; L460-V484 HydrophobicContact CD2-CG2 4.3Å; L460-V484 HydrophobicContact CG-CG1 3.88Å; L462-V484 HydrophobicContact CD1-CG1 4.43Å; F474-V484 HydrophobicContact CD2-CB 3.91Å; F474-V484 HydrophobicContact CD2-CG1 3.95Å; F474-V484 HydrophobicContact CD2-CG2 3.79Å; F474-V484 HydrophobicContact CE2-CB 4.12Å; F474-V484 HydrophobicContact CE2-CG2 4.09Å; C477-V484 HydrophobicContact CB-CG2 3.95Å; W478-V484 HydrophobicContact CE3-CG2 4.42Å; V484-F752 HydrophobicContact CB-CB 4.37Å; V484-F752 PolarHBondContact N-O 2.79Å; V484-F752 WeakPolarHBondContact O-CB 3.49Å; V484-F752 PolarHBondContact O-N 3.09Å
485	M	98.3	Very high	96	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	144.9	174.3	-164.5	168.5	71.2	0	0	111.7	L454 L459 L460 C461 L462 R672 I743 D749 V750	L454-M485 HydrophobicContact CD1-CE 3.69Å; L459-M485 HydrophobicContact CD2-CB 4.38Å; L460-M485 PolarHBondContact O-N 3.49Å; C461-M485 WeakPolarHBondContact CA-O 3.36Å; C461-M485 HydrophobicContact CB-CE 4.44Å; L462-M485 PolarHBondContact N-O 2.94Å; M485-R672 VanDerWaalsContact CE-NH1 3.28Å; M485-I743 HydrophobicContact SD-CG2 3.97Å; M485-D749 HydrophobicContact CG-CB 4.23Å; M485-D749 HydrophobicContact SD-CB 4.02Å; M485-V750 CarbonylContact C-O 3.38Å; M485-V750 VanDerWaalsContact CA-O 3.3Å; M485-V750 WeakPolarHBondContact CA-O 3.49Å
486	V	98.1	Very high	96.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	117.9	171.7	-170.5	0	0	0	0	108.8	L462 P465 P580 V750 F752	L462-V486 HydrophobicContact CB-CB 4.49Å; L462-V486 HydrophobicContact CB-CG1 4.2Å; L462-V486 HydrophobicContact CB-CG2 4.18Å; L462-V486 HydrophobicContact CD1-CG2 4Å; P465-V486 HydrophobicContact CB-CG1 3.85Å; V486-P580 HydrophobicContact CB-CB 4.27Å; V486-P580 HydrophobicContact CB-CG 4.1Å; V486-P580 HydrophobicContact CG1-CB 3.88Å; V486-P580 HydrophobicContact CG1-CG 4.15Å; V486-P580 HydrophobicContact CG2-CB 4.29Å; V486-P580 HydrophobicContact CG2-CG 4.29Å; V486-V750 HydrophobicContact CB-CB 4.37Å; V486-V750 PolarHBondContact N-O 3.49Å; V486-V750 PolarHBondContact O-N 3.09Å; V486-F752 HydrophobicContact CB-CE2 4.49Å; V486-F752 HydrophobicContact CG2-CD2 4.16Å; V486-F752 HydrophobicContact CG2-CE2 3.64Å
487	S	95.6	Very high	96.5	Very high	18 Å²	18	43.6 Å²	43.6	13%	0.126	22%	0.221	C	C	.	.			trans	-90.5	155.9	-174.9	55.4	0	0	0	0	113.4	L462 D749	L462-S487 PolarHBondContact O-N 2.99Å; L462-S487 PolarHBondContact O-OG 3Å; S487-D749 WeakPolarHBondContact CA-OD1 3.42Å; S487-D749 VanDerWaalsContact CB-OD1 3.26Å; S487-D749 WeakPolarHBondContact CB-OD1 3.19Å
488	G	95	Very high	96.6	Very high	13 Å²	13	43.5 Å²	43.5	13%	0.134	22%	0.219	C	C	.	.			trans	83	14.7	163.7	0	0	0	0	0	117.1	H490 H491 G748	G488-H490 PolarHBondContact O-N 2.92Å; G488-H491 WeakPolarHBondContact O-CB 3.3Å; G488-H491 PolarHBondContact O-CD2 3.12Å; G488-H491 PolarHBondContact O-N 2.92Å; G488-H491 VanDerWaalsContact O-N 3.11Å; G488-G748 PolarHBondContact N-O 3.26Å; G488-G748 VanDerWaalsContact N-O 3.12Å
489	V	96.8	Very high	96.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-63.1	-27.4	177.8	173	0	0	0	0	112.4	P465 H491 K492 L493 P580 V639 G748 V750	P465-V489 HydrophobicContact CB-CG2 3.59Å; P465-V489 HydrophobicContact CG-CG2 3.98Å; V489-H491 PolarHBondContact O-N 2.83Å; V489-K492 WeakPolarHBondContact O-CB 3.38Å; V489-K492 PolarHBondContact O-N 3Å; V489-L493 HydrophobicContact CG1-CD1 4.24Å; V489-L493 HydrophobicContact CG1-CG 4.22Å; V489-L493 PolarHBondContact O-N 3.25Å; V489-P580 HydrophobicContact CG2-CG 3.99Å; V489-V639 HydrophobicContact CG1-CG1 4.3Å; V489-G748 PolarHBondContact N-O 2.88Å; V489-V750 HydrophobicContact CB-CG2 4.05Å; V489-V750 HydrophobicContact CG1-CG2 4.49Å; V489-V750 HydrophobicContact CG2-CG2 3.58Å
490	H	95.9	Very high	96.8	Very high	57 Å²	57	42 Å²	42	26%	0.264	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-61.9	-14.8	174.8	78.4	-96.3	0	0	0	113.8	G488 K492 L747	G488-H490 PolarHBondContact O-N 2.92Å; H490-K492 PolarHBondContact O-N 3.4Å; H490-L747 HydrophobicContact CB-CD1 4.41Å; H490-L747 HydrophobicContact CB-CG 4.14Å; H490-L747 PolarHBondContact CE1-O 2.81Å; H490-L747 PolarHBondContact ND1-O 3.28Å
491	H	95.8	Very high	96.9	Very high	138 Å²	138	40.5 Å²	40.5	64%	0.639	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-77.8	-0.8	171.5	-58.6	-37.9	0	0	0	113.8	G488 V489	G488-H491 WeakPolarHBondContact O-CB 3.3Å; G488-H491 PolarHBondContact O-CD2 3.12Å; G488-H491 PolarHBondContact O-N 2.92Å; G488-H491 VanDerWaalsContact O-N 3.11Å; V489-H491 PolarHBondContact O-N 2.83Å
492	K	94.8	Very high	97	Very high	90 Å²	90	40.8 Å²	40.8	39%	0.391	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-119.6	-34.1	-177	-52.9	-61.1	-178.4	-175.3	0	113.2	V489 H490 N578	V489-K492 WeakPolarHBondContact O-CB 3.38Å; V489-K492 PolarHBondContact O-N 3Å; H490-K492 PolarHBondContact O-N 3.4Å; K492-N578 HydrophobicContact CB-CB 4.01Å; K492-N578 WeakPolarHBondContact CB-OD1 3.35Å; K492-N578 PolarHBondContact O-ND2 3.21Å
493	L	96.8	Very high	97	Very high	13 Å²	13	39.2 Å²	39.2	7%	0.068	20%	0.198	C	C	.	.	S	Bend	trans	-66.9	152.6	176.4	-61.7	173.9	0	0	0	111.8	V489 T495 D574 N578 V639 V641	V489-L493 HydrophobicContact CG1-CD1 4.24Å; V489-L493 HydrophobicContact CG1-CG 4.22Å; V489-L493 PolarHBondContact O-N 3.25Å; L493-T495 PolarHBondContact O-N 3.42Å; L493-D574 WeakPolarHBondContact CA-OD2 3.27Å; L493-D574 WeakPolarHBondContact CD2-OD2 3.44Å; L493-N578 HydrophobicContact CD2-CB 3.94Å; L493-V639 HydrophobicContact CD1-CG1 4.39Å; L493-V641 HydrophobicContact CD1-CB 4.35Å; L493-V641 HydrophobicContact CD1-CG1 3.78Å
494	N	97.4	Very high	96.9	Very high	77 Å²	77	42.4 Å²	42.4	41%	0.412	21%	0.21	S	C	.	.			trans	-79.9	96.2	172.3	-178.4	-2.7	0	0	0	110.8	E496 L497 W498 D574	N494-E496 PolarHBondContact O-N 3.07Å; N494-E496 PolarHBondContact OD1-N 3.34Å; N494-L497 HydrophobicContact CB-CD1 4Å; N494-L497 HydrophobicContact CB-CG 4.1Å; N494-L497 WeakPolarHBondContact O-CB 3.45Å; N494-L497 PolarHBondContact O-N 3.4Å; N494-W498 VanDerWaalsContact O-CD1 3.25Å; N494-D574 PolarHBondContact N-OD1 2.96Å; N494-D574 PolarHBondContact N-OD2 3.05Å
495	T	95.6	Very high	96.8	Very high	83 Å²	83	51.1 Å²	51.1	51%	0.509	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-46	-34.3	-177.8	-46.6	0	0	0	0	114.6	L493 L497 W498	L493-T495 PolarHBondContact O-N 3.42Å; T495-L497 VanDerWaalsContact C-N 3.35Å; T495-L497 PolarHBondContact O-N 3.04Å; T495-W498 PolarHBondContact O-N 3.44Å
496	E	97.4	Very high	96.7	Very high	110 Å²	110	55.6 Å²	55.6	51%	0.514	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-70	-29.1	-178.1	-57.6	-55.2	124.8	0	0	113	N494 W498 K499	N494-E496 PolarHBondContact O-N 3.07Å; N494-E496 PolarHBondContact OD1-N 3.34Å; E496-W498 VanDerWaalsContact C-N 3.29Å; E496-W498 PolarHBondContact O-N 3.04Å; E496-K499 WeakPolarHBondContact OE1-CE 3.46Å; E496-K499 IonicContact OE1-NZ 3.57Å; E496-K499 PolarHBondContact OE1-NZ 3Å; E496-K499 WeakPolarHBondContact OE2-CE 3.19Å; E496-K499 IonicContact OE2-NZ 3.92Å; E496-K499 PolarHBondContact OE2-NZ 3.01Å
497	L	97.6	Very high	96.5	Very high	33 Å²	33	56.9 Å²	56.9	17%	0.173	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-71.9	-23.7	178.3	-66	-178.8	0	0	0	113.4	N494 T495 S570 R571 D574	N494-L497 HydrophobicContact CB-CD1 4Å; N494-L497 HydrophobicContact CB-CG 4.1Å; N494-L497 WeakPolarHBondContact O-CB 3.45Å; N494-L497 PolarHBondContact O-N 3.4Å; T495-L497 VanDerWaalsContact C-N 3.35Å; T495-L497 PolarHBondContact O-N 3.04Å; L497-S570 WeakPolarHBondContact CD1-O 3.36Å; L497-R571 HydrophobicContact CB-CG 4.29Å; L497-R571 PolarHBondContact O-NE 2.91Å; L497-R571 PolarHBondContact O-NH2 3.27Å; L497-D574 HydrophobicContact CD1-CB 4.05Å
498	W	97.7	Very high	96.5	Very high	2 Å²	2	56.1 Å²	56.1	1%	0.008	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-106.6	10.3	-169.7	-59.1	107.8	0	0	0	113.5	N494 T495 E496 F503 F564 R571 D574 L575 M610 V641 Y642 I768 V770	N494-W498 VanDerWaalsContact O-CD1 3.25Å; T495-W498 PolarHBondContact O-N 3.44Å; E496-W498 VanDerWaalsContact C-N 3.29Å; E496-W498 PolarHBondContact O-N 3.04Å; W498-F503 AromaticContact CE3-CZ 3.96Å; W498-F503 HydrophobicContact CE3-CZ 3.96Å; W498-F503 HydrophobicContact CZ3-CZ 4.42Å; W498-F564 HydrophobicContact CH2-CZ 4.12Å; W498-F564 HydrophobicContact CZ3-CZ 4.22Å; W498-R571 HydrophobicContact CD2-CG 4.4Å; W498-R571 HydrophobicContact CE3-CG 4.14Å; W498-R571 HydrophobicContact CH2-CB 3.55Å; W498-R571 HydrophobicContact CH2-CG 3.84Å; W498-R571 HydrophobicContact CZ2-CB 3.88Å; W498-R571 HydrophobicContact CZ2-CG 4.07Å; W498-R571 WeakPolarHBondContact CZ2-O 3.47Å; W498-R571 HydrophobicContact CZ3-CB 4Å; W498-R571 HydrophobicContact CZ3-CG 3.85Å; W498-D574 PolarHBondContact NE1-OD2 2.97Å; W498-L575 HydrophobicContact CH2-CB 4.38Å; W498-L575 HydrophobicContact CZ2-CB 4.17Å; W498-M610 HydrophobicContact CZ3-SD 4.29Å; W498-V641 HydrophobicContact CB-CB 4.26Å; W498-V641 HydrophobicContact CB-CG2 4.34Å; W498-V641 HydrophobicContact CD2-CB 4Å; W498-V641 HydrophobicContact CD2-CG1 4.25Å; W498-V641 HydrophobicContact CD2-CG2 4.07Å; W498-V641 HydrophobicContact CE3-CB 4.06Å; W498-V641 HydrophobicContact CE3-CG1 4.27Å; W498-V641 HydrophobicContact CE3-CG2 3.63Å; W498-V641 HydrophobicContact CG-CB 4.1Å; W498-V641 HydrophobicContact CG-CG2 4.39Å; W498-V641 HydrophobicContact CZ3-CG2 4.25Å; W498-Y642 WeakPolarHBondContact O-CB 3.49Å; W498-I768 WeakPolarHBondContact O-CD1 3.27Å; W498-V770 HydrophobicContact CE3-CG2 4.35Å; W498-V770 HydrophobicContact CH2-CG2 3.93Å; W498-V770 HydrophobicContact CZ3-CG2 3.55Å
499	K	97.6	Very high	96.6	Very high	57 Å²	57	62.9 Å²	62.9	25%	0.248	30%	0.298	C	S	.	.	S	Bend	trans	-79.3	142.2	176	-80.8	178.5	-171.8	173.1	0	112.4	E496 E501 S502 F503 Y642	E496-K499 WeakPolarHBondContact OE1-CE 3.46Å; E496-K499 IonicContact OE1-NZ 3.57Å; E496-K499 PolarHBondContact OE1-NZ 3Å; E496-K499 WeakPolarHBondContact OE2-CE 3.19Å; E496-K499 IonicContact OE2-NZ 3.92Å; E496-K499 PolarHBondContact OE2-NZ 3.01Å; K499-E501 WeakPolarHBondContact CB-OE2 3.3Å; K499-E501 PolarHBondContact O-N 3.32Å; K499-S502 WeakPolarHBondContact O-CB 3.29Å; K499-S502 PolarHBondContact O-N 2.69Å; K499-F503 VanDerWaalsContact O-CD2 3.28Å; K499-F503 WeakPolarHBondContact O-CD2 3.47Å; K499-F503 PolarHBondContact O-N 3.34Å; K499-Y642 HydrophobicContact CG-CE2 3.99Å
500	P	97.3	Very high	96.4	Very high	6 Å²	6	66 Å²	66	4%	0.039	31%	0.313	C	S	.	.	H	α-helix	trans	-46.1	-44.1	169.1	-30	36.4	0	0	0	113.3	S502 F503 R504 W532 F535 Y642 I768	P500-S502 VanDerWaalsContact C-N 3.27Å; P500-S502 PolarHBondContact O-N 2.68Å; P500-F503 PolarHBondContact O-N 3.4Å; P500-R504 WeakPolarHBondContact O-CB 3.45Å; P500-R504 PolarHBondContact O-N 3.05Å; P500-W532 HydrophobicContact CB-CD2 4.49Å; P500-W532 HydrophobicContact CB-CE3 3.73Å; P500-W532 HydrophobicContact CB-CZ3 4.22Å; P500-W532 HydrophobicContact CG-CE3 4.35Å; P500-W532 HydrophobicContact CG-CZ3 4.39Å; P500-F535 HydrophobicContact CB-CD1 4.18Å; P500-F535 HydrophobicContact CG-CD1 3.57Å; P500-F535 HydrophobicContact CG-CE1 3.82Å; P500-F535 HydrophobicContact CG-CG 4.35Å; P500-Y642 VanDerWaalsContact CD-CZ 3.43Å; P500-Y642 HydrophobicContact CG-CD1 4.03Å; P500-Y642 HydrophobicContact CG-CE1 3.62Å; P500-I768 HydrophobicContact CG-CD1 4.24Å
501	E	97.1	Very high	96.4	Very high	101 Å²	101	71.3 Å²	71.3	47%	0.472	34%	0.337	S	S	.	.	H	α-helix	trans	-66.1	-26.8	-178	-58.3	89.9	159.2	0	0	113	K499 K505	K499-E501 WeakPolarHBondContact CB-OE2 3.3Å; K499-E501 PolarHBondContact O-N 3.32Å; E501-K505 WeakPolarHBondContact O-CB 3.38Å; E501-K505 PolarHBondContact O-N 2.89Å; E501-K505 VanDerWaalsContact O-N 3.09Å
502	S	97.7	Very high	96.3	Very high	23 Å²	23	65.6 Å²	65.6	16%	0.161	31%	0.312	C	S	.	.	H	α-helix	trans	-73.3	-46	175.5	-152	0	0	0	0	110.6	K499 P500 K505 E506 R571	K499-S502 WeakPolarHBondContact O-CB 3.29Å; K499-S502 PolarHBondContact O-N 2.69Å; P500-S502 VanDerWaalsContact C-N 3.27Å; P500-S502 PolarHBondContact O-N 2.68Å; S502-K505 PolarHBondContact O-N 3.47Å; S502-E506 WeakPolarHBondContact O-CB 3.47Å; S502-E506 WeakPolarHBondContact O-CG 3.33Å; S502-E506 PolarHBondContact O-N 2.86Å; S502-E506 PolarHBondContact OG-OE1 2.84Å; S502-R571 PolarHBondContact OG-NH2 2.97Å
503	F	97.1	Very high	96.3	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.8	-42.4	175.4	-62.1	-68.5	0	0	0	111.6	W498 K499 P500 K505 E506 F507 W532 W558 M568 M610 I768	W498-F503 AromaticContact CE3-CZ 3.96Å; W498-F503 HydrophobicContact CE3-CZ 3.96Å; W498-F503 HydrophobicContact CZ3-CZ 4.42Å; K499-F503 VanDerWaalsContact O-CD2 3.28Å; K499-F503 WeakPolarHBondContact O-CD2 3.47Å; K499-F503 PolarHBondContact O-N 3.34Å; P500-F503 PolarHBondContact O-N 3.4Å; F503-K505 VanDerWaalsContact C-N 3.31Å; F503-K505 PolarHBondContact O-N 2.91Å; F503-E506 PolarHBondContact O-N 3.35Å; F503-F507 HydrophobicContact CD1-CD2 4.25Å; F503-F507 HydrophobicContact CD1-CE2 4.27Å; F503-F507 PolarHBondContact O-N 2.99Å; F503-W532 HydrophobicContact CB-CD2 4.23Å; F503-W532 HydrophobicContact CB-CG 4.46Å; F503-W532 HydrophobicContact CB-CZ2 3.84Å; F503-W532 HydrophobicContact CD2-CH2 4.07Å; F503-W532 AromaticContact CD2-CZ2 3.88Å; F503-W532 HydrophobicContact CD2-CZ2 3.88Å; F503-W532 AromaticContact CG-CZ2 3.96Å; F503-W532 HydrophobicContact CG-CZ2 3.96Å; F503-W558 HydrophobicContact CB-CH2 4.39Å; F503-W558 AromaticContact CD1-CH2 3.96Å; F503-W558 HydrophobicContact CD1-CH2 3.96Å; F503-W558 HydrophobicContact CD1-CZ3 4.21Å; F503-W558 HydrophobicContact CG-CH2 4.5Å; F503-M568 HydrophobicContact CD1-SD 4.06Å; F503-M568 HydrophobicContact CE1-CE 4.38Å; F503-M568 HydrophobicContact CE1-SD 3.73Å; F503-M610 HydrophobicContact CD1-CE 4.26Å; F503-M610 HydrophobicContact CE1-CE 3.76Å; F503-M610 HydrophobicContact CE1-SD 4.29Å; F503-M610 HydrophobicContact CZ-CE 3.98Å; F503-M610 HydrophobicContact CZ-SD 4.07Å; F503-I768 HydrophobicContact CD2-CD1 4.05Å; F503-I768 HydrophobicContact CE2-CD1 3.81Å; F503-I768 HydrophobicContact CE2-CG2 4.3Å
504	R	97.1	Very high	96.3	Very high	68 Å²	68	63 Å²	63	26%	0.257	30%	0.303	S	S	.	.	H	α-helix	trans	-54.9	-44.3	173.3	175.4	54.6	-179	119.6	-24.1	112.9	P500 G508 E509 G529 W532 D533	P500-R504 WeakPolarHBondContact O-CB 3.45Å; P500-R504 PolarHBondContact O-N 3.05Å; R504-G508 VanDerWaalsContact O-CA 3.23Å; R504-G508 WeakPolarHBondContact O-CA 3.45Å; R504-G508 PolarHBondContact O-N 3.44Å; R504-G508 VanDerWaalsContact O-N 3.12Å; R504-E509 IonicContact CZ-OE1 3.62Å; R504-E509 IonicContact NH1-OE1 3.47Å; R504-E509 PolarHBondContact NH1-OE1 2.63Å; R504-G529 VanDerWaalsContact CD-CA 3.48Å; R504-W532 HydrophobicContact CB-CB 3.81Å; R504-W532 HydrophobicContact CB-CG 4.34Å; R504-W532 HydrophobicContact CG-CB 4.46Å; R504-D533 VanDerWaalsContact CD-OD1 3.23Å; R504-D533 WeakPolarHBondContact CD-OD1 3.28Å; R504-D533 WeakPolarHBondContact CG-OD1 3.44Å; R504-D533 IonicContact CZ-OD2 3.73Å; R504-D533 VanDerWaalsContact CZ-OD2 3.29Å; R504-D533 IonicContact NE-OD1 3.43Å; R504-D533 PolarHBondContact NE-OD1 2.97Å; R504-D533 IonicContact NE-OD2 3.34Å; R504-D533 PolarHBondContact NE-OD2 3.28Å; R504-D533 IonicContact NH2-OD2 3.17Å; R504-D533 PolarHBondContact NH2-OD2 2.82Å
505	K	97.3	Very high	96.2	Very high	184 Å²	184	60 Å²	60	80%	0.8	29%	0.287	S	S	*	.	H	α-helix	trans	-73.6	-35.6	-176.3	-179.2	-176.1	176	-171.8	0	113.2	E501 S502 F503	E501-K505 WeakPolarHBondContact O-CB 3.38Å; E501-K505 PolarHBondContact O-N 2.89Å; E501-K505 VanDerWaalsContact O-N 3.09Å; S502-K505 PolarHBondContact O-N 3.47Å; F503-K505 VanDerWaalsContact C-N 3.31Å; F503-K505 PolarHBondContact O-N 2.91Å
506	E	95.4	Very high	96.1	Very high	95 Å²	95	56.5 Å²	56.5	44%	0.444	27%	0.266	S	S	.	.	H	α-helix	trans	-93	-30.3	-173.1	-70.1	166.7	-112.3	0	0	113.2	S502 F503 R571	S502-E506 WeakPolarHBondContact O-CB 3.47Å; S502-E506 WeakPolarHBondContact O-CG 3.33Å; S502-E506 PolarHBondContact O-N 2.86Å; S502-E506 PolarHBondContact OG-OE1 2.84Å; F503-E506 PolarHBondContact O-N 3.35Å; E506-R571 IonicContact OE1-CZ 3.83Å; E506-R571 IonicContact OE1-NH1 2.7Å; E506-R571 IonicContact OE1-NH2 3.4Å; E506-R571 PolarHBondContact OE1-NH2 2.95Å; E506-R571 IonicContact OE2-CZ 3.34Å; E506-R571 IonicContact OE2-NH1 3.18Å; E506-R571 PolarHBondContact OE2-NH1 3.41Å; E506-R571 IonicContact OE2-NH2 3.72Å; E506-R571 PolarHBondContact OE2-NH2 3.36Å
507	F	94.9	Very high	96	Very high	26 Å²	26	51.4 Å²	51.4	11%	0.114	24%	0.242	C	C	.	.	H	α-helix	trans	-129.9	1.7	-172	-49	-71.1	0	0	0	114.2	F503 E509 Q510 V528 W558 M567 M568	F503-F507 HydrophobicContact CD1-CD2 4.25Å; F503-F507 HydrophobicContact CD1-CE2 4.27Å; F503-F507 PolarHBondContact O-N 2.99Å; F507-E509 PolarHBondContact O-N 2.65Å; F507-Q510 HydrophobicContact CB-CG 4.49Å; F507-Q510 WeakPolarHBondContact O-CB 3.36Å; F507-Q510 WeakPolarHBondContact O-CG 3.24Å; F507-Q510 PolarHBondContact O-N 3.13Å; F507-V528 HydrophobicContact CB-CG1 4.22Å; F507-V528 WeakPolarHBondContact O-CB 3.38Å; F507-W558 HydrophobicContact CB-CH2 4.19Å; F507-W558 HydrophobicContact CB-CZ2 3.63Å; F507-W558 AromaticContact CD2-CH2 3.87Å; F507-W558 HydrophobicContact CD2-CH2 3.87Å; F507-W558 AromaticContact CD2-CZ2 3.96Å; F507-W558 HydrophobicContact CD2-CZ2 3.96Å; F507-W558 HydrophobicContact CG-CH2 4.18Å; F507-W558 AromaticContact CG-CZ2 3.79Å; F507-W558 HydrophobicContact CG-CZ2 3.79Å; F507-M567 HydrophobicContact CD1-CE 4.29Å; F507-M567 HydrophobicContact CE1-CE 4.28Å; F507-M567 HydrophobicContact CE1-CG 4.23Å; F507-M568 HydrophobicContact CD2-SD 4.35Å; F507-M568 HydrophobicContact CE1-CG 4.35Å; F507-M568 HydrophobicContact CE2-CG 3.97Å; F507-M568 HydrophobicContact CE2-SD 3.62Å; F507-M568 HydrophobicContact CZ-CG 3.6Å; F507-M568 HydrophobicContact CZ-SD 3.91Å
508	G	95.4	Very high	95.7	Very high	2 Å²	2	53.4 Å²	53.4	2%	0.021	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-31	-170	0	0	0	0	0	115.6	R504 Q510 T527 G529	R504-G508 VanDerWaalsContact O-CA 3.23Å; R504-G508 WeakPolarHBondContact O-CA 3.45Å; R504-G508 PolarHBondContact O-N 3.44Å; R504-G508 VanDerWaalsContact O-N 3.12Å; G508-Q510 VanDerWaalsContact C-N 3.27Å; G508-Q510 PolarHBondContact O-N 3.18Å; G508-T527 WeakPolarHBondContact O-CB 3.46Å; G508-G529 WeakPolarHBondContact O-CA 3.41Å; G508-G529 PolarHBondContact O-N 3.05Å
509	E	96.3	Very high	95.3	Very high	155 Å²	155	57.1 Å²	57.1	72%	0.724	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.5	5.7	-178.4	-43.3	-55	114.4	0	0	113.6	R504 F507	R504-E509 IonicContact CZ-OE1 3.62Å; R504-E509 IonicContact NH1-OE1 3.47Å; R504-E509 PolarHBondContact NH1-OE1 2.63Å; F507-E509 PolarHBondContact O-N 2.65Å
510	Q	93.4	Very high	94.9	Very high	67 Å²	67	58.7 Å²	58.7	31%	0.313	28%	0.281	S	S	.	.			trans	-76.6	130.5	173.1	-67.9	-178.4	-7.9	0	0	110.9	F507 G508 T527 V528	F507-Q510 HydrophobicContact CB-CG 4.49Å; F507-Q510 WeakPolarHBondContact O-CB 3.36Å; F507-Q510 WeakPolarHBondContact O-CG 3.24Å; F507-Q510 PolarHBondContact O-N 3.13Å; G508-Q510 VanDerWaalsContact C-N 3.27Å; G508-Q510 PolarHBondContact O-N 3.18Å; Q510-T527 CarbonylContact O-C 3.52Å; Q510-T527 VanDerWaalsContact O-CA 3.3Å; Q510-T527 WeakPolarHBondContact O-CA 3.12Å; Q510-V528 HydrophobicContact CB-CB 4.44Å; Q510-V528 HydrophobicContact CB-CG2 3.85Å; Q510-V528 PolarHBondContact O-N 2.9Å
511	E	94.5	Very high	94.7	Very high	167 Å²	167	64 Å²	64	78%	0.78	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	139	168.6	-65.7	-177.1	173.5	0	0	111
512	V	93.8	Very high	94.5	Very high	18 Å²	18	63.4 Å²	63.4	11%	0.109	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	155	-177.1	-80.4	0	0	0	0	111.9	L514 A526 V528 L555 W558	V512-L514 HydrophobicContact CG2-CD2 4.19Å; V512-A526 PolarHBondContact N-O 2.91Å; V512-V528 HydrophobicContact CB-CG2 4.29Å; V512-V528 HydrophobicContact CG1-CG2 3.5Å; V512-V528 VanDerWaalsContact CG1-CG2 3.5Å; V512-V528 HydrophobicContact CG2-CG2 3.78Å; V512-L555 HydrophobicContact CB-CD1 4Å; V512-L555 HydrophobicContact CG1-CD1 4.17Å; V512-L555 HydrophobicContact CG2-CD1 3.72Å; V512-W558 HydrophobicContact CG1-CG 4.4Å
513	D	94.9	Very high	94.3	Very high	50 Å²	50	64.1 Å²	64.1	27%	0.267	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	132.9	161.6	-79.4	-7.4	0	0	0	109.9	I522 K556	D513-I522 HydrophobicContact CB-CG2 3.99Å; D513-K556 HydrophobicContact CB-CB 3.99Å; D513-K556 HydrophobicContact CB-CD 3.79Å; D513-K556 HydrophobicContact CB-CG 4.37Å; D513-K556 WeakPolarHBondContact O-CB 3.42Å; D513-K556 PolarHBondContact O-N 3.47Å; D513-K556 VanDerWaalsContact O-N 3.1Å; D513-K556 IonicContact OD2-NZ 2.72Å; D513-K556 PolarHBondContact OD2-NZ 3.38Å
514	L	96.1	Very high	94.1	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	150.2	165.4	-54.3	177.8	0	0	0	109.3	V512 I522 I523 A526 F531 L542 L553 K554 L555	V512-L514 HydrophobicContact CG2-CD2 4.19Å; L514-I522 CarbonylContact O-C 3.51Å; L514-I522 WeakPolarHBondContact O-CA 3.49Å; L514-I523 HydrophobicContact CB-CB 4.29Å; L514-I523 PolarHBondContact N-O 3.28Å; L514-I523 PolarHBondContact O-N 3.37Å; L514-A526 HydrophobicContact CD1-CB 3.57Å; L514-A526 HydrophobicContact CG-CB 4Å; L514-F531 HydrophobicContact CD1-CB 4.34Å; L514-F531 HydrophobicContact CD2-CB 4.01Å; L514-F531 HydrophobicContact CD2-CD2 4.02Å; L514-F531 HydrophobicContact CD2-CG 4.24Å; L514-L542 HydrophobicContact CD1-CD1 3.9Å; L514-L553 HydrophobicContact CD1-CD1 3.98Å; L514-K554 WeakPolarHBondContact CA-O 3.2Å; L514-L555 HydrophobicContact CD2-CB 4.49Å; L514-L555 HydrophobicContact CD2-CD1 3.42Å; L514-L555 VanDerWaalsContact CD2-CD1 3.42Å
515	V	95.5	Very high	93.8	Very high	14 Å²	14	69 Å²	69	9%	0.085	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	128.8	174.6	178.9	0	0	0	0	110.1	C517 E521 I522 L553 K554 K556	V515-C517 PolarHBondContact O-N 2.9Å; V515-E521 WeakPolarHBondContact CA-O 3.17Å; V515-I522 HydrophobicContact CG2-CG1 4.23Å; V515-L553 WeakPolarHBondContact O-CA 3.28Å; V515-K554 HydrophobicContact CB-CD 4.48Å; V515-K554 HydrophobicContact CB-CG 3.82Å; V515-K554 HydrophobicContact CG1-CG 4.47Å; V515-K554 PolarHBondContact N-O 3.1Å; V515-K554 PolarHBondContact O-N 2.92Å; V515-K556 HydrophobicContact CG2-CB 4.15Å; V515-K556 HydrophobicContact CG2-CD 4.15Å
516	N	94.8	Very high	93.7	Very high	9 Å²	9	60.6 Å²	60.6	5%	0.048	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	115.6	173.1	-179.4	-15.2	0	0	0	109.9	R518 T519 N520 E521 L553	N516-R518 PolarHBondContact O-N 2.95Å; N516-R518 PolarHBondContact OD1-N 3.07Å; N516-T519 WeakPolarHBondContact CB-OG1 3.24Å; N516-T519 PolarHBondContact ND2-OG1 3.46Å; N516-T519 PolarHBondContact O-N 3.31Å; N516-N520 WeakPolarHBondContact O-CA 3.45Å; N516-N520 PolarHBondContact O-N 3.33Å; N516-E521 PolarHBondContact N-O 3.42Å; N516-L553 HydrophobicContact CB-CD2 4.3Å
517	C	94.3	Very high	93.7	Very high	3 Å²	3	57.9 Å²	57.9	2%	0.02	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.6	-174.3	-59.6	0	0	0	0	113.9	V515 V552 L616	V515-C517 PolarHBondContact O-N 2.9Å; C517-V552 HydrophobicContact CB-CG1 4.1Å; C517-V552 PolarHBondContact N-O 3.43Å; C517-L616 HydrophobicContact CB-CD2 4.41Å
518	R	91.4	Very high	93.7	Very high	75 Å²	75	56.6 Å²	56.6	28%	0.283	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-24.5	177.1	-62.4	177.1	174.5	142.3	-1	113.3	N516 P550 D621 Y624	N516-R518 PolarHBondContact O-N 2.95Å; N516-R518 PolarHBondContact OD1-N 3.07Å; R518-P550 PolarHBondContact NH1-O 2.67Å; R518-D621 IonicContact CZ-OD1 3.61Å; R518-D621 IonicContact CZ-OD2 2.72Å; R518-D621 IonicContact NE-OD1 3.38Å; R518-D621 PolarHBondContact NE-OD1 2.9Å; R518-D621 IonicContact NE-OD2 3.71Å; R518-D621 IonicContact NH2-OD1 2.73Å; R518-D621 PolarHBondContact NH2-OD1 3.03Å; R518-D621 IonicContact NH2-OD2 3.49Å; R518-D621 PolarHBondContact NH2-OD2 3.09Å; R518-Y624 HydrophobicContact CB-CD2 4.34Å; R518-Y624 HydrophobicContact CB-CE2 4.05Å; R518-Y624 HydrophobicContact CG-CD2 3.95Å; R518-Y624 HydrophobicContact CG-CE2 3.88Å
519	T	89.9	Confident	93.8	Very high	79 Å²	79	56.5 Å²	56.5	49%	0.485	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.8	-14	-172.6	59.3	0	0	0	0	114.2	N516 E521	N516-T519 WeakPolarHBondContact CB-OG1 3.24Å; N516-T519 PolarHBondContact ND2-OG1 3.46Å; N516-T519 PolarHBondContact O-N 3.31Å; T519-E521 PolarHBondContact O-N 3.4Å; T519-E521 WeakPolarHBondContact OG1-CB 3.44Å; T519-E521 PolarHBondContact OG1-N 2.75Å
520	N	89.4	Confident	93.8	Very high	90 Å²	90	52 Å²	52	48%	0.481	29%	0.286	S	S	.	.			trans	56.2	18.9	-166.5	-61.8	-62.1	0	0	0	114.5	N516	N516-N520 WeakPolarHBondContact O-CA 3.45Å; N516-N520 PolarHBondContact O-N 3.33Å
521	E	91.6	Very high	94	Very high	119 Å²	119	48.9 Å²	48.9	56%	0.556	27%	0.271	S	S	*	.			trans	-71.2	133.6	174.6	-172.1	167.9	-155.3	0	0	110.6	V515 N516 T519	V515-E521 WeakPolarHBondContact CA-O 3.17Å; N516-E521 PolarHBondContact N-O 3.42Å; T519-E521 PolarHBondContact O-N 3.4Å; T519-E521 WeakPolarHBondContact OG1-CB 3.44Å; T519-E521 PolarHBondContact OG1-N 2.75Å
522	I	93.8	Very high	94.2	Very high	88 Å²	88	41.4 Å²	41.4	45%	0.451	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	125	177.4	-55.2	174.4	0	0	0	108.7	D513 L514 V515 T524	D513-I522 HydrophobicContact CB-CG2 3.99Å; L514-I522 CarbonylContact O-C 3.51Å; L514-I522 WeakPolarHBondContact O-CA 3.49Å; V515-I522 HydrophobicContact CG2-CG1 4.23Å; I522-T524 HydrophobicContact CG2-CG2 4.2Å
523	I	93.7	Very high	94.3	Very high	38 Å²	38	43.8 Å²	43.8	20%	0.195	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	107.8	176.3	-56.5	163.2	0	0	0	107	L514 M551 L553	L514-I523 HydrophobicContact CB-CB 4.29Å; L514-I523 PolarHBondContact N-O 3.28Å; L514-I523 PolarHBondContact O-N 3.37Å; I523-M551 HydrophobicContact CD1-CE 3.53Å; I523-M551 HydrophobicContact CD1-SD 3.94Å; I523-L553 HydrophobicContact CD1-CD2 3.65Å
524	T	93.1	Very high	94.3	Very high	106 Å²	106	41.4 Å²	41.4	65%	0.65	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-93.2	145.3	-178.8	57.4	0	0	0	0	111.3	I522	I522-T524 HydrophobicContact CG2-CG2 4.2Å
525	G	90.3	Very high	94.3	Very high	64 Å²	64	41.5 Å²	41.5	66%	0.66	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	78.3	19.6	175.1	0	0	0	0	0	114.3
526	A	94.2	Very high	94.2	Very high	8 Å²	8	42 Å²	42	7%	0.066	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	159.9	162.2	0	0	0	0	0	109.8	V512 L514 L542	V512-A526 PolarHBondContact N-O 2.91Å; L514-A526 HydrophobicContact CD1-CB 3.57Å; L514-A526 HydrophobicContact CG-CB 4Å; A526-L542 HydrophobicContact CB-CD1 4.16Å
527	T	96.1	Very high	94.1	Very high	37 Å²	37	44.5 Å²	44.5	23%	0.227	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	160.3	174.6	70.3	0	0	0	0	112	G508 Q510 G529 D530 F531	G508-T527 WeakPolarHBondContact O-CB 3.46Å; Q510-T527 CarbonylContact O-C 3.52Å; Q510-T527 VanDerWaalsContact O-CA 3.3Å; Q510-T527 WeakPolarHBondContact O-CA 3.12Å; T527-G529 PolarHBondContact O-N 3.33Å; T527-G529 PolarHBondContact OG1-N 2.73Å; T527-D530 WeakPolarHBondContact CB-OD2 3.38Å; T527-D530 PolarHBondContact N-OD2 3.32Å; T527-D530 PolarHBondContact O-N 2.71Å; T527-D530 VanDerWaalsContact OG1-CG 3.25Å; T527-D530 PolarHBondContact OG1-N 3.27Å; T527-D530 PolarHBondContact OG1-OD2 2.84Å; T527-F531 PolarHBondContact O-N 3.17Å
528	V	95.3	Very high	93.9	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-57.3	-29.2	166.2	170.3	0	0	0	0	110.3	F507 Q510 V512 W532 W558	F507-V528 HydrophobicContact CB-CG1 4.22Å; F507-V528 WeakPolarHBondContact O-CB 3.38Å; Q510-V528 HydrophobicContact CB-CB 4.44Å; Q510-V528 HydrophobicContact CB-CG2 3.85Å; Q510-V528 PolarHBondContact O-N 2.9Å; V512-V528 HydrophobicContact CB-CG2 4.29Å; V512-V528 HydrophobicContact CG1-CG2 3.5Å; V512-V528 VanDerWaalsContact CG1-CG2 3.5Å; V512-V528 HydrophobicContact CG2-CG2 3.78Å; V528-W532 VanDerWaalsContact CG1-CD1 3.45Å; V528-W532 PolarHBondContact O-N 3.14Å; V528-W558 HydrophobicContact CG1-CH2 4.37Å; V528-W558 HydrophobicContact CG1-CZ2 4.16Å; V528-W558 HydrophobicContact CG2-CZ2 4.39Å
529	G	96.9	Very high	93.9	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-52.8	174.8	0	0	0	0	0	113.3	R504 G508 T527 F531 W532 D533	R504-G529 VanDerWaalsContact CD-CA 3.48Å; G508-G529 WeakPolarHBondContact O-CA 3.41Å; G508-G529 PolarHBondContact O-N 3.05Å; T527-G529 PolarHBondContact O-N 3.33Å; T527-G529 PolarHBondContact OG1-N 2.73Å; G529-F531 PolarHBondContact O-N 3.01Å; G529-F531 VanDerWaalsContact O-N 3.13Å; G529-W532 PolarHBondContact O-N 3.09Å; G529-D533 WeakPolarHBondContact O-CB 3.31Å; G529-D533 VanDerWaalsContact O-CG 3.3Å; G529-D533 PolarHBondContact O-N 3.41Å
530	D	96.6	Very high	94	Very high	61 Å²	61	46.6 Å²	46.6	33%	0.326	27%	0.27	S	S	.	.	H	α-helix	trans	-56.8	-30.9	179.6	-59.1	-63.4	0	0	0	112.7	T527 L542	T527-D530 WeakPolarHBondContact CB-OD2 3.38Å; T527-D530 PolarHBondContact N-OD2 3.32Å; T527-D530 PolarHBondContact O-N 2.71Å; T527-D530 VanDerWaalsContact OG1-CG 3.25Å; T527-D530 PolarHBondContact OG1-N 3.27Å; T527-D530 PolarHBondContact OG1-OD2 2.84Å; D530-L542 HydrophobicContact CB-CD1 4.32Å; D530-L542 HydrophobicContact CB-CD2 4.32Å; D530-L542 HydrophobicContact CB-CG 4.42Å
531	F	97.6	Very high	94.3	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-75.1	-46.1	175	177.4	-94.2	0	0	0	112.9	L514 T527 G529 F535 L553 L555 N612 Y614	L514-F531 HydrophobicContact CD1-CB 4.34Å; L514-F531 HydrophobicContact CD2-CB 4.01Å; L514-F531 HydrophobicContact CD2-CD2 4.02Å; L514-F531 HydrophobicContact CD2-CG 4.24Å; T527-F531 PolarHBondContact O-N 3.17Å; G529-F531 PolarHBondContact O-N 3.01Å; G529-F531 VanDerWaalsContact O-N 3.13Å; F531-F535 AromaticContact CE1-CD2 3.77Å; F531-F535 HydrophobicContact CE1-CD2 3.77Å; F531-F535 HydrophobicContact CE1-CE2 4.04Å; F531-F535 AromaticContact CZ-CD2 3.87Å; F531-F535 HydrophobicContact CZ-CD2 3.87Å; F531-F535 HydrophobicContact CZ-CE2 4.01Å; F531-F535 PolarHBondContact O-N 3.42Å; F531-L553 HydrophobicContact CD2-CB 4.23Å; F531-L553 HydrophobicContact CE2-CB 4.25Å; F531-L555 HydrophobicContact CD1-CD2 4.39Å; F531-L555 HydrophobicContact CE1-CB 4.39Å; F531-L555 HydrophobicContact CE2-CB 4.47Å; F531-L555 HydrophobicContact CG-CD1 4.43Å; F531-L555 HydrophobicContact CZ-CB 4.38Å; F531-N612 HydrophobicContact CE1-CB 3.82Å; F531-N612 HydrophobicContact CZ-CB 4.01Å; F531-Y614 HydrophobicContact CD2-CD1 4.48Å; F531-Y614 AromaticContact CD2-CE1 3.67Å; F531-Y614 HydrophobicContact CD2-CE1 3.67Å; F531-Y614 AromaticContact CD2-CZ 3.93Å; F531-Y614 HydrophobicContact CE1-CE1 4.48Å; F531-Y614 AromaticContact CE2-CD1 3.77Å; F531-Y614 HydrophobicContact CE2-CD1 3.77Å; F531-Y614 AromaticContact CE2-CE1 3.39Å; F531-Y614 HydrophobicContact CE2-CE1 3.39Å; F531-Y614 HydrophobicContact CG-CE1 4.33Å; F531-Y614 HydrophobicContact CZ-CD1 4.03Å; F531-Y614 AromaticContact CZ-CE1 3.83Å; F531-Y614 HydrophobicContact CZ-CE1 3.83Å; F531-Y614 WeakPolarHBondContact O-CE1 3.48Å; F531-Y614 PolarHBondContact O-OH 2.93Å
532	W	97.8	Very high	94.4	Very high	10 Å²	10	40 Å²	40	4%	0.038	24%	0.236	C	C	.	.	H	α-helix	trans	-74.4	-35.1	-178.6	-67.4	119.9	0	0	0	113.1	P500 F503 R504 V528 G529 G534 F535 W558 N612 I768	P500-W532 HydrophobicContact CB-CD2 4.49Å; P500-W532 HydrophobicContact CB-CE3 3.73Å; P500-W532 HydrophobicContact CB-CZ3 4.22Å; P500-W532 HydrophobicContact CG-CE3 4.35Å; P500-W532 HydrophobicContact CG-CZ3 4.39Å; F503-W532 HydrophobicContact CB-CD2 4.23Å; F503-W532 HydrophobicContact CB-CG 4.46Å; F503-W532 HydrophobicContact CB-CZ2 3.84Å; F503-W532 HydrophobicContact CD2-CH2 4.07Å; F503-W532 AromaticContact CD2-CZ2 3.88Å; F503-W532 HydrophobicContact CD2-CZ2 3.88Å; F503-W532 AromaticContact CG-CZ2 3.96Å; F503-W532 HydrophobicContact CG-CZ2 3.96Å; R504-W532 HydrophobicContact CB-CB 3.81Å; R504-W532 HydrophobicContact CB-CG 4.34Å; R504-W532 HydrophobicContact CG-CB 4.46Å; V528-W532 VanDerWaalsContact CG1-CD1 3.45Å; V528-W532 PolarHBondContact O-N 3.14Å; G529-W532 PolarHBondContact O-N 3.09Å; W532-G534 PolarHBondContact O-N 3.36Å; W532-F535 HydrophobicContact CE3-CB 4.16Å; W532-F535 HydrophobicContact CE3-CD1 4.48Å; W532-F535 AromaticContact CE3-CD2 3.7Å; W532-F535 HydrophobicContact CE3-CD2 3.7Å; W532-F535 HydrophobicContact CE3-CE2 4.14Å; W532-F535 AromaticContact CE3-CG 3.89Å; W532-F535 HydrophobicContact CE3-CG 3.89Å; W532-F535 HydrophobicContact CH2-CE2 4.42Å; W532-F535 HydrophobicContact CZ3-CD1 4.4Å; W532-F535 AromaticContact CZ3-CD2 3.59Å; W532-F535 HydrophobicContact CZ3-CD2 3.59Å; W532-F535 HydrophobicContact CZ3-CE1 4.34Å; W532-F535 AromaticContact CZ3-CE2 3.53Å; W532-F535 HydrophobicContact CZ3-CE2 3.53Å; W532-F535 HydrophobicContact CZ3-CG 4.04Å; W532-F535 AromaticContact CZ3-CZ 3.91Å; W532-F535 HydrophobicContact CZ3-CZ 3.91Å; W532-F535 VanDerWaalsContact O-CB 3.25Å; W532-F535 WeakPolarHBondContact O-CB 3.42Å; W532-F535 PolarHBondContact O-N 3.08Å; W532-W558 HydrophobicContact CZ2-CZ3 4.22Å; W532-N612 HydrophobicContact CH2-CB 3.88Å; W532-N612 WeakPolarHBondContact CH2-OD1 3.39Å; W532-N612 HydrophobicContact CZ2-CB 4.24Å; W532-I768 HydrophobicContact CH2-CD1 3.48Å; W532-I768 VanDerWaalsContact CH2-CD1 3.48Å; W532-I768 HydrophobicContact CH2-CG1 3.74Å; W532-I768 HydrophobicContact CZ3-CD1 3.5Å; W532-I768 VanDerWaalsContact CZ3-CD1 3.5Å; W532-I768 HydrophobicContact CZ3-CG1 3.81Å
533	D	96.2	Very high	94.3	Very high	69 Å²	69	40.6 Å²	40.6	37%	0.369	24%	0.236	S	C	.	.	H	α-helix	trans	-65.6	-23.4	178.7	-67.9	-21.5	0	0	0	112.1	R504 G529 N540	R504-D533 VanDerWaalsContact CD-OD1 3.23Å; R504-D533 WeakPolarHBondContact CD-OD1 3.28Å; R504-D533 WeakPolarHBondContact CG-OD1 3.44Å; R504-D533 IonicContact CZ-OD2 3.73Å; R504-D533 VanDerWaalsContact CZ-OD2 3.29Å; R504-D533 IonicContact NE-OD1 3.43Å; R504-D533 PolarHBondContact NE-OD1 2.97Å; R504-D533 IonicContact NE-OD2 3.34Å; R504-D533 PolarHBondContact NE-OD2 3.28Å; R504-D533 IonicContact NH2-OD2 3.17Å; R504-D533 PolarHBondContact NH2-OD2 2.82Å; G529-D533 WeakPolarHBondContact O-CB 3.31Å; G529-D533 VanDerWaalsContact O-CG 3.3Å; G529-D533 PolarHBondContact O-N 3.41Å; D533-N540 WeakPolarHBondContact O-CB 3.36Å; D533-N540 PolarHBondContact O-ND2 2.92Å
534	G	95.4	Very high	93.9	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	0.8	172.3	0	0	0	0	0	115.9	W532 R541	W532-G534 PolarHBondContact O-N 3.36Å; G534-R541 WeakPolarHBondContact O-CG 3.41Å; G534-R541 PolarHBondContact O-NE 3.3Å
535	F	96.3	Very high	93.1	Very high	1 Å²	1	41.9 Å²	41.9	0%	0.004	24%	0.239	C	C	.	.	S	Bend	trans	-65.2	-49.7	-167.7	-166.7	-100.1	0	0	0	113	P500 F531 W532 R541 Y614 Y642 S766 I768	P500-F535 HydrophobicContact CB-CD1 4.18Å; P500-F535 HydrophobicContact CG-CD1 3.57Å; P500-F535 HydrophobicContact CG-CE1 3.82Å; P500-F535 HydrophobicContact CG-CG 4.35Å; F531-F535 AromaticContact CE1-CD2 3.77Å; F531-F535 HydrophobicContact CE1-CD2 3.77Å; F531-F535 HydrophobicContact CE1-CE2 4.04Å; F531-F535 AromaticContact CZ-CD2 3.87Å; F531-F535 HydrophobicContact CZ-CD2 3.87Å; F531-F535 HydrophobicContact CZ-CE2 4.01Å; F531-F535 PolarHBondContact O-N 3.42Å; W532-F535 HydrophobicContact CE3-CB 4.16Å; W532-F535 HydrophobicContact CE3-CD1 4.48Å; W532-F535 AromaticContact CE3-CD2 3.7Å; W532-F535 HydrophobicContact CE3-CD2 3.7Å; W532-F535 HydrophobicContact CE3-CE2 4.14Å; W532-F535 AromaticContact CE3-CG 3.89Å; W532-F535 HydrophobicContact CE3-CG 3.89Å; W532-F535 HydrophobicContact CH2-CE2 4.42Å; W532-F535 HydrophobicContact CZ3-CD1 4.4Å; W532-F535 AromaticContact CZ3-CD2 3.59Å; W532-F535 HydrophobicContact CZ3-CD2 3.59Å; W532-F535 HydrophobicContact CZ3-CE1 4.34Å; W532-F535 AromaticContact CZ3-CE2 3.53Å; W532-F535 HydrophobicContact CZ3-CE2 3.53Å; W532-F535 HydrophobicContact CZ3-CG 4.04Å; W532-F535 AromaticContact CZ3-CZ 3.91Å; W532-F535 HydrophobicContact CZ3-CZ 3.91Å; W532-F535 VanDerWaalsContact O-CB 3.25Å; W532-F535 WeakPolarHBondContact O-CB 3.42Å; W532-F535 PolarHBondContact O-N 3.08Å; F535-R541 PolarHBondContact O-NH2 3.2Å; F535-Y614 HydrophobicContact CB-CE1 4.38Å; F535-Y614 AromaticContact CD2-CD1 3.94Å; F535-Y614 HydrophobicContact CD2-CD1 3.94Å; F535-Y614 HydrophobicContact CD2-CE1 4.04Å; F535-Y642 HydrophobicContact CE1-CD1 4.1Å; F535-Y642 HydrophobicContact CE1-CE1 4.24Å; F535-S766 VanDerWaalsContact CE1-CB 3.45Å; F535-S766 VanDerWaalsContact CZ-C 3.44Å; F535-S766 WeakPolarHBondContact O-CB 3.39Å; F535-S766 PolarHBondContact O-OG 3.06Å; F535-I768 HydrophobicContact CE1-CG1 4.3Å; F535-I768 HydrophobicContact CE2-CG1 4.42Å; F535-I768 HydrophobicContact CZ-CD1 4.44Å; F535-I768 HydrophobicContact CZ-CG1 3.72Å
536	E	94.3	Very high	92.4	Very high	26 Å²	26	48.2 Å²	48.2	12%	0.121	25%	0.249	C	C	.	.	S	Bend	trans	-103.7	-12.4	172.6	-61.1	-163.3	143	0	0	113.9	Y642 G644 I645 P646 K647	E536-Y642 PolarHBondContact OE1-OH 3.18Å; E536-G644 WeakPolarHBondContact OE1-CA 3.42Å; E536-I645 PolarHBondContact OE1-N 2.85Å; E536-P646 WeakPolarHBondContact O-CA 3.48Å; E536-K647 PolarHBondContact O-N 2.82Å; E536-K647 WeakPolarHBondContact OE2-CE 3.1Å; E536-K647 IonicContact OE2-NZ 3.89Å; E536-K647 PolarHBondContact OE2-NZ 2.82Å
537	D	92.5	Very high	91.5	Very high	60 Å²	60	54.4 Å²	54.4	32%	0.321	28%	0.276	S	S	.	.			trans	-108.9	93.9	-175	-162.1	-23.3	0	0	0	110	P539 N540	D537-P539 VanDerWaalsContact OD1-CD 3.23Å; D537-P539 WeakPolarHBondContact OD1-CD 3.14Å; D537-N540 HydrophobicContact CB-CB 4.27Å; D537-N540 WeakPolarHBondContact CB-ND2 3.35Å; D537-N540 PolarHBondContact O-N 3.19Å; D537-N540 VanDerWaalsContact O-N 3.12Å; D537-N540 PolarHBondContact OD2-ND2 3.05Å
538	V	90.3	Very high	90.9	Very high	27 Å²	27	58.2 Å²	58.2	16%	0.164	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-59.3	-42.8	-174.6	177.3	0	0	0	0	112.8	N540 R541 P550 P646	V538-N540 VanDerWaalsContact C-N 3.25Å; V538-N540 PolarHBondContact O-N 3.41Å; V538-R541 WeakPolarHBondContact O-CB 3.38Å; V538-R541 PolarHBondContact O-N 3.09Å; V538-P550 HydrophobicContact CG1-CB 3.99Å; V538-P550 HydrophobicContact CG1-CG 3.89Å; V538-P646 HydrophobicContact CG2-CB 4.04Å; V538-P646 HydrophobicContact CG2-CG 4.4Å
539	P	90.7	Very high	90.5	Very high	86 Å²	86	63.6 Å²	63.6	56%	0.558	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-48.1	-37.1	169.2	-33.9	35.2	0	0	0	116.7	D537	D537-P539 VanDerWaalsContact OD1-CD 3.23Å; D537-P539 WeakPolarHBondContact OD1-CD 3.14Å
540	N	92.9	Very high	90.3	Very high	89 Å²	89	64.9 Å²	64.9	48%	0.476	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-83.6	-11.4	-175.9	-61	-16.4	0	0	0	113.6	D533 D537 V538	D533-N540 WeakPolarHBondContact O-CB 3.36Å; D533-N540 PolarHBondContact O-ND2 2.92Å; D537-N540 HydrophobicContact CB-CB 4.27Å; D537-N540 WeakPolarHBondContact CB-ND2 3.35Å; D537-N540 PolarHBondContact O-N 3.19Å; D537-N540 VanDerWaalsContact O-N 3.12Å; D537-N540 PolarHBondContact OD2-ND2 3.05Å; V538-N540 VanDerWaalsContact C-N 3.25Å; V538-N540 PolarHBondContact O-N 3.41Å
541	R	94.4	Very high	90.1	Very high	17 Å²	17	62.9 Å²	62.9	6%	0.064	31%	0.312	C	S	.	.	S	Bend	trans	-62	142.5	178.8	-66.2	178.5	176.9	-174.3	-2.1	110.8	G534 F535 V538 K543 P550 Y614 S766	G534-R541 WeakPolarHBondContact O-CG 3.41Å; G534-R541 PolarHBondContact O-NE 3.3Å; F535-R541 PolarHBondContact O-NH2 3.2Å; V538-R541 WeakPolarHBondContact O-CB 3.38Å; V538-R541 PolarHBondContact O-N 3.09Å; R541-K543 PolarHBondContact O-N 3.29Å; R541-P550 HydrophobicContact CB-CB 4.18Å; R541-Y614 HydrophobicContact CB-CE2 4.17Å; R541-Y614 HydrophobicContact CG-CD2 4.21Å; R541-Y614 HydrophobicContact CG-CE2 3.57Å; R541-S766 PolarHBondContact NH2-OG 3Å
542	L	93.6	Very high	90	Very high	52 Å²	52	63.1 Å²	63.1	27%	0.272	31%	0.313	S	S	.	.			trans	-53.3	135.6	167.6	-57.7	177.1	0	0	0	110	L514 A526 D530 M551 L553	L514-L542 HydrophobicContact CD1-CD1 3.9Å; A526-L542 HydrophobicContact CB-CD1 4.16Å; D530-L542 HydrophobicContact CB-CD1 4.32Å; D530-L542 HydrophobicContact CB-CD2 4.32Å; D530-L542 HydrophobicContact CB-CG 4.42Å; L542-M551 HydrophobicContact CB-CE 3.7Å; L542-M551 WeakPolarHBondContact O-CB 3.23Å; L542-M551 PolarHBondContact O-N 3.4Å; L542-L553 HydrophobicContact CB-CD1 4.19Å; L542-L553 HydrophobicContact CD1-CD1 4.25Å; L542-L553 HydrophobicContact CG-CD1 4.47Å
543	K	92	Very high	89.9	Confident	102 Å²	102	62.6 Å²	62.6	44%	0.443	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-106.4	146.5	-173.1	-70.8	167.3	-179.2	-175.8	0	110.5	R541 K548 E549	R541-K543 PolarHBondContact O-N 3.29Å; K543-K548 WeakPolarHBondContact CD-O 3.12Å; K543-K548 WeakPolarHBondContact CG-O 3.4Å; K543-E549 CarbonylContact C-O 3.44Å; K543-E549 VanDerWaalsContact CA-O 3.27Å; K543-E549 WeakPolarHBondContact CA-O 3.42Å
544	N	84.8	Confident	90	Very high	35 Å²	35	61.6 Å²	61.6	19%	0.187	30%	0.304	C	S	.	.			trans	-67.5	153.5	176.8	77.8	22.4	0	0	0	110.7	K546 E547 K548 E549 M551	N544-K546 PolarHBondContact O-N 2.84Å; N544-E547 PolarHBondContact ND2-OE2 3.09Å; N544-E547 WeakPolarHBondContact OD1-CA 3.42Å; N544-E547 WeakPolarHBondContact OD1-CB 3.32Å; N544-E547 PolarHBondContact OD1-N 3.44Å; N544-K548 VanDerWaalsContact O-CA 3.3Å; N544-K548 WeakPolarHBondContact O-CA 3.4Å; N544-K548 PolarHBondContact O-N 2.93Å; N544-K548 PolarHBondContact OD1-N 2.91Å; N544-E549 PolarHBondContact N-O 3.41Å; N544-M551 HydrophobicContact CB-CG 3.97Å; N544-M551 HydrophobicContact CB-SD 4.01Å
545	D	77.3	Confident	89.9	Confident	136 Å²	136	62.2 Å²	62.2	73%	0.727	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-22.9	-173.4	-97	-39.8	0	0	0	114.9	K548	D545-K548 VanDerWaalsContact O-CE 3.25Å; D545-K548 WeakPolarHBondContact O-CE 3.25Å; D545-K548 IonicContact OD1-NZ 2.71Å; D545-K548 PolarHBondContact OD1-NZ 3.37Å
546	K	75.6	Confident	89.6	Confident	197 Å²	197	65.4 Å²	65.4	86%	0.857	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-40.6	-170.5	-65.5	171.8	-176.9	165.5	0	113.4	N544	N544-K546 PolarHBondContact O-N 2.84Å
547	E	74.6	Confident	89.1	Confident	138 Å²	138	69.9 Å²	69.9	65%	0.645	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.7	-16.5	-171.9	-59.3	152	167.9	0	0	111.3	N544 E549	N544-E547 PolarHBondContact ND2-OE2 3.09Å; N544-E547 WeakPolarHBondContact OD1-CA 3.42Å; N544-E547 WeakPolarHBondContact OD1-CB 3.32Å; N544-E547 PolarHBondContact OD1-N 3.44Å; E547-E549 HydrophobicContact CB-CB 4.45Å; E547-E549 HydrophobicContact CB-CG 4.15Å; E547-E549 PolarHBondContact O-N 2.85Å
548	K	84.1	Confident	88.9	Confident	116 Å²	116	67.4 Å²	67.4	50%	0.504	33%	0.332	S	S	.	.			trans	61.2	23.1	-173.4	-56.1	-66.6	167.2	-172.1	0	113.8	K543 N544 D545	K543-K548 WeakPolarHBondContact CD-O 3.12Å; K543-K548 WeakPolarHBondContact CG-O 3.4Å; N544-K548 VanDerWaalsContact O-CA 3.3Å; N544-K548 WeakPolarHBondContact O-CA 3.4Å; N544-K548 PolarHBondContact O-N 2.93Å; N544-K548 PolarHBondContact OD1-N 2.91Å; D545-K548 VanDerWaalsContact O-CE 3.25Å; D545-K548 WeakPolarHBondContact O-CE 3.25Å; D545-K548 IonicContact OD1-NZ 2.71Å; D545-K548 PolarHBondContact OD1-NZ 3.37Å
549	E	87	Confident	88.6	Confident	114 Å²	114	67.1 Å²	67.1	53%	0.533	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-79.4	145.6	173.1	-76	-59	147.4	0	0	112.5	K543 N544 E547 M551	K543-E549 CarbonylContact C-O 3.44Å; K543-E549 VanDerWaalsContact CA-O 3.27Å; K543-E549 WeakPolarHBondContact CA-O 3.42Å; N544-E549 PolarHBondContact N-O 3.41Å; E547-E549 HydrophobicContact CB-CB 4.45Å; E547-E549 HydrophobicContact CB-CG 4.15Å; E547-E549 PolarHBondContact O-N 2.85Å; E549-M551 PolarHBondContact O-N 3.47Å
550	P	91.6	Very high	87.9	Confident	27 Å²	27	66.9 Å²	66.9	18%	0.175	33%	0.329	C	S	.	.	B	Isolated β-bridge	trans	-59.5	129.7	175.5	-24.9	36.1	0	0	0	113	R518 V538 R541	R518-P550 PolarHBondContact NH1-O 2.67Å; V538-P550 HydrophobicContact CG1-CB 3.99Å; V538-P550 HydrophobicContact CG1-CG 3.89Å; R541-P550 HydrophobicContact CB-CB 4.18Å
551	M	93.8	Very high	86.5	Confident	19 Å²	19	67 Å²	67	9%	0.094	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-81.6	149.3	178	-62.7	-171.2	-73.9	0	0	112.2	I523 L542 N544 E549 L553 Y614	I523-M551 HydrophobicContact CD1-CE 3.53Å; I523-M551 HydrophobicContact CD1-SD 3.94Å; L542-M551 HydrophobicContact CB-CE 3.7Å; L542-M551 WeakPolarHBondContact O-CB 3.23Å; L542-M551 PolarHBondContact O-N 3.4Å; N544-M551 HydrophobicContact CB-CG 3.97Å; N544-M551 HydrophobicContact CB-SD 4.01Å; E549-M551 PolarHBondContact O-N 3.47Å; M551-L553 HydrophobicContact CB-CD2 3.61Å; M551-L553 HydrophobicContact CB-CG 4.01Å; M551-L553 HydrophobicContact CE-CD2 4.43Å; M551-Y614 WeakPolarHBondContact O-CD2 3.34Å
552	V	94.8	Very high	84.7	Confident	4 Å²	4	73.1 Å²	73.1	2%	0.024	38%	0.381	C	S	.	.			trans	-95.6	106.8	169.8	178.8	0	0	0	0	107.7	C517 G615 L616	C517-V552 HydrophobicContact CB-CG1 4.1Å; C517-V552 PolarHBondContact N-O 3.43Å; V552-G615 WeakPolarHBondContact CG1-O 3.5Å; V552-L616 HydrophobicContact CB-CD2 4.22Å; V552-L616 HydrophobicContact CG1-CD2 3.73Å; V552-L616 HydrophobicContact CG1-CG 3.95Å; V552-L616 HydrophobicContact CG2-CD2 4.37Å
553	L	96.8	Very high	83.5	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	149.3	-168.7	-57	178.6	0	0	0	111.8	L514 V515 N516 I523 F531 L542 M551 A613 Y614	L514-L553 HydrophobicContact CD1-CD1 3.98Å; V515-L553 WeakPolarHBondContact O-CA 3.28Å; N516-L553 HydrophobicContact CB-CD2 4.3Å; I523-L553 HydrophobicContact CD1-CD2 3.65Å; F531-L553 HydrophobicContact CD2-CB 4.23Å; F531-L553 HydrophobicContact CE2-CB 4.25Å; L542-L553 HydrophobicContact CB-CD1 4.19Å; L542-L553 HydrophobicContact CD1-CD1 4.25Å; L542-L553 HydrophobicContact CG-CD1 4.47Å; M551-L553 HydrophobicContact CB-CD2 3.61Å; M551-L553 HydrophobicContact CB-CG 4.01Å; M551-L553 HydrophobicContact CE-CD2 4.43Å; L553-A613 WeakPolarHBondContact O-CA 3.49Å; L553-Y614 HydrophobicContact CB-CD2 4.04Å; L553-Y614 HydrophobicContact CB-CE2 3.75Å; L553-Y614 HydrophobicContact CD1-CE2 3.95Å; L553-Y614 HydrophobicContact CG-CD2 4.34Å; L553-Y614 HydrophobicContact CG-CE2 3.82Å; L553-Y614 VanDerWaalsContact N-CD2 3.34Å; L553-Y614 PolarHBondContact O-N 3.48Å
554	K	96.4	Very high	83	Confident	47 Å²	47	68.3 Å²	68.3	20%	0.204	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	142.7	161	63.7	-175.9	168.2	-173.9	0	110.3	L514 V515 N612 A613 T626	L514-K554 WeakPolarHBondContact CA-O 3.2Å; V515-K554 HydrophobicContact CB-CD 4.48Å; V515-K554 HydrophobicContact CB-CG 3.82Å; V515-K554 HydrophobicContact CG1-CG 4.47Å; V515-K554 PolarHBondContact N-O 3.1Å; V515-K554 PolarHBondContact O-N 2.92Å; K554-N612 WeakPolarHBondContact CA-O 3.43Å; K554-A613 HydrophobicContact CB-CB 3.56Å; K554-T626 WeakPolarHBondContact CD-O 3.47Å; K554-T626 PolarHBondContact NZ-O 2.93Å
555	L	94.1	Very high	83	Confident	13 Å²	13	71 Å²	71	7%	0.068	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	124	174.2	-166.6	62.7	0	0	0	108.1	V512 L514 F531 W558 N612	V512-L555 HydrophobicContact CB-CD1 4Å; V512-L555 HydrophobicContact CG1-CD1 4.17Å; V512-L555 HydrophobicContact CG2-CD1 3.72Å; L514-L555 HydrophobicContact CD2-CB 4.49Å; L514-L555 HydrophobicContact CD2-CD1 3.42Å; L514-L555 VanDerWaalsContact CD2-CD1 3.42Å; F531-L555 HydrophobicContact CD1-CD2 4.39Å; F531-L555 HydrophobicContact CE1-CB 4.39Å; F531-L555 HydrophobicContact CE2-CB 4.47Å; F531-L555 HydrophobicContact CG-CD1 4.43Å; F531-L555 HydrophobicContact CZ-CB 4.38Å; L555-W558 HydrophobicContact CD2-CB 3.79Å; L555-W558 HydrophobicContact CD2-CD2 3.66Å; L555-W558 HydrophobicContact CD2-CE3 3.36Å; L555-W558 HydrophobicContact CD2-CG 3.85Å; L555-W558 HydrophobicContact CD2-CZ3 4.11Å; L555-W558 HydrophobicContact CG-CB 3.74Å; L555-W558 HydrophobicContact CG-CG 4.23Å; L555-N612 HydrophobicContact CB-CB 3.99Å; L555-N612 HydrophobicContact CD2-CB 4.13Å; L555-N612 PolarHBondContact N-O 3.23Å
556	K	89.7	Confident	83.4	Confident	68 Å²	68	70 Å²	70	30%	0.296	36%	0.362	S	S	.	.			trans	-91	133.9	-175.8	177.6	-176.7	154.9	-152.8	0	110.6	D513 V515 W558	D513-K556 HydrophobicContact CB-CB 3.99Å; D513-K556 HydrophobicContact CB-CD 3.79Å; D513-K556 HydrophobicContact CB-CG 4.37Å; D513-K556 WeakPolarHBondContact O-CB 3.42Å; D513-K556 PolarHBondContact O-N 3.47Å; D513-K556 VanDerWaalsContact O-N 3.1Å; D513-K556 IonicContact OD2-NZ 2.72Å; D513-K556 PolarHBondContact OD2-NZ 3.38Å; V515-K556 HydrophobicContact CG2-CB 4.15Å; V515-K556 HydrophobicContact CG2-CD 4.15Å; K556-W558 PolarHBondContact O-N 3.48Å
557	D	83.6	Confident	83.9	Confident	121 Å²	121	62.7 Å²	62.7	65%	0.647	33%	0.331	S	S	*	.	S	Bend	trans	46.3	40.8	169.1	-53.4	-34.6	0	0	0	114.7	P559 P560	D557-P559 CarbonylContact O-C 3.55Å; D557-P559 VanDerWaalsContact O-C 3.32Å; D557-P560 WeakPolarHBondContact O-CA 3.42Å
558	W	88.2	Confident	84.8	Confident	7 Å²	7	56.2 Å²	56.2	3%	0.027	30%	0.301	C	S	.	.			trans	-118	123.2	-178.7	-169	84.1	0	0	0	111.7	F503 F507 V512 V528 W532 L555 K556 M567 M568 M610	F503-W558 HydrophobicContact CB-CH2 4.39Å; F503-W558 AromaticContact CD1-CH2 3.96Å; F503-W558 HydrophobicContact CD1-CH2 3.96Å; F503-W558 HydrophobicContact CD1-CZ3 4.21Å; F503-W558 HydrophobicContact CG-CH2 4.5Å; F507-W558 HydrophobicContact CB-CH2 4.19Å; F507-W558 HydrophobicContact CB-CZ2 3.63Å; F507-W558 AromaticContact CD2-CH2 3.87Å; F507-W558 HydrophobicContact CD2-CH2 3.87Å; F507-W558 AromaticContact CD2-CZ2 3.96Å; F507-W558 HydrophobicContact CD2-CZ2 3.96Å; F507-W558 HydrophobicContact CG-CH2 4.18Å; F507-W558 AromaticContact CG-CZ2 3.79Å; F507-W558 HydrophobicContact CG-CZ2 3.79Å; V512-W558 HydrophobicContact CG1-CG 4.4Å; V528-W558 HydrophobicContact CG1-CH2 4.37Å; V528-W558 HydrophobicContact CG1-CZ2 4.16Å; V528-W558 HydrophobicContact CG2-CZ2 4.39Å; W532-W558 HydrophobicContact CZ2-CZ3 4.22Å; L555-W558 HydrophobicContact CD2-CB 3.79Å; L555-W558 HydrophobicContact CD2-CD2 3.66Å; L555-W558 HydrophobicContact CD2-CE3 3.36Å; L555-W558 HydrophobicContact CD2-CG 3.85Å; L555-W558 HydrophobicContact CD2-CZ3 4.11Å; L555-W558 HydrophobicContact CG-CB 3.74Å; L555-W558 HydrophobicContact CG-CG 4.23Å; K556-W558 PolarHBondContact O-N 3.48Å; W558-M567 HydrophobicContact CH2-CE 4.25Å; W558-M567 HydrophobicContact CZ2-CE 3.59Å; W558-M568 HydrophobicContact CH2-SD 4.44Å; W558-M610 HydrophobicContact CE3-CE 3.72Å; W558-M610 HydrophobicContact CH2-CE 4.28Å; W558-M610 HydrophobicContact CZ3-CE 3.28Å
559	P	84.8	Confident	85.2	Confident	22 Å²	22	53.7 Å²	53.7	14%	0.143	30%	0.296	C	S	.	.	S	Bend	cis	-67.6	144.1	6	-23	36	0	0	0	115	D557 G561 F564 M567 M568	D557-P559 CarbonylContact O-C 3.55Å; D557-P559 VanDerWaalsContact O-C 3.32Å; P559-G561 PolarHBondContact O-N 3.02Å; P559-F564 HydrophobicContact CG-CD2 3.82Å; P559-F564 HydrophobicContact CG-CE2 4.42Å; P559-F564 HydrophobicContact CG-CG 4.49Å; P559-M567 HydrophobicContact CB-CE 3.72Å; P559-M567 HydrophobicContact CB-SD 4.05Å; P559-M567 HydrophobicContact CG-CE 3.69Å; P559-M568 HydrophobicContact CG-CE 3.53Å
560	P	75.3	Confident	85.6	Confident	81 Å²	81	51.6 Å²	51.6	53%	0.526	29%	0.294	S	S	.	.			trans	-87.3	111.3	-174.1	33	-33.4	0	0	0	113.1	D557 E562	D557-P560 WeakPolarHBondContact O-CA 3.42Å; P560-E562 PolarHBondContact O-N 3.3Å
561	G	63.2	Low	85.9	Confident	91 Å²	91	50.6 Å²	50.6	94%	0.938	29%	0.287	S	S	*	.	S	Bend	trans	71.8	-24.4	156.4	0	0	0	0	0	118.8	P559	P559-G561 PolarHBondContact O-N 3.02Å
562	E	56.9	Low	85.9	Confident	146 Å²	146	50.3 Å²	50.3	68%	0.682	29%	0.285	S	S	*	.	S	Bend	trans	-90.3	163.9	171.7	-60.4	-166.8	150.1	0	0	111.3	P560 F564	P560-E562 PolarHBondContact O-N 3.3Å; E562-F564 PolarHBondContact O-N 2.86Å
563	D	68.8	Low	86	Confident	46 Å²	46	54.4 Å²	54.4	25%	0.246	31%	0.307	C	S	.	.			trans	-60.1	128.1	174.7	-171.4	-20.8	0	0	0	108.6	R565 D566 R587	D563-R565 HydrophobicContact CB-CB 4.41Å; D563-R565 PolarHBondContact O-N 2.75Å; D563-R565 WeakPolarHBondContact OD1-CB 3.5Å; D563-R565 PolarHBondContact OD1-N 2.85Å; D563-D566 PolarHBondContact O-N 2.66Å; D563-R587 VanDerWaalsContact CG-NH2 3.31Å; D563-R587 IonicContact OD1-CZ 3.65Å; D563-R587 IonicContact OD1-NH1 2.73Å; D563-R587 IonicContact OD1-NH2 2.77Å; D563-R587 PolarHBondContact OD1-NH2 3.02Å; D563-R587 IonicContact OD2-CZ 2.73Å; D563-R587 IonicContact OD2-NH1 3.47Å; D563-R587 PolarHBondContact OD2-NH1 3.44Å; D563-R587 IonicContact OD2-NH2 3.67Å; D563-R587 PolarHBondContact OD2-NH2 3.25Å; D563-R587 VanDerWaalsContact OD2-NH2 3.13Å
564	F	82.1	Confident	86	Confident	6 Å²	6	55.5 Å²	55.5	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-49.1	-30.6	174.5	177.8	-70.9	0	0	0	111.7	W498 P559 E562 D566 M568 R571 F572 P608 M610 V770	W498-F564 HydrophobicContact CH2-CZ 4.12Å; W498-F564 HydrophobicContact CZ3-CZ 4.22Å; P559-F564 HydrophobicContact CG-CD2 3.82Å; P559-F564 HydrophobicContact CG-CE2 4.42Å; P559-F564 HydrophobicContact CG-CG 4.49Å; E562-F564 PolarHBondContact O-N 2.86Å; F564-D566 VanDerWaalsContact C-N 3.33Å; F564-D566 PolarHBondContact O-N 2.83Å; F564-M568 HydrophobicContact CD1-CB 4.45Å; F564-M568 HydrophobicContact CD2-CE 3.83Å; F564-M568 HydrophobicContact CE1-CB 4.24Å; F564-M568 HydrophobicContact CE1-CE 4.2Å; F564-M568 HydrophobicContact CE2-CE 3.4Å; F564-M568 HydrophobicContact CG-CE 4.39Å; F564-M568 HydrophobicContact CZ-CE 3.61Å; F564-M568 CarbonylContact O-C 3.36Å; F564-M568 WeakPolarHBondContact O-CA 3.44Å; F564-M568 PolarHBondContact O-N 3.15Å; F564-R571 HydrophobicContact CE1-CB 3.74Å; F564-R571 HydrophobicContact CZ-CB 3.96Å; F564-F572 HydrophobicContact CD1-CB 4.07Å; F564-F572 HydrophobicContact CD1-CD2 4.41Å; F564-F572 HydrophobicContact CE1-CB 4.28Å; F564-P608 HydrophobicContact CB-CG 4.05Å; F564-P608 WeakPolarHBondContact CB-O 3.44Å; F564-P608 HydrophobicContact CD1-CG 3.76Å; F564-P608 HydrophobicContact CD2-CG 4.44Å; F564-P608 WeakPolarHBondContact CD2-O 3.33Å; F564-P608 HydrophobicContact CE1-CG 4.28Å; F564-P608 HydrophobicContact CG-CG 3.87Å; F564-M610 HydrophobicContact CE2-CB 4.13Å; F564-M610 HydrophobicContact CE2-SD 3.91Å; F564-M610 HydrophobicContact CZ-SD 4.35Å; F564-V770 HydrophobicContact CE2-CG1 4.16Å; F564-V770 HydrophobicContact CZ-CG1 4.35Å
565	R	84.8	Confident	86	Confident	93 Å²	93	53.3 Å²	53.3	35%	0.351	30%	0.304	S	S	.	.	H	α-helix	trans	-60.5	-34.7	173.9	-170.3	172	-165.7	-124.4	-4.7	114.6	D563 P569 F572	D563-R565 HydrophobicContact CB-CB 4.41Å; D563-R565 PolarHBondContact O-N 2.75Å; D563-R565 WeakPolarHBondContact OD1-CB 3.5Å; D563-R565 PolarHBondContact OD1-N 2.85Å; R565-P569 WeakPolarHBondContact O-CA 3.42Å; R565-P569 VanDerWaalsContact O-CB 3.29Å; R565-P569 WeakPolarHBondContact O-CB 3.25Å; R565-P569 VanDerWaalsContact O-CD 3.31Å; R565-P569 WeakPolarHBondContact O-CD 3.33Å; R565-F572 HydrophobicContact CB-CB 4.17Å; R565-F572 HydrophobicContact CB-CD1 4.12Å; R565-F572 HydrophobicContact CB-CD2 3.66Å; R565-F572 HydrophobicContact CB-CE1 4.49Å; R565-F572 HydrophobicContact CB-CE2 4.06Å; R565-F572 HydrophobicContact CB-CG 3.69Å; R565-F572 HydrophobicContact CB-CZ 4.45Å; R565-F572 VanDerWaalsContact CD-CE1 3.45Å; R565-F572 HydrophobicContact CG-CB 4.17Å; R565-F572 HydrophobicContact CG-CD1 3.59Å; R565-F572 HydrophobicContact CG-CD2 4.08Å; R565-F572 HydrophobicContact CG-CE1 3.96Å; R565-F572 HydrophobicContact CG-CE2 4.41Å; R565-F572 HydrophobicContact CG-CG 3.66Å; R565-F572 HydrophobicContact CG-CZ 4.36Å; R565-F572 VanDerWaalsContact NE-CE1 3.34Å
566	D	85.6	Confident	86	Confident	115 Å²	115	53.5 Å²	53.5	62%	0.615	30%	0.304	S	S	*	.	H	α-helix	trans	-82.1	-39	-175.4	-65.4	-27.3	0	0	0	110.7	D563 F564	D563-D566 PolarHBondContact O-N 2.66Å; F564-D566 VanDerWaalsContact C-N 3.33Å; F564-D566 PolarHBondContact O-N 2.83Å
567	M	86.6	Confident	86.3	Confident	42 Å²	42	53.6 Å²	53.6	21%	0.207	32%	0.317	C	S	.	.	H	α-helix	trans	-77.3	-35.7	174.3	-161.9	-175.9	86.7	0	0	113.1	F507 W558 P559	F507-M567 HydrophobicContact CD1-CE 4.29Å; F507-M567 HydrophobicContact CE1-CE 4.28Å; F507-M567 HydrophobicContact CE1-CG 4.23Å; W558-M567 HydrophobicContact CH2-CE 4.25Å; W558-M567 HydrophobicContact CZ2-CE 3.59Å; P559-M567 HydrophobicContact CB-CE 3.72Å; P559-M567 HydrophobicContact CB-SD 4.05Å; P559-M567 HydrophobicContact CG-CE 3.69Å
568	M	92.1	Very high	86.9	Confident	2 Å²	2	49.3 Å²	49.3	1%	0.01	30%	0.295	C	S	.	.			trans	-135.6	58	-172.9	-63.6	-166.3	-62.1	0	0	113.5	F503 F507 W558 P559 F564 S570 R571 F572 M610	F503-M568 HydrophobicContact CD1-SD 4.06Å; F503-M568 HydrophobicContact CE1-CE 4.38Å; F503-M568 HydrophobicContact CE1-SD 3.73Å; F507-M568 HydrophobicContact CD2-SD 4.35Å; F507-M568 HydrophobicContact CE1-CG 4.35Å; F507-M568 HydrophobicContact CE2-CG 3.97Å; F507-M568 HydrophobicContact CE2-SD 3.62Å; F507-M568 HydrophobicContact CZ-CG 3.6Å; F507-M568 HydrophobicContact CZ-SD 3.91Å; W558-M568 HydrophobicContact CH2-SD 4.44Å; P559-M568 HydrophobicContact CG-CE 3.53Å; F564-M568 HydrophobicContact CD1-CB 4.45Å; F564-M568 HydrophobicContact CD2-CE 3.83Å; F564-M568 HydrophobicContact CE1-CB 4.24Å; F564-M568 HydrophobicContact CE1-CE 4.2Å; F564-M568 HydrophobicContact CE2-CE 3.4Å; F564-M568 HydrophobicContact CG-CE 4.39Å; F564-M568 HydrophobicContact CZ-CE 3.61Å; F564-M568 CarbonylContact O-C 3.36Å; F564-M568 WeakPolarHBondContact O-CA 3.44Å; F564-M568 PolarHBondContact O-N 3.15Å; M568-S570 VanDerWaalsContact C-N 3.33Å; M568-S570 PolarHBondContact O-N 3.48Å; M568-R571 HydrophobicContact CB-CB 4.21Å; M568-R571 PolarHBondContact O-N 3.13Å; M568-F572 PolarHBondContact O-N 3.44Å; M568-M610 HydrophobicContact CE-CE 3.87Å; M568-M610 HydrophobicContact CE-SD 4.33Å
569	P	93.4	Very high	87.3	Confident	63 Å²	63	49.2 Å²	49.2	41%	0.409	30%	0.295	S	S	.	.	H	α-helix	trans	-55.6	-41.9	-173.1	19.4	-32	0	0	0	113.7	R565 R571 F572 D573	R565-P569 WeakPolarHBondContact O-CA 3.42Å; R565-P569 VanDerWaalsContact O-CB 3.29Å; R565-P569 WeakPolarHBondContact O-CB 3.25Å; R565-P569 VanDerWaalsContact O-CD 3.31Å; R565-P569 WeakPolarHBondContact O-CD 3.33Å; P569-R571 VanDerWaalsContact C-N 3.28Å; P569-R571 PolarHBondContact O-N 2.74Å; P569-F572 WeakPolarHBondContact O-CB 3.38Å; P569-F572 PolarHBondContact O-N 3.44Å; P569-D573 PolarHBondContact O-N 3.17Å
570	S	96.1	Very high	87.9	Confident	70 Å²	70	48.2 Å²	48.2	49%	0.49	29%	0.288	S	S	.	.	H	α-helix	trans	-62.8	-31.6	179	-47.9	0	0	0	0	113.5	L497 M568 D574	L497-S570 WeakPolarHBondContact CD1-O 3.36Å; M568-S570 VanDerWaalsContact C-N 3.33Å; M568-S570 PolarHBondContact O-N 3.48Å; S570-D574 WeakPolarHBondContact O-CB 3.3Å; S570-D574 PolarHBondContact O-N 3.42Å
571	R	96.5	Very high	88.9	Confident	6 Å²	6	44.5 Å²	44.5	2%	0.023	26%	0.264	C	S	.	.	H	α-helix	trans	-78.6	-38.2	175.6	-79.8	72.5	172.9	-166.4	7.4	110.6	L497 W498 S502 E506 F564 M568 P569 L575	L497-R571 HydrophobicContact CB-CG 4.29Å; L497-R571 PolarHBondContact O-NE 2.91Å; L497-R571 PolarHBondContact O-NH2 3.27Å; W498-R571 HydrophobicContact CD2-CG 4.4Å; W498-R571 HydrophobicContact CE3-CG 4.14Å; W498-R571 HydrophobicContact CH2-CB 3.55Å; W498-R571 HydrophobicContact CH2-CG 3.84Å; W498-R571 HydrophobicContact CZ2-CB 3.88Å; W498-R571 HydrophobicContact CZ2-CG 4.07Å; W498-R571 WeakPolarHBondContact CZ2-O 3.47Å; W498-R571 HydrophobicContact CZ3-CB 4Å; W498-R571 HydrophobicContact CZ3-CG 3.85Å; S502-R571 PolarHBondContact OG-NH2 2.97Å; E506-R571 IonicContact OE1-CZ 3.83Å; E506-R571 IonicContact OE1-NH1 2.7Å; E506-R571 IonicContact OE1-NH2 3.4Å; E506-R571 PolarHBondContact OE1-NH2 2.95Å; E506-R571 IonicContact OE2-CZ 3.34Å; E506-R571 IonicContact OE2-NH1 3.18Å; E506-R571 PolarHBondContact OE2-NH1 3.41Å; E506-R571 IonicContact OE2-NH2 3.72Å; E506-R571 PolarHBondContact OE2-NH2 3.36Å; F564-R571 HydrophobicContact CE1-CB 3.74Å; F564-R571 HydrophobicContact CZ-CB 3.96Å; M568-R571 HydrophobicContact CB-CB 4.21Å; M568-R571 PolarHBondContact O-N 3.13Å; P569-R571 VanDerWaalsContact C-N 3.28Å; P569-R571 PolarHBondContact O-N 2.74Å; R571-L575 VanDerWaalsContact O-CB 3.31Å; R571-L575 WeakPolarHBondContact O-CB 3.42Å; R571-L575 PolarHBondContact O-N 2.91Å
572	F	94.8	Very high	90.4	Very high	14 Å²	14	42.9 Å²	42.9	6%	0.061	24%	0.237	C	C	.	.	H	α-helix	trans	-60.5	-50	175.9	178.6	-87.5	0	0	0	111.3	F564 R565 M568 P569 L575 M576 P608	F564-F572 HydrophobicContact CD1-CB 4.07Å; F564-F572 HydrophobicContact CD1-CD2 4.41Å; F564-F572 HydrophobicContact CE1-CB 4.28Å; R565-F572 HydrophobicContact CB-CB 4.17Å; R565-F572 HydrophobicContact CB-CD1 4.12Å; R565-F572 HydrophobicContact CB-CD2 3.66Å; R565-F572 HydrophobicContact CB-CE1 4.49Å; R565-F572 HydrophobicContact CB-CE2 4.06Å; R565-F572 HydrophobicContact CB-CG 3.69Å; R565-F572 HydrophobicContact CB-CZ 4.45Å; R565-F572 VanDerWaalsContact CD-CE1 3.45Å; R565-F572 HydrophobicContact CG-CB 4.17Å; R565-F572 HydrophobicContact CG-CD1 3.59Å; R565-F572 HydrophobicContact CG-CD2 4.08Å; R565-F572 HydrophobicContact CG-CE1 3.96Å; R565-F572 HydrophobicContact CG-CE2 4.41Å; R565-F572 HydrophobicContact CG-CG 3.66Å; R565-F572 HydrophobicContact CG-CZ 4.36Å; R565-F572 VanDerWaalsContact NE-CE1 3.34Å; M568-F572 PolarHBondContact O-N 3.44Å; P569-F572 WeakPolarHBondContact O-CB 3.38Å; P569-F572 PolarHBondContact O-N 3.44Å; F572-L575 PolarHBondContact O-N 2.88Å; F572-M576 HydrophobicContact CD1-CG 4.19Å; F572-M576 HydrophobicContact CD2-CG 4.29Å; F572-M576 HydrophobicContact CE1-CB 4.37Å; F572-M576 HydrophobicContact CE1-CG 3.8Å; F572-M576 HydrophobicContact CE2-CE 4.35Å; F572-M576 HydrophobicContact CE2-CG 3.91Å; F572-M576 HydrophobicContact CG-CG 4.42Å; F572-M576 HydrophobicContact CZ-CG 3.65Å; F572-M576 WeakPolarHBondContact O-CB 3.2Å; F572-M576 VanDerWaalsContact O-CG 3.3Å; F572-M576 WeakPolarHBondContact O-CG 3.42Å; F572-M576 PolarHBondContact O-N 3.1Å; F572-P608 HydrophobicContact CD2-CG 3.73Å; F572-P608 HydrophobicContact CE2-CG 4.09Å
573	D	95.5	Very high	92.1	Very high	89 Å²	89	38 Å²	38	48%	0.476	21%	0.214	S	C	.	.	H	α-helix	trans	-67.1	-38.8	-179	-73.5	-18.1	0	0	0	111.6	P569 A577	P569-D573 PolarHBondContact O-N 3.17Å; D573-A577 WeakPolarHBondContact O-CB 3.42Å; D573-A577 PolarHBondContact O-N 2.99Å
574	D	97.6	Very high	93.4	Very high	24 Å²	24	35.9 Å²	35.9	13%	0.128	20%	0.203	C	C	.	.	H	α-helix	trans	-64.3	-40.8	174.7	-173.6	57.4	0	0	0	112.5	L493 N494 L497 W498 S570 N578	L493-D574 WeakPolarHBondContact CA-OD2 3.27Å; L493-D574 WeakPolarHBondContact CD2-OD2 3.44Å; N494-D574 PolarHBondContact N-OD1 2.96Å; N494-D574 PolarHBondContact N-OD2 3.05Å; L497-D574 HydrophobicContact CD1-CB 4.05Å; W498-D574 PolarHBondContact NE1-OD2 2.97Å; S570-D574 WeakPolarHBondContact O-CB 3.3Å; S570-D574 PolarHBondContact O-N 3.42Å; D574-N578 WeakPolarHBondContact O-CB 3.35Å; D574-N578 PolarHBondContact O-ND2 2.88Å; D574-N578 PolarHBondContact OD1-ND2 3.26Å
575	L	96.7	Very high	94	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-51	174.7	179.9	61.6	0	0	0	111.5	W498 R571 F572 A577 N578 I579 P608 V639 V770	W498-L575 HydrophobicContact CH2-CB 4.38Å; W498-L575 HydrophobicContact CZ2-CB 4.17Å; R571-L575 VanDerWaalsContact O-CB 3.31Å; R571-L575 WeakPolarHBondContact O-CB 3.42Å; R571-L575 PolarHBondContact O-N 2.91Å; F572-L575 PolarHBondContact O-N 2.88Å; L575-A577 VanDerWaalsContact C-N 3.27Å; L575-A577 PolarHBondContact O-N 3.06Å; L575-N578 CarbonylContact O-C 3.52Å; L575-N578 PolarHBondContact O-N 3.38Å; L575-I579 WeakPolarHBondContact O-CB 3.32Å; L575-I579 PolarHBondContact O-N 3.07Å; L575-P608 HydrophobicContact CD2-CB 3.81Å; L575-P608 HydrophobicContact CD2-CG 4.17Å; L575-V639 HydrophobicContact CD1-CG2 4.02Å; L575-V770 HydrophobicContact CD2-CB 4.08Å; L575-V770 HydrophobicContact CD2-CG1 3.58Å
576	M	94.8	Very high	94.4	Very high	16 Å²	16	34.7 Å²	34.7	8%	0.079	20%	0.198	C	C	.	.	H	α-helix	trans	-71.6	-19	-174.8	-68.2	-61.3	144.3	0	0	114	F572 I579 R586 P608 E772	F572-M576 HydrophobicContact CD1-CG 4.19Å; F572-M576 HydrophobicContact CD2-CG 4.29Å; F572-M576 HydrophobicContact CE1-CB 4.37Å; F572-M576 HydrophobicContact CE1-CG 3.8Å; F572-M576 HydrophobicContact CE2-CE 4.35Å; F572-M576 HydrophobicContact CE2-CG 3.91Å; F572-M576 HydrophobicContact CG-CG 4.42Å; F572-M576 HydrophobicContact CZ-CG 3.65Å; F572-M576 WeakPolarHBondContact O-CB 3.2Å; F572-M576 VanDerWaalsContact O-CG 3.3Å; F572-M576 WeakPolarHBondContact O-CG 3.42Å; F572-M576 PolarHBondContact O-N 3.1Å; M576-I579 HydrophobicContact SD-CG2 4.32Å; M576-R586 PolarHBondContact O-NH1 3.25Å; M576-P608 HydrophobicContact CE-CB 4.23Å; M576-P608 HydrophobicContact CE-CG 3.97Å; M576-E772 HydrophobicContact CE-CB 4.09Å; M576-E772 HydrophobicContact CE-CG 3.89Å; M576-E772 WeakPolarHBondContact CE-OE2 3.5Å
577	A	95.3	Very high	94.5	Very high	70 Å²	70	32.6 Å²	32.6	58%	0.579	18%	0.181	S	C	*	.	H	α-helix	trans	-74.1	-29.4	168.4	0	0	0	0	0	113.2	D573 L575	D573-A577 WeakPolarHBondContact O-CB 3.42Å; D573-A577 PolarHBondContact O-N 2.99Å; L575-A577 VanDerWaalsContact C-N 3.27Å; L575-A577 PolarHBondContact O-N 3.06Å
578	N	96.6	Very high	94.6	Very high	31 Å²	31	35.5 Å²	35.5	17%	0.166	20%	0.198	C	C	.	.	H	α-helix	trans	-119.7	-6.9	-165.7	-66.7	-56.3	0	0	0	115.1	K492 L493 D574 L575	K492-N578 HydrophobicContact CB-CB 4.01Å; K492-N578 WeakPolarHBondContact CB-OD1 3.35Å; K492-N578 PolarHBondContact O-ND2 3.21Å; L493-N578 HydrophobicContact CD2-CB 3.94Å; D574-N578 WeakPolarHBondContact O-CB 3.35Å; D574-N578 PolarHBondContact O-ND2 2.88Å; D574-N578 PolarHBondContact OD1-ND2 3.26Å; L575-N578 CarbonylContact O-C 3.52Å; L575-N578 PolarHBondContact O-N 3.38Å
579	I	95.9	Very high	94.6	Very high	6 Å²	6	35.6 Å²	35.6	3%	0.031	20%	0.199	C	C	.	.			trans	-62.6	127.5	178.6	-168.7	167.8	0	0	0	110.9	L575 M576 T585 R586 E772	L575-I579 WeakPolarHBondContact O-CB 3.32Å; L575-I579 PolarHBondContact O-N 3.07Å; M576-I579 HydrophobicContact SD-CG2 4.32Å; I579-T585 HydrophobicContact CD1-CG2 4.24Å; I579-T585 HydrophobicContact CG1-CG2 4.25Å; I579-R586 HydrophobicContact CG2-CG 3.81Å; I579-E772 HydrophobicContact CD1-CB 3.66Å; I579-E772 HydrophobicContact CD1-CG 4.3Å
580	P	96.9	Very high	94.5	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.006	19%	0.194	C	C	.	.	S	Bend	trans	-71.2	165.4	-175.2	27.3	-34.4	0	0	0	112.6	P465 V486 V489 T585 V750 F752	P465-P580 HydrophobicContact CB-CB 3.99Å; V486-P580 HydrophobicContact CB-CB 4.27Å; V486-P580 HydrophobicContact CB-CG 4.1Å; V486-P580 HydrophobicContact CG1-CB 3.88Å; V486-P580 HydrophobicContact CG1-CG 4.15Å; V486-P580 HydrophobicContact CG2-CB 4.29Å; V486-P580 HydrophobicContact CG2-CG 4.29Å; V489-P580 HydrophobicContact CG2-CG 3.99Å; P580-T585 VanDerWaalsContact O-CG2 3.3Å; P580-T585 WeakPolarHBondContact O-CG2 3.49Å; P580-T585 PolarHBondContact O-OG1 3.18Å; P580-V750 HydrophobicContact CG-CB 4.02Å; P580-V750 HydrophobicContact CG-CG1 4.1Å; P580-V750 HydrophobicContact CG-CG2 3.81Å; P580-F752 HydrophobicContact CG-CE2 4.06Å; P580-F752 HydrophobicContact CG-CZ 4.1Å
581	L	96.6	Very high	94.4	Very high	3 Å²	3	32.6 Å²	32.6	2%	0.016	17%	0.171	C	C	.	.	S	Bend	trans	49.2	53.9	-174.2	-67	162.8	0	0	0	112	N470 W471 F474 E583 Y584 T585 F752	N470-L581 HydrophobicContact CB-CD2 3.82Å; W471-L581 HydrophobicContact CB-CD2 3.99Å; F474-L581 HydrophobicContact CB-CD1 4.02Å; F474-L581 HydrophobicContact CB-CD2 4.11Å; F474-L581 HydrophobicContact CD1-CD1 3.91Å; F474-L581 HydrophobicContact CD1-CD2 4.3Å; F474-L581 HydrophobicContact CD2-CD1 3.28Å; F474-L581 HydrophobicContact CE1-CD1 4.18Å; F474-L581 HydrophobicContact CE2-CD1 3.6Å; F474-L581 HydrophobicContact CG-CD1 3.46Å; F474-L581 VanDerWaalsContact CG-CD1 3.46Å; F474-L581 HydrophobicContact CG-CD2 4.16Å; F474-L581 HydrophobicContact CG-CG 4.48Å; F474-L581 HydrophobicContact CZ-CD1 4.03Å; L581-E583 PolarHBondContact O-N 3.49Å; L581-Y584 PolarHBondContact O-N 3.04Å; L581-T585 PolarHBondContact O-N 3.26Å; L581-T585 VanDerWaalsContact O-N 3.09Å; L581-T585 PolarHBondContact O-OG1 2.93Å; L581-T585 VanDerWaalsContact O-OG1 3.14Å; L581-F752 HydrophobicContact CB-CE1 4.29Å; L581-F752 HydrophobicContact CB-CZ 4.15Å; L581-F752 HydrophobicContact CD1-CD1 4.46Å; L581-F752 HydrophobicContact CD1-CE1 3.89Å; L581-F752 HydrophobicContact CD1-CE2 4.19Å; L581-F752 HydrophobicContact CD1-CZ 3.75Å; L581-F752 HydrophobicContact CG-CZ 4.38Å
582	P	94.8	Very high	94.3	Very high	57 Å²	57	32.4 Å²	32.4	37%	0.37	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.3	-171.2	25	-36	0	0	0	114.1	Y584 R586 G589	P582-Y584 VanDerWaalsContact C-N 3.33Å; P582-R586 HydrophobicContact CB-CG 4.28Å; P582-G589 WeakPolarHBondContact O-CA 3.24Å
583	E	93.2	Very high	94.2	Very high	44 Å²	44	31.7 Å²	31.7	21%	0.206	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-37.3	171	-60.1	84.2	172.2	0	0	112.4	L581 G589 K590 L591 N592	L581-E583 PolarHBondContact O-N 3.49Å; E583-G589 CarbonylContact O-C 3.52Å; E583-G589 VanDerWaalsContact O-CA 3.25Å; E583-G589 WeakPolarHBondContact O-CA 3.25Å; E583-K590 HydrophobicContact CB-CG 4.08Å; E583-K590 HydrophobicContact CG-CG 4.1Å; E583-K590 PolarHBondContact O-N 3.26Å; E583-K590 VanDerWaalsContact O-N 3.17Å; E583-L591 HydrophobicContact CB-CB 4.45Å; E583-L591 HydrophobicContact CB-CD1 4.08Å; E583-L591 HydrophobicContact CB-CG 4.45Å; E583-L591 CarbonylContact O-C 3.59Å; E583-L591 WeakPolarHBondContact O-CA 3.48Å; E583-L591 WeakPolarHBondContact O-CB 3.25Å; E583-L591 PolarHBondContact O-N 2.79Å; E583-N592 PolarHBondContact O-N 3.02Å
584	Y	95.6	Very high	93.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93	-41.9	-177.6	-77.1	-91.6	0	0	0	112.8	W471 F474 R475 L581 P582 L591 N592 F774 E778	W471-Y584 HydrophobicContact CB-CE2 4.32Å; F474-Y584 HydrophobicContact CD1-CD2 4.22Å; F474-Y584 AromaticContact CD1-CE2 3.94Å; F474-Y584 HydrophobicContact CD1-CE2 3.94Å; F474-Y584 HydrophobicContact CE1-CD1 4.12Å; F474-Y584 AromaticContact CE1-CD2 3.92Å; F474-Y584 HydrophobicContact CE1-CD2 3.92Å; F474-Y584 HydrophobicContact CE1-CE1 4.08Å; F474-Y584 AromaticContact CE1-CE2 3.88Å; F474-Y584 HydrophobicContact CE1-CE2 3.88Å; F474-Y584 HydrophobicContact CE1-CG 4.03Å; F474-Y584 AromaticContact CE1-CZ 3.96Å; R475-Y584 PolarHBondContact NE-OH 2.87Å; R475-Y584 PolarHBondContact NH2-OH 3Å; L581-Y584 PolarHBondContact O-N 3.04Å; P582-Y584 VanDerWaalsContact C-N 3.33Å; Y584-L591 HydrophobicContact CD1-CB 3.92Å; Y584-L591 HydrophobicContact CD2-CB 4.23Å; Y584-L591 HydrophobicContact CD2-CD1 3.99Å; Y584-L591 HydrophobicContact CE1-CB 4Å; Y584-L591 HydrophobicContact CE1-CD1 4.3Å; Y584-L591 HydrophobicContact CE2-CB 4.29Å; Y584-L591 HydrophobicContact CE2-CD1 3.45Å; Y584-L591 VanDerWaalsContact CE2-CD1 3.45Å; Y584-L591 HydrophobicContact CE2-CG 4.5Å; Y584-L591 HydrophobicContact CG-CB 4.04Å; Y584-N592 VanDerWaalsContact O-CB 3.29Å; Y584-N592 WeakPolarHBondContact O-CB 3.46Å; Y584-F774 HydrophobicContact CD1-CE2 4.29Å; Y584-F774 WeakPolarHBondContact O-CB 3.48Å; Y584-F774 WeakPolarHBondContact O-CD2 3.31Å; Y584-F774 WeakPolarHBondContact O-CG 3.32Å; Y584-E778 PolarHBondContact OH-OE1 3.49Å
585	T	95.4	Very high	93.5	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-81.1	-56.3	-168.7	48.6	0	0	0	0	113.5	I579 P580 L581 N592 A637 F752 F774	I579-T585 HydrophobicContact CD1-CG2 4.24Å; I579-T585 HydrophobicContact CG1-CG2 4.25Å; P580-T585 VanDerWaalsContact O-CG2 3.3Å; P580-T585 WeakPolarHBondContact O-CG2 3.49Å; P580-T585 PolarHBondContact O-OG1 3.18Å; L581-T585 PolarHBondContact O-N 3.26Å; L581-T585 VanDerWaalsContact O-N 3.09Å; L581-T585 PolarHBondContact O-OG1 2.93Å; L581-T585 VanDerWaalsContact O-OG1 3.14Å; T585-N592 PolarHBondContact O-ND2 3.09Å; T585-A637 HydrophobicContact CG2-CB 3.84Å; T585-F752 HydrophobicContact CG2-CE1 3.56Å; T585-F752 HydrophobicContact CG2-CZ 3.91Å; T585-F774 HydrophobicContact CG2-CD1 4.33Å; T585-F774 HydrophobicContact CG2-CE1 4.26Å
586	R	92.4	Very high	93	Very high	75 Å²	75	28.5 Å²	28.5	28%	0.283	15%	0.151	S	C	.	.	S	Bend	trans	-58.7	152.5	-169.5	-69.6	165.9	52.2	122.8	-11.1	114.2	M576 I579 P582 D588 G589 N592	M576-R586 PolarHBondContact O-NH1 3.25Å; I579-R586 HydrophobicContact CG2-CG 3.81Å; P582-R586 HydrophobicContact CB-CG 4.28Å; R586-D588 VanDerWaalsContact CB-OD1 3.22Å; R586-D588 WeakPolarHBondContact CB-OD1 3.44Å; R586-D588 IonicContact CZ-OD1 2.72Å; R586-D588 IonicContact CZ-OD2 2.74Å; R586-D588 IonicContact NE-OD1 2.79Å; R586-D588 PolarHBondContact NE-OD1 3.45Å; R586-D588 IonicContact NE-OD2 3.96Å; R586-D588 IonicContact NH2-OD1 3.37Å; R586-D588 PolarHBondContact NH2-OD1 3.43Å; R586-D588 IonicContact NH2-OD2 3.7Å; R586-D588 PolarHBondContact NH2-OD2 3.39Å; R586-D588 PolarHBondContact O-N 3.11Å; R586-D588 VanDerWaalsContact O-N 3.08Å; R586-G589 WeakPolarHBondContact O-CA 3.33Å; R586-G589 PolarHBondContact O-N 3.38Å; R586-N592 PolarHBondContact O-ND2 3.13Å
587	R	87.6	Confident	92.7	Very high	70 Å²	70	27.7 Å²	27.7	26%	0.264	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-14.3	172.6	-59	-172	-179	177.2	2.8	115.3	D563 S595 R603 G607 E772	D563-R587 VanDerWaalsContact CG-NH2 3.31Å; D563-R587 IonicContact OD1-CZ 3.65Å; D563-R587 IonicContact OD1-NH1 2.73Å; D563-R587 IonicContact OD1-NH2 2.77Å; D563-R587 PolarHBondContact OD1-NH2 3.02Å; D563-R587 IonicContact OD2-CZ 2.73Å; D563-R587 IonicContact OD2-NH1 3.47Å; D563-R587 PolarHBondContact OD2-NH1 3.44Å; D563-R587 IonicContact OD2-NH2 3.67Å; D563-R587 PolarHBondContact OD2-NH2 3.25Å; D563-R587 VanDerWaalsContact OD2-NH2 3.13Å; R587-S595 WeakPolarHBondContact O-CB 3.46Å; R587-R603 PolarHBondContact O-NH1 3.02Å; R587-G607 PolarHBondContact NH2-O 2.91Å; R587-E772 VanDerWaalsContact CG-OE1 3.31Å; R587-E772 WeakPolarHBondContact CG-OE1 3.47Å; R587-E772 IonicContact NE-OE1 2.96Å
588	D	88.9	Confident	92.2	Very high	104 Å²	104	25.9 Å²	25.9	56%	0.556	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.2	5.7	172.1	67.8	-16.9	0	0	0	113.4	R586	R586-D588 VanDerWaalsContact CB-OD1 3.22Å; R586-D588 WeakPolarHBondContact CB-OD1 3.44Å; R586-D588 IonicContact CZ-OD1 2.72Å; R586-D588 IonicContact CZ-OD2 2.74Å; R586-D588 IonicContact NE-OD1 2.79Å; R586-D588 PolarHBondContact NE-OD1 3.45Å; R586-D588 IonicContact NE-OD2 3.96Å; R586-D588 IonicContact NH2-OD1 3.37Å; R586-D588 PolarHBondContact NH2-OD1 3.43Å; R586-D588 IonicContact NH2-OD2 3.7Å; R586-D588 PolarHBondContact NH2-OD2 3.39Å; R586-D588 PolarHBondContact O-N 3.11Å; R586-D588 VanDerWaalsContact O-N 3.08Å
589	G	91.4	Very high	91.7	Very high	3 Å²	3	29.9 Å²	29.9	3%	0.031	15%	0.151	C	C	.	.			trans	-60.3	133.7	-176.8	0	0	0	0	0	112.8	P582 E583 R586 L591 N592 S595	P582-G589 WeakPolarHBondContact O-CA 3.24Å; E583-G589 CarbonylContact O-C 3.52Å; E583-G589 VanDerWaalsContact O-CA 3.25Å; E583-G589 WeakPolarHBondContact O-CA 3.25Å; R586-G589 WeakPolarHBondContact O-CA 3.33Å; R586-G589 PolarHBondContact O-N 3.38Å; G589-L591 PolarHBondContact O-N 2.99Å; G589-N592 PolarHBondContact O-N 3.15Å; G589-S595 PolarHBondContact O-OG 3Å
590	K	91.5	Very high	91.1	Very high	69 Å²	69	32.3 Å²	32.3	30%	0.3	16%	0.16	S	C	.	.	S	Bend	trans	-71.5	-10.9	-177.8	70.5	167.1	-175.8	159.3	0	114.4	D122 T125 E583 R596	D122-K590 IonicContact OD1-NZ 2.75Å; D122-K590 WeakPolarHBondContact OD2-CD 3.42Å; D122-K590 IonicContact OD2-NZ 3.19Å; D122-K590 PolarHBondContact OD2-NZ 3.5Å; T125-K590 HydrophobicContact CG2-CB 4.34Å; T125-K590 HydrophobicContact CG2-CD 4.25Å; T125-K590 HydrophobicContact CG2-CG 4.34Å; T125-K590 VanDerWaalsContact CG2-O 3.24Å; T125-K590 WeakPolarHBondContact CG2-O 3.41Å; T125-K590 PolarHBondContact OG1-NZ 2.87Å; T125-K590 VanDerWaalsContact OG1-NZ 3.13Å; E583-K590 HydrophobicContact CB-CG 4.08Å; E583-K590 HydrophobicContact CG-CG 4.1Å; E583-K590 PolarHBondContact O-N 3.26Å; E583-K590 VanDerWaalsContact O-N 3.17Å; K590-R596 VanDerWaalsContact O-CZ 3.25Å; K590-R596 PolarHBondContact O-NH1 2.94Å; K590-R596 PolarHBondContact O-NH2 3.06Å
591	L	93.8	Very high	90.4	Very high	2 Å²	2	33.2 Å²	33.2	1%	0.01	16%	0.164	C	C	.	.	S	Bend	trans	-116.6	-11.3	173.2	-67.5	166	0	0	0	112.4	T125 Y128 E583 Y584 G589 L593 P777	T125-L591 HydrophobicContact CG2-CD2 3.85Å; T125-L591 HydrophobicContact CG2-CG 4.4Å; Y128-L591 HydrophobicContact CD1-CD2 3.86Å; Y128-L591 HydrophobicContact CE1-CD2 4.34Å; E583-L591 HydrophobicContact CB-CB 4.45Å; E583-L591 HydrophobicContact CB-CD1 4.08Å; E583-L591 HydrophobicContact CB-CG 4.45Å; E583-L591 CarbonylContact O-C 3.59Å; E583-L591 WeakPolarHBondContact O-CA 3.48Å; E583-L591 WeakPolarHBondContact O-CB 3.25Å; E583-L591 PolarHBondContact O-N 2.79Å; Y584-L591 HydrophobicContact CD1-CB 3.92Å; Y584-L591 HydrophobicContact CD2-CB 4.23Å; Y584-L591 HydrophobicContact CD2-CD1 3.99Å; Y584-L591 HydrophobicContact CE1-CB 4Å; Y584-L591 HydrophobicContact CE1-CD1 4.3Å; Y584-L591 HydrophobicContact CE2-CB 4.29Å; Y584-L591 HydrophobicContact CE2-CD1 3.45Å; Y584-L591 VanDerWaalsContact CE2-CD1 3.45Å; Y584-L591 HydrophobicContact CE2-CG 4.5Å; Y584-L591 HydrophobicContact CG-CB 4.04Å; G589-L591 PolarHBondContact O-N 2.99Å; L591-L593 PolarHBondContact O-N 3.33Å; L591-P777 HydrophobicContact CD2-CG 4.26Å; L591-P777 WeakPolarHBondContact O-CD 3.39Å
592	N	94.4	Very high	89.6	Confident	1 Å²	1	36 Å²	36	1%	0.005	18%	0.181	C	C	.	.			trans	-61	125.8	156.1	-160.5	-26	0	0	0	108.3	E583 Y584 T585 R586 G589 A594 S595 R596 V775	E583-N592 PolarHBondContact O-N 3.02Å; Y584-N592 VanDerWaalsContact O-CB 3.29Å; Y584-N592 WeakPolarHBondContact O-CB 3.46Å; T585-N592 PolarHBondContact O-ND2 3.09Å; R586-N592 PolarHBondContact O-ND2 3.13Å; G589-N592 PolarHBondContact O-N 3.15Å; N592-A594 WeakPolarHBondContact OD1-CB 3.4Å; N592-A594 PolarHBondContact OD1-N 3.31Å; N592-A594 VanDerWaalsContact OD1-N 3.08Å; N592-S595 PolarHBondContact O-OG 3.02Å; N592-R596 PolarHBondContact O-NH1 3.22Å; N592-V775 PolarHBondContact OD1-N 3.12Å
593	L	93.6	Very high	88.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-82.2	-27.8	176.1	-64.3	-171.9	0	0	0	112.1	I129 I133 L591 S595 R596 V775 P777 V780 V809 A813	I129-L593 HydrophobicContact CD1-CD2 4.22Å; I129-L593 HydrophobicContact CG1-CD2 4.25Å; I129-L593 HydrophobicContact CG2-CD2 4.32Å; I133-L593 HydrophobicContact CD1-CD1 4.23Å; I133-L593 HydrophobicContact CG2-CD1 4.07Å; L591-L593 PolarHBondContact O-N 3.33Å; L593-S595 PolarHBondContact O-N 3.49Å; L593-R596 WeakPolarHBondContact O-CB 3.44Å; L593-R596 PolarHBondContact O-N 3.45Å; L593-R596 VanDerWaalsContact O-N 3.13Å; L593-V775 HydrophobicContact CB-CB 4.32Å; L593-V775 HydrophobicContact CB-CG1 4.19Å; L593-V775 WeakPolarHBondContact CB-O 3.35Å; L593-V775 HydrophobicContact CD1-CG1 4.44Å; L593-V775 WeakPolarHBondContact CG-O 3.19Å; L593-V775 PolarHBondContact N-O 2.85Å; L593-P777 HydrophobicContact CD2-CG 4.03Å; L593-P777 HydrophobicContact CG-CG 4.34Å; L593-V780 HydrophobicContact CD1-CB 3.92Å; L593-V780 HydrophobicContact CD1-CG1 4.09Å; L593-V780 HydrophobicContact CD1-CG2 3.97Å; L593-V809 HydrophobicContact CB-CG1 3.52Å; L593-A813 HydrophobicContact CD2-CB 3.88Å
594	A	90	Very high	87.9	Confident	5 Å²	5	36.8 Å²	36.8	4%	0.041	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-66.1	-27.4	-179.9	0	0	0	0	0	112.6	N592 R596 L597 P604 L606 V775	N592-A594 WeakPolarHBondContact OD1-CB 3.4Å; N592-A594 PolarHBondContact OD1-N 3.31Å; N592-A594 VanDerWaalsContact OD1-N 3.08Å; A594-R596 PolarHBondContact O-N 3.35Å; A594-R596 VanDerWaalsContact O-N 3.11Å; A594-L597 PolarHBondContact O-N 2.69Å; A594-L597 VanDerWaalsContact O-N 3.16Å; A594-P604 HydrophobicContact CB-CG 4.08Å; A594-L606 HydrophobicContact CB-CD1 3.48Å; A594-L606 VanDerWaalsContact CB-CD1 3.48Å; A594-V775 HydrophobicContact CB-CG2 4.49Å
595	S	87.4	Confident	87	Confident	25 Å²	25	41.3 Å²	41.3	18%	0.175	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-58.2	-22.8	173.7	69.4	0	0	0	0	113.5	R587 G589 N592 L593	R587-S595 WeakPolarHBondContact O-CB 3.46Å; G589-S595 PolarHBondContact O-OG 3Å; N592-S595 PolarHBondContact O-OG 3.02Å; L593-S595 PolarHBondContact O-N 3.49Å
596	R	87.7	Confident	86.2	Confident	16 Å²	16	41.9 Å²	41.9	6%	0.06	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-89.6	-6.3	-178.3	-59.5	-171.2	164.6	73.9	-0.1	114.6	T121 I129 K590 N592 L593 A594 P598 H812	T121-R596 PolarHBondContact OG1-NH2 3.01Å; I129-R596 VanDerWaalsContact CD1-NH2 3.27Å; K590-R596 VanDerWaalsContact O-CZ 3.25Å; K590-R596 PolarHBondContact O-NH1 2.94Å; K590-R596 PolarHBondContact O-NH2 3.06Å; N592-R596 PolarHBondContact O-NH1 3.22Å; L593-R596 WeakPolarHBondContact O-CB 3.44Å; L593-R596 PolarHBondContact O-N 3.45Å; L593-R596 VanDerWaalsContact O-N 3.13Å; A594-R596 PolarHBondContact O-N 3.35Å; A594-R596 VanDerWaalsContact O-N 3.11Å; R596-P598 WeakPolarHBondContact O-CD 3.47Å; R596-H812 WeakPolarHBondContact O-CB 3.44Å
597	L	87.1	Confident	85.5	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.192	C	C	.	.	S	Bend	trans	-68.6	116.9	172.1	-172.7	60.8	0	0	0	108.3	A594 F601 V602 N808	A594-L597 PolarHBondContact O-N 2.69Å; A594-L597 VanDerWaalsContact O-N 3.16Å; L597-F601 HydrophobicContact CD1-CB 4.08Å; L597-F601 HydrophobicContact CD1-CD2 3.88Å; L597-F601 HydrophobicContact CD1-CG 4.07Å; L597-F601 HydrophobicContact CD2-CB 4.21Å; L597-F601 HydrophobicContact CG-CB 4.02Å; L597-F601 HydrophobicContact CG-CD2 4.45Å; L597-V602 WeakPolarHBondContact CD2-O 3.38Å; L597-N808 HydrophobicContact CD1-CB 3.68Å
598	P	86.2	Confident	85.5	Confident	31 Å²	31	35.3 Å²	35.3	20%	0.201	18%	0.181	C	C	.	.			trans	-61.1	146.8	-172.9	-25.2	34.6	0	0	0	111.7	L110 R596 Y600 F601 H812	L110-P598 HydrophobicContact CD1-CB 4.26Å; L110-P598 HydrophobicContact CD1-CG 4.36Å; R596-P598 WeakPolarHBondContact O-CD 3.47Å; P598-Y600 PolarHBondContact O-N 2.96Å; P598-F601 HydrophobicContact CB-CD2 4.35Å; P598-F601 HydrophobicContact CG-CD2 4.4Å; P598-F601 HydrophobicContact CG-CE2 4.37Å; P598-F601 PolarHBondContact O-N 3.02Å; P598-H812 VanDerWaalsContact CD-CG 3.45Å
599	N	84.8	Confident	85.6	Confident	115 Å²	115	33.7 Å²	33.7	62%	0.615	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.6	10.9	174.8	-58.3	2.8	0	0	0	114.2	R603	N599-R603 PolarHBondContact OD1-NE 3.06Å; N599-R603 PolarHBondContact OD1-NH2 3.36Å
600	Y	83.6	Confident	85.6	Confident	57 Å²	57	34.1 Å²	34.1	22%	0.224	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-37.5	164	-161.5	-85	0	0	0	111.4	L110 A162 K164 G165 P598	L110-Y600 HydrophobicContact CD1-CG 4.05Å; L110-Y600 HydrophobicContact CD2-CD1 3.61Å; L110-Y600 HydrophobicContact CD2-CE1 4Å; L110-Y600 HydrophobicContact CD2-CG 3.92Å; A162-Y600 HydrophobicContact CB-CE1 4.27Å; A162-Y600 PolarHBondContact O-OH 3.47Å; A162-Y600 VanDerWaalsContact O-OH 3.06Å; K164-Y600 CarbonylContact C-O 3.59Å; K164-Y600 VanDerWaalsContact CA-O 3.26Å; K164-Y600 WeakPolarHBondContact CA-O 3.2Å; K164-Y600 HydrophobicContact CB-CD2 4.25Å; K164-Y600 HydrophobicContact CB-CE1 4.27Å; K164-Y600 HydrophobicContact CB-CE2 3.99Å; K164-Y600 HydrophobicContact CG-CD2 4.47Å; G165-Y600 PolarHBondContact N-O 2.76Å; P598-Y600 PolarHBondContact O-N 2.96Å
601	F	82.9	Confident	85.8	Confident	21 Å²	21	35 Å²	35	9%	0.092	17%	0.172	C	C	.	.	S	Bend	trans	-90.7	160.3	178.4	-57.2	-88.5	0	0	0	110.8	L110 W111 A162 L597 P598 R603 H812	L110-F601 HydrophobicContact CD1-CE2 3.92Å; L110-F601 HydrophobicContact CD2-CE2 3.94Å; L110-F601 HydrophobicContact CD2-CZ 3.74Å; L110-F601 HydrophobicContact CG-CE2 4.08Å; L110-F601 HydrophobicContact CG-CZ 4.22Å; W111-F601 AromaticContact CH2-CE1 3.96Å; W111-F601 HydrophobicContact CH2-CE1 3.96Å; W111-F601 AromaticContact CH2-CZ 3.6Å; W111-F601 HydrophobicContact CH2-CZ 3.6Å; W111-F601 HydrophobicContact CZ2-CE1 4.26Å; W111-F601 AromaticContact CZ2-CZ 3.84Å; W111-F601 HydrophobicContact CZ2-CZ 3.84Å; W111-F601 HydrophobicContact CZ3-CZ 4.18Å; A162-F601 HydrophobicContact CB-CE1 4.47Å; L597-F601 HydrophobicContact CD1-CB 4.08Å; L597-F601 HydrophobicContact CD1-CD2 3.88Å; L597-F601 HydrophobicContact CD1-CG 4.07Å; L597-F601 HydrophobicContact CD2-CB 4.21Å; L597-F601 HydrophobicContact CG-CB 4.02Å; L597-F601 HydrophobicContact CG-CD2 4.45Å; P598-F601 HydrophobicContact CB-CD2 4.35Å; P598-F601 HydrophobicContact CG-CD2 4.4Å; P598-F601 HydrophobicContact CG-CE2 4.37Å; P598-F601 PolarHBondContact O-N 3.02Å; F601-R603 PolarHBondContact O-N 3.47Å; F601-H812 AromaticContact CE2-CE1 3.86Å; F601-H812 AromaticContact CE2-NE2 3.27Å; F601-H812 VanDerWaalsContact CE2-NE2 3.27Å; F601-H812 WeakPolarHBondContact CE2-NE2 3.38Å; F601-H812 AromaticContact CZ-NE2 3.66Å
602	V	79.8	Confident	86	Confident	62 Å²	62	35 Å²	35	38%	0.376	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-62.9	128.5	163.4	-172.2	0	0	0	0	107.4	G165 L597 Q805	G165-V602 VanDerWaalsContact C-CG2 3.49Å; G165-V602 VanDerWaalsContact O-CG2 3.27Å; G165-V602 WeakPolarHBondContact O-CG2 3.37Å; L597-V602 WeakPolarHBondContact CD2-O 3.38Å; V602-Q805 PolarHBondContact O-NE2 3.14Å
603	R	75.9	Confident	86.2	Confident	101 Å²	101	35.1 Å²	35.1	38%	0.381	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-73.7	148.1	171.5	-72.3	-174.4	176.5	-143.4	-2.9	109.6	R587 N599 F601	R587-R603 PolarHBondContact O-NH1 3.02Å; N599-R603 PolarHBondContact OD1-NE 3.06Å; N599-R603 PolarHBondContact OD1-NH2 3.36Å; F601-R603 PolarHBondContact O-N 3.47Å
604	P	76.3	Confident	86.4	Confident	15 Å²	15	35.1 Å²	35.1	10%	0.097	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-60.7	140	167.6	29.3	-35.3	0	0	0	109.4	A594 L606 L804	A594-P604 HydrophobicContact CB-CG 4.08Å; P604-L606 HydrophobicContact CB-CD2 4.48Å; P604-L606 HydrophobicContact CB-CG 4.34Å; P604-L606 HydrophobicContact CG-CD1 4.18Å; P604-L606 HydrophobicContact CG-CG 4.16Å; P604-L606 PolarHBondContact O-N 3.39Å; P604-L804 HydrophobicContact CB-CD2 4.35Å
605	D	76.1	Confident	86.6	Confident	95 Å²	95	35 Å²	35	51%	0.508	17%	0.172	S	C	.	.	P	Polyproline II helix	trans	-68.3	127.2	160.9	170.3	38.7	0	0	0	108.4	G607	D605-G607 PolarHBondContact OD1-N 2.97Å
606	L	79.6	Confident	86.8	Confident	12 Å²	12	33.9 Å²	33.9	6%	0.063	16%	0.164	C	C	.	.			trans	-127.4	17.4	-178.5	-70	178.6	0	0	0	110.9	A594 P604 D773 L804	A594-L606 HydrophobicContact CB-CD1 3.48Å; A594-L606 VanDerWaalsContact CB-CD1 3.48Å; P604-L606 HydrophobicContact CB-CD2 4.48Å; P604-L606 HydrophobicContact CB-CG 4.34Å; P604-L606 HydrophobicContact CG-CD1 4.18Å; P604-L606 HydrophobicContact CG-CG 4.16Å; P604-L606 PolarHBondContact O-N 3.39Å; L606-D773 HydrophobicContact CB-CB 3.88Å; L606-D773 WeakPolarHBondContact CB-O 3.37Å; L606-D773 HydrophobicContact CD2-CB 3.66Å; L606-D773 HydrophobicContact CG-CB 4.34Å; L606-D773 WeakPolarHBondContact O-CB 3.36Å; L606-D773 PolarHBondContact O-N 2.89Å; L606-L804 HydrophobicContact CD2-CD2 3.53Å
607	G	76.9	Confident	86.5	Confident	3 Å²	3	34.2 Å²	34.2	3%	0.031	17%	0.167	C	C	.	.			trans	74.4	-162.6	-168.7	0	0	0	0	0	112.6	R587 D605	R587-G607 PolarHBondContact NH2-O 2.91Å; D605-G607 PolarHBondContact OD1-N 2.97Å
608	P	88.3	Confident	86.5	Confident	5 Å²	5	36.7 Å²	36.7	3%	0.032	18%	0.182	C	C	.	.			cis	-75.3	144.9	21.8	24.6	-31.1	0	0	0	113.5	F564 F572 L575 M576 V770 A771 E772	F564-P608 HydrophobicContact CB-CG 4.05Å; F564-P608 WeakPolarHBondContact CB-O 3.44Å; F564-P608 HydrophobicContact CD1-CG 3.76Å; F564-P608 HydrophobicContact CD2-CG 4.44Å; F564-P608 WeakPolarHBondContact CD2-O 3.33Å; F564-P608 HydrophobicContact CE1-CG 4.28Å; F564-P608 HydrophobicContact CG-CG 3.87Å; F572-P608 HydrophobicContact CD2-CG 3.73Å; F572-P608 HydrophobicContact CE2-CG 4.09Å; L575-P608 HydrophobicContact CD2-CB 3.81Å; L575-P608 HydrophobicContact CD2-CG 4.17Å; M576-P608 HydrophobicContact CE-CB 4.23Å; M576-P608 HydrophobicContact CE-CG 3.97Å; P608-V770 HydrophobicContact CB-CG1 3.75Å; P608-A771 CarbonylContact C-O 3.54Å; P608-A771 WeakPolarHBondContact CA-O 3.31Å; P608-E772 WeakPolarHBondContact CA-OE2 3.3Å; P608-E772 WeakPolarHBondContact CD-OE2 3.36Å; P608-E772 VanDerWaalsContact N-OE2 3.09Å
609	K	89.7	Confident	86.6	Confident	69 Å²	69	38.5 Å²	38.5	30%	0.3	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.5	179.5	-67	166.2	-169.1	144.7	0	110.2	Y611 V770 A771 D773	K609-Y611 HydrophobicContact CB-CE2 3.92Å; K609-Y611 WeakPolarHBondContact O-CE2 3.29Å; K609-V770 CarbonylContact O-C 3.56Å; K609-V770 VanDerWaalsContact O-CA 3.32Å; K609-V770 WeakPolarHBondContact O-CA 3.45Å; K609-V770 WeakPolarHBondContact O-CG1 3.31Å; K609-A771 PolarHBondContact N-O 3.23Å; K609-A771 PolarHBondContact O-N 3.27Å; K609-D773 IonicContact NZ-OD2 3.85Å; K609-D773 PolarHBondContact NZ-OD2 2.75Å
610	M	92.8	Very high	86.8	Confident	13 Å²	13	38.5 Å²	38.5	6%	0.064	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.9	-175.3	-150.8	155.4	69.9	0	0	112.5	W498 F503 W558 F564 M568 I768 K769 V770	W498-M610 HydrophobicContact CZ3-SD 4.29Å; F503-M610 HydrophobicContact CD1-CE 4.26Å; F503-M610 HydrophobicContact CE1-CE 3.76Å; F503-M610 HydrophobicContact CE1-SD 4.29Å; F503-M610 HydrophobicContact CZ-CE 3.98Å; F503-M610 HydrophobicContact CZ-SD 4.07Å; W558-M610 HydrophobicContact CE3-CE 3.72Å; W558-M610 HydrophobicContact CH2-CE 4.28Å; W558-M610 HydrophobicContact CZ3-CE 3.28Å; F564-M610 HydrophobicContact CE2-CB 4.13Å; F564-M610 HydrophobicContact CE2-SD 3.91Å; F564-M610 HydrophobicContact CZ-SD 4.35Å; M568-M610 HydrophobicContact CE-CE 3.87Å; M568-M610 HydrophobicContact CE-SD 4.33Å; M610-I768 HydrophobicContact CG-CG2 4.39Å; M610-I768 HydrophobicContact SD-CG2 4.18Å; M610-K769 WeakPolarHBondContact CA-O 3.43Å; M610-K769 WeakPolarHBondContact CG-O 2.96Å; M610-V770 HydrophobicContact CG-CG2 4.09Å; M610-V770 HydrophobicContact SD-CG2 4.12Å
611	Y	95.1	Very high	87.2	Confident	86 Å²	86	36 Å²	36	34%	0.337	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	101.3	-174.5	-57.4	-96.4	0	0	0	108.6	K609 K769 A771	K609-Y611 HydrophobicContact CB-CE2 3.92Å; K609-Y611 WeakPolarHBondContact O-CE2 3.29Å; Y611-K769 PolarHBondContact N-O 3.26Å; Y611-K769 PolarHBondContact O-N 2.81Å; Y611-A771 HydrophobicContact CE2-CB 3.87Å
612	N	97.8	Very high	87.7	Confident	3 Å²	3	37.9 Å²	37.9	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119	-172	-47.8	-72.8	0	0	0	109.1	F531 W532 K554 L555 I768	F531-N612 HydrophobicContact CE1-CB 3.82Å; F531-N612 HydrophobicContact CZ-CB 4.01Å; W532-N612 HydrophobicContact CH2-CB 3.88Å; W532-N612 WeakPolarHBondContact CH2-OD1 3.39Å; W532-N612 HydrophobicContact CZ2-CB 4.24Å; K554-N612 WeakPolarHBondContact CA-O 3.43Å; L555-N612 HydrophobicContact CB-CB 3.99Å; L555-N612 HydrophobicContact CD2-CB 4.13Å; L555-N612 PolarHBondContact N-O 3.23Å; N612-I768 WeakPolarHBondContact OD1-CG2 3.45Å
613	A	98.1	Very high	88.3	Confident	3 Å²	3	40 Å²	40	3%	0.025	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	154.4	-178.4	0	0	0	0	0	112.8	L553 K554 T626 N763 S766 C767	L553-A613 WeakPolarHBondContact O-CA 3.49Å; K554-A613 HydrophobicContact CB-CB 3.56Å; A613-T626 HydrophobicContact CB-CG2 3.39Å; A613-N763 WeakPolarHBondContact CB-ND2 3.29Å; A613-N763 PolarHBondContact O-ND2 3.39Å; A613-S766 CarbonylContact O-C 3.32Å; A613-S766 WeakPolarHBondContact O-CA 3.45Å; A613-C767 PolarHBondContact N-O 3.02Å; A613-C767 PolarHBondContact O-N 3.26Å
614	Y	97.5	Very high	89.2	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.186	C	C	.	.			trans	-71.8	167.5	174.5	-57.7	-12.5	0	0	0	111.9	F531 F535 R541 M551 L553 N763	F531-Y614 HydrophobicContact CD2-CD1 4.48Å; F531-Y614 AromaticContact CD2-CE1 3.67Å; F531-Y614 HydrophobicContact CD2-CE1 3.67Å; F531-Y614 AromaticContact CD2-CZ 3.93Å; F531-Y614 HydrophobicContact CE1-CE1 4.48Å; F531-Y614 AromaticContact CE2-CD1 3.77Å; F531-Y614 HydrophobicContact CE2-CD1 3.77Å; F531-Y614 AromaticContact CE2-CE1 3.39Å; F531-Y614 HydrophobicContact CE2-CE1 3.39Å; F531-Y614 HydrophobicContact CG-CE1 4.33Å; F531-Y614 HydrophobicContact CZ-CD1 4.03Å; F531-Y614 AromaticContact CZ-CE1 3.83Å; F531-Y614 HydrophobicContact CZ-CE1 3.83Å; F531-Y614 WeakPolarHBondContact O-CE1 3.48Å; F531-Y614 PolarHBondContact O-OH 2.93Å; F535-Y614 HydrophobicContact CB-CE1 4.38Å; F535-Y614 AromaticContact CD2-CD1 3.94Å; F535-Y614 HydrophobicContact CD2-CD1 3.94Å; F535-Y614 HydrophobicContact CD2-CE1 4.04Å; R541-Y614 HydrophobicContact CB-CE2 4.17Å; R541-Y614 HydrophobicContact CG-CD2 4.21Å; R541-Y614 HydrophobicContact CG-CE2 3.57Å; M551-Y614 WeakPolarHBondContact O-CD2 3.34Å; L553-Y614 HydrophobicContact CB-CD2 4.04Å; L553-Y614 HydrophobicContact CB-CE2 3.75Å; L553-Y614 HydrophobicContact CD1-CE2 3.95Å; L553-Y614 HydrophobicContact CG-CD2 4.34Å; L553-Y614 HydrophobicContact CG-CE2 3.82Å; L553-Y614 VanDerWaalsContact N-CD2 3.34Å; L553-Y614 PolarHBondContact O-N 3.48Å; Y614-N763 VanDerWaalsContact O-CB 3.29Å; Y614-N763 WeakPolarHBondContact O-CB 3.26Å; Y614-N763 PolarHBondContact O-ND2 2.96Å
615	G	95.6	Very high	90.1	Very high	2 Å²	2	37.8 Å²	37.8	2%	0.021	18%	0.183	C	C	.	.			trans	-73.4	143.4	169	0	0	0	0	0	113.5	V552	V552-G615 WeakPolarHBondContact CG1-O 3.5Å
616	L	91.5	Very high	91	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.01	16%	0.16	C	C	.	.			trans	-97	105	167.1	-80.3	167.6	0	0	0	106.9	C517 V552 D621 Y624 H762 N763	C517-L616 HydrophobicContact CB-CD2 4.41Å; V552-L616 HydrophobicContact CB-CD2 4.22Å; V552-L616 HydrophobicContact CG1-CD2 3.73Å; V552-L616 HydrophobicContact CG1-CG 3.95Å; V552-L616 HydrophobicContact CG2-CD2 4.37Å; L616-D621 HydrophobicContact CB-CB 3.98Å; L616-D621 HydrophobicContact CD2-CB 3.84Å; L616-Y624 WeakPolarHBondContact CD1-O 3.32Å; L616-Y624 HydrophobicContact CD2-CD2 4.49Å; L616-H762 VanDerWaalsContact CB-CE1 3.44Å; L616-H762 WeakPolarHBondContact CB-CE1 3.29Å; L616-H762 PolarHBondContact O-NE2 3.29Å; L616-N763 PolarHBondContact N-O 3.29Å
617	I	81.4	Confident	91.7	Very high	24 Å²	24	34.4 Å²	34.4	12%	0.123	17%	0.166	C	C	.	.			trans	-121.6	-21.5	-162.5	-56.8	-177.7	0	0	0	113.3	D621 P646 Q652 E655 L764 Y765	I617-D621 PolarHBondContact N-OD2 3.49Å; I617-P646 HydrophobicContact CD1-CG 4.3Å; I617-Q652 HydrophobicContact CG2-CB 4.26Å; I617-Q652 HydrophobicContact CG2-CG 3.93Å; I617-E655 WeakPolarHBondContact O-CG 3.25Å; I617-L764 WeakPolarHBondContact CG1-O 3.16Å; I617-Y765 HydrophobicContact CD1-CD1 4.01Å; I617-Y765 HydrophobicContact CD1-CE1 4.31Å
618	T	87.4	Confident	92.6	Very high	51 Å²	51	35.2 Å²	35.2	31%	0.313	17%	0.169	S	C	.	.	S	Bend	trans	-79.2	158.5	-178.4	85.8	0	0	0	0	112	E620 D621	T618-E620 WeakPolarHBondContact CB-OE2 3.43Å; T618-E620 PolarHBondContact O-N 3.2Å; T618-E620 VanDerWaalsContact O-N 3.14Å; T618-E620 PolarHBondContact OG1-N 3.44Å; T618-E620 PolarHBondContact OG1-OE2 3.33Å; T618-D621 PolarHBondContact N-OD2 3.46Å; T618-D621 WeakPolarHBondContact O-CA 3.43Å; T618-D621 WeakPolarHBondContact O-CB 3.36Å; T618-D621 PolarHBondContact O-N 2.83Å; T618-D621 PolarHBondContact OG1-N 3Å
619	P	87.8	Confident	93	Very high	70 Å²	70	35 Å²	35	46%	0.455	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.9	174.9	-26.5	35.7	0	0	0	113.6	D621 E655	P619-D621 VanDerWaalsContact C-N 3.35Å; P619-E655 WeakPolarHBondContact CA-OE1 3.48Å
620	E	89.5	Confident	93.3	Very high	115 Å²	115	32.5 Å²	32.5	54%	0.537	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-24.2	176.3	-53.7	68.9	-146.6	0	0	112.6	T618 K623	T618-E620 WeakPolarHBondContact CB-OE2 3.43Å; T618-E620 PolarHBondContact O-N 3.2Å; T618-E620 VanDerWaalsContact O-N 3.14Å; T618-E620 PolarHBondContact OG1-N 3.44Å; T618-E620 PolarHBondContact OG1-OE2 3.33Å; E620-K623 VanDerWaalsContact O-CE 3.28Å; E620-K623 WeakPolarHBondContact O-CE 3.32Å; E620-K623 WeakPolarHBondContact O-CG 3.48Å
621	D	92.2	Very high	93.3	Very high	3 Å²	3	32 Å²	32	2%	0.016	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-76.7	-20.6	179.3	-76.8	-29.1	0	0	0	113	R518 L616 I617 T618 P619 K623 Y624 H762	R518-D621 IonicContact CZ-OD1 3.61Å; R518-D621 IonicContact CZ-OD2 2.72Å; R518-D621 IonicContact NE-OD1 3.38Å; R518-D621 PolarHBondContact NE-OD1 2.9Å; R518-D621 IonicContact NE-OD2 3.71Å; R518-D621 IonicContact NH2-OD1 2.73Å; R518-D621 PolarHBondContact NH2-OD1 3.03Å; R518-D621 IonicContact NH2-OD2 3.49Å; R518-D621 PolarHBondContact NH2-OD2 3.09Å; L616-D621 HydrophobicContact CB-CB 3.98Å; L616-D621 HydrophobicContact CD2-CB 3.84Å; I617-D621 PolarHBondContact N-OD2 3.49Å; T618-D621 PolarHBondContact N-OD2 3.46Å; T618-D621 WeakPolarHBondContact O-CA 3.43Å; T618-D621 WeakPolarHBondContact O-CB 3.36Å; T618-D621 PolarHBondContact O-N 2.83Å; T618-D621 PolarHBondContact OG1-N 3Å; P619-D621 VanDerWaalsContact C-N 3.35Å; D621-K623 PolarHBondContact O-N 3.38Å; D621-Y624 PolarHBondContact O-N 3.31Å; D621-H762 PolarHBondContact O-CE1 3.2Å
622	R	92.7	Very high	93	Very high	62 Å²	62	29.7 Å²	29.7	23%	0.234	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-56.8	-17.1	-178.1	-60.1	-169.6	-158.9	149.4	13.6	114.7	E655 T659 D662	R622-E655 IonicContact CZ-OE1 3.39Å; R622-E655 IonicContact CZ-OE2 2.72Å; R622-E655 IonicContact NE-OE1 3.14Å; R622-E655 PolarHBondContact NE-OE1 2.98Å; R622-E655 IonicContact NH2-OE1 3.97Å; R622-E655 PolarHBondContact NH2-OE1 3.37Å; R622-E655 IonicContact NH2-OE2 2.66Å; R622-E655 PolarHBondContact NH2-OE2 3.24Å; R622-T659 HydrophobicContact CG-CG2 4.28Å; R622-T659 PolarHBondContact NE-OG1 3.18Å; R622-D662 IonicContact CZ-OD2 3.82Å; R622-D662 IonicContact NH1-OD2 3.9Å; R622-D662 PolarHBondContact NH1-OD2 3.45Å
623	K	92.3	Very high	92.5	Very high	105 Å²	105	30.7 Å²	30.7	46%	0.457	15%	0.154	S	C	.	.	G	3₁₀ helix	trans	-93	-4.8	178	75.6	-165.3	177.2	-176.5	0	114.4	E620 D621 Y723 D725	E620-K623 VanDerWaalsContact O-CE 3.28Å; E620-K623 WeakPolarHBondContact O-CE 3.32Å; E620-K623 WeakPolarHBondContact O-CG 3.48Å; D621-K623 PolarHBondContact O-N 3.38Å; K623-Y723 VanDerWaalsContact O-CD1 3.24Å; K623-Y723 WeakPolarHBondContact O-CD1 3.21Å; K623-D725 HydrophobicContact CB-CB 4.35Å
624	Y	94.3	Very high	92.2	Very high	69 Å²	69	31 Å²	31	27%	0.271	16%	0.157	S	C	.	.			trans	-103	149.4	178.7	-55.9	-52.9	0	0	0	111.5	R518 L616 D621 H762	R518-Y624 HydrophobicContact CB-CD2 4.34Å; R518-Y624 HydrophobicContact CB-CE2 4.05Å; R518-Y624 HydrophobicContact CG-CD2 3.95Å; R518-Y624 HydrophobicContact CG-CE2 3.88Å; L616-Y624 WeakPolarHBondContact CD1-O 3.32Å; L616-Y624 HydrophobicContact CD2-CD2 4.49Å; D621-Y624 PolarHBondContact O-N 3.31Å; Y624-H762 PolarHBondContact O-ND1 3.18Å
625	G	94.8	Very high	92.1	Very high	2 Å²	2	31 Å²	31	2%	0.021	16%	0.157	C	C	.	.			trans	-96.4	144.8	167.9	0	0	0	0	0	111.3	Y723	G625-Y723 VanDerWaalsContact CA-CD2 3.42Å
626	T	95.4	Very high	92.1	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.031	16%	0.158	C	C	.	.	S	Bend	trans	-70.3	-44.1	159	-51.3	0	0	0	0	109.2	K554 A613 V761 N763	K554-T626 WeakPolarHBondContact CD-O 3.47Å; K554-T626 PolarHBondContact NZ-O 2.93Å; A613-T626 HydrophobicContact CB-CG2 3.39Å; T626-V761 PolarHBondContact N-O 3.47Å; T626-N763 WeakPolarHBondContact OG1-CB 3.31Å; T626-N763 PolarHBondContact OG1-N 2.88Å
627	T	95.1	Very high	92.4	Very high	31 Å²	31	31.1 Å²	31.1	19%	0.19	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	124	166.5	-50.1	0	0	0	0	107.8	H630 V761	T627-H630 VanDerWaalsContact CG2-CE1 3.4Å; T627-H630 WeakPolarHBondContact CG2-CE1 3.35Å; T627-V761 PolarHBondContact N-O 3.24Å; T627-V761 PolarHBondContact O-N 3.18Å
628	N	96	Very high	93.2	Very high	20 Å²	20	30.4 Å²	30.4	11%	0.107	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	173.6	179	-81.3	-4.3	0	0	0	111.9	H630 Q720 W722	N628-H630 PolarHBondContact O-N 2.9Å; N628-H630 PolarHBondContact O-ND1 3.2Å; N628-Q720 WeakPolarHBondContact CB-O 3.34Å; N628-Q720 PolarHBondContact ND2-O 2.88Å; N628-W722 VanDerWaalsContact CB-O 3.31Å; N628-W722 WeakPolarHBondContact CB-O 3.4Å
629	L	97.4	Very high	93.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	119.5	175.7	-171.6	78.3	0	0	0	110.4	Y687 I695 L699 I717 W722 L724 P758 H759 Q760	L629-Y687 HydrophobicContact CD1-CD2 4.06Å; L629-Y687 HydrophobicContact CD1-CE2 3.99Å; L629-I695 HydrophobicContact CD2-CG2 3.72Å; L629-L699 HydrophobicContact CD2-CD1 3.77Å; L629-I717 HydrophobicContact CD2-CG1 4.37Å; L629-W722 WeakPolarHBondContact CB-O 3.42Å; L629-W722 PolarHBondContact N-O 3.27Å; L629-L724 HydrophobicContact CD1-CD1 4.22Å; L629-L724 HydrophobicContact CD2-CD1 3.99Å; L629-L724 HydrophobicContact CD2-CG 4.27Å; L629-P758 HydrophobicContact CD1-CB 4.12Å; L629-H759 WeakPolarHBondContact CA-O 3.42Å; L629-Q760 HydrophobicContact CB-CB 4.36Å; L629-Q760 HydrophobicContact CD1-CB 4.35Å
630	H	94.3	Very high	94.3	Very high	16 Å²	16	24.7 Å²	24.7	7%	0.074	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	178.6	177.3	68.6	-58.2	0	0	0	109.9	T627 N628 D632 Q720 P758 H759	T627-H630 VanDerWaalsContact CG2-CE1 3.4Å; T627-H630 WeakPolarHBondContact CG2-CE1 3.35Å; N628-H630 PolarHBondContact O-N 2.9Å; N628-H630 PolarHBondContact O-ND1 3.2Å; H630-D632 IonicContact NE2-OD2 3.28Å; H630-Q720 HydrophobicContact CB-CB 4.48Å; H630-Q720 HydrophobicContact CB-CG 3.79Å; H630-P758 CarbonylContact O-C 3.15Å; H630-P758 VanDerWaalsContact O-CA 3.27Å; H630-P758 WeakPolarHBondContact O-CA 3.35Å; H630-H759 AromaticContact CE1-CD2 3.81Å; H630-H759 AromaticContact CE1-CE1 3.59Å; H630-H759 AromaticContact CE1-NE2 3.23Å; H630-H759 PolarHBondContact CE1-NE2 2.89Å; H630-H759 PolarHBondContact N-O 3.38Å; H630-H759 PolarHBondContact ND1-O 3.32Å; H630-H759 AromaticContact NE2-CE1 3.68Å; H630-H759 AromaticContact NE2-NE2 3.59Å; H630-H759 PolarHBondContact O-N 3.49Å
631	L	92.6	Very high	94.7	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.016	10%	0.095	C	C	.	.			trans	-141.1	154.1	171.7	62.6	79.7	0	0	0	111.3	T692 I717 P758 L786 F790	L631-T692 HydrophobicContact CD2-CG2 3.56Å; L631-I717 HydrophobicContact CD2-CG2 3.98Å; L631-I717 HydrophobicContact CG-CG2 4.09Å; L631-P758 HydrophobicContact CD2-CG 4.34Å; L631-L786 HydrophobicContact CD1-CD2 3.72Å; L631-F790 HydrophobicContact CD1-CE2 3.85Å; L631-F790 HydrophobicContact CD1-CZ 3.97Å
632	D	88.9	Confident	95	Very high	38 Å²	38	21.1 Å²	21.1	20%	0.203	10%	0.1	C	C	.	.			trans	-109.2	154	-179.6	-70	-59.7	0	0	0	113.1	H630 G756 H759 L786	H630-D632 IonicContact NE2-OD2 3.28Å; D632-G756 PolarHBondContact O-N 2.81Å; D632-H759 IonicContact OD2-CE1 3.32Å; D632-H759 PolarHBondContact OD2-CE1 3.02Å; D632-L786 WeakPolarHBondContact O-CD1 3.38Å
633	V	87.5	Confident	95.3	Very high	23 Å²	23	18.2 Å²	18.2	14%	0.139	9%	0.09	C	C	.	.	S	Bend	trans	-78.2	-25.3	-179	-155.3	0	0	0	0	112	C783 L786 T787 F790 L804	V633-C783 VanDerWaalsContact O-CA 3.28Å; V633-C783 WeakPolarHBondContact O-CA 3.47Å; V633-C783 VanDerWaalsContact O-CB 3.28Å; V633-C783 WeakPolarHBondContact O-CB 3.46Å; V633-C783 PolarHBondContact O-SG 2.99Å; V633-L786 HydrophobicContact CG1-CB 3.81Å; V633-T787 VanDerWaalsContact CG1-OG1 3.24Å; V633-T787 WeakPolarHBondContact CG1-OG1 3.39Å; V633-F790 HydrophobicContact CG2-CD2 3.9Å; V633-F790 HydrophobicContact CG2-CE2 3.69Å; V633-F790 HydrophobicContact CG2-CZ 4.23Å; V633-L804 HydrophobicContact CB-CD1 3.79Å; V633-L804 HydrophobicContact CG1-CD1 3.74Å
634	S	91.3	Very high	95.4	Very high	10 Å²	10	13.2 Å²	13.2	7%	0.07	7%	0.068	C	C	.	.	S	Bend	trans	-106	165.9	-179.6	33.5	0	0	0	0	111.6	A755 F774	S634-A755 VanDerWaalsContact C-CB 3.49Å; S634-A755 VanDerWaalsContact O-CA 3.28Å; S634-A755 WeakPolarHBondContact O-CA 3.31Å; S634-A755 WeakPolarHBondContact O-CB 3.23Å; S634-F774 WeakPolarHBondContact CB-O 3.16Å
635	D	95.9	Very high	95.3	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	151.3	161	-62.9	-58.1	0	0	0	108.9	W478 A755 D773 F774 S776 H779	W478-D635 HydrophobicContact CZ2-CB 3.87Å; W478-D635 WeakPolarHBondContact CZ2-OD1 3.49Å; D635-A755 PolarHBondContact OD1-N 2.85Å; D635-D773 CarbonylContact O-C 3.55Å; D635-D773 WeakPolarHBondContact O-CA 3.39Å; D635-F774 HydrophobicContact CB-CD1 4.04Å; D635-F774 HydrophobicContact CB-CD2 3.72Å; D635-F774 HydrophobicContact CB-CE1 3.84Å; D635-F774 HydrophobicContact CB-CE2 3.51Å; D635-F774 HydrophobicContact CB-CG 3.97Å; D635-F774 HydrophobicContact CB-CZ 3.57Å; D635-F774 WeakPolarHBondContact CB-O 3.18Å; D635-F774 PolarHBondContact N-O 3.39Å; D635-F774 PolarHBondContact O-N 3.07Å; D635-S776 WeakPolarHBondContact OD2-CB 3.33Å; D635-S776 PolarHBondContact OD2-N 3.12Å; D635-S776 PolarHBondContact OD2-OG 3.5Å; D635-H779 WeakPolarHBondContact OD1-CB 3.42Å; D635-H779 IonicContact OD1-CE1 3.23Å; D635-H779 IonicContact OD1-CG 2.78Å; D635-H779 IonicContact OD1-ND1 2.64Å; D635-H779 PolarHBondContact OD1-ND1 3.47Å; D635-H779 IonicContact OD2-ND1 2.71Å
636	A	96.3	Very high	94.9	Very high	6 Å²	6	13 Å²	13	5%	0.05	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	149.1	179	0	0	0	0	0	113	F752 I753	A636-F752 CarbonylContact O-C 3.48Å; A636-F752 WeakPolarHBondContact O-CA 3.49Å; A636-I753 HydrophobicContact CB-CD1 4.32Å; A636-I753 PolarHBondContact N-O 2.75Å; A636-I753 PolarHBondContact O-N 2.71Å
637	A	97.9	Very high	94.2	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	101.3	172.7	0	0	0	0	0	110.3	T585 V750 F752 A771 E772 F774	T585-A637 HydrophobicContact CG2-CB 3.84Å; A637-V750 HydrophobicContact CB-CG1 4.2Å; A637-F752 HydrophobicContact CB-CD1 4.02Å; A637-F752 HydrophobicContact CB-CE1 3.76Å; A637-F752 HydrophobicContact CB-CE2 4.44Å; A637-F752 HydrophobicContact CB-CG 4.48Å; A637-F752 HydrophobicContact CB-CZ 3.97Å; A637-A771 WeakPolarHBondContact O-CA 3.49Å; A637-E772 PolarHBondContact N-O 3.37Å; A637-E772 PolarHBondContact O-N 3.02Å; A637-F774 HydrophobicContact CB-CE1 4.14Å
638	N	98.5	Very high	92.8	Very high	9 Å²	9	21.6 Å²	21.6	5%	0.048	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116.2	-176.5	-173.2	-75.9	0	0	0	111.6	W684 Q745 V750 V751 I753 K769 A771	N638-W684 HydrophobicContact CB-CH2 3.9Å; N638-W684 HydrophobicContact CB-CZ2 4.15Å; N638-Q745 PolarHBondContact O-NE2 3.12Å; N638-Q745 VanDerWaalsContact O-NE2 3.07Å; N638-Q745 PolarHBondContact OD1-NE2 3.48Å; N638-V750 CarbonylContact O-C 3.58Å; N638-V750 VanDerWaalsContact O-CA 3.25Å; N638-V750 WeakPolarHBondContact O-CA 3.45Å; N638-V751 PolarHBondContact N-O 3.09Å; N638-V751 PolarHBondContact O-N 2.89Å; N638-I753 HydrophobicContact CB-CD1 4.06Å; N638-K769 WeakPolarHBondContact OD1-CD 3.32Å; N638-A771 HydrophobicContact CB-CB 4.36Å
639	V	98.4	Very high	91.3	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.006	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	123.4	-178.8	-173.1	0	0	0	0	110.5	V489 L493 L575 V641 V750 K769 V770	V489-V639 HydrophobicContact CG1-CG1 4.3Å; L493-V639 HydrophobicContact CD1-CG1 4.39Å; L575-V639 HydrophobicContact CD1-CG2 4.02Å; V639-V641 HydrophobicContact CB-CG1 4.26Å; V639-V641 HydrophobicContact CG1-CG1 3.74Å; V639-V641 PolarHBondContact O-N 2.92Å; V639-V750 HydrophobicContact CB-CG2 4.22Å; V639-V750 HydrophobicContact CG1-CG2 4.05Å; V639-V750 HydrophobicContact CG2-CB 4.5Å; V639-V750 HydrophobicContact CG2-CG1 3.99Å; V639-V750 HydrophobicContact CG2-CG2 3.8Å; V639-K769 CarbonylContact O-C 3.55Å; V639-K769 VanDerWaalsContact O-CA 3.24Å; V639-K769 WeakPolarHBondContact O-CA 3.36Å; V639-V770 PolarHBondContact N-O 2.88Å; V639-V770 PolarHBondContact O-N 2.86Å
640	M	98.7	Very high	89.3	Confident	0 Å²	0	31 Å²	31	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	100.4	168	-177.3	69.4	66.6	0	0	110	V643 A682 Q745 F746 G748 D749 C767 K769	M640-V643 HydrophobicContact CG-CG2 3.66Å; M640-V643 HydrophobicContact SD-CG2 3.66Å; M640-A682 HydrophobicContact CE-CB 4.16Å; M640-Q745 HydrophobicContact CB-CG 3.93Å; M640-Q745 HydrophobicContact CE-CB 4.3Å; M640-Q745 HydrophobicContact CE-CG 3.99Å; M640-F746 WeakPolarHBondContact CB-O 3.44Å; M640-F746 WeakPolarHBondContact CG-O 3.42Å; M640-G748 VanDerWaalsContact O-CA 3.3Å; M640-G748 WeakPolarHBondContact O-CA 3.46Å; M640-G748 PolarHBondContact O-N 2.83Å; M640-D749 PolarHBondContact N-O 3.38Å; M640-C767 HydrophobicContact CE-CB 4.31Å; M640-C767 HydrophobicContact SD-CB 3.95Å; M640-K769 HydrophobicContact CE-CD 3.94Å; M640-K769 HydrophobicContact CE-CG 4.02Å; M640-K769 HydrophobicContact SD-CG 4Å
641	V	98.4	Very high	87.8	Confident	10 Å²	10	38.4 Å²	38.4	6%	0.061	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-26	-176.1	-60	0	0	0	0	113.3	L493 W498 V639 L747 I768 V770	L493-V641 HydrophobicContact CD1-CB 4.35Å; L493-V641 HydrophobicContact CD1-CG1 3.78Å; W498-V641 HydrophobicContact CB-CB 4.26Å; W498-V641 HydrophobicContact CB-CG2 4.34Å; W498-V641 HydrophobicContact CD2-CB 4Å; W498-V641 HydrophobicContact CD2-CG1 4.25Å; W498-V641 HydrophobicContact CD2-CG2 4.07Å; W498-V641 HydrophobicContact CE3-CB 4.06Å; W498-V641 HydrophobicContact CE3-CG1 4.27Å; W498-V641 HydrophobicContact CE3-CG2 3.63Å; W498-V641 HydrophobicContact CG-CB 4.1Å; W498-V641 HydrophobicContact CG-CG2 4.39Å; W498-V641 HydrophobicContact CZ3-CG2 4.25Å; V639-V641 HydrophobicContact CB-CG1 4.26Å; V639-V641 HydrophobicContact CG1-CG1 3.74Å; V639-V641 PolarHBondContact O-N 2.92Å; V641-L747 WeakPolarHBondContact O-CD1 3.36Å; V641-I768 HydrophobicContact CG2-CB 3.85Å; V641-I768 HydrophobicContact CG2-CG2 3.42Å; V641-I768 VanDerWaalsContact CG2-CG2 3.42Å; V641-I768 WeakPolarHBondContact CG2-O 3.43Å; V641-I768 PolarHBondContact N-O 3.22Å; V641-V770 HydrophobicContact CG1-CG2 3.93Å; V641-V770 HydrophobicContact CG2-CG2 4Å
642	Y	98.6	Very high	87.1	Confident	34 Å²	34	38.9 Å²	38.9	13%	0.133	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	142.1	176.4	-167	-87.5	0	0	0	112.7	W498 K499 P500 F535 E536 I768	W498-Y642 WeakPolarHBondContact O-CB 3.49Å; K499-Y642 HydrophobicContact CG-CE2 3.99Å; P500-Y642 VanDerWaalsContact CD-CZ 3.43Å; P500-Y642 HydrophobicContact CG-CD1 4.03Å; P500-Y642 HydrophobicContact CG-CE1 3.62Å; F535-Y642 HydrophobicContact CE1-CD1 4.1Å; F535-Y642 HydrophobicContact CE1-CE1 4.24Å; E536-Y642 PolarHBondContact OE1-OH 3.18Å; Y642-I768 HydrophobicContact CD1-CD1 4.33Å; Y642-I768 HydrophobicContact CD1-CG1 4.47Å; Y642-I768 HydrophobicContact CG-CD1 4.24Å; Y642-I768 PolarHBondContact N-O 2.77Å; Y642-I768 PolarHBondContact O-N 3.35Å
643	V	98.3	Very high	87	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	108	173.1	-178.6	0	0	0	0	109	M640 K679 P680 L747 Y765	M640-V643 HydrophobicContact CG-CG2 3.66Å; M640-V643 HydrophobicContact SD-CG2 3.66Å; V643-K679 HydrophobicContact CB-CB 4.24Å; V643-K679 HydrophobicContact CB-CD 4.36Å; V643-K679 HydrophobicContact CG1-CB 4.18Å; V643-K679 PolarHBondContact O-NZ 3.04Å; V643-P680 WeakPolarHBondContact CG1-O 3.44Å; V643-L747 HydrophobicContact CG2-CB 4.08Å; V643-L747 HydrophobicContact CG2-CD1 4.33Å; V643-Y765 HydrophobicContact CG1-CD2 4.38Å
644	G	95.8	Very high	87.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	120.8	179.1	0	0	0	0	0	111.6	E536 S766	E536-G644 WeakPolarHBondContact OE1-CA 3.42Å; G644-S766 PolarHBondContact N-O 2.77Å; G644-S766 PolarHBondContact O-N 2.93Å; G644-S766 VanDerWaalsContact O-N 3.14Å
645	I	92.3	Very high	87.2	Confident	60 Å²	60	46.3 Å²	46.3	31%	0.308	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-103	122.9	-175.9	-60.5	178.3	0	0	0	107.7	E536 K647 K679 Y765	E536-I645 PolarHBondContact OE1-N 2.85Å; I645-K647 PolarHBondContact O-N 3.31Å; I645-K679 HydrophobicContact CD1-CD 4.17Å; I645-K679 HydrophobicContact CD1-CG 4.1Å; I645-Y765 HydrophobicContact CD1-CD2 4.29Å; I645-Y765 HydrophobicContact CD1-CE2 4.18Å; I645-Y765 HydrophobicContact CG1-CD1 4.38Å; I645-Y765 HydrophobicContact CG1-CD2 3.89Å; I645-Y765 HydrophobicContact CG1-CE2 4.15Å; I645-Y765 HydrophobicContact CG1-CG 4.03Å; I645-Y765 HydrophobicContact CG2-CD1 4.27Å; I645-Y765 HydrophobicContact CG2-CE1 3.95Å
646	P	86	Confident	87.1	Confident	7 Å²	7	46.4 Å²	46.4	5%	0.045	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-54.1	136.2	-177.8	-30	36.9	0	0	0	114.3	E536 V538 I617 G648	E536-P646 WeakPolarHBondContact O-CA 3.48Å; V538-P646 HydrophobicContact CG2-CB 4.04Å; V538-P646 HydrophobicContact CG2-CG 4.4Å; I617-P646 HydrophobicContact CD1-CG 4.3Å; P646-G648 PolarHBondContact O-N 2.99Å
647	K	79.4	Confident	87	Confident	133 Å²	133	47.9 Å²	47.9	58%	0.578	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	129.8	-175.5	-70.9	159.6	-174.3	145.6	0	110.9	E536 I645	E536-K647 PolarHBondContact O-N 2.82Å; E536-K647 WeakPolarHBondContact OE2-CE 3.1Å; E536-K647 IonicContact OE2-NZ 3.89Å; E536-K647 PolarHBondContact OE2-NZ 2.82Å; I645-K647 PolarHBondContact O-N 3.31Å
648	G	66.1	Low	86.9	Confident	83 Å²	83	51.9 Å²	51.9	86%	0.856	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	5.7	167.1	0	0	0	0	0	117.9	P646	P646-G648 PolarHBondContact O-N 2.99Å
649	Q	64.2	Low	86.7	Confident	96 Å²	96	51.8 Å²	51.8	45%	0.449	27%	0.274	S	S	.	.			trans	-114.7	81.8	-175.7	-59.6	-169.3	10	0	0	112.8	E651 Q652	Q649-E651 PolarHBondContact O-N 3.44Å; Q649-Q652 HydrophobicContact CB-CG 3.82Å; Q649-Q652 WeakPolarHBondContact O-CG 3.46Å; Q649-Q652 PolarHBondContact O-N 3.02Å
650	C	55.7	Low	86.6	Confident	122 Å²	122	51.9 Å²	51.9	82%	0.824	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-25.4	-177.5	-64.2	0	0	0	0	114	Q652 E653	C650-Q652 PolarHBondContact O-N 2.96Å; C650-E653 PolarHBondContact O-N 2.75Å
651	E	64	Low	86.4	Confident	170 Å²	170	56.3 Å²	56.3	79%	0.794	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-15.7	179.8	-61.5	178.4	168.4	0	0	113	Q649 E653	Q649-E651 PolarHBondContact O-N 3.44Å; E651-E653 PolarHBondContact O-N 2.96Å
652	Q	77	Confident	86.2	Confident	14 Å²	14	57.8 Å²	57.8	7%	0.065	30%	0.302	C	S	.	.	H	α-helix	trans	-68.4	-29.3	179.7	-63.1	-172.7	-6.6	0	0	113.9	I617 Q649 C650 E654 E655 V656 Y765	I617-Q652 HydrophobicContact CG2-CB 4.26Å; I617-Q652 HydrophobicContact CG2-CG 3.93Å; Q649-Q652 HydrophobicContact CB-CG 3.82Å; Q649-Q652 WeakPolarHBondContact O-CG 3.46Å; Q649-Q652 PolarHBondContact O-N 3.02Å; C650-Q652 PolarHBondContact O-N 2.96Å; Q652-E654 VanDerWaalsContact C-N 3.31Å; Q652-E654 PolarHBondContact O-N 3.44Å; Q652-E655 PolarHBondContact O-N 2.99Å; Q652-V656 WeakPolarHBondContact O-CB 3.25Å; Q652-V656 WeakPolarHBondContact O-CG2 3.49Å; Q652-V656 PolarHBondContact O-N 3.47Å; Q652-Y765 HydrophobicContact CB-CE1 4.21Å
653	E	87.4	Confident	86	Confident	96 Å²	96	56.2 Å²	56.2	45%	0.449	30%	0.297	S	S	.	.	H	α-helix	trans	-62.4	-38.3	-179.1	-79.9	-165.5	-157.3	0	0	111.9	C650 E651 L657 F673 K677	C650-E653 PolarHBondContact O-N 2.75Å; E651-E653 PolarHBondContact O-N 2.96Å; E653-L657 WeakPolarHBondContact O-CB 3.22Å; E653-L657 PolarHBondContact O-N 2.98Å; E653-F673 HydrophobicContact CB-CZ 4.43Å; E653-F673 HydrophobicContact CG-CZ 4.41Å; E653-K677 IonicContact OE2-NZ 3.96Å; E653-K677 PolarHBondContact OE2-NZ 2.66Å
654	E	90.3	Very high	85.9	Confident	119 Å²	119	60.4 Å²	60.4	56%	0.556	32%	0.319	S	S	*	.	H	α-helix	trans	-72.2	-37.6	-179.8	-153.4	-150.1	158.9	0	0	111.7	Q652 L657 R658	Q652-E654 VanDerWaalsContact C-N 3.31Å; Q652-E654 PolarHBondContact O-N 3.44Å; E654-L657 WeakPolarHBondContact O-CB 3.39Å; E654-L657 PolarHBondContact O-N 3.11Å; E654-R658 WeakPolarHBondContact O-CG 3.35Å; E654-R658 PolarHBondContact O-N 3.16Å; E654-R658 IonicContact OE1-CZ 2.77Å; E654-R658 IonicContact OE1-NH1 2.72Å; E654-R658 PolarHBondContact OE1-NH1 2.87Å; E654-R658 IonicContact OE2-CZ 2.77Å; E654-R658 IonicContact OE2-NH1 3.97Å; E654-R658 PolarHBondContact OE2-NH1 3.38Å; E654-R658 IonicContact OE2-NH2 3.72Å
655	E	91.6	Very high	85.9	Confident	11 Å²	11	61 Å²	61	5%	0.051	32%	0.324	C	S	.	.	H	α-helix	trans	-72.5	-36.1	178.4	-177.4	53.1	-150.6	0	0	112.5	I617 P619 R622 Q652 R658 T659	I617-E655 WeakPolarHBondContact O-CG 3.25Å; P619-E655 WeakPolarHBondContact CA-OE1 3.48Å; R622-E655 IonicContact CZ-OE1 3.39Å; R622-E655 IonicContact CZ-OE2 2.72Å; R622-E655 IonicContact NE-OE1 3.14Å; R622-E655 PolarHBondContact NE-OE1 2.98Å; R622-E655 IonicContact NH2-OE1 3.97Å; R622-E655 PolarHBondContact NH2-OE1 3.37Å; R622-E655 IonicContact NH2-OE2 2.66Å; R622-E655 PolarHBondContact NH2-OE2 3.24Å; Q652-E655 PolarHBondContact O-N 2.99Å; E655-R658 PolarHBondContact O-N 3.08Å; E655-R658 IonicContact OE2-CZ 2.78Å; E655-R658 IonicContact OE2-NE 3.74Å; E655-R658 PolarHBondContact OE2-NE 3.34Å; E655-R658 IonicContact OE2-NH2 2.81Å; E655-R658 PolarHBondContact OE2-NH2 2.95Å; E655-T659 WeakPolarHBondContact O-CB 3.19Å; E655-T659 PolarHBondContact O-N 2.93Å; E655-T659 PolarHBondContact O-OG1 3.34Å
656	V	94.1	Very high	86	Confident	3 Å²	3	59 Å²	59	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-64.3	-40.8	168.8	166.9	0	0	0	0	110.8	Q652 T659 I660 F673 P680 L764 Y765	Q652-V656 WeakPolarHBondContact O-CB 3.25Å; Q652-V656 WeakPolarHBondContact O-CG2 3.49Å; Q652-V656 PolarHBondContact O-N 3.47Å; V656-T659 PolarHBondContact O-N 2.79Å; V656-I660 HydrophobicContact CG1-CD1 3.88Å; V656-I660 HydrophobicContact CG1-CG1 4.47Å; V656-I660 VanDerWaalsContact O-CG1 3.28Å; V656-I660 WeakPolarHBondContact O-CG1 3.36Å; V656-I660 PolarHBondContact O-N 2.95Å; V656-F673 HydrophobicContact CB-CZ 4.43Å; V656-F673 HydrophobicContact CG1-CE1 3.95Å; V656-F673 HydrophobicContact CG1-CZ 3.93Å; V656-P680 HydrophobicContact CG1-CG 4.07Å; V656-L764 HydrophobicContact CG1-CB 4.1Å; V656-L764 HydrophobicContact CG1-CD1 4.29Å; V656-L764 HydrophobicContact CG1-CD2 4.38Å; V656-L764 HydrophobicContact CG1-CG 4.49Å; V656-L764 HydrophobicContact CG2-CB 4.32Å; V656-Y765 HydrophobicContact CG1-CE2 4.39Å; V656-Y765 HydrophobicContact CG2-CE1 4.04Å; V656-Y765 HydrophobicContact CG2-CE2 4.2Å
657	L	94.9	Very high	86.3	Confident	36 Å²	36	65.2 Å²	65.2	19%	0.188	34%	0.342	C	S	.	.	H	α-helix	trans	-61.2	-46.4	173.3	178.7	61.1	0	0	0	111.9	E653 E654 T659 I660 Q661 I670 F673 I674	E653-L657 WeakPolarHBondContact O-CB 3.22Å; E653-L657 PolarHBondContact O-N 2.98Å; E654-L657 WeakPolarHBondContact O-CB 3.39Å; E654-L657 PolarHBondContact O-N 3.11Å; L657-T659 VanDerWaalsContact C-N 3.28Å; L657-T659 PolarHBondContact O-N 3.13Å; L657-I660 PolarHBondContact O-N 3.33Å; L657-Q661 HydrophobicContact CD1-CG 4.34Å; L657-Q661 WeakPolarHBondContact O-CG 3.33Å; L657-Q661 PolarHBondContact O-N 3.19Å; L657-I670 HydrophobicContact CD1-CG2 3.98Å; L657-F673 HydrophobicContact CB-CE1 4.09Å; L657-F673 HydrophobicContact CD1-CD1 4.43Å; L657-I674 HydrophobicContact CD1-CD1 4.09Å; L657-I674 HydrophobicContact CD1-CG1 4.08Å; L657-I674 HydrophobicContact CD2-CD1 4Å; L657-I674 HydrophobicContact CG-CD1 4.48Å
658	R	94.6	Very high	86.9	Confident	84 Å²	84	62 Å²	62	32%	0.317	33%	0.331	S	S	.	.	H	α-helix	trans	-58.4	-41.1	175.2	-74	-173.2	-66.6	-109.7	0.5	111.4	E654 E655 Q661 D662	E654-R658 WeakPolarHBondContact O-CG 3.35Å; E654-R658 PolarHBondContact O-N 3.16Å; E654-R658 IonicContact OE1-CZ 2.77Å; E654-R658 IonicContact OE1-NH1 2.72Å; E654-R658 PolarHBondContact OE1-NH1 2.87Å; E654-R658 IonicContact OE2-CZ 2.77Å; E654-R658 IonicContact OE2-NH1 3.97Å; E654-R658 PolarHBondContact OE2-NH1 3.38Å; E654-R658 IonicContact OE2-NH2 3.72Å; E655-R658 PolarHBondContact O-N 3.08Å; E655-R658 IonicContact OE2-CZ 2.78Å; E655-R658 IonicContact OE2-NE 3.74Å; E655-R658 PolarHBondContact OE2-NE 3.34Å; E655-R658 IonicContact OE2-NH2 2.81Å; E655-R658 PolarHBondContact OE2-NH2 2.95Å; R658-Q661 PolarHBondContact O-N 2.69Å; R658-D662 WeakPolarHBondContact O-CB 3.4Å; R658-D662 PolarHBondContact O-N 3.23Å
659	T	95.6	Very high	88.3	Confident	8 Å²	8	58.2 Å²	58.2	5%	0.049	29%	0.291	C	S	.	.	H	α-helix	trans	-69.3	-36.6	178.2	-58.2	0	0	0	0	112.7	R622 E655 V656 L657 G663 L764	R622-T659 HydrophobicContact CG-CG2 4.28Å; R622-T659 PolarHBondContact NE-OG1 3.18Å; E655-T659 WeakPolarHBondContact O-CB 3.19Å; E655-T659 PolarHBondContact O-N 2.93Å; E655-T659 PolarHBondContact O-OG1 3.34Å; V656-T659 PolarHBondContact O-N 2.79Å; L657-T659 VanDerWaalsContact C-N 3.28Å; L657-T659 PolarHBondContact O-N 3.13Å; T659-G663 PolarHBondContact O-N 2.66Å; T659-L764 HydrophobicContact CG2-CD2 3.64Å
660	I	96.1	Very high	89.8	Confident	2 Å²	2	55.4 Å²	55.4	1%	0.01	28%	0.279	C	S	.	.	H	α-helix	trans	-63.7	-41.1	172.6	-72.2	168.5	0	0	0	111.1	V656 L657 G663 S665 I670 F673 P680 V744 L764	V656-I660 HydrophobicContact CG1-CD1 3.88Å; V656-I660 HydrophobicContact CG1-CG1 4.47Å; V656-I660 VanDerWaalsContact O-CG1 3.28Å; V656-I660 WeakPolarHBondContact O-CG1 3.36Å; V656-I660 PolarHBondContact O-N 2.95Å; L657-I660 PolarHBondContact O-N 3.33Å; I660-G663 PolarHBondContact O-N 2.97Å; I660-S665 VanDerWaalsContact O-CB 3.28Å; I660-S665 WeakPolarHBondContact O-CB 3.49Å; I660-S665 PolarHBondContact O-N 3.09Å; I660-S665 PolarHBondContact O-OG 2.82Å; I660-I670 HydrophobicContact CG2-CG1 3.94Å; I660-F673 HydrophobicContact CD1-CD1 3.75Å; I660-F673 HydrophobicContact CD1-CE1 4.17Å; I660-F673 HydrophobicContact CD1-CG 4.35Å; I660-P680 HydrophobicContact CD1-CB 4.42Å; I660-V744 HydrophobicContact CD1-CG1 4.43Å; I660-V744 HydrophobicContact CD1-CG2 4.37Å; I660-V744 HydrophobicContact CG1-CG2 3.94Å; I660-V744 HydrophobicContact CG2-CG2 4.01Å; I660-L764 HydrophobicContact CD1-CD1 4.04Å; I660-L764 HydrophobicContact CG1-CD1 3.82Å; I660-L764 HydrophobicContact CG1-CD2 4.43Å
661	Q	94.8	Very high	91.6	Very high	93 Å²	93	52.7 Å²	52.7	44%	0.435	25%	0.253	S	S	.	.	H	α-helix	trans	-71.5	-44.5	177.9	-70.3	172.2	-8.6	0	0	112.5	L657 R658 G663 D664 I670	L657-Q661 HydrophobicContact CD1-CG 4.34Å; L657-Q661 WeakPolarHBondContact O-CG 3.33Å; L657-Q661 PolarHBondContact O-N 3.19Å; R658-Q661 PolarHBondContact O-N 2.69Å; Q661-G663 PolarHBondContact O-N 2.91Å; Q661-D664 PolarHBondContact O-N 2.69Å; Q661-D664 VanDerWaalsContact O-N 3.1Å; Q661-I670 HydrophobicContact CG-CD1 4.03Å
662	D	94.1	Very high	93	Very high	41 Å²	41	44.8 Å²	44.8	22%	0.219	22%	0.216	C	C	.	.	H	α-helix	trans	-65.1	-16.5	170.4	-86	-11.7	0	0	0	112.9	R622 R658 D664 R726 R729	R622-D662 IonicContact CZ-OD2 3.82Å; R622-D662 IonicContact NH1-OD2 3.9Å; R622-D662 PolarHBondContact NH1-OD2 3.45Å; R658-D662 WeakPolarHBondContact O-CB 3.4Å; R658-D662 PolarHBondContact O-N 3.23Å; D662-D664 VanDerWaalsContact C-N 3.28Å; D662-R726 WeakPolarHBondContact O-CD 3.37Å; D662-R726 WeakPolarHBondContact O-CG 3.25Å; D662-R726 IonicContact OD1-CZ 3.17Å; D662-R726 IonicContact OD1-NE 3.61Å; D662-R726 IonicContact OD1-NH1 2.63Å; D662-R726 PolarHBondContact OD1-NH1 2.73Å; D662-R726 IonicContact OD1-NH2 3.89Å; D662-R729 PolarHBondContact O-NH2 3.42Å
663	G	94.9	Very high	93.9	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.01	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-1.7	171.4	0	0	0	0	0	115	T659 I660 Q661 S665 A742	T659-G663 PolarHBondContact O-N 2.66Å; I660-G663 PolarHBondContact O-N 2.97Å; Q661-G663 PolarHBondContact O-N 2.91Å; G663-S665 VanDerWaalsContact C-N 3.29Å; G663-S665 PolarHBondContact O-N 3.17Å; G663-A742 WeakPolarHBondContact O-CB 3.38Å
664	D	95.6	Very high	94.2	Very high	89 Å²	89	43.2 Å²	43.2	48%	0.476	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	32.7	-177	-42.5	-65.5	0	0	0	113.4	Q661 D662 R729	Q661-D664 PolarHBondContact O-N 2.69Å; Q661-D664 VanDerWaalsContact O-N 3.1Å; D662-D664 VanDerWaalsContact C-N 3.28Å; D664-R729 IonicContact OD2-CZ 2.95Å; D664-R729 IonicContact OD2-NE 2.65Å; D664-R729 PolarHBondContact OD2-NE 2.86Å; D664-R729 VanDerWaalsContact OD2-NE 3.14Å; D664-R729 IonicContact OD2-NH2 2.81Å; D664-R729 PolarHBondContact OD2-NH2 2.85Å
665	S	94.9	Very high	94.3	Very high	14 Å²	14	43 Å²	43	10%	0.098	21%	0.209	C	C	.	.			trans	-76.6	148.2	178.7	-50.4	0	0	0	0	113.1	I660 G663	I660-S665 VanDerWaalsContact O-CB 3.28Å; I660-S665 WeakPolarHBondContact O-CB 3.49Å; I660-S665 PolarHBondContact O-N 3.09Å; I660-S665 PolarHBondContact O-OG 2.82Å; G663-S665 VanDerWaalsContact C-N 3.29Å; G663-S665 PolarHBondContact O-N 3.17Å
666	D	93.9	Very high	94.2	Very high	18 Å²	18	43.9 Å²	43.9	10%	0.096	22%	0.221	C	C	.	.			trans	-77.2	164.3	-177.7	74.2	79.4	0	0	0	114.8	C455 L668 T669 I670	C455-D666 PolarHBondContact N-OD2 3.13Å; D666-L668 PolarHBondContact O-N 3.34Å; D666-L668 WeakPolarHBondContact OD1-CA 3.47Å; D666-L668 WeakPolarHBondContact OD1-CB 3.45Å; D666-L668 PolarHBondContact OD1-N 2.92Å; D666-T669 WeakPolarHBondContact O-CB 3.46Å; D666-T669 PolarHBondContact O-N 3.48Å; D666-T669 PolarHBondContact OD1-N 2.97Å; D666-T669 PolarHBondContact OD1-OG1 2.81Å; D666-T669 PolarHBondContact OD2-OG1 3.48Å; D666-I670 WeakPolarHBondContact O-CG1 3.31Å; D666-I670 PolarHBondContact O-N 3.39Å
667	E	93.2	Very high	94.1	Very high	136 Å²	136	50 Å²	50	64%	0.636	25%	0.247	S	C	*	.	H	α-helix	trans	-59.2	-37.7	-179	-76.4	-164.9	-156.6	0	0	114.8	I670 K671	E667-I670 PolarHBondContact O-N 2.9Å; E667-K671 WeakPolarHBondContact O-CB 3.46Å; E667-K671 VanDerWaalsContact O-CG 3.23Å; E667-K671 WeakPolarHBondContact O-CG 3.4Å; E667-K671 PolarHBondContact O-N 2.9Å; E667-K671 IonicContact OE2-NZ 2.86Å; E667-K671 PolarHBondContact OE2-NZ 3.3Å
668	L	92.8	Very high	94.1	Very high	67 Å²	67	51 Å²	51	35%	0.351	25%	0.251	S	S	.	.	H	α-helix	trans	-71.4	-38.9	-179	-62.9	176.3	0	0	0	109.8	L454 D666 I670 K671 R672	L454-L668 HydrophobicContact CD2-CB 3.58Å; L454-L668 HydrophobicContact CD2-CD1 4.28Å; D666-L668 PolarHBondContact O-N 3.34Å; D666-L668 WeakPolarHBondContact OD1-CA 3.47Å; D666-L668 WeakPolarHBondContact OD1-CB 3.45Å; D666-L668 PolarHBondContact OD1-N 2.92Å; L668-I670 VanDerWaalsContact C-N 3.34Å; L668-I670 PolarHBondContact O-N 2.96Å; L668-K671 PolarHBondContact O-N 3.38Å; L668-R672 PolarHBondContact O-N 3.2Å
669	T	95	Very high	94.1	Very high	3 Å²	3	51 Å²	51	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-58.5	-43.1	170.6	-65	0	0	0	0	111.9	D666 R672 V744 F746	D666-T669 WeakPolarHBondContact O-CB 3.46Å; D666-T669 PolarHBondContact O-N 3.48Å; D666-T669 PolarHBondContact OD1-N 2.97Å; D666-T669 PolarHBondContact OD1-OG1 2.81Å; D666-T669 PolarHBondContact OD2-OG1 3.48Å; T669-R672 PolarHBondContact O-N 3.41Å; T669-V744 HydrophobicContact CG2-CB 3.66Å; T669-V744 HydrophobicContact CG2-CG2 3.61Å; T669-F746 HydrophobicContact CG2-CE2 4.42Å
670	I	95.3	Very high	94.2	Very high	37 Å²	37	50.7 Å²	50.7	19%	0.19	25%	0.251	C	S	.	.	H	α-helix	trans	-64.7	-40	174.4	-67.6	166.7	0	0	0	111.3	L657 I660 Q661 D666 E667 L668 F673 I674	L657-I670 HydrophobicContact CD1-CG2 3.98Å; I660-I670 HydrophobicContact CG2-CG1 3.94Å; Q661-I670 HydrophobicContact CG-CD1 4.03Å; D666-I670 WeakPolarHBondContact O-CG1 3.31Å; D666-I670 PolarHBondContact O-N 3.39Å; E667-I670 PolarHBondContact O-N 2.9Å; L668-I670 VanDerWaalsContact C-N 3.34Å; L668-I670 PolarHBondContact O-N 2.96Å; I670-F673 PolarHBondContact O-N 2.75Å; I670-I674 HydrophobicContact CG2-CG1 4.27Å; I670-I674 PolarHBondContact O-N 3.04Å
671	K	94.1	Very high	94.3	Very high	64 Å²	64	50.6 Å²	50.6	28%	0.278	25%	0.251	S	S	.	.	H	α-helix	trans	-68	-33.1	178.7	-71.2	168.9	175.2	146.6	0	113.1	L438 E667 L668 F673 I674 E675 G676	L438-K671 HydrophobicContact CD1-CB 3.72Å; E667-K671 WeakPolarHBondContact O-CB 3.46Å; E667-K671 VanDerWaalsContact O-CG 3.23Å; E667-K671 WeakPolarHBondContact O-CG 3.4Å; E667-K671 PolarHBondContact O-N 2.9Å; E667-K671 IonicContact OE2-NZ 2.86Å; E667-K671 PolarHBondContact OE2-NZ 3.3Å; L668-K671 PolarHBondContact O-N 3.38Å; K671-F673 VanDerWaalsContact C-N 3.28Å; K671-F673 PolarHBondContact O-N 3.26Å; K671-I674 PolarHBondContact O-N 2.99Å; K671-E675 HydrophobicContact CB-CG 4.39Å; K671-E675 HydrophobicContact CG-CG 4.39Å; K671-E675 WeakPolarHBondContact CG-OE1 3.2Å; K671-E675 WeakPolarHBondContact O-CA 3.23Å; K671-E675 WeakPolarHBondContact O-CB 3.39Å; K671-E675 PolarHBondContact O-N 2.63Å; K671-G676 PolarHBondContact O-N 3.03Å
672	R	93.9	Very high	94.5	Very high	5 Å²	5	46.2 Å²	46.2	2%	0.019	23%	0.23	C	C	.	.	H	α-helix	trans	-54.7	-43.1	170.1	-73	-176.2	70.3	-165.4	4.6	112.2	M485 L668 T669 G676 K677 E678 F746 D749	M485-R672 VanDerWaalsContact CE-NH1 3.28Å; L668-R672 PolarHBondContact O-N 3.2Å; T669-R672 PolarHBondContact O-N 3.41Å; R672-G676 CarbonylContact O-C 3.57Å; R672-G676 VanDerWaalsContact O-CA 3.27Å; R672-G676 WeakPolarHBondContact O-CA 3.32Å; R672-G676 PolarHBondContact O-N 3.12Å; R672-K677 PolarHBondContact O-N 2.84Å; R672-E678 VanDerWaalsContact CB-OE1 3.32Å; R672-E678 WeakPolarHBondContact CB-OE1 3.37Å; R672-E678 VanDerWaalsContact CG-OE1 3.26Å; R672-E678 WeakPolarHBondContact CG-OE1 3.43Å; R672-E678 IonicContact CZ-OE1 3.29Å; R672-E678 IonicContact CZ-OE2 2.66Å; R672-E678 IonicContact NE-OE1 2.89Å; R672-E678 PolarHBondContact NE-OE1 2.89Å; R672-E678 IonicContact NE-OE2 2.82Å; R672-E678 PolarHBondContact NE-OE2 3.09Å; R672-E678 IonicContact NH2-OE1 2.87Å; R672-E678 IonicContact NH2-OE2 3.72Å; R672-E678 PolarHBondContact NH2-OE2 3.28Å; R672-E678 PolarHBondContact O-N 3.25Å; R672-F746 HydrophobicContact CB-CE1 4.17Å; R672-F746 HydrophobicContact CB-CE2 4.04Å; R672-F746 HydrophobicContact CB-CZ 3.7Å; R672-F746 VanDerWaalsContact CZ-CD2 3.43Å; R672-F746 VanDerWaalsContact NH1-CD2 3.28Å; R672-D749 IonicContact CZ-OD1 3.94Å; R672-D749 IonicContact CZ-OD2 3.81Å; R672-D749 VanDerWaalsContact CZ-OD2 3.32Å; R672-D749 IonicContact NH1-OD1 3.13Å; R672-D749 IonicContact NH1-OD2 2.69Å; R672-D749 PolarHBondContact NH1-OD2 2.83Å; R672-D749 IonicContact NH2-OD1 2.75Å; R672-D749 PolarHBondContact NH2-OD1 2.94Å; R672-D749 IonicContact NH2-OD2 3.78Å; R672-D749 PolarHBondContact NH2-OD2 3.3Å
673	F	94.4	Very high	94.7	Very high	9 Å²	9	44.3 Å²	44.3	4%	0.039	22%	0.22	C	C	.	.	H	α-helix	trans	-72.7	-54	177	178.9	-143.1	0	0	0	112.3	E653 V656 L657 I660 I670 K671 K677 P680 F746	E653-F673 HydrophobicContact CB-CZ 4.43Å; E653-F673 HydrophobicContact CG-CZ 4.41Å; V656-F673 HydrophobicContact CB-CZ 4.43Å; V656-F673 HydrophobicContact CG1-CE1 3.95Å; V656-F673 HydrophobicContact CG1-CZ 3.93Å; L657-F673 HydrophobicContact CB-CE1 4.09Å; L657-F673 HydrophobicContact CD1-CD1 4.43Å; I660-F673 HydrophobicContact CD1-CD1 3.75Å; I660-F673 HydrophobicContact CD1-CE1 4.17Å; I660-F673 HydrophobicContact CD1-CG 4.35Å; I670-F673 PolarHBondContact O-N 2.75Å; K671-F673 VanDerWaalsContact C-N 3.28Å; K671-F673 PolarHBondContact O-N 3.26Å; F673-K677 WeakPolarHBondContact O-CA 3.31Å; F673-K677 PolarHBondContact O-N 3.14Å; F673-P680 HydrophobicContact CD2-CG 3.73Å; F673-P680 HydrophobicContact CE2-CG 3.77Å; F673-P680 HydrophobicContact CG-CG 4.27Å; F673-P680 HydrophobicContact CZ-CG 4.32Å; F673-F746 HydrophobicContact CB-CE1 3.93Å; F673-F746 HydrophobicContact CB-CZ 4.06Å
674	I	93.5	Very high	94.9	Very high	67 Å²	67	44.6 Å²	44.6	34%	0.344	22%	0.221	S	C	.	.	H	α-helix	trans	-80.4	-46.4	-168.7	-60.8	-61.6	0	0	0	113.1	L657 I670 K671 K677	L657-I674 HydrophobicContact CD1-CD1 4.09Å; L657-I674 HydrophobicContact CD1-CG1 4.08Å; L657-I674 HydrophobicContact CD2-CD1 4Å; L657-I674 HydrophobicContact CG-CD1 4.48Å; I670-I674 HydrophobicContact CG2-CG1 4.27Å; I670-I674 PolarHBondContact O-N 3.04Å; K671-I674 PolarHBondContact O-N 2.99Å; I674-K677 WeakPolarHBondContact O-CE 3.48Å
675	E	92.9	Very high	95	Very high	116 Å²	116	40.7 Å²	40.7	54%	0.542	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-43.8	-179.1	-58.2	177.1	-168.6	0	0	111.3	K671 K677	K671-E675 HydrophobicContact CB-CG 4.39Å; K671-E675 HydrophobicContact CG-CG 4.39Å; K671-E675 WeakPolarHBondContact CG-OE1 3.2Å; K671-E675 WeakPolarHBondContact O-CA 3.23Å; K671-E675 WeakPolarHBondContact O-CB 3.39Å; K671-E675 PolarHBondContact O-N 2.63Å; E675-K677 VanDerWaalsContact C-N 3.34Å
676	G	89.9	Confident	95.2	Very high	29 Å²	29	40 Å²	40	30%	0.299	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-20.1	-178.7	0	0	0	0	0	114.6	K671 R672 E678	K671-G676 PolarHBondContact O-N 3.03Å; R672-G676 CarbonylContact O-C 3.57Å; R672-G676 VanDerWaalsContact O-CA 3.27Å; R672-G676 WeakPolarHBondContact O-CA 3.32Å; R672-G676 PolarHBondContact O-N 3.12Å; G676-E678 PolarHBondContact O-N 3.48Å
677	K	91.6	Very high	95.5	Very high	130 Å²	130	39.4 Å²	39.4	57%	0.565	19%	0.191	S	C	*	.			trans	50.9	32.4	-174.1	-64.8	-59.7	-172.4	179.3	0	113.6	E653 R672 F673 I674 E675	E653-K677 IonicContact OE2-NZ 3.96Å; E653-K677 PolarHBondContact OE2-NZ 2.66Å; R672-K677 PolarHBondContact O-N 2.84Å; F673-K677 WeakPolarHBondContact O-CA 3.31Å; F673-K677 PolarHBondContact O-N 3.14Å; I674-K677 WeakPolarHBondContact O-CE 3.48Å; E675-K677 VanDerWaalsContact C-N 3.34Å
678	E	94.9	Very high	95.7	Very high	58 Å²	58	33.5 Å²	33.5	27%	0.271	17%	0.165	S	C	.	.			trans	-69.8	145.6	169	-60.7	-173.6	-114.4	0	0	110.1	R672 G676 P680 F746	R672-E678 VanDerWaalsContact CB-OE1 3.32Å; R672-E678 WeakPolarHBondContact CB-OE1 3.37Å; R672-E678 VanDerWaalsContact CG-OE1 3.26Å; R672-E678 WeakPolarHBondContact CG-OE1 3.43Å; R672-E678 IonicContact CZ-OE1 3.29Å; R672-E678 IonicContact CZ-OE2 2.66Å; R672-E678 IonicContact NE-OE1 2.89Å; R672-E678 PolarHBondContact NE-OE1 2.89Å; R672-E678 IonicContact NE-OE2 2.82Å; R672-E678 PolarHBondContact NE-OE2 3.09Å; R672-E678 IonicContact NH2-OE1 2.87Å; R672-E678 IonicContact NH2-OE2 3.72Å; R672-E678 PolarHBondContact NH2-OE2 3.28Å; R672-E678 PolarHBondContact O-N 3.25Å; G676-E678 PolarHBondContact O-N 3.48Å; E678-P680 WeakPolarHBondContact O-CD 3.19Å; E678-F746 HydrophobicContact CB-CB 4.5Å; E678-F746 HydrophobicContact CB-CD1 3.39Å; E678-F746 HydrophobicContact CB-CE1 3.83Å; E678-F746 HydrophobicContact CB-CG 4.16Å
679	K	95.6	Very high	95.8	Very high	85 Å²	85	31.9 Å²	31.9	37%	0.37	16%	0.162	S	C	.	.			trans	-80.2	109.4	178.5	-68.6	-171.6	170.1	-167.7	0	111.2	V643 I645 F746 L747	V643-K679 HydrophobicContact CB-CB 4.24Å; V643-K679 HydrophobicContact CB-CD 4.36Å; V643-K679 HydrophobicContact CG1-CB 4.18Å; V643-K679 PolarHBondContact O-NZ 3.04Å; I645-K679 HydrophobicContact CD1-CD 4.17Å; I645-K679 HydrophobicContact CD1-CG 4.1Å; K679-F746 VanDerWaalsContact C-CD1 3.47Å; K679-F746 CarbonylContact O-C 3.54Å; K679-F746 VanDerWaalsContact O-CA 3.26Å; K679-F746 WeakPolarHBondContact O-CA 3.27Å; K679-F746 WeakPolarHBondContact O-CB 3.21Å; K679-F746 WeakPolarHBondContact O-CD1 3.32Å; K679-L747 HydrophobicContact CB-CB 4.29Å; K679-L747 HydrophobicContact CD-CD2 4.39Å; K679-L747 PolarHBondContact O-N 3.16Å
680	P	97.3	Very high	95.8	Very high	1 Å²	1	40 Å²	40	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	129.7	175.5	32.6	-34.3	0	0	0	109.3	V643 V656 I660 F673 E678 V744 F746 L764 Y765	V643-P680 WeakPolarHBondContact CG1-O 3.44Å; V656-P680 HydrophobicContact CG1-CG 4.07Å; I660-P680 HydrophobicContact CD1-CB 4.42Å; F673-P680 HydrophobicContact CD2-CG 3.73Å; F673-P680 HydrophobicContact CE2-CG 3.77Å; F673-P680 HydrophobicContact CG-CG 4.27Å; F673-P680 HydrophobicContact CZ-CG 4.32Å; E678-P680 WeakPolarHBondContact O-CD 3.19Å; P680-V744 HydrophobicContact CB-CG1 3.64Å; P680-F746 HydrophobicContact CB-CD1 4.01Å; P680-F746 HydrophobicContact CB-CE1 3.8Å; P680-F746 HydrophobicContact CB-CZ 4.33Å; P680-F746 HydrophobicContact CG-CE1 4.48Å; P680-L764 HydrophobicContact CB-CD1 4Å; P680-Y765 HydrophobicContact CG-CD2 4.33Å; P680-Y765 HydrophobicContact CG-CE2 4.15Å; P680-Y765 WeakPolarHBondContact O-CD2 3.41Å
681	G	98.1	Very high	95.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	-61.4	177	0	0	0	0	0	112.1	Q745 L764 Y765 C767	G681-Q745 WeakPolarHBondContact CA-O 3.47Å; G681-Q745 PolarHBondContact N-O 2.98Å; G681-L764 PolarHBondContact O-N 3.27Å; G681-Y765 PolarHBondContact O-N 2.95Å; G681-C767 WeakPolarHBondContact CA-SG 3.32Å; G681-C767 PolarHBondContact O-SG 3.32Å
682	A	98.5	Very high	95.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	146.5	-174	0	0	0	0	0	112.6	M640 Q745 V761 H762	M640-A682 HydrophobicContact CE-CB 4.16Å; A682-Q745 PolarHBondContact N-O 3.39Å; A682-Q745 PolarHBondContact O-N 3.33Å; A682-V761 HydrophobicContact CB-CG1 3.83Å; A682-H762 CarbonylContact C-O 3.5Å; A682-H762 WeakPolarHBondContact CA-O 3.38Å
683	L	98.7	Very high	95.9	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	128.2	167.1	175	64.3	0	0	0	109.3	H685 V744 H762 L764	L683-H685 WeakPolarHBondContact CD2-NE2 3.22Å; L683-H685 VanDerWaalsContact CG-NE2 3.34Å; L683-H685 WeakPolarHBondContact CG-NE2 3.5Å; L683-V744 HydrophobicContact CD1-CG2 4.13Å; L683-H762 PolarHBondContact N-O 3.4Å; L683-H762 PolarHBondContact O-N 3.33Å; L683-L764 HydrophobicContact CB-CD1 4.41Å; L683-L764 HydrophobicContact CB-CD2 4.41Å; L683-L764 HydrophobicContact CB-CG 4.43Å
684	W	98.8	Very high	96	Very high	6 Å²	6	44 Å²	44	2%	0.023	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	145.3	174.8	-65.6	68.4	0	0	0	110.1	N638 I686 A742 I743 I753 H759 Q760 V761 K769	N638-W684 HydrophobicContact CB-CH2 3.9Å; N638-W684 HydrophobicContact CB-CZ2 4.15Å; W684-I686 HydrophobicContact CB-CG1 4.49Å; W684-I686 HydrophobicContact CE3-CD1 4.4Å; W684-I686 HydrophobicContact CE3-CG1 4.48Å; W684-A742 WeakPolarHBondContact O-CA 3.36Å; W684-I743 HydrophobicContact CB-CB 4.31Å; W684-I743 PolarHBondContact N-O 2.8Å; W684-I743 PolarHBondContact O-N 3.13Å; W684-I753 HydrophobicContact CH2-CD1 4.38Å; W684-I753 HydrophobicContact CZ3-CD1 4.13Å; W684-I753 HydrophobicContact CZ3-CG1 4.27Å; W684-H759 AromaticContact CE3-CD2 3.95Å; W684-H759 AromaticContact CZ3-CD2 3.54Å; W684-H759 AromaticContact CZ3-NE2 4Å; W684-Q760 WeakPolarHBondContact CA-O 3.48Å; W684-V761 HydrophobicContact CD2-CG1 4.3Å; W684-V761 HydrophobicContact CD2-CG2 3.74Å; W684-V761 HydrophobicContact CE3-CG2 3.57Å; W684-V761 HydrophobicContact CH2-CG2 3.77Å; W684-V761 HydrophobicContact CZ2-CG1 4.27Å; W684-V761 HydrophobicContact CZ2-CG2 3.93Å; W684-V761 HydrophobicContact CZ3-CG2 3.6Å; W684-K769 HydrophobicContact CZ2-CD 4.21Å
685	H	98.8	Very high	96.2	Very high	7 Å²	7	40.8 Å²	40.8	3%	0.032	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	119.4	158.8	-55.7	88.9	0	0	0	108.6	L683 Y687 Y723 R729 W741 H759 Q760	L683-H685 WeakPolarHBondContact CD2-NE2 3.22Å; L683-H685 VanDerWaalsContact CG-NE2 3.34Å; L683-H685 WeakPolarHBondContact CG-NE2 3.5Å; H685-Y687 HydrophobicContact CB-CE2 4.08Å; H685-Y723 PolarHBondContact NE2-OH 2.87Å; H685-R729 VanDerWaalsContact CD2-CD 3.42Å; H685-R729 WeakPolarHBondContact CD2-CD 3.48Å; H685-R729 PolarHBondContact NE2-NH1 3Å; H685-W741 WeakPolarHBondContact CA-O 3.43Å; H685-H759 VanDerWaalsContact O-CA 3.25Å; H685-H759 WeakPolarHBondContact O-CA 3.37Å; H685-Q760 HydrophobicContact CB-CG 3.9Å; H685-Q760 VanDerWaalsContact CE1-CG 3.44Å; H685-Q760 WeakPolarHBondContact CE1-CG 3.49Å; H685-Q760 PolarHBondContact CE1-NE2 2.79Å; H685-Q760 PolarHBondContact N-O 2.75Å; H685-Q760 VanDerWaalsContact N-O 3.12Å; H685-Q760 PolarHBondContact ND1-NE2 3.22Å; H685-Q760 PolarHBondContact O-N 3.42Å
686	I	98.8	Very high	96.3	Very high	1 Å²	1	36 Å²	36	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.2	178.7	-54.5	-176.8	0	0	0	108.6	P483 W684 G740 W741 I743 V751 I753 A757 H759	P483-I686 HydrophobicContact CB-CD1 3.95Å; P483-I686 HydrophobicContact CB-CG2 4.41Å; P483-I686 HydrophobicContact CG-CD1 4.46Å; P483-I686 HydrophobicContact CG-CG2 4.29Å; W684-I686 HydrophobicContact CB-CG1 4.49Å; W684-I686 HydrophobicContact CE3-CD1 4.4Å; W684-I686 HydrophobicContact CE3-CG1 4.48Å; I686-G740 CarbonylContact O-C 3.57Å; I686-G740 WeakPolarHBondContact O-CA 3.44Å; I686-W741 PolarHBondContact N-O 3.29Å; I686-W741 PolarHBondContact O-N 3.14Å; I686-I743 HydrophobicContact CD1-CD1 3.93Å; I686-I743 HydrophobicContact CG1-CD1 4.47Å; I686-V751 HydrophobicContact CD1-CG1 3.78Å; I686-I753 HydrophobicContact CD1-CG1 4.13Å; I686-A757 HydrophobicContact CG2-CB 4.19Å; I686-H759 HydrophobicContact CB-CB 4.34Å; I686-H759 HydrophobicContact CG1-CB 3.95Å; I686-H759 HydrophobicContact CG2-CB 4.38Å
687	Y	98.6	Very high	96.6	Very high	5 Å²	5	39.3 Å²	39.3	2%	0.02	19%	0.185	C	C	.	.			trans	-121.4	153.8	177.1	-56.2	-86.8	0	0	0	110.5	L629 H685 I695 L724 R729 L732 V738 A757 P758	L629-Y687 HydrophobicContact CD1-CD2 4.06Å; L629-Y687 HydrophobicContact CD1-CE2 3.99Å; H685-Y687 HydrophobicContact CB-CE2 4.08Å; Y687-I695 HydrophobicContact CD1-CD1 4.17Å; Y687-I695 HydrophobicContact CD2-CD1 4.25Å; Y687-I695 HydrophobicContact CG-CD1 3.75Å; Y687-L724 HydrophobicContact CE2-CD1 3.72Å; Y687-L724 WeakPolarHBondContact OH-CD1 3.2Å; Y687-R729 WeakPolarHBondContact OH-CD 3.4Å; Y687-R729 WeakPolarHBondContact OH-CG 3.22Å; Y687-L732 HydrophobicContact CE1-CD2 3.97Å; Y687-V738 HydrophobicContact CD1-CG1 3.9Å; Y687-A757 WeakPolarHBondContact O-CA 3.46Å; Y687-A757 WeakPolarHBondContact O-CB 3.43Å; Y687-P758 WeakPolarHBondContact CD2-O 3.33Å; Y687-P758 PolarHBondContact N-O 2.96Å; Y687-P758 WeakPolarHBondContact O-CD 3.4Å
688	A	97.7	Very high	96.9	Very high	11 Å²	11	33.1 Å²	33.1	9%	0.091	16%	0.158	C	C	.	.			trans	-73	137.6	-179.3	0	0	0	0	0	111.2	K690 D691 W741	A688-K690 HydrophobicContact CB-CD 4.28Å; A688-K690 HydrophobicContact CB-CG 4.02Å; A688-K690 PolarHBondContact O-N 2.75Å; A688-D691 PolarHBondContact O-N 2.87Å; A688-W741 HydrophobicContact CB-CH2 4.26Å; A688-W741 HydrophobicContact CB-CZ3 4.16Å
689	A	95.4	Very high	96.9	Very high	33 Å²	33	30.4 Å²	30.4	27%	0.273	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-16.8	-179.1	0	0	0	0	0	115	T692 G756	A689-T692 PolarHBondContact O-OG1 3.06Å; A689-G756 WeakPolarHBondContact CA-O 3.38Å; A689-G756 VanDerWaalsContact CB-C 3.49Å; A689-G756 VanDerWaalsContact CB-O 3.29Å; A689-G756 WeakPolarHBondContact CB-O 3.4Å
690	K	95	Very high	96.8	Very high	174 Å²	174	29.7 Å²	29.7	76%	0.757	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-19.1	174.8	75.1	-169.5	-178.8	-174.6	0	113.8	A688	A688-K690 HydrophobicContact CB-CD 4.28Å; A688-K690 HydrophobicContact CB-CG 4.02Å; A688-K690 PolarHBondContact O-N 2.75Å
691	D	96.9	Very high	96.7	Very high	16 Å²	16	32.8 Å²	32.8	9%	0.086	16%	0.155	C	C	.	.	S	Bend	trans	-104	-1.6	-174.3	-68.2	-69.1	0	0	0	112.3	A688 E693 K694 I695 V738	A688-D691 PolarHBondContact O-N 2.87Å; D691-E693 VanDerWaalsContact C-N 3.32Å; D691-E693 PolarHBondContact O-N 3.23Å; D691-K694 HydrophobicContact CB-CD 4.43Å; D691-K694 WeakPolarHBondContact O-CB 3.31Å; D691-K694 PolarHBondContact O-N 3.25Å; D691-K694 WeakPolarHBondContact OD1-CE 3.44Å; D691-K694 IonicContact OD1-NZ 3.82Å; D691-K694 PolarHBondContact OD1-NZ 2.87Å; D691-I695 PolarHBondContact O-N 3.13Å; D691-V738 HydrophobicContact CB-CG1 4.04Å; D691-V738 HydrophobicContact CB-CG2 3.98Å
692	T	94.5	Very high	96.6	Very high	12 Å²	12	33 Å²	33	7%	0.074	16%	0.156	C	C	.	.	H	α-helix	trans	-48.7	-46	179	-55.8	0	0	0	0	113.4	L631 A689 K694 I695 R696 I717 P758	L631-T692 HydrophobicContact CD2-CG2 3.56Å; A689-T692 PolarHBondContact O-OG1 3.06Å; T692-K694 VanDerWaalsContact C-N 3.35Å; T692-K694 PolarHBondContact O-N 2.82Å; T692-I695 PolarHBondContact O-N 3.5Å; T692-I695 VanDerWaalsContact O-N 3.17Å; T692-R696 WeakPolarHBondContact O-CB 3.42Å; T692-R696 PolarHBondContact O-N 2.8Å; T692-I717 HydrophobicContact CG2-CD1 3.78Å; T692-P758 HydrophobicContact CG2-CG 4.02Å; T692-P758 WeakPolarHBondContact OG1-CD 3.29Å; T692-P758 WeakPolarHBondContact OG1-CG 3.19Å
693	E	93.4	Very high	96.3	Very high	97 Å²	97	33 Å²	33	45%	0.453	16%	0.156	S	C	.	.	H	α-helix	trans	-65.2	-37	-179.1	-165.7	60	-146.2	0	0	112.4	D691 I695 R696 E697	D691-E693 VanDerWaalsContact C-N 3.32Å; D691-E693 PolarHBondContact O-N 3.23Å; E693-I695 VanDerWaalsContact C-N 3.29Å; E693-I695 PolarHBondContact O-N 2.89Å; E693-R696 WeakPolarHBondContact O-CB 3.31Å; E693-R696 PolarHBondContact O-N 2.67Å; E693-R696 WeakPolarHBondContact OE1-CD 3.3Å; E693-R696 WeakPolarHBondContact OE2-CD 3.35Å; E693-R696 IonicContact OE2-CZ 2.67Å; E693-R696 IonicContact OE2-NE 3.4Å; E693-R696 IonicContact OE2-NH1 3.18Å; E693-R696 PolarHBondContact OE2-NH1 2.82Å; E693-E697 WeakPolarHBondContact O-CG 3.48Å; E693-E697 PolarHBondContact O-N 3.05Å
694	K	97.8	Very high	95.9	Very high	74 Å²	74	39.8 Å²	39.8	32%	0.322	19%	0.188	S	C	.	.	H	α-helix	trans	-65	-36.6	175.4	-60.2	172.8	179.9	174.4	0	111.7	D691 T692 F698 Y736 V738	D691-K694 HydrophobicContact CB-CD 4.43Å; D691-K694 WeakPolarHBondContact O-CB 3.31Å; D691-K694 PolarHBondContact O-N 3.25Å; D691-K694 WeakPolarHBondContact OD1-CE 3.44Å; D691-K694 IonicContact OD1-NZ 3.82Å; D691-K694 PolarHBondContact OD1-NZ 2.87Å; T692-K694 VanDerWaalsContact C-N 3.35Å; T692-K694 PolarHBondContact O-N 2.82Å; K694-F698 VanDerWaalsContact O-CB 3.22Å; K694-F698 WeakPolarHBondContact O-CB 3.37Å; K694-F698 PolarHBondContact O-N 3.37Å; K694-Y736 HydrophobicContact CB-CD1 3.85Å; K694-Y736 HydrophobicContact CB-CG 4.38Å; K694-Y736 HydrophobicContact CG-CD1 4.38Å; K694-V738 HydrophobicContact CB-CG2 3.91Å; K694-V738 HydrophobicContact CD-CG2 3.38Å; K694-V738 HydrophobicContact CG-CG2 4.36Å
695	I	98	Very high	95.7	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-69.6	-38.7	177.6	-60.3	166.6	0	0	0	109.8	L629 Y687 D691 T692 E693 F698 L699 I717 L732 V738 P758	L629-I695 HydrophobicContact CD2-CG2 3.72Å; Y687-I695 HydrophobicContact CD1-CD1 4.17Å; Y687-I695 HydrophobicContact CD2-CD1 4.25Å; Y687-I695 HydrophobicContact CG-CD1 3.75Å; D691-I695 PolarHBondContact O-N 3.13Å; T692-I695 PolarHBondContact O-N 3.5Å; T692-I695 VanDerWaalsContact O-N 3.17Å; E693-I695 VanDerWaalsContact C-N 3.29Å; E693-I695 PolarHBondContact O-N 2.89Å; I695-F698 PolarHBondContact O-N 2.82Å; I695-L699 HydrophobicContact CG2-CD1 4.06Å; I695-L699 HydrophobicContact CG2-CG 4.46Å; I695-L699 WeakPolarHBondContact O-CB 3.36Å; I695-L699 VanDerWaalsContact O-CG 3.31Å; I695-L699 WeakPolarHBondContact O-CG 3.43Å; I695-L699 PolarHBondContact O-N 3.05Å; I695-I717 HydrophobicContact CB-CD1 4.18Å; I695-I717 HydrophobicContact CG2-CD1 4.09Å; I695-L732 HydrophobicContact CG1-CD1 4.07Å; I695-L732 HydrophobicContact CG1-CD2 4.11Å; I695-V738 HydrophobicContact CD1-CG1 4.16Å; I695-V738 HydrophobicContact CG1-CG1 4.15Å; I695-P758 HydrophobicContact CD1-CB 4.33Å; I695-P758 HydrophobicContact CD1-CG 4.19Å
696	R	94.5	Very high	95.5	Very high	15 Å²	15	49.7 Å²	49.7	6%	0.057	23%	0.234	C	C	.	.	H	α-helix	trans	-63.7	-46.2	173.1	178.1	-176.4	-77.5	149.6	-12.4	112	T692 E693 K700 D715 I717 H718 E789	T692-R696 WeakPolarHBondContact O-CB 3.42Å; T692-R696 PolarHBondContact O-N 2.8Å; E693-R696 WeakPolarHBondContact O-CB 3.31Å; E693-R696 PolarHBondContact O-N 2.67Å; E693-R696 WeakPolarHBondContact OE1-CD 3.3Å; E693-R696 WeakPolarHBondContact OE2-CD 3.35Å; E693-R696 IonicContact OE2-CZ 2.67Å; E693-R696 IonicContact OE2-NE 3.4Å; E693-R696 IonicContact OE2-NH1 3.18Å; E693-R696 PolarHBondContact OE2-NH1 2.82Å; R696-K700 WeakPolarHBondContact O-CB 3.42Å; R696-K700 WeakPolarHBondContact O-CG 3.13Å; R696-K700 PolarHBondContact O-N 3.03Å; R696-D715 IonicContact CZ-OD2 2.73Å; R696-D715 IonicContact NE-OD1 3.13Å; R696-D715 IonicContact NE-OD2 2.88Å; R696-D715 PolarHBondContact NE-OD2 3.29Å; R696-D715 IonicContact NH2-OD1 3.72Å; R696-D715 IonicContact NH2-OD2 2.79Å; R696-D715 PolarHBondContact NH2-OD2 2.92Å; R696-I717 HydrophobicContact CB-CD1 4.03Å; R696-H718 PolarHBondContact NH2-NE2 2.63Å; R696-E789 IonicContact CZ-OE1 2.7Å; R696-E789 VanDerWaalsContact CZ-OE1 3.28Å; R696-E789 IonicContact NH1-OE1 3.49Å; R696-E789 PolarHBondContact NH1-OE1 3.49Å; R696-E789 IonicContact NH2-OE1 2.88Å; R696-E789 PolarHBondContact NH2-OE1 3.43Å
697	E	95.1	Very high	95	Very high	99 Å²	99	52.9 Å²	52.9	46%	0.463	27%	0.268	S	S	.	.	H	α-helix	trans	-59.2	-48.9	172.2	-74.2	177.1	164.3	0	0	111.8	E693 K700 K701 Y736	E693-E697 WeakPolarHBondContact O-CG 3.48Å; E693-E697 PolarHBondContact O-N 3.05Å; E697-K700 PolarHBondContact O-N 2.97Å; E697-K701 PolarHBondContact O-N 3.34Å; E697-Y736 HydrophobicContact CB-CE1 3.87Å
698	F	97.6	Very high	94.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-58.3	-49	177.8	170.6	-109.7	0	0	0	112.1	K694 I695 K701 V702 L724 L728 R731 L732 Y736	K694-F698 VanDerWaalsContact O-CB 3.22Å; K694-F698 WeakPolarHBondContact O-CB 3.37Å; K694-F698 PolarHBondContact O-N 3.37Å; I695-F698 PolarHBondContact O-N 2.82Å; F698-K701 WeakPolarHBondContact O-CB 3.36Å; F698-K701 PolarHBondContact O-N 3.29Å; F698-V702 HydrophobicContact CD2-CG2 4.06Å; F698-V702 HydrophobicContact CE1-CG2 4.13Å; F698-V702 HydrophobicContact CE2-CG2 3.61Å; F698-V702 HydrophobicContact CG-CG2 4.5Å; F698-V702 HydrophobicContact CZ-CG2 3.66Å; F698-V702 WeakPolarHBondContact O-CG2 3.35Å; F698-V702 PolarHBondContact O-N 3Å; F698-L724 HydrophobicContact CE1-CD2 4.07Å; F698-L728 HydrophobicContact CE1-CB 4.32Å; F698-L728 HydrophobicContact CE1-CD2 4.41Å; F698-L728 HydrophobicContact CZ-CB 4.35Å; F698-L728 HydrophobicContact CZ-CD2 4.04Å; F698-L728 WeakPolarHBondContact CZ-O 3.49Å; F698-R731 HydrophobicContact CE2-CB 4.11Å; F698-R731 HydrophobicContact CE2-CG 3.82Å; F698-R731 HydrophobicContact CZ-CB 4.13Å; F698-R731 HydrophobicContact CZ-CG 4.3Å; F698-L732 HydrophobicContact CB-CD1 4Å; F698-L732 HydrophobicContact CD1-CB 4.05Å; F698-L732 HydrophobicContact CD1-CD1 3.91Å; F698-L732 HydrophobicContact CD1-CG 4.42Å; F698-L732 HydrophobicContact CE1-CB 3.88Å; F698-L732 HydrophobicContact CE2-CB 4.47Å; F698-L732 HydrophobicContact CG-CB 4.42Å; F698-L732 HydrophobicContact CG-CD1 3.93Å; F698-L732 HydrophobicContact CZ-CB 4.1Å; F698-Y736 HydrophobicContact CB-CD2 3.94Å; F698-Y736 HydrophobicContact CB-CE2 3.68Å; F698-Y736 HydrophobicContact CD2-CD2 4.03Å; F698-Y736 AromaticContact CD2-CE2 3.76Å; F698-Y736 HydrophobicContact CD2-CE2 3.76Å; F698-Y736 HydrophobicContact CG-CD2 4.33Å; F698-Y736 HydrophobicContact CG-CE2 4.18Å
699	L	96.4	Very high	93.6	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-67.4	-36.8	-178.6	-74.2	176.3	0	0	0	112.4	L629 I695 V702 S703 P716 I717 W722 L724	L629-L699 HydrophobicContact CD2-CD1 3.77Å; I695-L699 HydrophobicContact CG2-CD1 4.06Å; I695-L699 HydrophobicContact CG2-CG 4.46Å; I695-L699 WeakPolarHBondContact O-CB 3.36Å; I695-L699 VanDerWaalsContact O-CG 3.31Å; I695-L699 WeakPolarHBondContact O-CG 3.43Å; I695-L699 PolarHBondContact O-N 3.05Å; L699-V702 PolarHBondContact O-N 3.27Å; L699-S703 WeakPolarHBondContact O-CB 3.31Å; L699-S703 PolarHBondContact O-N 3.28Å; L699-P716 HydrophobicContact CB-CB 3.75Å; L699-P716 HydrophobicContact CB-CG 3.52Å; L699-P716 HydrophobicContact CD1-CB 4.02Å; L699-P716 HydrophobicContact CD1-CG 4.23Å; L699-I717 HydrophobicContact CD1-CG1 4.43Å; L699-W722 HydrophobicContact CD1-CB 4.07Å; L699-W722 HydrophobicContact CD1-CG 4.1Å; L699-W722 HydrophobicContact CD2-CB 4.07Å; L699-W722 HydrophobicContact CD2-CD2 3.67Å; L699-W722 HydrophobicContact CD2-CE3 3.8Å; L699-W722 HydrophobicContact CD2-CG 3.77Å; L699-W722 HydrophobicContact CG-CG 4.43Å; L699-L724 HydrophobicContact CD2-CD2 3.79Å
700	K	93	Very high	92.9	Very high	70 Å²	70	64.7 Å²	64.7	30%	0.304	32%	0.322	S	S	.	.	H	α-helix	trans	-61.8	-46	172.9	-73.8	-179.1	177.9	-165.7	0	111.4	R696 E697 V702 S703 E704 H714 P716	R696-K700 WeakPolarHBondContact O-CB 3.42Å; R696-K700 WeakPolarHBondContact O-CG 3.13Å; R696-K700 PolarHBondContact O-N 3.03Å; E697-K700 PolarHBondContact O-N 2.97Å; K700-V702 PolarHBondContact O-N 3.25Å; K700-S703 WeakPolarHBondContact O-CB 3.2Å; K700-S703 PolarHBondContact O-N 3.25Å; K700-E704 WeakPolarHBondContact O-CG 3.31Å; K700-E704 PolarHBondContact O-N 2.89Å; K700-H714 WeakPolarHBondContact CE-O 3.28Å; K700-H714 PolarHBondContact NZ-O 3.25Å; K700-P716 HydrophobicContact CG-CG 4.19Å
701	K	94.7	Very high	92	Very high	67 Å²	67	60.4 Å²	60.4	29%	0.291	31%	0.312	S	S	.	.	H	α-helix	trans	-58.8	-46.7	173.6	177.1	-174.5	172.1	-171.8	0	112.7	E697 F698 S703 E704 E705 E735	E697-K701 PolarHBondContact O-N 3.34Å; F698-K701 WeakPolarHBondContact O-CB 3.36Å; F698-K701 PolarHBondContact O-N 3.29Å; K701-S703 VanDerWaalsContact C-N 3.29Å; K701-S703 PolarHBondContact O-N 3.18Å; K701-E704 PolarHBondContact O-N 3Å; K701-E705 WeakPolarHBondContact CE-OE1 3.41Å; K701-E705 WeakPolarHBondContact O-CG 3.32Å; K701-E705 PolarHBondContact O-N 2.76Å; K701-E735 VanDerWaalsContact NZ-CD 3.28Å; K701-E735 IonicContact NZ-OE1 3.31Å; K701-E735 PolarHBondContact NZ-OE1 2.85Å; K701-E735 IonicContact NZ-OE2 2.67Å; K701-E735 PolarHBondContact NZ-OE2 3.3Å
702	V	95.6	Very high	90.8	Very high	3 Å²	3	65 Å²	65	2%	0.018	35%	0.353	C	S	.	.	H	α-helix	trans	-63.5	-36.6	178	171.8	0	0	0	0	111.5	F698 L699 K700 E705 Q706 W722 L728	F698-V702 HydrophobicContact CD2-CG2 4.06Å; F698-V702 HydrophobicContact CE1-CG2 4.13Å; F698-V702 HydrophobicContact CE2-CG2 3.61Å; F698-V702 HydrophobicContact CG-CG2 4.5Å; F698-V702 HydrophobicContact CZ-CG2 3.66Å; F698-V702 WeakPolarHBondContact O-CG2 3.35Å; F698-V702 PolarHBondContact O-N 3Å; L699-V702 PolarHBondContact O-N 3.27Å; K700-V702 PolarHBondContact O-N 3.25Å; V702-E705 PolarHBondContact O-N 2.94Å; V702-Q706 WeakPolarHBondContact O-CG 3.38Å; V702-Q706 PolarHBondContact O-N 2.86Å; V702-W722 HydrophobicContact CG1-CH2 3.77Å; V702-W722 HydrophobicContact CG1-CZ3 3.77Å; V702-L728 HydrophobicContact CG1-CD2 3.93Å; V702-L728 HydrophobicContact CG2-CD2 4.25Å
703	S	92.7	Very high	89.6	Confident	0 Å²	0	70.3 Å²	70.3	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-68.4	-42.8	177.6	-169.5	0	0	0	0	112.1	L699 K700 K701 Q706 G707 Q708 N710	L699-S703 WeakPolarHBondContact O-CB 3.31Å; L699-S703 PolarHBondContact O-N 3.28Å; K700-S703 WeakPolarHBondContact O-CB 3.2Å; K700-S703 PolarHBondContact O-N 3.25Å; K701-S703 VanDerWaalsContact C-N 3.29Å; K701-S703 PolarHBondContact O-N 3.18Å; S703-Q706 PolarHBondContact O-N 3.37Å; S703-G707 PolarHBondContact O-N 3.29Å; S703-Q708 PolarHBondContact O-N 2.91Å; S703-Q708 VanDerWaalsContact O-N 3.09Å; S703-Q708 WeakPolarHBondContact OG-CB 3.48Å; S703-Q708 PolarHBondContact OG-OE1 2.72Å; S703-N710 PolarHBondContact OG-ND2 3.09Å
704	E	91.6	Very high	89	Confident	145 Å²	145	66.6 Å²	66.6	68%	0.678	36%	0.363	S	S	*	.	H	α-helix	trans	-59.5	-45.5	170.8	-72.7	173.1	-164.4	0	0	111.9	K700 K701 Q706 G707	K700-E704 WeakPolarHBondContact O-CG 3.31Å; K700-E704 PolarHBondContact O-N 2.89Å; K701-E704 PolarHBondContact O-N 3Å; E704-Q706 PolarHBondContact O-N 3.44Å; E704-G707 PolarHBondContact O-N 3.13Å
705	E	94.6	Very high	88.3	Confident	110 Å²	110	63.8 Å²	63.8	51%	0.514	35%	0.352	S	S	.	.	H	α-helix	trans	-64.1	-26.5	176.7	-73.5	173	-176	0	0	113.3	K701 V702 G707 R731	K701-E705 WeakPolarHBondContact CE-OE1 3.41Å; K701-E705 WeakPolarHBondContact O-CG 3.32Å; K701-E705 PolarHBondContact O-N 2.76Å; V702-E705 PolarHBondContact O-N 2.94Å; E705-G707 VanDerWaalsContact C-N 3.32Å; E705-R731 VanDerWaalsContact CD-NH2 3.3Å; E705-R731 IonicContact OE1-CZ 3.87Å; E705-R731 IonicContact OE1-NH1 3.22Å; E705-R731 IonicContact OE1-NH2 3.04Å; E705-R731 PolarHBondContact OE1-NH2 2.96Å; E705-R731 IonicContact OE2-CZ 3.91Å; E705-R731 IonicContact OE2-NH1 2.78Å; E705-R731 PolarHBondContact OE2-NH1 3.45Å; E705-R731 IonicContact OE2-NH2 3.36Å; E705-R731 PolarHBondContact OE2-NH2 2.82Å
706	Q	92.7	Very high	87.9	Confident	111 Å²	111	63.8 Å²	63.8	52%	0.519	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-1.4	172.8	-71.8	-179.2	22.6	0	0	113.5	V702 S703 E704 Q708	V702-Q706 WeakPolarHBondContact O-CG 3.38Å; V702-Q706 PolarHBondContact O-N 2.86Å; S703-Q706 PolarHBondContact O-N 3.37Å; E704-Q706 PolarHBondContact O-N 3.44Å; Q706-Q708 HydrophobicContact CB-CG 4.19Å
707	G	90	Very high	87.7	Confident	68 Å²	68	63 Å²	63	70%	0.701	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	26.2	-180	0	0	0	0	0	114.2	S703 E704 E705	S703-G707 PolarHBondContact O-N 3.29Å; E704-G707 PolarHBondContact O-N 3.13Å; E705-G707 VanDerWaalsContact C-N 3.32Å
708	Q	85.5	Confident	87.1	Confident	77 Å²	77	58.6 Å²	58.6	36%	0.36	33%	0.328	S	S	.	.			trans	-80.7	120.2	177.2	-62.3	176.3	0.1	0	0	110.2	S703 Q706 N710	S703-Q708 PolarHBondContact O-N 2.91Å; S703-Q708 VanDerWaalsContact O-N 3.09Å; S703-Q708 WeakPolarHBondContact OG-CB 3.48Å; S703-Q708 PolarHBondContact OG-OE1 2.72Å; Q706-Q708 HydrophobicContact CB-CG 4.19Å; Q708-N710 PolarHBondContact O-N 2.78Å
709	D	80.9	Confident	86.4	Confident	165 Å²	165	62.1 Å²	62.1	88%	0.882	35%	0.347	S	S	*	.			trans	-83.9	92.8	179.1	-171.5	18.7	0	0	0	110.6
710	N	79.8	Confident	86.1	Confident	55 Å²	55	65.5 Å²	65.5	29%	0.294	36%	0.363	S	S	.	.			trans	-93.3	143.9	-175.7	-68.9	-46.7	0	0	0	113.1	S703 Q708 H714	S703-N710 PolarHBondContact OG-ND2 3.09Å; Q708-N710 PolarHBondContact O-N 2.78Å; N710-H714 HydrophobicContact CB-CB 3.93Å; N710-H714 VanDerWaalsContact CG-CD2 3.42Å
711	P	76.9	Confident	85.9	Confident	84 Å²	84	65.1 Å²	65.1	55%	0.545	37%	0.369	S	S	.	.			trans	-53.7	147.6	163.9	-24.8	34.5	0	0	0	112.7	D713 H714	P711-D713 WeakPolarHBondContact CB-OD1 3.14Å; P711-D713 PolarHBondContact O-N 3.17Å; P711-D713 VanDerWaalsContact O-N 3.11Å; P711-H714 WeakPolarHBondContact O-CB 3.38Å; P711-H714 PolarHBondContact O-N 3.04Å
712	A	71.1	Confident	85.8	Confident	113 Å²	113	63 Å²	63	93%	0.934	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.4	179.7	0	0	0	0	0	113.9
713	D	70.4	Confident	85.9	Confident	124 Å²	124	63.7 Å²	63.7	66%	0.663	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	4.8	175	54.8	-36.3	0	0	0	114	P711	P711-D713 WeakPolarHBondContact CB-OD1 3.14Å; P711-D713 PolarHBondContact O-N 3.17Å; P711-D713 VanDerWaalsContact O-N 3.11Å
714	H	79.7	Confident	86.2	Confident	19 Å²	19	63.7 Å²	63.7	9%	0.088	36%	0.362	C	S	.	.			trans	-58.8	138.4	175.4	173.4	50.4	0	0	0	112.3	K700 N710 P711 D719	K700-H714 WeakPolarHBondContact CE-O 3.28Å; K700-H714 PolarHBondContact NZ-O 3.25Å; N710-H714 HydrophobicContact CB-CB 3.93Å; N710-H714 VanDerWaalsContact CG-CD2 3.42Å; P711-H714 WeakPolarHBondContact O-CB 3.38Å; P711-H714 PolarHBondContact O-N 3.04Å; H714-D719 IonicContact CE1-OD2 2.75Å; H714-D719 PolarHBondContact CE1-OD2 2.97Å; H714-D719 IonicContact CG-OD2 2.71Å; H714-D719 IonicContact ND1-OD2 3.93Å; H714-D719 PolarHBondContact ND1-OD2 2.98Å
715	D	84.6	Confident	86.4	Confident	14 Å²	14	58.9 Å²	58.9	8%	0.075	34%	0.34	C	S	.	.			trans	-132	109.8	170.5	-170.9	-44.5	0	0	0	110.7	R696 I717 H718 D719	R696-D715 IonicContact CZ-OD2 2.73Å; R696-D715 IonicContact NE-OD1 3.13Å; R696-D715 IonicContact NE-OD2 2.88Å; R696-D715 PolarHBondContact NE-OD2 3.29Å; R696-D715 IonicContact NH2-OD1 3.72Å; R696-D715 IonicContact NH2-OD2 2.79Å; R696-D715 PolarHBondContact NH2-OD2 2.92Å; D715-I717 PolarHBondContact O-N 2.9Å; D715-I717 VanDerWaalsContact O-N 3.1Å; D715-I717 PolarHBondContact OD1-N 2.99Å; D715-H718 HydrophobicContact CB-CB 4.09Å; D715-H718 VanDerWaalsContact CG-CD2 3.45Å; D715-H718 PolarHBondContact O-N 3.21Å; D715-H718 IonicContact OD1-CD2 2.78Å; D715-H718 PolarHBondContact OD1-N 3.21Å; D715-H718 IonicContact OD2-CD2 3.84Å; D715-H718 PolarHBondContact OD2-CD2 2.9Å; D715-H718 VanDerWaalsContact OD2-CD2 3.23Å; D715-H718 IonicContact OD2-NE2 2.95Å; D715-D719 PolarHBondContact N-OD2 3.46Å; D715-D719 VanDerWaalsContact O-CB 3.28Å; D715-D719 WeakPolarHBondContact O-CB 3.44Å; D715-D719 VanDerWaalsContact O-CG 3.3Å; D715-D719 PolarHBondContact O-N 3.3Å
716	P	88.5	Confident	86.5	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-12.7	-174.1	27.5	-35.5	0	0	0	114.8	L699 K700 W722	L699-P716 HydrophobicContact CB-CB 3.75Å; L699-P716 HydrophobicContact CB-CG 3.52Å; L699-P716 HydrophobicContact CD1-CB 4.02Å; L699-P716 HydrophobicContact CD1-CG 4.23Å; K700-P716 HydrophobicContact CG-CG 4.19Å; P716-W722 VanDerWaalsContact CB-CD1 3.41Å; P716-W722 HydrophobicContact CB-CG 4.47Å
717	I	89.9	Confident	86.7	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-40.6	176.4	-54.8	179.5	0	0	0	110.4	L629 L631 T692 I695 R696 L699 D715	L629-I717 HydrophobicContact CD2-CG1 4.37Å; L631-I717 HydrophobicContact CD2-CG2 3.98Å; L631-I717 HydrophobicContact CG-CG2 4.09Å; T692-I717 HydrophobicContact CG2-CD1 3.78Å; I695-I717 HydrophobicContact CB-CD1 4.18Å; I695-I717 HydrophobicContact CG2-CD1 4.09Å; R696-I717 HydrophobicContact CB-CD1 4.03Å; L699-I717 HydrophobicContact CD1-CG1 4.43Å; D715-I717 PolarHBondContact O-N 2.9Å; D715-I717 VanDerWaalsContact O-N 3.1Å; D715-I717 PolarHBondContact OD1-N 2.99Å
718	H	83.8	Confident	87	Confident	5 Å²	5	55.5 Å²	55.5	2%	0.023	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-40.4	176.3	-68.9	-55.5	0	0	0	112.1	R696 D715 Q720 E789 F790 L793 H797	R696-H718 PolarHBondContact NH2-NE2 2.63Å; D715-H718 HydrophobicContact CB-CB 4.09Å; D715-H718 VanDerWaalsContact CG-CD2 3.45Å; D715-H718 PolarHBondContact O-N 3.21Å; D715-H718 IonicContact OD1-CD2 2.78Å; D715-H718 PolarHBondContact OD1-N 3.21Å; D715-H718 IonicContact OD2-CD2 3.84Å; D715-H718 PolarHBondContact OD2-CD2 2.9Å; D715-H718 VanDerWaalsContact OD2-CD2 3.23Å; D715-H718 IonicContact OD2-NE2 2.95Å; H718-Q720 VanDerWaalsContact O-CG 3.27Å; H718-Q720 WeakPolarHBondContact O-CG 3.23Å; H718-Q720 PolarHBondContact O-N 3.28Å; H718-Q720 VanDerWaalsContact O-N 3.08Å; H718-E789 IonicContact NE2-OE1 3.45Å; H718-F790 AromaticContact CE1-CE1 3.67Å; H718-F790 AromaticContact CE1-CE2 3.62Å; H718-F790 AromaticContact CE1-CZ 3.38Å; H718-F790 WeakPolarHBondContact CE1-CZ 3.18Å; H718-F790 AromaticContact ND1-CE1 3.36Å; H718-F790 WeakPolarHBondContact ND1-CE1 3.19Å; H718-F790 AromaticContact ND1-CZ 3.36Å; H718-F790 WeakPolarHBondContact ND1-CZ 3.22Å; H718-L793 HydrophobicContact CB-CD1 3.84Å; H718-L793 HydrophobicContact CB-CD2 4.25Å; H718-L793 VanDerWaalsContact CD2-CD2 3.49Å; H718-L793 WeakPolarHBondContact CD2-CD2 3.44Å; H718-H797 PolarHBondContact O-NE2 2.87Å
719	D	83	Confident	87.6	Confident	75 Å²	75	52.8 Å²	52.8	40%	0.401	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-1.3	178.7	-63.5	-32.1	0	0	0	113.4	H714 D715 S721	H714-D719 IonicContact CE1-OD2 2.75Å; H714-D719 PolarHBondContact CE1-OD2 2.97Å; H714-D719 IonicContact CG-OD2 2.71Å; H714-D719 IonicContact ND1-OD2 3.93Å; H714-D719 PolarHBondContact ND1-OD2 2.98Å; D715-D719 PolarHBondContact N-OD2 3.46Å; D715-D719 VanDerWaalsContact O-CB 3.28Å; D715-D719 WeakPolarHBondContact O-CB 3.44Å; D715-D719 VanDerWaalsContact O-CG 3.3Å; D715-D719 PolarHBondContact O-N 3.3Å; D719-S721 PolarHBondContact O-N 2.78Å
720	Q	89.2	Confident	88.5	Confident	71 Å²	71	51.2 Å²	51.2	33%	0.332	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	30.7	176.2	-43.5	-163.4	-3.5	0	0	114.3	N628 H630 H718	N628-Q720 WeakPolarHBondContact CB-O 3.34Å; N628-Q720 PolarHBondContact ND2-O 2.88Å; H630-Q720 HydrophobicContact CB-CB 4.48Å; H630-Q720 HydrophobicContact CB-CG 3.79Å; H718-Q720 VanDerWaalsContact O-CG 3.27Å; H718-Q720 WeakPolarHBondContact O-CG 3.23Å; H718-Q720 PolarHBondContact O-N 3.28Å; H718-Q720 VanDerWaalsContact O-N 3.08Å
721	S	88.2	Confident	89.3	Confident	62 Å²	62	51.4 Å²	51.4	43%	0.434	28%	0.278	S	S	.	.			trans	-88.2	-12.4	-168.4	51.4	0	0	0	0	114.5	D719	D719-S721 PolarHBondContact O-N 2.78Å
722	W	94.4	Very high	90.4	Very high	21 Å²	21	47.5 Å²	47.5	8%	0.08	25%	0.253	C	S	.	.			trans	-114.4	145.2	-171.8	-70.4	86.4	0	0	0	114.1	N628 L629 L699 V702 P716 L728	N628-W722 VanDerWaalsContact CB-O 3.31Å; N628-W722 WeakPolarHBondContact CB-O 3.4Å; L629-W722 WeakPolarHBondContact CB-O 3.42Å; L629-W722 PolarHBondContact N-O 3.27Å; L699-W722 HydrophobicContact CD1-CB 4.07Å; L699-W722 HydrophobicContact CD1-CG 4.1Å; L699-W722 HydrophobicContact CD2-CB 4.07Å; L699-W722 HydrophobicContact CD2-CD2 3.67Å; L699-W722 HydrophobicContact CD2-CE3 3.8Å; L699-W722 HydrophobicContact CD2-CG 3.77Å; L699-W722 HydrophobicContact CG-CG 4.43Å; V702-W722 HydrophobicContact CG1-CH2 3.77Å; V702-W722 HydrophobicContact CG1-CZ3 3.77Å; P716-W722 VanDerWaalsContact CB-CD1 3.41Å; P716-W722 HydrophobicContact CB-CG 4.47Å; W722-L728 HydrophobicContact CE3-CD1 4.24Å; W722-L728 HydrophobicContact CZ3-CD1 4.33Å
723	Y	96.9	Very high	91.7	Very high	18 Å²	18	48.2 Å²	48.2	7%	0.071	23%	0.232	C	C	.	.			trans	-122.7	127.1	161.1	176.7	-96.2	0	0	0	108.7	K623 G625 H685 D725 Q760 H762	K623-Y723 VanDerWaalsContact O-CD1 3.24Å; K623-Y723 WeakPolarHBondContact O-CD1 3.21Å; G625-Y723 VanDerWaalsContact CA-CD2 3.42Å; H685-Y723 PolarHBondContact NE2-OH 2.87Å; Y723-D725 PolarHBondContact O-N 2.8Å; Y723-D725 VanDerWaalsContact O-N 3.12Å; Y723-Q760 HydrophobicContact CD2-CB 4.02Å; Y723-Q760 HydrophobicContact CD2-CG 4.03Å; Y723-Q760 HydrophobicContact CE2-CB 4.23Å; Y723-Q760 HydrophobicContact CE2-CG 3.86Å; Y723-H762 HydrophobicContact CE2-CB 4.08Å; Y723-H762 WeakPolarHBondContact OH-CB 3.16Å
724	L	97.7	Very high	93	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.231	C	C	.	.			trans	-80.6	93.3	179.9	-59	174	0	0	0	109.6	L629 Y687 F698 L699 L728 R729 L732 Q760	L629-L724 HydrophobicContact CD1-CD1 4.22Å; L629-L724 HydrophobicContact CD2-CD1 3.99Å; L629-L724 HydrophobicContact CD2-CG 4.27Å; Y687-L724 HydrophobicContact CE2-CD1 3.72Å; Y687-L724 WeakPolarHBondContact OH-CD1 3.2Å; F698-L724 HydrophobicContact CE1-CD2 4.07Å; L699-L724 HydrophobicContact CD2-CD2 3.79Å; L724-L728 HydrophobicContact CB-CB 4.41Å; L724-L728 HydrophobicContact CD2-CB 3.99Å; L724-L728 HydrophobicContact CD2-CD1 4.37Å; L724-R729 HydrophobicContact CB-CG 3.71Å; L724-R729 WeakPolarHBondContact O-CG 3.42Å; L724-R729 PolarHBondContact O-NH1 2.8Å; L724-L732 HydrophobicContact CD1-CD2 3.93Å; L724-Q760 VanDerWaalsContact CB-OE1 3.31Å; L724-Q760 PolarHBondContact O-NE2 2.98Å
725	D	96.3	Very high	93.9	Very high	44 Å²	44	51.7 Å²	51.7	24%	0.235	24%	0.244	C	C	.	.			trans	-65.4	176.3	170.6	83.1	10.4	0	0	0	112.3	K623 Y723 S727 L728 R729	K623-D725 HydrophobicContact CB-CB 4.35Å; Y723-D725 PolarHBondContact O-N 2.8Å; Y723-D725 VanDerWaalsContact O-N 3.12Å; D725-S727 PolarHBondContact O-N 2.97Å; D725-S727 WeakPolarHBondContact OD1-CA 3.24Å; D725-S727 VanDerWaalsContact OD1-CB 3.31Å; D725-S727 WeakPolarHBondContact OD1-CB 3.41Å; D725-S727 PolarHBondContact OD1-N 2.7Å; D725-S727 PolarHBondContact OD1-OG 3.38Å; D725-L728 PolarHBondContact O-N 2.72Å; D725-L728 PolarHBondContact OD1-N 3.07Å; D725-R729 VanDerWaalsContact C-NH1 3.34Å; D725-R729 WeakPolarHBondContact O-CG 3.4Å; D725-R729 PolarHBondContact O-N 3.3Å
726	R	96.1	Very high	94.5	Very high	126 Å²	126	53.8 Å²	53.8	48%	0.475	25%	0.252	S	S	.	.	H	α-helix	trans	-59.4	-31.5	-177.9	-167.2	-178.5	-174	-164.2	10.3	113.5	D662 K730	D662-R726 WeakPolarHBondContact O-CD 3.37Å; D662-R726 WeakPolarHBondContact O-CG 3.25Å; D662-R726 IonicContact OD1-CZ 3.17Å; D662-R726 IonicContact OD1-NE 3.61Å; D662-R726 IonicContact OD1-NH1 2.63Å; D662-R726 PolarHBondContact OD1-NH1 2.73Å; D662-R726 IonicContact OD1-NH2 3.89Å; R726-K730 VanDerWaalsContact O-CB 3.28Å; R726-K730 WeakPolarHBondContact O-CB 3.23Å; R726-K730 PolarHBondContact O-N 2.94Å
727	S	96.9	Very high	95	Very high	74 Å²	74	56.3 Å²	56.3	52%	0.517	28%	0.278	S	S	.	.	H	α-helix	trans	-72.6	-44.7	176.9	80.5	0	0	0	0	111.1	D725 R731	D725-S727 PolarHBondContact O-N 2.97Å; D725-S727 WeakPolarHBondContact OD1-CA 3.24Å; D725-S727 VanDerWaalsContact OD1-CB 3.31Å; D725-S727 WeakPolarHBondContact OD1-CB 3.41Å; D725-S727 PolarHBondContact OD1-N 2.7Å; D725-S727 PolarHBondContact OD1-OG 3.38Å; S727-R731 VanDerWaalsContact O-CB 3.31Å; S727-R731 WeakPolarHBondContact O-CB 3.41Å; S727-R731 PolarHBondContact O-N 3.38Å
728	L	97.8	Very high	95.4	Very high	18 Å²	18	56.5 Å²	56.5	9%	0.094	28%	0.279	C	S	.	.	H	α-helix	trans	-68.4	-42.7	-179.9	-66.1	179.1	0	0	0	111.9	F698 V702 W722 L724 D725 R731 L732	F698-L728 HydrophobicContact CE1-CB 4.32Å; F698-L728 HydrophobicContact CE1-CD2 4.41Å; F698-L728 HydrophobicContact CZ-CB 4.35Å; F698-L728 HydrophobicContact CZ-CD2 4.04Å; F698-L728 WeakPolarHBondContact CZ-O 3.49Å; V702-L728 HydrophobicContact CG1-CD2 3.93Å; V702-L728 HydrophobicContact CG2-CD2 4.25Å; W722-L728 HydrophobicContact CE3-CD1 4.24Å; W722-L728 HydrophobicContact CZ3-CD1 4.33Å; L724-L728 HydrophobicContact CB-CB 4.41Å; L724-L728 HydrophobicContact CD2-CB 3.99Å; L724-L728 HydrophobicContact CD2-CD1 4.37Å; D725-L728 PolarHBondContact O-N 2.72Å; D725-L728 PolarHBondContact OD1-N 3.07Å; L728-R731 PolarHBondContact O-N 3.12Å; L728-L732 VanDerWaalsContact O-CB 3.24Å; L728-L732 WeakPolarHBondContact O-CB 3.3Å; L728-L732 PolarHBondContact O-N 3.29Å
729	R	98.4	Very high	96	Very high	20 Å²	20	61 Å²	61	8%	0.075	30%	0.3	C	S	.	.	H	α-helix	trans	-61.6	-45.8	175.5	-66	-167	-48.5	-88.3	3.8	112.2	D662 D664 H685 Y687 L724 D725 R731 L732 Y733	D662-R729 PolarHBondContact O-NH2 3.42Å; D664-R729 IonicContact OD2-CZ 2.95Å; D664-R729 IonicContact OD2-NE 2.65Å; D664-R729 PolarHBondContact OD2-NE 2.86Å; D664-R729 VanDerWaalsContact OD2-NE 3.14Å; D664-R729 IonicContact OD2-NH2 2.81Å; D664-R729 PolarHBondContact OD2-NH2 2.85Å; H685-R729 VanDerWaalsContact CD2-CD 3.42Å; H685-R729 WeakPolarHBondContact CD2-CD 3.48Å; H685-R729 PolarHBondContact NE2-NH1 3Å; Y687-R729 WeakPolarHBondContact OH-CD 3.4Å; Y687-R729 WeakPolarHBondContact OH-CG 3.22Å; L724-R729 HydrophobicContact CB-CG 3.71Å; L724-R729 WeakPolarHBondContact O-CG 3.42Å; L724-R729 PolarHBondContact O-NH1 2.8Å; D725-R729 VanDerWaalsContact C-NH1 3.34Å; D725-R729 WeakPolarHBondContact O-CG 3.4Å; D725-R729 PolarHBondContact O-N 3.3Å; R729-R731 VanDerWaalsContact C-N 3.32Å; R729-R731 PolarHBondContact O-N 2.92Å; R729-L732 PolarHBondContact O-N 2.88Å; R729-Y733 PolarHBondContact O-N 2.7Å
730	K	98.1	Very high	96.6	Very high	132 Å²	132	58.2 Å²	58.2	57%	0.574	29%	0.289	S	S	*	.	H	α-helix	trans	-60.2	-43.7	176.7	-177.7	179	177.9	-179.2	0	111.3	R726 Y733 Q734	R726-K730 VanDerWaalsContact O-CB 3.28Å; R726-K730 WeakPolarHBondContact O-CB 3.23Å; R726-K730 PolarHBondContact O-N 2.94Å; K730-Y733 PolarHBondContact O-N 3.41Å; K730-Q734 WeakPolarHBondContact O-CB 3.36Å; K730-Q734 VanDerWaalsContact O-CG 3.28Å; K730-Q734 WeakPolarHBondContact O-CG 3.3Å; K730-Q734 PolarHBondContact O-N 2.88Å
731	R	98.4	Very high	97.1	Very high	60 Å²	60	55.9 Å²	55.9	23%	0.226	28%	0.277	C	S	.	.	H	α-helix	trans	-68	-43.1	179.3	-169.6	-177.9	174.1	-168.8	-2.4	112.5	F698 E705 S727 L728 R729 Y733 Q734 E735	F698-R731 HydrophobicContact CE2-CB 4.11Å; F698-R731 HydrophobicContact CE2-CG 3.82Å; F698-R731 HydrophobicContact CZ-CB 4.13Å; F698-R731 HydrophobicContact CZ-CG 4.3Å; E705-R731 VanDerWaalsContact CD-NH2 3.3Å; E705-R731 IonicContact OE1-CZ 3.87Å; E705-R731 IonicContact OE1-NH1 3.22Å; E705-R731 IonicContact OE1-NH2 3.04Å; E705-R731 PolarHBondContact OE1-NH2 2.96Å; E705-R731 IonicContact OE2-CZ 3.91Å; E705-R731 IonicContact OE2-NH1 2.78Å; E705-R731 PolarHBondContact OE2-NH1 3.45Å; E705-R731 IonicContact OE2-NH2 3.36Å; E705-R731 PolarHBondContact OE2-NH2 2.82Å; S727-R731 VanDerWaalsContact O-CB 3.31Å; S727-R731 WeakPolarHBondContact O-CB 3.41Å; S727-R731 PolarHBondContact O-N 3.38Å; L728-R731 PolarHBondContact O-N 3.12Å; R729-R731 VanDerWaalsContact C-N 3.32Å; R729-R731 PolarHBondContact O-N 2.92Å; R731-Y733 VanDerWaalsContact C-N 3.3Å; R731-Y733 PolarHBondContact O-N 2.91Å; R731-Q734 PolarHBondContact O-N 2.89Å; R731-Q734 VanDerWaalsContact O-N 3.13Å; R731-E735 HydrophobicContact CG-CG 4.2Å; R731-E735 IonicContact CZ-OE1 2.69Å; R731-E735 IonicContact NE-OE1 3.22Å; R731-E735 PolarHBondContact NE-OE1 2.83Å; R731-E735 IonicContact NE-OE2 3.77Å; R731-E735 IonicContact NH2-OE1 3.41Å; R731-E735 PolarHBondContact NH2-OE1 3Å; R731-E735 IonicContact NH2-OE2 3.38Å; R731-E735 WeakPolarHBondContact O-CB 3.43Å; R731-E735 PolarHBondContact O-N 3.37Å
732	L	98.6	Very high	97.6	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-56.3	-43.3	173.9	171.6	62.5	0	0	0	111.6	Y687 I695 F698 L724 L728 R729 Y736 V738	Y687-L732 HydrophobicContact CE1-CD2 3.97Å; I695-L732 HydrophobicContact CG1-CD1 4.07Å; I695-L732 HydrophobicContact CG1-CD2 4.11Å; F698-L732 HydrophobicContact CB-CD1 4Å; F698-L732 HydrophobicContact CD1-CB 4.05Å; F698-L732 HydrophobicContact CD1-CD1 3.91Å; F698-L732 HydrophobicContact CD1-CG 4.42Å; F698-L732 HydrophobicContact CE1-CB 3.88Å; F698-L732 HydrophobicContact CE2-CB 4.47Å; F698-L732 HydrophobicContact CG-CB 4.42Å; F698-L732 HydrophobicContact CG-CD1 3.93Å; F698-L732 HydrophobicContact CZ-CB 4.1Å; L724-L732 HydrophobicContact CD1-CD2 3.93Å; L728-L732 VanDerWaalsContact O-CB 3.24Å; L728-L732 WeakPolarHBondContact O-CB 3.3Å; L728-L732 PolarHBondContact O-N 3.29Å; R729-L732 PolarHBondContact O-N 2.88Å; L732-Y736 WeakPolarHBondContact O-CB 3.5Å; L732-Y736 PolarHBondContact O-N 3.37Å; L732-V738 HydrophobicContact CD1-CB 3.94Å; L732-V738 HydrophobicContact CD1-CG1 4.36Å; L732-V738 HydrophobicContact CD1-CG2 4.24Å; L732-V738 HydrophobicContact CD2-CB 4.45Å; L732-V738 HydrophobicContact CD2-CG1 4.18Å; L732-V738 HydrophobicContact CG-CB 3.94Å; L732-V738 HydrophobicContact CG-CG1 4.22Å
733	Y	98.3	Very high	97.8	Very high	129 Å²	129	52.6 Å²	52.6	51%	0.506	26%	0.257	S	S	.	.	H	α-helix	trans	-65.2	-44.9	173.4	179.3	-106.2	0	0	0	112.3	R729 K730 R731 G737 V738 Q739	R729-Y733 PolarHBondContact O-N 2.7Å; K730-Y733 PolarHBondContact O-N 3.41Å; R731-Y733 VanDerWaalsContact C-N 3.3Å; R731-Y733 PolarHBondContact O-N 2.91Å; Y733-G737 VanDerWaalsContact O-CA 3.23Å; Y733-G737 WeakPolarHBondContact O-CA 3.46Å; Y733-G737 PolarHBondContact O-N 2.88Å; Y733-V738 WeakPolarHBondContact CA-O 3.36Å; Y733-Q739 HydrophobicContact CD2-CB 3.86Å; Y733-Q739 HydrophobicContact CD2-CG 4.32Å; Y733-Q739 HydrophobicContact CE2-CB 4.01Å; Y733-Q739 HydrophobicContact CE2-CG 4.39Å
734	Q	98.4	Very high	97.8	Very high	136 Å²	136	51.8 Å²	51.8	64%	0.636	25%	0.254	S	S	*	.	H	α-helix	trans	-69.1	-37	-177.6	-74.4	179	-46.2	0	0	114.2	K730 R731	K730-Q734 WeakPolarHBondContact O-CB 3.36Å; K730-Q734 VanDerWaalsContact O-CG 3.28Å; K730-Q734 WeakPolarHBondContact O-CG 3.3Å; K730-Q734 PolarHBondContact O-N 2.88Å; R731-Q734 PolarHBondContact O-N 2.89Å; R731-Q734 VanDerWaalsContact O-N 3.13Å
735	E	98.3	Very high	97.9	Very high	80 Å²	80	51.8 Å²	51.8	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-91.3	-36.5	-177	-68.2	-171.9	-175.4	0	0	113.4	K701 R731	K701-E735 VanDerWaalsContact NZ-CD 3.28Å; K701-E735 IonicContact NZ-OE1 3.31Å; K701-E735 PolarHBondContact NZ-OE1 2.85Å; K701-E735 IonicContact NZ-OE2 2.67Å; K701-E735 PolarHBondContact NZ-OE2 3.3Å; R731-E735 HydrophobicContact CG-CG 4.2Å; R731-E735 IonicContact CZ-OE1 2.69Å; R731-E735 IonicContact NE-OE1 3.22Å; R731-E735 PolarHBondContact NE-OE1 2.83Å; R731-E735 IonicContact NE-OE2 3.77Å; R731-E735 IonicContact NH2-OE1 3.41Å; R731-E735 PolarHBondContact NH2-OE1 3Å; R731-E735 IonicContact NH2-OE2 3.38Å; R731-E735 WeakPolarHBondContact O-CB 3.43Å; R731-E735 PolarHBondContact O-N 3.37Å
736	Y	98.2	Very high	98	Very high	57 Å²	57	49.8 Å²	49.8	22%	0.224	24%	0.243	C	C	.	.	H	α-helix	trans	-117.1	-2.6	-172.1	-67.1	-100.9	0	0	0	114.2	K694 E697 F698 L732 V738	K694-Y736 HydrophobicContact CB-CD1 3.85Å; K694-Y736 HydrophobicContact CB-CG 4.38Å; K694-Y736 HydrophobicContact CG-CD1 4.38Å; E697-Y736 HydrophobicContact CB-CE1 3.87Å; F698-Y736 HydrophobicContact CB-CD2 3.94Å; F698-Y736 HydrophobicContact CB-CE2 3.68Å; F698-Y736 HydrophobicContact CD2-CD2 4.03Å; F698-Y736 AromaticContact CD2-CE2 3.76Å; F698-Y736 HydrophobicContact CD2-CE2 3.76Å; F698-Y736 HydrophobicContact CG-CD2 4.33Å; F698-Y736 HydrophobicContact CG-CE2 4.18Å; L732-Y736 WeakPolarHBondContact O-CB 3.5Å; L732-Y736 PolarHBondContact O-N 3.37Å; Y736-V738 PolarHBondContact O-N 3.06Å
737	G	97.9	Very high	98.1	Very high	54 Å²	54	45.7 Å²	45.7	56%	0.557	23%	0.231	S	C	*	.			trans	66.1	20	-178.4	0	0	0	0	0	114	Y733	Y733-G737 VanDerWaalsContact O-CA 3.23Å; Y733-G737 WeakPolarHBondContact O-CA 3.46Å; Y733-G737 PolarHBondContact O-N 2.88Å
738	V	98.4	Very high	98.1	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.018	21%	0.206	C	C	.	.			trans	-90.3	118.8	-176.8	176	0	0	0	0	109.8	Y687 D691 K694 I695 L732 Y733 Y736	Y687-V738 HydrophobicContact CD1-CG1 3.9Å; D691-V738 HydrophobicContact CB-CG1 4.04Å; D691-V738 HydrophobicContact CB-CG2 3.98Å; K694-V738 HydrophobicContact CB-CG2 3.91Å; K694-V738 HydrophobicContact CD-CG2 3.38Å; K694-V738 HydrophobicContact CG-CG2 4.36Å; I695-V738 HydrophobicContact CD1-CG1 4.16Å; I695-V738 HydrophobicContact CG1-CG1 4.15Å; L732-V738 HydrophobicContact CD1-CB 3.94Å; L732-V738 HydrophobicContact CD1-CG1 4.36Å; L732-V738 HydrophobicContact CD1-CG2 4.24Å; L732-V738 HydrophobicContact CD2-CB 4.45Å; L732-V738 HydrophobicContact CD2-CG1 4.18Å; L732-V738 HydrophobicContact CG-CB 3.94Å; L732-V738 HydrophobicContact CG-CG1 4.22Å; Y733-V738 WeakPolarHBondContact CA-O 3.36Å; Y736-V738 PolarHBondContact O-N 3.06Å
739	Q	95.9	Very high	98.2	Very high	101 Å²	101	41.3 Å²	41.3	47%	0.472	20%	0.202	S	C	.	.			trans	-118	128.5	175.1	-165.7	-174.4	11.1	0	0	109.5	Y733	Y733-Q739 HydrophobicContact CD2-CB 3.86Å; Y733-Q739 HydrophobicContact CD2-CG 4.32Å; Y733-Q739 HydrophobicContact CE2-CB 4.01Å; Y733-Q739 HydrophobicContact CE2-CG 4.39Å
740	G	96.6	Very high	98.2	Very high	15 Å²	15	40.4 Å²	40.4	16%	0.155	20%	0.198	C	C	.	.			trans	-92.4	-168.8	174.8	0	0	0	0	0	113.8	R458 I686	R458-G740 PolarHBondContact NH1-O 3.22Å; R458-G740 PolarHBondContact NH2-O 2.59Å; I686-G740 CarbonylContact O-C 3.57Å; I686-G740 WeakPolarHBondContact O-CA 3.44Å
741	W	98.6	Very high	98.2	Very high	23 Å²	23	34.1 Å²	34.1	9%	0.087	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.9	164	-63.4	-98.6	0	0	0	108.6	R458 Q482 P483 H685 I686 A688 I743	R458-W741 PolarHBondContact O-NE1 3.14Å; Q482-W741 HydrophobicContact CB-CZ2 4.24Å; Q482-W741 HydrophobicContact CG-CH2 4.45Å; Q482-W741 HydrophobicContact CG-CZ2 4.01Å; P483-W741 HydrophobicContact CG-CB 4.28Å; P483-W741 HydrophobicContact CG-CD2 3.59Å; P483-W741 HydrophobicContact CG-CE3 3.75Å; P483-W741 HydrophobicContact CG-CG 3.83Å; P483-W741 HydrophobicContact CG-CZ3 4.31Å; H685-W741 WeakPolarHBondContact CA-O 3.43Å; I686-W741 PolarHBondContact N-O 3.29Å; I686-W741 PolarHBondContact O-N 3.14Å; A688-W741 HydrophobicContact CB-CH2 4.26Å; A688-W741 HydrophobicContact CB-CZ3 4.16Å; W741-I743 HydrophobicContact CB-CD1 4.04Å; W741-I743 HydrophobicContact CB-CG1 3.94Å
742	A	98.4	Very high	98.2	Very high	10 Å²	10	31.3 Å²	31.3	8%	0.083	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	119.4	166.5	0	0	0	0	0	108.1	C455 G663 W684	C455-A742 PolarHBondContact SG-O 3.02Å; G663-A742 WeakPolarHBondContact O-CB 3.38Å; W684-A742 WeakPolarHBondContact O-CA 3.36Å
743	I	98.6	Very high	98.2	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.015	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	118.5	-172.2	-43.9	-178.9	0	0	0	109.1	L459 P483 M485 W684 I686 W741	L459-I743 HydrophobicContact CD1-CD1 3.91Å; L459-I743 HydrophobicContact CD2-CB 4.49Å; L459-I743 HydrophobicContact CD2-CD1 3.82Å; L459-I743 HydrophobicContact CD2-CG1 3.94Å; L459-I743 HydrophobicContact CD2-CG2 3.86Å; P483-I743 HydrophobicContact CB-CD1 4.45Å; P483-I743 HydrophobicContact CG-CD1 4.37Å; M485-I743 HydrophobicContact SD-CG2 3.97Å; W684-I743 HydrophobicContact CB-CB 4.31Å; W684-I743 PolarHBondContact N-O 2.8Å; W684-I743 PolarHBondContact O-N 3.13Å; I686-I743 HydrophobicContact CD1-CD1 3.93Å; I686-I743 HydrophobicContact CG1-CD1 4.47Å; W741-I743 HydrophobicContact CB-CD1 4.04Å; W741-I743 HydrophobicContact CB-CG1 3.94Å
744	V	98.6	Very high	98.2	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	114.4	166.9	-177.2	0	0	0	0	108.1	I660 T669 P680 L683 F746 L764	I660-V744 HydrophobicContact CD1-CG1 4.43Å; I660-V744 HydrophobicContact CD1-CG2 4.37Å; I660-V744 HydrophobicContact CG1-CG2 3.94Å; I660-V744 HydrophobicContact CG2-CG2 4.01Å; T669-V744 HydrophobicContact CG2-CB 3.66Å; T669-V744 HydrophobicContact CG2-CG2 3.61Å; P680-V744 HydrophobicContact CB-CG1 3.64Å; L683-V744 HydrophobicContact CD1-CG2 4.13Å; V744-F746 HydrophobicContact CB-CD2 4.43Å; V744-F746 HydrophobicContact CB-CE2 3.8Å; V744-F746 HydrophobicContact CB-CZ 4.34Å; V744-F746 HydrophobicContact CG1-CD2 4.05Å; V744-F746 HydrophobicContact CG1-CE1 4.48Å; V744-F746 HydrophobicContact CG1-CE2 3.58Å; V744-F746 HydrophobicContact CG1-CZ 3.83Å; V744-F746 VanDerWaalsContact O-CD2 3.27Å; V744-F746 WeakPolarHBondContact O-CD2 3.26Å; V744-F746 WeakPolarHBondContact O-CE2 3.09Å; V744-L764 HydrophobicContact CG1-CD1 4Å
745	Q	98.7	Very high	98.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	112	176.4	-175.1	-173.4	25.1	0	0	108.9	N638 M640 G681 A682 D749 V751	N638-Q745 PolarHBondContact O-NE2 3.12Å; N638-Q745 VanDerWaalsContact O-NE2 3.07Å; N638-Q745 PolarHBondContact OD1-NE2 3.48Å; M640-Q745 HydrophobicContact CB-CG 3.93Å; M640-Q745 HydrophobicContact CE-CB 4.3Å; M640-Q745 HydrophobicContact CE-CG 3.99Å; G681-Q745 WeakPolarHBondContact CA-O 3.47Å; G681-Q745 PolarHBondContact N-O 2.98Å; A682-Q745 PolarHBondContact N-O 3.39Å; A682-Q745 PolarHBondContact O-N 3.33Å; Q745-D749 HydrophobicContact CG-CB 3.93Å; Q745-D749 PolarHBondContact NE2-O 2.9Å; Q745-D749 VanDerWaalsContact NE2-O 3.11Å; Q745-V751 HydrophobicContact CB-CG2 4.14Å; Q745-V751 HydrophobicContact CG-CG2 3.89Å
746	F	98.7	Very high	97.8	Very high	1 Å²	1	15.5 Å²	15.5	0%	0.004	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	171.8	176.6	-64.8	-103.7	0	0	0	111.4	M640 T669 R672 F673 E678 K679 P680 V744 G748 D749	M640-F746 WeakPolarHBondContact CB-O 3.44Å; M640-F746 WeakPolarHBondContact CG-O 3.42Å; T669-F746 HydrophobicContact CG2-CE2 4.42Å; R672-F746 HydrophobicContact CB-CE1 4.17Å; R672-F746 HydrophobicContact CB-CE2 4.04Å; R672-F746 HydrophobicContact CB-CZ 3.7Å; R672-F746 VanDerWaalsContact CZ-CD2 3.43Å; R672-F746 VanDerWaalsContact NH1-CD2 3.28Å; F673-F746 HydrophobicContact CB-CE1 3.93Å; F673-F746 HydrophobicContact CB-CZ 4.06Å; E678-F746 HydrophobicContact CB-CB 4.5Å; E678-F746 HydrophobicContact CB-CD1 3.39Å; E678-F746 HydrophobicContact CB-CE1 3.83Å; E678-F746 HydrophobicContact CB-CG 4.16Å; K679-F746 VanDerWaalsContact C-CD1 3.47Å; K679-F746 CarbonylContact O-C 3.54Å; K679-F746 VanDerWaalsContact O-CA 3.26Å; K679-F746 WeakPolarHBondContact O-CA 3.27Å; K679-F746 WeakPolarHBondContact O-CB 3.21Å; K679-F746 WeakPolarHBondContact O-CD1 3.32Å; P680-F746 HydrophobicContact CB-CD1 4.01Å; P680-F746 HydrophobicContact CB-CE1 3.8Å; P680-F746 HydrophobicContact CB-CZ 4.33Å; P680-F746 HydrophobicContact CG-CE1 4.48Å; V744-F746 HydrophobicContact CB-CD2 4.43Å; V744-F746 HydrophobicContact CB-CE2 3.8Å; V744-F746 HydrophobicContact CB-CZ 4.34Å; V744-F746 HydrophobicContact CG1-CD2 4.05Å; V744-F746 HydrophobicContact CG1-CE1 4.48Å; V744-F746 HydrophobicContact CG1-CE2 3.58Å; V744-F746 HydrophobicContact CG1-CZ 3.83Å; V744-F746 VanDerWaalsContact O-CD2 3.27Å; V744-F746 WeakPolarHBondContact O-CD2 3.26Å; V744-F746 WeakPolarHBondContact O-CE2 3.09Å; F746-G748 PolarHBondContact O-N 3.45Å; F746-D749 WeakPolarHBondContact CB-OD2 3.37Å; F746-D749 PolarHBondContact N-OD2 3.44Å; F746-D749 WeakPolarHBondContact O-CB 3.21Å; F746-D749 PolarHBondContact O-N 2.84Å
747	L	98.4	Very high	97.8	Very high	40 Å²	40	12.9 Å²	12.9	21%	0.209	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	122.2	175.1	179.2	61.3	0	0	0	111.5	H490 V641 V643 K679 D749	H490-L747 HydrophobicContact CB-CD1 4.41Å; H490-L747 HydrophobicContact CB-CG 4.14Å; H490-L747 PolarHBondContact CE1-O 2.81Å; H490-L747 PolarHBondContact ND1-O 3.28Å; V641-L747 WeakPolarHBondContact O-CD1 3.36Å; V643-L747 HydrophobicContact CG2-CB 4.08Å; V643-L747 HydrophobicContact CG2-CD1 4.33Å; K679-L747 HydrophobicContact CB-CB 4.29Å; K679-L747 HydrophobicContact CD-CD2 4.39Å; K679-L747 PolarHBondContact O-N 3.16Å; L747-D749 VanDerWaalsContact C-N 3.29Å; L747-D749 PolarHBondContact O-N 2.74Å
748	G	97.8	Very high	97.8	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.1	8.9	-177.9	0	0	0	0	0	115.9	G488 V489 M640 F746	G488-G748 PolarHBondContact N-O 3.26Å; G488-G748 VanDerWaalsContact N-O 3.12Å; V489-G748 PolarHBondContact N-O 2.88Å; M640-G748 VanDerWaalsContact O-CA 3.3Å; M640-G748 WeakPolarHBondContact O-CA 3.46Å; M640-G748 PolarHBondContact O-N 2.83Å; F746-G748 PolarHBondContact O-N 3.45Å
749	D	98.6	Very high	97.8	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	6%	0.057	C	C	.	.			trans	-76.8	132.3	164.1	-72.2	-14.9	0	0	0	109.9	M485 S487 M640 R672 Q745 F746 L747	M485-D749 HydrophobicContact CG-CB 4.23Å; M485-D749 HydrophobicContact SD-CB 4.02Å; S487-D749 WeakPolarHBondContact CA-OD1 3.42Å; S487-D749 VanDerWaalsContact CB-OD1 3.26Å; S487-D749 WeakPolarHBondContact CB-OD1 3.19Å; M640-D749 PolarHBondContact N-O 3.38Å; R672-D749 IonicContact CZ-OD1 3.94Å; R672-D749 IonicContact CZ-OD2 3.81Å; R672-D749 VanDerWaalsContact CZ-OD2 3.32Å; R672-D749 IonicContact NH1-OD1 3.13Å; R672-D749 IonicContact NH1-OD2 2.69Å; R672-D749 PolarHBondContact NH1-OD2 2.83Å; R672-D749 IonicContact NH2-OD1 2.75Å; R672-D749 PolarHBondContact NH2-OD1 2.94Å; R672-D749 IonicContact NH2-OD2 3.78Å; R672-D749 PolarHBondContact NH2-OD2 3.3Å; Q745-D749 HydrophobicContact CG-CB 3.93Å; Q745-D749 PolarHBondContact NE2-O 2.9Å; Q745-D749 VanDerWaalsContact NE2-O 3.11Å; F746-D749 WeakPolarHBondContact CB-OD2 3.37Å; F746-D749 PolarHBondContact N-OD2 3.44Å; F746-D749 WeakPolarHBondContact O-CB 3.21Å; F746-D749 PolarHBondContact O-N 2.84Å; L747-D749 VanDerWaalsContact C-N 3.29Å; L747-D749 PolarHBondContact O-N 2.74Å
750	V	98.6	Very high	97.9	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.035	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	120	173	-172.5	0	0	0	0	109.1	M485 V486 V489 P580 A637 N638 V639 F752	M485-V750 CarbonylContact C-O 3.38Å; M485-V750 VanDerWaalsContact CA-O 3.3Å; M485-V750 WeakPolarHBondContact CA-O 3.49Å; V486-V750 HydrophobicContact CB-CB 4.37Å; V486-V750 PolarHBondContact N-O 3.49Å; V486-V750 PolarHBondContact O-N 3.09Å; V489-V750 HydrophobicContact CB-CG2 4.05Å; V489-V750 HydrophobicContact CG1-CG2 4.49Å; V489-V750 HydrophobicContact CG2-CG2 3.58Å; P580-V750 HydrophobicContact CG-CB 4.02Å; P580-V750 HydrophobicContact CG-CG1 4.1Å; P580-V750 HydrophobicContact CG-CG2 3.81Å; A637-V750 HydrophobicContact CB-CG1 4.2Å; N638-V750 CarbonylContact O-C 3.58Å; N638-V750 VanDerWaalsContact O-CA 3.25Å; N638-V750 WeakPolarHBondContact O-CA 3.45Å; V639-V750 HydrophobicContact CB-CG2 4.22Å; V639-V750 HydrophobicContact CG1-CG2 4.05Å; V639-V750 HydrophobicContact CG2-CB 4.5Å; V639-V750 HydrophobicContact CG2-CG1 3.99Å; V639-V750 HydrophobicContact CG2-CG2 3.8Å; V750-F752 HydrophobicContact CB-CE2 4.16Å; V750-F752 HydrophobicContact CG1-CD2 4.02Å; V750-F752 HydrophobicContact CG1-CE2 3.55Å; V750-F752 HydrophobicContact CG1-CZ 4.24Å
751	V	98.8	Very high	98	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.006	3%	0.029	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	124.2	176	-177.7	0	0	0	0	108.5	N638 I686 Q745 I753	N638-V751 PolarHBondContact N-O 3.09Å; N638-V751 PolarHBondContact O-N 2.89Å; I686-V751 HydrophobicContact CD1-CG1 3.78Å; Q745-V751 HydrophobicContact CB-CG2 4.14Å; Q745-V751 HydrophobicContact CG-CG2 3.89Å; V751-I753 HydrophobicContact CG1-CD1 4.23Å; V751-I753 HydrophobicContact CG1-CG1 4.28Å; V751-I753 WeakPolarHBondContact O-CD1 3.29Å
752	F	98.8	Very high	98	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	3%	0.025	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.9	175.1	-75.7	-105.5	0	0	0	109.7	F474 W478 P483 V484 V486 P580 L581 T585 A636 A637 V750 F774	F474-F752 HydrophobicContact CE2-CB 4.26Å; F474-F752 AromaticContact CE2-CD1 3.85Å; F474-F752 HydrophobicContact CE2-CD1 3.85Å; F474-F752 HydrophobicContact CE2-CE1 4.42Å; F474-F752 HydrophobicContact CE2-CG 4.07Å; F474-F752 HydrophobicContact CZ-CD1 4.1Å; W478-F752 HydrophobicContact CH2-CB 3.93Å; W478-F752 HydrophobicContact CZ3-CB 3.68Å; P483-F752 VanDerWaalsContact CA-O 3.28Å; P483-F752 WeakPolarHBondContact CA-O 3.13Å; P483-F752 WeakPolarHBondContact CB-O 3.49Å; V484-F752 HydrophobicContact CB-CB 4.37Å; V484-F752 PolarHBondContact N-O 2.79Å; V484-F752 WeakPolarHBondContact O-CB 3.49Å; V484-F752 PolarHBondContact O-N 3.09Å; V486-F752 HydrophobicContact CB-CE2 4.49Å; V486-F752 HydrophobicContact CG2-CD2 4.16Å; V486-F752 HydrophobicContact CG2-CE2 3.64Å; P580-F752 HydrophobicContact CG-CE2 4.06Å; P580-F752 HydrophobicContact CG-CZ 4.1Å; L581-F752 HydrophobicContact CB-CE1 4.29Å; L581-F752 HydrophobicContact CB-CZ 4.15Å; L581-F752 HydrophobicContact CD1-CD1 4.46Å; L581-F752 HydrophobicContact CD1-CE1 3.89Å; L581-F752 HydrophobicContact CD1-CE2 4.19Å; L581-F752 HydrophobicContact CD1-CZ 3.75Å; L581-F752 HydrophobicContact CG-CZ 4.38Å; T585-F752 HydrophobicContact CG2-CE1 3.56Å; T585-F752 HydrophobicContact CG2-CZ 3.91Å; A636-F752 CarbonylContact O-C 3.48Å; A636-F752 WeakPolarHBondContact O-CA 3.49Å; A637-F752 HydrophobicContact CB-CD1 4.02Å; A637-F752 HydrophobicContact CB-CE1 3.76Å; A637-F752 HydrophobicContact CB-CE2 4.44Å; A637-F752 HydrophobicContact CB-CG 4.48Å; A637-F752 HydrophobicContact CB-CZ 3.97Å; V750-F752 HydrophobicContact CB-CE2 4.16Å; V750-F752 HydrophobicContact CG1-CD2 4.02Å; V750-F752 HydrophobicContact CG1-CE2 3.55Å; V750-F752 HydrophobicContact CG1-CZ 4.24Å; F752-F774 HydrophobicContact CD1-CE1 4.08Å; F752-F774 AromaticContact CD1-CZ 3.93Å; F752-F774 HydrophobicContact CD1-CZ 3.93Å; F752-F774 HydrophobicContact CE1-CE1 4.26Å; F752-F774 HydrophobicContact CE1-CZ 4.27Å
753	I	98.6	Very high	98	Very high	8 Å²	8	3.8 Å²	3.8	4%	0.041	2%	0.021	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	118.4	-176.6	-53.2	94.1	0	0	0	109.4	A636 N638 W684 I686 V751 A757	A636-I753 HydrophobicContact CB-CD1 4.32Å; A636-I753 PolarHBondContact N-O 2.75Å; A636-I753 PolarHBondContact O-N 2.71Å; N638-I753 HydrophobicContact CB-CD1 4.06Å; W684-I753 HydrophobicContact CH2-CD1 4.38Å; W684-I753 HydrophobicContact CZ3-CD1 4.13Å; W684-I753 HydrophobicContact CZ3-CG1 4.27Å; I686-I753 HydrophobicContact CD1-CG1 4.13Å; V751-I753 HydrophobicContact CG1-CD1 4.23Å; V751-I753 HydrophobicContact CG1-CG1 4.28Å; V751-I753 WeakPolarHBondContact O-CD1 3.29Å; I753-A757 HydrophobicContact CG2-CB 4.09Å
754	P	98.1	Very high	97.9	Very high	4 Å²	4	3.7 Å²	3.7	3%	0.026	2%	0.02	C	C	.	.			trans	-63.3	142.6	174.7	-26.2	36.2	0	0	0	113.3	W478 G756 A757	W478-P754 HydrophobicContact CE3-CG 4.3Å; W478-P754 HydrophobicContact CH2-CB 4.39Å; W478-P754 HydrophobicContact CH2-CG 4.01Å; W478-P754 HydrophobicContact CZ3-CG 3.78Å; P754-G756 PolarHBondContact O-N 2.75Å; P754-A757 HydrophobicContact CB-CB 4.26Å; P754-A757 WeakPolarHBondContact O-CB 3.38Å; P754-A757 PolarHBondContact O-N 2.72Å
755	A	95	Very high	97.8	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	127.3	174.9	0	0	0	0	0	112.4	S634 D635 H779	S634-A755 VanDerWaalsContact C-CB 3.49Å; S634-A755 VanDerWaalsContact O-CA 3.28Å; S634-A755 WeakPolarHBondContact O-CA 3.31Å; S634-A755 WeakPolarHBondContact O-CB 3.23Å; D635-A755 PolarHBondContact OD1-N 2.85Å; A755-H779 HydrophobicContact CB-CB 4.04Å
756	G	92.6	Very high	97.7	Very high	3 Å²	3	3.8 Å²	3.8	3%	0.031	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	3.1	-177.1	0	0	0	0	0	116.3	D632 A689 P754 P758 L786	D632-G756 PolarHBondContact O-N 2.81Å; A689-G756 WeakPolarHBondContact CA-O 3.38Å; A689-G756 VanDerWaalsContact CB-C 3.49Å; A689-G756 VanDerWaalsContact CB-O 3.29Å; A689-G756 WeakPolarHBondContact CB-O 3.4Å; P754-G756 PolarHBondContact O-N 2.75Å; G756-P758 VanDerWaalsContact O-CD 3.28Å; G756-P758 WeakPolarHBondContact O-CD 3.14Å; G756-L786 VanDerWaalsContact CA-CD1 3.45Å
757	A	97.3	Very high	97.7	Very high	1 Å²	1	3.8 Å²	3.8	1%	0.008	2%	0.02	C	C	.	.			trans	-74.1	116.4	174.8	0	0	0	0	0	111	I686 Y687 I753 P754 H759	I686-A757 HydrophobicContact CG2-CB 4.19Å; Y687-A757 WeakPolarHBondContact O-CA 3.46Å; Y687-A757 WeakPolarHBondContact O-CB 3.43Å; I753-A757 HydrophobicContact CG2-CB 4.09Å; P754-A757 HydrophobicContact CB-CB 4.26Å; P754-A757 WeakPolarHBondContact O-CB 3.38Å; P754-A757 PolarHBondContact O-N 2.72Å; A757-H759 PolarHBondContact O-N 3.37Å; A757-H759 PolarHBondContact O-ND1 2.79Å
758	P	98	Very high	97.7	Very high	0 Å²	0	1.9 Å²	1.9	0%	0	1%	0.01	C	C	.	.			trans	-65.1	132.4	175.9	-19.9	33.9	0	0	0	110.3	L629 H630 L631 Y687 T692 I695 G756	L629-P758 HydrophobicContact CD1-CB 4.12Å; H630-P758 CarbonylContact O-C 3.15Å; H630-P758 VanDerWaalsContact O-CA 3.27Å; H630-P758 WeakPolarHBondContact O-CA 3.35Å; L631-P758 HydrophobicContact CD2-CG 4.34Å; Y687-P758 WeakPolarHBondContact CD2-O 3.33Å; Y687-P758 PolarHBondContact N-O 2.96Å; Y687-P758 WeakPolarHBondContact O-CD 3.4Å; T692-P758 HydrophobicContact CG2-CG 4.02Å; T692-P758 WeakPolarHBondContact OG1-CD 3.29Å; T692-P758 WeakPolarHBondContact OG1-CG 3.19Å; I695-P758 HydrophobicContact CD1-CB 4.33Å; I695-P758 HydrophobicContact CD1-CG 4.19Å; G756-P758 VanDerWaalsContact O-CD 3.28Å; G756-P758 WeakPolarHBondContact O-CD 3.14Å
759	H	98.6	Very high	97.8	Very high	9 Å²	9	2.2 Å²	2.2	4%	0.042	1%	0.012	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	155.8	-178.6	69.7	-80.9	0	0	0	113.5	L629 H630 D632 W684 H685 I686 A757	L629-H759 WeakPolarHBondContact CA-O 3.42Å; H630-H759 AromaticContact CE1-CD2 3.81Å; H630-H759 AromaticContact CE1-CE1 3.59Å; H630-H759 AromaticContact CE1-NE2 3.23Å; H630-H759 PolarHBondContact CE1-NE2 2.89Å; H630-H759 PolarHBondContact N-O 3.38Å; H630-H759 PolarHBondContact ND1-O 3.32Å; H630-H759 AromaticContact NE2-CE1 3.68Å; H630-H759 AromaticContact NE2-NE2 3.59Å; H630-H759 PolarHBondContact O-N 3.49Å; D632-H759 IonicContact OD2-CE1 3.32Å; D632-H759 PolarHBondContact OD2-CE1 3.02Å; W684-H759 AromaticContact CE3-CD2 3.95Å; W684-H759 AromaticContact CZ3-CD2 3.54Å; W684-H759 AromaticContact CZ3-NE2 4Å; H685-H759 VanDerWaalsContact O-CA 3.25Å; H685-H759 WeakPolarHBondContact O-CA 3.37Å; I686-H759 HydrophobicContact CB-CB 4.34Å; I686-H759 HydrophobicContact CG1-CB 3.95Å; I686-H759 HydrophobicContact CG2-CB 4.38Å; A757-H759 PolarHBondContact O-N 3.37Å; A757-H759 PolarHBondContact O-ND1 2.79Å
760	Q	98.4	Very high	97.7	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.012	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	155	-179.8	67.5	-173.3	33.3	0	0	110.6	L629 W684 H685 Y723 L724	L629-Q760 HydrophobicContact CB-CB 4.36Å; L629-Q760 HydrophobicContact CD1-CB 4.35Å; W684-Q760 WeakPolarHBondContact CA-O 3.48Å; H685-Q760 HydrophobicContact CB-CG 3.9Å; H685-Q760 VanDerWaalsContact CE1-CG 3.44Å; H685-Q760 WeakPolarHBondContact CE1-CG 3.49Å; H685-Q760 PolarHBondContact CE1-NE2 2.79Å; H685-Q760 PolarHBondContact N-O 2.75Å; H685-Q760 VanDerWaalsContact N-O 3.12Å; H685-Q760 PolarHBondContact ND1-NE2 3.22Å; H685-Q760 PolarHBondContact O-N 3.42Å; Y723-Q760 HydrophobicContact CD2-CB 4.02Å; Y723-Q760 HydrophobicContact CD2-CG 4.03Å; Y723-Q760 HydrophobicContact CE2-CB 4.23Å; Y723-Q760 HydrophobicContact CE2-CG 3.86Å; L724-Q760 VanDerWaalsContact CB-OE1 3.31Å; L724-Q760 PolarHBondContact O-NE2 2.98Å
761	V	98.5	Very high	97.5	Very high	5 Å²	5	2.4 Å²	2.4	3%	0.03	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	130.6	-173.7	-167.4	0	0	0	0	111.3	T626 T627 A682 W684	T626-V761 PolarHBondContact N-O 3.47Å; T627-V761 PolarHBondContact N-O 3.24Å; T627-V761 PolarHBondContact O-N 3.18Å; A682-V761 HydrophobicContact CB-CG1 3.83Å; W684-V761 HydrophobicContact CD2-CG1 4.3Å; W684-V761 HydrophobicContact CD2-CG2 3.74Å; W684-V761 HydrophobicContact CE3-CG2 3.57Å; W684-V761 HydrophobicContact CH2-CG2 3.77Å; W684-V761 HydrophobicContact CZ2-CG1 4.27Å; W684-V761 HydrophobicContact CZ2-CG2 3.93Å; W684-V761 HydrophobicContact CZ3-CG2 3.6Å
762	H	98.2	Very high	97.3	Very high	1 Å²	1	2.4 Å²	2.4	1%	0.005	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	112.6	175.7	175.2	99.6	0	0	0	109.4	L616 D621 Y624 A682 L683 Y723 L764	L616-H762 VanDerWaalsContact CB-CE1 3.44Å; L616-H762 WeakPolarHBondContact CB-CE1 3.29Å; L616-H762 PolarHBondContact O-NE2 3.29Å; D621-H762 PolarHBondContact O-CE1 3.2Å; Y624-H762 PolarHBondContact O-ND1 3.18Å; A682-H762 CarbonylContact C-O 3.5Å; A682-H762 WeakPolarHBondContact CA-O 3.38Å; L683-H762 PolarHBondContact N-O 3.4Å; L683-H762 PolarHBondContact O-N 3.33Å; Y723-H762 HydrophobicContact CE2-CB 4.08Å; Y723-H762 WeakPolarHBondContact OH-CB 3.16Å; H762-L764 PolarHBondContact O-N 3.49Å
763	N	98.4	Very high	97	Very high	0 Å²	0	2.8 Å²	2.8	0%	0	2%	0.016	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	122.1	177.8	-82.1	3.9	0	0	0	111.4	A613 Y614 L616 T626 Y765 K769	A613-N763 WeakPolarHBondContact CB-ND2 3.29Å; A613-N763 PolarHBondContact O-ND2 3.39Å; Y614-N763 VanDerWaalsContact O-CB 3.29Å; Y614-N763 WeakPolarHBondContact O-CB 3.26Å; Y614-N763 PolarHBondContact O-ND2 2.96Å; L616-N763 PolarHBondContact N-O 3.29Å; T626-N763 WeakPolarHBondContact OG1-CB 3.31Å; T626-N763 PolarHBondContact OG1-N 2.88Å; N763-Y765 WeakPolarHBondContact CB-O 3.03Å; N763-K769 PolarHBondContact OD1-NZ 2.8Å
764	L	96.8	Very high	96.8	Very high	1 Å²	1	2.4 Å²	2.4	1%	0.005	1%	0.014	C	C	.	.	S	Bend	trans	-80.5	-35.5	172.9	-59.6	166.8	0	0	0	110.9	I617 V656 T659 I660 P680 G681 L683 V744 H762	I617-L764 WeakPolarHBondContact CG1-O 3.16Å; V656-L764 HydrophobicContact CG1-CB 4.1Å; V656-L764 HydrophobicContact CG1-CD1 4.29Å; V656-L764 HydrophobicContact CG1-CD2 4.38Å; V656-L764 HydrophobicContact CG1-CG 4.49Å; V656-L764 HydrophobicContact CG2-CB 4.32Å; T659-L764 HydrophobicContact CG2-CD2 3.64Å; I660-L764 HydrophobicContact CD1-CD1 4.04Å; I660-L764 HydrophobicContact CG1-CD1 3.82Å; I660-L764 HydrophobicContact CG1-CD2 4.43Å; P680-L764 HydrophobicContact CB-CD1 4Å; G681-L764 PolarHBondContact O-N 3.27Å; L683-L764 HydrophobicContact CB-CD1 4.41Å; L683-L764 HydrophobicContact CB-CD2 4.41Å; L683-L764 HydrophobicContact CB-CG 4.43Å; V744-L764 HydrophobicContact CG1-CD1 4Å; H762-L764 PolarHBondContact O-N 3.49Å
765	Y	96.8	Very high	96.7	Very high	5 Å²	5	2.4 Å²	2.4	2%	0.02	1%	0.014	C	C	.	.	S	Bend	trans	-133.3	175	171.5	-71	-56.2	0	0	0	110.5	I617 V643 I645 Q652 V656 P680 G681 N763 C767	I617-Y765 HydrophobicContact CD1-CD1 4.01Å; I617-Y765 HydrophobicContact CD1-CE1 4.31Å; V643-Y765 HydrophobicContact CG1-CD2 4.38Å; I645-Y765 HydrophobicContact CD1-CD2 4.29Å; I645-Y765 HydrophobicContact CD1-CE2 4.18Å; I645-Y765 HydrophobicContact CG1-CD1 4.38Å; I645-Y765 HydrophobicContact CG1-CD2 3.89Å; I645-Y765 HydrophobicContact CG1-CE2 4.15Å; I645-Y765 HydrophobicContact CG1-CG 4.03Å; I645-Y765 HydrophobicContact CG2-CD1 4.27Å; I645-Y765 HydrophobicContact CG2-CE1 3.95Å; Q652-Y765 HydrophobicContact CB-CE1 4.21Å; V656-Y765 HydrophobicContact CG1-CE2 4.39Å; V656-Y765 HydrophobicContact CG2-CE1 4.04Å; V656-Y765 HydrophobicContact CG2-CE2 4.2Å; P680-Y765 HydrophobicContact CG-CD2 4.33Å; P680-Y765 HydrophobicContact CG-CE2 4.15Å; P680-Y765 WeakPolarHBondContact O-CD2 3.41Å; G681-Y765 PolarHBondContact O-N 2.95Å; N763-Y765 WeakPolarHBondContact CB-O 3.03Å; Y765-C767 PolarHBondContact O-N 2.98Å; Y765-C767 PolarHBondContact O-SG 3.28Å
766	S	97.6	Very high	96.8	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.014	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	122.4	178.6	-58.3	0	0	0	0	110.2	F535 R541 A613 G644	F535-S766 VanDerWaalsContact CE1-CB 3.45Å; F535-S766 VanDerWaalsContact CZ-C 3.44Å; F535-S766 WeakPolarHBondContact O-CB 3.39Å; F535-S766 PolarHBondContact O-OG 3.06Å; R541-S766 PolarHBondContact NH2-OG 3Å; A613-S766 CarbonylContact O-C 3.32Å; A613-S766 WeakPolarHBondContact O-CA 3.45Å; G644-S766 PolarHBondContact N-O 2.77Å; G644-S766 PolarHBondContact O-N 2.93Å; G644-S766 VanDerWaalsContact O-N 3.14Å
767	C	98.6	Very high	96.9	Very high	0 Å²	0	2.4 Å²	2.4	0%	0	1%	0.013	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	139.9	-169.1	-70.1	0	0	0	0	112.9	A613 M640 G681 Y765 K769	A613-C767 PolarHBondContact N-O 3.02Å; A613-C767 PolarHBondContact O-N 3.26Å; M640-C767 HydrophobicContact CE-CB 4.31Å; M640-C767 HydrophobicContact SD-CB 3.95Å; G681-C767 WeakPolarHBondContact CA-SG 3.32Å; G681-C767 PolarHBondContact O-SG 3.32Å; Y765-C767 PolarHBondContact O-N 2.98Å; Y765-C767 PolarHBondContact O-SG 3.28Å; C767-K769 HydrophobicContact CB-CG 4.28Å
768	I	98.6	Very high	96.9	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.018	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	117.2	162.5	-50.8	-175.2	0	0	0	106.2	W498 P500 F503 W532 F535 M610 N612 V641 Y642	W498-I768 WeakPolarHBondContact O-CD1 3.27Å; P500-I768 HydrophobicContact CG-CD1 4.24Å; F503-I768 HydrophobicContact CD2-CD1 4.05Å; F503-I768 HydrophobicContact CE2-CD1 3.81Å; F503-I768 HydrophobicContact CE2-CG2 4.3Å; W532-I768 HydrophobicContact CH2-CD1 3.48Å; W532-I768 VanDerWaalsContact CH2-CD1 3.48Å; W532-I768 HydrophobicContact CH2-CG1 3.74Å; W532-I768 HydrophobicContact CZ3-CD1 3.5Å; W532-I768 VanDerWaalsContact CZ3-CD1 3.5Å; W532-I768 HydrophobicContact CZ3-CG1 3.81Å; F535-I768 HydrophobicContact CE1-CG1 4.3Å; F535-I768 HydrophobicContact CE2-CG1 4.42Å; F535-I768 HydrophobicContact CZ-CD1 4.44Å; F535-I768 HydrophobicContact CZ-CG1 3.72Å; M610-I768 HydrophobicContact CG-CG2 4.39Å; M610-I768 HydrophobicContact SD-CG2 4.18Å; N612-I768 WeakPolarHBondContact OD1-CG2 3.45Å; V641-I768 HydrophobicContact CG2-CB 3.85Å; V641-I768 HydrophobicContact CG2-CG2 3.42Å; V641-I768 VanDerWaalsContact CG2-CG2 3.42Å; V641-I768 WeakPolarHBondContact CG2-O 3.43Å; V641-I768 PolarHBondContact N-O 3.22Å; Y642-I768 HydrophobicContact CD1-CD1 4.33Å; Y642-I768 HydrophobicContact CD1-CG1 4.47Å; Y642-I768 HydrophobicContact CG-CD1 4.24Å; Y642-I768 PolarHBondContact N-O 2.77Å; Y642-I768 PolarHBondContact O-N 3.35Å
769	K	98.2	Very high	96.7	Very high	7 Å²	7	3.7 Å²	3.7	3%	0.03	2%	0.019	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	147.2	175.4	-40.6	-173.5	-167.6	72.3	0	110.4	M610 Y611 N638 V639 M640 W684 N763 C767	M610-K769 WeakPolarHBondContact CA-O 3.43Å; M610-K769 WeakPolarHBondContact CG-O 2.96Å; Y611-K769 PolarHBondContact N-O 3.26Å; Y611-K769 PolarHBondContact O-N 2.81Å; N638-K769 WeakPolarHBondContact OD1-CD 3.32Å; V639-K769 CarbonylContact O-C 3.55Å; V639-K769 VanDerWaalsContact O-CA 3.24Å; V639-K769 WeakPolarHBondContact O-CA 3.36Å; M640-K769 HydrophobicContact CE-CD 3.94Å; M640-K769 HydrophobicContact CE-CG 4.02Å; M640-K769 HydrophobicContact SD-CG 4Å; W684-K769 HydrophobicContact CZ2-CD 4.21Å; N763-K769 PolarHBondContact OD1-NZ 2.8Å; C767-K769 HydrophobicContact CB-CG 4.28Å
770	V	96.7	Very high	96.4	Very high	1 Å²	1	3.3 Å²	3.3	1%	0.006	2%	0.017	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.7	173	-160.9	0	0	0	0	109.2	W498 F564 L575 P608 K609 M610 V639 V641	W498-V770 HydrophobicContact CE3-CG2 4.35Å; W498-V770 HydrophobicContact CH2-CG2 3.93Å; W498-V770 HydrophobicContact CZ3-CG2 3.55Å; F564-V770 HydrophobicContact CE2-CG1 4.16Å; F564-V770 HydrophobicContact CZ-CG1 4.35Å; L575-V770 HydrophobicContact CD2-CB 4.08Å; L575-V770 HydrophobicContact CD2-CG1 3.58Å; P608-V770 HydrophobicContact CB-CG1 3.75Å; K609-V770 CarbonylContact O-C 3.56Å; K609-V770 VanDerWaalsContact O-CA 3.32Å; K609-V770 WeakPolarHBondContact O-CA 3.45Å; K609-V770 WeakPolarHBondContact O-CG1 3.31Å; M610-V770 HydrophobicContact CG-CG2 4.09Å; M610-V770 HydrophobicContact SD-CG2 4.12Å; V639-V770 PolarHBondContact N-O 2.88Å; V639-V770 PolarHBondContact O-N 2.86Å; V641-V770 HydrophobicContact CG1-CG2 3.93Å; V641-V770 HydrophobicContact CG2-CG2 4Å
771	A	94.7	Very high	95.8	Very high	5 Å²	5	7.6 Å²	7.6	4%	0.041	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	136.7	174.8	0	0	0	0	0	111.5	P608 K609 Y611 A637 N638	P608-A771 CarbonylContact C-O 3.54Å; P608-A771 WeakPolarHBondContact CA-O 3.31Å; K609-A771 PolarHBondContact N-O 3.23Å; K609-A771 PolarHBondContact O-N 3.27Å; Y611-A771 HydrophobicContact CE2-CB 3.87Å; A637-A771 WeakPolarHBondContact O-CA 3.49Å; N638-A771 HydrophobicContact CB-CB 4.36Å
772	E	94.4	Very high	95.3	Very high	1 Å²	1	10.6 Å²	10.6	1%	0.005	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	128.5	163.8	-178.8	77.2	165.2	0	0	108.1	M576 I579 R587 P608 A637	M576-E772 HydrophobicContact CE-CB 4.09Å; M576-E772 HydrophobicContact CE-CG 3.89Å; M576-E772 WeakPolarHBondContact CE-OE2 3.5Å; I579-E772 HydrophobicContact CD1-CB 3.66Å; I579-E772 HydrophobicContact CD1-CG 4.3Å; R587-E772 VanDerWaalsContact CG-OE1 3.31Å; R587-E772 WeakPolarHBondContact CG-OE1 3.47Å; R587-E772 IonicContact NE-OE1 2.96Å; P608-E772 WeakPolarHBondContact CA-OE2 3.3Å; P608-E772 WeakPolarHBondContact CD-OE2 3.36Å; P608-E772 VanDerWaalsContact N-OE2 3.09Å; A637-E772 PolarHBondContact N-O 3.37Å; A637-E772 PolarHBondContact O-N 3.02Å
773	D	93.4	Very high	94.8	Very high	8 Å²	8	10.6 Å²	10.6	4%	0.043	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	147.4	172.5	-60.5	-52.5	0	0	0	110.5	L606 K609 D635	L606-D773 HydrophobicContact CB-CB 3.88Å; L606-D773 WeakPolarHBondContact CB-O 3.37Å; L606-D773 HydrophobicContact CD2-CB 3.66Å; L606-D773 HydrophobicContact CG-CB 4.34Å; L606-D773 WeakPolarHBondContact O-CB 3.36Å; L606-D773 PolarHBondContact O-N 2.89Å; K609-D773 IonicContact NZ-OD2 3.85Å; K609-D773 PolarHBondContact NZ-OD2 2.75Å; D635-D773 CarbonylContact O-C 3.55Å; D635-D773 WeakPolarHBondContact O-CA 3.39Å
774	F	94.8	Very high	94	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	173.5	173.8	63.8	-81.9	0	0	0	111.8	W478 Y584 T585 S634 D635 A637 F752	W478-F774 HydrophobicContact CH2-CZ 4.21Å; W478-F774 HydrophobicContact CZ2-CE2 4.03Å; W478-F774 AromaticContact CZ2-CZ 3.69Å; W478-F774 HydrophobicContact CZ2-CZ 3.69Å; Y584-F774 HydrophobicContact CD1-CE2 4.29Å; Y584-F774 WeakPolarHBondContact O-CB 3.48Å; Y584-F774 WeakPolarHBondContact O-CD2 3.31Å; Y584-F774 WeakPolarHBondContact O-CG 3.32Å; T585-F774 HydrophobicContact CG2-CD1 4.33Å; T585-F774 HydrophobicContact CG2-CE1 4.26Å; S634-F774 WeakPolarHBondContact CB-O 3.16Å; D635-F774 HydrophobicContact CB-CD1 4.04Å; D635-F774 HydrophobicContact CB-CD2 3.72Å; D635-F774 HydrophobicContact CB-CE1 3.84Å; D635-F774 HydrophobicContact CB-CE2 3.51Å; D635-F774 HydrophobicContact CB-CG 3.97Å; D635-F774 HydrophobicContact CB-CZ 3.57Å; D635-F774 WeakPolarHBondContact CB-O 3.18Å; D635-F774 PolarHBondContact N-O 3.39Å; D635-F774 PolarHBondContact O-N 3.07Å; A637-F774 HydrophobicContact CB-CE1 4.14Å; F752-F774 HydrophobicContact CD1-CE1 4.08Å; F752-F774 AromaticContact CD1-CZ 3.93Å; F752-F774 HydrophobicContact CD1-CZ 3.93Å; F752-F774 HydrophobicContact CE1-CE1 4.26Å; F752-F774 HydrophobicContact CE1-CZ 4.27Å
775	V	95.2	Very high	93.3	Very high	3 Å²	3	19.6 Å²	19.6	2%	0.018	9%	0.085	C	C	.	.			trans	-130.3	102.9	178.4	-177.6	0	0	0	0	108.8	N592 L593 A594 V780 V809	N592-V775 PolarHBondContact OD1-N 3.12Å; L593-V775 HydrophobicContact CB-CB 4.32Å; L593-V775 HydrophobicContact CB-CG1 4.19Å; L593-V775 WeakPolarHBondContact CB-O 3.35Å; L593-V775 HydrophobicContact CD1-CG1 4.44Å; L593-V775 WeakPolarHBondContact CG-O 3.19Å; L593-V775 PolarHBondContact N-O 2.85Å; A594-V775 HydrophobicContact CB-CG2 4.49Å; V775-V780 HydrophobicContact CG1-CB 4.02Å; V775-V780 HydrophobicContact CG1-CG2 3.75Å; V775-V809 HydrophobicContact CG1-CG1 4.43Å
776	S	96.4	Very high	92.6	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.087	C	C	.	.			trans	-82.3	149.7	179.8	65.2	0	0	0	0	113.3	W478 D635 E778 H779 V780	W478-S776 PolarHBondContact NE1-OG 2.92Å; W478-S776 VanDerWaalsContact NE1-OG 3.12Å; D635-S776 WeakPolarHBondContact OD2-CB 3.33Å; D635-S776 PolarHBondContact OD2-N 3.12Å; D635-S776 PolarHBondContact OD2-OG 3.5Å; S776-E778 PolarHBondContact O-N 3.13Å; S776-H779 PolarHBondContact O-N 2.7Å; S776-H779 PolarHBondContact OG-N 3.34Å; S776-V780 WeakPolarHBondContact O-CB 3.41Å; S776-V780 PolarHBondContact O-N 3.34Å
777	P	95.9	Very high	91.6	Very high	3 Å²	3	20.4 Å²	20.4	2%	0.019	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.9	-33.2	169.2	-25	29.4	0	0	0	113.7	Y128 I129 N132 I133 L591 L593	Y128-P777 HydrophobicContact CD1-CG 4.46Å; Y128-P777 HydrophobicContact CE1-CB 4.3Å; Y128-P777 HydrophobicContact CE1-CG 4.35Å; I129-P777 HydrophobicContact CG1-CG 4.12Å; N132-P777 HydrophobicContact CB-CB 4.02Å; I133-P777 HydrophobicContact CG2-CB 4.13Å; L591-P777 HydrophobicContact CD2-CG 4.26Å; L591-P777 WeakPolarHBondContact O-CD 3.39Å; L593-P777 HydrophobicContact CD2-CG 4.03Å; L593-P777 HydrophobicContact CG-CG 4.34Å
778	E	95.9	Very high	90.5	Very high	24 Å²	24	23 Å²	23	11%	0.112	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-45.1	179.9	-66.4	83.4	163.8	0	0	111.5	Y128 R475 K479 Y584 S776	Y128-E778 WeakPolarHBondContact CE1-OE1 3.46Å; Y128-E778 VanDerWaalsContact OH-CD 3.28Å; Y128-E778 PolarHBondContact OH-OE1 3.48Å; R475-E778 IonicContact NE-OE1 2.7Å; K479-E778 HydrophobicContact CG-CG 3.96Å; Y584-E778 PolarHBondContact OH-OE1 3.49Å; S776-E778 PolarHBondContact O-N 3.13Å
779	H	95.1	Very high	89.4	Confident	5 Å²	5	26 Å²	26	2%	0.023	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-3.3	-172.7	-59	146.2	0	0	0	116.3	W478 D635 A755 S776 K781 H782 C783	W478-H779 AromaticContact CD1-CE1 3.73Å; W478-H779 AromaticContact CD2-CE1 3.73Å; W478-H779 AromaticContact CE2-CE1 3.44Å; W478-H779 VanDerWaalsContact CE2-CE1 3.44Å; W478-H779 AromaticContact CE2-ND1 3.5Å; W478-H779 AromaticContact CG-CE1 3.93Å; W478-H779 AromaticContact CZ2-CE1 3.95Å; W478-H779 AromaticContact CZ2-ND1 3.77Å; W478-H779 AromaticContact NE1-CE1 3.4Å; W478-H779 PolarHBondContact NE1-CE1 2.79Å; W478-H779 AromaticContact NE1-ND1 3.31Å; W478-H779 PolarHBondContact NE1-ND1 2.94Å; W478-H779 PolarHBondContact O-CE1 3.38Å; W478-H779 PolarHBondContact O-NE2 3Å; D635-H779 WeakPolarHBondContact OD1-CB 3.42Å; D635-H779 IonicContact OD1-CE1 3.23Å; D635-H779 IonicContact OD1-CG 2.78Å; D635-H779 IonicContact OD1-ND1 2.64Å; D635-H779 PolarHBondContact OD1-ND1 3.47Å; D635-H779 IonicContact OD2-ND1 2.71Å; A755-H779 HydrophobicContact CB-CB 4.04Å; S776-H779 PolarHBondContact O-N 2.7Å; S776-H779 PolarHBondContact OG-N 3.34Å; H779-K781 CarbonylContact O-C 3.6Å; H779-K781 PolarHBondContact O-N 2.81Å; H779-H782 AromaticContact CD2-ND1 3.88Å; H779-H782 WeakPolarHBondContact O-CA 3.35Å; H779-H782 WeakPolarHBondContact O-CB 3.38Å; H779-H782 PolarHBondContact O-N 3.29Å; H779-C783 PolarHBondContact O-N 3.17Å; H779-C783 VanDerWaalsContact O-N 3.09Å; H779-C783 PolarHBondContact O-SG 3.43Å; H779-C783 VanDerWaalsContact O-SG 3.37Å
780	V	91.1	Very high	88.1	Confident	0 Å²	0	26 Å²	26	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-52.5	-24.9	177	73.9	0	0	0	0	113.8	I133 L593 V775 S776 F784 V806 I810	I133-V780 HydrophobicContact CB-CG1 4.25Å; I133-V780 HydrophobicContact CG2-CG1 3.61Å; L593-V780 HydrophobicContact CD1-CB 3.92Å; L593-V780 HydrophobicContact CD1-CG1 4.09Å; L593-V780 HydrophobicContact CD1-CG2 3.97Å; V775-V780 HydrophobicContact CG1-CB 4.02Å; V775-V780 HydrophobicContact CG1-CG2 3.75Å; S776-V780 WeakPolarHBondContact O-CB 3.41Å; S776-V780 PolarHBondContact O-N 3.34Å; V780-F784 WeakPolarHBondContact O-CB 3.19Å; V780-F784 PolarHBondContact O-N 2.64Å; V780-V806 HydrophobicContact CG2-CG1 3.77Å; V780-I810 HydrophobicContact CG2-CD1 4.01Å; V780-I810 HydrophobicContact CG2-CG1 3.65Å
781	K	87.3	Confident	86.7	Confident	90 Å²	90	27.8 Å²	27.8	39%	0.391	12%	0.122	S	C	.	.	H	α-helix	trans	-60.6	-53.7	168.8	-175.7	-168.5	-179.6	-166.9	0	111.6	H136 H779 C783 F784 W785	H136-K781 WeakPolarHBondContact NE2-CD 3.44Å; H136-K781 WeakPolarHBondContact NE2-CG 3.22Å; H779-K781 CarbonylContact O-C 3.6Å; H779-K781 PolarHBondContact O-N 2.81Å; K781-C783 VanDerWaalsContact C-N 3.35Å; K781-F784 WeakPolarHBondContact O-CB 3.27Å; K781-F784 PolarHBondContact O-N 2.79Å; K781-F784 VanDerWaalsContact O-N 3.14Å; K781-W785 PolarHBondContact O-N 2.69Å; K781-W785 VanDerWaalsContact O-N 3.1Å
782	H	87.6	Confident	85.3	Confident	69 Å²	69	35.2 Å²	35.2	32%	0.319	15%	0.15	S	C	.	.	H	α-helix	trans	-61.2	-44.8	178.2	-58	149.1	0	0	0	110.3	H779 F784 W785 L786	H779-H782 AromaticContact CD2-ND1 3.88Å; H779-H782 WeakPolarHBondContact O-CA 3.35Å; H779-H782 WeakPolarHBondContact O-CB 3.38Å; H779-H782 PolarHBondContact O-N 3.29Å; H782-F784 PolarHBondContact O-N 2.85Å; H782-F784 VanDerWaalsContact O-N 3.15Å; H782-W785 PolarHBondContact O-N 3.11Å; H782-L786 HydrophobicContact CB-CD1 4.41Å; H782-L786 WeakPolarHBondContact O-CB 3.37Å; H782-L786 WeakPolarHBondContact O-CD1 3.39Å; H782-L786 VanDerWaalsContact O-CG 3.24Å; H782-L786 WeakPolarHBondContact O-CG 3.3Å; H782-L786 PolarHBondContact O-N 3.22Å
783	C	87.3	Confident	83.9	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-50.6	-42.7	172.7	-50.3	0	0	0	0	112.1	V633 H779 K781 T787 L804 V806	V633-C783 VanDerWaalsContact O-CA 3.28Å; V633-C783 WeakPolarHBondContact O-CA 3.47Å; V633-C783 VanDerWaalsContact O-CB 3.28Å; V633-C783 WeakPolarHBondContact O-CB 3.46Å; V633-C783 PolarHBondContact O-SG 2.99Å; H779-C783 PolarHBondContact O-N 3.17Å; H779-C783 VanDerWaalsContact O-N 3.09Å; H779-C783 PolarHBondContact O-SG 3.43Å; H779-C783 VanDerWaalsContact O-SG 3.37Å; K781-C783 VanDerWaalsContact C-N 3.35Å; C783-T787 WeakPolarHBondContact O-CB 3.25Å; C783-T787 PolarHBondContact O-N 2.84Å; C783-T787 PolarHBondContact O-OG1 3.5Å; C783-L804 HydrophobicContact CB-CD1 4.44Å; C783-V806 HydrophobicContact CB-CG1 4.29Å; C783-V806 HydrophobicContact CB-CG2 4.16Å
784	F	82.7	Confident	82.1	Confident	49 Å²	49	38 Å²	38	22%	0.215	17%	0.169	C	C	.	.	H	α-helix	trans	-71.1	-31.6	178.5	-178.8	-106.9	0	0	0	114.6	V780 K781 H782 Q788 V806 K807	V780-F784 WeakPolarHBondContact O-CB 3.19Å; V780-F784 PolarHBondContact O-N 2.64Å; K781-F784 WeakPolarHBondContact O-CB 3.27Å; K781-F784 PolarHBondContact O-N 2.79Å; K781-F784 VanDerWaalsContact O-N 3.14Å; H782-F784 PolarHBondContact O-N 2.85Å; H782-F784 VanDerWaalsContact O-N 3.15Å; F784-Q788 VanDerWaalsContact CE1-NE2 3.27Å; F784-Q788 PolarHBondContact O-NE2 3.19Å; F784-V806 HydrophobicContact CB-CG1 3.94Å; F784-V806 HydrophobicContact CD2-CG1 4.45Å; F784-K807 HydrophobicContact CD2-CG 4.33Å; F784-K807 HydrophobicContact CE2-CD 4.33Å; F784-K807 HydrophobicContact CE2-CG 3.74Å
785	W	82.1	Confident	80.1	Confident	142 Å²	142	43 Å²	43	54%	0.538	19%	0.192	S	C	.	.	H	α-helix	trans	-75.1	-46.2	173.4	-71.9	102.8	0	0	0	111.5	K781 H782 T787 Q788 E789	K781-W785 PolarHBondContact O-N 2.69Å; K781-W785 VanDerWaalsContact O-N 3.1Å; H782-W785 PolarHBondContact O-N 3.11Å; W785-T787 VanDerWaalsContact C-N 3.34Å; W785-T787 PolarHBondContact O-N 2.81Å; W785-Q788 CarbonylContact O-C 3.6Å; W785-Q788 WeakPolarHBondContact O-CA 3.39Å; W785-Q788 WeakPolarHBondContact O-CB 3.28Å; W785-Q788 PolarHBondContact O-N 2.88Å; W785-E789 PolarHBondContact O-N 3.42Å
786	L	81.8	Confident	77.8	Confident	13 Å²	13	49 Å²	49	7%	0.068	23%	0.229	C	C	.	.	H	α-helix	trans	-59.5	-45.1	176.1	-63.2	164.6	0	0	0	110.6	L631 D632 V633 G756 H782 Q788 E789 F790	L631-L786 HydrophobicContact CD1-CD2 3.72Å; D632-L786 WeakPolarHBondContact O-CD1 3.38Å; V633-L786 HydrophobicContact CG1-CB 3.81Å; G756-L786 VanDerWaalsContact CA-CD1 3.45Å; H782-L786 HydrophobicContact CB-CD1 4.41Å; H782-L786 WeakPolarHBondContact O-CB 3.37Å; H782-L786 WeakPolarHBondContact O-CD1 3.39Å; H782-L786 VanDerWaalsContact O-CG 3.24Å; H782-L786 WeakPolarHBondContact O-CG 3.3Å; H782-L786 PolarHBondContact O-N 3.22Å; L786-Q788 PolarHBondContact O-N 3.03Å; L786-E789 PolarHBondContact O-N 3.32Å; L786-F790 HydrophobicContact CB-CD2 4.29Å; L786-F790 HydrophobicContact CB-CE2 4.37Å; L786-F790 VanDerWaalsContact O-CD2 3.31Å; L786-F790 WeakPolarHBondContact O-CD2 3.34Å; L786-F790 PolarHBondContact O-N 3.49Å
787	T	76.9	Confident	75.9	Confident	9 Å²	9	50.1 Å²	50.1	6%	0.055	23%	0.234	C	C	.	.	H	α-helix	trans	-60.9	-10	174.5	-58.3	0	0	0	0	113.3	V633 C783 W785 R791 D802 V806	V633-T787 VanDerWaalsContact CG1-OG1 3.24Å; V633-T787 WeakPolarHBondContact CG1-OG1 3.39Å; C783-T787 WeakPolarHBondContact O-CB 3.25Å; C783-T787 PolarHBondContact O-N 2.84Å; C783-T787 PolarHBondContact O-OG1 3.5Å; W785-T787 VanDerWaalsContact C-N 3.34Å; W785-T787 PolarHBondContact O-N 2.81Å; T787-R791 WeakPolarHBondContact O-CD 3.29Å; T787-R791 VanDerWaalsContact O-CG 3.25Å; T787-R791 WeakPolarHBondContact O-CG 3.21Å; T787-R791 PolarHBondContact O-NE 3.05Å; T787-D802 HydrophobicContact CG2-CB 3.76Å; T787-V806 HydrophobicContact CG2-CG2 4.36Å; T787-V806 WeakPolarHBondContact OG1-CG2 3.37Å
788	Q	75	Confident	73.7	Confident	54 Å²	54	55.1 Å²	55.1	25%	0.252	27%	0.265	S	S	.	.	H	α-helix	trans	-98.9	-41.6	167.1	-71.4	169	95.5	0	0	112.4	F784 W785 L786 F790 R791 Y792	F784-Q788 VanDerWaalsContact CE1-NE2 3.27Å; F784-Q788 PolarHBondContact O-NE2 3.19Å; W785-Q788 CarbonylContact O-C 3.6Å; W785-Q788 WeakPolarHBondContact O-CA 3.39Å; W785-Q788 WeakPolarHBondContact O-CB 3.28Å; W785-Q788 PolarHBondContact O-N 2.88Å; L786-Q788 PolarHBondContact O-N 3.03Å; Q788-F790 PolarHBondContact O-N 2.98Å; Q788-R791 VanDerWaalsContact O-CB 3.25Å; Q788-R791 WeakPolarHBondContact O-CB 3.39Å; Q788-R791 WeakPolarHBondContact O-CG 3.43Å; Q788-R791 PolarHBondContact O-N 2.76Å; Q788-R791 VanDerWaalsContact O-N 3.09Å; Q788-Y792 WeakPolarHBondContact O-CD2 3.44Å; Q788-Y792 WeakPolarHBondContact O-CE2 3.4Å
789	E	75.2	Confident	71.7	Confident	62 Å²	62	55.7 Å²	55.7	29%	0.29	27%	0.269	S	S	.	.	H	α-helix	trans	-55.8	-49	176.1	-168	169.7	-172.6	0	0	111.8	R696 H718 W785 L786 R791 Y792	R696-E789 IonicContact CZ-OE1 2.7Å; R696-E789 VanDerWaalsContact CZ-OE1 3.28Å; R696-E789 IonicContact NH1-OE1 3.49Å; R696-E789 PolarHBondContact NH1-OE1 3.49Å; R696-E789 IonicContact NH2-OE1 2.88Å; R696-E789 PolarHBondContact NH2-OE1 3.43Å; H718-E789 IonicContact NE2-OE1 3.45Å; W785-E789 PolarHBondContact O-N 3.42Å; L786-E789 PolarHBondContact O-N 3.32Å; E789-R791 PolarHBondContact O-N 2.75Å; E789-Y792 PolarHBondContact O-N 3.47Å
790	F	70.9	Confident	69.6	Low	7 Å²	7	56 Å²	56	3%	0.031	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-58.9	-17.4	176.5	-82.5	-84	0	0	0	114.2	L631 V633 H718 L786 Q788 Y792 L793 H797 N799	L631-F790 HydrophobicContact CD1-CE2 3.85Å; L631-F790 HydrophobicContact CD1-CZ 3.97Å; V633-F790 HydrophobicContact CG2-CD2 3.9Å; V633-F790 HydrophobicContact CG2-CE2 3.69Å; V633-F790 HydrophobicContact CG2-CZ 4.23Å; H718-F790 AromaticContact CE1-CE1 3.67Å; H718-F790 AromaticContact CE1-CE2 3.62Å; H718-F790 AromaticContact CE1-CZ 3.38Å; H718-F790 WeakPolarHBondContact CE1-CZ 3.18Å; H718-F790 AromaticContact ND1-CE1 3.36Å; H718-F790 WeakPolarHBondContact ND1-CE1 3.19Å; H718-F790 AromaticContact ND1-CZ 3.36Å; H718-F790 WeakPolarHBondContact ND1-CZ 3.22Å; L786-F790 HydrophobicContact CB-CD2 4.29Å; L786-F790 HydrophobicContact CB-CE2 4.37Å; L786-F790 VanDerWaalsContact O-CD2 3.31Å; L786-F790 WeakPolarHBondContact O-CD2 3.34Å; L786-F790 PolarHBondContact O-N 3.49Å; Q788-F790 PolarHBondContact O-N 2.98Å; F790-Y792 VanDerWaalsContact C-N 3.33Å; F790-L793 HydrophobicContact CB-CD1 4.42Å; F790-L793 HydrophobicContact CD1-CD1 3.47Å; F790-L793 VanDerWaalsContact CD1-CD1 3.47Å; F790-L793 HydrophobicContact CE1-CD1 3.99Å; F790-L793 HydrophobicContact CG-CD1 4.17Å; F790-H797 AromaticContact CE1-CE1 3.92Å; F790-N799 HydrophobicContact CD1-CB 3.5Å; F790-N799 VanDerWaalsContact CD1-CB 3.5Å; F790-N799 HydrophobicContact CE1-CB 3.46Å; F790-N799 VanDerWaalsContact CE1-CB 3.46Å; F790-N799 HydrophobicContact CG-CB 4.49Å; F790-N799 HydrophobicContact CZ-CB 4.4Å
791	R	67.2	Low	68.1	Low	39 Å²	39	59.4 Å²	59.4	15%	0.147	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-79.4	-14	176.5	-48.5	-177.5	179.8	-148.1	-19.4	114	T175 T787 Q788 E789 D802	T175-R791 HydrophobicContact CG2-CG 3.64Å; T175-R791 PolarHBondContact OG1-NH1 3.22Å; T175-R791 VanDerWaalsContact OG1-NH1 3.13Å; T175-R791 PolarHBondContact OG1-NH2 2.67Å; T787-R791 WeakPolarHBondContact O-CD 3.29Å; T787-R791 VanDerWaalsContact O-CG 3.25Å; T787-R791 WeakPolarHBondContact O-CG 3.21Å; T787-R791 PolarHBondContact O-NE 3.05Å; Q788-R791 VanDerWaalsContact O-CB 3.25Å; Q788-R791 WeakPolarHBondContact O-CB 3.39Å; Q788-R791 WeakPolarHBondContact O-CG 3.43Å; Q788-R791 PolarHBondContact O-N 2.76Å; Q788-R791 VanDerWaalsContact O-N 3.09Å; E789-R791 PolarHBondContact O-N 2.75Å; R791-D802 IonicContact NH2-OD2 3.8Å
792	Y	65	Low	66.8	Low	161 Å²	161	55.7 Å²	55.7	63%	0.631	27%	0.271	S	S	*	.	G	3₁₀ helix	trans	-99.2	-4.5	179.3	-62.3	-73.1	0	0	0	112.4	Q788 E789 F790	Q788-Y792 WeakPolarHBondContact O-CD2 3.44Å; Q788-Y792 WeakPolarHBondContact O-CE2 3.4Å; E789-Y792 PolarHBondContact O-N 3.47Å; F790-Y792 VanDerWaalsContact C-N 3.33Å
793	L	65.1	Low	65.9	Low	24 Å²	24	56.6 Å²	56.6	13%	0.126	27%	0.274	C	S	.	.	S	Bend	trans	-73.8	169.5	170.5	-53	-179.7	0	0	0	111.3	H718 F790 H797	H718-L793 HydrophobicContact CB-CD1 3.84Å; H718-L793 HydrophobicContact CB-CD2 4.25Å; H718-L793 VanDerWaalsContact CD2-CD2 3.49Å; H718-L793 WeakPolarHBondContact CD2-CD2 3.44Å; F790-L793 HydrophobicContact CB-CD1 4.42Å; F790-L793 HydrophobicContact CD1-CD1 3.47Å; F790-L793 VanDerWaalsContact CD1-CD1 3.47Å; F790-L793 HydrophobicContact CE1-CD1 3.99Å; F790-L793 HydrophobicContact CG-CD1 4.17Å; L793-H797 HydrophobicContact CB-CB 4.22Å
794	S	54.9	Low	65.4	Low	45 Å²	45	57.1 Å²	57.1	32%	0.315	28%	0.276	S	S	.	.			trans	-61.7	145.7	177.5	67.5	0	0	0	0	112.2	T796 H797	S794-T796 PolarHBondContact O-N 3.03Å; S794-T796 PolarHBondContact OG-OG1 2.97Å; S794-H797 WeakPolarHBondContact O-CB 3.43Å; S794-H797 PolarHBondContact O-N 3.36Å
795	Q	53.6	Low	65.6	Low	104 Å²	104	55.1 Å²	55.1	49%	0.486	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.1	176.1	-70.9	-178.1	-34	0	0	113.5	V172 F212	V172-Q795 PolarHBondContact O-NE2 2.89Å; F212-Q795 HydrophobicContact CD1-CG 4.27Å; F212-Q795 HydrophobicContact CE1-CG 3.93Å
796	T	47.1	Very low	65.9	Low	130 Å²	130	48.5 Å²	48.5	80%	0.798	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86	-7.6	173.1	39	0	0	0	0	113.8	S794	S794-T796 PolarHBondContact O-N 3.03Å; S794-T796 PolarHBondContact OG-OG1 2.97Å
797	H	55.8	Low	66.3	Low	23 Å²	23	49.8 Å²	49.8	11%	0.106	25%	0.248	C	C	.	.	S	Bend	trans	-75.3	132.5	-178.9	-167	-87	0	0	0	111.6	H718 F790 L793 S794 N799 H800	H718-H797 PolarHBondContact O-NE2 2.87Å; F790-H797 AromaticContact CE1-CE1 3.92Å; L793-H797 HydrophobicContact CB-CB 4.22Å; S794-H797 WeakPolarHBondContact O-CB 3.43Å; S794-H797 PolarHBondContact O-N 3.36Å; H797-N799 PolarHBondContact ND1-N 3.12Å; H797-N799 PolarHBondContact O-N 2.84Å; H797-H800 HydrophobicContact CB-CB 4.41Å; H797-H800 VanDerWaalsContact O-CB 3.25Å; H797-H800 WeakPolarHBondContact O-CB 3.49Å; H797-H800 PolarHBondContact O-N 2.94Å
798	T	50.2	Low	67.1	Low	107 Å²	107	49.7 Å²	49.7	66%	0.656	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.4	-173.4	51.2	0	0	0	0	114.8	K803	T798-K803 PolarHBondContact O-NZ 3.37Å
799	N	54.1	Low	67.9	Low	37 Å²	37	47.2 Å²	47.2	20%	0.198	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	15.7	176.4	-69	-19.4	0	0	0	114.1	F790 H797 E801	F790-N799 HydrophobicContact CD1-CB 3.5Å; F790-N799 VanDerWaalsContact CD1-CB 3.5Å; F790-N799 HydrophobicContact CE1-CB 3.46Å; F790-N799 VanDerWaalsContact CE1-CB 3.46Å; F790-N799 HydrophobicContact CG-CB 4.49Å; F790-N799 HydrophobicContact CZ-CB 4.4Å; H797-N799 PolarHBondContact ND1-N 3.12Å; H797-N799 PolarHBondContact O-N 2.84Å; N799-E801 VanDerWaalsContact C-N 3.28Å; N799-E801 PolarHBondContact O-N 2.95Å
800	H	51.7	Low	68.8	Low	12 Å²	12	44.5 Å²	44.5	6%	0.056	22%	0.223	C	C	.	.			trans	-61.9	-33.5	175	170.7	-97.1	0	0	0	112.7	D174 H797 D802	D174-H800 IonicContact OD2-CE1 2.86Å; D174-H800 PolarHBondContact OD2-CE1 2.96Å; D174-H800 IonicContact OD2-ND1 3.9Å; H797-H800 HydrophobicContact CB-CB 4.41Å; H797-H800 VanDerWaalsContact O-CB 3.25Å; H797-H800 WeakPolarHBondContact O-CB 3.49Å; H797-H800 PolarHBondContact O-N 2.94Å; H800-D802 PolarHBondContact O-N 2.88Å
801	E	58.1	Low	70	Confident	71 Å²	71	44.2 Å²	44.2	33%	0.332	22%	0.222	S	C	.	.	S	Bend	trans	-73.2	122.1	172.1	-162.1	-164.9	162	0	0	110.8	R167 N799 K803	R167-E801 IonicContact CZ-OE1 3.91Å; R167-E801 IonicContact NH1-OE1 3.08Å; R167-E801 PolarHBondContact NH1-OE1 3.13Å; N799-E801 VanDerWaalsContact C-N 3.28Å; N799-E801 PolarHBondContact O-N 2.95Å; E801-K803 PolarHBondContact O-N 2.87Å
802	D	61.1	Low	71.3	Confident	12 Å²	12	42.3 Å²	42.3	6%	0.064	22%	0.215	C	C	.	.			trans	-55.6	104.6	159.6	155.5	20.4	0	0	0	108.4	R167 T175 T176 T787 R791 H800 L804 Q805	R167-D802 PolarHBondContact NH1-O 2.8Å; R167-D802 PolarHBondContact NH2-O 3.35Å; R167-D802 IonicContact NH2-OD1 3.47Å; T175-D802 HydrophobicContact CG2-CB 3.57Å; T176-D802 WeakPolarHBondContact CB-OD2 3.26Å; T176-D802 PolarHBondContact N-OD2 3.31Å; T176-D802 PolarHBondContact OG1-OD2 2.92Å; T787-D802 HydrophobicContact CG2-CB 3.76Å; R791-D802 IonicContact NH2-OD2 3.8Å; H800-D802 PolarHBondContact O-N 2.88Å; D802-L804 PolarHBondContact OD1-N 2.6Å; D802-Q805 PolarHBondContact OD1-N 2.79Å
803	K	68.5	Low	72.7	Confident	88 Å²	88	34.7 Å²	34.7	38%	0.383	19%	0.185	S	C	.	.			trans	-87.9	-30.8	176.7	-70.9	165.6	-168.3	166.5	0	112.5	R167 T798 E801	R167-K803 VanDerWaalsContact NH2-C 3.31Å; R167-K803 PolarHBondContact NH2-O 2.87Å; T798-K803 PolarHBondContact O-NZ 3.37Å; E801-K803 PolarHBondContact O-N 2.87Å
804	L	77	Confident	74.1	Confident	11 Å²	11	33.5 Å²	33.5	6%	0.058	18%	0.179	C	C	.	.	S	Bend	trans	-79.1	-20.5	-168.9	-64.5	-176.4	0	0	0	116.7	P604 L606 V633 C783 D802 V806	P604-L804 HydrophobicContact CB-CD2 4.35Å; L606-L804 HydrophobicContact CD2-CD2 3.53Å; V633-L804 HydrophobicContact CB-CD1 3.79Å; V633-L804 HydrophobicContact CG1-CD1 3.74Å; C783-L804 HydrophobicContact CB-CD1 4.44Å; D802-L804 PolarHBondContact OD1-N 2.6Å; L804-V806 VanDerWaalsContact C-N 3.28Å; L804-V806 HydrophobicContact CB-CG2 3.64Å; L804-V806 HydrophobicContact CD1-CG2 4.21Å; L804-V806 PolarHBondContact O-N 3.48Å
805	Q	87	Confident	76	Confident	7 Å²	7	32.1 Å²	32.1	3%	0.033	17%	0.167	C	C	.	.			trans	54.1	38.3	-174.3	-51.7	-178.3	42.9	0	0	113.9	T176 V602 D802 K807 N808 V809	T176-Q805 HydrophobicContact CG2-CB 4.41Å; T176-Q805 HydrophobicContact CG2-CG 4.07Å; V602-Q805 PolarHBondContact O-NE2 3.14Å; D802-Q805 PolarHBondContact OD1-N 2.79Å; Q805-K807 PolarHBondContact O-N 2.98Å; Q805-N808 HydrophobicContact CB-CB 4.19Å; Q805-N808 WeakPolarHBondContact O-CA 3.21Å; Q805-N808 WeakPolarHBondContact O-CB 3.29Å; Q805-N808 PolarHBondContact O-N 3.49Å; Q805-N808 PolarHBondContact OE1-ND2 3.29Å; Q805-V809 PolarHBondContact O-N 2.77Å
806	V	88.2	Confident	77.9	Confident	3 Å²	3	29.3 Å²	29.3	2%	0.018	16%	0.155	C	C	.	.	H	α-helix	trans	-51.5	-34	-165.5	-171.5	0	0	0	0	114	V780 C783 F784 T787 L804 V809 I810	V780-V806 HydrophobicContact CG2-CG1 3.77Å; C783-V806 HydrophobicContact CB-CG1 4.29Å; C783-V806 HydrophobicContact CB-CG2 4.16Å; F784-V806 HydrophobicContact CB-CG1 3.94Å; F784-V806 HydrophobicContact CD2-CG1 4.45Å; T787-V806 HydrophobicContact CG2-CG2 4.36Å; T787-V806 WeakPolarHBondContact OG1-CG2 3.37Å; L804-V806 VanDerWaalsContact C-N 3.28Å; L804-V806 HydrophobicContact CB-CG2 3.64Å; L804-V806 HydrophobicContact CD1-CG2 4.21Å; L804-V806 PolarHBondContact O-N 3.48Å; V806-V809 PolarHBondContact O-N 3.31Å; V806-I810 HydrophobicContact CG1-CD1 3.93Å; V806-I810 HydrophobicContact CG1-CG1 4.31Å; V806-I810 VanDerWaalsContact O-CG1 3.32Å; V806-I810 WeakPolarHBondContact O-CG1 3.31Å; V806-I810 PolarHBondContact O-N 3.04Å
807	K	90.3	Very high	80.1	Confident	40 Å²	40	23.1 Å²	23.1	17%	0.174	12%	0.117	C	C	.	.	H	α-helix	trans	-62.6	-43	174.2	-71.1	-170.3	173.1	-175.7	0	113.5	M140 E144 F178 F784 Q805 Y811	M140-K807 HydrophobicContact CG-CD 4.49Å; M140-K807 HydrophobicContact SD-CB 3.62Å; M140-K807 HydrophobicContact SD-CD 4.11Å; M140-K807 HydrophobicContact SD-CG 3.72Å; E144-K807 IonicContact OE1-NZ 3.29Å; F178-K807 HydrophobicContact CB-CB 3.73Å; F178-K807 HydrophobicContact CB-CD 3.46Å; F178-K807 VanDerWaalsContact CB-CD 3.46Å; F178-K807 HydrophobicContact CB-CG 4.24Å; F178-K807 HydrophobicContact CD1-CB 4.44Å; F178-K807 HydrophobicContact CD1-CD 4.11Å; F178-K807 HydrophobicContact CD2-CB 3.59Å; F178-K807 HydrophobicContact CE2-CB 4.35Å; F178-K807 HydrophobicContact CG-CB 3.65Å; F178-K807 HydrophobicContact CG-CD 3.82Å; F178-K807 HydrophobicContact CG-CG 4.37Å; F784-K807 HydrophobicContact CD2-CG 4.33Å; F784-K807 HydrophobicContact CE2-CD 4.33Å; F784-K807 HydrophobicContact CE2-CG 3.74Å; Q805-K807 PolarHBondContact O-N 2.98Å; K807-Y811 WeakPolarHBondContact O-CB 3.37Å; K807-Y811 PolarHBondContact O-N 3.05Å
808	N	92.3	Very high	81.9	Confident	7 Å²	7	22 Å²	22	4%	0.037	11%	0.112	C	C	.	.	H	α-helix	trans	-65.3	-43.5	175	-71.1	-22.6	0	0	0	110.5	F178 L597 Q805 Y811 H812	F178-N808 VanDerWaalsContact CD2-OD1 3.31Å; F178-N808 WeakPolarHBondContact CD2-OD1 3.43Å; L597-N808 HydrophobicContact CD1-CB 3.68Å; Q805-N808 HydrophobicContact CB-CB 4.19Å; Q805-N808 WeakPolarHBondContact O-CA 3.21Å; Q805-N808 WeakPolarHBondContact O-CB 3.29Å; Q805-N808 PolarHBondContact O-N 3.49Å; Q805-N808 PolarHBondContact OE1-ND2 3.29Å; N808-Y811 PolarHBondContact O-N 3.07Å; N808-H812 PolarHBondContact O-CD2 3.21Å; N808-H812 VanDerWaalsContact O-CD2 3.25Å; N808-H812 PolarHBondContact O-N 3.41Å
809	V	92.9	Very high	84	Confident	2 Å²	2	17.1 Å²	17.1	1%	0.012	8%	0.083	C	C	.	.	H	α-helix	trans	-58.6	-49.8	177.5	174	0	0	0	0	111.2	L593 V775 Q805 V806 Y811 A813	L593-V809 HydrophobicContact CB-CG1 3.52Å; V775-V809 HydrophobicContact CG1-CG1 4.43Å; Q805-V809 PolarHBondContact O-N 2.77Å; V806-V809 PolarHBondContact O-N 3.31Å; V809-Y811 PolarHBondContact O-N 2.81Å; V809-A813 WeakPolarHBondContact O-CB 3.16Å; V809-A813 PolarHBondContact O-N 3.37Å
810	I	94.3	Very high	85.8	Confident	5 Å²	5	17.2 Å²	17.2	3%	0.026	8%	0.082	C	C	.	.	H	α-helix	trans	-60.1	-44.9	175.2	-69	168.2	0	0	0	111.2	F137 M140 V780 V806 V814	F137-I810 HydrophobicContact CB-CG2 3.82Å; F137-I810 HydrophobicContact CD2-CG2 4.34Å; M140-I810 HydrophobicContact CE-CG2 4.31Å; V780-I810 HydrophobicContact CG2-CD1 4.01Å; V780-I810 HydrophobicContact CG2-CG1 3.65Å; V806-I810 HydrophobicContact CG1-CD1 3.93Å; V806-I810 HydrophobicContact CG1-CG1 4.31Å; V806-I810 VanDerWaalsContact O-CG1 3.32Å; V806-I810 WeakPolarHBondContact O-CG1 3.31Å; V806-I810 PolarHBondContact O-N 3.04Å; I810-V814 WeakPolarHBondContact O-CG2 3.36Å; I810-V814 PolarHBondContact O-N 3.47Å
811	Y	95.4	Very high	87.7	Confident	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-59.5	-52.4	-179	-174.4	-87.5	0	0	0	112	W111 F137 M140 F178 I234 L239 K807 N808 V809 V814 K815	W111-Y811 HydrophobicContact CB-CE1 4.27Å; W111-Y811 AromaticContact CE3-CD1 3.95Å; W111-Y811 HydrophobicContact CE3-CD1 3.95Å; W111-Y811 AromaticContact CE3-CE1 3.59Å; W111-Y811 HydrophobicContact CE3-CE1 3.59Å; W111-Y811 HydrophobicContact CZ3-CD1 4.31Å; W111-Y811 HydrophobicContact CZ3-CE1 4.39Å; W111-Y811 PolarHBondContact O-OH 3.41Å; F137-Y811 HydrophobicContact CD2-CD2 4.46Å; F137-Y811 AromaticContact CE2-CD2 3.59Å; F137-Y811 HydrophobicContact CE2-CD2 3.59Å; F137-Y811 AromaticContact CE2-CE2 3.97Å; F137-Y811 HydrophobicContact CE2-CE2 3.97Å; F137-Y811 HydrophobicContact CE2-CG 4.36Å; F137-Y811 HydrophobicContact CZ-CD2 4.42Å; F137-Y811 HydrophobicContact CZ-CE2 4.39Å; M140-Y811 HydrophobicContact CE-CD2 4.31Å; F178-Y811 HydrophobicContact CE2-CD2 4.14Å; F178-Y811 HydrophobicContact CE2-CG 4.09Å; F178-Y811 AromaticContact CZ-CD2 3.72Å; F178-Y811 HydrophobicContact CZ-CD2 3.72Å; F178-Y811 HydrophobicContact CZ-CG 4.15Å; I234-Y811 HydrophobicContact CD1-CE2 4.22Å; L239-Y811 HydrophobicContact CD1-CD2 3.9Å; L239-Y811 HydrophobicContact CD1-CE2 3.65Å; K807-Y811 WeakPolarHBondContact O-CB 3.37Å; K807-Y811 PolarHBondContact O-N 3.05Å; N808-Y811 PolarHBondContact O-N 3.07Å; V809-Y811 PolarHBondContact O-N 2.81Å; Y811-V814 PolarHBondContact O-N 2.69Å; Y811-K815 HydrophobicContact CE1-CD 4.4Å; Y811-K815 WeakPolarHBondContact O-CB 3.32Å; Y811-K815 PolarHBondContact O-N 2.96Å
812	H	94.1	Very high	89.3	Confident	0 Å²	0	16.3 Å²	16.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-72	-37	-176.5	-72.2	-68.2	0	0	0	112.4	R596 P598 F601 N808 V814 K815 D816	R596-H812 WeakPolarHBondContact O-CB 3.44Å; P598-H812 VanDerWaalsContact CD-CG 3.45Å; F601-H812 AromaticContact CE2-CE1 3.86Å; F601-H812 AromaticContact CE2-NE2 3.27Å; F601-H812 VanDerWaalsContact CE2-NE2 3.27Å; F601-H812 WeakPolarHBondContact CE2-NE2 3.38Å; F601-H812 AromaticContact CZ-NE2 3.66Å; N808-H812 PolarHBondContact O-CD2 3.21Å; N808-H812 VanDerWaalsContact O-CD2 3.25Å; N808-H812 PolarHBondContact O-N 3.41Å; H812-V814 VanDerWaalsContact C-N 3.32Å; H812-V814 PolarHBondContact O-N 2.83Å; H812-K815 WeakPolarHBondContact O-CB 3.42Å; H812-K815 PolarHBondContact O-N 2.73Å; H812-D816 WeakPolarHBondContact O-CB 3.4Å; H812-D816 VanDerWaalsContact O-CG 3.28Å; H812-D816 PolarHBondContact O-N 3.26Å
813	A	94.3	Very high	90.6	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-59.8	-39.6	172.7	0	0	0	0	0	113.2	I129 I133 L593 V809 A817	I129-A813 HydrophobicContact CG2-CB 4.32Å; I133-A813 HydrophobicContact CD1-CB 3.48Å; I133-A813 VanDerWaalsContact CD1-CB 3.48Å; L593-A813 HydrophobicContact CD2-CB 3.88Å; V809-A813 WeakPolarHBondContact O-CB 3.16Å; V809-A813 PolarHBondContact O-N 3.37Å; A813-A817 WeakPolarHBondContact O-CB 3.35Å; A813-A817 PolarHBondContact O-N 2.96Å
814	V	95.6	Very high	91.4	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-70.3	-43.6	172.8	169.1	0	0	0	0	112	L130 I133 F137 V246 I810 Y811 H812 D816 A817 V818	L130-V814 HydrophobicContact CD1-CG1 3.99Å; L130-V814 HydrophobicContact CD1-CG2 4.3Å; I133-V814 HydrophobicContact CD1-CG2 3.69Å; I133-V814 HydrophobicContact CG1-CG2 3.57Å; F137-V814 HydrophobicContact CB-CB 4.48Å; F137-V814 HydrophobicContact CB-CG2 3.73Å; F137-V814 HydrophobicContact CD1-CG1 3.99Å; F137-V814 HydrophobicContact CD2-CB 3.9Å; F137-V814 HydrophobicContact CD2-CG1 3.98Å; F137-V814 HydrophobicContact CD2-CG2 4.03Å; F137-V814 HydrophobicContact CE1-CG1 4.14Å; F137-V814 HydrophobicContact CE2-CB 4.3Å; F137-V814 HydrophobicContact CE2-CG1 4.13Å; F137-V814 HydrophobicContact CG-CB 4.11Å; F137-V814 HydrophobicContact CG-CG1 3.92Å; F137-V814 HydrophobicContact CG-CG2 3.9Å; F137-V814 HydrophobicContact CZ-CG1 4.24Å; V246-V814 HydrophobicContact CG2-CG1 3.32Å; I810-V814 WeakPolarHBondContact O-CG2 3.36Å; I810-V814 PolarHBondContact O-N 3.47Å; Y811-V814 PolarHBondContact O-N 2.69Å; H812-V814 VanDerWaalsContact C-N 3.32Å; H812-V814 PolarHBondContact O-N 2.83Å; V814-D816 VanDerWaalsContact C-N 3.3Å; V814-D816 PolarHBondContact O-N 2.83Å; V814-A817 PolarHBondContact O-N 3.33Å; V814-V818 HydrophobicContact CG1-CG2 4.29Å; V814-V818 VanDerWaalsContact O-CB 3.31Å; V814-V818 WeakPolarHBondContact O-CB 3.45Å; V814-V818 VanDerWaalsContact O-CG2 3.32Å; V814-V818 WeakPolarHBondContact O-CG2 3.43Å; V814-V818 PolarHBondContact O-N 2.6Å
815	K	94.4	Very high	91.6	Very high	16 Å²	16	14.5 Å²	14.5	7%	0.07	7%	0.074	C	C	.	.	H	α-helix	trans	-55	-46.3	178.4	-170.7	-163.9	72.2	159.6	0	111.4	L110 W111 P113 Y811 H812 V818 A819	L110-K815 PolarHBondContact O-NZ 2.78Å; W111-K815 WeakPolarHBondContact O-CD 3.34Å; W111-K815 WeakPolarHBondContact O-CG 2.9Å; P113-K815 HydrophobicContact CB-CG 4.11Å; P113-K815 WeakPolarHBondContact CB-O 3.44Å; Y811-K815 HydrophobicContact CE1-CD 4.4Å; Y811-K815 WeakPolarHBondContact O-CB 3.32Å; Y811-K815 PolarHBondContact O-N 2.96Å; H812-K815 WeakPolarHBondContact O-CB 3.42Å; H812-K815 PolarHBondContact O-N 2.73Å; K815-V818 PolarHBondContact O-N 2.96Å; K815-A819 WeakPolarHBondContact O-CB 3.29Å; K815-A819 PolarHBondContact O-N 2.88Å
816	D	92.6	Very high	90.7	Very high	45 Å²	45	17.9 Å²	17.9	24%	0.241	10%	0.099	C	C	.	.	H	α-helix	trans	-78.3	-36.8	-173.8	-62.4	-12.1	0	0	0	111.7	H812 V814 V818 A819 M820	H812-D816 WeakPolarHBondContact O-CB 3.4Å; H812-D816 VanDerWaalsContact O-CG 3.28Å; H812-D816 PolarHBondContact O-N 3.26Å; V814-D816 VanDerWaalsContact C-N 3.3Å; V814-D816 PolarHBondContact O-N 2.83Å; D816-V818 PolarHBondContact O-N 3.05Å; D816-A819 WeakPolarHBondContact O-CB 3.42Å; D816-A819 PolarHBondContact O-N 3.31Å; D816-M820 PolarHBondContact O-N 2.96Å
817	A	94.1	Very high	89.5	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.8	-43.3	169.8	0	0	0	0	0	111.9	A126 I129 L130 A813 V814 M820 L821	A126-A817 HydrophobicContact CB-CB 4.14Å; I129-A817 HydrophobicContact CG2-CB 4.34Å; L130-A817 HydrophobicContact CB-CB 4.48Å; A813-A817 WeakPolarHBondContact O-CB 3.35Å; A813-A817 PolarHBondContact O-N 2.96Å; V814-A817 PolarHBondContact O-N 3.33Å; A817-M820 PolarHBondContact O-N 2.96Å; A817-L821 WeakPolarHBondContact O-CD1 3.43Å; A817-L821 VanDerWaalsContact O-CG 3.3Å; A817-L821 WeakPolarHBondContact O-CG 3.44Å; A817-L821 PolarHBondContact O-N 3.35Å
818	V	94.3	Very high	88.1	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-62.8	-40.1	173.5	161	0	0	0	0	111.8	P113 L130 I245 V246 V249 V814 K815 D816 K822	P113-V818 HydrophobicContact CB-CG1 3.9Å; P113-V818 HydrophobicContact CG-CG1 3.92Å; L130-V818 HydrophobicContact CD1-CG2 4.46Å; L130-V818 HydrophobicContact CD2-CG2 4.21Å; I245-V818 HydrophobicContact CG2-CG1 3.45Å; I245-V818 VanDerWaalsContact CG2-CG1 3.45Å; V246-V818 HydrophobicContact CG2-CG2 3.73Å; V249-V818 HydrophobicContact CG2-CG1 4.36Å; V814-V818 HydrophobicContact CG1-CG2 4.29Å; V814-V818 VanDerWaalsContact O-CB 3.31Å; V814-V818 WeakPolarHBondContact O-CB 3.45Å; V814-V818 VanDerWaalsContact O-CG2 3.32Å; V814-V818 WeakPolarHBondContact O-CG2 3.43Å; V814-V818 PolarHBondContact O-N 2.6Å; K815-V818 PolarHBondContact O-N 2.96Å; D816-V818 PolarHBondContact O-N 3.05Å; V818-K822 HydrophobicContact CG1-CD 4.01Å; V818-K822 WeakPolarHBondContact O-CB 3.35Å; V818-K822 WeakPolarHBondContact O-CG 3.49Å; V818-K822 PolarHBondContact O-N 3.39Å
819	A	92.8	Very high	86.2	Confident	4 Å²	4	28.9 Å²	28.9	3%	0.033	18%	0.18	C	C	.	.	H	α-helix	trans	-62.1	-45.3	176.4	0	0	0	0	0	111.6	P113 V118 K815 D816 K822 A823	P113-A819 HydrophobicContact CB-CB 3.97Å; V118-A819 HydrophobicContact CG2-CB 4.14Å; K815-A819 WeakPolarHBondContact O-CB 3.29Å; K815-A819 PolarHBondContact O-N 2.88Å; D816-A819 WeakPolarHBondContact O-CB 3.42Å; D816-A819 PolarHBondContact O-N 3.31Å; A819-K822 PolarHBondContact O-N 2.93Å; A819-A823 VanDerWaalsContact O-CB 3.3Å; A819-A823 WeakPolarHBondContact O-CB 3.36Å; A819-A823 PolarHBondContact O-N 2.89Å
820	M	92.6	Very high	83.6	Confident	38 Å²	38	36.8 Å²	36.8	19%	0.187	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-45.2	177.9	-169.9	62.1	-124.2	0	0	112.5	V118 T121 A126 D816 A817 A823 S824	V118-M820 HydrophobicContact CB-SD 4.02Å; V118-M820 HydrophobicContact CG1-CB 3.89Å; V118-M820 HydrophobicContact CG1-CG 4.34Å; V118-M820 HydrophobicContact CG1-SD 3.58Å; V118-M820 VanDerWaalsContact CG1-SD 3.58Å; T121-M820 WeakPolarHBondContact O-CG 3.35Å; A126-M820 HydrophobicContact CB-CB 4.07Å; A126-M820 HydrophobicContact CB-CG 4.27Å; D816-M820 PolarHBondContact O-N 2.96Å; A817-M820 PolarHBondContact O-N 2.96Å; M820-A823 PolarHBondContact O-N 3.2Å; M820-S824 VanDerWaalsContact CE-OG 3.23Å; M820-S824 WeakPolarHBondContact CE-OG 3.49Å; M820-S824 WeakPolarHBondContact O-CB 3.41Å; M820-S824 PolarHBondContact O-N 3.31Å; M820-S824 PolarHBondContact O-OG 2.89Å
821	L	92.3	Very high	81.1	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.8	-46.4	179.1	-70.4	162.8	0	0	0	110.7	L123 A126 K127 L130 V249 W253 I255 A817 A823 S824 E825	L123-L821 HydrophobicContact CD1-CD2 3.65Å; A126-L821 HydrophobicContact CB-CD1 4.38Å; A126-L821 HydrophobicContact CB-CD2 4.48Å; A126-L821 HydrophobicContact CB-CG 4.08Å; K127-L821 HydrophobicContact CG-CD2 4.07Å; L130-L821 HydrophobicContact CD2-CD1 3.63Å; V249-L821 HydrophobicContact CG1-CB 3.66Å; V249-L821 HydrophobicContact CG1-CD1 3.53Å; V249-L821 HydrophobicContact CG1-CG 4.19Å; W253-L821 HydrophobicContact CD2-CD2 3.65Å; W253-L821 HydrophobicContact CE3-CD2 4.14Å; W253-L821 HydrophobicContact CG-CD2 3.85Å; W253-L821 HydrophobicContact CZ2-CD2 4.25Å; W253-L821 WeakPolarHBondContact CZ2-O 3.43Å; I255-L821 HydrophobicContact CD1-CD1 4.19Å; A817-L821 WeakPolarHBondContact O-CD1 3.43Å; A817-L821 VanDerWaalsContact O-CG 3.3Å; A817-L821 WeakPolarHBondContact O-CG 3.44Å; A817-L821 PolarHBondContact O-N 3.35Å; L821-A823 PolarHBondContact O-N 2.95Å; L821-S824 WeakPolarHBondContact O-CB 3.49Å; L821-S824 PolarHBondContact O-N 3.08Å; L821-E825 WeakPolarHBondContact O-CG 3.28Å; L821-E825 PolarHBondContact O-N 3.25Å
822	K	91.1	Very high	80.3	Confident	65 Å²	65	48.4 Å²	48.4	28%	0.283	29%	0.288	S	S	.	.	H	α-helix	trans	-67.6	-33.4	176.7	-70.5	-179.3	66	176.6	0	114	T115 I245 V249 V818 A819 S826	T115-K822 HydrophobicContact CG2-CB 3.66Å; I245-K822 HydrophobicContact CG2-CD 3.75Å; V249-K822 HydrophobicContact CG2-CD 4.05Å; V249-K822 HydrophobicContact CG2-CG 3.74Å; V818-K822 HydrophobicContact CG1-CD 4.01Å; V818-K822 WeakPolarHBondContact O-CB 3.35Å; V818-K822 WeakPolarHBondContact O-CG 3.49Å; V818-K822 PolarHBondContact O-N 3.39Å; A819-K822 PolarHBondContact O-N 2.93Å; K822-S826 PolarHBondContact O-N 3.34Å; K822-S826 PolarHBondContact O-OG 3.37Å
823	A	88.6	Confident	79.6	Confident	20 Å²	20	50.9 Å²	50.9	17%	0.165	30%	0.303	C	S	.	.	H	α-helix	trans	-64.6	-42.1	172.3	0	0	0	0	0	111.1	V118 A819 M820 L821 E825 S826 S827	V118-A823 HydrophobicContact CG2-CB 3.94Å; A819-A823 VanDerWaalsContact O-CB 3.3Å; A819-A823 WeakPolarHBondContact O-CB 3.36Å; A819-A823 PolarHBondContact O-N 2.89Å; M820-A823 PolarHBondContact O-N 3.2Å; L821-A823 PolarHBondContact O-N 2.95Å; A823-E825 PolarHBondContact O-N 2.95Å; A823-S826 WeakPolarHBondContact O-CB 3.27Å; A823-S826 PolarHBondContact O-N 2.95Å; A823-S827 PolarHBondContact O-N 3.46Å
824	S	85.8	Confident	78.8	Confident	13 Å²	13	53.7 Å²	53.7	9%	0.091	32%	0.32	C	S	.	.	H	α-helix	trans	-65.3	-36.7	177.1	-52.9	0	0	0	0	112.8	M820 L821 S826 S827 L828	M820-S824 VanDerWaalsContact CE-OG 3.23Å; M820-S824 WeakPolarHBondContact CE-OG 3.49Å; M820-S824 WeakPolarHBondContact O-CB 3.41Å; M820-S824 PolarHBondContact O-N 3.31Å; M820-S824 PolarHBondContact O-OG 2.89Å; L821-S824 WeakPolarHBondContact O-CB 3.49Å; L821-S824 PolarHBondContact O-N 3.08Å; S824-S826 PolarHBondContact O-N 3.23Å; S824-S827 PolarHBondContact O-N 2.9Å; S824-S827 PolarHBondContact O-OG 2.96Å; S824-L828 WeakPolarHBondContact O-CB 3.43Å; S824-L828 VanDerWaalsContact O-CG 3.31Å; S824-L828 WeakPolarHBondContact O-CG 3.33Å; S824-L828 PolarHBondContact O-N 2.91Å; S824-L828 VanDerWaalsContact O-N 3.12Å
825	E	80.4	Confident	77.8	Confident	40 Å²	40	56.9 Å²	56.9	19%	0.187	34%	0.339	C	S	.	.	H	α-helix	trans	-61.2	-32.3	170.5	-67.9	168.2	-140.2	0	0	112.5	K252 W253 L821 A823 G829	K252-E825 HydrophobicContact CD-CG 4.24Å; K252-E825 WeakPolarHBondContact CD-OE2 3.45Å; K252-E825 WeakPolarHBondContact CE-OE2 3.35Å; K252-E825 IonicContact NZ-OE2 3.01Å; K252-E825 PolarHBondContact NZ-OE2 3.31Å; W253-E825 HydrophobicContact CZ2-CG 3.79Å; W253-E825 PolarHBondContact NE1-OE1 2.96Å; L821-E825 WeakPolarHBondContact O-CG 3.28Å; L821-E825 PolarHBondContact O-N 3.25Å; A823-E825 PolarHBondContact O-N 2.95Å; E825-G829 PolarHBondContact O-N 3.41Å; E825-G829 VanDerWaalsContact O-N 3.13Å
826	S	68.1	Low	76.8	Confident	78 Å²	78	59.4 Å²	59.4	55%	0.545	36%	0.356	S	S	.	.	H	α-helix	trans	-81.4	-19.9	-175.1	-54.8	0	0	0	0	113.2	K822 A823 S824	K822-S826 PolarHBondContact O-N 3.34Å; K822-S826 PolarHBondContact O-OG 3.37Å; A823-S826 WeakPolarHBondContact O-CB 3.27Å; A823-S826 PolarHBondContact O-N 2.95Å; S824-S826 PolarHBondContact O-N 3.23Å
827	S	64.1	Low	75.7	Confident	84 Å²	84	60.4 Å²	60.4	59%	0.587	36%	0.363	S	S	*	.	H	α-helix	trans	-87.6	-39.6	169.5	52.5	0	0	0	0	112.3	A823 S824 G829	A823-S827 PolarHBondContact O-N 3.46Å; S824-S827 PolarHBondContact O-N 2.9Å; S824-S827 PolarHBondContact O-OG 2.96Å; S827-G829 PolarHBondContact O-N 2.65Å
828	L	59.3	Low	74.4	Confident	133 Å²	133	64.7 Å²	64.7	70%	0.696	39%	0.389	S	S	*	.	H	α-helix	trans	-67	-19.1	174.6	-69.2	169.2	0	0	0	113.5	W253 S824 K830	W253-L828 HydrophobicContact CH2-CD1 4.12Å; S824-L828 WeakPolarHBondContact O-CB 3.43Å; S824-L828 VanDerWaalsContact O-CG 3.31Å; S824-L828 WeakPolarHBondContact O-CG 3.33Å; S824-L828 PolarHBondContact O-N 2.91Å; S824-L828 VanDerWaalsContact O-N 3.12Å; L828-K830 VanDerWaalsContact C-N 3.35Å
829	G	52.3	Low	72.9	Confident	63 Å²	63	69.7 Å²	69.7	65%	0.649	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	12	180	0	0	0	0	0	116	E825 S827	E825-G829 PolarHBondContact O-N 3.41Å; E825-G829 VanDerWaalsContact O-N 3.13Å; S827-G829 PolarHBondContact O-N 2.65Å
830	K	38.9	Very low	71.2	Confident	169 Å²	169	75.2 Å²	75.2	74%	0.735	45%	0.452	S	S	*	.			trans	-113.6	121.2	174.2	-72.3	-172.7	174.9	-173.1	0	110.4	L828	L828-K830 VanDerWaalsContact C-N 3.35Å
831	P	41.2	Very low	69.3	Low	199 Å²	199	78.5 Å²	78.5	100%	1.292	48%	0.476	S	S	*	.			trans	-73.4	0	166.9	34.7	-35.1	0	0	0	111.7

Retrieved 831 of 831 residues in 364.5 ms (Link to these results)

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