A0A087YCF7_POEFO Loading...

General transcription and DNA repair factor IIH helicase/translocase subunit XPB

AlphaFold DB , UniProt , Accession A0A087YCF7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 780 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.8	Very low	29.7	Very low	251 Å²	251	177.8 Å²	177.8	100%	1.236	87%	0.868	S	S	*	*				0	138.2	0	-91.8	171.2	159.7	0	0	108.4
2	G	34.6	Very low	29.4	Very low	77 Å²	77	180.4 Å²	180.4	79%	0.794	87%	0.871	S	S	*	*			trans	-31.2	136.9	-165.8	0	0	0	0	0	120.7
3	K	29.6	Very low	29	Very low	210 Å²	210	183.2 Å²	183.2	91%	0.913	87%	0.867	S	S	*	*				-167.5	135	99.7	-100.3	175.3	178.1	179	0	110
4	R	28.8	Very low	28.7	Very low	222 Å²	222	186.5 Å²	186.5	84%	0.838	87%	0.869	S	S	*	*			trans	-89.5	125.8	175.2	-75.7	171.1	169.4	166.8	-3.2	107.7
5	D	31.5	Very low	28.5	Very low	168 Å²	168	188.9 Å²	188.9	90%	0.898	87%	0.87	S	S	*	*			trans	-104.6	115.3	156.1	-79.4	-35.6	0	0	0	109
6	K	30.2	Very low	28.3	Very low	160 Å²	160	188.4 Å²	188.4	70%	0.696	87%	0.868	S	S	*	*			trans	-106.1	105.2	173.1	-89.7	-179.6	172.6	174.7	0	107
7	E	28.5	Very low	28.1	Very low	200 Å²	200	188.1 Å²	188.1	94%	0.935	87%	0.867	S	S	*	*			trans	-88.7	119.6	155.6	-77	-171.6	148.6	0	0	108.9
8	K	29.2	Very low	27.9	Very low	184 Å²	184	188.2 Å²	188.2	80%	0.8	87%	0.869	S	S	*	*			trans	-100.7	110.4	177.6	-94.4	-176.6	173.5	-178.2	0	110
9	K	27.4	Very low	27.7	Very low	190 Å²	190	186.1 Å²	186.1	83%	0.826	86%	0.864	S	S	*	*			trans	27.4	108.6	135.7	-68.6	179.4	174.3	176.9	0	117.9
10	S	25.1	Very low	27.6	Very low	125 Å²	125	185.3 Å²	185.3	87%	0.874	87%	0.866	S	S	*	*			trans	-96.4	107.7	150.3	55.7	0	0	0	0	109.5
11	K	26.6	Very low	27.6	Very low	169 Å²	169	184.9 Å²	184.9	74%	0.735	87%	0.865	S	S	*	*			trans	-93.5	105.7	166.3	-86.6	-173.8	171.7	-172.9	0	107.8	R13	K11-R13 PolarHBondContact O-N 3.33Å
12	K	26.1	Very low	27.2	Very low	209 Å²	209	180.2 Å²	180.2	91%	0.909	85%	0.845	S	S	*	*			trans	-77.7	107	156.5	-90.7	-179.3	173.9	178	0	106.8
13	R	24.4	Very low	26.7	Very low	217 Å²	217	183.9 Å²	183.9	82%	0.819	85%	0.846	S	S	*	*			trans	-80.5	119.4	166.7	-84	178.3	168.3	167.5	-5.4	107.4	K11	K11-R13 PolarHBondContact O-N 3.33Å
14	Y	25.5	Very low	26.6	Very low	229 Å²	229	180.5 Å²	180.5	90%	0.898	84%	0.843	S	S	*	*			trans	-59	133.1	157.9	-117.7	-106.2	0	0	0	107.2	E16	Y14-E16 PolarHBondContact O-N 3.45Å
15	Y	26	Very low	26.4	Very low	223 Å²	223	176 Å²	176	88%	0.875	84%	0.84	S	S	*	*			trans	-75.6	114.3	166	-99.2	-94.8	0	0	0	106.3
16	E	23.8	Very low	26.1	Very low	180 Å²	180	171.1 Å²	171.1	84%	0.841	83%	0.83	S	S	*	*			trans	-66.7	121.6	161.1	-77.4	164.6	160.6	0	0	106.8	Y14	Y14-E16 PolarHBondContact O-N 3.45Å
17	E	25.4	Very low	25.9	Very low	183 Å²	183	168.7 Å²	168.7	86%	0.855	83%	0.833	S	S	*	*			trans	-70	121.3	160.8	-73	178.5	158.3	0	0	105.9	D19	E17-D19 PolarHBondContact O-N 3.04Å
18	E	23.9	Very low	25.9	Very low	191 Å²	191	164.8 Å²	164.8	89%	0.893	82%	0.815	S	S	*	*			trans	-64.2	102.6	171.7	-72.2	173.8	160.6	0	0	107.4	D20	E18-D20 PolarHBondContact O-N 2.96Å
19	D	24.3	Very low	26	Very low	148 Å²	148	160.7 Å²	160.7	79%	0.791	81%	0.807	S	S	*	*			trans	-62.9	118.7	163	-79	-41.2	0	0	0	107.9	E17 E21	E17-D19 PolarHBondContact O-N 3.04Å; D19-E21 PolarHBondContact O-N 3.42Å
20	D	25.9	Very low	26.5	Very low	169 Å²	169	160.9 Å²	160.9	90%	0.904	81%	0.811	S	S	*	*			trans	-62.8	82.5	166.1	-80.1	-45.9	0	0	0	109	E18 D22	E18-D20 PolarHBondContact O-N 2.96Å; D20-D22 PolarHBondContact O-N 3.04Å
21	E	28.1	Very low	27.2	Very low	178 Å²	178	161.3 Å²	161.3	83%	0.832	80%	0.799	S	S	*	*			trans	-74.4	89.5	161.9	-78.5	-171.2	159.6	0	0	109	D19	D19-E21 PolarHBondContact O-N 3.42Å
22	D	25.8	Very low	28.1	Very low	152 Å²	152	154.2 Å²	154.2	81%	0.813	77%	0.772	S	S	*	*			trans	-169.6	61.6	151.3	-95.1	-25.4	0	0	0	110.2	D20	D20-D22 PolarHBondContact O-N 3.04Å
23	D	25.5	Very low	29.4	Very low	155 Å²	155	146.8 Å²	146.8	83%	0.829	74%	0.744	S	S	*	*			trans	-123.4	90.1	154.5	-119.6	-15.1	0	0	0	106.8	T25	D23-T25 VanDerWaalsContact C-N 3.34Å; D23-T25 PolarHBondContact O-N 3.06Å
24	V	25.8	Very low	30.7	Very low	138 Å²	138	136.7 Å²	136.7	84%	0.836	71%	0.706	S	S	*	*			trans	-55.5	102.1	170.9	177.6	0	0	0	0	107	G26	V24-G26 VanDerWaalsContact C-N 3.32Å; V24-G26 PolarHBondContact O-N 2.9Å
25	T	26.1	Very low	32	Very low	127 Å²	127	129.1 Å²	129.1	78%	0.779	69%	0.691	S	S	*	*			trans	-60	92.5	176.3	48.1	0	0	0	0	109.3	D23 S27	D23-T25 VanDerWaalsContact C-N 3.34Å; D23-T25 PolarHBondContact O-N 3.06Å; T25-S27 VanDerWaalsContact C-N 3.3Å; T25-S27 PolarHBondContact O-N 2.89Å; T25-S27 VanDerWaalsContact O-N 3.09Å
26	G	24.6	Very low	33	Very low	67 Å²	67	118.5 Å²	118.5	69%	0.691	65%	0.65	S	S	*	*			trans	-64	99.9	149	0	0	0	0	0	106.7	V24 E28	V24-G26 VanDerWaalsContact C-N 3.32Å; V24-G26 PolarHBondContact O-N 2.9Å; G26-E28 VanDerWaalsContact C-N 3.27Å; G26-E28 PolarHBondContact O-N 3.07Å
27	S	25.7	Very low	34	Very low	109 Å²	109	111.1 Å²	111.1	76%	0.762	62%	0.619	S	S	*	*			trans	-59.2	89.7	169.5	39.8	0	0	0	0	109.1	T25 P29	T25-S27 VanDerWaalsContact C-N 3.3Å; T25-S27 PolarHBondContact O-N 2.89Å; T25-S27 VanDerWaalsContact O-N 3.09Å; S27-P29 WeakPolarHBondContact O-CD 3.43Å
28	E	28	Very low	35.1	Very low	118 Å²	118	105.2 Å²	105.2	55%	0.551	61%	0.608	S	S	*	*			trans	-61.5	121.1	163.7	-76.5	-172.2	172.7	0	0	107.2	G26 Q30 K446	G26-E28 VanDerWaalsContact C-N 3.27Å; G26-E28 PolarHBondContact O-N 3.07Å; E28-Q30 PolarHBondContact O-N 3.03Å; E28-K446 WeakPolarHBondContact OE1-CE 3.33Å; E28-K446 IonicContact OE1-NZ 3.03Å; E28-K446 PolarHBondContact OE1-NZ 2.75Å
29	P	32.9	Very low	36.6	Very low	97 Å²	97	102.4 Å²	102.4	63%	0.63	59%	0.592	S	S	*	*			trans	-67.1	125.4	-172.7	23.9	-31.3	0	0	0	110.5	S27 E31	S27-P29 WeakPolarHBondContact O-CD 3.43Å; P29-E31 HydrophobicContact CB-CB 4.06Å; P29-E31 HydrophobicContact CB-CG 3.79Å; P29-E31 PolarHBondContact O-N 2.91Å
30	Q	37.8	Very low	38	Very low	195 Å²	195	102.6 Å²	102.6	91%	0.911	59%	0.589	S	S	*	*			trans	-70	28.6	167.5	-76.3	-178.9	-29.7	0	0	112.6	E28	E28-Q30 PolarHBondContact O-N 3.03Å
31	E	39.8	Very low	39.7	Very low	133 Å²	133	95.3 Å²	95.3	62%	0.621	55%	0.55	S	S	*	*			trans	-97.5	14.7	-162.8	-67.8	-176.2	159.9	0	0	115.2	P29	P29-E31 HydrophobicContact CB-CB 4.06Å; P29-E31 HydrophobicContact CB-CG 3.79Å; P29-E31 PolarHBondContact O-N 2.91Å
32	A	44.9	Very low	41.1	Very low	21 Å²	21	93.6 Å²	93.6	17%	0.174	55%	0.547	C	S	.	.			trans	-95.5	12.9	-179.7	0	0	0	0	0	114.1
33	V	52.5	Low	42.8	Very low	52 Å²	52	90.6 Å²	90.6	32%	0.315	53%	0.528	S	S	.	.	S	Bend	trans	-109.8	127.3	179.3	178.6	0	0	0	0	108.2	A35 A37 Y116 V475	V33-A35 PolarHBondContact O-N 3.07Å; V33-A37 HydrophobicContact CG1-CB 3.59Å; V33-Y116 WeakPolarHBondContact CG1-OH 3.32Å; V33-V475 HydrophobicContact CG2-CG1 3.68Å
34	P	53	Low	44.3	Very low	5 Å²	5	88.8 Å²	88.8	3%	0.032	53%	0.527	C	S	.	.			trans	-57.2	142.1	174.8	7.3	-8.3	0	0	0	109.4	A36 A37 G38 Y119 Y158 I282	P34-A36 PolarHBondContact O-N 3.16Å; P34-A36 VanDerWaalsContact O-N 3.1Å; P34-A37 HydrophobicContact CB-CB 4.42Å; P34-A37 HydrophobicContact CG-CB 3.77Å; P34-A37 WeakPolarHBondContact O-CA 3.22Å; P34-A37 WeakPolarHBondContact O-CB 3.41Å; P34-A37 PolarHBondContact O-N 2.69Å; P34-G38 PolarHBondContact O-N 2.77Å; P34-Y119 HydrophobicContact CG-CE2 4.23Å; P34-Y158 WeakPolarHBondContact CB-OH 3.35Å; P34-I282 HydrophobicContact CB-CG2 3.88Å; P34-I282 VanDerWaalsContact CD-CG2 3.43Å; P34-I282 HydrophobicContact CG-CG2 3.82Å
35	A	51.3	Low	46.1	Very low	70 Å²	70	84.3 Å²	84.3	58%	0.579	51%	0.509	S	S	*	.	H	α-helix	trans	-55.8	-33.1	-179.3	0	0	0	0	0	112	V33 A37 G38 K39	V33-A35 PolarHBondContact O-N 3.07Å; A35-A37 VanDerWaalsContact C-N 3.33Å; A35-A37 PolarHBondContact O-N 3.45Å; A35-G38 PolarHBondContact O-N 3.46Å; A35-K39 PolarHBondContact O-N 2.8Å
36	A	47.1	Very low	48.1	Very low	1 Å²	1	79.6 Å²	79.6	1%	0.008	48%	0.48	C	S	.	.	H	α-helix	trans	-62	-30.7	170.5	0	0	0	0	0	114.7	P34 L153	P34-A36 PolarHBondContact O-N 3.16Å; P34-A36 VanDerWaalsContact O-N 3.1Å; A36-L153 HydrophobicContact CB-CD2 4.28Å
37	A	45.3	Very low	50.6	Low	24 Å²	24	83.9 Å²	83.9	20%	0.198	48%	0.48	C	S	.	.	H	α-helix	trans	-82.5	-18.9	177.2	0	0	0	0	0	113.7	V33 P34 A35 A115 Y116	V33-A37 HydrophobicContact CG1-CB 3.59Å; P34-A37 HydrophobicContact CB-CB 4.42Å; P34-A37 HydrophobicContact CG-CB 3.77Å; P34-A37 WeakPolarHBondContact O-CA 3.22Å; P34-A37 WeakPolarHBondContact O-CB 3.41Å; P34-A37 PolarHBondContact O-N 2.69Å; A35-A37 VanDerWaalsContact C-N 3.33Å; A35-A37 PolarHBondContact O-N 3.45Å; A37-A115 HydrophobicContact CB-CB 3.81Å; A37-Y116 HydrophobicContact CB-CE2 4.05Å
38	G	48.4	Very low	53.5	Low	59 Å²	59	84.3 Å²	84.3	61%	0.608	47%	0.473	S	S	*	.	H	α-helix	trans	-83.2	-19.9	169	0	0	0	0	0	113.7	P34 A35 Q40	P34-G38 PolarHBondContact O-N 2.77Å; A35-G38 PolarHBondContact O-N 3.46Å; G38-Q40 PolarHBondContact O-N 2.67Å
39	K	54.7	Low	56.3	Low	132 Å²	132	82.1 Å²	82.1	57%	0.574	47%	0.465	S	S	*	.			trans	-74.7	103.6	174.3	-75.9	178.8	179.7	178.8	0	109.6	A35 F150	A35-K39 PolarHBondContact O-N 2.8Å; K39-F150 WeakPolarHBondContact O-CE2 3.25Å
40	Q	55.6	Low	59	Low	153 Å²	153	86.1 Å²	86.1	72%	0.715	48%	0.475	S	S	*	.			trans	-65.5	148.9	157.1	-65.1	-173.7	1.2	0	0	108.1	G38 D42	G38-Q40 PolarHBondContact O-N 2.67Å; Q40-D42 PolarHBondContact O-N 2.75Å; Q40-D42 VanDerWaalsContact O-N 3.15Å
41	V	61.6	Low	61.5	Low	15 Å²	15	86.7 Å²	86.7	9%	0.091	47%	0.471	C	S	.	.			trans	-55.9	123.8	178.8	-167.9	0	0	0	0	107.9	E43 P75 I147 F150	V41-E43 PolarHBondContact O-N 3.31Å; V41-P75 WeakPolarHBondContact CB-O 3.49Å; V41-P75 WeakPolarHBondContact CG1-O 3.48Å; V41-I147 HydrophobicContact CB-CD1 4.46Å; V41-I147 HydrophobicContact CG1-CD1 4.03Å; V41-I147 HydrophobicContact CG2-CD1 3.91Å; V41-F150 HydrophobicContact CG2-CB 4.44Å; V41-F150 HydrophobicContact CG2-CD1 4.16Å; V41-F150 HydrophobicContact CG2-CD2 4.39Å; V41-F150 HydrophobicContact CG2-CG 4.07Å
42	D	56.9	Low	63.7	Low	142 Å²	142	82.9 Å²	82.9	76%	0.759	47%	0.467	S	S	*	.			trans	-54.3	113.9	-171.2	-99.4	-35.6	0	0	0	111.1	Q40 S44	Q40-D42 PolarHBondContact O-N 2.75Å; Q40-D42 VanDerWaalsContact O-N 3.15Å; D42-S44 PolarHBondContact O-N 2.78Å
43	E	61.2	Low	65.8	Low	90 Å²	90	84.3 Å²	84.3	42%	0.421	48%	0.478	S	S	.	.			trans	-80.7	10	178	-64.5	-164.9	153	0	0	113	V41 G45 T46 K54	V41-E43 PolarHBondContact O-N 3.31Å; E43-G45 PolarHBondContact O-N 3.07Å; E43-T46 PolarHBondContact O-N 3.39Å; E43-T46 PolarHBondContact O-OG1 3.44Å; E43-K54 IonicContact OE1-NZ 3.67Å; E43-K54 PolarHBondContact OE1-NZ 2.78Å; E43-K54 IonicContact OE2-NZ 2.69Å
44	S	56.6	Low	67.5	Low	116 Å²	116	86 Å²	86	81%	0.811	48%	0.481	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	3.4	-164.7	58	0	0	0	0	116.3	D42	D42-S44 PolarHBondContact O-N 2.78Å
45	G	63.2	Low	69.2	Low	44 Å²	44	88.8 Å²	88.8	45%	0.454	50%	0.496	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.6	9.1	171.9	0	0	0	0	0	115.6	E43 K47 Q59	E43-G45 PolarHBondContact O-N 3.07Å; G45-K47 PolarHBondContact O-N 2.91Å; G45-Q59 PolarHBondContact O-NE2 3.33Å; G45-Q59 VanDerWaalsContact O-NE2 3.12Å
46	T	70.1	Confident	71	Confident	29 Å²	29	87.2 Å²	87.2	18%	0.178	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-82.3	117.1	-177.1	-50.2	0	0	0	0	110.8	E43 K54 Y56	E43-T46 PolarHBondContact O-N 3.39Å; E43-T46 PolarHBondContact O-OG1 3.44Å; T46-K54 HydrophobicContact CG2-CB 3.77Å; T46-K54 HydrophobicContact CG2-CD 4.19Å; T46-K54 HydrophobicContact CG2-CG 4.04Å; T46-Y56 HydrophobicContact CG2-CD1 3.93Å; T46-Y56 HydrophobicContact CG2-CE1 3.34Å
47	K	76.9	Confident	72.8	Confident	156 Å²	156	97 Å²	97	68%	0.678	51%	0.512	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.6	128.6	174.7	-66.3	-176.9	-178.9	-179.5	0	109.3	G45 D55	G45-K47 PolarHBondContact O-N 2.91Å; K47-D55 PolarHBondContact O-N 3.2Å
48	L	85.4	Confident	74.7	Confident	118 Å²	118	100.3 Å²	100.3	62%	0.618	53%	0.534	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	138	164.2	-66.7	171.2	0	0	0	108.6	A53 K54	L48-A53 CarbonylContact C-O 3.26Å; L48-A53 VanDerWaalsContact CA-O 3.32Å; L48-A53 WeakPolarHBondContact CA-O 3.32Å; L48-K54 HydrophobicContact CD2-CG 3.8Å
49	D	87.5	Confident	76.3	Confident	73 Å²	73	100.4 Å²	100.4	39%	0.39	52%	0.518	S	S	.	.			trans	-77.7	-179.5	171	77.6	2	0	0	0	111.8	Y51 G52 A53	D49-Y51 PolarHBondContact O-N 3.1Å; D49-Y51 VanDerWaalsContact O-N 3.14Å; D49-Y51 VanDerWaalsContact OD1-C 3.3Å; D49-Y51 WeakPolarHBondContact OD1-CA 2.97Å; D49-Y51 PolarHBondContact OD1-N 2.82Å; D49-G52 PolarHBondContact O-N 3.19Å; D49-G52 PolarHBondContact OD1-N 2.92Å; D49-A53 PolarHBondContact N-O 3.18Å; D49-A53 PolarHBondContact OD1-N 3.23Å; D49-A53 WeakPolarHBondContact OD2-CB 3.4Å
50	E	89.1	Confident	77.8	Confident	181 Å²	181	95.6 Å²	95.6	85%	0.846	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-15.8	-179.3	-62.4	-179.4	-179.5	0	0	113.9
51	Y	89.9	Confident	79.4	Confident	207 Å²	207	95 Å²	95	81%	0.812	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	3.5	-178.6	-52.8	-73	0	0	0	112.8	D49	D49-Y51 PolarHBondContact O-N 3.1Å; D49-Y51 VanDerWaalsContact O-N 3.14Å; D49-Y51 VanDerWaalsContact OD1-C 3.3Å; D49-Y51 WeakPolarHBondContact OD1-CA 2.97Å; D49-Y51 PolarHBondContact OD1-N 2.82Å
52	G	86.9	Confident	80.8	Confident	52 Å²	52	99.5 Å²	99.5	54%	0.536	52%	0.519	S	S	.	.	S	Bend	trans	85	15.8	178.6	0	0	0	0	0	115.4	D49	D49-G52 PolarHBondContact O-N 3.19Å; D49-G52 PolarHBondContact OD1-N 2.92Å
53	A	89.3	Confident	82.4	Confident	51 Å²	51	95.4 Å²	95.4	42%	0.421	49%	0.494	S	S	.	.			trans	-83.6	145.9	171.3	0	0	0	0	0	111.5	L48 D49	L48-A53 CarbonylContact C-O 3.26Å; L48-A53 VanDerWaalsContact CA-O 3.32Å; L48-A53 WeakPolarHBondContact CA-O 3.32Å; D49-A53 PolarHBondContact N-O 3.18Å; D49-A53 PolarHBondContact OD1-N 3.23Å; D49-A53 WeakPolarHBondContact OD2-CB 3.4Å
54	K	88.3	Confident	83.6	Confident	87 Å²	87	100.6 Å²	100.6	38%	0.378	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	122.9	178.2	-61	-175.3	-174.1	-177.6	0	110.5	E43 T46 L48 Y56 D76	E43-K54 IonicContact OE1-NZ 3.67Å; E43-K54 PolarHBondContact OE1-NZ 2.78Å; E43-K54 IonicContact OE2-NZ 2.69Å; T46-K54 HydrophobicContact CG2-CB 3.77Å; T46-K54 HydrophobicContact CG2-CD 4.19Å; T46-K54 HydrophobicContact CG2-CG 4.04Å; L48-K54 HydrophobicContact CD2-CG 3.8Å; K54-Y56 HydrophobicContact CB-CE1 4.13Å; K54-Y56 HydrophobicContact CB-CE2 4.26Å; K54-Y56 HydrophobicContact CD-CE1 4.42Å; K54-Y56 WeakPolarHBondContact CD-OH 3.34Å; K54-D76 IonicContact NZ-OD2 3.41Å
55	D	87.9	Confident	85	Confident	64 Å²	64	99 Å²	99	34%	0.342	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	112.7	174.6	-171.2	-0.3	0	0	0	111.5	K47 R57	K47-D55 PolarHBondContact O-N 3.2Å; D55-R57 VanDerWaalsContact OD1-CB 3.28Å; D55-R57 WeakPolarHBondContact OD1-CB 3.04Å; D55-R57 WeakPolarHBondContact OD1-CD 3.3Å; D55-R57 WeakPolarHBondContact OD1-CG 3.46Å; D55-R57 PolarHBondContact OD1-N 3.21Å
56	Y	88.4	Confident	86.1	Confident	37 Å²	37	100.7 Å²	100.7	15%	0.145	49%	0.493	C	S	.	.			trans	-103.3	3.8	178.7	-61.3	-41.8	0	0	0	114.6	T46 K54 S58 Q59 M60 A74 P75 D76	T46-Y56 HydrophobicContact CG2-CD1 3.93Å; T46-Y56 HydrophobicContact CG2-CE1 3.34Å; K54-Y56 HydrophobicContact CB-CE1 4.13Å; K54-Y56 HydrophobicContact CB-CE2 4.26Å; K54-Y56 HydrophobicContact CD-CE1 4.42Å; K54-Y56 WeakPolarHBondContact CD-OH 3.34Å; Y56-S58 VanDerWaalsContact C-N 3.27Å; Y56-S58 PolarHBondContact O-N 3.27Å; Y56-Q59 PolarHBondContact O-N 3.37Å; Y56-Q59 VanDerWaalsContact O-N 3.1Å; Y56-M60 HydrophobicContact CD2-SD 4.36Å; Y56-M60 HydrophobicContact CG-SD 4.29Å; Y56-M60 WeakPolarHBondContact O-CB 3.5Å; Y56-M60 PolarHBondContact O-N 3.03Å; Y56-A74 HydrophobicContact CD2-CB 4.2Å; Y56-A74 HydrophobicContact CE2-CB 3.92Å; Y56-P75 HydrophobicContact CD1-CG 3.33Å; Y56-P75 HydrophobicContact CD2-CG 4.39Å; Y56-P75 HydrophobicContact CE1-CG 3.31Å; Y56-P75 HydrophobicContact CE2-CG 4.4Å; Y56-P75 HydrophobicContact CG-CG 3.89Å; Y56-D76 VanDerWaalsContact OH-CG 3.24Å; Y56-D76 PolarHBondContact OH-OD2 3.37Å; Y56-D76 VanDerWaalsContact OH-OD2 3.06Å
57	R	86	Confident	86.9	Confident	208 Å²	208	103.1 Å²	103.1	79%	0.785	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-31.3	-172.1	-67.7	168.3	-177.2	179.3	3.5	113.9	D55	D55-R57 VanDerWaalsContact OD1-CB 3.28Å; D55-R57 WeakPolarHBondContact OD1-CB 3.04Å; D55-R57 WeakPolarHBondContact OD1-CD 3.3Å; D55-R57 WeakPolarHBondContact OD1-CG 3.46Å; D55-R57 PolarHBondContact OD1-N 3.21Å
58	S	84.3	Confident	87.4	Confident	92 Å²	92	96.9 Å²	96.9	64%	0.643	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-28.4	178.7	55.1	0	0	0	0	113.3	Y56	Y56-S58 VanDerWaalsContact C-N 3.27Å; Y56-S58 PolarHBondContact O-N 3.27Å
59	Q	82.7	Confident	87.6	Confident	62 Å²	62	93.4 Å²	93.4	29%	0.29	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-27.6	-176.8	-57.7	-179.3	16.5	0	0	112	G45 Y56 P75	G45-Q59 PolarHBondContact O-NE2 3.33Å; G45-Q59 VanDerWaalsContact O-NE2 3.12Å; Y56-Q59 PolarHBondContact O-N 3.37Å; Y56-Q59 VanDerWaalsContact O-N 3.1Å; Q59-P75 VanDerWaalsContact OE1-CB 3.27Å; Q59-P75 VanDerWaalsContact OE1-CG 3.31Å
60	M	86.6	Confident	87.9	Confident	30 Å²	30	90 Å²	90	15%	0.148	45%	0.448	C	S	.	.			trans	-111.9	98.1	-176.9	-64.1	175.2	65.5	0	0	110.9	Y56 V73 T141 P144	Y56-M60 HydrophobicContact CD2-SD 4.36Å; Y56-M60 HydrophobicContact CG-SD 4.29Å; Y56-M60 WeakPolarHBondContact O-CB 3.5Å; Y56-M60 PolarHBondContact O-N 3.03Å; M60-V73 WeakPolarHBondContact CE-O 3.32Å; M60-T141 HydrophobicContact CB-CG2 4.24Å; M60-T141 HydrophobicContact CE-CG2 3.99Å; M60-T141 VanDerWaalsContact CE-OG1 3.27Å; M60-T141 WeakPolarHBondContact CE-OG1 3.48Å; M60-P144 HydrophobicContact CG-CG 4.18Å
61	Q	88.4	Confident	88.1	Confident	142 Å²	142	81.4 Å²	81.4	66%	0.664	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-84.6	133.8	175.8	-63.6	-176.6	4.4	0	0	110.7	T141 S142	Q61-T141 CarbonylContact O-C 3.56Å; Q61-T141 WeakPolarHBondContact O-CA 3.28Å; Q61-S142 PolarHBondContact N-OG 3.47Å; Q61-S142 PolarHBondContact O-N 3.4Å
62	L	90.8	Very high	88.3	Confident	109 Å²	109	76.1 Å²	76.1	57%	0.571	39%	0.387	S	S	*	.	B	Isolated β-bridge	trans	-74.8	128.9	179.1	-168.3	66.8	0	0	0	110.7	H66 T141	L62-H66 HydrophobicContact CD1-CB 3.58Å; L62-H66 HydrophobicContact CD2-CB 4.45Å; L62-H66 HydrophobicContact CG-CB 3.95Å; L62-T141 HydrophobicContact CD1-CG2 4.24Å
63	K	90.1	Very high	88.6	Confident	55 Å²	55	73.6 Å²	73.6	24%	0.239	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-77.9	158.7	175	-62.8	177.8	-174.3	158.1	0	110.8	D65 H66 Q136 S139 K140 T141	K63-D65 VanDerWaalsContact C-N 3.3Å; K63-D65 PolarHBondContact O-N 2.94Å; K63-H66 WeakPolarHBondContact O-CB 3.33Å; K63-H66 PolarHBondContact O-CD2 3Å; K63-H66 PolarHBondContact O-N 3.37Å; K63-Q136 PolarHBondContact NZ-O 3.13Å; K63-S139 WeakPolarHBondContact CD-O 3.28Å; K63-S139 PolarHBondContact NZ-O 3.4Å; K63-S139 PolarHBondContact NZ-OG 3.29Å; K63-K140 WeakPolarHBondContact CB-O 3.01Å; K63-K140 PolarHBondContact N-O 2.01Å; K63-T141 VanDerWaalsContact CE-O 3.28Å; K63-T141 WeakPolarHBondContact CE-O 3.3Å; K63-T141 PolarHBondContact NZ-O 3.1Å
64	K	86.9	Confident	88.6	Confident	200 Å²	200	71.4 Å²	71.4	87%	0.87	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-34.9	177	-64.3	-177.3	-179.1	178.3	0	112.4	H66	K64-H66 VanDerWaalsContact C-N 3.26Å; K64-H66 PolarHBondContact O-N 2.92Å
65	D	86.4	Confident	88.6	Confident	81 Å²	81	67.7 Å²	67.7	43%	0.433	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.3	34.1	-179.4	-42.9	-36.2	0	0	0	112.7	K63 S67 S68 R69	K63-D65 VanDerWaalsContact C-N 3.3Å; K63-D65 PolarHBondContact O-N 2.94Å; D65-S67 PolarHBondContact O-N 2.6Å; D65-S67 VanDerWaalsContact O-N 3.17Å; D65-S68 PolarHBondContact O-N 3.1Å; D65-S68 PolarHBondContact O-OG 2.85Å; D65-R69 IonicContact OD2-NH2 2.75Å; D65-R69 PolarHBondContact OD2-NH2 3.28Å
66	H	86.6	Confident	88.4	Confident	81 Å²	81	66 Å²	66	38%	0.375	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-14.8	-173.7	67.2	80.1	0	0	0	114	L62 K63 K64 K140	L62-H66 HydrophobicContact CD1-CB 3.58Å; L62-H66 HydrophobicContact CD2-CB 4.45Å; L62-H66 HydrophobicContact CG-CB 3.95Å; K63-H66 WeakPolarHBondContact O-CB 3.33Å; K63-H66 PolarHBondContact O-CD2 3Å; K63-H66 PolarHBondContact O-N 3.37Å; K64-H66 VanDerWaalsContact C-N 3.26Å; K64-H66 PolarHBondContact O-N 2.92Å; H66-K140 HydrophobicContact CB-CB 4.25Å; H66-K140 HydrophobicContact CB-CG 4.5Å; H66-K140 VanDerWaalsContact O-CD 3.23Å; H66-K140 WeakPolarHBondContact O-CD 3.04Å; H66-K140 WeakPolarHBondContact O-CE 3.11Å; H66-K140 WeakPolarHBondContact O-CG 3.43Å
67	S	86.4	Confident	88.3	Confident	79 Å²	79	64.3 Å²	64.3	55%	0.552	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-29.2	179.5	51.7	0	0	0	0	113.3	D65	D65-S67 PolarHBondContact O-N 2.6Å; D65-S67 VanDerWaalsContact O-N 3.17Å
68	S	87	Confident	88.5	Confident	26 Å²	26	55.9 Å²	55.9	18%	0.182	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	-6.9	-176	56.8	0	0	0	0	114	D65	D65-S68 PolarHBondContact O-N 3.1Å; D65-S68 PolarHBondContact O-OG 2.85Å
69	R	89.4	Confident	89	Confident	45 Å²	45	51.5 Å²	51.5	17%	0.17	25%	0.251	C	S	.	.			trans	-105.9	136.1	-175.6	-65.5	-177.6	-165.6	-115.2	0.7	110.5	D65 Q136 K137 L138 S139 K140	D65-R69 IonicContact OD2-NH2 2.75Å; D65-R69 PolarHBondContact OD2-NH2 3.28Å; R69-Q136 PolarHBondContact NH1-O 3.33Å; R69-K137 PolarHBondContact NH1-O 3.11Å; R69-L138 WeakPolarHBondContact CB-O 3.45Å; R69-S139 WeakPolarHBondContact CD-O 3.38Å; R69-K140 HydrophobicContact CB-CG 3.95Å; R69-K140 WeakPolarHBondContact O-CD 3.47Å; R69-K140 WeakPolarHBondContact O-CE 3.49Å; R69-K140 WeakPolarHBondContact O-CG 3.49Å
70	P	94.1	Very high	89.5	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.013	25%	0.251	C	S	.	.			trans	-95.6	-5.9	-170.7	35.1	-36.8	0	0	0	115.9	L81 E82 A91 L138	P70-L81 HydrophobicContact CB-CD1 3.89Å; P70-L81 HydrophobicContact CG-CD1 4.23Å; P70-E82 PolarHBondContact O-N 3Å; P70-A91 HydrophobicContact CG-CB 3.76Å; P70-L138 WeakPolarHBondContact CD-O 3.26Å; P70-L138 HydrophobicContact CG-CD2 4.45Å
71	L	94.3	Very high	89.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	143.1	-170.2	-55.2	-178.1	0	0	0	115.1	I79 F80 L81 L95 L135 L138 K140	L71-I79 HydrophobicContact CB-CG2 4.49Å; L71-I79 HydrophobicContact CD2-CG2 4.1Å; L71-F80 CarbonylContact C-O 3.59Å; L71-F80 VanDerWaalsContact CA-O 3.32Å; L71-F80 WeakPolarHBondContact CA-O 3.43Å; L71-L81 HydrophobicContact CD2-CB 3.79Å; L71-L81 HydrophobicContact CD2-CD1 3.48Å; L71-L81 VanDerWaalsContact CD2-CD1 3.48Å; L71-L81 HydrophobicContact CD2-CG 4.21Å; L71-L95 HydrophobicContact CD1-CD2 4.47Å; L71-L95 HydrophobicContact CD2-CD1 3.77Å; L71-L95 HydrophobicContact CD2-CG 4.45Å; L71-L135 HydrophobicContact CD1-CD2 4.41Å; L71-L138 WeakPolarHBondContact CB-O 3.39Å; L71-L138 HydrophobicContact CD1-CB 3.49Å; L71-L138 VanDerWaalsContact CD1-CB 3.49Å; L71-L138 HydrophobicContact CD1-CD1 4.2Å; L71-L138 HydrophobicContact CG-CB 3.91Å; L71-L138 PolarHBondContact N-O 2.93Å; L71-L138 VanDerWaalsContact N-O 3.12Å; L71-K140 WeakPolarHBondContact O-CB 3.47Å; L71-K140 PolarHBondContact O-N 3.03Å
72	W	93.9	Very high	90.2	Very high	95 Å²	95	44.3 Å²	44.3	36%	0.36	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.1	158.2	-69.5	-52	0	0	0	110	I79 F80 E82 K140	W72-I79 CarbonylContact O-C 3.6Å; W72-I79 VanDerWaalsContact O-CA 3.29Å; W72-I79 WeakPolarHBondContact O-CA 3.49Å; W72-F80 HydrophobicContact CB-CB 4.24Å; W72-F80 HydrophobicContact CB-CD2 4.22Å; W72-F80 HydrophobicContact CE3-CB 4.06Å; W72-F80 PolarHBondContact N-O 3.04Å; W72-F80 PolarHBondContact O-N 2.96Å; W72-E82 WeakPolarHBondContact CH2-OE1 3.23Å; W72-K140 HydrophobicContact CZ2-CD 4.1Å
73	V	92.7	Very high	90.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	104.6	-177.7	-177.6	0	0	0	0	109	M60 I79 L135 I147	M60-V73 WeakPolarHBondContact CE-O 3.32Å; V73-I79 HydrophobicContact CG1-CG1 4.37Å; V73-I79 HydrophobicContact CG2-CG1 4.39Å; V73-I79 HydrophobicContact CG2-CG2 4.45Å; V73-L135 HydrophobicContact CG2-CD2 4.32Å; V73-I147 HydrophobicContact CG1-CG1 4.37Å; V73-I147 HydrophobicContact CG1-CG2 4.38Å
74	A	90.5	Very high	90.1	Very high	4 Å²	4	43.7 Å²	43.7	3%	0.033	21%	0.213	C	C	.	.			trans	-78.2	150.4	177.4	0	0	0	0	0	111.2	Y56 D76 G77 H78	Y56-A74 HydrophobicContact CD2-CB 4.2Å; Y56-A74 HydrophobicContact CE2-CB 3.92Å; A74-D76 WeakPolarHBondContact CB-OD1 3.37Å; A74-D76 PolarHBondContact O-N 2.97Å; A74-G77 PolarHBondContact O-N 3.38Å; A74-H78 HydrophobicContact CB-CB 4.27Å; A74-H78 WeakPolarHBondContact CB-O 3.19Å; A74-H78 PolarHBondContact N-O 3.36Å
75	P	86.6	Confident	90.2	Very high	10 Å²	10	35 Å²	35	7%	0.065	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.5	-178.2	29.7	-36.6	0	0	0	113.4	V41 Y56 Q59 G77 P144	V41-P75 WeakPolarHBondContact CB-O 3.49Å; V41-P75 WeakPolarHBondContact CG1-O 3.48Å; Y56-P75 HydrophobicContact CD1-CG 3.33Å; Y56-P75 HydrophobicContact CD2-CG 4.39Å; Y56-P75 HydrophobicContact CE1-CG 3.31Å; Y56-P75 HydrophobicContact CE2-CG 4.4Å; Y56-P75 HydrophobicContact CG-CG 3.89Å; Q59-P75 VanDerWaalsContact OE1-CB 3.27Å; Q59-P75 VanDerWaalsContact OE1-CG 3.31Å; P75-G77 PolarHBondContact O-N 3.17Å; P75-P144 HydrophobicContact CB-CB 4.07Å; P75-P144 HydrophobicContact CB-CG 4.04Å
76	D	84.1	Confident	90.3	Very high	29 Å²	29	35.8 Å²	35.8	16%	0.155	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	4.4	175.1	64.6	-6.8	0	0	0	113.4	K54 Y56 A74 H78	K54-D76 IonicContact NZ-OD2 3.41Å; Y56-D76 VanDerWaalsContact OH-CG 3.24Å; Y56-D76 PolarHBondContact OH-OD2 3.37Å; Y56-D76 VanDerWaalsContact OH-OD2 3.06Å; A74-D76 WeakPolarHBondContact CB-OD1 3.37Å; A74-D76 PolarHBondContact O-N 2.97Å; D76-H78 WeakPolarHBondContact OD1-CB 3.41Å; D76-H78 IonicContact OD1-CD2 3.88Å; D76-H78 IonicContact OD1-CG 3.87Å; D76-H78 PolarHBondContact OD1-N 2.92Å; D76-H78 IonicContact OD2-CD2 3.69Å
77	G	86	Confident	90.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	90.4	-0.7	179.4	0	0	0	0	0	114.4	A74 P75 K112 L113	A74-G77 PolarHBondContact O-N 3.38Å; P75-G77 PolarHBondContact O-N 3.17Å; G77-K112 WeakPolarHBondContact O-CA 3.44Å; G77-L113 PolarHBondContact O-N 3.15Å
78	H	90.9	Very high	90.5	Very high	31 Å²	31	30.1 Å²	30.1	14%	0.144	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	135.2	173.4	-74.4	-104.2	0	0	0	111.2	A74 D76 F80 E110 Y111	A74-H78 HydrophobicContact CB-CB 4.27Å; A74-H78 WeakPolarHBondContact CB-O 3.19Å; A74-H78 PolarHBondContact N-O 3.36Å; D76-H78 WeakPolarHBondContact OD1-CB 3.41Å; D76-H78 IonicContact OD1-CD2 3.88Å; D76-H78 IonicContact OD1-CG 3.87Å; D76-H78 PolarHBondContact OD1-N 2.92Å; D76-H78 IonicContact OD2-CD2 3.69Å; H78-F80 HydrophobicContact CB-CE2 4.49Å; H78-F80 HydrophobicContact CB-CZ 4.41Å; H78-E110 IonicContact CE1-OE1 3.55Å; H78-E110 PolarHBondContact CE1-OE1 2.91Å; H78-E110 VanDerWaalsContact CE1-OE1 3.28Å; H78-E110 IonicContact CG-OE1 3.43Å; H78-E110 IonicContact ND1-OE1 2.81Å; H78-E110 PolarHBondContact ND1-OE1 3.07Å; H78-Y111 CarbonylContact C-O 3.57Å; H78-Y111 WeakPolarHBondContact CA-O 3.31Å
79	I	94.1	Very high	90.4	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	122.6	177.1	-57	177.3	0	0	0	108.8	L71 W72 V73 L95 Y111 L113 L135	L71-I79 HydrophobicContact CB-CG2 4.49Å; L71-I79 HydrophobicContact CD2-CG2 4.1Å; W72-I79 CarbonylContact O-C 3.6Å; W72-I79 VanDerWaalsContact O-CA 3.29Å; W72-I79 WeakPolarHBondContact O-CA 3.49Å; V73-I79 HydrophobicContact CG1-CG1 4.37Å; V73-I79 HydrophobicContact CG2-CG1 4.39Å; V73-I79 HydrophobicContact CG2-CG2 4.45Å; I79-L95 HydrophobicContact CD1-CD2 3.88Å; I79-L95 HydrophobicContact CG2-CD1 3.9Å; I79-L95 HydrophobicContact CG2-CD2 4.09Å; I79-Y111 PolarHBondContact N-O 3.35Å; I79-Y111 PolarHBondContact O-N 3.41Å; I79-L113 HydrophobicContact CD1-CD1 3.83Å; I79-L113 HydrophobicContact CD1-CD2 3.94Å; I79-L113 HydrophobicContact CD1-CG 3.64Å; I79-L113 HydrophobicContact CG1-CD1 4.48Å; I79-L113 HydrophobicContact CG1-CG 4.31Å; I79-L135 HydrophobicContact CD1-CD2 4.09Å
80	F	94.7	Very high	90.3	Very high	69 Å²	69	38.4 Å²	38.4	30%	0.303	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	130.4	172.8	-54.3	-77.6	0	0	0	110	L71 W72 H78 V108 H109 E110	L71-F80 CarbonylContact C-O 3.59Å; L71-F80 VanDerWaalsContact CA-O 3.32Å; L71-F80 WeakPolarHBondContact CA-O 3.43Å; W72-F80 HydrophobicContact CB-CB 4.24Å; W72-F80 HydrophobicContact CB-CD2 4.22Å; W72-F80 HydrophobicContact CE3-CB 4.06Å; W72-F80 PolarHBondContact N-O 3.04Å; W72-F80 PolarHBondContact O-N 2.96Å; H78-F80 HydrophobicContact CB-CE2 4.49Å; H78-F80 HydrophobicContact CB-CZ 4.41Å; F80-V108 HydrophobicContact CB-CG1 4.07Å; F80-H109 CarbonylContact C-O 3.42Å; F80-H109 VanDerWaalsContact CA-O 3.3Å; F80-H109 WeakPolarHBondContact CA-O 3.49Å; F80-E110 HydrophobicContact CD1-CB 4.14Å; F80-E110 HydrophobicContact CD1-CG 3.99Å; F80-E110 HydrophobicContact CE1-CB 4.19Å; F80-E110 HydrophobicContact CE1-CG 3.66Å
81	L	94.4	Very high	90	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	124.2	-179.5	166.6	66.1	0	0	0	110.4	P70 L71 A83 Y88 A91 Q92 L95 V108 H109 Y111	P70-L81 HydrophobicContact CB-CD1 3.89Å; P70-L81 HydrophobicContact CG-CD1 4.23Å; L71-L81 HydrophobicContact CD2-CB 3.79Å; L71-L81 HydrophobicContact CD2-CD1 3.48Å; L71-L81 VanDerWaalsContact CD2-CD1 3.48Å; L71-L81 HydrophobicContact CD2-CG 4.21Å; L81-A83 PolarHBondContact O-N 3.32Å; L81-Y88 HydrophobicContact CD1-CD2 4.21Å; L81-Y88 HydrophobicContact CD2-CD2 3.83Å; L81-Y88 HydrophobicContact CD2-CE2 3.72Å; L81-Y88 HydrophobicContact CG-CD2 4.05Å; L81-Y88 HydrophobicContact CG-CE2 4.21Å; L81-A91 HydrophobicContact CD1-CB 3.64Å; L81-Q92 HydrophobicContact CD2-CB 4.09Å; L81-L95 HydrophobicContact CB-CD1 3.87Å; L81-L95 HydrophobicContact CD2-CD1 4.07Å; L81-L95 HydrophobicContact CG-CD1 4.43Å; L81-V108 CarbonylContact O-C 3.56Å; L81-V108 WeakPolarHBondContact O-CA 3.3Å; L81-H109 HydrophobicContact CB-CB 4.24Å; L81-H109 PolarHBondContact N-O 3.32Å; L81-H109 PolarHBondContact O-N 3.22Å; L81-Y111 HydrophobicContact CB-CD2 4.43Å; L81-Y111 HydrophobicContact CB-CE2 4.26Å; L81-Y111 HydrophobicContact CD2-CE2 4.01Å
82	E	94.1	Very high	89.7	Confident	15 Å²	15	39 Å²	39	7%	0.07	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	116.2	174.2	-66.9	-179.2	169.5	0	0	111.8	P70 W72 F84 K140	P70-E82 PolarHBondContact O-N 3Å; W72-E82 WeakPolarHBondContact CH2-OE1 3.23Å; E82-F84 VanDerWaalsContact C-N 3.3Å; E82-F84 HydrophobicContact CB-CD1 4.4Å; E82-F84 HydrophobicContact CB-CE1 3.9Å; E82-F84 HydrophobicContact CB-CE2 4.04Å; E82-F84 HydrophobicContact CB-CZ 3.7Å; E82-F84 VanDerWaalsContact CD-CZ 3.41Å; E82-F84 HydrophobicContact CG-CE1 4.01Å; E82-F84 HydrophobicContact CG-CE2 4.27Å; E82-F84 HydrophobicContact CG-CZ 3.61Å; E82-F84 PolarHBondContact O-N 2.81Å; E82-K140 IonicContact OE1-NZ 3.69Å; E82-K140 PolarHBondContact OE1-NZ 3.4Å; E82-K140 VanDerWaalsContact OE2-CE 3.25Å; E82-K140 WeakPolarHBondContact OE2-CE 3.21Å; E82-K140 IonicContact OE2-NZ 3.09Å; E82-K140 PolarHBondContact OE2-NZ 3.42Å
83	A	88.9	Confident	89.2	Confident	24 Å²	24	38.3 Å²	38.3	20%	0.198	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-11.1	-177	0	0	0	0	0	114.7	L81 Y88 H107	L81-A83 PolarHBondContact O-N 3.32Å; A83-Y88 VanDerWaalsContact CA-CD2 3.43Å; A83-Y88 HydrophobicContact CB-CD2 4.03Å; A83-Y88 HydrophobicContact CB-CE2 3.68Å; A83-H107 WeakPolarHBondContact CB-O 2.84Å; A83-H107 PolarHBondContact N-O 3.08Å
84	F	90.2	Very high	88.9	Confident	127 Å²	127	39 Å²	39	56%	0.557	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-1.3	179.1	53.2	-97.3	0	0	0	113.4	E82 V108	E82-F84 VanDerWaalsContact C-N 3.3Å; E82-F84 HydrophobicContact CB-CD1 4.4Å; E82-F84 HydrophobicContact CB-CE1 3.9Å; E82-F84 HydrophobicContact CB-CE2 4.04Å; E82-F84 HydrophobicContact CB-CZ 3.7Å; E82-F84 VanDerWaalsContact CD-CZ 3.41Å; E82-F84 HydrophobicContact CG-CE1 4.01Å; E82-F84 HydrophobicContact CG-CE2 4.27Å; E82-F84 HydrophobicContact CG-CZ 3.61Å; E82-F84 PolarHBondContact O-N 2.81Å; F84-V108 HydrophobicContact CE1-CG2 4.33Å
85	S	89.3	Confident	88.8	Confident	16 Å²	16	38.9 Å²	38.9	11%	0.112	19%	0.191	C	C	.	.	S	Bend	trans	-75.1	144.1	176.8	176	0	0	0	0	111.5	V87 Y88	S85-V87 PolarHBondContact O-N 2.7Å; S85-V87 PolarHBondContact OG-N 2.57Å; S85-Y88 WeakPolarHBondContact O-CB 2.89Å; S85-Y88 PolarHBondContact O-N 2.81Å
86	P	88	Confident	88.7	Confident	99 Å²	99	39.5 Å²	39.5	64%	0.643	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-25.5	174.6	25	-34.4	0	0	0	113.2	Y88 V241	P86-Y88 VanDerWaalsContact C-N 3.27Å; P86-Y88 PolarHBondContact O-N 2.88Å; P86-V241 HydrophobicContact CB-CG2 4.45Å; P86-V241 HydrophobicContact CG-CG2 3.81Å
87	V	89.4	Confident	88.5	Confident	1 Å²	1	39 Å²	39	1%	0.006	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	4.3	179.4	-164.7	0	0	0	0	111.8	S85 K89 Y90 A91 L138 V241 I245	S85-V87 PolarHBondContact O-N 2.7Å; S85-V87 PolarHBondContact OG-N 2.57Å; V87-K89 VanDerWaalsContact C-N 3.34Å; V87-K89 PolarHBondContact O-N 2.72Å; V87-Y90 HydrophobicContact CG1-CD2 4.3Å; V87-Y90 PolarHBondContact O-N 3.19Å; V87-A91 PolarHBondContact O-N 2.71Å; V87-A91 VanDerWaalsContact O-N 3.12Å; V87-L138 HydrophobicContact CG1-CD2 3.98Å; V87-V241 HydrophobicContact CG2-CG1 3.77Å; V87-I245 HydrophobicContact CG1-CG2 4.15Å
88	Y	88.4	Confident	88.6	Confident	40 Å²	40	39 Å²	39	16%	0.157	19%	0.194	C	C	.	.	H	α-helix	trans	-53.4	-45	-175.6	165.9	-110.2	0	0	0	113.7	L81 A83 S85 P86 Y90 A91 Q92 H109	L81-Y88 HydrophobicContact CD1-CD2 4.21Å; L81-Y88 HydrophobicContact CD2-CD2 3.83Å; L81-Y88 HydrophobicContact CD2-CE2 3.72Å; L81-Y88 HydrophobicContact CG-CD2 4.05Å; L81-Y88 HydrophobicContact CG-CE2 4.21Å; A83-Y88 VanDerWaalsContact CA-CD2 3.43Å; A83-Y88 HydrophobicContact CB-CD2 4.03Å; A83-Y88 HydrophobicContact CB-CE2 3.68Å; S85-Y88 WeakPolarHBondContact O-CB 2.89Å; S85-Y88 PolarHBondContact O-N 2.81Å; P86-Y88 VanDerWaalsContact C-N 3.27Å; P86-Y88 PolarHBondContact O-N 2.88Å; Y88-Y90 PolarHBondContact O-N 3.37Å; Y88-A91 PolarHBondContact O-N 3.24Å; Y88-Q92 HydrophobicContact CD2-CB 4.39Å; Y88-Q92 HydrophobicContact CE2-CB 4.11Å; Y88-Q92 HydrophobicContact CE2-CG 4.46Å; Y88-Q92 VanDerWaalsContact O-CB 3.26Å; Y88-Q92 WeakPolarHBondContact O-CB 3.24Å; Y88-Q92 PolarHBondContact O-N 3.35Å; Y88-Q92 PolarHBondContact OH-OE1 3.4Å; Y88-Q92 VanDerWaalsContact OH-OE1 3.07Å; Y88-H109 AromaticContact CZ-CE1 3.96Å; Y88-H109 PolarHBondContact OH-CE1 3.4Å
89	K	85.3	Confident	88.4	Confident	158 Å²	158	37.7 Å²	37.7	69%	0.687	19%	0.189	S	C	*	.	H	α-helix	trans	-58.9	-46.3	-175.7	-70.3	-175.3	177.7	179.5	0	112	V87 Q92 D93	V87-K89 VanDerWaalsContact C-N 3.34Å; V87-K89 PolarHBondContact O-N 2.72Å; K89-Q92 PolarHBondContact O-N 3.08Å; K89-D93 PolarHBondContact O-N 3.23Å
90	Y	85.9	Confident	87.9	Confident	86 Å²	86	40.5 Å²	40.5	34%	0.337	20%	0.202	S	C	.	.	H	α-helix	trans	-67.8	-43.7	178.5	-56.8	-77.8	0	0	0	111.7	V87 Y88 Q92 D93 F94 F246 Y249	V87-Y90 HydrophobicContact CG1-CD2 4.3Å; V87-Y90 PolarHBondContact O-N 3.19Å; Y88-Y90 PolarHBondContact O-N 3.37Å; Y90-Q92 VanDerWaalsContact C-N 3.33Å; Y90-Q92 PolarHBondContact O-N 2.88Å; Y90-D93 PolarHBondContact O-N 3.06Å; Y90-F94 WeakPolarHBondContact O-CB 3.43Å; Y90-F94 PolarHBondContact O-N 3.25Å; Y90-F246 HydrophobicContact CD2-CE1 4.44Å; Y90-F246 AromaticContact CE2-CD1 3.95Å; Y90-F246 HydrophobicContact CE2-CD1 3.95Å; Y90-F246 AromaticContact CE2-CE1 3.4Å; Y90-F246 HydrophobicContact CE2-CE1 3.4Å; Y90-F246 VanDerWaalsContact CE2-CE1 3.4Å; Y90-F246 HydrophobicContact CE2-CZ 4.17Å; Y90-F246 AromaticContact CZ-CD1 3.95Å; Y90-F246 AromaticContact CZ-CE1 3.76Å; Y90-F246 WeakPolarHBondContact OH-CE1 3.43Å; Y90-Y249 HydrophobicContact CD1-CD1 4.14Å; Y90-Y249 AromaticContact CD1-CD2 3.84Å; Y90-Y249 HydrophobicContact CD1-CD2 3.84Å; Y90-Y249 HydrophobicContact CD1-CE1 4.45Å; Y90-Y249 HydrophobicContact CD1-CE2 4.19Å; Y90-Y249 AromaticContact CD1-CG 3.84Å; Y90-Y249 HydrophobicContact CD1-CG 3.84Å; Y90-Y249 HydrophobicContact CE1-CD2 4.4Å; Y90-Y249 HydrophobicContact CE1-CG 4.35Å; Y90-Y249 AromaticContact CG-CD2 3.99Å; Y90-Y249 HydrophobicContact CG-CD2 3.99Å; Y90-Y249 AromaticContact CG-CE2 3.94Å; Y90-Y249 HydrophobicContact CG-CE2 3.94Å; Y90-Y249 HydrophobicContact CG-CG 4.42Å
91	A	89.3	Confident	87.4	Confident	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-64.8	-37.5	178	0	0	0	0	0	112.2	P70 L81 V87 Y88 L95 L138	P70-A91 HydrophobicContact CG-CB 3.76Å; L81-A91 HydrophobicContact CD1-CB 3.64Å; V87-A91 PolarHBondContact O-N 2.71Å; V87-A91 VanDerWaalsContact O-N 3.12Å; Y88-A91 PolarHBondContact O-N 3.24Å; A91-L95 WeakPolarHBondContact O-CB 3.36Å; A91-L95 WeakPolarHBondContact O-CG 3.44Å; A91-L95 PolarHBondContact O-N 3.4Å; A91-L138 HydrophobicContact CB-CD1 4.1Å
92	Q	87.2	Confident	86.8	Confident	16 Å²	16	41.2 Å²	41.2	8%	0.075	21%	0.212	C	C	.	.	H	α-helix	trans	-64.9	-47	175.3	-176.9	-172	-10	0	0	110.9	L81 Y88 K89 Y90 F94 L95 V96	L81-Q92 HydrophobicContact CD2-CB 4.09Å; Y88-Q92 HydrophobicContact CD2-CB 4.39Å; Y88-Q92 HydrophobicContact CE2-CB 4.11Å; Y88-Q92 HydrophobicContact CE2-CG 4.46Å; Y88-Q92 VanDerWaalsContact O-CB 3.26Å; Y88-Q92 WeakPolarHBondContact O-CB 3.24Å; Y88-Q92 PolarHBondContact O-N 3.35Å; Y88-Q92 PolarHBondContact OH-OE1 3.4Å; Y88-Q92 VanDerWaalsContact OH-OE1 3.07Å; K89-Q92 PolarHBondContact O-N 3.08Å; Y90-Q92 VanDerWaalsContact C-N 3.33Å; Y90-Q92 PolarHBondContact O-N 2.88Å; Q92-F94 VanDerWaalsContact C-N 3.31Å; Q92-F94 PolarHBondContact O-N 3.03Å; Q92-L95 PolarHBondContact O-N 3.03Å; Q92-V96 HydrophobicContact CG-CG2 4.28Å; Q92-V96 WeakPolarHBondContact O-CB 3.42Å; Q92-V96 WeakPolarHBondContact O-CG2 3.33Å; Q92-V96 PolarHBondContact O-N 3.17Å
93	D	82.8	Confident	86.3	Confident	79 Å²	79	41.7 Å²	41.7	42%	0.422	22%	0.217	S	C	.	.	H	α-helix	trans	-63.7	-39.6	-179.4	-83.2	-6.5	0	0	0	112.1	K89 Y90 A97 K319	K89-D93 PolarHBondContact O-N 3.23Å; Y90-D93 PolarHBondContact O-N 3.06Å; D93-A97 PolarHBondContact O-N 3.04Å; D93-K319 IonicContact OD1-NZ 2.79Å; D93-K319 PolarHBondContact OD1-NZ 3.41Å; D93-K319 IonicContact OD2-NZ 3.77Å; D93-K319 PolarHBondContact OD2-NZ 3.46Å
94	F	87.3	Confident	86	Confident	16 Å²	16	41.2 Å²	41.2	7%	0.07	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-53.5	171.2	178.4	-109.9	0	0	0	112	Y90 Q92 V96 A97 I98 I131 Y134 L135 L138	Y90-F94 WeakPolarHBondContact O-CB 3.43Å; Y90-F94 PolarHBondContact O-N 3.25Å; Q92-F94 VanDerWaalsContact C-N 3.31Å; Q92-F94 PolarHBondContact O-N 3.03Å; F94-V96 VanDerWaalsContact C-N 3.31Å; F94-V96 PolarHBondContact O-N 3.13Å; F94-A97 WeakPolarHBondContact O-CB 3.24Å; F94-A97 PolarHBondContact O-N 3.29Å; F94-I98 HydrophobicContact CD1-CD1 4.03Å; F94-I98 HydrophobicContact CD1-CG1 4.35Å; F94-I98 HydrophobicContact CD2-CG2 4.4Å; F94-I98 HydrophobicContact CE1-CD1 3.33Å; F94-I98 HydrophobicContact CE1-CG1 4.09Å; F94-I98 HydrophobicContact CE2-CD1 4.36Å; F94-I98 HydrophobicContact CE2-CG2 3.98Å; F94-I98 HydrophobicContact CZ-CD1 3.53Å; F94-I98 HydrophobicContact CZ-CG1 4.26Å; F94-I98 HydrophobicContact CZ-CG2 4.2Å; F94-I98 WeakPolarHBondContact O-CG1 3.44Å; F94-I98 PolarHBondContact O-N 3.11Å; F94-I98 VanDerWaalsContact O-N 3.11Å; F94-I131 HydrophobicContact CZ-CG2 4.36Å; F94-Y134 HydrophobicContact CD2-CD2 4.42Å; F94-Y134 HydrophobicContact CD2-CG 4.17Å; F94-Y134 VanDerWaalsContact CE2-CB 3.49Å; F94-Y134 HydrophobicContact CE2-CD2 4.02Å; F94-Y134 AromaticContact CE2-CG 3.88Å; F94-Y134 HydrophobicContact CE2-CG 3.88Å; F94-Y134 HydrophobicContact CZ-CG 4.24Å; F94-L135 HydrophobicContact CE1-CD2 3.94Å; F94-L135 HydrophobicContact CE1-CG 3.98Å; F94-L135 HydrophobicContact CZ-CG 4.23Å; F94-L138 HydrophobicContact CD1-CD1 4.04Å
95	L	88.8	Confident	85.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.1	-32.8	-179.5	-71.4	-171.4	0	0	0	113.5	L71 I79 L81 A91 Q92 A97 I98 A99 Y111	L71-L95 HydrophobicContact CD1-CD2 4.47Å; L71-L95 HydrophobicContact CD2-CD1 3.77Å; L71-L95 HydrophobicContact CD2-CG 4.45Å; I79-L95 HydrophobicContact CD1-CD2 3.88Å; I79-L95 HydrophobicContact CG2-CD1 3.9Å; I79-L95 HydrophobicContact CG2-CD2 4.09Å; L81-L95 HydrophobicContact CB-CD1 3.87Å; L81-L95 HydrophobicContact CD2-CD1 4.07Å; L81-L95 HydrophobicContact CG-CD1 4.43Å; A91-L95 WeakPolarHBondContact O-CB 3.36Å; A91-L95 WeakPolarHBondContact O-CG 3.44Å; A91-L95 PolarHBondContact O-N 3.4Å; Q92-L95 PolarHBondContact O-N 3.03Å; L95-A97 PolarHBondContact O-N 3.17Å; L95-I98 HydrophobicContact CD2-CD1 4.06Å; L95-I98 HydrophobicContact CD2-CG1 4.13Å; L95-I98 PolarHBondContact O-N 3.26Å; L95-A99 WeakPolarHBondContact O-CA 3.47Å; L95-A99 WeakPolarHBondContact O-CB 3.46Å; L95-A99 PolarHBondContact O-N 3.39Å; L95-Y111 HydrophobicContact CB-CD1 4.06Å; L95-Y111 HydrophobicContact CB-CD2 4.44Å; L95-Y111 HydrophobicContact CB-CE1 4.04Å; L95-Y111 HydrophobicContact CB-CE2 4.43Å; L95-Y111 HydrophobicContact CB-CG 4.27Å; L95-Y111 HydrophobicContact CD1-CD2 3.58Å; L95-Y111 HydrophobicContact CD1-CE2 3.9Å; L95-Y111 HydrophobicContact CD1-CG 3.96Å
96	V	83.4	Confident	85.2	Confident	23 Å²	23	42.6 Å²	42.6	14%	0.139	23%	0.225	C	C	.	.	H	α-helix	trans	-66	-25.3	174.7	168.1	0	0	0	0	111.7	Q92 F94 Y111	Q92-V96 HydrophobicContact CG-CG2 4.28Å; Q92-V96 WeakPolarHBondContact O-CB 3.42Å; Q92-V96 WeakPolarHBondContact O-CG2 3.33Å; Q92-V96 PolarHBondContact O-N 3.17Å; F94-V96 VanDerWaalsContact C-N 3.31Å; F94-V96 PolarHBondContact O-N 3.13Å; V96-Y111 HydrophobicContact CG2-CE1 4.41Å
97	A	81.3	Confident	85.2	Confident	19 Å²	19	44 Å²	44	16%	0.157	22%	0.222	C	C	.	.	H	α-helix	trans	-81.1	-38.8	173.8	0	0	0	0	0	112.6	D93 F94 L95 L126	D93-A97 PolarHBondContact O-N 3.04Å; F94-A97 WeakPolarHBondContact O-CB 3.24Å; F94-A97 PolarHBondContact O-N 3.29Å; L95-A97 PolarHBondContact O-N 3.17Å; A97-L126 HydrophobicContact CB-CD1 4.06Å
98	I	87.5	Confident	85.2	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-103	-15.9	-169.1	69.1	154.4	0	0	0	116	F94 L95 L113 S117 A121 L126 I131 L135	F94-I98 HydrophobicContact CD1-CD1 4.03Å; F94-I98 HydrophobicContact CD1-CG1 4.35Å; F94-I98 HydrophobicContact CD2-CG2 4.4Å; F94-I98 HydrophobicContact CE1-CD1 3.33Å; F94-I98 HydrophobicContact CE1-CG1 4.09Å; F94-I98 HydrophobicContact CE2-CD1 4.36Å; F94-I98 HydrophobicContact CE2-CG2 3.98Å; F94-I98 HydrophobicContact CZ-CD1 3.53Å; F94-I98 HydrophobicContact CZ-CG1 4.26Å; F94-I98 HydrophobicContact CZ-CG2 4.2Å; F94-I98 WeakPolarHBondContact O-CG1 3.44Å; F94-I98 PolarHBondContact O-N 3.11Å; F94-I98 VanDerWaalsContact O-N 3.11Å; L95-I98 HydrophobicContact CD2-CD1 4.06Å; L95-I98 HydrophobicContact CD2-CG1 4.13Å; L95-I98 PolarHBondContact O-N 3.26Å; I98-L113 HydrophobicContact CD1-CD2 4.09Å; I98-L113 HydrophobicContact CG1-CD2 4.44Å; I98-S117 WeakPolarHBondContact O-CB 3.47Å; I98-S117 PolarHBondContact O-OG 3.37Å; I98-A121 HydrophobicContact CB-CB 4.39Å; I98-A121 HydrophobicContact CG2-CB 3.93Å; I98-L126 HydrophobicContact CG2-CD1 3.98Å; I98-I131 HydrophobicContact CD1-CG2 4.27Å; I98-I131 HydrophobicContact CG2-CG1 4.22Å; I98-I131 HydrophobicContact CG2-CG2 4.39Å; I98-L135 HydrophobicContact CD1-CD1 4.38Å; I98-L135 HydrophobicContact CD1-CD2 4.09Å; I98-L135 HydrophobicContact CD1-CG 4.3Å
99	A	86.8	Confident	85.4	Confident	3 Å²	3	44.5 Å²	44.5	3%	0.025	23%	0.23	C	C	.	.			trans	-137.7	158	-170.8	0	0	0	0	0	112.5	L95 Y111 L113	L95-A99 WeakPolarHBondContact O-CA 3.47Å; L95-A99 WeakPolarHBondContact O-CB 3.46Å; L95-A99 PolarHBondContact O-N 3.39Å; A99-Y111 HydrophobicContact CB-CD1 4.26Å; A99-L113 HydrophobicContact CB-CD2 3.94Å
100	E	82.9	Confident	85.6	Confident	59 Å²	59	39.2 Å²	39.2	28%	0.276	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	134	172.4	-77.8	168.5	-153.9	0	0	110.6	Y111 K112 T114	E100-Y111 CarbonylContact O-C 3.54Å; E100-Y111 VanDerWaalsContact O-CA 3.28Å; E100-Y111 WeakPolarHBondContact O-CA 3.44Å; E100-K112 PolarHBondContact N-O 3.23Å; E100-K112 PolarHBondContact O-N 2.65Å; E100-T114 PolarHBondContact OE1-OG1 3.08Å
101	P	84.1	Confident	85.9	Confident	27 Å²	27	35.1 Å²	35.1	18%	0.175	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	136	174	32.9	-36.6	0	0	0	110.7	R104 Y111 E487	P101-R104 HydrophobicContact CB-CG 4.33Å; P101-R104 VanDerWaalsContact CB-NE 3.28Å; P101-R104 VanDerWaalsContact CG-NH2 3.3Å; P101-Y111 HydrophobicContact CB-CD1 4.18Å; P101-Y111 HydrophobicContact CB-CE1 4.08Å; P101-E487 VanDerWaalsContact CD-OE2 3.23Å; P101-E487 WeakPolarHBondContact CD-OE2 3.43Å; P101-E487 WeakPolarHBondContact CG-OE1 3.36Å; P101-E487 WeakPolarHBondContact CG-OE2 3.48Å
102	V	83.1	Confident	85.8	Confident	58 Å²	58	38.3 Å²	38.3	35%	0.352	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	-56.2	171.5	-175.4	0	0	0	0	109.1	E110 K112	V102-E110 HydrophobicContact CB-CB 4.38Å; V102-E110 HydrophobicContact CB-CG 4.08Å; V102-E110 HydrophobicContact CG2-CG 4.44Å; V102-E110 PolarHBondContact N-O 2.91Å; V102-K112 HydrophobicContact CG2-CB 3.61Å
103	C	81.9	Confident	85.9	Confident	25 Å²	25	37.9 Å²	37.9	17%	0.169	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.3	-178.6	-62	0	0	0	0	110	E110	C103-E110 HydrophobicContact CB-CB 4.09Å; C103-E110 PolarHBondContact N-O 3.17Å; C103-E110 VanDerWaalsContact N-O 3.16Å; C103-E110 PolarHBondContact O-N 3.1Å
104	R	82.2	Confident	85.8	Confident	14 Å²	14	35.4 Å²	35.4	5%	0.053	19%	0.191	C	C	.	.			trans	-131.8	71.8	176.1	-66.3	180	178.9	165.2	-1.7	110.8	P101 M491 D679	P101-R104 HydrophobicContact CB-CG 4.33Å; P101-R104 VanDerWaalsContact CB-NE 3.28Å; P101-R104 VanDerWaalsContact CG-NH2 3.3Å; R104-M491 WeakPolarHBondContact O-CE 3.35Å; R104-D679 PolarHBondContact N-O 3.21Å
105	P	81	Confident	85.4	Confident	55 Å²	55	34.9 Å²	34.9	36%	0.357	19%	0.19	S	C	.	.			trans	-77.8	173	171	36.2	-37.3	0	0	0	110.9	H107 V108 H109	P105-H107 VanDerWaalsContact C-N 3.26Å; P105-H107 PolarHBondContact O-N 3.34Å; P105-H107 VanDerWaalsContact O-N 3.11Å; P105-V108 WeakPolarHBondContact CD-O 3.43Å; P105-V108 WeakPolarHBondContact CG-O 3.36Å; P105-H109 PolarHBondContact O-CD2 3.01Å; P105-H109 PolarHBondContact O-NE2 3.24Å
106	N	81.7	Confident	84.7	Confident	116 Å²	116	37 Å²	37	62%	0.62	20%	0.198	S	C	*	.	S	Bend	trans	-60.9	-26.4	-171.9	-69.9	-17.2	0	0	0	115.5	M491	N106-M491 WeakPolarHBondContact OD1-CE 3.32Å
107	H	88.1	Confident	84.5	Confident	128 Å²	128	36.3 Å²	36.3	59%	0.593	19%	0.194	S	C	*	.	S	Bend	trans	-112.7	-48	-168.8	-63	-55.5	0	0	0	114.3	A83 P105	A83-H107 WeakPolarHBondContact CB-O 2.84Å; A83-H107 PolarHBondContact N-O 3.08Å; P105-H107 VanDerWaalsContact C-N 3.26Å; P105-H107 PolarHBondContact O-N 3.34Å; P105-H107 VanDerWaalsContact O-N 3.11Å
108	V	91.3	Very high	84.5	Confident	49 Å²	49	35.4 Å²	35.4	30%	0.297	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	111.3	-175.4	-177.8	0	0	0	0	109.1	F80 L81 F84 P105	F80-V108 HydrophobicContact CB-CG1 4.07Å; L81-V108 CarbonylContact O-C 3.56Å; L81-V108 WeakPolarHBondContact O-CA 3.3Å; F84-V108 HydrophobicContact CE1-CG2 4.33Å; P105-V108 WeakPolarHBondContact CD-O 3.43Å; P105-V108 WeakPolarHBondContact CG-O 3.36Å
109	H	90.7	Very high	84	Confident	4 Å²	4	36.5 Å²	36.5	2%	0.019	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	148.2	178.4	-64.1	-163.7	0	0	0	110.2	F80 L81 Y88 P105 Y111	F80-H109 CarbonylContact C-O 3.42Å; F80-H109 VanDerWaalsContact CA-O 3.3Å; F80-H109 WeakPolarHBondContact CA-O 3.49Å; L81-H109 HydrophobicContact CB-CB 4.24Å; L81-H109 PolarHBondContact N-O 3.32Å; L81-H109 PolarHBondContact O-N 3.22Å; Y88-H109 AromaticContact CZ-CE1 3.96Å; Y88-H109 PolarHBondContact OH-CE1 3.4Å; P105-H109 PolarHBondContact O-CD2 3.01Å; P105-H109 PolarHBondContact O-NE2 3.24Å; H109-Y111 HydrophobicContact CB-CD2 4.16Å; H109-Y111 HydrophobicContact CB-CE2 3.55Å
110	E	91.2	Very high	83.4	Confident	46 Å²	46	36.9 Å²	36.9	22%	0.215	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	125.8	175	-173.7	-178.1	171.9	0	0	109.4	H78 F80 V102 C103	H78-E110 IonicContact CE1-OE1 3.55Å; H78-E110 PolarHBondContact CE1-OE1 2.91Å; H78-E110 VanDerWaalsContact CE1-OE1 3.28Å; H78-E110 IonicContact CG-OE1 3.43Å; H78-E110 IonicContact ND1-OE1 2.81Å; H78-E110 PolarHBondContact ND1-OE1 3.07Å; F80-E110 HydrophobicContact CD1-CB 4.14Å; F80-E110 HydrophobicContact CD1-CG 3.99Å; F80-E110 HydrophobicContact CE1-CB 4.19Å; F80-E110 HydrophobicContact CE1-CG 3.66Å; V102-E110 HydrophobicContact CB-CB 4.38Å; V102-E110 HydrophobicContact CB-CG 4.08Å; V102-E110 HydrophobicContact CG2-CG 4.44Å; V102-E110 PolarHBondContact N-O 2.91Å; C103-E110 HydrophobicContact CB-CB 4.09Å; C103-E110 PolarHBondContact N-O 3.17Å; C103-E110 VanDerWaalsContact N-O 3.16Å; C103-E110 PolarHBondContact O-N 3.1Å
111	Y	90.8	Very high	83.3	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	160	175.7	-67.8	-100.7	0	0	0	109.3	H78 I79 L81 L95 V96 A99 E100 P101 H109	H78-Y111 CarbonylContact C-O 3.57Å; H78-Y111 WeakPolarHBondContact CA-O 3.31Å; I79-Y111 PolarHBondContact N-O 3.35Å; I79-Y111 PolarHBondContact O-N 3.41Å; L81-Y111 HydrophobicContact CB-CD2 4.43Å; L81-Y111 HydrophobicContact CB-CE2 4.26Å; L81-Y111 HydrophobicContact CD2-CE2 4.01Å; L95-Y111 HydrophobicContact CB-CD1 4.06Å; L95-Y111 HydrophobicContact CB-CD2 4.44Å; L95-Y111 HydrophobicContact CB-CE1 4.04Å; L95-Y111 HydrophobicContact CB-CE2 4.43Å; L95-Y111 HydrophobicContact CB-CG 4.27Å; L95-Y111 HydrophobicContact CD1-CD2 3.58Å; L95-Y111 HydrophobicContact CD1-CE2 3.9Å; L95-Y111 HydrophobicContact CD1-CG 3.96Å; V96-Y111 HydrophobicContact CG2-CE1 4.41Å; A99-Y111 HydrophobicContact CB-CD1 4.26Å; E100-Y111 CarbonylContact O-C 3.54Å; E100-Y111 VanDerWaalsContact O-CA 3.28Å; E100-Y111 WeakPolarHBondContact O-CA 3.44Å; P101-Y111 HydrophobicContact CB-CD1 4.18Å; P101-Y111 HydrophobicContact CB-CE1 4.08Å; H109-Y111 HydrophobicContact CB-CD2 4.16Å; H109-Y111 HydrophobicContact CB-CE2 3.55Å
112	K	88.9	Confident	83.1	Confident	67 Å²	67	34 Å²	34	29%	0.291	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	128.4	175.8	-176	169.1	-174.5	158.1	0	110	G77 E100 V102 T114	G77-K112 WeakPolarHBondContact O-CA 3.44Å; E100-K112 PolarHBondContact N-O 3.23Å; E100-K112 PolarHBondContact O-N 2.65Å; V102-K112 HydrophobicContact CG2-CB 3.61Å; K112-T114 HydrophobicContact CG-CG2 4.22Å; K112-T114 PolarHBondContact O-N 3.04Å
113	L	87.6	Confident	82.4	Confident	7 Å²	7	32 Å²	32	4%	0.037	17%	0.169	C	C	.	.			trans	-74.1	122	168.3	-68.8	176.1	0	0	0	109	G77 I79 I98 A99 L118 I147	G77-L113 PolarHBondContact O-N 3.15Å; I79-L113 HydrophobicContact CD1-CD1 3.83Å; I79-L113 HydrophobicContact CD1-CD2 3.94Å; I79-L113 HydrophobicContact CD1-CG 3.64Å; I79-L113 HydrophobicContact CG1-CD1 4.48Å; I79-L113 HydrophobicContact CG1-CG 4.31Å; I98-L113 HydrophobicContact CD1-CD2 4.09Å; I98-L113 HydrophobicContact CG1-CD2 4.44Å; A99-L113 HydrophobicContact CB-CD2 3.94Å; L113-L118 HydrophobicContact CD2-CD2 4.26Å; L113-I147 HydrophobicContact CD1-CG2 3.92Å
114	T	81.6	Confident	81.8	Confident	27 Å²	27	32.6 Å²	32.6	17%	0.166	17%	0.171	C	C	.	.			trans	-122.8	153.1	172.1	70.4	0	0	0	0	108.7	E100 K112 Y116 S117 L118	E100-T114 PolarHBondContact OE1-OG1 3.08Å; K112-T114 HydrophobicContact CG-CG2 4.22Å; K112-T114 PolarHBondContact O-N 3.04Å; T114-Y116 PolarHBondContact O-N 3.41Å; T114-S117 PolarHBondContact N-OG 2.89Å; T114-S117 PolarHBondContact O-N 3.23Å; T114-S117 VanDerWaalsContact O-N 3.11Å; T114-S117 PolarHBondContact O-OG 3.12Å; T114-S117 WeakPolarHBondContact OG1-CB 3.32Å; T114-S117 PolarHBondContact OG1-N 2.83Å; T114-S117 PolarHBondContact OG1-OG 3.29Å; T114-L118 PolarHBondContact O-N 3.27Å; T114-L118 VanDerWaalsContact O-N 3.12Å
115	A	78.1	Confident	81.3	Confident	6 Å²	6	34.2 Å²	34.2	5%	0.05	19%	0.193	C	C	.	.	H	α-helix	trans	-54.5	-41.1	175	0	0	0	0	0	111.1	A37 S117 L118 Y119 F150	A37-A115 HydrophobicContact CB-CB 3.81Å; A115-S117 PolarHBondContact O-N 3.04Å; A115-L118 PolarHBondContact O-N 3.42Å; A115-Y119 HydrophobicContact CB-CE1 4.23Å; A115-Y119 HydrophobicContact CB-CE2 4.1Å; A115-Y119 WeakPolarHBondContact O-CD1 3.4Å; A115-Y119 WeakPolarHBondContact O-CD2 3.48Å; A115-Y119 WeakPolarHBondContact O-CE1 3.47Å; A115-Y119 PolarHBondContact O-N 3.16Å; A115-F150 HydrophobicContact CB-CZ 4.15Å
116	Y	75.3	Confident	81.3	Confident	44 Å²	44	32.7 Å²	32.7	17%	0.173	18%	0.181	C	C	.	.	H	α-helix	trans	-60.9	-42.9	176.2	-63.9	-71.1	0	0	0	114	V33 A37 T114 L118 Y119 A120 V475 N478	V33-Y116 WeakPolarHBondContact CG1-OH 3.32Å; A37-Y116 HydrophobicContact CB-CE2 4.05Å; T114-Y116 PolarHBondContact O-N 3.41Å; Y116-L118 VanDerWaalsContact C-N 3.31Å; Y116-L118 PolarHBondContact O-N 3.43Å; Y116-Y119 HydrophobicContact CD1-CD2 4.16Å; Y116-Y119 HydrophobicContact CD1-CE2 4.37Å; Y116-Y119 PolarHBondContact O-N 2.7Å; Y116-A120 PolarHBondContact O-N 2.87Å; Y116-V475 HydrophobicContact CE1-CG1 4.22Å; Y116-V475 HydrophobicContact CE2-CG1 3.72Å; Y116-V475 HydrophobicContact CE2-CG2 4.42Å; Y116-V475 WeakPolarHBondContact OH-CG1 3.3Å; Y116-N478 HydrophobicContact CD1-CB 4.23Å
117	S	78.6	Confident	81.3	Confident	8 Å²	8	32.7 Å²	32.7	6%	0.056	18%	0.178	C	C	.	.	H	α-helix	trans	-64.5	-37.4	177.4	63.9	0	0	0	0	112.1	I98 T114 A115 A120 A121	I98-S117 WeakPolarHBondContact O-CB 3.47Å; I98-S117 PolarHBondContact O-OG 3.37Å; T114-S117 PolarHBondContact N-OG 2.89Å; T114-S117 PolarHBondContact O-N 3.23Å; T114-S117 VanDerWaalsContact O-N 3.11Å; T114-S117 PolarHBondContact O-OG 3.12Å; T114-S117 WeakPolarHBondContact OG1-CB 3.32Å; T114-S117 PolarHBondContact OG1-N 2.83Å; T114-S117 PolarHBondContact OG1-OG 3.29Å; A115-S117 PolarHBondContact O-N 3.04Å; S117-A120 WeakPolarHBondContact O-CB 3.45Å; S117-A120 PolarHBondContact O-N 3.34Å; S117-A121 PolarHBondContact O-N 3.44Å
118	L	82.1	Confident	81.2	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-69.3	-36.6	174.4	-66.6	174	0	0	0	111.8	L113 T114 A115 Y116 A120 A121 V122 F150 I151 C154 T155	L113-L118 HydrophobicContact CD2-CD2 4.26Å; T114-L118 PolarHBondContact O-N 3.27Å; T114-L118 VanDerWaalsContact O-N 3.12Å; A115-L118 PolarHBondContact O-N 3.42Å; Y116-L118 VanDerWaalsContact C-N 3.31Å; Y116-L118 PolarHBondContact O-N 3.43Å; L118-A120 VanDerWaalsContact C-N 3.32Å; L118-A120 PolarHBondContact O-N 2.94Å; L118-A121 WeakPolarHBondContact O-CB 3.43Å; L118-A121 PolarHBondContact O-N 3.47Å; L118-V122 WeakPolarHBondContact O-CG2 3.28Å; L118-V122 PolarHBondContact O-N 2.89Å; L118-F150 HydrophobicContact CD1-CD1 4.04Å; L118-F150 HydrophobicContact CD1-CE1 3.81Å; L118-I151 HydrophobicContact CD1-CG1 4.04Å; L118-I151 HydrophobicContact CD2-CG1 4.32Å; L118-C154 HydrophobicContact CB-CB 4.31Å; L118-C154 HydrophobicContact CD1-CB 3.93Å; L118-T155 HydrophobicContact CB-CG2 4.43Å
119	Y	76.4	Confident	81	Confident	23 Å²	23	28.7 Å²	28.7	9%	0.09	17%	0.165	C	C	.	.	H	α-helix	trans	-63.4	-40.5	173.9	-55.9	-19.9	0	0	0	111.7	P34 A115 Y116 A121 S123 C154 Y158	P34-Y119 HydrophobicContact CG-CE2 4.23Å; A115-Y119 HydrophobicContact CB-CE1 4.23Å; A115-Y119 HydrophobicContact CB-CE2 4.1Å; A115-Y119 WeakPolarHBondContact O-CD1 3.4Å; A115-Y119 WeakPolarHBondContact O-CD2 3.48Å; A115-Y119 WeakPolarHBondContact O-CE1 3.47Å; A115-Y119 PolarHBondContact O-N 3.16Å; Y116-Y119 HydrophobicContact CD1-CD2 4.16Å; Y116-Y119 HydrophobicContact CD1-CE2 4.37Å; Y116-Y119 PolarHBondContact O-N 2.7Å; Y119-A121 VanDerWaalsContact C-N 3.33Å; Y119-S123 WeakPolarHBondContact O-CB 3.35Å; Y119-S123 PolarHBondContact O-N 2.88Å; Y119-S123 PolarHBondContact O-OG 3.41Å; Y119-C154 WeakPolarHBondContact CD1-O 3.32Å; Y119-C154 HydrophobicContact CE1-CB 3.87Å; Y119-C154 VanDerWaalsContact CE1-O 3.3Å; Y119-C154 WeakPolarHBondContact CE1-O 3.16Å; Y119-Y158 AromaticContact CD1-CD1 3.2Å; Y119-Y158 HydrophobicContact CD1-CD1 3.2Å; Y119-Y158 AromaticContact CD1-CD2 3.96Å; Y119-Y158 HydrophobicContact CD1-CD2 3.96Å; Y119-Y158 AromaticContact CD1-CE1 3.63Å; Y119-Y158 HydrophobicContact CD1-CE1 3.63Å; Y119-Y158 HydrophobicContact CD1-CE2 4.28Å; Y119-Y158 AromaticContact CD1-CG 3.44Å; Y119-Y158 HydrophobicContact CD1-CG 3.44Å; Y119-Y158 VanDerWaalsContact CD1-CG 3.44Å; Y119-Y158 AromaticContact CD2-CD1 3.95Å; Y119-Y158 HydrophobicContact CD2-CD1 3.95Å; Y119-Y158 AromaticContact CD2-CE1 3.87Å; Y119-Y158 HydrophobicContact CD2-CE1 3.87Å; Y119-Y158 AromaticContact CE1-CD1 3.27Å; Y119-Y158 HydrophobicContact CE1-CD1 3.27Å; Y119-Y158 AromaticContact CE1-CD2 3.55Å; Y119-Y158 HydrophobicContact CE1-CD2 3.55Å; Y119-Y158 AromaticContact CE1-CE1 3.19Å; Y119-Y158 HydrophobicContact CE1-CE1 3.19Å; Y119-Y158 AromaticContact CE1-CE2 3.45Å; Y119-Y158 HydrophobicContact CE1-CE2 3.45Å; Y119-Y158 VanDerWaalsContact CE1-CE2 3.45Å; Y119-Y158 AromaticContact CE1-CG 3.49Å; Y119-Y158 HydrophobicContact CE1-CG 3.49Å; Y119-Y158 VanDerWaalsContact CE1-CG 3.49Å; Y119-Y158 AromaticContact CE1-CZ 3.32Å; Y119-Y158 AromaticContact CE2-CD1 3.98Å; Y119-Y158 HydrophobicContact CE2-CD1 3.98Å; Y119-Y158 AromaticContact CE2-CE1 3.43Å; Y119-Y158 HydrophobicContact CE2-CE1 3.43Å; Y119-Y158 VanDerWaalsContact CE2-CE1 3.43Å; Y119-Y158 AromaticContact CE2-CZ 3.99Å; Y119-Y158 AromaticContact CG-CD1 3.6Å; Y119-Y158 HydrophobicContact CG-CD1 3.6Å; Y119-Y158 AromaticContact CG-CE1 3.97Å; Y119-Y158 HydrophobicContact CG-CE1 3.97Å; Y119-Y158 HydrophobicContact CG-CG 4.24Å; Y119-Y158 AromaticContact CZ-CD1 3.66Å; Y119-Y158 AromaticContact CZ-CE1 3.07Å; Y119-Y158 AromaticContact CZ-CE2 3.8Å; Y119-Y158 AromaticContact CZ-CZ 3.19Å; Y119-Y158 WeakPolarHBondContact OH-CE1 3.27Å; Y119-Y158 PolarHBondContact OH-OH 3.37Å
120	A	74.9	Confident	80.9	Confident	11 Å²	11	30 Å²	30	9%	0.091	17%	0.172	C	C	.	.	H	α-helix	trans	-61.7	-43.5	174.1	0	0	0	0	0	110.8	Y116 S117 L118 S123 V124 P483	Y116-A120 PolarHBondContact O-N 2.87Å; S117-A120 WeakPolarHBondContact O-CB 3.45Å; S117-A120 PolarHBondContact O-N 3.34Å; L118-A120 VanDerWaalsContact C-N 3.32Å; L118-A120 PolarHBondContact O-N 2.94Å; A120-S123 WeakPolarHBondContact O-CB 3.45Å; A120-S123 PolarHBondContact O-N 2.79Å; A120-V124 WeakPolarHBondContact O-CG2 3.46Å; A120-V124 PolarHBondContact O-N 3.45Å; A120-P483 HydrophobicContact CB-CB 3.71Å
121	A	79.8	Confident	80.8	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.3	-48	177.8	0	0	0	0	0	113.2	I98 S117 L118 Y119 S123 V124 G125 L126 I131	I98-A121 HydrophobicContact CB-CB 4.39Å; I98-A121 HydrophobicContact CG2-CB 3.93Å; S117-A121 PolarHBondContact O-N 3.44Å; L118-A121 WeakPolarHBondContact O-CB 3.43Å; L118-A121 PolarHBondContact O-N 3.47Å; Y119-A121 VanDerWaalsContact C-N 3.33Å; A121-S123 VanDerWaalsContact C-N 3.3Å; A121-S123 PolarHBondContact O-N 2.9Å; A121-V124 WeakPolarHBondContact O-CB 3.26Å; A121-V124 PolarHBondContact O-N 3.29Å; A121-V124 VanDerWaalsContact O-N 3.09Å; A121-G125 PolarHBondContact O-N 3Å; A121-L126 HydrophobicContact CB-CD1 4.17Å; A121-L126 PolarHBondContact O-N 2.81Å; A121-I131 HydrophobicContact CB-CD1 4.28Å
122	V	79.2	Confident	80.8	Confident	25 Å²	25	28.7 Å²	28.7	15%	0.152	17%	0.167	C	C	.	.	H	α-helix	trans	-65.3	-37.4	177.3	177.3	0	0	0	0	110.9	L118 V124 G125 T155 Y158	L118-V122 WeakPolarHBondContact O-CG2 3.28Å; L118-V122 PolarHBondContact O-N 2.89Å; V122-V124 PolarHBondContact O-N 2.9Å; V122-G125 PolarHBondContact O-N 3.33Å; V122-G125 VanDerWaalsContact O-N 3.07Å; V122-T155 HydrophobicContact CG2-CG2 3.53Å; V122-Y158 WeakPolarHBondContact CG1-O 3.49Å
123	S	70	Confident	80.9	Confident	17 Å²	17	28.9 Å²	28.9	12%	0.119	17%	0.169	C	C	.	.	H	α-helix	trans	-64.8	-26.4	175	-56.5	0	0	0	0	112.5	Y119 A120 A121 G125 R331	Y119-S123 WeakPolarHBondContact O-CB 3.35Å; Y119-S123 PolarHBondContact O-N 2.88Å; Y119-S123 PolarHBondContact O-OG 3.41Å; A120-S123 WeakPolarHBondContact O-CB 3.45Å; A120-S123 PolarHBondContact O-N 2.79Å; A121-S123 VanDerWaalsContact C-N 3.3Å; A121-S123 PolarHBondContact O-N 2.9Å; S123-G125 VanDerWaalsContact C-N 3.33Å; S123-R331 PolarHBondContact O-NE 3.13Å; S123-R331 PolarHBondContact O-NH1 3.39Å; S123-R331 PolarHBondContact O-NH2 3.37Å; S123-R331 VanDerWaalsContact O-NH2 3.16Å
124	V	68.8	Low	81	Confident	37 Å²	37	28.7 Å²	28.7	22%	0.224	17%	0.168	C	C	.	.	H	α-helix	trans	-69.5	-35.2	173.6	171.4	0	0	0	0	110.8	A120 A121 V122 R331	A120-V124 WeakPolarHBondContact O-CG2 3.46Å; A120-V124 PolarHBondContact O-N 3.45Å; A121-V124 WeakPolarHBondContact O-CB 3.26Å; A121-V124 PolarHBondContact O-N 3.29Å; A121-V124 VanDerWaalsContact O-N 3.09Å; V122-V124 PolarHBondContact O-N 2.9Å; V124-R331 PolarHBondContact O-NH1 3.23Å; V124-R331 VanDerWaalsContact O-NH1 3.12Å
125	G	71.8	Confident	81.4	Confident	49 Å²	49	27.5 Å²	27.5	51%	0.505	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	131.7	-0.9	-179.2	0	0	0	0	0	114	A121 V122 S123	A121-G125 PolarHBondContact O-N 3Å; V122-G125 PolarHBondContact O-N 3.33Å; V122-G125 VanDerWaalsContact O-N 3.07Å; S123-G125 VanDerWaalsContact C-N 3.33Å
126	L	79.6	Confident	82	Confident	22 Å²	22	31.6 Å²	31.6	12%	0.115	18%	0.179	C	C	.	.			trans	-71.6	129.3	-177.9	-66.4	172.4	0	0	0	111.3	A97 I98 A121 I131 M252	A97-L126 HydrophobicContact CB-CD1 4.06Å; I98-L126 HydrophobicContact CG2-CD1 3.98Å; A121-L126 HydrophobicContact CB-CD1 4.17Å; A121-L126 PolarHBondContact O-N 2.81Å; L126-I131 HydrophobicContact CB-CD1 4.24Å; L126-I131 HydrophobicContact CB-CG1 4.18Å; L126-M252 HydrophobicContact CD2-CE 4.46Å
127	Q	83.4	Confident	82.7	Confident	116 Å²	116	31.7 Å²	31.7	54%	0.542	18%	0.18	S	C	.	.			trans	-81.7	161.7	176.9	-52.3	-167.9	-0.8	0	0	111.8	S129 D130 I131	Q127-S129 VanDerWaalsContact C-N 3.33Å; Q127-S129 PolarHBondContact O-N 2.94Å; Q127-D130 VanDerWaalsContact CB-OD2 3.26Å; Q127-D130 WeakPolarHBondContact CB-OD2 3.41Å; Q127-D130 PolarHBondContact N-OD2 3.17Å; Q127-D130 VanDerWaalsContact N-OD2 3.15Å; Q127-D130 PolarHBondContact O-N 2.95Å; Q127-I131 WeakPolarHBondContact O-CG1 3.34Å; Q127-I131 PolarHBondContact O-N 3.31Å
128	T	86.1	Confident	83.2	Confident	31 Å²	31	31.4 Å²	31.4	19%	0.19	18%	0.178	C	C	.	.	H	α-helix	trans	-64.7	-38.7	-178.5	-55.4	0	0	0	0	112.1	D130 V132 I151 K152 T155	T128-D130 VanDerWaalsContact C-N 3.33Å; T128-V132 WeakPolarHBondContact O-CG2 3.47Å; T128-V132 PolarHBondContact O-N 3.48Å; T128-I151 HydrophobicContact CG2-CG2 4.39Å; T128-K152 HydrophobicContact CG2-CG 3.94Å; T128-T155 WeakPolarHBondContact CB-OG1 3.37Å; T128-T155 WeakPolarHBondContact CG2-OG1 3.47Å; T128-T155 WeakPolarHBondContact OG1-CB 3.49Å; T128-T155 PolarHBondContact OG1-OG1 2.82Å
129	S	87	Confident	83.8	Confident	62 Å²	62	31.4 Å²	31.4	43%	0.434	18%	0.178	S	C	.	.	H	α-helix	trans	-56.7	-49.9	175.5	38	0	0	0	0	110.8	Q127 I131 V132 E133	Q127-S129 VanDerWaalsContact C-N 3.33Å; Q127-S129 PolarHBondContact O-N 2.94Å; S129-I131 PolarHBondContact O-N 3.08Å; S129-V132 PolarHBondContact O-N 2.93Å; S129-E133 WeakPolarHBondContact O-CB 3.1Å; S129-E133 PolarHBondContact O-N 3.13Å
130	D	87.2	Confident	84.5	Confident	32 Å²	32	31.2 Å²	31.2	17%	0.171	18%	0.177	C	C	.	.	H	α-helix	trans	-65.5	-46.4	-171	-41.1	-19.6	0	0	0	109.4	Q127 T128 V132 E133 Y134	Q127-D130 VanDerWaalsContact CB-OD2 3.26Å; Q127-D130 WeakPolarHBondContact CB-OD2 3.41Å; Q127-D130 PolarHBondContact N-OD2 3.17Å; Q127-D130 VanDerWaalsContact N-OD2 3.15Å; Q127-D130 PolarHBondContact O-N 2.95Å; T128-D130 VanDerWaalsContact C-N 3.33Å; D130-V132 VanDerWaalsContact C-N 3.3Å; D130-V132 PolarHBondContact O-N 3.28Å; D130-E133 PolarHBondContact O-N 2.9Å; D130-Y134 HydrophobicContact CB-CD2 4.39Å; D130-Y134 WeakPolarHBondContact O-CB 3.35Å; D130-Y134 WeakPolarHBondContact O-CD2 3.48Å; D130-Y134 PolarHBondContact O-N 2.96Å
131	I	89.7	Confident	85.3	Confident	1 Å²	1	31.1 Å²	31.1	1%	0.005	18%	0.176	C	C	.	.	H	α-helix	trans	-56.8	-45.8	178.5	-62.9	168.3	0	0	0	111	F94 I98 A121 L126 Q127 S129 L135 I151 T155	F94-I131 HydrophobicContact CZ-CG2 4.36Å; I98-I131 HydrophobicContact CD1-CG2 4.27Å; I98-I131 HydrophobicContact CG2-CG1 4.22Å; I98-I131 HydrophobicContact CG2-CG2 4.39Å; A121-I131 HydrophobicContact CB-CD1 4.28Å; L126-I131 HydrophobicContact CB-CD1 4.24Å; L126-I131 HydrophobicContact CB-CG1 4.18Å; Q127-I131 WeakPolarHBondContact O-CG1 3.34Å; Q127-I131 PolarHBondContact O-N 3.31Å; S129-I131 PolarHBondContact O-N 3.08Å; I131-L135 HydrophobicContact CG2-CD1 4.23Å; I131-L135 WeakPolarHBondContact O-CB 3.46Å; I131-L135 WeakPolarHBondContact O-CG 3.49Å; I131-L135 PolarHBondContact O-N 3.44Å; I131-L135 VanDerWaalsContact O-N 3.1Å; I131-I151 HydrophobicContact CG2-CD1 4.27Å; I131-I151 HydrophobicContact CG2-CG2 4.17Å; I131-T155 HydrophobicContact CD1-CG2 4.3Å
132	V	91.1	Very high	85.8	Confident	17 Å²	17	32.8 Å²	32.8	10%	0.103	19%	0.188	C	C	.	.	H	α-helix	trans	-68.6	-42.8	-179.6	175.1	0	0	0	0	110.9	T128 S129 D130 L135 Q136 V148 I151	T128-V132 WeakPolarHBondContact O-CG2 3.47Å; T128-V132 PolarHBondContact O-N 3.48Å; S129-V132 PolarHBondContact O-N 2.93Å; D130-V132 VanDerWaalsContact C-N 3.3Å; D130-V132 PolarHBondContact O-N 3.28Å; V132-L135 PolarHBondContact O-N 2.93Å; V132-Q136 WeakPolarHBondContact O-CG 3.11Å; V132-Q136 PolarHBondContact O-N 3.1Å; V132-V148 HydrophobicContact CG1-CG1 4.23Å; V132-V148 HydrophobicContact CG1-CG2 4.38Å; V132-V148 HydrophobicContact CG2-CG1 4.38Å; V132-I151 HydrophobicContact CG2-CD1 4.48Å; V132-I151 HydrophobicContact CG2-CG2 4.05Å
133	E	90.7	Very high	86.3	Confident	71 Å²	71	32.4 Å²	32.4	33%	0.332	19%	0.185	S	C	.	.	H	α-helix	trans	-63.5	-46.1	179.8	-171.7	178.8	161.8	0	0	111.6	S129 D130 L135 Q136 K137 Y248	S129-E133 WeakPolarHBondContact O-CB 3.1Å; S129-E133 PolarHBondContact O-N 3.13Å; D130-E133 PolarHBondContact O-N 2.9Å; E133-L135 PolarHBondContact O-N 2.94Å; E133-Q136 CarbonylContact O-C 3.47Å; E133-Q136 PolarHBondContact O-N 2.94Å; E133-K137 HydrophobicContact CG-CD 4.16Å; E133-K137 WeakPolarHBondContact O-CB 3.35Å; E133-K137 WeakPolarHBondContact O-CG 3.47Å; E133-K137 PolarHBondContact O-N 2.91Å; E133-K137 WeakPolarHBondContact OE1-CE 3.4Å; E133-K137 IonicContact OE1-NZ 2.88Å; E133-K137 PolarHBondContact OE1-NZ 3.34Å; E133-Y248 PolarHBondContact OE2-OH 3.1Å
134	Y	89.1	Confident	87.2	Confident	4 Å²	4	32 Å²	32	2%	0.016	18%	0.183	C	C	.	.	H	α-helix	trans	-62.2	-42.9	175.8	-87	-70.8	0	0	0	112.7	F94 D130 Q136 K137 L138 Y248 Y249 M252	F94-Y134 HydrophobicContact CD2-CD2 4.42Å; F94-Y134 HydrophobicContact CD2-CG 4.17Å; F94-Y134 VanDerWaalsContact CE2-CB 3.49Å; F94-Y134 HydrophobicContact CE2-CD2 4.02Å; F94-Y134 AromaticContact CE2-CG 3.88Å; F94-Y134 HydrophobicContact CE2-CG 3.88Å; F94-Y134 HydrophobicContact CZ-CG 4.24Å; D130-Y134 HydrophobicContact CB-CD2 4.39Å; D130-Y134 WeakPolarHBondContact O-CB 3.35Å; D130-Y134 WeakPolarHBondContact O-CD2 3.48Å; D130-Y134 PolarHBondContact O-N 2.96Å; Y134-Q136 VanDerWaalsContact C-N 3.28Å; Y134-Q136 PolarHBondContact O-N 3.07Å; Y134-K137 PolarHBondContact O-N 2.95Å; Y134-L138 WeakPolarHBondContact O-CB 3.48Å; Y134-L138 WeakPolarHBondContact O-CG 3.08Å; Y134-L138 PolarHBondContact O-N 2.77Å; Y134-Y248 HydrophobicContact CD1-CE1 4.32Å; Y134-Y248 HydrophobicContact CD2-CE1 4.27Å; Y134-Y248 AromaticContact CE1-CD1 3.65Å; Y134-Y248 HydrophobicContact CE1-CD1 3.65Å; Y134-Y248 AromaticContact CE1-CE1 3.61Å; Y134-Y248 HydrophobicContact CE1-CE1 3.61Å; Y134-Y248 HydrophobicContact CE2-CD1 4.33Å; Y134-Y248 AromaticContact CE2-CE1 3.54Å; Y134-Y248 HydrophobicContact CE2-CE1 3.54Å; Y134-Y248 AromaticContact CZ-CD1 3.51Å; Y134-Y248 AromaticContact CZ-CE1 3.17Å; Y134-Y248 VanDerWaalsContact OH-CD1 3.23Å; Y134-Y248 WeakPolarHBondContact OH-CD1 3.35Å; Y134-Y248 WeakPolarHBondContact OH-CE1 3.39Å; Y134-Y249 HydrophobicContact CD1-CE1 4.1Å; Y134-Y249 AromaticContact CD1-CZ 3.94Å; Y134-Y249 HydrophobicContact CE1-CD1 4.01Å; Y134-Y249 AromaticContact CE1-CE1 3.31Å; Y134-Y249 HydrophobicContact CE1-CE1 3.31Å; Y134-Y249 HydrophobicContact CE1-CE2 4.24Å; Y134-Y249 AromaticContact CE1-CZ 3.43Å; Y134-Y249 VanDerWaalsContact CE1-CZ 3.43Å; Y134-Y249 AromaticContact CZ-CE1 3.91Å; Y134-M252 HydrophobicContact CE2-CE 3.59Å; Y134-M252 HydrophobicContact CE2-SD 3.3Å; Y134-M252 WeakPolarHBondContact CE2-SD 3.46Å; Y134-M252 VanDerWaalsContact CZ-SD 3.5Å; Y134-M252 WeakPolarHBondContact OH-CE 3.22Å; Y134-M252 VanDerWaalsContact OH-CG 3.24Å; Y134-M252 WeakPolarHBondContact OH-CG 3.39Å; Y134-M252 PolarHBondContact OH-SD 3.42Å
135	L	91.3	Very high	88	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-59.5	-42.5	174.8	-77.6	172.4	0	0	0	110.8	L71 V73 I79 F94 I98 I131 V132 E133 S139 V143 I151	L71-L135 HydrophobicContact CD1-CD2 4.41Å; V73-L135 HydrophobicContact CG2-CD2 4.32Å; I79-L135 HydrophobicContact CD1-CD2 4.09Å; F94-L135 HydrophobicContact CE1-CD2 3.94Å; F94-L135 HydrophobicContact CE1-CG 3.98Å; F94-L135 HydrophobicContact CZ-CG 4.23Å; I98-L135 HydrophobicContact CD1-CD1 4.38Å; I98-L135 HydrophobicContact CD1-CD2 4.09Å; I98-L135 HydrophobicContact CD1-CG 4.3Å; I131-L135 HydrophobicContact CG2-CD1 4.23Å; I131-L135 WeakPolarHBondContact O-CB 3.46Å; I131-L135 WeakPolarHBondContact O-CG 3.49Å; I131-L135 PolarHBondContact O-N 3.44Å; I131-L135 VanDerWaalsContact O-N 3.1Å; V132-L135 PolarHBondContact O-N 2.93Å; E133-L135 PolarHBondContact O-N 2.94Å; L135-S139 WeakPolarHBondContact O-CB 3.43Å; L135-S139 PolarHBondContact O-N 3.16Å; L135-S139 PolarHBondContact O-OG 3.1Å; L135-S139 VanDerWaalsContact O-OG 3.12Å; L135-V143 HydrophobicContact CB-CG2 4.3Å; L135-I151 HydrophobicContact CD1-CD1 3.51Å
136	Q	90.3	Very high	88.7	Confident	93 Å²	93	35.5 Å²	35.5	44%	0.435	20%	0.196	S	C	.	.	H	α-helix	trans	-67.5	-36.8	176.3	-71	177.4	-2.5	0	0	113	K63 R69 V132 E133 Y134 V143	K63-Q136 PolarHBondContact NZ-O 3.13Å; R69-Q136 PolarHBondContact NH1-O 3.33Å; V132-Q136 WeakPolarHBondContact O-CG 3.11Å; V132-Q136 PolarHBondContact O-N 3.1Å; E133-Q136 CarbonylContact O-C 3.47Å; E133-Q136 PolarHBondContact O-N 2.94Å; Y134-Q136 VanDerWaalsContact C-N 3.28Å; Y134-Q136 PolarHBondContact O-N 3.07Å; Q136-V143 HydrophobicContact CG-CB 4.45Å; Q136-V143 HydrophobicContact CG-CG2 3.84Å
137	K	89	Confident	89.1	Confident	46 Å²	46	34.5 Å²	34.5	20%	0.2	19%	0.191	C	C	.	.	H	α-helix	trans	-69.5	-38.6	176.5	-77.6	175.8	168.8	170.7	0	111.9	R69 E133 Y134 Y248	R69-K137 PolarHBondContact NH1-O 3.11Å; E133-K137 HydrophobicContact CG-CD 4.16Å; E133-K137 WeakPolarHBondContact O-CB 3.35Å; E133-K137 WeakPolarHBondContact O-CG 3.47Å; E133-K137 PolarHBondContact O-N 2.91Å; E133-K137 WeakPolarHBondContact OE1-CE 3.4Å; E133-K137 IonicContact OE1-NZ 2.88Å; E133-K137 PolarHBondContact OE1-NZ 3.34Å; Y134-K137 PolarHBondContact O-N 2.95Å; K137-Y248 HydrophobicContact CD-CD1 4.38Å; K137-Y248 HydrophobicContact CD-CE1 4.39Å
138	L	90.5	Very high	89.4	Confident	2 Å²	2	30 Å²	30	1%	0.01	17%	0.171	C	C	.	.	H	α-helix	trans	-91.6	-13.8	-176.5	-64.3	174.2	0	0	0	114.5	R69 P70 L71 V87 A91 F94 Y134	R69-L138 WeakPolarHBondContact CB-O 3.45Å; P70-L138 WeakPolarHBondContact CD-O 3.26Å; P70-L138 HydrophobicContact CG-CD2 4.45Å; L71-L138 WeakPolarHBondContact CB-O 3.39Å; L71-L138 HydrophobicContact CD1-CB 3.49Å; L71-L138 VanDerWaalsContact CD1-CB 3.49Å; L71-L138 HydrophobicContact CD1-CD1 4.2Å; L71-L138 HydrophobicContact CG-CB 3.91Å; L71-L138 PolarHBondContact N-O 2.93Å; L71-L138 VanDerWaalsContact N-O 3.12Å; V87-L138 HydrophobicContact CG1-CD2 3.98Å; A91-L138 HydrophobicContact CB-CD1 4.1Å; F94-L138 HydrophobicContact CD1-CD1 4.04Å; Y134-L138 WeakPolarHBondContact O-CB 3.48Å; Y134-L138 WeakPolarHBondContact O-CG 3.08Å; Y134-L138 PolarHBondContact O-N 2.77Å
139	S	92.8	Very high	89.4	Confident	0 Å²	0	35 Å²	35	0%	0	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-82.5	130.9	-177.4	74	0	0	0	0	114.2	K63 R69 L135 T141	K63-S139 WeakPolarHBondContact CD-O 3.28Å; K63-S139 PolarHBondContact NZ-O 3.4Å; K63-S139 PolarHBondContact NZ-OG 3.29Å; R69-S139 WeakPolarHBondContact CD-O 3.38Å; L135-S139 WeakPolarHBondContact O-CB 3.43Å; L135-S139 PolarHBondContact O-N 3.16Å; L135-S139 PolarHBondContact O-OG 3.1Å; L135-S139 VanDerWaalsContact O-OG 3.12Å; S139-T141 VanDerWaalsContact C-N 3.29Å; S139-T141 WeakPolarHBondContact CB-O 3.05Å; S139-T141 PolarHBondContact OG-O 2.75Å
140	K	92.9	Very high	89.4	Confident	18 Å²	18	33 Å²	33	8%	0.078	18%	0.176	C	C	.	.	S	Bend	trans	-64.4	-33.2	170.1	-68.1	-171.7	172.6	-167.9	0	112.6	K63 H66 R69 L71 W72 E82	K63-K140 WeakPolarHBondContact CB-O 3.01Å; K63-K140 PolarHBondContact N-O 2.01Å; H66-K140 HydrophobicContact CB-CB 4.25Å; H66-K140 HydrophobicContact CB-CG 4.5Å; H66-K140 VanDerWaalsContact O-CD 3.23Å; H66-K140 WeakPolarHBondContact O-CD 3.04Å; H66-K140 WeakPolarHBondContact O-CE 3.11Å; H66-K140 WeakPolarHBondContact O-CG 3.43Å; R69-K140 HydrophobicContact CB-CG 3.95Å; R69-K140 WeakPolarHBondContact O-CD 3.47Å; R69-K140 WeakPolarHBondContact O-CE 3.49Å; R69-K140 WeakPolarHBondContact O-CG 3.49Å; L71-K140 WeakPolarHBondContact O-CB 3.47Å; L71-K140 PolarHBondContact O-N 3.03Å; W72-K140 HydrophobicContact CZ2-CD 4.1Å; E82-K140 IonicContact OE1-NZ 3.69Å; E82-K140 PolarHBondContact OE1-NZ 3.4Å; E82-K140 VanDerWaalsContact OE2-CE 3.25Å; E82-K140 WeakPolarHBondContact OE2-CE 3.21Å; E82-K140 IonicContact OE2-NZ 3.09Å; E82-K140 PolarHBondContact OE2-NZ 3.42Å
141	T	91.8	Very high	89.4	Confident	9 Å²	9	31.6 Å²	31.6	6%	0.055	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-106	164.3	-179.8	53	0	0	0	0	111.3	M60 Q61 L62 K63 S139	M60-T141 HydrophobicContact CB-CG2 4.24Å; M60-T141 HydrophobicContact CE-CG2 3.99Å; M60-T141 VanDerWaalsContact CE-OG1 3.27Å; M60-T141 WeakPolarHBondContact CE-OG1 3.48Å; Q61-T141 CarbonylContact O-C 3.56Å; Q61-T141 WeakPolarHBondContact O-CA 3.28Å; L62-T141 HydrophobicContact CD1-CG2 4.24Å; K63-T141 VanDerWaalsContact CE-O 3.28Å; K63-T141 WeakPolarHBondContact CE-O 3.3Å; K63-T141 PolarHBondContact NZ-O 3.1Å; S139-T141 VanDerWaalsContact C-N 3.29Å; S139-T141 WeakPolarHBondContact CB-O 3.05Å; S139-T141 PolarHBondContact OG-O 2.75Å
142	S	89.4	Confident	89.3	Confident	36 Å²	36	37 Å²	37	25%	0.252	19%	0.192	S	C	.	.	P	Polyproline II helix	trans	-55.6	138.6	163.4	56.7	0	0	0	0	109.8	Q61 P144	Q61-S142 PolarHBondContact N-OG 3.47Å; Q61-S142 PolarHBondContact O-N 3.4Å; S142-P144 WeakPolarHBondContact O-CD 3.44Å
143	V	89.6	Confident	88.9	Confident	17 Å²	17	39.6 Å²	39.6	10%	0.103	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-75.2	125.3	173.3	-178.7	0	0	0	0	107.2	L135 Q136 I147 V148	L135-V143 HydrophobicContact CB-CG2 4.3Å; Q136-V143 HydrophobicContact CG-CB 4.45Å; Q136-V143 HydrophobicContact CG-CG2 3.84Å; V143-I147 HydrophobicContact CG1-CB 4.29Å; V143-I147 HydrophobicContact CG1-CG2 4.17Å; V143-V148 HydrophobicContact CG1-CG2 3.86Å
144	P	89.5	Confident	88.3	Confident	9 Å²	9	36.2 Å²	36.2	6%	0.058	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-61.5	141.9	178.9	-24	34.6	0	0	0	112.3	M60 P75 S142 G146 I147 V148	M60-P144 HydrophobicContact CG-CG 4.18Å; P75-P144 HydrophobicContact CB-CB 4.07Å; P75-P144 HydrophobicContact CB-CG 4.04Å; S142-P144 WeakPolarHBondContact O-CD 3.44Å; P144-G146 PolarHBondContact O-N 2.94Å; P144-I147 HydrophobicContact CB-CG1 4.38Å; P144-I147 WeakPolarHBondContact O-CB 3.04Å; P144-I147 PolarHBondContact O-N 3.33Å; P144-V148 PolarHBondContact O-N 3.1Å
145	D	85.8	Confident	87.8	Confident	126 Å²	126	36.3 Å²	36.3	67%	0.674	19%	0.19	S	C	*	.	H	α-helix	trans	-60.4	-34.1	-178.6	-67.8	-38.1	0	0	0	112.6	I147 V148 Q149	D145-I147 VanDerWaalsContact C-N 3.28Å; D145-I147 PolarHBondContact O-N 3.09Å; D145-V148 PolarHBondContact O-N 3.48Å; D145-Q149 WeakPolarHBondContact O-CG 3.23Å; D145-Q149 PolarHBondContact O-N 3.12Å
146	G	85.8	Confident	87.1	Confident	33 Å²	33	40.1 Å²	40.1	34%	0.34	21%	0.213	S	C	.	.	H	α-helix	trans	-59.1	-37.3	175.9	0	0	0	0	0	112.9	P144 F150	P144-G146 PolarHBondContact O-N 2.94Å; G146-F150 VanDerWaalsContact O-CB 3.23Å; G146-F150 WeakPolarHBondContact O-CB 3.31Å; G146-F150 PolarHBondContact O-N 3.22Å
147	I	88.4	Confident	86.2	Confident	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.1	-42.2	176	-64.4	-67.9	0	0	0	110.8	V41 V73 L113 V143 P144 D145 Q149 F150 I151	V41-I147 HydrophobicContact CB-CD1 4.46Å; V41-I147 HydrophobicContact CG1-CD1 4.03Å; V41-I147 HydrophobicContact CG2-CD1 3.91Å; V73-I147 HydrophobicContact CG1-CG1 4.37Å; V73-I147 HydrophobicContact CG1-CG2 4.38Å; L113-I147 HydrophobicContact CD1-CG2 3.92Å; V143-I147 HydrophobicContact CG1-CB 4.29Å; V143-I147 HydrophobicContact CG1-CG2 4.17Å; P144-I147 HydrophobicContact CB-CG1 4.38Å; P144-I147 WeakPolarHBondContact O-CB 3.04Å; P144-I147 PolarHBondContact O-N 3.33Å; D145-I147 VanDerWaalsContact C-N 3.28Å; D145-I147 PolarHBondContact O-N 3.09Å; I147-Q149 VanDerWaalsContact C-N 3.35Å; I147-Q149 PolarHBondContact O-N 3.01Å; I147-F150 PolarHBondContact O-N 3.45Å; I147-I151 HydrophobicContact CG2-CD1 3.77Å; I147-I151 HydrophobicContact CG2-CG1 4.36Å; I147-I151 VanDerWaalsContact O-CG1 3.27Å; I147-I151 WeakPolarHBondContact O-CG1 3.17Å; I147-I151 PolarHBondContact O-N 3.39Å
148	V	89.4	Confident	85.3	Confident	21 Å²	21	34.4 Å²	34.4	13%	0.127	19%	0.188	C	C	.	.	H	α-helix	trans	-63.9	-42.5	178.4	179.9	0	0	0	0	111	V132 V143 P144 D145 I151 K152	V132-V148 HydrophobicContact CG1-CG1 4.23Å; V132-V148 HydrophobicContact CG1-CG2 4.38Å; V132-V148 HydrophobicContact CG2-CG1 4.38Å; V143-V148 HydrophobicContact CG1-CG2 3.86Å; P144-V148 PolarHBondContact O-N 3.1Å; D145-V148 PolarHBondContact O-N 3.48Å; V148-I151 PolarHBondContact O-N 3.41Å; V148-K152 HydrophobicContact CG1-CD 4.32Å; V148-K152 WeakPolarHBondContact O-CG 3.49Å; V148-K152 PolarHBondContact O-N 2.87Å
149	Q	86.9	Confident	84.4	Confident	138 Å²	138	35.5 Å²	35.5	65%	0.645	20%	0.201	S	C	*	.	H	α-helix	trans	-63.9	-43.6	175.3	-71.1	176.1	6.5	0	0	111.4	D145 I147 K152 L153	D145-Q149 WeakPolarHBondContact O-CG 3.23Å; D145-Q149 PolarHBondContact O-N 3.12Å; I147-Q149 VanDerWaalsContact C-N 3.35Å; I147-Q149 PolarHBondContact O-N 3.01Å; Q149-K152 PolarHBondContact O-N 3.5Å; Q149-L153 WeakPolarHBondContact O-CB 3.18Å; Q149-L153 PolarHBondContact O-N 2.9Å
150	F	85.6	Confident	83.7	Confident	20 Å²	20	38.1 Å²	38.1	9%	0.088	21%	0.212	C	C	.	.	H	α-helix	trans	-61.4	-44.8	177.1	-179.3	-105.7	0	0	0	112.3	K39 V41 A115 L118 G146 I147 L153 C154	K39-F150 WeakPolarHBondContact O-CE2 3.25Å; V41-F150 HydrophobicContact CG2-CB 4.44Å; V41-F150 HydrophobicContact CG2-CD1 4.16Å; V41-F150 HydrophobicContact CG2-CD2 4.39Å; V41-F150 HydrophobicContact CG2-CG 4.07Å; A115-F150 HydrophobicContact CB-CZ 4.15Å; L118-F150 HydrophobicContact CD1-CD1 4.04Å; L118-F150 HydrophobicContact CD1-CE1 3.81Å; G146-F150 VanDerWaalsContact O-CB 3.23Å; G146-F150 WeakPolarHBondContact O-CB 3.31Å; G146-F150 PolarHBondContact O-N 3.22Å; I147-F150 PolarHBondContact O-N 3.45Å; F150-L153 PolarHBondContact O-N 3.45Å; F150-C154 WeakPolarHBondContact O-CB 3.3Å; F150-C154 PolarHBondContact O-N 3.23Å; F150-C154 PolarHBondContact O-SG 3.19Å
151	I	87.9	Confident	83.2	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-59.9	-53	175.8	-68.4	165.8	0	0	0	109.7	L118 T128 I131 V132 L135 I147 V148 L153 C154 T155	L118-I151 HydrophobicContact CD1-CG1 4.04Å; L118-I151 HydrophobicContact CD2-CG1 4.32Å; T128-I151 HydrophobicContact CG2-CG2 4.39Å; I131-I151 HydrophobicContact CG2-CD1 4.27Å; I131-I151 HydrophobicContact CG2-CG2 4.17Å; V132-I151 HydrophobicContact CG2-CD1 4.48Å; V132-I151 HydrophobicContact CG2-CG2 4.05Å; L135-I151 HydrophobicContact CD1-CD1 3.51Å; I147-I151 HydrophobicContact CG2-CD1 3.77Å; I147-I151 HydrophobicContact CG2-CG1 4.36Å; I147-I151 VanDerWaalsContact O-CG1 3.27Å; I147-I151 WeakPolarHBondContact O-CG1 3.17Å; I147-I151 PolarHBondContact O-N 3.39Å; V148-I151 PolarHBondContact O-N 3.41Å; I151-L153 VanDerWaalsContact C-N 3.28Å; I151-L153 PolarHBondContact O-N 3.13Å; I151-C154 PolarHBondContact O-N 3.39Å; I151-T155 HydrophobicContact CG2-CG2 4.04Å; I151-T155 WeakPolarHBondContact O-CB 3.26Å; I151-T155 WeakPolarHBondContact O-CG2 3.3Å; I151-T155 PolarHBondContact O-N 2.66Å; I151-T155 PolarHBondContact O-OG1 3.48Å
152	K	86.8	Confident	82.7	Confident	114 Å²	114	39.6 Å²	39.6	50%	0.496	22%	0.217	S	C	.	.	H	α-helix	trans	-57	-41	179.7	-73.6	177.2	178.7	-177.9	0	112.8	T128 V148 Q149 C154 V156	T128-K152 HydrophobicContact CG2-CG 3.94Å; V148-K152 HydrophobicContact CG1-CD 4.32Å; V148-K152 WeakPolarHBondContact O-CG 3.49Å; V148-K152 PolarHBondContact O-N 2.87Å; Q149-K152 PolarHBondContact O-N 3.5Å; K152-C154 VanDerWaalsContact C-N 3.34Å; K152-V156 WeakPolarHBondContact O-CB 3.11Å; K152-V156 WeakPolarHBondContact O-CG2 3.48Å; K152-V156 PolarHBondContact O-N 3.22Å
153	L	83	Confident	82.4	Confident	73 Å²	73	38.4 Å²	38.4	38%	0.382	21%	0.208	S	C	.	.	H	α-helix	trans	-62.4	-42.9	176.8	-175.5	68.6	0	0	0	111.4	A36 Q149 F150 I151	A36-L153 HydrophobicContact CB-CD2 4.28Å; Q149-L153 WeakPolarHBondContact O-CB 3.18Å; Q149-L153 PolarHBondContact O-N 2.9Å; F150-L153 PolarHBondContact O-N 3.45Å; I151-L153 VanDerWaalsContact C-N 3.28Å; I151-L153 PolarHBondContact O-N 3.13Å
154	C	78.6	Confident	81.9	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-81.9	-15.2	-176.1	-65.1	0	0	0	0	114.4	L118 Y119 F150 I151 K152 Y158	L118-C154 HydrophobicContact CB-CB 4.31Å; L118-C154 HydrophobicContact CD1-CB 3.93Å; Y119-C154 WeakPolarHBondContact CD1-O 3.32Å; Y119-C154 HydrophobicContact CE1-CB 3.87Å; Y119-C154 VanDerWaalsContact CE1-O 3.3Å; Y119-C154 WeakPolarHBondContact CE1-O 3.16Å; F150-C154 WeakPolarHBondContact O-CB 3.3Å; F150-C154 PolarHBondContact O-N 3.23Å; F150-C154 PolarHBondContact O-SG 3.19Å; I151-C154 PolarHBondContact O-N 3.39Å; K152-C154 VanDerWaalsContact C-N 3.34Å; C154-Y158 WeakPolarHBondContact O-CB 3.37Å; C154-Y158 WeakPolarHBondContact O-CD2 3.39Å; C154-Y158 VanDerWaalsContact O-CG 3.25Å
155	T	78.2	Confident	81.2	Confident	5 Å²	5	38.5 Å²	38.5	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-109.8	-25.7	-173.8	57.5	0	0	0	0	113.7	L118 V122 T128 I131 I151	L118-T155 HydrophobicContact CB-CG2 4.43Å; V122-T155 HydrophobicContact CG2-CG2 3.53Å; T128-T155 WeakPolarHBondContact CB-OG1 3.37Å; T128-T155 WeakPolarHBondContact CG2-OG1 3.47Å; T128-T155 WeakPolarHBondContact OG1-CB 3.49Å; T128-T155 PolarHBondContact OG1-OG1 2.82Å; I131-T155 HydrophobicContact CD1-CG2 4.3Å; I151-T155 HydrophobicContact CG2-CG2 4.04Å; I151-T155 WeakPolarHBondContact O-CB 3.26Å; I151-T155 WeakPolarHBondContact O-CG2 3.3Å; I151-T155 PolarHBondContact O-N 2.66Å; I151-T155 PolarHBondContact O-OG1 3.48Å
156	V	76.8	Confident	80.5	Confident	81 Å²	81	34.8 Å²	34.8	49%	0.491	19%	0.186	S	C	.	.	H	α-helix	trans	-70.8	-34.5	-174.7	169.3	0	0	0	0	113.2	K152 K160	K152-V156 WeakPolarHBondContact O-CB 3.11Å; K152-V156 WeakPolarHBondContact O-CG2 3.48Å; K152-V156 PolarHBondContact O-N 3.22Å; V156-K160 WeakPolarHBondContact O-CE 3.38Å; V156-K160 PolarHBondContact O-NZ 3.39Å
157	S	70.4	Confident	79.8	Confident	14 Å²	14	39 Å²	39	10%	0.098	20%	0.197	C	C	.	.	S	Bend	trans	-93.1	-15.8	179.8	59.2	0	0	0	0	113.3	E285 Y286	S157-E285 WeakPolarHBondContact CB-O 3.35Å; S157-E285 PolarHBondContact OG-O 3.41Å; S157-Y286 WeakPolarHBondContact O-CD1 3.23Å; S157-Y286 WeakPolarHBondContact O-CE1 3.49Å
158	Y	71.4	Confident	78.8	Confident	5 Å²	5	41.7 Å²	41.7	2%	0.02	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	150.2	-169	-69.5	-99.2	0	0	0	112.4	P34 Y119 V122 C154 K160 E285 P287	P34-Y158 WeakPolarHBondContact CB-OH 3.35Å; Y119-Y158 AromaticContact CD1-CD1 3.2Å; Y119-Y158 HydrophobicContact CD1-CD1 3.2Å; Y119-Y158 AromaticContact CD1-CD2 3.96Å; Y119-Y158 HydrophobicContact CD1-CD2 3.96Å; Y119-Y158 AromaticContact CD1-CE1 3.63Å; Y119-Y158 HydrophobicContact CD1-CE1 3.63Å; Y119-Y158 HydrophobicContact CD1-CE2 4.28Å; Y119-Y158 AromaticContact CD1-CG 3.44Å; Y119-Y158 HydrophobicContact CD1-CG 3.44Å; Y119-Y158 VanDerWaalsContact CD1-CG 3.44Å; Y119-Y158 AromaticContact CD2-CD1 3.95Å; Y119-Y158 HydrophobicContact CD2-CD1 3.95Å; Y119-Y158 AromaticContact CD2-CE1 3.87Å; Y119-Y158 HydrophobicContact CD2-CE1 3.87Å; Y119-Y158 AromaticContact CE1-CD1 3.27Å; Y119-Y158 HydrophobicContact CE1-CD1 3.27Å; Y119-Y158 AromaticContact CE1-CD2 3.55Å; Y119-Y158 HydrophobicContact CE1-CD2 3.55Å; Y119-Y158 AromaticContact CE1-CE1 3.19Å; Y119-Y158 HydrophobicContact CE1-CE1 3.19Å; Y119-Y158 AromaticContact CE1-CE2 3.45Å; Y119-Y158 HydrophobicContact CE1-CE2 3.45Å; Y119-Y158 VanDerWaalsContact CE1-CE2 3.45Å; Y119-Y158 AromaticContact CE1-CG 3.49Å; Y119-Y158 HydrophobicContact CE1-CG 3.49Å; Y119-Y158 VanDerWaalsContact CE1-CG 3.49Å; Y119-Y158 AromaticContact CE1-CZ 3.32Å; Y119-Y158 AromaticContact CE2-CD1 3.98Å; Y119-Y158 HydrophobicContact CE2-CD1 3.98Å; Y119-Y158 AromaticContact CE2-CE1 3.43Å; Y119-Y158 HydrophobicContact CE2-CE1 3.43Å; Y119-Y158 VanDerWaalsContact CE2-CE1 3.43Å; Y119-Y158 AromaticContact CE2-CZ 3.99Å; Y119-Y158 AromaticContact CG-CD1 3.6Å; Y119-Y158 HydrophobicContact CG-CD1 3.6Å; Y119-Y158 AromaticContact CG-CE1 3.97Å; Y119-Y158 HydrophobicContact CG-CE1 3.97Å; Y119-Y158 HydrophobicContact CG-CG 4.24Å; Y119-Y158 AromaticContact CZ-CD1 3.66Å; Y119-Y158 AromaticContact CZ-CE1 3.07Å; Y119-Y158 AromaticContact CZ-CE2 3.8Å; Y119-Y158 AromaticContact CZ-CZ 3.19Å; Y119-Y158 WeakPolarHBondContact OH-CE1 3.27Å; Y119-Y158 PolarHBondContact OH-OH 3.37Å; V122-Y158 WeakPolarHBondContact CG1-O 3.49Å; C154-Y158 WeakPolarHBondContact O-CB 3.37Å; C154-Y158 WeakPolarHBondContact O-CD2 3.39Å; C154-Y158 VanDerWaalsContact O-CG 3.25Å; Y158-K160 PolarHBondContact O-N 2.93Å; Y158-E285 HydrophobicContact CE2-CB 4.49Å; Y158-P287 HydrophobicContact CD1-CG 3.13Å; Y158-P287 HydrophobicContact CE1-CB 4.42Å; Y158-P287 HydrophobicContact CE1-CG 3.26Å; Y158-P287 HydrophobicContact CG-CG 4.24Å
159	G	71.1	Confident	78.1	Confident	26 Å²	26	47 Å²	47	27%	0.268	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.6	0	179.1	0	0	0	0	0	115.8
160	K	78	Confident	77.7	Confident	55 Å²	55	41.9 Å²	41.9	24%	0.239	20%	0.204	C	C	.	.	S	Bend	trans	-84	-26.1	-178.5	-64.6	-171.4	170.6	170.2	0	113.9	V156 Y158 S174 F176 V179	V156-K160 WeakPolarHBondContact O-CE 3.38Å; V156-K160 PolarHBondContact O-NZ 3.39Å; Y158-K160 PolarHBondContact O-N 2.93Å; K160-S174 WeakPolarHBondContact O-CA 3.49Å; K160-S174 WeakPolarHBondContact O-CB 3.47Å; K160-S174 PolarHBondContact O-OG 3.22Å; K160-F176 HydrophobicContact CB-CD2 3.88Å; K160-F176 HydrophobicContact CB-CE2 4.33Å; K160-F176 HydrophobicContact CD-CD2 3.89Å; K160-F176 HydrophobicContact CD-CE2 4.15Å; K160-F176 HydrophobicContact CD-CG 4.41Å; K160-F176 HydrophobicContact CG-CD2 3.72Å; K160-F176 HydrophobicContact CG-CE2 3.8Å; K160-V179 HydrophobicContact CB-CG2 4.35Å; K160-V179 HydrophobicContact CD-CG2 3.91Å
161	V	82.9	Confident	77.6	Confident	1 Å²	1	41.8 Å²	41.8	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	125.7	-175.8	-166.7	0	0	0	0	110.2	V172 V179 L183 Y286 L288 L289	V161-V172 HydrophobicContact CG1-CG1 3.19Å; V161-V179 HydrophobicContact CG2-CG1 3.48Å; V161-V179 VanDerWaalsContact CG2-CG1 3.48Å; V161-L183 HydrophobicContact CG1-CD2 4.41Å; V161-Y286 HydrophobicContact CG2-CD1 4.15Å; V161-Y286 HydrophobicContact CG2-CG 4.48Å; V161-L288 HydrophobicContact CB-CD2 4.15Å; V161-L288 HydrophobicContact CG1-CD2 3.4Å; V161-L288 VanDerWaalsContact CG1-CD2 3.4Å; V161-L289 PolarHBondContact O-N 3.33Å; V161-L289 VanDerWaalsContact O-N 3.09Å
162	K	82	Confident	77.5	Confident	56 Å²	56	41.8 Å²	41.8	24%	0.243	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	143.4	-178.7	-58.2	-175.6	179.6	-164.2	0	109.7	V164 V172 E173 L289 E291	K162-V164 HydrophobicContact CB-CG2 4.36Å; K162-V172 CarbonylContact O-C 3.56Å; K162-V172 WeakPolarHBondContact O-CA 3.47Å; K162-E173 HydrophobicContact CB-CB 4.4Å; K162-E173 PolarHBondContact N-O 3.34Å; K162-E173 PolarHBondContact O-N 2.91Å; K162-L289 CarbonylContact C-O 3.55Å; K162-L289 WeakPolarHBondContact CA-O 3.47Å; K162-E291 WeakPolarHBondContact CD-OE2 3.47Å; K162-E291 WeakPolarHBondContact CE-OE2 3.31Å; K162-E291 IonicContact NZ-OE1 3.99Å; K162-E291 IonicContact NZ-OE2 2.78Å; K162-E291 PolarHBondContact NZ-OE2 2.64Å
163	L	82.9	Confident	77.4	Confident	12 Å²	12	36.6 Å²	36.6	6%	0.063	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	113.2	172	177.7	69.7	0	0	0	107.9	Y170 F171 I269 I274 L288 L289	L163-Y170 HydrophobicContact CD1-CD1 4.14Å; L163-Y170 HydrophobicContact CG-CD1 4.29Å; L163-F171 WeakPolarHBondContact CA-O 3.46Å; L163-I269 HydrophobicContact CD1-CD1 3.66Å; L163-I274 HydrophobicContact CD1-CD1 4.39Å; L163-I274 HydrophobicContact CD2-CD1 3.93Å; L163-I274 HydrophobicContact CD2-CG1 4.19Å; L163-L288 HydrophobicContact CB-CB 3.99Å; L163-L288 HydrophobicContact CB-CD1 4.33Å; L163-L288 HydrophobicContact CB-CD2 4.45Å; L163-L288 HydrophobicContact CB-CG 4.49Å; L163-L288 HydrophobicContact CD1-CD1 4.38Å; L163-L288 HydrophobicContact CD2-CD1 4.24Å; L163-L289 PolarHBondContact N-O 2.64Å
164	V	79.2	Confident	77.5	Confident	13 Å²	13	33.2 Å²	33.2	8%	0.079	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135	-175.9	-172.3	0	0	0	0	108.9	K162 K166 F171 E173	K162-V164 HydrophobicContact CB-CG2 4.36Å; V164-K166 HydrophobicContact CG1-CD 4.48Å; V164-K166 HydrophobicContact CG1-CG 3.96Å; V164-F171 PolarHBondContact N-O 3.34Å; V164-F171 PolarHBondContact O-N 3.15Å; V164-E173 HydrophobicContact CB-CG 4.26Å; V164-E173 HydrophobicContact CG2-CB 4.47Å; V164-E173 HydrophobicContact CG2-CG 3.87Å; V164-E173 WeakPolarHBondContact CG2-OE2 3.33Å
165	L	74.6	Confident	77.5	Confident	15 Å²	15	35.1 Å²	35.1	8%	0.079	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115.9	173.3	177.5	64.5	0	0	0	108.1	R169 Y170 H458	L165-R169 WeakPolarHBondContact CD1-O 3.41Å; L165-Y170 HydrophobicContact CB-CD1 4.15Å; L165-Y170 HydrophobicContact CB-CE1 4.03Å; L165-Y170 HydrophobicContact CD1-CD1 3.95Å; L165-Y170 HydrophobicContact CD1-CD2 3.93Å; L165-Y170 HydrophobicContact CD1-CE1 3.85Å; L165-Y170 HydrophobicContact CD1-CE2 3.79Å; L165-Y170 HydrophobicContact CD1-CG 4.02Å; L165-Y170 HydrophobicContact CD2-CE1 4.29Å; L165-Y170 HydrophobicContact CG-CE1 4.28Å; L165-H458 WeakPolarHBondContact CB-ND1 3.34Å; L165-H458 VanDerWaalsContact CG-CE1 3.46Å; L165-H458 WeakPolarHBondContact CG-CE1 3.47Å; L165-H458 PolarHBondContact O-CE1 3.5Å; L165-H458 PolarHBondContact O-ND1 2.86Å; L165-H458 VanDerWaalsContact O-ND1 3.13Å
166	K	71	Confident	77.7	Confident	48 Å²	48	39.6 Å²	39.6	21%	0.209	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	127.4	175.8	-62.8	173.9	168.7	172.3	0	108.2	V164 N168 R169 F171 E173 E207	V164-K166 HydrophobicContact CG1-CD 4.48Å; V164-K166 HydrophobicContact CG1-CG 3.96Å; K166-N168 PolarHBondContact O-N 2.93Å; K166-R169 PolarHBondContact N-O 3.31Å; K166-R169 WeakPolarHBondContact O-CA 3.46Å; K166-R169 WeakPolarHBondContact O-CB 3.35Å; K166-R169 PolarHBondContact O-N 2.69Å; K166-F171 HydrophobicContact CB-CD2 3.85Å; K166-F171 HydrophobicContact CB-CE2 3.79Å; K166-F171 HydrophobicContact CD-CD2 4.22Å; K166-F171 HydrophobicContact CG-CD2 4.26Å; K166-E173 VanDerWaalsContact CE-OE1 3.23Å; K166-E173 WeakPolarHBondContact CE-OE1 3.26Å; K166-E173 IonicContact NZ-OE1 2.69Å; K166-E173 PolarHBondContact NZ-OE1 3.11Å; K166-E207 VanDerWaalsContact NZ-CD 3.31Å; K166-E207 IonicContact NZ-OE1 2.67Å; K166-E207 PolarHBondContact NZ-OE1 3.3Å; K166-E207 IonicContact NZ-OE2 3.45Å; K166-E207 PolarHBondContact NZ-OE2 3.3Å
167	H	70.1	Confident	77.9	Confident	121 Å²	121	38.6 Å²	38.6	56%	0.56	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	45.9	176.4	-46.9	-68.5	0	0	0	115	R169 V299	H167-R169 PolarHBondContact O-N 2.88Å; H167-R169 VanDerWaalsContact O-N 3.1Å; H167-V299 WeakPolarHBondContact CE1-CG2 3.48Å; H167-V299 VanDerWaalsContact ND1-CG2 3.32Å; H167-V299 WeakPolarHBondContact ND1-CG2 3.31Å
168	N	67.2	Low	78.6	Confident	57 Å²	57	43.1 Å²	43.1	31%	0.305	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	20.3	-173.5	-140.8	-5.7	0	0	0	115.6	K166 E431 Q456	K166-N168 PolarHBondContact O-N 2.93Å; N168-E431 WeakPolarHBondContact CA-OE1 3.47Å; N168-E431 WeakPolarHBondContact CB-OE1 3.5Å; N168-E431 PolarHBondContact N-OE1 3.4Å; N168-Q456 PolarHBondContact ND2-OE1 3.33Å; N168-Q456 PolarHBondContact OD1-OE1 3.12Å
169	R	74.4	Confident	79.2	Confident	131 Å²	131	43.2 Å²	43.2	49%	0.494	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	135.9	179.4	-64.9	159.6	177.6	-133.4	12.2	109.3	L165 K166 H167 F171 E268	L165-R169 WeakPolarHBondContact CD1-O 3.41Å; K166-R169 PolarHBondContact N-O 3.31Å; K166-R169 WeakPolarHBondContact O-CA 3.46Å; K166-R169 WeakPolarHBondContact O-CB 3.35Å; K166-R169 PolarHBondContact O-N 2.69Å; H167-R169 PolarHBondContact O-N 2.88Å; H167-R169 VanDerWaalsContact O-N 3.1Å; R169-F171 HydrophobicContact CB-CD2 4.49Å; R169-F171 HydrophobicContact CB-CE2 3.73Å; R169-F171 HydrophobicContact CB-CZ 4.25Å; R169-F171 WeakPolarHBondContact O-CD2 3.46Å; R169-E268 HydrophobicContact CB-CG 4.27Å; R169-E268 WeakPolarHBondContact CD-OE1 3.41Å; R169-E268 WeakPolarHBondContact CG-OE1 3.37Å; R169-E268 IonicContact CZ-OE1 2.69Å; R169-E268 IonicContact NE-OE1 2.81Å; R169-E268 IonicContact NH1-OE1 3.43Å; R169-E268 PolarHBondContact NH1-OE1 3.4Å; R169-E268 VanDerWaalsContact NH1-OE1 3.09Å; R169-E268 IonicContact NH1-OE2 3.57Å; R169-E268 PolarHBondContact NH1-OE2 2.85Å
170	Y	79.4	Confident	79.8	Confident	32 Å²	32	42 Å²	42	13%	0.125	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	128.8	-179.3	-72	-84.8	0	0	0	109.9	L163 L165 E268 I269 Q271 I274	L163-Y170 HydrophobicContact CD1-CD1 4.14Å; L163-Y170 HydrophobicContact CG-CD1 4.29Å; L165-Y170 HydrophobicContact CB-CD1 4.15Å; L165-Y170 HydrophobicContact CB-CE1 4.03Å; L165-Y170 HydrophobicContact CD1-CD1 3.95Å; L165-Y170 HydrophobicContact CD1-CD2 3.93Å; L165-Y170 HydrophobicContact CD1-CE1 3.85Å; L165-Y170 HydrophobicContact CD1-CE2 3.79Å; L165-Y170 HydrophobicContact CD1-CG 4.02Å; L165-Y170 HydrophobicContact CD2-CE1 4.29Å; L165-Y170 HydrophobicContact CG-CE1 4.28Å; Y170-E268 WeakPolarHBondContact O-CA 3.3Å; Y170-I269 PolarHBondContact O-N 3.01Å; Y170-Q271 HydrophobicContact CD2-CB 4.42Å; Y170-Q271 HydrophobicContact CD2-CG 4.3Å; Y170-Q271 HydrophobicContact CE2-CG 3.96Å; Y170-I274 HydrophobicContact CD1-CD1 3.23Å; Y170-I274 HydrophobicContact CD2-CD1 3.74Å; Y170-I274 HydrophobicContact CE1-CD1 3.35Å; Y170-I274 HydrophobicContact CE2-CD1 3.88Å; Y170-I274 HydrophobicContact CG-CD1 3.41Å; Y170-I274 VanDerWaalsContact CG-CD1 3.41Å
171	F	83.8	Confident	80.1	Confident	18 Å²	18	44.9 Å²	44.9	8%	0.079	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	138.6	176.4	-66.8	-91.5	0	0	0	109.7	L163 V164 K166 R169 E173 I205 F267 E268	L163-F171 WeakPolarHBondContact CA-O 3.46Å; V164-F171 PolarHBondContact N-O 3.34Å; V164-F171 PolarHBondContact O-N 3.15Å; K166-F171 HydrophobicContact CB-CD2 3.85Å; K166-F171 HydrophobicContact CB-CE2 3.79Å; K166-F171 HydrophobicContact CD-CD2 4.22Å; K166-F171 HydrophobicContact CG-CD2 4.26Å; R169-F171 HydrophobicContact CB-CD2 4.49Å; R169-F171 HydrophobicContact CB-CE2 3.73Å; R169-F171 HydrophobicContact CB-CZ 4.25Å; R169-F171 WeakPolarHBondContact O-CD2 3.46Å; F171-E173 HydrophobicContact CB-CG 4.41Å; F171-I205 HydrophobicContact CE1-CD1 4.23Å; F171-F267 VanDerWaalsContact CA-O 3.3Å; F171-F267 WeakPolarHBondContact CA-O 3.48Å; F171-E268 HydrophobicContact CD1-CB 4.08Å; F171-E268 HydrophobicContact CE1-CB 3.74Å; F171-E268 HydrophobicContact CE1-CG 4.09Å; F171-E268 HydrophobicContact CZ-CB 4.3Å; F171-E268 HydrophobicContact CZ-CG 4.15Å
172	V	86.3	Confident	80.3	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	125.6	163.4	-174.4	0	0	0	0	107.7	V161 K162 L183 S266 F267 I269 L277 L288	V161-V172 HydrophobicContact CG1-CG1 3.19Å; K162-V172 CarbonylContact O-C 3.56Å; K162-V172 WeakPolarHBondContact O-CA 3.47Å; V172-L183 HydrophobicContact CG1-CD2 4.28Å; V172-S266 CarbonylContact O-C 3.57Å; V172-S266 WeakPolarHBondContact O-CA 3.49Å; V172-S266 WeakPolarHBondContact O-CB 3.47Å; V172-F267 HydrophobicContact CB-CD1 4.11Å; V172-F267 HydrophobicContact CB-CE1 3.61Å; V172-F267 HydrophobicContact CB-CE2 4.06Å; V172-F267 HydrophobicContact CB-CZ 3.59Å; V172-F267 HydrophobicContact CG1-CE1 3.91Å; V172-F267 HydrophobicContact CG1-CZ 4.04Å; V172-F267 HydrophobicContact CG2-CD2 4.47Å; V172-F267 HydrophobicContact CG2-CE1 4.11Å; V172-F267 HydrophobicContact CG2-CE2 3.74Å; V172-F267 HydrophobicContact CG2-CZ 3.53Å; V172-F267 PolarHBondContact N-O 3.07Å; V172-F267 PolarHBondContact O-N 3.09Å; V172-F267 VanDerWaalsContact O-N 3.09Å; V172-I269 HydrophobicContact CB-CD1 4.48Å; V172-I269 HydrophobicContact CG2-CD1 3.24Å; V172-I269 HydrophobicContact CG2-CG1 3.76Å; V172-L277 HydrophobicContact CG2-CD2 4.1Å; V172-L288 HydrophobicContact CG1-CD2 4.17Å
173	E	84.7	Confident	80.4	Confident	5 Å²	5	46.2 Å²	46.2	2%	0.023	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.1	178.1	-48.8	-166.1	154.1	0	0	110.8	K162 V164 K166 F171 V265	K162-E173 HydrophobicContact CB-CB 4.4Å; K162-E173 PolarHBondContact N-O 3.34Å; K162-E173 PolarHBondContact O-N 2.91Å; V164-E173 HydrophobicContact CB-CG 4.26Å; V164-E173 HydrophobicContact CG2-CB 4.47Å; V164-E173 HydrophobicContact CG2-CG 3.87Å; V164-E173 WeakPolarHBondContact CG2-OE2 3.33Å; K166-E173 VanDerWaalsContact CE-OE1 3.23Å; K166-E173 WeakPolarHBondContact CE-OE1 3.26Å; K166-E173 IonicContact NZ-OE1 2.69Å; K166-E173 PolarHBondContact NZ-OE1 3.11Å; F171-E173 HydrophobicContact CB-CG 4.41Å; E173-V265 WeakPolarHBondContact CA-O 3.47Å
174	S	84.1	Confident	80.5	Confident	2 Å²	2	47 Å²	47	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	141.9	173.5	177.1	0	0	0	0	109.6	K160 F176 T264 V265	K160-S174 WeakPolarHBondContact O-CA 3.49Å; K160-S174 WeakPolarHBondContact O-CB 3.47Å; K160-S174 PolarHBondContact O-OG 3.22Å; S174-F176 PolarHBondContact OG-N 3.31Å; S174-F176 PolarHBondContact OG-O 3.41Å; S174-T264 WeakPolarHBondContact O-CA 3.29Å; S174-V265 PolarHBondContact N-O 2.99Å; S174-V265 PolarHBondContact O-N 3.45Å
175	A	79.4	Confident	80.9	Confident	40 Å²	40	52.5 Å²	52.5	33%	0.331	26%	0.258	S	S	.	.	S	Bend	trans	-74.9	-15.3	167.5	0	0	0	0	0	112.2	P177 Q263	A175-P177 WeakPolarHBondContact O-CD 3.31Å; A175-Q263 WeakPolarHBondContact CA-O 3.31Å
176	F	82.5	Confident	81.5	Confident	99 Å²	99	52.9 Å²	52.9	43%	0.434	26%	0.26	S	S	.	.			trans	-109.3	106.2	-179.1	-55.5	-80.5	0	0	0	110	K160 S174 D178 V179	K160-F176 HydrophobicContact CB-CD2 3.88Å; K160-F176 HydrophobicContact CB-CE2 4.33Å; K160-F176 HydrophobicContact CD-CD2 3.89Å; K160-F176 HydrophobicContact CD-CE2 4.15Å; K160-F176 HydrophobicContact CD-CG 4.41Å; K160-F176 HydrophobicContact CG-CD2 3.72Å; K160-F176 HydrophobicContact CG-CE2 3.8Å; S174-F176 PolarHBondContact OG-N 3.31Å; S174-F176 PolarHBondContact OG-O 3.41Å; F176-D178 VanDerWaalsContact C-N 3.28Å; F176-D178 PolarHBondContact O-N 3.16Å; F176-V179 HydrophobicContact CB-CB 4.37Å; F176-V179 HydrophobicContact CB-CG2 3.86Å; F176-V179 PolarHBondContact O-N 3.35Å
177	P	81.1	Confident	82.1	Confident	61 Å²	61	56 Å²	56	40%	0.396	28%	0.279	S	S	.	.	H	α-helix	trans	-59.9	-37	-179.9	-24.9	34.7	0	0	0	113.2	A175 V179 I180 Q181 V265	A175-P177 WeakPolarHBondContact O-CD 3.31Å; P177-V179 PolarHBondContact O-N 3.16Å; P177-I180 PolarHBondContact O-N 3.08Å; P177-I180 VanDerWaalsContact O-N 3.1Å; P177-Q181 PolarHBondContact O-N 3.3Å; P177-V265 HydrophobicContact CB-CG2 4.18Å; P177-V265 HydrophobicContact CG-CG2 3.94Å
178	D	84	Confident	82.8	Confident	108 Å²	108	54 Å²	54	58%	0.578	27%	0.272	S	S	*	.	H	α-helix	trans	-59.1	-36.6	-178.2	-52.7	-24	0	0	0	112.2	F176 Q181 N182	F176-D178 VanDerWaalsContact C-N 3.28Å; F176-D178 PolarHBondContact O-N 3.16Å; D178-Q181 PolarHBondContact O-N 3.29Å; D178-N182 VanDerWaalsContact O-CG 3.3Å; D178-N182 PolarHBondContact O-N 3.3Å; D178-N182 PolarHBondContact O-ND2 2.94Å
179	V	84.8	Confident	83.6	Confident	8 Å²	8	51.3 Å²	51.3	5%	0.048	26%	0.258	C	S	.	.	H	α-helix	trans	-67.8	-41.9	178.8	178.6	0	0	0	0	110.7	K160 V161 F176 P177 N182 L183 Y286	K160-V179 HydrophobicContact CB-CG2 4.35Å; K160-V179 HydrophobicContact CD-CG2 3.91Å; V161-V179 HydrophobicContact CG2-CG1 3.48Å; V161-V179 VanDerWaalsContact CG2-CG1 3.48Å; F176-V179 HydrophobicContact CB-CB 4.37Å; F176-V179 HydrophobicContact CB-CG2 3.86Å; F176-V179 PolarHBondContact O-N 3.35Å; P177-V179 PolarHBondContact O-N 3.16Å; V179-N182 PolarHBondContact O-N 3.24Å; V179-L183 WeakPolarHBondContact O-CB 3.08Å; V179-L183 PolarHBondContact O-N 3.38Å; V179-Y286 HydrophobicContact CB-CE1 4.36Å; V179-Y286 HydrophobicContact CG1-CD1 3.54Å; V179-Y286 HydrophobicContact CG1-CE1 3.43Å; V179-Y286 VanDerWaalsContact CG1-CE1 3.43Å; V179-Y286 HydrophobicContact CG1-CG 4.16Å; V179-Y286 HydrophobicContact CG2-CE1 3.98Å
180	I	84.1	Confident	84.1	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	25%	0.253	C	S	.	.	H	α-helix	trans	-66.4	-39.6	176.7	-75.8	-172.9	0	0	0	111.1	P177 N182 L183 L184 L204 V265 F267	P177-I180 PolarHBondContact O-N 3.08Å; P177-I180 VanDerWaalsContact O-N 3.1Å; I180-N182 VanDerWaalsContact C-N 3.34Å; I180-N182 PolarHBondContact O-N 3.06Å; I180-L183 PolarHBondContact O-N 2.82Å; I180-L184 HydrophobicContact CG2-CD1 3.78Å; I180-L184 HydrophobicContact CG2-CG 4.24Å; I180-L184 WeakPolarHBondContact O-CB 3.45Å; I180-L184 VanDerWaalsContact O-CG 3.31Å; I180-L184 WeakPolarHBondContact O-CG 3.48Å; I180-L184 PolarHBondContact O-N 3.18Å; I180-L204 HydrophobicContact CG2-CD2 4.1Å; I180-V265 HydrophobicContact CD1-CB 4.15Å; I180-V265 HydrophobicContact CD1-CG1 4.16Å; I180-V265 WeakPolarHBondContact CD1-O 3.29Å; I180-F267 HydrophobicContact CD1-CD1 4.4Å; I180-F267 HydrophobicContact CD1-CE1 4.47Å; I180-F267 HydrophobicContact CG1-CE1 4.47Å; I180-F267 HydrophobicContact CG2-CD1 3.95Å; I180-F267 HydrophobicContact CG2-CE1 4Å
181	Q	84.4	Confident	84.2	Confident	114 Å²	114	54 Å²	54	53%	0.533	27%	0.272	S	S	.	.	H	α-helix	trans	-59.7	-45.8	175.4	-70.4	-177.5	3	0	0	111.5	P177 D178 L183 L184 Q185	P177-Q181 PolarHBondContact O-N 3.3Å; D178-Q181 PolarHBondContact O-N 3.29Å; Q181-L183 VanDerWaalsContact C-N 3.33Å; Q181-L183 PolarHBondContact O-N 2.92Å; Q181-L184 PolarHBondContact O-N 3.5Å; Q181-Q185 WeakPolarHBondContact O-CG 3.31Å; Q181-Q185 PolarHBondContact O-N 3.01Å
182	N	85.8	Confident	84.1	Confident	83 Å²	83	53.4 Å²	53.4	44%	0.444	27%	0.27	S	S	.	.	H	α-helix	trans	-62.6	-40.4	175.2	-70.6	-22	0	0	0	111.9	D178 V179 I180 L184 Q185	D178-N182 VanDerWaalsContact O-CG 3.3Å; D178-N182 PolarHBondContact O-N 3.3Å; D178-N182 PolarHBondContact O-ND2 2.94Å; V179-N182 PolarHBondContact O-N 3.24Å; I180-N182 VanDerWaalsContact C-N 3.34Å; I180-N182 PolarHBondContact O-N 3.06Å; N182-L184 VanDerWaalsContact C-N 3.33Å; N182-L184 PolarHBondContact O-N 2.83Å; N182-Q185 WeakPolarHBondContact O-CB 3.26Å; N182-Q185 PolarHBondContact O-N 3Å
183	L	85.3	Confident	83.9	Confident	3 Å²	3	54.7 Å²	54.7	2%	0.016	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-36.3	179.4	-155.8	74.4	0	0	0	112.1	V161 V172 V179 I180 Q181 Q185 D186 I189 F267 L284	V161-L183 HydrophobicContact CG1-CD2 4.41Å; V172-L183 HydrophobicContact CG1-CD2 4.28Å; V179-L183 WeakPolarHBondContact O-CB 3.08Å; V179-L183 PolarHBondContact O-N 3.38Å; I180-L183 PolarHBondContact O-N 2.82Å; Q181-L183 VanDerWaalsContact C-N 3.33Å; Q181-L183 PolarHBondContact O-N 2.92Å; L183-Q185 VanDerWaalsContact C-N 3.31Å; L183-Q185 PolarHBondContact O-N 3.1Å; L183-D186 PolarHBondContact O-N 2.97Å; L183-I189 HydrophobicContact CD1-CD1 3.47Å; L183-I189 VanDerWaalsContact CD1-CD1 3.47Å; L183-I189 HydrophobicContact CD2-CD1 4.23Å; L183-I189 HydrophobicContact CD2-CG2 4.44Å; L183-I189 HydrophobicContact CG-CD1 3.48Å; L183-I189 VanDerWaalsContact CG-CD1 3.48Å; L183-I189 HydrophobicContact CG-CG2 4.2Å; L183-F267 HydrophobicContact CD2-CZ 4.24Å; L183-L284 HydrophobicContact CD1-CD1 4.16Å
184	L	85.4	Confident	83.4	Confident	27 Å²	27	57.6 Å²	57.6	14%	0.141	29%	0.29	C	S	.	.	H	α-helix	trans	-77.5	-11.3	178.2	-69.6	173.3	0	0	0	114.2	I180 Q181 N182 D186 R190 L204 F267	I180-L184 HydrophobicContact CG2-CD1 3.78Å; I180-L184 HydrophobicContact CG2-CG 4.24Å; I180-L184 WeakPolarHBondContact O-CB 3.45Å; I180-L184 VanDerWaalsContact O-CG 3.31Å; I180-L184 WeakPolarHBondContact O-CG 3.48Å; I180-L184 PolarHBondContact O-N 3.18Å; Q181-L184 PolarHBondContact O-N 3.5Å; N182-L184 VanDerWaalsContact C-N 3.33Å; N182-L184 PolarHBondContact O-N 2.83Å; L184-D186 VanDerWaalsContact C-N 3.26Å; L184-R190 PolarHBondContact O-NE 2.89Å; L184-R190 PolarHBondContact O-NH2 2.75Å; L184-L204 HydrophobicContact CD1-CD2 4.28Å; L184-F267 HydrophobicContact CD2-CD1 4.3Å; L184-F267 HydrophobicContact CD2-CD2 4.44Å; L184-F267 HydrophobicContact CD2-CE1 4.1Å; L184-F267 HydrophobicContact CD2-CE2 4.25Å; L184-F267 HydrophobicContact CD2-CG 4.46Å; L184-F267 HydrophobicContact CD2-CZ 4.07Å; L184-F267 HydrophobicContact CG-CE1 4.37Å
185	Q	86.4	Confident	82.4	Confident	130 Å²	130	63.9 Å²	63.9	61%	0.607	31%	0.314	S	S	*	.	H	α-helix	trans	-71.7	-24.1	170.7	-70.5	172.8	15.6	0	0	111.9	Q181 N182 L183	Q181-Q185 WeakPolarHBondContact O-CG 3.31Å; Q181-Q185 PolarHBondContact O-N 3.01Å; N182-Q185 WeakPolarHBondContact O-CB 3.26Å; N182-Q185 PolarHBondContact O-N 3Å; L183-Q185 VanDerWaalsContact C-N 3.31Å; L183-Q185 PolarHBondContact O-N 3.1Å
186	D	87.1	Confident	81.2	Confident	23 Å²	23	63.7 Å²	63.7	12%	0.123	32%	0.316	C	S	.	.	S	Bend	trans	-73.3	131.8	178.8	-167.7	-84.8	0	0	0	112.2	L183 L184 L188 I189 R190 R280 L284	L183-D186 PolarHBondContact O-N 2.97Å; L184-D186 VanDerWaalsContact C-N 3.26Å; D186-L188 PolarHBondContact O-N 2.83Å; D186-L188 WeakPolarHBondContact OD1-CB 3.44Å; D186-L188 PolarHBondContact OD1-N 3.32Å; D186-I189 HydrophobicContact CB-CB 4.26Å; D186-I189 HydrophobicContact CB-CD1 4.29Å; D186-I189 HydrophobicContact CB-CG1 4.13Å; D186-I189 PolarHBondContact O-N 2.88Å; D186-I189 PolarHBondContact OD1-N 2.95Å; D186-R190 WeakPolarHBondContact O-CB 3.33Å; D186-R190 PolarHBondContact O-N 2.95Å; D186-R280 IonicContact OD1-NE 2.72Å; D186-R280 PolarHBondContact OD1-NE 3.32Å; D186-R280 IonicContact OD2-CZ 2.64Å; D186-R280 VanDerWaalsContact OD2-CZ 3.25Å; D186-R280 IonicContact OD2-NE 3.06Å; D186-R280 PolarHBondContact OD2-NE 2.86Å; D186-R280 IonicContact OD2-NH2 3.85Å; D186-R280 PolarHBondContact OD2-NH2 3.31Å; D186-L284 HydrophobicContact CB-CD1 4.02Å
187	N	84.3	Confident	79.4	Confident	113 Å²	113	64.3 Å²	64.3	60%	0.604	34%	0.34	S	S	*	.	H	α-helix	trans	-64.6	-40.8	-176.1	-69.9	-26.8	0	0	0	112.6	R190 E191	N187-R190 PolarHBondContact O-N 3.41Å; N187-E191 WeakPolarHBondContact O-CG 3.18Å; N187-E191 PolarHBondContact O-N 2.8Å
188	L	84.8	Confident	77.4	Confident	78 Å²	78	68.7 Å²	68.7	41%	0.408	36%	0.36	S	S	.	.	H	α-helix	trans	-68.9	-39.7	-178.3	-74.2	171.3	0	0	0	111.1	D186 R190 E191 C192 R280	D186-L188 PolarHBondContact O-N 2.83Å; D186-L188 WeakPolarHBondContact OD1-CB 3.44Å; D186-L188 PolarHBondContact OD1-N 3.32Å; L188-R190 VanDerWaalsContact C-N 3.34Å; L188-E191 WeakPolarHBondContact O-CB 3.4Å; L188-E191 PolarHBondContact O-N 3.35Å; L188-C192 PolarHBondContact O-N 3.26Å; L188-C192 PolarHBondContact O-SG 3Å; L188-R280 HydrophobicContact CB-CG 4.16Å; L188-R280 HydrophobicContact CD1-CG 4.32Å
189	I	84.3	Confident	75.4	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	36%	0.362	C	S	.	.	H	α-helix	trans	-68.5	-38.4	178	-59	-170.6	0	0	0	110.7	L183 D186 E191 C192 R193 F267 L277 R280 L284	L183-I189 HydrophobicContact CD1-CD1 3.47Å; L183-I189 VanDerWaalsContact CD1-CD1 3.47Å; L183-I189 HydrophobicContact CD2-CD1 4.23Å; L183-I189 HydrophobicContact CD2-CG2 4.44Å; L183-I189 HydrophobicContact CG-CD1 3.48Å; L183-I189 VanDerWaalsContact CG-CD1 3.48Å; L183-I189 HydrophobicContact CG-CG2 4.2Å; D186-I189 HydrophobicContact CB-CB 4.26Å; D186-I189 HydrophobicContact CB-CD1 4.29Å; D186-I189 HydrophobicContact CB-CG1 4.13Å; D186-I189 PolarHBondContact O-N 2.88Å; D186-I189 PolarHBondContact OD1-N 2.95Å; I189-E191 VanDerWaalsContact C-N 3.28Å; I189-E191 PolarHBondContact O-N 3.29Å; I189-C192 WeakPolarHBondContact O-CB 3.4Å; I189-C192 PolarHBondContact O-N 3.46Å; I189-C192 VanDerWaalsContact O-N 3.12Å; I189-R193 PolarHBondContact O-N 3.45Å; I189-R193 VanDerWaalsContact O-N 3.13Å; I189-F267 HydrophobicContact CG2-CZ 4.28Å; I189-L277 HydrophobicContact CB-CD1 4.24Å; I189-L277 HydrophobicContact CD1-CD1 4.14Å; I189-L277 HydrophobicContact CG1-CD1 3.85Å; I189-L277 HydrophobicContact CG2-CD1 3.82Å; I189-R280 HydrophobicContact CD1-CG 4.15Å; I189-R280 HydrophobicContact CG1-CB 4.47Å; I189-R280 HydrophobicContact CG1-CG 3.9Å; I189-L284 HydrophobicContact CD1-CD1 3.62Å
190	R	83.6	Confident	73.4	Confident	107 Å²	107	69.6 Å²	69.6	40%	0.404	39%	0.385	S	S	.	.	H	α-helix	trans	-62.2	-36.2	173.9	-171.8	179.2	-61.2	173	4.1	112.4	L184 D186 N187 L188 R193	L184-R190 PolarHBondContact O-NE 2.89Å; L184-R190 PolarHBondContact O-NH2 2.75Å; D186-R190 WeakPolarHBondContact O-CB 3.33Å; D186-R190 PolarHBondContact O-N 2.95Å; N187-R190 PolarHBondContact O-N 3.41Å; L188-R190 VanDerWaalsContact C-N 3.34Å; R190-R193 WeakPolarHBondContact O-CB 3.45Å
191	E	82.9	Confident	71.8	Confident	113 Å²	113	74.6 Å²	74.6	53%	0.528	41%	0.411	S	S	.	.	H	α-helix	trans	-69	-38.7	172.3	-72.8	174.1	-170.2	0	0	111.5	N187 L188 I189 R193 R270	N187-E191 WeakPolarHBondContact O-CG 3.18Å; N187-E191 PolarHBondContact O-N 2.8Å; L188-E191 WeakPolarHBondContact O-CB 3.4Å; L188-E191 PolarHBondContact O-N 3.35Å; I189-E191 VanDerWaalsContact C-N 3.28Å; I189-E191 PolarHBondContact O-N 3.29Å; E191-R193 PolarHBondContact O-N 2.8Å; E191-R270 VanDerWaalsContact O-CZ 3.32Å; E191-R270 PolarHBondContact O-NE 2.85Å; E191-R270 PolarHBondContact O-NH2 2.85Å
192	C	81.5	Confident	70.3	Confident	5 Å²	5	71.6 Å²	71.6	3%	0.034	40%	0.402	C	S	.	.	H	α-helix	trans	-64.5	-25.1	177.9	-66.1	0	0	0	0	113.2	L188 I189 I269 R270 M273 L277	L188-C192 PolarHBondContact O-N 3.26Å; L188-C192 PolarHBondContact O-SG 3Å; I189-C192 WeakPolarHBondContact O-CB 3.4Å; I189-C192 PolarHBondContact O-N 3.46Å; I189-C192 VanDerWaalsContact O-N 3.12Å; C192-I269 HydrophobicContact CB-CG2 4.16Å; C192-I269 WeakPolarHBondContact O-CG2 3.34Å; C192-R270 PolarHBondContact O-N 3.18Å; C192-M273 HydrophobicContact CB-CB 4.3Å; C192-L277 HydrophobicContact CB-CD1 4.42Å
193	R	81.9	Confident	68.9	Low	28 Å²	28	76.3 Å²	76.3	11%	0.106	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-63.2	136.6	179	-170	178.5	-176.1	-168.2	3.6	111.9	I189 R190 E191 R195 P202 F267	I189-R193 PolarHBondContact O-N 3.45Å; I189-R193 VanDerWaalsContact O-N 3.13Å; R190-R193 WeakPolarHBondContact O-CB 3.45Å; E191-R193 PolarHBondContact O-N 2.8Å; R193-R195 PolarHBondContact O-N 3.09Å; R193-P202 PolarHBondContact NH2-O 2.93Å; R193-F267 HydrophobicContact CG-CD2 4.17Å
194	L	73.4	Confident	67.7	Low	65 Å²	65	79.8 Å²	79.8	34%	0.34	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-76.2	117.5	172.8	-142.6	121.8	0	0	0	108.9	E268 R270	L194-E268 HydrophobicContact CB-CB 4.46Å; L194-E268 HydrophobicContact CB-CG 4.28Å; L194-E268 PolarHBondContact N-O 3.35Å; L194-E268 VanDerWaalsContact N-O 3.07Å; L194-R270 HydrophobicContact CB-CG 4.45Å; L194-R270 HydrophobicContact CD1-CB 4.46Å; L194-R270 HydrophobicContact CD1-CG 3.7Å; L194-R270 HydrophobicContact CG-CG 4.18Å
195	R	64.5	Low	66.6	Low	134 Å²	134	82.2 Å²	82.2	51%	0.506	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-91.7	143.2	170.8	-68	-173.5	178.9	178	-0.9	109.5	R193 D201	R193-R195 PolarHBondContact O-N 3.09Å; R195-D201 IonicContact NE-OD1 2.72Å
196	G	52.4	Low	65.3	Low	37 Å²	37	81.2 Å²	81.2	38%	0.381	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-60.9	155.8	173.2	0	0	0	0	0	111.5	D198 G199	G196-D198 PolarHBondContact O-N 2.72Å; G196-G199 PolarHBondContact O-N 3.36Å; G196-G199 VanDerWaalsContact O-N 3.16Å
197	A	44.7	Very low	63.8	Low	112 Å²	112	83.5 Å²	83.5	93%	0.926	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-15.9	-177.3	0	0	0	0	0	114.5
198	D	39.9	Very low	62.1	Low	152 Å²	152	82.5 Å²	82.5	81%	0.813	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.8	7.1	-177.6	-64.5	-29.8	0	0	0	114.5	G196 S200	G196-D198 PolarHBondContact O-N 2.72Å; D198-S200 PolarHBondContact O-N 3.23Å
199	G	43.2	Very low	60.5	Low	62 Å²	62	80.2 Å²	80.2	64%	0.639	45%	0.45	S	S	*	.	S	Bend	trans	71.9	6.6	177.4	0	0	0	0	0	115.2	G196	G196-G199 PolarHBondContact O-N 3.36Å; G196-G199 VanDerWaalsContact O-N 3.16Å
200	S	42.7	Very low	58.3	Low	74 Å²	74	86 Å²	86	52%	0.517	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-79.8	137.9	166.4	51.2	0	0	0	0	110.8	D198 P202	D198-S200 PolarHBondContact O-N 3.23Å; S200-P202 WeakPolarHBondContact O-CD 3.38Å
201	D	50.1	Low	56.1	Low	105 Å²	105	83.6 Å²	83.6	56%	0.561	48%	0.476	S	S	*	.	P	Polyproline II helix	trans	-64.7	123.9	170.5	-79.8	-37.9	0	0	0	108.2	R195 E203	R195-D201 IonicContact NE-OD1 2.72Å; D201-E203 PolarHBondContact O-N 2.84Å
202	P	52.6	Low	53.8	Low	51 Å²	51	86.3 Å²	86.3	33%	0.331	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-60.3	140.3	175.3	18.6	-24.4	0	0	0	109.6	R193 S200	R193-P202 PolarHBondContact NH2-O 2.93Å; S200-P202 WeakPolarHBondContact O-CD 3.38Å
203	E	55.5	Low	51.3	Low	183 Å²	183	89.1 Å²	89.1	86%	0.855	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-60.6	145.4	173	-76.3	-179.7	156.9	0	0	110.1	D201 I205	D201-E203 PolarHBondContact O-N 2.84Å; E203-I205 PolarHBondContact O-N 2.86Å
204	L	60.8	Low	49.1	Very low	76 Å²	76	91 Å²	91	40%	0.398	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-66	126.1	173.4	-76	158.6	0	0	0	108.7	I180 L184 V265 F267	I180-L204 HydrophobicContact CG2-CD2 4.1Å; L184-L204 HydrophobicContact CD1-CD2 4.28Å; L204-V265 HydrophobicContact CB-CG1 4.05Å; L204-V265 HydrophobicContact CD1-CG1 4.38Å; L204-V265 HydrophobicContact CD2-CG1 3.82Å; L204-V265 HydrophobicContact CG-CG1 4.3Å; L204-F267 HydrophobicContact CD2-CB 4.28Å
205	I	62.7	Low	47.2	Very low	78 Å²	78	94.8 Å²	94.8	40%	0.4	55%	0.546	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	127.6	178.5	-57.2	171.8	0	0	0	107.5	F171 E203 E207 V265 S266	F171-I205 HydrophobicContact CE1-CD1 4.23Å; E203-I205 PolarHBondContact O-N 2.86Å; I205-E207 HydrophobicContact CG2-CG 4.11Å; I205-V265 WeakPolarHBondContact O-CA 3.35Å; I205-S266 PolarHBondContact N-O 3Å; I205-S266 VanDerWaalsContact N-O 3.16Å; I205-S266 PolarHBondContact O-N 2.93Å
206	T	58.7	Low	45.5	Very low	108 Å²	108	93.2 Å²	93.2	66%	0.663	56%	0.556	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-109	114.9	173.8	19.5	0	0	0	0	109.1	T264 V265	T206-T264 WeakPolarHBondContact CA-O 3.29Å; T206-V265 HydrophobicContact CG2-CG2 3.95Å
207	E	54.9	Low	44.3	Very low	72 Å²	72	101.6 Å²	101.6	34%	0.336	58%	0.582	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.9	135.2	177.2	-75.5	179.5	-162.9	0	0	109.9	K166 I205 T264	K166-E207 VanDerWaalsContact NZ-CD 3.31Å; K166-E207 IonicContact NZ-OE1 2.67Å; K166-E207 PolarHBondContact NZ-OE1 3.3Å; K166-E207 IonicContact NZ-OE2 3.45Å; K166-E207 PolarHBondContact NZ-OE2 3.3Å; I205-E207 HydrophobicContact CG2-CG 4.11Å; E207-T264 PolarHBondContact N-O 3.26Å; E207-T264 PolarHBondContact O-N 2.84Å; E207-T264 PolarHBondContact O-OG1 3.38Å
208	V	50	Low	43.5	Very low	92 Å²	92	101.1 Å²	101.1	56%	0.558	58%	0.578	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-99.2	121.3	171.9	-176.8	0	0	0	0	107.7	Q263	V208-Q263 HydrophobicContact CG2-CG 4.46Å
209	I	50.9	Low	43.1	Very low	29 Å²	29	100.2 Å²	100.2	15%	0.149	58%	0.578	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.2	126.6	-176.5	-52.7	177.1	0	0	0	109.5	T264	I209-T264 HydrophobicContact CD1-CG2 4.38Å
210	H	38.2	Very low	42.3	Very low	123 Å²	123	106.3 Å²	106.3	57%	0.569	59%	0.589	S	S	*	*			trans	-96.8	110.7	171.8	-61.6	-76.7	0	0	0	110	E261	H210-E261 IonicContact CE1-OE1 3.04Å; H210-E261 PolarHBondContact CE1-OE1 2.81Å; H210-E261 IonicContact ND1-OE1 3.1Å; H210-E261 PolarHBondContact ND1-OE1 2.77Å
211	S	37.4	Very low	41.6	Very low	56 Å²	56	110 Å²	110	39%	0.392	60%	0.603	S	S	.	*			trans	-88.3	105.5	172.5	48.3	0	0	0	0	110.4
212	K	33.6	Very low	40.5	Very low	171 Å²	171	114.5 Å²	114.5	74%	0.743	62%	0.618	S	S	*	*			trans	-81.8	118.7	171.4	-75.2	-179.3	177	171.6	0	110.7	E259	K212-E259 WeakPolarHBondContact CA-OE1 3.49Å
213	S	29.5	Very low	39.3	Very low	63 Å²	63	116.5 Å²	116.5	44%	0.441	65%	0.647	S	S	.	*			trans	-70.5	137.7	169.4	-173.2	0	0	0	0	110	E259	S213-E259 PolarHBondContact N-OE1 3.45Å
214	A	34.7	Very low	37.8	Very low	67 Å²	67	110.9 Å²	110.9	55%	0.554	64%	0.639	S	S	*	*			trans	-121.7	70.9	-170.8	0	0	0	0	0	112
215	I	35.1	Very low	36.2	Very low	145 Å²	145	112.2 Å²	112.2	74%	0.744	66%	0.661	S	S	*	*	S	Bend	trans	-128.8	6.9	163.3	-63.8	-177.6	0	0	0	113.1
216	S	28.1	Very low	34.4	Very low	101 Å²	101	114 Å²	114	71%	0.706	68%	0.681	S	S	*	*	S	Bend	trans	-119	30.3	-174	57.1	0	0	0	0	116.5
217	K	27.1	Very low	33	Very low	214 Å²	214	115.7 Å²	115.7	93%	0.93	69%	0.691	S	S	*	*	S	Bend	trans	-129.2	17.6	177.3	-100.3	-175	-179.1	179.5	0	118.2
218	A	28.9	Very low	31.7	Very low	101 Å²	101	117.8 Å²	117.8	84%	0.835	71%	0.713	S	S	*	*	S	Bend	trans	-121.6	6.2	175.3	0	0	0	0	0	115.9
219	V	30	Very low	30.8	Very low	133 Å²	133	122.7 Å²	122.7	81%	0.806	73%	0.73	S	S	*	*			trans	-125.8	3.7	-177.3	-171.6	0	0	0	0	114.5	D221	V219-D221 PolarHBondContact O-N 2.85Å
220	Q	25.9	Very low	29.6	Very low	190 Å²	190	130.2 Å²	130.2	89%	0.888	77%	0.765	S	S	*	*			trans	-82.1	57.1	168.3	-78.4	-173.3	-9.1	0	0	111.9
221	D	29.5	Very low	29.2	Very low	152 Å²	152	130.3 Å²	130.3	81%	0.813	78%	0.776	S	S	*	*	S	Bend	trans	-165.8	84.8	149.4	-133.8	-5.1	0	0	0	111.1	V219	V219-D221 PolarHBondContact O-N 2.85Å
222	K	26.4	Very low	28.7	Very low	200 Å²	200	133.3 Å²	133.3	87%	0.87	80%	0.797	S	S	*	*			trans	168.3	93.7	146.4	-93.9	167.9	-174.4	-177.5	0	109.5	G224	K222-G224 PolarHBondContact O-N 2.65Å
223	G	26.7	Very low	28.4	Very low	92 Å²	92	133.2 Å²	133.2	95%	0.948	81%	0.805	S	S	*	*			trans	-64.1	119.2	161.7	0	0	0	0	0	109.9
224	G	24.3	Very low	28.3	Very low	65 Å²	65	133.2 Å²	133.2	67%	0.67	82%	0.815	S	S	*	*			trans	-153.6	97	172.8	0	0	0	0	0	108.9	K222 S226	K222-G224 PolarHBondContact O-N 2.65Å; G224-S226 PolarHBondContact O-N 3.42Å
225	A	26.8	Very low	28.3	Very low	105 Å²	105	139.5 Å²	139.5	87%	0.868	83%	0.833	S	S	*	*			trans	-57.1	131.7	173.7	0	0	0	0	0	110.3
226	S	26.1	Very low	27.9	Very low	116 Å²	116	138.6 Å²	138.6	81%	0.811	83%	0.834	S	S	*	*			trans	-134.5	101.1	166.7	-68.8	0	0	0	0	108.9	G224	G224-S226 PolarHBondContact O-N 3.42Å
227	T	29.1	Very low	28.1	Very low	143 Å²	143	139.9 Å²	139.9	88%	0.877	84%	0.843	S	S	*	*			trans	-70.1	123	165.4	27.3	0	0	0	0	110
228	S	28.4	Very low	28.3	Very low	116 Å²	116	134.4 Å²	134.4	81%	0.811	83%	0.832	S	S	*	*			trans	-154.2	80.9	156.5	58.8	0	0	0	0	110.2
229	Q	29.3	Very low	28.8	Very low	194 Å²	194	137.5 Å²	137.5	91%	0.907	83%	0.829	S	S	*	*			trans	-80.5	122.8	151.7	-77.8	177.6	-21.4	0	0	107.5
230	Q	27.1	Very low	29.3	Very low	187 Å²	187	140 Å²	140	87%	0.874	83%	0.832	S	S	*	*			trans	-140.1	134.4	148.8	-99	-173.3	-9.6	0	0	109.6
231	P	30.3	Very low	30.3	Very low	126 Å²	126	132.6 Å²	132.6	82%	0.818	80%	0.8	S	S	*	*			trans	-86.7	142.4	-177.9	34.6	-30.8	0	0	0	110.3
232	S	26.2	Very low	31.5	Very low	119 Å²	119	128 Å²	128	83%	0.832	78%	0.778	S	S	*	*			trans	-119.9	101.2	162.9	62.9	0	0	0	0	109.3
233	D	27.7	Very low	32.8	Very low	168 Å²	168	126.7 Å²	126.7	90%	0.898	78%	0.775	S	S	*	*			trans	-58.4	134.5	160.8	-100.1	-35.4	0	0	0	110.3
234	G	27.3	Very low	34.3	Very low	63 Å²	63	127.5 Å²	127.5	65%	0.649	76%	0.758	S	S	*	*			trans	-174.2	75.8	178	0	0	0	0	0	110.6	T236	G234-T236 PolarHBondContact O-N 2.97Å
235	Q	34.5	Very low	36	Very low	199 Å²	199	125.4 Å²	125.4	93%	0.93	73%	0.731	S	S	*	*			trans	-50.5	109.1	171.5	-75.8	175.9	-18.7	0	0	110.8
236	T	27.2	Very low	37.3	Very low	126 Å²	126	124.3 Å²	124.3	77%	0.773	71%	0.707	S	S	*	*			trans	-139.5	121	154.9	-18	0	0	0	0	106.8	G234 S238	G234-T236 PolarHBondContact O-N 2.97Å; T236-S238 PolarHBondContact O-N 3.18Å
237	S	31.9	Very low	38.7	Very low	128 Å²	128	121 Å²	121	90%	0.895	68%	0.684	S	S	*	*			trans	-54.5	94.6	-176.7	51.1	0	0	0	0	111.9
238	S	31.3	Very low	40	Very low	100 Å²	100	116 Å²	116	70%	0.699	65%	0.649	S	S	*	*			trans	-84.3	124	171.3	46.5	0	0	0	0	109.1	T236 Q240	T236-S238 PolarHBondContact O-N 3.18Å; S238-Q240 PolarHBondContact O-N 3.23Å; S238-Q240 VanDerWaalsContact O-N 3.12Å
239	Q	38.8	Very low	41.2	Very low	166 Å²	166	112 Å²	112	78%	0.776	62%	0.616	S	S	*	*			trans	-53.8	118.3	163.2	-75.5	171.6	-16.5	0	0	107.5	V241	Q239-V241 PolarHBondContact O-N 3.07Å
240	Q	40	Very low	42.4	Very low	184 Å²	184	108.7 Å²	108.7	86%	0.86	60%	0.601	S	S	*	*			trans	-59	107.3	-175.6	-72.5	173	-23.9	0	0	109.7	S238	S238-Q240 PolarHBondContact O-N 3.23Å; S238-Q240 VanDerWaalsContact O-N 3.12Å
241	V	47.1	Very low	43.6	Very low	36 Å²	36	104.6 Å²	104.6	22%	0.218	58%	0.582	C	S	.	*			trans	-71.1	130.8	162.9	-177.2	0	0	0	0	106.3	P86 V87 Q239 E243 F246	P86-V241 HydrophobicContact CB-CG2 4.45Å; P86-V241 HydrophobicContact CG-CG2 3.81Å; V87-V241 HydrophobicContact CG2-CG1 3.77Å; Q239-V241 PolarHBondContact O-N 3.07Å; V241-E243 PolarHBondContact O-N 2.9Å; V241-F246 HydrophobicContact CB-CE2 4.3Å; V241-F246 HydrophobicContact CG1-CD2 4.4Å; V241-F246 HydrophobicContact CG1-CE2 3.84Å
242	P	54.8	Low	44.5	Very low	55 Å²	55	100 Å²	100	36%	0.357	55%	0.55	S	S	.	.			trans	-56.5	125.2	177.8	-24.4	33.7	0	0	0	111.1	D244 I245	P242-D244 PolarHBondContact O-N 2.97Å; P242-D244 VanDerWaalsContact O-N 3.13Å; P242-I245 PolarHBondContact O-N 2.9Å
243	E	54.1	Low	45.5	Very low	172 Å²	172	99.9 Å²	99.9	80%	0.804	54%	0.54	S	S	*	.	H	α-helix	trans	-56.1	-28.4	179	-70.9	-179.3	160.8	0	0	112.5	V241 I245 F246 S247	V241-E243 PolarHBondContact O-N 2.9Å; E243-I245 PolarHBondContact O-N 3.3Å; E243-F246 PolarHBondContact O-N 3.32Å; E243-F246 VanDerWaalsContact O-N 3.13Å; E243-S247 PolarHBondContact O-N 3.01Å; E243-S247 VanDerWaalsContact O-N 3.17Å; E243-S247 PolarHBondContact O-OG 3.2Å
244	D	58.7	Low	46.3	Very low	109 Å²	109	98.2 Å²	98.2	58%	0.583	53%	0.525	S	S	*	.	H	α-helix	trans	-56.3	-29	178.9	-161.1	21.6	0	0	0	113.8	P242 S247 Y248	P242-D244 PolarHBondContact O-N 2.97Å; P242-D244 VanDerWaalsContact O-N 3.13Å; D244-S247 WeakPolarHBondContact CA-OG 3.19Å; D244-S247 PolarHBondContact O-OG 3.16Å; D244-Y248 VanDerWaalsContact O-CB 3.31Å; D244-Y248 WeakPolarHBondContact O-CB 3.48Å; D244-Y248 PolarHBondContact O-N 2.98Å
245	I	59.3	Low	47	Very low	22 Å²	22	101.1 Å²	101.1	11%	0.113	52%	0.522	C	S	.	.	H	α-helix	trans	-74.2	-43.7	178.8	-63.4	175.4	0	0	0	110.5	V87 P242 E243 Y249	V87-I245 HydrophobicContact CG1-CG2 4.15Å; P242-I245 PolarHBondContact O-N 2.9Å; E243-I245 PolarHBondContact O-N 3.3Å; I245-Y249 HydrophobicContact CG2-CD2 4.04Å; I245-Y249 HydrophobicContact CG2-CE2 3.61Å; I245-Y249 WeakPolarHBondContact O-CD2 3.42Å; I245-Y249 PolarHBondContact O-N 3.1Å
246	F	55.1	Low	47.3	Very low	81 Å²	81	98 Å²	98	36%	0.355	51%	0.507	S	S	.	.	H	α-helix	trans	-71.2	-42.3	-177.8	-78.3	-83	0	0	0	112.1	Y90 V241 E243 Y248 Y249 E250	Y90-F246 HydrophobicContact CD2-CE1 4.44Å; Y90-F246 AromaticContact CE2-CD1 3.95Å; Y90-F246 HydrophobicContact CE2-CD1 3.95Å; Y90-F246 AromaticContact CE2-CE1 3.4Å; Y90-F246 HydrophobicContact CE2-CE1 3.4Å; Y90-F246 VanDerWaalsContact CE2-CE1 3.4Å; Y90-F246 HydrophobicContact CE2-CZ 4.17Å; Y90-F246 AromaticContact CZ-CD1 3.95Å; Y90-F246 AromaticContact CZ-CE1 3.76Å; Y90-F246 WeakPolarHBondContact OH-CE1 3.43Å; V241-F246 HydrophobicContact CB-CE2 4.3Å; V241-F246 HydrophobicContact CG1-CD2 4.4Å; V241-F246 HydrophobicContact CG1-CE2 3.84Å; E243-F246 PolarHBondContact O-N 3.32Å; E243-F246 VanDerWaalsContact O-N 3.13Å; F246-Y248 VanDerWaalsContact C-N 3.26Å; F246-Y248 PolarHBondContact O-N 3.19Å; F246-Y249 PolarHBondContact O-N 3.05Å; F246-E250 PolarHBondContact O-N 3.24Å
247	S	54.8	Low	47.8	Very low	48 Å²	48	97.7 Å²	97.7	34%	0.336	50%	0.497	S	S	.	.	H	α-helix	trans	-62.5	-34.2	177.6	52.6	0	0	0	0	112.7	E243 D244 Q251	E243-S247 PolarHBondContact O-N 3.01Å; E243-S247 VanDerWaalsContact O-N 3.17Å; E243-S247 PolarHBondContact O-OG 3.2Å; D244-S247 WeakPolarHBondContact CA-OG 3.19Å; D244-S247 PolarHBondContact O-OG 3.16Å; S247-Q251 VanDerWaalsContact O-CG 3.24Å; S247-Q251 WeakPolarHBondContact O-CG 3.39Å; S247-Q251 PolarHBondContact O-N 3.05Å; S247-Q251 VanDerWaalsContact O-N 3.08Å
248	Y	55.4	Low	47.9	Very low	36 Å²	36	99.1 Å²	99.1	14%	0.141	49%	0.489	C	S	.	.	H	α-helix	trans	-70.8	-38.7	179.3	-172.1	-114.4	0	0	0	112.3	E133 Y134 K137 D244 F246 Q251 M252	E133-Y248 PolarHBondContact OE2-OH 3.1Å; Y134-Y248 HydrophobicContact CD1-CE1 4.32Å; Y134-Y248 HydrophobicContact CD2-CE1 4.27Å; Y134-Y248 AromaticContact CE1-CD1 3.65Å; Y134-Y248 HydrophobicContact CE1-CD1 3.65Å; Y134-Y248 AromaticContact CE1-CE1 3.61Å; Y134-Y248 HydrophobicContact CE1-CE1 3.61Å; Y134-Y248 HydrophobicContact CE2-CD1 4.33Å; Y134-Y248 AromaticContact CE2-CE1 3.54Å; Y134-Y248 HydrophobicContact CE2-CE1 3.54Å; Y134-Y248 AromaticContact CZ-CD1 3.51Å; Y134-Y248 AromaticContact CZ-CE1 3.17Å; Y134-Y248 VanDerWaalsContact OH-CD1 3.23Å; Y134-Y248 WeakPolarHBondContact OH-CD1 3.35Å; Y134-Y248 WeakPolarHBondContact OH-CE1 3.39Å; K137-Y248 HydrophobicContact CD-CD1 4.38Å; K137-Y248 HydrophobicContact CD-CE1 4.39Å; D244-Y248 VanDerWaalsContact O-CB 3.31Å; D244-Y248 WeakPolarHBondContact O-CB 3.48Å; D244-Y248 PolarHBondContact O-N 2.98Å; F246-Y248 VanDerWaalsContact C-N 3.26Å; F246-Y248 PolarHBondContact O-N 3.19Å; Y248-Q251 PolarHBondContact O-N 3.41Å; Y248-M252 HydrophobicContact CE1-SD 4.2Å; Y248-M252 WeakPolarHBondContact O-CG 3.37Å; Y248-M252 PolarHBondContact O-N 3.48Å
249	Y	54.4	Low	48.3	Very low	32 Å²	32	100.1 Å²	100.1	13%	0.125	48%	0.483	C	S	.	.	H	α-helix	trans	-65.1	-40.8	173.8	-76.9	-67.9	0	0	0	112.6	Y90 Y134 I245 F246 Q251 M252 D253	Y90-Y249 HydrophobicContact CD1-CD1 4.14Å; Y90-Y249 AromaticContact CD1-CD2 3.84Å; Y90-Y249 HydrophobicContact CD1-CD2 3.84Å; Y90-Y249 HydrophobicContact CD1-CE1 4.45Å; Y90-Y249 HydrophobicContact CD1-CE2 4.19Å; Y90-Y249 AromaticContact CD1-CG 3.84Å; Y90-Y249 HydrophobicContact CD1-CG 3.84Å; Y90-Y249 HydrophobicContact CE1-CD2 4.4Å; Y90-Y249 HydrophobicContact CE1-CG 4.35Å; Y90-Y249 AromaticContact CG-CD2 3.99Å; Y90-Y249 HydrophobicContact CG-CD2 3.99Å; Y90-Y249 AromaticContact CG-CE2 3.94Å; Y90-Y249 HydrophobicContact CG-CE2 3.94Å; Y90-Y249 HydrophobicContact CG-CG 4.42Å; Y134-Y249 HydrophobicContact CD1-CE1 4.1Å; Y134-Y249 AromaticContact CD1-CZ 3.94Å; Y134-Y249 HydrophobicContact CE1-CD1 4.01Å; Y134-Y249 AromaticContact CE1-CE1 3.31Å; Y134-Y249 HydrophobicContact CE1-CE1 3.31Å; Y134-Y249 HydrophobicContact CE1-CE2 4.24Å; Y134-Y249 AromaticContact CE1-CZ 3.43Å; Y134-Y249 VanDerWaalsContact CE1-CZ 3.43Å; Y134-Y249 AromaticContact CZ-CE1 3.91Å; I245-Y249 HydrophobicContact CG2-CD2 4.04Å; I245-Y249 HydrophobicContact CG2-CE2 3.61Å; I245-Y249 WeakPolarHBondContact O-CD2 3.42Å; I245-Y249 PolarHBondContact O-N 3.1Å; F246-Y249 PolarHBondContact O-N 3.05Å; Y249-Q251 PolarHBondContact O-N 2.86Å; Y249-M252 PolarHBondContact O-N 3.06Å; Y249-D253 PolarHBondContact O-N 3.45Å; Y249-D253 VanDerWaalsContact O-N 3.1Å
250	E	54.6	Low	48.6	Very low	125 Å²	125	99 Å²	99	58%	0.584	48%	0.477	S	S	*	.	H	α-helix	trans	-67.5	-25.1	174.7	-75.1	-171.6	179.1	0	0	113.3	F246 K254	F246-E250 PolarHBondContact O-N 3.24Å; E250-K254 WeakPolarHBondContact O-CD 3.4Å; E250-K254 VanDerWaalsContact O-CG 3.28Å; E250-K254 WeakPolarHBondContact O-CG 3.39Å
251	Q	53	Low	48.7	Very low	101 Å²	101	97 Å²	97	47%	0.472	47%	0.468	S	S	.	.	H	α-helix	trans	-76.2	-39.4	173.7	-76.8	170.5	-3.4	0	0	111.2	S247 Y248 Y249 K254 E255	S247-Q251 VanDerWaalsContact O-CG 3.24Å; S247-Q251 WeakPolarHBondContact O-CG 3.39Å; S247-Q251 PolarHBondContact O-N 3.05Å; S247-Q251 VanDerWaalsContact O-N 3.08Å; Y248-Q251 PolarHBondContact O-N 3.41Å; Y249-Q251 PolarHBondContact O-N 2.86Å; Q251-K254 CarbonylContact O-C 3.55Å; Q251-K254 WeakPolarHBondContact O-CA 3.32Å; Q251-K254 WeakPolarHBondContact O-CB 3.18Å; Q251-K254 PolarHBondContact O-N 3.44Å; Q251-K254 VanDerWaalsContact O-N 3.1Å; Q251-E255 WeakPolarHBondContact O-CG 3.41Å; Q251-E255 PolarHBondContact O-N 3.09Å
252	M	49	Very low	49.2	Very low	30 Å²	30	98.1 Å²	98.1	15%	0.148	48%	0.475	C	S	.	.	H	α-helix	trans	-68.3	-39	177	-67.3	-139.6	-5.8	0	0	113.9	L126 Y134 Y248 Y249 K254 E255 E256	L126-M252 HydrophobicContact CD2-CE 4.46Å; Y134-M252 HydrophobicContact CE2-CE 3.59Å; Y134-M252 HydrophobicContact CE2-SD 3.3Å; Y134-M252 WeakPolarHBondContact CE2-SD 3.46Å; Y134-M252 VanDerWaalsContact CZ-SD 3.5Å; Y134-M252 WeakPolarHBondContact OH-CE 3.22Å; Y134-M252 VanDerWaalsContact OH-CG 3.24Å; Y134-M252 WeakPolarHBondContact OH-CG 3.39Å; Y134-M252 PolarHBondContact OH-SD 3.42Å; Y248-M252 HydrophobicContact CE1-SD 4.2Å; Y248-M252 WeakPolarHBondContact O-CG 3.37Å; Y248-M252 PolarHBondContact O-N 3.48Å; Y249-M252 PolarHBondContact O-N 3.06Å; M252-K254 PolarHBondContact O-N 3.21Å; M252-E255 PolarHBondContact O-N 3.32Å; M252-E256 PolarHBondContact O-N 3.25Å
253	D	47.4	Very low	49.8	Very low	117 Å²	117	102.4 Å²	102.4	63%	0.626	49%	0.491	S	S	*	.	H	α-helix	trans	-61.3	-23.9	172.9	-82.4	-5.6	0	0	0	111.5	Y249	Y249-D253 PolarHBondContact O-N 3.45Å; Y249-D253 VanDerWaalsContact O-N 3.1Å
254	K	44.6	Very low	50.8	Low	133 Å²	133	94.8 Å²	94.8	58%	0.578	46%	0.455	S	S	*	.	H	α-helix	trans	-88.4	-35.5	175	-70.1	170.6	-173	161.3	0	112.9	E250 Q251 M252 E257	E250-K254 WeakPolarHBondContact O-CD 3.4Å; E250-K254 VanDerWaalsContact O-CG 3.28Å; E250-K254 WeakPolarHBondContact O-CG 3.39Å; Q251-K254 CarbonylContact O-C 3.55Å; Q251-K254 WeakPolarHBondContact O-CA 3.32Å; Q251-K254 WeakPolarHBondContact O-CB 3.18Å; Q251-K254 PolarHBondContact O-N 3.44Å; Q251-K254 VanDerWaalsContact O-N 3.1Å; M252-K254 PolarHBondContact O-N 3.21Å; K254-E257 WeakPolarHBondContact O-CB 3.38Å; K254-E257 PolarHBondContact O-N 3.12Å
255	E	41.8	Very low	52	Low	124 Å²	124	90.4 Å²	90.4	58%	0.579	43%	0.433	S	S	*	.	H	α-helix	trans	-71.7	-30.6	176.8	-74.8	175.3	176.9	0	0	111.9	Q251 M252 E257 E258	Q251-E255 WeakPolarHBondContact O-CG 3.41Å; Q251-E255 PolarHBondContact O-N 3.09Å; M252-E255 PolarHBondContact O-N 3.32Å; E255-E257 PolarHBondContact O-N 3.31Å; E255-E258 PolarHBondContact O-N 3.07Å
256	E	40.1	Very low	53.1	Low	133 Å²	133	89.4 Å²	89.4	62%	0.621	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-16.1	168.7	-86.2	-167.6	166.4	0	0	113.3	M252	M252-E256 PolarHBondContact O-N 3.25Å
257	E	37.7	Very low	54.6	Low	120 Å²	120	85.8 Å²	85.8	56%	0.561	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-6.1	176.5	-71	-166.7	151	0	0	114.1	K254 E255	K254-E257 WeakPolarHBondContact O-CB 3.38Å; K254-E257 PolarHBondContact O-N 3.12Å; E255-E257 PolarHBondContact O-N 3.31Å
258	E	34.9	Very low	56.1	Low	157 Å²	157	85.5 Å²	85.5	73%	0.734	41%	0.405	S	S	*	.			trans	-79.6	128.1	179.9	-66.3	-162.3	162.3	0	0	112.4	E255 E260	E255-E258 PolarHBondContact O-N 3.07Å; E258-E260 PolarHBondContact O-N 3.05Å
259	E	39.2	Very low	57.5	Low	122 Å²	122	84 Å²	84	57%	0.57	40%	0.399	S	S	*	.			trans	-79.5	107.2	-178.4	-63.9	-175.7	159.5	0	0	110.8	K212 S213	K212-E259 WeakPolarHBondContact CA-OE1 3.49Å; S213-E259 PolarHBondContact N-OE1 3.45Å
260	E	44.3	Very low	58.8	Low	141 Å²	141	87.7 Å²	87.7	66%	0.659	41%	0.413	S	S	*	.			trans	-88.1	122.7	170.9	-72.6	-168.9	159.3	0	0	112	E258 T262	E258-E260 PolarHBondContact O-N 3.05Å; E260-T262 HydrophobicContact CB-CG2 4.47Å; E260-T262 PolarHBondContact O-N 3.49Å
261	E	42	Very low	59.7	Low	143 Å²	143	85.6 Å²	85.6	67%	0.668	40%	0.403	S	S	*	.			trans	-78	103.6	168	-73.9	-171.6	157.5	0	0	110.5	H210	H210-E261 IonicContact CE1-OE1 3.04Å; H210-E261 PolarHBondContact CE1-OE1 2.81Å; H210-E261 IonicContact ND1-OE1 3.1Å; H210-E261 PolarHBondContact ND1-OE1 2.77Å
262	T	57.3	Low	60.8	Low	59 Å²	59	89.6 Å²	89.6	36%	0.362	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	126.1	177	58.2	0	0	0	0	112.2	E260	E260-T262 HydrophobicContact CB-CG2 4.47Å; E260-T262 PolarHBondContact O-N 3.49Å
263	Q	67.4	Low	62.3	Low	146 Å²	146	89.9 Å²	89.9	68%	0.682	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	135.2	167.7	-64.7	-178.8	-6.4	0	0	109.8	A175 V208	A175-Q263 WeakPolarHBondContact CA-O 3.31Å; V208-Q263 HydrophobicContact CG2-CG 4.46Å
264	T	75.1	Confident	63.7	Low	11 Å²	11	85.9 Å²	85.9	7%	0.067	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138	-179.2	56.8	0	0	0	0	111.6	S174 T206 E207 I209	S174-T264 WeakPolarHBondContact O-CA 3.29Å; T206-T264 WeakPolarHBondContact CA-O 3.29Å; E207-T264 PolarHBondContact N-O 3.26Å; E207-T264 PolarHBondContact O-N 2.84Å; E207-T264 PolarHBondContact O-OG1 3.38Å; I209-T264 HydrophobicContact CD1-CG2 4.38Å
265	V	84	Confident	65.1	Low	17 Å²	17	82.7 Å²	82.7	10%	0.103	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	137.2	176	-179.9	0	0	0	0	108.6	E173 S174 P177 I180 L204 I205 T206	E173-V265 WeakPolarHBondContact CA-O 3.47Å; S174-V265 PolarHBondContact N-O 2.99Å; S174-V265 PolarHBondContact O-N 3.45Å; P177-V265 HydrophobicContact CB-CG2 4.18Å; P177-V265 HydrophobicContact CG-CG2 3.94Å; I180-V265 HydrophobicContact CD1-CB 4.15Å; I180-V265 HydrophobicContact CD1-CG1 4.16Å; I180-V265 WeakPolarHBondContact CD1-O 3.29Å; L204-V265 HydrophobicContact CB-CG1 4.05Å; L204-V265 HydrophobicContact CD1-CG1 4.38Å; L204-V265 HydrophobicContact CD2-CG1 3.82Å; L204-V265 HydrophobicContact CG-CG1 4.3Å; I205-V265 WeakPolarHBondContact O-CA 3.35Å; T206-V265 HydrophobicContact CG2-CG2 3.95Å
266	S	83.8	Confident	66.9	Low	1 Å²	1	81.7 Å²	81.7	1%	0.007	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	155.9	-178.9	70.1	0	0	0	0	116.3	V172 I205	V172-S266 CarbonylContact O-C 3.57Å; V172-S266 WeakPolarHBondContact O-CA 3.49Å; V172-S266 WeakPolarHBondContact O-CB 3.47Å; I205-S266 PolarHBondContact N-O 3Å; I205-S266 VanDerWaalsContact N-O 3.16Å; I205-S266 PolarHBondContact O-N 2.93Å
267	F	86.5	Confident	69	Low	6 Å²	6	75.4 Å²	75.4	3%	0.026	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	150.8	172.7	68.1	-93	0	0	0	112.8	F171 V172 I180 L183 L184 I189 R193 L204 I269	F171-F267 VanDerWaalsContact CA-O 3.3Å; F171-F267 WeakPolarHBondContact CA-O 3.48Å; V172-F267 HydrophobicContact CB-CD1 4.11Å; V172-F267 HydrophobicContact CB-CE1 3.61Å; V172-F267 HydrophobicContact CB-CE2 4.06Å; V172-F267 HydrophobicContact CB-CZ 3.59Å; V172-F267 HydrophobicContact CG1-CE1 3.91Å; V172-F267 HydrophobicContact CG1-CZ 4.04Å; V172-F267 HydrophobicContact CG2-CD2 4.47Å; V172-F267 HydrophobicContact CG2-CE1 4.11Å; V172-F267 HydrophobicContact CG2-CE2 3.74Å; V172-F267 HydrophobicContact CG2-CZ 3.53Å; V172-F267 PolarHBondContact N-O 3.07Å; V172-F267 PolarHBondContact O-N 3.09Å; V172-F267 VanDerWaalsContact O-N 3.09Å; I180-F267 HydrophobicContact CD1-CD1 4.4Å; I180-F267 HydrophobicContact CD1-CE1 4.47Å; I180-F267 HydrophobicContact CG1-CE1 4.47Å; I180-F267 HydrophobicContact CG2-CD1 3.95Å; I180-F267 HydrophobicContact CG2-CE1 4Å; L183-F267 HydrophobicContact CD2-CZ 4.24Å; L184-F267 HydrophobicContact CD2-CD1 4.3Å; L184-F267 HydrophobicContact CD2-CD2 4.44Å; L184-F267 HydrophobicContact CD2-CE1 4.1Å; L184-F267 HydrophobicContact CD2-CE2 4.25Å; L184-F267 HydrophobicContact CD2-CG 4.46Å; L184-F267 HydrophobicContact CD2-CZ 4.07Å; L184-F267 HydrophobicContact CG-CE1 4.37Å; I189-F267 HydrophobicContact CG2-CZ 4.28Å; R193-F267 HydrophobicContact CG-CD2 4.17Å; L204-F267 HydrophobicContact CD2-CB 4.28Å; F267-I269 HydrophobicContact CD2-CG1 4.48Å; F267-I269 HydrophobicContact CE2-CG1 4.19Å
268	E	84.9	Confident	70.9	Confident	41 Å²	41	71.3 Å²	71.3	19%	0.192	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	145.5	-176.1	-167.8	176.3	166.9	0	0	113.5	R169 Y170 F171 L194	R169-E268 HydrophobicContact CB-CG 4.27Å; R169-E268 WeakPolarHBondContact CD-OE1 3.41Å; R169-E268 WeakPolarHBondContact CG-OE1 3.37Å; R169-E268 IonicContact CZ-OE1 2.69Å; R169-E268 IonicContact NE-OE1 2.81Å; R169-E268 IonicContact NH1-OE1 3.43Å; R169-E268 PolarHBondContact NH1-OE1 3.4Å; R169-E268 VanDerWaalsContact NH1-OE1 3.09Å; R169-E268 IonicContact NH1-OE2 3.57Å; R169-E268 PolarHBondContact NH1-OE2 2.85Å; Y170-E268 WeakPolarHBondContact O-CA 3.3Å; F171-E268 HydrophobicContact CD1-CB 4.08Å; F171-E268 HydrophobicContact CE1-CB 3.74Å; F171-E268 HydrophobicContact CE1-CG 4.09Å; F171-E268 HydrophobicContact CZ-CB 4.3Å; F171-E268 HydrophobicContact CZ-CG 4.15Å; L194-E268 HydrophobicContact CB-CB 4.46Å; L194-E268 HydrophobicContact CB-CG 4.28Å; L194-E268 PolarHBondContact N-O 3.35Å; L194-E268 VanDerWaalsContact N-O 3.07Å
269	I	86.2	Confident	72.9	Confident	4 Å²	4	67 Å²	67	2%	0.021	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	148.5	-175	-47.7	152.2	0	0	0	111.5	L163 Y170 V172 C192 F267 L277	L163-I269 HydrophobicContact CD1-CD1 3.66Å; Y170-I269 PolarHBondContact O-N 3.01Å; V172-I269 HydrophobicContact CB-CD1 4.48Å; V172-I269 HydrophobicContact CG2-CD1 3.24Å; V172-I269 HydrophobicContact CG2-CG1 3.76Å; C192-I269 HydrophobicContact CB-CG2 4.16Å; C192-I269 WeakPolarHBondContact O-CG2 3.34Å; F267-I269 HydrophobicContact CD2-CG1 4.48Å; F267-I269 HydrophobicContact CE2-CG1 4.19Å; I269-L277 HydrophobicContact CD1-CD2 3.33Å; I269-L277 HydrophobicContact CG1-CD2 3.92Å; I269-L277 HydrophobicContact CG2-CD2 3.89Å
270	R	81.9	Confident	75	Confident	111 Å²	111	64.4 Å²	64.4	42%	0.419	30%	0.299	S	S	.	.			trans	-68.7	126.8	167.2	-66.9	-170.8	-74.5	167.2	1.3	112.2	E191 C192 L194 E272 M273	E191-R270 VanDerWaalsContact O-CZ 3.32Å; E191-R270 PolarHBondContact O-NE 2.85Å; E191-R270 PolarHBondContact O-NH2 2.85Å; C192-R270 PolarHBondContact O-N 3.18Å; L194-R270 HydrophobicContact CB-CG 4.45Å; L194-R270 HydrophobicContact CD1-CB 4.46Å; L194-R270 HydrophobicContact CD1-CG 3.7Å; L194-R270 HydrophobicContact CG-CG 4.18Å; R270-E272 PolarHBondContact O-N 2.76Å; R270-M273 HydrophobicContact CB-CG 4.3Å; R270-M273 PolarHBondContact O-N 3.48Å
271	Q	72.3	Confident	76.7	Confident	80 Å²	80	57.7 Å²	57.7	37%	0.374	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-60	-40.6	-175.1	179.9	168.1	30.7	0	0	114.8	Y170 M273 I274 Q456	Y170-Q271 HydrophobicContact CD2-CB 4.42Å; Y170-Q271 HydrophobicContact CD2-CG 4.3Å; Y170-Q271 HydrophobicContact CE2-CG 3.96Å; Q271-M273 PolarHBondContact O-N 2.88Å; Q271-I274 PolarHBondContact O-N 3.21Å; Q271-Q456 VanDerWaalsContact NE2-CD 3.3Å
272	E	76.4	Confident	78.3	Confident	186 Å²	186	51.4 Å²	51.4	87%	0.869	24%	0.239	S	C	*	.	G	3₁₀ helix	trans	-64.1	-25.5	-177.6	-62.2	179.3	174.2	0	0	112.5	R270	R270-E272 PolarHBondContact O-N 2.76Å
273	M	80.3	Confident	79.3	Confident	36 Å²	36	52.9 Å²	52.9	18%	0.177	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-95.3	8.1	-174.8	-56.1	-64.8	-73	0	0	112.8	C192 R270 Q271 E275 E276 L277	C192-M273 HydrophobicContact CB-CB 4.3Å; R270-M273 HydrophobicContact CB-CG 4.3Å; R270-M273 PolarHBondContact O-N 3.48Å; Q271-M273 PolarHBondContact O-N 2.88Å; M273-E275 VanDerWaalsContact C-N 3.3Å; M273-E275 PolarHBondContact O-N 3.29Å; M273-E276 WeakPolarHBondContact CE-OE2 3.45Å; M273-E276 PolarHBondContact O-N 2.91Å; M273-L277 WeakPolarHBondContact O-CB 3.41Å; M273-L277 PolarHBondContact O-N 3.38Å
274	I	77.6	Confident	79.9	Confident	32 Å²	32	48.6 Å²	48.6	16%	0.164	22%	0.223	C	C	.	.	H	α-helix	trans	-64.7	-35.3	-173.1	-153.6	164.9	0	0	0	112.7	L163 Y170 Q271 L277 Q278	L163-I274 HydrophobicContact CD1-CD1 4.39Å; L163-I274 HydrophobicContact CD2-CD1 3.93Å; L163-I274 HydrophobicContact CD2-CG1 4.19Å; Y170-I274 HydrophobicContact CD1-CD1 3.23Å; Y170-I274 HydrophobicContact CD2-CD1 3.74Å; Y170-I274 HydrophobicContact CE1-CD1 3.35Å; Y170-I274 HydrophobicContact CE2-CD1 3.88Å; Y170-I274 HydrophobicContact CG-CD1 3.41Å; Y170-I274 VanDerWaalsContact CG-CD1 3.41Å; Q271-I274 PolarHBondContact O-N 3.21Å; I274-L277 PolarHBondContact O-N 2.83Å; I274-Q278 WeakPolarHBondContact O-CB 3Å; I274-Q278 VanDerWaalsContact O-CG 3.25Å; I274-Q278 WeakPolarHBondContact O-CG 2.99Å; I274-Q278 PolarHBondContact O-N 3.41Å
275	E	73.3	Confident	79.9	Confident	67 Å²	67	50.8 Å²	50.8	31%	0.313	23%	0.233	S	C	.	.	H	α-helix	trans	-68.3	-41.8	177.3	-175.9	179.8	164.9	0	0	110.6	M273 Q278 K279	M273-E275 VanDerWaalsContact C-N 3.3Å; M273-E275 PolarHBondContact O-N 3.29Å; E275-Q278 PolarHBondContact O-N 3.33Å; E275-K279 HydrophobicContact CG-CD 4.33Å; E275-K279 WeakPolarHBondContact O-CB 3.31Å; E275-K279 VanDerWaalsContact O-CG 3.26Å; E275-K279 WeakPolarHBondContact O-CG 3.48Å; E275-K279 PolarHBondContact O-N 3.13Å; E275-K279 WeakPolarHBondContact OE1-CE 3.39Å; E275-K279 IonicContact OE1-NZ 3.36Å; E275-K279 PolarHBondContact OE1-NZ 3.45Å
276	E	79.9	Confident	79.7	Confident	103 Å²	103	52.4 Å²	52.4	48%	0.481	24%	0.237	S	C	.	.	H	α-helix	trans	-66.1	-41.4	177	-62.4	-171.7	-170	0	0	111.2	M273 K279 R280	M273-E276 WeakPolarHBondContact CE-OE2 3.45Å; M273-E276 PolarHBondContact O-N 2.91Å; E276-K279 PolarHBondContact O-N 3.33Å; E276-R280 WeakPolarHBondContact O-CB 3.21Å; E276-R280 PolarHBondContact O-N 3.47Å
277	L	83.8	Confident	79.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-51.2	173.2	178.9	69.8	0	0	0	111.1	V172 I189 C192 I269 M273 I274 K279 R280 C281 L288	V172-L277 HydrophobicContact CG2-CD2 4.1Å; I189-L277 HydrophobicContact CB-CD1 4.24Å; I189-L277 HydrophobicContact CD1-CD1 4.14Å; I189-L277 HydrophobicContact CG1-CD1 3.85Å; I189-L277 HydrophobicContact CG2-CD1 3.82Å; C192-L277 HydrophobicContact CB-CD1 4.42Å; I269-L277 HydrophobicContact CD1-CD2 3.33Å; I269-L277 HydrophobicContact CG1-CD2 3.92Å; I269-L277 HydrophobicContact CG2-CD2 3.89Å; M273-L277 WeakPolarHBondContact O-CB 3.41Å; M273-L277 PolarHBondContact O-N 3.38Å; I274-L277 PolarHBondContact O-N 2.83Å; L277-K279 VanDerWaalsContact C-N 3.29Å; L277-K279 PolarHBondContact O-N 3.2Å; L277-R280 PolarHBondContact O-N 2.96Å; L277-R280 VanDerWaalsContact O-N 3.13Å; L277-C281 VanDerWaalsContact O-CB 3.24Å; L277-C281 WeakPolarHBondContact O-CB 3.42Å; L277-C281 PolarHBondContact O-N 3Å; L277-C281 PolarHBondContact O-SG 3.32Å; L277-C281 VanDerWaalsContact O-SG 3.36Å; L277-L288 HydrophobicContact CD2-CD1 3.84Å; L277-L288 HydrophobicContact CG-CD1 3.98Å
278	Q	77.9	Confident	79	Confident	34 Å²	34	54.8 Å²	54.8	16%	0.159	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-41.8	179.7	-77.6	-179.8	-22.9	0	0	111.6	I274 E275 I282 L288 F479	I274-Q278 WeakPolarHBondContact O-CB 3Å; I274-Q278 VanDerWaalsContact O-CG 3.25Å; I274-Q278 WeakPolarHBondContact O-CG 2.99Å; I274-Q278 PolarHBondContact O-N 3.41Å; E275-Q278 PolarHBondContact O-N 3.33Å; Q278-I282 WeakPolarHBondContact O-CG1 3.21Å; Q278-I282 PolarHBondContact O-N 3.31Å; Q278-L288 HydrophobicContact CG-CD1 3.85Å; Q278-F479 HydrophobicContact CB-CE2 3.69Å; Q278-F479 HydrophobicContact CB-CZ 3.47Å; Q278-F479 VanDerWaalsContact CB-CZ 3.47Å; Q278-F479 HydrophobicContact CG-CZ 4.48Å
279	K	76.6	Confident	78.6	Confident	68 Å²	68	53.6 Å²	53.6	30%	0.296	25%	0.247	S	C	.	.	H	α-helix	trans	-62.9	-45.1	173.6	-74.4	172.1	-175.2	166.5	0	111.9	E275 E276 L277 I282 Q283 F479	E275-K279 HydrophobicContact CG-CD 4.33Å; E275-K279 WeakPolarHBondContact O-CB 3.31Å; E275-K279 VanDerWaalsContact O-CG 3.26Å; E275-K279 WeakPolarHBondContact O-CG 3.48Å; E275-K279 PolarHBondContact O-N 3.13Å; E275-K279 WeakPolarHBondContact OE1-CE 3.39Å; E275-K279 IonicContact OE1-NZ 3.36Å; E275-K279 PolarHBondContact OE1-NZ 3.45Å; E276-K279 PolarHBondContact O-N 3.33Å; L277-K279 VanDerWaalsContact C-N 3.29Å; L277-K279 PolarHBondContact O-N 3.2Å; K279-I282 WeakPolarHBondContact O-CB 3.33Å; K279-I282 PolarHBondContact O-N 3.22Å; K279-Q283 WeakPolarHBondContact O-CG 3.37Å; K279-Q283 PolarHBondContact O-N 3.25Å; K279-Q283 VanDerWaalsContact O-N 3.07Å; K279-F479 HydrophobicContact CG-CZ 4.38Å
280	R	83.6	Confident	78.2	Confident	66 Å²	66	54.8 Å²	54.8	25%	0.249	26%	0.257	C	S	.	.	H	α-helix	trans	-67.4	-43.5	-178.8	-174.1	57.8	178	165.1	5.3	112.1	D186 L188 I189 E276 L277 I282 Q283 L284	D186-R280 IonicContact OD1-NE 2.72Å; D186-R280 PolarHBondContact OD1-NE 3.32Å; D186-R280 IonicContact OD2-CZ 2.64Å; D186-R280 VanDerWaalsContact OD2-CZ 3.25Å; D186-R280 IonicContact OD2-NE 3.06Å; D186-R280 PolarHBondContact OD2-NE 2.86Å; D186-R280 IonicContact OD2-NH2 3.85Å; D186-R280 PolarHBondContact OD2-NH2 3.31Å; L188-R280 HydrophobicContact CB-CG 4.16Å; L188-R280 HydrophobicContact CD1-CG 4.32Å; I189-R280 HydrophobicContact CD1-CG 4.15Å; I189-R280 HydrophobicContact CG1-CB 4.47Å; I189-R280 HydrophobicContact CG1-CG 3.9Å; E276-R280 WeakPolarHBondContact O-CB 3.21Å; E276-R280 PolarHBondContact O-N 3.47Å; L277-R280 PolarHBondContact O-N 2.96Å; L277-R280 VanDerWaalsContact O-N 3.13Å; R280-I282 PolarHBondContact O-N 3.35Å; R280-Q283 WeakPolarHBondContact O-CB 3.4Å; R280-Q283 PolarHBondContact O-N 3.46Å; R280-L284 HydrophobicContact CG-CD1 4.22Å; R280-L284 WeakPolarHBondContact O-CG 3.06Å; R280-L284 PolarHBondContact O-N 3.33Å
281	C	80.9	Confident	78.2	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-54.8	-37.5	172.7	-81.2	0	0	0	0	112	L277 L284 E285 Y286 L288	L277-C281 VanDerWaalsContact O-CB 3.24Å; L277-C281 WeakPolarHBondContact O-CB 3.42Å; L277-C281 PolarHBondContact O-N 3Å; L277-C281 PolarHBondContact O-SG 3.32Å; L277-C281 VanDerWaalsContact O-SG 3.36Å; C281-L284 CarbonylContact O-C 3.56Å; C281-L284 PolarHBondContact O-N 3.11Å; C281-E285 PolarHBondContact O-N 3.46Å; C281-Y286 CarbonylContact C-O 3.58Å; C281-Y286 VanDerWaalsContact CB-O 3.25Å; C281-Y286 WeakPolarHBondContact CB-O 3.2Å; C281-Y286 CarbonylContact O-C 3.43Å; C281-Y286 VanDerWaalsContact O-C 3.26Å; C281-Y286 PolarHBondContact O-N 3.07Å; C281-L288 HydrophobicContact CB-CD1 4.49Å; C281-L288 HydrophobicContact CB-CG 4.1Å
282	I	74.6	Confident	78.7	Confident	11 Å²	11	46.4 Å²	46.4	6%	0.056	22%	0.222	C	C	.	.	H	α-helix	trans	-68.4	-43.8	173.5	-75.9	174.1	0	0	0	112.6	P34 Q278 K279 R280 L284 E285 P287 F479	P34-I282 HydrophobicContact CB-CG2 3.88Å; P34-I282 VanDerWaalsContact CD-CG2 3.43Å; P34-I282 HydrophobicContact CG-CG2 3.82Å; Q278-I282 WeakPolarHBondContact O-CG1 3.21Å; Q278-I282 PolarHBondContact O-N 3.31Å; K279-I282 WeakPolarHBondContact O-CB 3.33Å; K279-I282 PolarHBondContact O-N 3.22Å; R280-I282 PolarHBondContact O-N 3.35Å; I282-L284 PolarHBondContact O-N 3.45Å; I282-E285 WeakPolarHBondContact O-CA 3.47Å; I282-E285 PolarHBondContact O-N 3.44Å; I282-P287 HydrophobicContact CG1-CB 4.08Å; I282-F479 HydrophobicContact CD1-CD2 3.19Å; I282-F479 HydrophobicContact CD1-CE2 3.1Å; I282-F479 HydrophobicContact CD1-CG 4.21Å; I282-F479 HydrophobicContact CD1-CZ 4.09Å; I282-F479 HydrophobicContact CG1-CE2 4.26Å
283	Q	77.9	Confident	78.9	Confident	90 Å²	90	39.1 Å²	39.1	42%	0.421	19%	0.189	S	C	.	.	H	α-helix	trans	-61.2	-30.9	176.7	-68.7	173.3	-6.8	0	0	112	K279 R280 E285	K279-Q283 WeakPolarHBondContact O-CG 3.37Å; K279-Q283 PolarHBondContact O-N 3.25Å; K279-Q283 VanDerWaalsContact O-N 3.07Å; R280-Q283 WeakPolarHBondContact O-CB 3.4Å; R280-Q283 PolarHBondContact O-N 3.46Å; Q283-E285 VanDerWaalsContact C-N 3.28Å
284	L	79.4	Confident	79	Confident	56 Å²	56	38.2 Å²	38.2	29%	0.293	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	5	174.4	-63.6	173.4	0	0	0	113.5	L183 D186 I189 R280 C281 I282 Y286	L183-L284 HydrophobicContact CD1-CD1 4.16Å; D186-L284 HydrophobicContact CB-CD1 4.02Å; I189-L284 HydrophobicContact CD1-CD1 3.62Å; R280-L284 HydrophobicContact CG-CD1 4.22Å; R280-L284 WeakPolarHBondContact O-CG 3.06Å; R280-L284 PolarHBondContact O-N 3.33Å; C281-L284 CarbonylContact O-C 3.56Å; C281-L284 PolarHBondContact O-N 3.11Å; I282-L284 PolarHBondContact O-N 3.45Å; L284-Y286 VanDerWaalsContact O-CD2 3.25Å; L284-Y286 WeakPolarHBondContact O-CD2 3.35Å; L284-Y286 PolarHBondContact O-N 3.35Å
285	E	75.6	Confident	79.1	Confident	57 Å²	57	43.4 Å²	43.4	27%	0.266	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	62	22.4	179.8	-54.2	-174.7	152.5	0	0	115.1	S157 Y158 C281 I282 Q283	S157-E285 WeakPolarHBondContact CB-O 3.35Å; S157-E285 PolarHBondContact OG-O 3.41Å; Y158-E285 HydrophobicContact CE2-CB 4.49Å; C281-E285 PolarHBondContact O-N 3.46Å; I282-E285 WeakPolarHBondContact O-CA 3.47Å; I282-E285 PolarHBondContact O-N 3.44Å; Q283-E285 VanDerWaalsContact C-N 3.28Å
286	Y	80.7	Confident	79.3	Confident	51 Å²	51	45.4 Å²	45.4	20%	0.2	22%	0.215	C	C	.	.			trans	-119.9	72	173.7	-73.9	-74.2	0	0	0	110.7	S157 V161 V179 C281 L284	S157-Y286 WeakPolarHBondContact O-CD1 3.23Å; S157-Y286 WeakPolarHBondContact O-CE1 3.49Å; V161-Y286 HydrophobicContact CG2-CD1 4.15Å; V161-Y286 HydrophobicContact CG2-CG 4.48Å; V179-Y286 HydrophobicContact CB-CE1 4.36Å; V179-Y286 HydrophobicContact CG1-CD1 3.54Å; V179-Y286 HydrophobicContact CG1-CE1 3.43Å; V179-Y286 VanDerWaalsContact CG1-CE1 3.43Å; V179-Y286 HydrophobicContact CG1-CG 4.16Å; V179-Y286 HydrophobicContact CG2-CE1 3.98Å; C281-Y286 CarbonylContact C-O 3.58Å; C281-Y286 VanDerWaalsContact CB-O 3.25Å; C281-Y286 WeakPolarHBondContact CB-O 3.2Å; C281-Y286 CarbonylContact O-C 3.43Å; C281-Y286 VanDerWaalsContact O-C 3.26Å; C281-Y286 PolarHBondContact O-N 3.07Å; L284-Y286 VanDerWaalsContact O-CD2 3.25Å; L284-Y286 WeakPolarHBondContact O-CD2 3.35Å; L284-Y286 PolarHBondContact O-N 3.35Å
287	P	77.4	Confident	79.3	Confident	29 Å²	29	41.6 Å²	41.6	19%	0.188	20%	0.198	C	C	.	.	P	Polyproline II helix	trans	-66.9	148.8	-178.9	32	-38.5	0	0	0	111.8	Y158 I282	Y158-P287 HydrophobicContact CD1-CG 3.13Å; Y158-P287 HydrophobicContact CE1-CB 4.42Å; Y158-P287 HydrophobicContact CE1-CG 3.26Å; Y158-P287 HydrophobicContact CG-CG 4.24Å; I282-P287 HydrophobicContact CG1-CB 4.08Å
288	L	78.6	Confident	79	Confident	29 Å²	29	48 Å²	48	15%	0.152	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-81.8	122.8	179.3	-66.3	177.1	0	0	0	111.1	V161 L163 V172 L277 Q278 C281	V161-L288 HydrophobicContact CB-CD2 4.15Å; V161-L288 HydrophobicContact CG1-CD2 3.4Å; V161-L288 VanDerWaalsContact CG1-CD2 3.4Å; L163-L288 HydrophobicContact CB-CB 3.99Å; L163-L288 HydrophobicContact CB-CD1 4.33Å; L163-L288 HydrophobicContact CB-CD2 4.45Å; L163-L288 HydrophobicContact CB-CG 4.49Å; L163-L288 HydrophobicContact CD1-CD1 4.38Å; L163-L288 HydrophobicContact CD2-CD1 4.24Å; V172-L288 HydrophobicContact CG1-CD2 4.17Å; L277-L288 HydrophobicContact CD2-CD1 3.84Å; L277-L288 HydrophobicContact CG-CD1 3.98Å; Q278-L288 HydrophobicContact CG-CD1 3.85Å; C281-L288 HydrophobicContact CB-CD1 4.49Å; C281-L288 HydrophobicContact CB-CG 4.1Å
289	L	76.8	Confident	79	Confident	16 Å²	16	49.9 Å²	49.9	8%	0.084	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.3	170.8	-172.8	69.7	0	0	0	110.6	V161 K162 L163 E291	V161-L289 PolarHBondContact O-N 3.33Å; V161-L289 VanDerWaalsContact O-N 3.09Å; K162-L289 CarbonylContact C-O 3.55Å; K162-L289 WeakPolarHBondContact CA-O 3.47Å; L163-L289 PolarHBondContact N-O 2.64Å; L289-E291 HydrophobicContact CD2-CG 3.9Å; L289-E291 HydrophobicContact CG-CG 4.12Å; L289-E291 PolarHBondContact O-N 3.03Å
290	A	77.5	Confident	79.2	Confident	28 Å²	28	47.4 Å²	47.4	23%	0.231	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	106.7	175.3	0	0	0	0	0	110.9	S332	A290-S332 PolarHBondContact O-N 3.23Å
291	E	80.6	Confident	79.3	Confident	10 Å²	10	47.8 Å²	47.8	5%	0.047	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	144.3	172.2	-60.9	-166.4	144.4	0	0	110.2	K162 L289 R329 R331	K162-E291 WeakPolarHBondContact CD-OE2 3.47Å; K162-E291 WeakPolarHBondContact CE-OE2 3.31Å; K162-E291 IonicContact NZ-OE1 3.99Å; K162-E291 IonicContact NZ-OE2 2.78Å; K162-E291 PolarHBondContact NZ-OE2 2.64Å; L289-E291 HydrophobicContact CD2-CG 3.9Å; L289-E291 HydrophobicContact CG-CG 4.12Å; L289-E291 PolarHBondContact O-N 3.03Å; E291-R329 IonicContact OE2-NH1 2.7Å; E291-R331 HydrophobicContact CG-CG 4.27Å; E291-R331 IonicContact OE1-CZ 3.98Å; E291-R331 IonicContact OE1-NE 3.55Å; E291-R331 PolarHBondContact OE1-NE 3.05Å; E291-R331 IonicContact OE1-NH2 3.89Å
292	Y	83.6	Confident	79.6	Confident	5 Å²	5	53 Å²	53	2%	0.02	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.3	176.8	179.1	-138.3	0	0	0	111	F294 D297 A330 V354 K356 H458 C459	Y292-F294 HydrophobicContact CD1-CB 3.7Å; Y292-F294 HydrophobicContact CE1-CB 3.38Å; Y292-F294 HydrophobicContact CG-CB 4.46Å; Y292-F294 PolarHBondContact O-N 3.11Å; Y292-D297 HydrophobicContact CE2-CB 4.19Å; Y292-D297 WeakPolarHBondContact CE2-OD2 3.5Å; Y292-D297 PolarHBondContact OH-OD2 3.28Å; Y292-A330 PolarHBondContact N-O 3.15Å; Y292-A330 PolarHBondContact O-N 3.42Å; Y292-V354 HydrophobicContact CD1-CG1 4.49Å; Y292-V354 HydrophobicContact CE1-CG1 4.06Å; Y292-K356 HydrophobicContact CE1-CG 4.24Å; Y292-K356 WeakPolarHBondContact OH-CG 3.3Å; Y292-H458 HydrophobicContact CD1-CB 3.78Å; Y292-H458 HydrophobicContact CD2-CB 3.41Å; Y292-H458 VanDerWaalsContact CD2-CB 3.41Å; Y292-H458 AromaticContact CD2-CG 3.61Å; Y292-H458 AromaticContact CD2-ND1 3.55Å; Y292-H458 HydrophobicContact CE1-CB 4.11Å; Y292-H458 HydrophobicContact CE2-CB 3.78Å; Y292-H458 AromaticContact CE2-CG 3.56Å; Y292-H458 AromaticContact CE2-ND1 3.49Å; Y292-H458 WeakPolarHBondContact CE2-ND1 3.42Å; Y292-H458 HydrophobicContact CG-CB 3.41Å; Y292-H458 VanDerWaalsContact CG-CB 3.41Å; Y292-C459 HydrophobicContact CD1-CB 4.23Å
293	D	80.9	Confident	80.2	Confident	34 Å²	34	53.2 Å²	53.2	18%	0.182	28%	0.281	C	S	.	.			trans	-85.5	80.5	171	-167.4	-16.1	0	0	0	110.3	R295 N296 D297 R329	D293-R295 PolarHBondContact O-N 2.8Å; D293-R295 PolarHBondContact OD1-N 2.94Å; D293-N296 PolarHBondContact OD1-N 3.27Å; D293-N296 VanDerWaalsContact OD1-N 3.15Å; D293-N296 PolarHBondContact OD1-ND2 3.05Å; D293-N296 PolarHBondContact OD2-ND2 3.03Å; D293-D297 WeakPolarHBondContact O-CB 3.45Å; D293-D297 PolarHBondContact O-N 3.23Å; D293-R329 HydrophobicContact CB-CG 4.23Å; D293-R329 IonicContact OD2-NE 2.68Å
294	F	82.1	Confident	80.7	Confident	16 Å²	16	55.8 Å²	55.8	7%	0.07	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-18.4	-178.5	65.9	-85.5	0	0	0	113.7	Y292 F325 A330 T353 V354 K356	Y292-F294 HydrophobicContact CD1-CB 3.7Å; Y292-F294 HydrophobicContact CE1-CB 3.38Å; Y292-F294 HydrophobicContact CG-CB 4.46Å; Y292-F294 PolarHBondContact O-N 3.11Å; F294-F325 AromaticContact CE1-CD1 3.79Å; F294-F325 HydrophobicContact CE1-CD1 3.79Å; F294-F325 HydrophobicContact CE1-CE1 4.02Å; F294-F325 HydrophobicContact CZ-CD1 4.07Å; F294-F325 HydrophobicContact CZ-CE1 4.25Å; F294-A330 HydrophobicContact CD1-CB 3.73Å; F294-A330 HydrophobicContact CE1-CB 4Å; F294-T353 VanDerWaalsContact CE2-O 3.26Å; F294-T353 WeakPolarHBondContact CE2-O 3.33Å; F294-T353 HydrophobicContact CZ-CG2 4.3Å; F294-V354 HydrophobicContact CB-CG1 4.01Å; F294-V354 HydrophobicContact CG-CG1 4.35Å; F294-K356 WeakPolarHBondContact O-CE 3.47Å
295	R	80	Confident	81.2	Confident	142 Å²	142	53.3 Å²	53.3	54%	0.536	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-39.5	-178.4	-70.6	-175.2	174.7	-175.7	0.9	111.9	D293	D293-R295 PolarHBondContact O-N 2.8Å; D293-R295 PolarHBondContact OD1-N 2.94Å
296	N	77.9	Confident	82	Confident	108 Å²	108	54 Å²	54	58%	0.578	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-6	179.7	-64.5	-34.3	0	0	0	112.9	D293 T298	D293-N296 PolarHBondContact OD1-N 3.27Å; D293-N296 VanDerWaalsContact OD1-N 3.15Å; D293-N296 PolarHBondContact OD1-ND2 3.05Å; D293-N296 PolarHBondContact OD2-ND2 3.03Å; N296-T298 PolarHBondContact O-N 2.9Å; N296-T298 VanDerWaalsContact O-N 3.07Å
297	D	79.7	Confident	82.6	Confident	23 Å²	23	54 Å²	54	12%	0.123	29%	0.293	C	S	.	.			trans	-73.2	97.6	174.4	-175.1	-3.6	0	0	0	111.2	Y292 D293 V299 N300 K356	Y292-D297 HydrophobicContact CE2-CB 4.19Å; Y292-D297 WeakPolarHBondContact CE2-OD2 3.5Å; Y292-D297 PolarHBondContact OH-OD2 3.28Å; D293-D297 WeakPolarHBondContact O-CB 3.45Å; D293-D297 PolarHBondContact O-N 3.23Å; D297-V299 WeakPolarHBondContact OD1-CA 3.35Å; D297-V299 WeakPolarHBondContact OD1-CB 3.18Å; D297-V299 PolarHBondContact OD1-N 2.74Å; D297-N300 PolarHBondContact OD1-N 3.47Å; D297-N300 WeakPolarHBondContact OD2-CB 3.45Å; D297-N300 PolarHBondContact OD2-ND2 3.06Å; D297-K356 PolarHBondContact O-NZ 2.95Å
298	T	76.1	Confident	83.3	Confident	136 Å²	136	55.8 Å²	55.8	83%	0.834	30%	0.298	S	S	*	.			trans	-88.8	-4	173.8	58.8	0	0	0	0	113.5	N296	N296-T298 PolarHBondContact O-N 2.9Å; N296-T298 VanDerWaalsContact O-N 3.07Å
299	V	78.8	Confident	83.8	Confident	73 Å²	73	60.5 Å²	60.5	44%	0.442	33%	0.33	S	S	.	.	S	Bend	trans	-84.4	-49.4	-174.8	-177	0	0	0	0	109.4	H167 D297	H167-V299 WeakPolarHBondContact CE1-CG2 3.48Å; H167-V299 VanDerWaalsContact ND1-CG2 3.32Å; H167-V299 WeakPolarHBondContact ND1-CG2 3.31Å; D297-V299 WeakPolarHBondContact OD1-CA 3.35Å; D297-V299 WeakPolarHBondContact OD1-CB 3.18Å; D297-V299 PolarHBondContact OD1-N 2.74Å
300	N	81.1	Confident	84.5	Confident	16 Å²	16	64.7 Å²	64.7	9%	0.086	36%	0.356	C	S	.	.	S	Bend	trans	-77	125.5	176.8	-76	-57.1	0	0	0	109.8	D297 D302 K356 E431 H458	D297-N300 PolarHBondContact OD1-N 3.47Å; D297-N300 WeakPolarHBondContact OD2-CB 3.45Å; D297-N300 PolarHBondContact OD2-ND2 3.06Å; N300-D302 PolarHBondContact O-N 3.24Å; N300-K356 HydrophobicContact CB-CD 4.08Å; N300-K356 PolarHBondContact O-NZ 3.02Å; N300-E431 PolarHBondContact ND2-OE2 3.37Å; N300-E431 PolarHBondContact OD1-OE2 2.82Å; N300-H458 PolarHBondContact ND2-NE2 2.91Å
301	P	84.6	Confident	85.1	Confident	73 Å²	73	63.7 Å²	63.7	47%	0.474	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-65.6	136.1	-178.2	26.7	-33.9	0	0	0	110.6
302	D	87.3	Confident	85.6	Confident	110 Å²	110	69 Å²	69	59%	0.588	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-69.2	144.5	170.5	-70.9	-27.8	0	0	0	110.8	N300 R355 K356	N300-D302 PolarHBondContact O-N 3.24Å; D302-R355 WeakPolarHBondContact CA-O 3.32Å; D302-K356 WeakPolarHBondContact OD1-CD 3.45Å; D302-K356 VanDerWaalsContact OD1-CE 3.3Å; D302-K356 WeakPolarHBondContact OD1-CE 3.24Å; D302-K356 IonicContact OD1-NZ 3.45Å; D302-K356 PolarHBondContact OD1-NZ 2.86Å
303	I	88	Confident	86	Confident	15 Å²	15	71 Å²	71	8%	0.077	39%	0.392	C	S	.	.			trans	-108	137.9	179.7	-57.6	176	0	0	0	107.8	I305 R355 K356 R357	I303-I305 HydrophobicContact CB-CG2 4.25Å; I303-I305 HydrophobicContact CG2-CB 4.22Å; I303-I305 HydrophobicContact CG2-CG2 4.18Å; I303-I305 PolarHBondContact O-N 3.44Å; I303-R355 PolarHBondContact N-O 3.27Å; I303-K356 VanDerWaalsContact CD1-C 3.41Å; I303-R357 VanDerWaalsContact CD1-CA 3.46Å; I303-R357 HydrophobicContact CD1-CB 4.18Å; I303-R357 HydrophobicContact CD1-CG 3.64Å; I303-R357 VanDerWaalsContact CD1-N 3.33Å
304	N	88.3	Confident	86.5	Confident	145 Å²	145	73.5 Å²	73.5	78%	0.775	40%	0.399	S	S	*	.			trans	-73.8	70	173.3	-65	-21	0	0	0	110.3
305	I	89.6	Confident	86.9	Confident	3 Å²	3	76.8 Å²	76.8	2%	0.015	42%	0.422	C	S	.	.			trans	-119.4	116.4	175.2	-172.6	173.1	0	0	0	108.7	I303 R355 F375 I381 V402	I303-I305 HydrophobicContact CB-CG2 4.25Å; I303-I305 HydrophobicContact CG2-CB 4.22Å; I303-I305 HydrophobicContact CG2-CG2 4.18Å; I303-I305 PolarHBondContact O-N 3.44Å; I305-R355 HydrophobicContact CG2-CG 4.49Å; I305-F375 HydrophobicContact CD1-CD1 4.48Å; I305-F375 HydrophobicContact CD1-CE1 4.43Å; I305-I381 HydrophobicContact CD1-CD1 4.39Å; I305-I381 HydrophobicContact CG1-CB 4.48Å; I305-V402 HydrophobicContact CD1-CG2 4.43Å
306	D	92.4	Very high	87.3	Confident	73 Å²	73	70.6 Å²	70.6	39%	0.39	40%	0.398	S	S	.	.			trans	-127.5	155.3	174.8	-81	-40.3	0	0	0	110.4	R355 S379 T380	D306-R355 IonicContact OD1-CZ 3.91Å; D306-R355 IonicContact OD1-NE 3.41Å; D306-R355 PolarHBondContact OD1-NE 3.4Å; D306-R355 IonicContact OD1-NH2 3.07Å; D306-R355 PolarHBondContact OD1-NH2 2.66Å; D306-R355 IonicContact OD2-NH2 2.68Å; D306-S379 CarbonylContact O-C 3.57Å; D306-S379 WeakPolarHBondContact O-CA 3.38Å; D306-T380 HydrophobicContact CB-CG2 4.41Å; D306-T380 PolarHBondContact N-OG1 3.48Å; D306-T380 PolarHBondContact O-N 3.29Å; D306-T380 PolarHBondContact O-OG1 3.01Å
307	L	93.4	Very high	88	Confident	50 Å²	50	65.6 Å²	65.6	26%	0.262	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-77	132.4	173.9	-165.2	74.3	0	0	0	109.1	A311 V348 C352 W378	L307-A311 HydrophobicContact CD1-CB 3.84Å; L307-A311 HydrophobicContact CD2-CB 3.83Å; L307-A311 HydrophobicContact CG-CB 3.64Å; L307-V348 HydrophobicContact CD1-CG1 4.36Å; L307-C352 HydrophobicContact CB-CB 4.39Å; L307-W378 HydrophobicContact CD1-CB 4.42Å
308	K	92.5	Very high	88.5	Confident	67 Å²	67	68.9 Å²	68.9	29%	0.291	39%	0.386	S	S	.	.			trans	-64.9	144.1	175.5	-75.4	169.2	168.7	159.4	0	110.2	T310 A311 K376 M377 W378 S379 T380	K308-T310 PolarHBondContact O-N 2.99Å; K308-A311 WeakPolarHBondContact O-CB 3.44Å; K308-A311 PolarHBondContact O-N 3.21Å; K308-K376 PolarHBondContact NZ-O 3.28Å; K308-M377 WeakPolarHBondContact CD-O 3.47Å; K308-W378 WeakPolarHBondContact CB-O 3.41Å; K308-W378 PolarHBondContact N-O 3.01Å; K308-S379 WeakPolarHBondContact CD-O 2.98Å; K308-S379 WeakPolarHBondContact CE-O 3.42Å; K308-S379 PolarHBondContact NZ-O 2.71Å; K308-T380 HydrophobicContact CG-CG2 3.88Å
309	P	89.3	Confident	89	Confident	127 Å²	127	65.5 Å²	65.5	83%	0.825	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18	-179	25.6	-34.7	0	0	0	113.6	A311	P309-A311 PolarHBondContact O-N 2.97Å
310	T	91.5	Very high	89.6	Confident	104 Å²	104	62 Å²	62	64%	0.638	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-16.2	173	53.3	0	0	0	0	113.3	K308 V312	K308-T310 PolarHBondContact O-N 2.99Å; T310-V312 PolarHBondContact O-N 2.75Å
311	A	89.8	Confident	90	Very high	8 Å²	8	61.9 Å²	61.9	7%	0.066	34%	0.338	C	S	.	.			trans	-88.5	83.7	-177.3	0	0	0	0	0	110.8	L307 K308 P309 W378	L307-A311 HydrophobicContact CD1-CB 3.84Å; L307-A311 HydrophobicContact CD2-CB 3.83Å; L307-A311 HydrophobicContact CG-CB 3.64Å; K308-A311 WeakPolarHBondContact O-CB 3.44Å; K308-A311 PolarHBondContact O-N 3.21Å; P309-A311 PolarHBondContact O-N 2.97Å; A311-W378 HydrophobicContact CB-CB 4.48Å; A311-W378 HydrophobicContact CB-CD2 4.26Å; A311-W378 HydrophobicContact CB-CE3 3.35Å; A311-W378 HydrophobicContact CB-CZ3 3.9Å
312	V	91.2	Very high	90.1	Very high	120 Å²	120	66.4 Å²	66.4	73%	0.727	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-86.7	127.1	175	-176.5	0	0	0	0	109.8	T310	T310-V312 PolarHBondContact O-N 2.75Å
313	L	91.6	Very high	89.9	Confident	47 Å²	47	62.9 Å²	62.9	25%	0.246	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-80.5	147.1	177.7	-58.9	174.3	0	0	0	111	L321 L345 T349	L313-L321 HydrophobicContact CD1-CD1 3.99Å; L313-L345 HydrophobicContact CD2-CD1 4.41Å; L313-L345 HydrophobicContact CD2-CD2 3.9Å; L313-L345 HydrophobicContact CD2-CG 3.83Å; L313-T349 HydrophobicContact CD1-CG2 3.81Å; L313-T349 HydrophobicContact CD2-CG2 4.47Å; L313-T349 WeakPolarHBondContact CD2-OG1 3.44Å
314	R	91.8	Very high	89.9	Confident	88 Å²	88	62.1 Å²	62.1	33%	0.332	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-83.3	155	172.5	-63.3	169.2	-179.9	-178.1	-1.6	110.2	Y316 Q317 E318 Y498	R314-Y316 VanDerWaalsContact C-N 3.32Å; R314-Y316 HydrophobicContact CB-CD1 3.91Å; R314-Y316 HydrophobicContact CB-CE1 3.5Å; R314-Y316 VanDerWaalsContact CB-CE1 3.5Å; R314-Y316 WeakPolarHBondContact CD-OH 3.35Å; R314-Y316 HydrophobicContact CG-CE1 4.16Å; R314-Y316 PolarHBondContact NH1-OH 3.46Å; R314-Y316 PolarHBondContact O-N 3.39Å; R314-Q317 HydrophobicContact CB-CG 4.25Å; R314-Q317 WeakPolarHBondContact O-CA 3.46Å; R314-Q317 WeakPolarHBondContact O-CB 3.17Å; R314-Q317 PolarHBondContact O-N 2.82Å; R314-E318 PolarHBondContact O-N 2.95Å; R314-E318 VanDerWaalsContact O-N 3.07Å; R314-Y498 HydrophobicContact CB-CE1 4.44Å; R314-Y498 HydrophobicContact CG-CD1 4.35Å; R314-Y498 HydrophobicContact CG-CE1 3.96Å
315	P	90.2	Very high	89.8	Confident	84 Å²	84	56.8 Å²	56.8	55%	0.545	29%	0.291	S	S	.	.	H	α-helix	trans	-55.2	-40.8	-174.8	-28.4	35.4	0	0	0	114.6	Q317 E318 K319 Y498	P315-Q317 VanDerWaalsContact C-N 3.3Å; P315-Q317 PolarHBondContact O-N 3.39Å; P315-E318 PolarHBondContact O-N 2.89Å; P315-K319 WeakPolarHBondContact O-CB 3.33Å; P315-K319 PolarHBondContact O-N 2.93Å; P315-Y498 WeakPolarHBondContact CD-OH 3.45Å
316	Y	89	Confident	88.9	Confident	12 Å²	12	57.4 Å²	57.4	5%	0.047	30%	0.298	C	S	.	.	H	α-helix	trans	-69.7	-27	178.3	64.7	-94.2	0	0	0	113.2	R314 S320 L337 A341 L493 Y498	R314-Y316 VanDerWaalsContact C-N 3.32Å; R314-Y316 HydrophobicContact CB-CD1 3.91Å; R314-Y316 HydrophobicContact CB-CE1 3.5Å; R314-Y316 VanDerWaalsContact CB-CE1 3.5Å; R314-Y316 WeakPolarHBondContact CD-OH 3.35Å; R314-Y316 HydrophobicContact CG-CE1 4.16Å; R314-Y316 PolarHBondContact NH1-OH 3.46Å; R314-Y316 PolarHBondContact O-N 3.39Å; Y316-S320 WeakPolarHBondContact O-CB 3.45Å; Y316-S320 PolarHBondContact O-N 2.86Å; Y316-S320 VanDerWaalsContact O-N 3.11Å; Y316-L337 HydrophobicContact CD2-CD2 4.05Å; Y316-L337 HydrophobicContact CE2-CD2 4.3Å; Y316-A341 HydrophobicContact CE2-CB 3.96Å; Y316-A341 WeakPolarHBondContact CE2-O 3.47Å; Y316-A341 PolarHBondContact OH-O 3.26Å; Y316-L493 HydrophobicContact CD1-CD2 3.26Å; Y316-L493 HydrophobicContact CD2-CD2 4.08Å; Y316-L493 HydrophobicContact CE1-CD2 3.28Å; Y316-L493 HydrophobicContact CE2-CD2 4.11Å; Y316-L493 HydrophobicContact CG-CD2 3.67Å; Y316-Y498 HydrophobicContact CD1-CD2 4.06Å; Y316-Y498 HydrophobicContact CD1-CE2 4.09Å; Y316-Y498 HydrophobicContact CE1-CD1 4.44Å; Y316-Y498 AromaticContact CE1-CD2 3.66Å; Y316-Y498 HydrophobicContact CE1-CD2 3.66Å; Y316-Y498 AromaticContact CE1-CE2 3.97Å; Y316-Y498 HydrophobicContact CE1-CE2 3.97Å; Y316-Y498 AromaticContact CE1-CG 3.92Å; Y316-Y498 HydrophobicContact CE1-CG 3.92Å
317	Q	92	Very high	87.8	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.019	31%	0.311	C	S	.	.	H	α-helix	trans	-73.5	-43.2	175.3	-62.7	174.1	-29.2	0	0	109.6	R314 P315 S320 L321 A341 V346	R314-Q317 HydrophobicContact CB-CG 4.25Å; R314-Q317 WeakPolarHBondContact O-CA 3.46Å; R314-Q317 WeakPolarHBondContact O-CB 3.17Å; R314-Q317 PolarHBondContact O-N 2.82Å; P315-Q317 VanDerWaalsContact C-N 3.3Å; P315-Q317 PolarHBondContact O-N 3.39Å; Q317-S320 PolarHBondContact O-N 3.16Å; Q317-S320 PolarHBondContact O-OG 2.79Å; Q317-L321 WeakPolarHBondContact O-CG 3.48Å; Q317-L321 PolarHBondContact O-N 2.91Å; Q317-A341 PolarHBondContact NE2-O 2.99Å; Q317-V346 HydrophobicContact CB-CG2 3.83Å; Q317-V346 HydrophobicContact CG-CG2 3.84Å
318	E	90.5	Very high	86.7	Confident	91 Å²	91	58.3 Å²	58.3	43%	0.425	31%	0.308	S	S	.	.	H	α-helix	trans	-60.4	-47.3	173.8	-165.9	-166.3	145.9	0	0	111.4	R314 P315 S320 L321 R322	R314-E318 PolarHBondContact O-N 2.95Å; R314-E318 VanDerWaalsContact O-N 3.07Å; P315-E318 PolarHBondContact O-N 2.89Å; E318-S320 VanDerWaalsContact C-N 3.26Å; E318-S320 PolarHBondContact O-N 3.27Å; E318-L321 PolarHBondContact O-N 3.48Å; E318-L321 VanDerWaalsContact O-N 3.12Å; E318-R322 WeakPolarHBondContact O-CB 3.08Å; E318-R322 PolarHBondContact O-N 2.92Å; E318-R322 IonicContact OE1-CZ 3.09Å; E318-R322 IonicContact OE1-NH2 2.69Å; E318-R322 PolarHBondContact OE1-NH2 3.21Å
319	K	86.6	Confident	86.1	Confident	65 Å²	65	57 Å²	57	28%	0.283	30%	0.301	S	S	.	.	H	α-helix	trans	-56.7	-39.9	175	-172	167.4	-179.9	168.3	0	112	D93 P315 K323 Y486	D93-K319 IonicContact OD1-NZ 2.79Å; D93-K319 PolarHBondContact OD1-NZ 3.41Å; D93-K319 IonicContact OD2-NZ 3.77Å; D93-K319 PolarHBondContact OD2-NZ 3.46Å; P315-K319 WeakPolarHBondContact O-CB 3.33Å; P315-K319 PolarHBondContact O-N 2.93Å; K319-K323 PolarHBondContact O-N 2.87Å; K319-Y486 HydrophobicContact CD-CE2 4.15Å; K319-Y486 HydrophobicContact CG-CE2 4.06Å
320	S	90.2	Very high	86	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-65.5	-40.5	177.1	78	0	0	0	0	113	Y316 Q317 E318 M324	Y316-S320 WeakPolarHBondContact O-CB 3.45Å; Y316-S320 PolarHBondContact O-N 2.86Å; Y316-S320 VanDerWaalsContact O-N 3.11Å; Q317-S320 PolarHBondContact O-N 3.16Å; Q317-S320 PolarHBondContact O-OG 2.79Å; E318-S320 VanDerWaalsContact C-N 3.26Å; E318-S320 PolarHBondContact O-N 3.27Å; S320-M324 PolarHBondContact O-N 2.89Å
321	L	90.3	Very high	85.7	Confident	13 Å²	13	46.8 Å²	46.8	7%	0.068	23%	0.234	C	C	.	.	H	α-helix	trans	-74.3	-36.3	178.7	-70.3	164.3	0	0	0	111.6	L313 Q317 E318 K323 M324 F325 V346 T349 A350	L313-L321 HydrophobicContact CD1-CD1 3.99Å; Q317-L321 WeakPolarHBondContact O-CG 3.48Å; Q317-L321 PolarHBondContact O-N 2.91Å; E318-L321 PolarHBondContact O-N 3.48Å; E318-L321 VanDerWaalsContact O-N 3.12Å; L321-K323 VanDerWaalsContact C-N 3.3Å; L321-K323 PolarHBondContact O-N 3.07Å; L321-M324 WeakPolarHBondContact O-CB 2.7Å; L321-M324 PolarHBondContact O-N 2.8Å; L321-F325 HydrophobicContact CB-CD2 4.35Å; L321-F325 HydrophobicContact CD2-CD2 4.46Å; L321-F325 HydrophobicContact CD2-CE2 3.9Å; L321-F325 VanDerWaalsContact O-CD2 3.3Å; L321-F325 WeakPolarHBondContact O-CD2 3.48Å; L321-F325 PolarHBondContact O-N 2.87Å; L321-V346 HydrophobicContact CD2-CG1 3.88Å; L321-V346 HydrophobicContact CG-CG1 4.15Å; L321-T349 HydrophobicContact CD1-CG2 3.51Å; L321-A350 HydrophobicContact CD2-CB 4.06Å
322	R	86.8	Confident	85.6	Confident	168 Å²	168	46.5 Å²	46.5	63%	0.634	23%	0.232	S	C	*	.	H	α-helix	trans	-58.5	-43.4	175.2	-167.2	-178.6	-58.4	177.7	0.5	111.3	E318 M324 F325 G326	E318-R322 WeakPolarHBondContact O-CB 3.08Å; E318-R322 PolarHBondContact O-N 2.92Å; E318-R322 IonicContact OE1-CZ 3.09Å; E318-R322 IonicContact OE1-NH2 2.69Å; E318-R322 PolarHBondContact OE1-NH2 3.21Å; R322-M324 VanDerWaalsContact C-N 3.29Å; R322-M324 PolarHBondContact O-N 2.8Å; R322-F325 PolarHBondContact O-N 2.82Å; R322-G326 PolarHBondContact O-N 3.37Å
323	K	83.4	Confident	85.4	Confident	36 Å²	36	40.8 Å²	40.8	16%	0.157	20%	0.197	C	C	.	.	H	α-helix	trans	-65.3	-30.2	174.1	-70.9	-164.9	175.6	-159.2	0	113.5	K319 L321 L485 Y486	K319-K323 PolarHBondContact O-N 2.87Å; L321-K323 VanDerWaalsContact C-N 3.3Å; L321-K323 PolarHBondContact O-N 3.07Å; K323-L485 WeakPolarHBondContact CD-O 3.06Å; K323-Y486 HydrophobicContact CD-CD2 4.31Å
324	M	87.3	Confident	85.2	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-76.3	-38.2	177.2	-177.6	-176.6	173	0	0	112.6	S320 L321 R322 R331 A350 L434 L461 L485	S320-M324 PolarHBondContact O-N 2.89Å; L321-M324 WeakPolarHBondContact O-CB 2.7Å; L321-M324 PolarHBondContact O-N 2.8Å; R322-M324 VanDerWaalsContact C-N 3.29Å; R322-M324 PolarHBondContact O-N 2.8Å; M324-R331 PolarHBondContact O-N 3.09Å; M324-A350 HydrophobicContact CE-CB 4.34Å; M324-A350 HydrophobicContact SD-CB 4.18Å; M324-L434 HydrophobicContact CE-CD1 3.96Å; M324-L461 HydrophobicContact CE-CB 4.2Å; M324-L461 HydrophobicContact CE-CD1 4.26Å; M324-L461 HydrophobicContact CE-CD2 4.14Å; M324-L461 HydrophobicContact CE-CG 4.43Å; M324-L461 HydrophobicContact SD-CD1 3.87Å; M324-L461 HydrophobicContact SD-CD2 4.02Å; M324-L461 HydrophobicContact SD-CG 4.45Å; M324-L485 HydrophobicContact CB-CD1 4.09Å; M324-L485 HydrophobicContact CG-CD1 4.16Å
325	F	85.6	Confident	85.1	Confident	33 Å²	33	34.4 Å²	34.4	15%	0.145	17%	0.17	C	C	.	.	S	Bend	trans	-101.3	25.1	-175.2	-66.3	-66.8	0	0	0	114.1	F294 L321 R322 G328 R329 A330 A350 T353 V354	F294-F325 AromaticContact CE1-CD1 3.79Å; F294-F325 HydrophobicContact CE1-CD1 3.79Å; F294-F325 HydrophobicContact CE1-CE1 4.02Å; F294-F325 HydrophobicContact CZ-CD1 4.07Å; F294-F325 HydrophobicContact CZ-CE1 4.25Å; L321-F325 HydrophobicContact CB-CD2 4.35Å; L321-F325 HydrophobicContact CD2-CD2 4.46Å; L321-F325 HydrophobicContact CD2-CE2 3.9Å; L321-F325 VanDerWaalsContact O-CD2 3.3Å; L321-F325 WeakPolarHBondContact O-CD2 3.48Å; L321-F325 PolarHBondContact O-N 2.87Å; R322-F325 PolarHBondContact O-N 2.82Å; F325-G328 PolarHBondContact O-N 2.91Å; F325-R329 CarbonylContact C-O 3.59Å; F325-R329 VanDerWaalsContact CA-O 3.31Å; F325-R329 WeakPolarHBondContact CA-O 3.46Å; F325-A330 HydrophobicContact CD1-CB 4Å; F325-A330 HydrophobicContact CE1-CB 3.8Å; F325-A350 HydrophobicContact CE2-CB 4.33Å; F325-A350 HydrophobicContact CZ-CB 4.16Å; F325-T353 HydrophobicContact CD1-CG2 4.18Å; F325-T353 HydrophobicContact CD2-CG2 4.1Å; F325-T353 HydrophobicContact CE1-CG2 3.94Å; F325-T353 HydrophobicContact CE2-CG2 3.86Å; F325-T353 HydrophobicContact CG-CG2 4.27Å; F325-T353 HydrophobicContact CZ-CG2 3.79Å; F325-V354 HydrophobicContact CE1-CG2 3.62Å; F325-V354 HydrophobicContact CZ-CG2 3.86Å
326	G	71.3	Confident	85	Confident	15 Å²	15	30.7 Å²	30.7	16%	0.155	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-55.1	141.8	178.8	0	0	0	0	0	112.5	R322 G328 R329	R322-G326 PolarHBondContact O-N 3.37Å; G326-G328 PolarHBondContact O-N 3.35Å; G326-G328 VanDerWaalsContact O-N 3.1Å; G326-R329 PolarHBondContact O-N 3.03Å
327	N	69.2	Low	84.9	Confident	123 Å²	123	30.1 Å²	30.1	66%	0.658	14%	0.144	S	C	*	.	G	3₁₀ helix	trans	58.6	23.2	175	-52	2.9	0	0	0	114.5	R329	N327-R329 VanDerWaalsContact C-N 3.31Å; N327-R329 PolarHBondContact O-N 3.47Å
328	G	71.4	Confident	84.4	Confident	20 Å²	20	30 Å²	30	21%	0.206	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	80.6	2.2	176.9	0	0	0	0	0	115.5	F325 G326	F325-G328 PolarHBondContact O-N 2.91Å; G326-G328 PolarHBondContact O-N 3.35Å; G326-G328 VanDerWaalsContact O-N 3.1Å
329	R	79.8	Confident	83.8	Confident	38 Å²	38	26 Å²	26	14%	0.143	13%	0.125	C	C	.	.	S	Bend	trans	-111.9	154.4	176.5	-62.7	-179.1	-177.8	-177.7	-0.3	110.7	E291 D293 F325 G326 N327	E291-R329 IonicContact OE2-NH1 2.7Å; D293-R329 HydrophobicContact CB-CG 4.23Å; D293-R329 IonicContact OD2-NE 2.68Å; F325-R329 CarbonylContact C-O 3.59Å; F325-R329 VanDerWaalsContact CA-O 3.31Å; F325-R329 WeakPolarHBondContact CA-O 3.46Å; G326-R329 PolarHBondContact O-N 3.03Å; N327-R329 VanDerWaalsContact C-N 3.31Å; N327-R329 PolarHBondContact O-N 3.47Å
330	A	85.9	Confident	83.2	Confident	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	124	173.4	0	0	0	0	0	109.9	Y292 F294 F325 V354 C459	Y292-A330 PolarHBondContact N-O 3.15Å; Y292-A330 PolarHBondContact O-N 3.42Å; F294-A330 HydrophobicContact CD1-CB 3.73Å; F294-A330 HydrophobicContact CE1-CB 4Å; F325-A330 HydrophobicContact CD1-CB 4Å; F325-A330 HydrophobicContact CE1-CB 3.8Å; A330-V354 HydrophobicContact CB-CG2 4.41Å; A330-C459 HydrophobicContact CB-CB 4.39Å
331	R	85.3	Confident	82.8	Confident	17 Å²	17	24.6 Å²	24.6	6%	0.064	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.6	176.7	-65.3	-178.3	173.3	151.8	-2.5	111	S123 V124 E291 M324	S123-R331 PolarHBondContact O-NE 3.13Å; S123-R331 PolarHBondContact O-NH1 3.39Å; S123-R331 PolarHBondContact O-NH2 3.37Å; S123-R331 VanDerWaalsContact O-NH2 3.16Å; V124-R331 PolarHBondContact O-NH1 3.23Å; V124-R331 VanDerWaalsContact O-NH1 3.12Å; E291-R331 HydrophobicContact CG-CG 4.27Å; E291-R331 IonicContact OE1-CZ 3.98Å; E291-R331 IonicContact OE1-NE 3.55Å; E291-R331 PolarHBondContact OE1-NE 3.05Å; E291-R331 IonicContact OE1-NH2 3.89Å; M324-R331 PolarHBondContact O-N 3.09Å
332	S	87.4	Confident	82.5	Confident	2 Å²	2	25.2 Å²	25.2	1%	0.014	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-74.8	138.3	169.8	-60.6	0	0	0	0	110.4	A290 C459 K460 I481	A290-S332 PolarHBondContact O-N 3.23Å; S332-C459 WeakPolarHBondContact OG-CA 3.35Å; S332-K460 CarbonylContact C-O 3.6Å; S332-K460 VanDerWaalsContact CA-O 3.23Å; S332-K460 WeakPolarHBondContact CA-O 3.28Å; S332-K460 WeakPolarHBondContact CB-O 3.08Å; S332-K460 PolarHBondContact OG-N 3.43Å; S332-I481 VanDerWaalsContact CB-O 3.27Å; S332-I481 WeakPolarHBondContact CB-O 3.36Å
333	G	87.4	Confident	82.6	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171	-175.7	179.6	0	0	0	0	0	114.4	K460 G462 P483	G333-K460 PolarHBondContact N-O 3.02Å; G333-G462 PolarHBondContact O-N 3.19Å; G333-P483 CarbonylContact C-O 3.55Å; G333-P483 WeakPolarHBondContact CA-O 3.28Å
334	V	88	Confident	82.9	Confident	2 Å²	2	17.3 Å²	17.3	1%	0.012	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.2	-174.5	-173.3	0	0	0	0	110.7	V336 G462 T464 L467 I481 P483 L485	V334-V336 HydrophobicContact CG1-CG2 4.44Å; V334-G462 CarbonylContact C-O 3.53Å; V334-G462 WeakPolarHBondContact CA-O 2.98Å; V334-T464 HydrophobicContact CG1-CG2 3.76Å; V334-L467 HydrophobicContact CG1-CD2 4.06Å; V334-I481 HydrophobicContact CG2-CB 4.16Å; V334-I481 HydrophobicContact CG2-CD1 4Å; V334-I481 HydrophobicContact CG2-CG2 4.07Å; V334-P483 PolarHBondContact N-O 3.46Å; V334-L485 PolarHBondContact O-N 2.9Å
335	I	90.2	Very high	83.2	Confident	0 Å²	0	18 Å²	18	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	121.5	172.7	-65.2	-179.8	0	0	0	108.6	L337 V346 L461 G462 L463 T464 L485	I335-L337 HydrophobicContact CG2-CD1 3.82Å; I335-L337 HydrophobicContact CG2-CG 3.74Å; I335-V346 HydrophobicContact CD1-CG1 4.16Å; I335-L461 HydrophobicContact CB-CD1 4.5Å; I335-L461 HydrophobicContact CD1-CD1 3.81Å; I335-L461 HydrophobicContact CG1-CD1 3.97Å; I335-G462 PolarHBondContact N-O 3.37Å; I335-L463 HydrophobicContact CB-CD2 4.12Å; I335-L463 HydrophobicContact CG2-CD2 4.44Å; I335-T464 PolarHBondContact O-N 2.69Å; I335-T464 VanDerWaalsContact O-N 3.16Å; I335-L485 HydrophobicContact CG1-CB 4.31Å; I335-L485 HydrophobicContact CG1-CD1 4.45Å
336	V	87.4	Confident	83.6	Confident	6 Å²	6	16.5 Å²	16.5	4%	0.036	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	109.2	-180	-168.8	0	0	0	0	109	V334 T464 L467 K484 Y486 E487 A488	V334-V336 HydrophobicContact CG1-CG2 4.44Å; V336-T464 CarbonylContact C-O 3.55Å; V336-T464 VanDerWaalsContact CA-O 3.29Å; V336-T464 WeakPolarHBondContact CA-O 3.42Å; V336-T464 HydrophobicContact CB-CG2 4.39Å; V336-T464 HydrophobicContact CG1-CG2 4.3Å; V336-T464 HydrophobicContact CG2-CG2 3.9Å; V336-L467 HydrophobicContact CG2-CD1 3.44Å; V336-L467 VanDerWaalsContact CG2-CD1 3.44Å; V336-L467 HydrophobicContact CG2-CD2 4.13Å; V336-L467 HydrophobicContact CG2-CG 3.5Å; V336-L467 VanDerWaalsContact CG2-CG 3.5Å; V336-K484 HydrophobicContact CG2-CD 4.25Å; V336-K484 HydrophobicContact CG2-CG 4.22Å; V336-Y486 PolarHBondContact N-O 3.47Å; V336-E487 HydrophobicContact CB-CB 4.12Å; V336-E487 HydrophobicContact CB-CG 4.06Å; V336-E487 HydrophobicContact CG1-CG 4.22Å; V336-E487 WeakPolarHBondContact O-CA 3.37Å; V336-A488 PolarHBondContact O-N 3.16Å; V336-A488 VanDerWaalsContact O-N 3.07Å
337	L	87.2	Confident	84.7	Confident	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.101	C	C	.	.			trans	-129	130.6	177.9	-68.6	170	0	0	0	109.7	Y316 I335 K343 V346 T464 A465 Y486 A488	Y316-L337 HydrophobicContact CD2-CD2 4.05Å; Y316-L337 HydrophobicContact CE2-CD2 4.3Å; I335-L337 HydrophobicContact CG2-CD1 3.82Å; I335-L337 HydrophobicContact CG2-CG 3.74Å; L337-K343 HydrophobicContact CB-CD 4.45Å; L337-K343 HydrophobicContact CB-CG 3.7Å; L337-K343 HydrophobicContact CD1-CG 4.45Å; L337-K343 WeakPolarHBondContact O-CD 2.94Å; L337-V346 HydrophobicContact CD1-CB 4.23Å; L337-V346 HydrophobicContact CD1-CG2 3.72Å; L337-T464 PolarHBondContact N-O 3.27Å; L337-A465 VanDerWaalsContact O-CA 3.29Å; L337-A465 WeakPolarHBondContact O-CA 3.15Å; L337-Y486 HydrophobicContact CD2-CD1 4.24Å; L337-Y486 HydrophobicContact CD2-CE1 4.06Å; L337-A488 HydrophobicContact CD2-CB 3.76Å
338	P	81.4	Confident	85.9	Confident	2 Å²	2	9.9 Å²	9.9	1%	0.013	7%	0.069	C	C	.	.			trans	-59.8	154.9	179.4	21.1	-28.8	0	0	0	112.2	G340 A341 W490 L493 I499	P338-G340 PolarHBondContact O-N 3.18Å; P338-A341 HydrophobicContact CG-CB 3.83Å; P338-A341 VanDerWaalsContact O-CB 3.29Å; P338-A341 WeakPolarHBondContact O-CB 3.37Å; P338-A341 PolarHBondContact O-N 2.95Å; P338-W490 HydrophobicContact CB-CD2 3.78Å; P338-W490 HydrophobicContact CB-CE3 3.61Å; P338-W490 HydrophobicContact CB-CH2 3.25Å; P338-W490 HydrophobicContact CB-CZ2 3.41Å; P338-W490 VanDerWaalsContact CB-CZ2 3.41Å; P338-W490 HydrophobicContact CB-CZ3 3.33Å; P338-W490 HydrophobicContact CG-CD2 4.23Å; P338-W490 HydrophobicContact CG-CE3 4.22Å; P338-W490 HydrophobicContact CG-CZ3 4.38Å; P338-L493 HydrophobicContact CG-CD1 3.39Å; P338-I499 HydrophobicContact CB-CD1 4.1Å; P338-I499 HydrophobicContact CG-CD1 3.68Å
339	C	77.4	Confident	87	Confident	5 Å²	5	9.4 Å²	9.4	3%	0.034	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	134.4	174	-67.9	0	0	0	0	110.2	A341 A465 Q635 G638 R639	C339-A341 VanDerWaalsContact C-N 3.32Å; C339-A341 PolarHBondContact O-N 3.27Å; C339-A465 VanDerWaalsContact SG-CB 3.6Å; C339-Q635 VanDerWaalsContact SG-CG 3.57Å; C339-G638 CarbonylContact C-O 3.52Å; C339-G638 WeakPolarHBondContact CB-O 3.35Å; C339-G638 VanDerWaalsContact O-O 3.13Å; C339-R639 HydrophobicContact CB-CG 3.74Å
340	G	75.1	Confident	87.7	Confident	36 Å²	36	7.6 Å²	7.6	37%	0.371	6%	0.055	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.6	-9.5	-175.9	0	0	0	0	0	115.8	P338 G342	P338-G340 PolarHBondContact O-N 3.18Å; G340-G342 PolarHBondContact O-N 3.09Å
341	A	80.9	Confident	88.1	Confident	0 Å²	0	7.7 Å²	7.7	0%	0	6%	0.056	C	C	.	.	S	Bend	trans	-80.3	2.9	177.9	0	0	0	0	0	114.7	Y316 Q317 P338 C339 L493	Y316-A341 HydrophobicContact CE2-CB 3.96Å; Y316-A341 WeakPolarHBondContact CE2-O 3.47Å; Y316-A341 PolarHBondContact OH-O 3.26Å; Q317-A341 PolarHBondContact NE2-O 2.99Å; P338-A341 HydrophobicContact CG-CB 3.83Å; P338-A341 VanDerWaalsContact O-CB 3.29Å; P338-A341 WeakPolarHBondContact O-CB 3.37Å; P338-A341 PolarHBondContact O-N 2.95Å; C339-A341 VanDerWaalsContact C-N 3.32Å; C339-A341 PolarHBondContact O-N 3.27Å; A341-L493 HydrophobicContact CB-CD1 4.24Å
342	G	84.7	Confident	88.4	Confident	26 Å²	26	7.2 Å²	7.2	27%	0.268	6%	0.055	S	C	.	.			trans	88.3	40.7	177.6	0	0	0	0	0	114.7	G340 S344 L345 V346	G340-G342 PolarHBondContact O-N 3.09Å; G342-S344 VanDerWaalsContact C-N 3.27Å; G342-S344 PolarHBondContact O-N 2.93Å; G342-L345 WeakPolarHBondContact O-CB 3.32Å; G342-L345 PolarHBondContact O-N 3.43Å; G342-L345 VanDerWaalsContact O-N 3.08Å; G342-V346 PolarHBondContact O-N 3.3Å
343	K	88.6	Confident	88.6	Confident	20 Å²	20	9.8 Å²	9.8	9%	0.087	7%	0.071	C	C	.	.	H	α-helix	trans	-47	-49.1	172.5	-79.5	-169.4	-75.3	179.5	0	112.7	L337 L345 V346 G347 E439	L337-K343 HydrophobicContact CB-CD 4.45Å; L337-K343 HydrophobicContact CB-CG 3.7Å; L337-K343 HydrophobicContact CD1-CG 4.45Å; L337-K343 WeakPolarHBondContact O-CD 2.94Å; K343-L345 VanDerWaalsContact C-N 3.31Å; K343-L345 PolarHBondContact O-N 3.35Å; K343-V346 PolarHBondContact O-N 3.25Å; K343-G347 PolarHBondContact O-N 3.41Å; K343-G347 VanDerWaalsContact O-N 3.16Å; K343-E439 IonicContact NZ-OE1 3.03Å; K343-E439 PolarHBondContact NZ-OE1 2.84Å; K343-E439 IonicContact NZ-OE2 3.77Å; K343-E439 PolarHBondContact NZ-OE2 3.5Å
344	S	90.3	Very high	88.8	Confident	18 Å²	18	9.9 Å²	9.9	13%	0.126	7%	0.072	C	C	.	.	H	α-helix	trans	-64.1	-35.5	-178.9	-48.2	0	0	0	0	112.9	G342 G347 V348	G342-S344 VanDerWaalsContact C-N 3.27Å; G342-S344 PolarHBondContact O-N 2.93Å; S344-G347 PolarHBondContact O-N 3.12Å; S344-V348 VanDerWaalsContact O-CG2 3.3Å; S344-V348 WeakPolarHBondContact O-CG2 3.32Å; S344-V348 PolarHBondContact O-N 3.13Å
345	L	92.6	Very high	89	Confident	16 Å²	16	15.3 Å²	15.3	8%	0.084	9%	0.092	C	C	.	.	H	α-helix	trans	-66.6	-39.7	178.7	-176.7	60.9	0	0	0	111.5	L313 G342 K343 V348 T349 W378	L313-L345 HydrophobicContact CD2-CD1 4.41Å; L313-L345 HydrophobicContact CD2-CD2 3.9Å; L313-L345 HydrophobicContact CD2-CG 3.83Å; G342-L345 WeakPolarHBondContact O-CB 3.32Å; G342-L345 PolarHBondContact O-N 3.43Å; G342-L345 VanDerWaalsContact O-N 3.08Å; K343-L345 VanDerWaalsContact C-N 3.31Å; K343-L345 PolarHBondContact O-N 3.35Å; L345-V348 PolarHBondContact O-N 3.2Å; L345-T349 WeakPolarHBondContact O-CB 3.48Å; L345-T349 PolarHBondContact O-N 3.48Å; L345-T349 PolarHBondContact O-OG1 3.47Å; L345-W378 HydrophobicContact CD1-CB 4.04Å; L345-W378 HydrophobicContact CD1-CD2 3.85Å; L345-W378 HydrophobicContact CD1-CE3 4.38Å; L345-W378 HydrophobicContact CD1-CG 3.71Å
346	V	94.3	Very high	89.1	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-62	-44.1	174.1	173.5	0	0	0	0	110.8	Q317 L321 I335 L337 G342 K343 T349 A350	Q317-V346 HydrophobicContact CB-CG2 3.83Å; Q317-V346 HydrophobicContact CG-CG2 3.84Å; L321-V346 HydrophobicContact CD2-CG1 3.88Å; L321-V346 HydrophobicContact CG-CG1 4.15Å; I335-V346 HydrophobicContact CD1-CG1 4.16Å; L337-V346 HydrophobicContact CD1-CB 4.23Å; L337-V346 HydrophobicContact CD1-CG2 3.72Å; G342-V346 PolarHBondContact O-N 3.3Å; K343-V346 PolarHBondContact O-N 3.25Å; V346-T349 PolarHBondContact O-N 3.47Å; V346-A350 WeakPolarHBondContact O-CB 3.33Å; V346-A350 PolarHBondContact O-N 3.22Å
347	G	94.1	Very high	89.3	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63	-44.9	175.7	0	0	0	0	0	113.5	K343 S344 T349 A350 A351 I436	K343-G347 PolarHBondContact O-N 3.41Å; K343-G347 VanDerWaalsContact O-N 3.16Å; S344-G347 PolarHBondContact O-N 3.12Å; G347-T349 VanDerWaalsContact C-N 3.31Å; G347-T349 PolarHBondContact O-N 2.93Å; G347-A350 PolarHBondContact O-N 3.15Å; G347-A351 PolarHBondContact O-N 3.05Å; G347-I436 WeakPolarHBondContact O-CD1 3.49Å
348	V	94.6	Very high	89.6	Confident	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.9	-41.9	175.8	173.6	0	0	0	0	110.6	L307 S344 L345 A351 C352 W371 F375 W378	L307-V348 HydrophobicContact CD1-CG1 4.36Å; S344-V348 VanDerWaalsContact O-CG2 3.3Å; S344-V348 WeakPolarHBondContact O-CG2 3.32Å; S344-V348 PolarHBondContact O-N 3.13Å; L345-V348 PolarHBondContact O-N 3.2Å; V348-A351 PolarHBondContact O-N 3.29Å; V348-C352 PolarHBondContact O-N 3.27Å; V348-C352 PolarHBondContact O-SG 3.31Å; V348-W371 HydrophobicContact CG2-CZ3 4.38Å; V348-F375 HydrophobicContact CB-CE1 4.38Å; V348-F375 HydrophobicContact CG1-CD1 4.21Å; V348-F375 HydrophobicContact CG1-CE1 4.36Å; V348-F375 HydrophobicContact CG2-CD1 3.95Å; V348-F375 HydrophobicContact CG2-CD2 4.1Å; V348-F375 HydrophobicContact CG2-CE1 3.98Å; V348-F375 HydrophobicContact CG2-CE2 4.1Å; V348-F375 HydrophobicContact CG2-CG 4Å; V348-F375 HydrophobicContact CG2-CZ 4.05Å; V348-W378 HydrophobicContact CG1-CB 4.18Å
349	T	94.9	Very high	90.1	Very high	9 Å²	9	18.3 Å²	18.3	6%	0.055	10%	0.103	C	C	.	.	H	α-helix	trans	-64.8	-44.4	177.8	-53	0	0	0	0	111.2	L313 L321 L345 V346 G347 A351 C352 T353	L313-T349 HydrophobicContact CD1-CG2 3.81Å; L313-T349 HydrophobicContact CD2-CG2 4.47Å; L313-T349 WeakPolarHBondContact CD2-OG1 3.44Å; L321-T349 HydrophobicContact CD1-CG2 3.51Å; L345-T349 WeakPolarHBondContact O-CB 3.48Å; L345-T349 PolarHBondContact O-N 3.48Å; L345-T349 PolarHBondContact O-OG1 3.47Å; V346-T349 PolarHBondContact O-N 3.47Å; G347-T349 VanDerWaalsContact C-N 3.31Å; G347-T349 PolarHBondContact O-N 2.93Å; T349-A351 VanDerWaalsContact C-N 3.29Å; T349-A351 PolarHBondContact O-N 3.02Å; T349-C352 CarbonylContact O-C 3.57Å; T349-C352 PolarHBondContact O-N 2.99Å; T349-C352 VanDerWaalsContact O-N 3.11Å; T349-T353 PolarHBondContact O-N 3.23Å; T349-T353 PolarHBondContact O-OG1 3.22Å
350	A	94	Very high	90.9	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-58.9	-41.1	175.5	0	0	0	0	0	111.8	L321 M324 F325 V346 G347 T353 V354 L434 L461	L321-A350 HydrophobicContact CD2-CB 4.06Å; M324-A350 HydrophobicContact CE-CB 4.34Å; M324-A350 HydrophobicContact SD-CB 4.18Å; F325-A350 HydrophobicContact CE2-CB 4.33Å; F325-A350 HydrophobicContact CZ-CB 4.16Å; V346-A350 WeakPolarHBondContact O-CB 3.33Å; V346-A350 PolarHBondContact O-N 3.22Å; G347-A350 PolarHBondContact O-N 3.15Å; A350-T353 PolarHBondContact O-N 3.35Å; A350-V354 WeakPolarHBondContact O-CG2 3.29Å; A350-V354 PolarHBondContact O-N 2.91Å; A350-L434 HydrophobicContact CB-CD2 4.02Å; A350-L461 HydrophobicContact CB-CD2 3.89Å
351	A	93.9	Very high	91.7	Very high	2 Å²	2	16.4 Å²	16.4	2%	0.017	8%	0.084	C	C	.	.	H	α-helix	trans	-64.1	-40.6	174.3	0	0	0	0	0	112.5	G347 V348 T349 T353 R355 C358 F375 L434	G347-A351 PolarHBondContact O-N 3.05Å; V348-A351 PolarHBondContact O-N 3.29Å; T349-A351 VanDerWaalsContact C-N 3.29Å; T349-A351 PolarHBondContact O-N 3.02Å; A351-T353 VanDerWaalsContact C-N 3.34Å; A351-R355 PolarHBondContact O-N 3.48Å; A351-C358 HydrophobicContact CB-CB 4.31Å; A351-F375 HydrophobicContact CB-CE1 3.95Å; A351-F375 HydrophobicContact CB-CZ 4.29Å; A351-L434 HydrophobicContact CB-CD2 4.29Å
352	C	92.8	Very high	92	Very high	7 Å²	7	16.4 Å²	16.4	5%	0.047	8%	0.084	C	C	.	.	H	α-helix	trans	-67.3	-32.4	175.6	-61.6	0	0	0	0	112.7	L307 V348 T349 R355	L307-C352 HydrophobicContact CB-CB 4.39Å; V348-C352 PolarHBondContact O-N 3.27Å; V348-C352 PolarHBondContact O-SG 3.31Å; T349-C352 CarbonylContact O-C 3.57Å; T349-C352 PolarHBondContact O-N 2.99Å; T349-C352 VanDerWaalsContact O-N 3.11Å; C352-R355 WeakPolarHBondContact O-CG 3.25Å
353	T	91.5	Very high	91.9	Very high	56 Å²	56	17.8 Å²	17.8	34%	0.344	9%	0.085	S	C	.	.	H	α-helix	trans	-75.8	-42.3	177.9	-56.9	0	0	0	0	111.7	F294 F325 T349 A350 A351	F294-T353 VanDerWaalsContact CE2-O 3.26Å; F294-T353 WeakPolarHBondContact CE2-O 3.33Å; F294-T353 HydrophobicContact CZ-CG2 4.3Å; F325-T353 HydrophobicContact CD1-CG2 4.18Å; F325-T353 HydrophobicContact CD2-CG2 4.1Å; F325-T353 HydrophobicContact CE1-CG2 3.94Å; F325-T353 HydrophobicContact CE2-CG2 3.86Å; F325-T353 HydrophobicContact CG-CG2 4.27Å; F325-T353 HydrophobicContact CZ-CG2 3.79Å; T349-T353 PolarHBondContact O-N 3.23Å; T349-T353 PolarHBondContact O-OG1 3.22Å; A350-T353 PolarHBondContact O-N 3.35Å; A351-T353 VanDerWaalsContact C-N 3.34Å
354	V	91.6	Very high	91.6	Very high	2 Å²	2	18 Å²	18	1%	0.012	9%	0.089	C	C	.	.	H	α-helix	trans	-71.2	-33.7	179.9	174.3	0	0	0	0	111.5	Y292 F294 F325 A330 A350 K356 L434	Y292-V354 HydrophobicContact CD1-CG1 4.49Å; Y292-V354 HydrophobicContact CE1-CG1 4.06Å; F294-V354 HydrophobicContact CB-CG1 4.01Å; F294-V354 HydrophobicContact CG-CG1 4.35Å; F325-V354 HydrophobicContact CE1-CG2 3.62Å; F325-V354 HydrophobicContact CZ-CG2 3.86Å; A330-V354 HydrophobicContact CB-CG2 4.41Å; A350-V354 WeakPolarHBondContact O-CG2 3.29Å; A350-V354 PolarHBondContact O-N 2.91Å; V354-K356 HydrophobicContact CG1-CB 3.93Å; V354-K356 HydrophobicContact CG1-CG 3.9Å; V354-K356 WeakPolarHBondContact O-CG 3.1Å; V354-K356 PolarHBondContact O-N 3.24Å; V354-K356 VanDerWaalsContact O-N 3.08Å; V354-L434 HydrophobicContact CG1-CB 4.45Å; V354-L434 HydrophobicContact CG2-CD2 4.45Å
355	R	91.9	Very high	91.1	Very high	116 Å²	116	19.7 Å²	19.7	44%	0.438	10%	0.101	S	C	.	.			trans	56.1	19.8	179.4	-60.9	-173.9	172.2	169.9	-4.5	115.8	D302 I303 I305 D306 A351 C352	D302-R355 WeakPolarHBondContact CA-O 3.32Å; I303-R355 PolarHBondContact N-O 3.27Å; I305-R355 HydrophobicContact CG2-CG 4.49Å; D306-R355 IonicContact OD1-CZ 3.91Å; D306-R355 IonicContact OD1-NE 3.41Å; D306-R355 PolarHBondContact OD1-NE 3.4Å; D306-R355 IonicContact OD1-NH2 3.07Å; D306-R355 PolarHBondContact OD1-NH2 2.66Å; D306-R355 IonicContact OD2-NH2 2.68Å; A351-R355 PolarHBondContact O-N 3.48Å; C352-R355 WeakPolarHBondContact O-CG 3.25Å
356	K	91.4	Very high	90.5	Very high	7 Å²	7	21.3 Å²	21.3	3%	0.03	11%	0.111	C	C	.	.	S	Bend	trans	-109.3	174.9	174	-55.4	-59.6	-167.5	-175.3	0	111.2	Y292 F294 D297 N300 D302 I303 V354 C358	Y292-K356 HydrophobicContact CE1-CG 4.24Å; Y292-K356 WeakPolarHBondContact OH-CG 3.3Å; F294-K356 WeakPolarHBondContact O-CE 3.47Å; D297-K356 PolarHBondContact O-NZ 2.95Å; N300-K356 HydrophobicContact CB-CD 4.08Å; N300-K356 PolarHBondContact O-NZ 3.02Å; D302-K356 WeakPolarHBondContact OD1-CD 3.45Å; D302-K356 VanDerWaalsContact OD1-CE 3.3Å; D302-K356 WeakPolarHBondContact OD1-CE 3.24Å; D302-K356 IonicContact OD1-NZ 3.45Å; D302-K356 PolarHBondContact OD1-NZ 2.86Å; I303-K356 VanDerWaalsContact CD1-C 3.41Å; V354-K356 HydrophobicContact CG1-CB 3.93Å; V354-K356 HydrophobicContact CG1-CG 3.9Å; V354-K356 WeakPolarHBondContact O-CG 3.1Å; V354-K356 PolarHBondContact O-N 3.24Å; V354-K356 VanDerWaalsContact O-N 3.08Å; K356-C358 PolarHBondContact O-N 3.38Å
357	R	91.6	Very high	90	Very high	64 Å²	64	22.2 Å²	22.2	24%	0.242	12%	0.117	C	C	.	.			trans	-58.2	129.9	178.7	-69.5	-173.9	-176.3	-174.5	10.7	110.6	I303 S401 Q430 W432 G433 L434	I303-R357 VanDerWaalsContact CD1-CA 3.46Å; I303-R357 HydrophobicContact CD1-CB 4.18Å; I303-R357 HydrophobicContact CD1-CG 3.64Å; I303-R357 VanDerWaalsContact CD1-N 3.33Å; R357-S401 WeakPolarHBondContact CA-O 3.23Å; R357-Q430 VanDerWaalsContact NH1-NE2 3.18Å; R357-W432 HydrophobicContact CB-CE3 3.9Å; R357-W432 HydrophobicContact CB-CZ3 4.12Å; R357-G433 PolarHBondContact O-N 2.81Å; R357-L434 PolarHBondContact O-N 3.38Å
358	C	93.2	Very high	89.7	Confident	1 Å²	1	22.2 Å²	22.2	1%	0.007	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	130.1	-175.3	-174.6	0	0	0	0	111.4	A351 K356 S401 V402 A403 W432 L434	A351-C358 HydrophobicContact CB-CB 4.31Å; K356-C358 PolarHBondContact O-N 3.38Å; C358-S401 PolarHBondContact N-O 3.36Å; C358-V402 HydrophobicContact CB-CG1 4.49Å; C358-V402 HydrophobicContact CB-CG2 4.33Å; C358-V402 WeakPolarHBondContact O-CA 3.46Å; C358-A403 PolarHBondContact O-N 3.27Å; C358-W432 WeakPolarHBondContact O-CZ3 3.37Å; C358-L434 CarbonylContact C-O 3.36Å; C358-L434 VanDerWaalsContact CA-O 3.26Å; C358-L434 WeakPolarHBondContact CA-O 3.37Å; C358-L434 PolarHBondContact SG-O 3.32Å
359	L	93.5	Very high	89.3	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	124	170.9	179.8	67.7	0	0	0	109.3	L361 A403 L410 W432 L434 M435 I436 V455	L359-L361 HydrophobicContact CD1-CD2 4.4Å; L359-L361 HydrophobicContact CD2-CD1 4.28Å; L359-L361 HydrophobicContact CD2-CD2 4.23Å; L359-L361 HydrophobicContact CD2-CG 4.25Å; L359-L361 HydrophobicContact CG-CD2 4.24Å; L359-L361 HydrophobicContact CG-CG 4.2Å; L359-A403 CarbonylContact C-O 3.51Å; L359-A403 WeakPolarHBondContact CA-O 3.13Å; L359-A403 HydrophobicContact CD1-CB 3.71Å; L359-L410 HydrophobicContact CD2-CD2 4.4Å; L359-W432 HydrophobicContact CB-CD2 3.77Å; L359-W432 HydrophobicContact CB-CE3 3.69Å; L359-W432 HydrophobicContact CB-CG 4.23Å; L359-W432 HydrophobicContact CB-CZ3 4.12Å; L359-L434 PolarHBondContact N-O 3.33Å; L359-M435 CarbonylContact O-C 3.53Å; L359-M435 VanDerWaalsContact O-CA 3.31Å; L359-M435 WeakPolarHBondContact O-CA 3.23Å; L359-I436 PolarHBondContact O-N 3.39Å; L359-V455 HydrophobicContact CD2-CB 4.38Å; L359-V455 HydrophobicContact CD2-CG1 3.63Å; L359-V455 HydrophobicContact CD2-CG2 3.96Å
360	V	93.9	Very high	88.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	127.7	176	-175.2	0	0	0	0	109.6	W371 F375 A403 I404 S405 I436	V360-W371 HydrophobicContact CG1-CB 4.35Å; V360-W371 HydrophobicContact CG1-CD2 3.72Å; V360-W371 HydrophobicContact CG1-CE3 4.1Å; V360-W371 HydrophobicContact CG1-CG 3.84Å; V360-F375 HydrophobicContact CG2-CE2 3.78Å; V360-F375 HydrophobicContact CG2-CZ 3.97Å; V360-A403 PolarHBondContact N-O 2.92Å; V360-I404 HydrophobicContact CB-CB 4.47Å; V360-I404 HydrophobicContact CB-CG1 4.23Å; V360-I404 HydrophobicContact CB-CG2 4.11Å; V360-I404 HydrophobicContact CG1-CG2 4.28Å; V360-I404 CarbonylContact O-C 3.53Å; V360-I404 WeakPolarHBondContact O-CA 3.24Å; V360-S405 PolarHBondContact O-N 3.12Å; V360-I436 WeakPolarHBondContact CA-O 3.47Å; V360-I436 HydrophobicContact CB-CB 4.49Å; V360-I436 HydrophobicContact CG1-CB 4.32Å; V360-I436 HydrophobicContact CG1-CG2 4.39Å; V360-I436 HydrophobicContact CG2-CB 4.12Å; V360-I436 HydrophobicContact CG2-CD1 4.08Å; V360-I436 HydrophobicContact CG2-CG1 4.42Å
361	L	91.3	Very high	88.7	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	121.1	-179.4	-63.5	173.5	0	0	0	110.3	L359 S405 Y407 L410 M435 I436 L437 D438 V451	L359-L361 HydrophobicContact CD1-CD2 4.4Å; L359-L361 HydrophobicContact CD2-CD1 4.28Å; L359-L361 HydrophobicContact CD2-CD2 4.23Å; L359-L361 HydrophobicContact CD2-CG 4.25Å; L359-L361 HydrophobicContact CG-CD2 4.24Å; L359-L361 HydrophobicContact CG-CG 4.2Å; L361-S405 WeakPolarHBondContact CA-O 3.36Å; L361-Y407 HydrophobicContact CB-CD1 3.94Å; L361-Y407 HydrophobicContact CB-CE1 3.42Å; L361-Y407 VanDerWaalsContact CB-CE1 3.42Å; L361-Y407 HydrophobicContact CB-CE2 4.35Å; L361-Y407 HydrophobicContact CD1-CD1 4.24Å; L361-Y407 HydrophobicContact CD1-CE1 3.97Å; L361-Y407 HydrophobicContact CG-CE1 4.32Å; L361-Y407 PolarHBondContact O-OH 2.89Å; L361-L410 HydrophobicContact CD1-CD2 4.25Å; L361-L410 HydrophobicContact CD2-CD1 3.85Å; L361-L410 HydrophobicContact CD2-CD2 3.75Å; L361-L410 HydrophobicContact CD2-CG 4.42Å; L361-M435 HydrophobicContact CD1-CG 4.33Å; L361-M435 HydrophobicContact CD1-SD 4.06Å; L361-I436 PolarHBondContact N-O 3.35Å; L361-L437 HydrophobicContact CB-CD2 4.22Å; L361-L437 HydrophobicContact CD1-CD2 3.68Å; L361-L437 HydrophobicContact CG-CD2 4.46Å; L361-D438 PolarHBondContact O-N 3.08Å; L361-V451 HydrophobicContact CD1-CG1 3.61Å
362	G	88.3	Confident	88.6	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	168.9	176.7	0	0	0	0	0	113.2	S405 T406 Y407	G362-S405 PolarHBondContact N-O 3.17Å; G362-T406 VanDerWaalsContact O-CA 3.24Å; G362-T406 WeakPolarHBondContact O-CA 3.25Å; G362-Y407 WeakPolarHBondContact O-CD2 3.39Å; G362-Y407 PolarHBondContact O-N 3.11Å; G362-Y407 VanDerWaalsContact O-N 3.1Å
363	N	82.8	Confident	88.5	Confident	56 Å²	56	32 Å²	32	30%	0.299	17%	0.168	S	C	.	.	S	Bend	trans	-77.3	-42	179.2	-71.7	-13.3	0	0	0	113.2	Y407 E439 T442	N363-Y407 VanDerWaalsContact OD1-CD2 3.29Å; N363-Y407 WeakPolarHBondContact OD1-CD2 3.46Å; N363-Y407 VanDerWaalsContact OD1-CE2 3.25Å; N363-Y407 WeakPolarHBondContact OD1-CE2 3.36Å; N363-E439 WeakPolarHBondContact ND2-CB 3.25Å; N363-T442 VanDerWaalsContact CG-OG1 3.31Å; N363-T442 PolarHBondContact ND2-OG1 3.25Å; N363-T442 PolarHBondContact OD1-OG1 3.42Å
364	S	80.7	Confident	88.4	Confident	24 Å²	24	31.7 Å²	31.7	17%	0.168	16%	0.162	C	C	.	.	S	Bend	trans	-127	163.3	-174.2	71.4	0	0	0	0	111.8	V366 S367 V368 T610	S364-V366 PolarHBondContact O-N 3.4Å; S364-V366 PolarHBondContact OG-N 3.36Å; S364-S367 WeakPolarHBondContact O-CB 3.49Å; S364-S367 PolarHBondContact O-N 2.68Å; S364-S367 PolarHBondContact OG-N 3.44Å; S364-S367 PolarHBondContact OG-OG 2.84Å; S364-V368 PolarHBondContact O-N 3.12Å; S364-T610 PolarHBondContact OG-O 3.23Å
365	S	81	Confident	88.5	Confident	53 Å²	53	31.6 Å²	31.6	37%	0.371	16%	0.162	S	C	.	.	H	α-helix	trans	-59.5	-26.1	172.7	53.1	0	0	0	0	112.4	V368 E369	S365-V368 WeakPolarHBondContact O-CB 3.34Å; S365-V368 PolarHBondContact O-N 2.96Å; S365-E369 PolarHBondContact O-N 2.93Å
366	V	79.9	Confident	88.5	Confident	50 Å²	50	29.5 Å²	29.5	30%	0.303	16%	0.156	S	C	.	.	H	α-helix	trans	-77.2	-36.7	177.4	-175	0	0	0	0	112	S364 V368 E369 Q370 S611 F612	S364-V366 PolarHBondContact O-N 3.4Å; S364-V366 PolarHBondContact OG-N 3.36Å; V366-V368 PolarHBondContact O-N 3.21Å; V366-E369 PolarHBondContact O-N 3.17Å; V366-Q370 WeakPolarHBondContact O-CB 3.47Å; V366-Q370 PolarHBondContact O-N 2.82Å; V366-S611 WeakPolarHBondContact CB-O 3.07Å; V366-S611 WeakPolarHBondContact CG2-O 3.44Å; V366-F612 HydrophobicContact CG1-CB 4.45Å
367	S	83.6	Confident	88.5	Confident	19 Å²	19	34.5 Å²	34.5	13%	0.133	18%	0.181	C	C	.	.	H	α-helix	trans	-57.7	-40.8	168.9	-58.1	0	0	0	0	111.1	S364 E369 Q370 W371	S364-S367 WeakPolarHBondContact O-CB 3.49Å; S364-S367 PolarHBondContact O-N 2.68Å; S364-S367 PolarHBondContact OG-N 3.44Å; S364-S367 PolarHBondContact OG-OG 2.84Å; S367-E369 PolarHBondContact O-N 3.48Å; S367-Q370 PolarHBondContact O-N 3.22Å; S367-W371 PolarHBondContact O-N 2.69Å
368	V	87.6	Confident	88.5	Confident	1 Å²	1	34.3 Å²	34.3	1%	0.006	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-45.4	177.2	170.4	0	0	0	0	111.6	S364 S365 V366 W371 K372 R388 T390 I404 T406	S364-V368 PolarHBondContact O-N 3.12Å; S365-V368 WeakPolarHBondContact O-CB 3.34Å; S365-V368 PolarHBondContact O-N 2.96Å; V366-V368 PolarHBondContact O-N 3.21Å; V368-W371 PolarHBondContact O-N 3.35Å; V368-K372 PolarHBondContact O-N 2.85Å; V368-R388 HydrophobicContact CG1-CB 4.08Å; V368-R388 HydrophobicContact CG1-CG 3.87Å; V368-T390 HydrophobicContact CB-CG2 4.04Å; V368-T390 HydrophobicContact CG1-CG2 3.88Å; V368-T390 HydrophobicContact CG2-CG2 3.99Å; V368-I404 HydrophobicContact CB-CG2 4.03Å; V368-I404 HydrophobicContact CG1-CB 4.09Å; V368-I404 HydrophobicContact CG1-CG2 3.67Å; V368-I404 HydrophobicContact CG2-CG2 4.06Å; V368-T406 HydrophobicContact CG2-CG2 3.67Å
369	E	85.4	Confident	88.5	Confident	78 Å²	78	34.2 Å²	34.2	36%	0.364	18%	0.18	S	C	.	.	H	α-helix	trans	-68.9	-35.6	179	-164	61.4	-161.3	0	0	112.6	S365 V366 S367 K372 S373 R388	S365-E369 PolarHBondContact O-N 2.93Å; V366-E369 PolarHBondContact O-N 3.17Å; S367-E369 PolarHBondContact O-N 3.48Å; E369-K372 PolarHBondContact O-N 2.84Å; E369-S373 WeakPolarHBondContact O-CB 3.45Å; E369-S373 PolarHBondContact O-N 3.3Å; E369-S373 PolarHBondContact O-OG 3.4Å; E369-R388 IonicContact OE1-NH1 3.42Å; E369-R388 PolarHBondContact OE1-NH1 3.04Å; E369-R388 VanDerWaalsContact OE2-CD 3.26Å; E369-R388 WeakPolarHBondContact OE2-CD 3.33Å; E369-R388 IonicContact OE2-CZ 3.33Å; E369-R388 IonicContact OE2-NE 3.67Å; E369-R388 IonicContact OE2-NH1 3.97Å; E369-R388 PolarHBondContact OE2-NH1 2.96Å
370	Q	86.1	Confident	88.6	Confident	77 Å²	77	37.4 Å²	37.4	36%	0.36	20%	0.199	S	C	.	.	H	α-helix	trans	-62.7	-49.7	173.7	-175.7	177.9	8.1	0	0	110.6	V366 S367 K372 S373 Q374	V366-Q370 WeakPolarHBondContact O-CB 3.47Å; V366-Q370 PolarHBondContact O-N 2.82Å; S367-Q370 PolarHBondContact O-N 3.22Å; Q370-K372 PolarHBondContact O-N 3.26Å; Q370-S373 WeakPolarHBondContact O-CB 3.45Å; Q370-S373 PolarHBondContact O-N 3.25Å; Q370-S373 VanDerWaalsContact O-N 3.17Å; Q370-Q374 HydrophobicContact CG-CG 4.48Å; Q370-Q374 VanDerWaalsContact O-CG 3.3Å; Q370-Q374 WeakPolarHBondContact O-CG 3.35Å; Q370-Q374 PolarHBondContact O-N 3.1Å
371	W	91.4	Very high	88.4	Confident	1 Å²	1	38 Å²	38	0%	0.004	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-46.7	176.5	-85.5	103.5	0	0	0	111.3	V348 V360 S367 V368 S373 Q374 F375 I404 I436 D438 L463	V348-W371 HydrophobicContact CG2-CZ3 4.38Å; V360-W371 HydrophobicContact CG1-CB 4.35Å; V360-W371 HydrophobicContact CG1-CD2 3.72Å; V360-W371 HydrophobicContact CG1-CE3 4.1Å; V360-W371 HydrophobicContact CG1-CG 3.84Å; S367-W371 PolarHBondContact O-N 2.69Å; V368-W371 PolarHBondContact O-N 3.35Å; W371-S373 VanDerWaalsContact C-N 3.29Å; W371-S373 PolarHBondContact O-N 2.96Å; W371-Q374 PolarHBondContact O-N 3.37Å; W371-Q374 VanDerWaalsContact O-N 3.13Å; W371-F375 HydrophobicContact CE3-CD2 4.14Å; W371-F375 AromaticContact CE3-CE2 3.6Å; W371-F375 HydrophobicContact CE3-CE2 3.6Å; W371-F375 HydrophobicContact CZ3-CE2 4.05Å; W371-F375 VanDerWaalsContact O-CD2 3.28Å; W371-F375 WeakPolarHBondContact O-CD2 3.42Å; W371-F375 PolarHBondContact O-N 3.04Å; W371-I404 HydrophobicContact CB-CD1 4.14Å; W371-I404 HydrophobicContact CB-CG2 4.06Å; W371-I436 HydrophobicContact CH2-CG2 3.89Å; W371-I436 HydrophobicContact CZ2-CG2 4.17Å; W371-D438 HydrophobicContact CZ2-CB 4.25Å; W371-D438 PolarHBondContact NE1-OD2 3.49Å; W371-L463 HydrophobicContact CH2-CD1 3.6Å; W371-L463 HydrophobicContact CZ2-CD1 3.87Å
372	K	91	Very high	88.3	Confident	10 Å²	10	42.8 Å²	42.8	4%	0.043	23%	0.228	C	C	.	.	H	α-helix	trans	-54.5	-46.2	174.8	178.2	166.5	-177.1	156.1	0	111.9	V368 E369 Q370 F375 K376 D383 I386 R388 D395 I404	V368-K372 PolarHBondContact O-N 2.85Å; E369-K372 PolarHBondContact O-N 2.84Å; Q370-K372 PolarHBondContact O-N 3.26Å; K372-F375 PolarHBondContact O-N 3.3Å; K372-K376 VanDerWaalsContact CE-CE 3.41Å; K372-K376 HydrophobicContact CG-CD 4.46Å; K372-K376 WeakPolarHBondContact O-CG 3.38Å; K372-K376 PolarHBondContact O-N 3.25Å; K372-K376 VanDerWaalsContact O-N 3.08Å; K372-D383 WeakPolarHBondContact CE-OD1 3.42Å; K372-D383 IonicContact NZ-OD1 3.89Å; K372-D383 PolarHBondContact NZ-OD1 3.25Å; K372-I386 HydrophobicContact CB-CG2 4.46Å; K372-I386 HydrophobicContact CD-CG2 4.28Å; K372-I386 HydrophobicContact CG-CG2 4.02Å; K372-R388 VanDerWaalsContact CD-CD 3.41Å; K372-R388 HydrophobicContact CD-CG 3.75Å; K372-D395 IonicContact NZ-OD2 2.72Å; K372-I404 HydrophobicContact CB-CD1 3.96Å
373	S	90.1	Very high	88.3	Confident	57 Å²	57	46.6 Å²	46.6	40%	0.399	25%	0.248	S	C	.	.	H	α-helix	trans	-64.4	-40.3	178.8	-59.5	0	0	0	0	112.3	E369 Q370 W371 K376 M377	E369-S373 WeakPolarHBondContact O-CB 3.45Å; E369-S373 PolarHBondContact O-N 3.3Å; E369-S373 PolarHBondContact O-OG 3.4Å; Q370-S373 WeakPolarHBondContact O-CB 3.45Å; Q370-S373 PolarHBondContact O-N 3.25Å; Q370-S373 VanDerWaalsContact O-N 3.17Å; W371-S373 VanDerWaalsContact C-N 3.29Å; W371-S373 PolarHBondContact O-N 2.96Å; S373-K376 PolarHBondContact O-N 3Å; S373-M377 WeakPolarHBondContact O-CB 3.36Å; S373-M377 PolarHBondContact O-N 3.17Å
374	Q	90.8	Very high	88.5	Confident	50 Å²	50	48.6 Å²	48.6	23%	0.234	27%	0.266	C	S	.	.	H	α-helix	trans	-67.7	-41.5	177.7	-66.5	-61	-45.2	0	0	112.2	Q370 W371 M377 W378	Q370-Q374 HydrophobicContact CG-CG 4.48Å; Q370-Q374 VanDerWaalsContact O-CG 3.3Å; Q370-Q374 WeakPolarHBondContact O-CG 3.35Å; Q370-Q374 PolarHBondContact O-N 3.1Å; W371-Q374 PolarHBondContact O-N 3.37Å; W371-Q374 VanDerWaalsContact O-N 3.13Å; Q374-M377 PolarHBondContact O-N 3.33Å; Q374-W378 VanDerWaalsContact O-CD1 3.32Å; Q374-W378 PolarHBondContact O-N 3.19Å; Q374-W378 VanDerWaalsContact OE1-CD1 3.27Å
375	F	92.6	Very high	88.9	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-48.4	173.2	-88.5	-80.3	0	0	0	111	I305 V348 A351 V360 W371 K372 M377 S379 I386 V402 I404 I436	I305-F375 HydrophobicContact CD1-CD1 4.48Å; I305-F375 HydrophobicContact CD1-CE1 4.43Å; V348-F375 HydrophobicContact CB-CE1 4.38Å; V348-F375 HydrophobicContact CG1-CD1 4.21Å; V348-F375 HydrophobicContact CG1-CE1 4.36Å; V348-F375 HydrophobicContact CG2-CD1 3.95Å; V348-F375 HydrophobicContact CG2-CD2 4.1Å; V348-F375 HydrophobicContact CG2-CE1 3.98Å; V348-F375 HydrophobicContact CG2-CE2 4.1Å; V348-F375 HydrophobicContact CG2-CG 4Å; V348-F375 HydrophobicContact CG2-CZ 4.05Å; A351-F375 HydrophobicContact CB-CE1 3.95Å; A351-F375 HydrophobicContact CB-CZ 4.29Å; V360-F375 HydrophobicContact CG2-CE2 3.78Å; V360-F375 HydrophobicContact CG2-CZ 3.97Å; W371-F375 HydrophobicContact CE3-CD2 4.14Å; W371-F375 AromaticContact CE3-CE2 3.6Å; W371-F375 HydrophobicContact CE3-CE2 3.6Å; W371-F375 HydrophobicContact CZ3-CE2 4.05Å; W371-F375 VanDerWaalsContact O-CD2 3.28Å; W371-F375 WeakPolarHBondContact O-CD2 3.42Å; W371-F375 PolarHBondContact O-N 3.04Å; K372-F375 PolarHBondContact O-N 3.3Å; F375-M377 VanDerWaalsContact C-N 3.31Å; F375-M377 PolarHBondContact O-N 2.75Å; F375-S379 WeakPolarHBondContact O-CA 3.07Å; F375-S379 WeakPolarHBondContact O-CB 3.39Å; F375-S379 PolarHBondContact O-N 3.48Å; F375-S379 PolarHBondContact O-OG 2.99Å; F375-I386 HydrophobicContact CB-CD1 3.93Å; F375-V402 HydrophobicContact CE1-CG1 4.33Å; F375-V402 HydrophobicContact CE2-CG1 4.43Å; F375-V402 HydrophobicContact CZ-CG1 4.25Å; F375-I404 HydrophobicContact CD2-CD1 4.17Å; F375-I436 HydrophobicContact CZ-CD1 4.47Å
376	K	92.1	Very high	89.3	Confident	71 Å²	71	47.5 Å²	47.5	31%	0.309	25%	0.253	S	S	.	.	H	α-helix	trans	-60.1	-40.2	176.6	-72.3	178.8	175.8	-168.6	0	113.2	K308 K372 S373 D383 I386	K308-K376 PolarHBondContact NZ-O 3.28Å; K372-K376 VanDerWaalsContact CE-CE 3.41Å; K372-K376 HydrophobicContact CG-CD 4.46Å; K372-K376 WeakPolarHBondContact O-CG 3.38Å; K372-K376 PolarHBondContact O-N 3.25Å; K372-K376 VanDerWaalsContact O-N 3.08Å; S373-K376 PolarHBondContact O-N 3Å; K376-D383 WeakPolarHBondContact CE-OD1 3.49Å; K376-D383 IonicContact NZ-OD1 2.72Å; K376-D383 PolarHBondContact NZ-OD1 2.9Å; K376-D383 IonicContact NZ-OD2 3.28Å; K376-D383 PolarHBondContact NZ-OD2 2.94Å; K376-I386 HydrophobicContact CG-CD1 3.85Å
377	M	90.9	Very high	89.7	Confident	113 Å²	113	45.3 Å²	45.3	56%	0.557	24%	0.24	S	C	*	.	H	α-helix	trans	-69.9	-47.4	-175.8	-174.9	171.6	-178.9	0	0	111.8	K308 S373 Q374 F375	K308-M377 WeakPolarHBondContact CD-O 3.47Å; S373-M377 WeakPolarHBondContact O-CB 3.36Å; S373-M377 PolarHBondContact O-N 3.17Å; Q374-M377 PolarHBondContact O-N 3.33Å; F375-M377 VanDerWaalsContact C-N 3.31Å; F375-M377 PolarHBondContact O-N 2.75Å
378	W	92.8	Very high	90	Very high	59 Å²	59	47 Å²	47	22%	0.223	24%	0.243	C	C	.	.	H	α-helix	trans	-99.9	-23.4	-169.2	-62.2	114.1	0	0	0	115	L307 K308 A311 L345 V348 Q374	L307-W378 HydrophobicContact CD1-CB 4.42Å; K308-W378 WeakPolarHBondContact CB-O 3.41Å; K308-W378 PolarHBondContact N-O 3.01Å; A311-W378 HydrophobicContact CB-CB 4.48Å; A311-W378 HydrophobicContact CB-CD2 4.26Å; A311-W378 HydrophobicContact CB-CE3 3.35Å; A311-W378 HydrophobicContact CB-CZ3 3.9Å; L345-W378 HydrophobicContact CD1-CB 4.04Å; L345-W378 HydrophobicContact CD1-CD2 3.85Å; L345-W378 HydrophobicContact CD1-CE3 4.38Å; L345-W378 HydrophobicContact CD1-CG 3.71Å; V348-W378 HydrophobicContact CG1-CB 4.18Å; Q374-W378 VanDerWaalsContact O-CD1 3.32Å; Q374-W378 PolarHBondContact O-N 3.19Å; Q374-W378 VanDerWaalsContact OE1-CD1 3.27Å
379	S	93.7	Very high	89.8	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-105	165.1	177.1	76	0	0	0	0	112.2	D306 K308 F375 I381	D306-S379 CarbonylContact O-C 3.57Å; D306-S379 WeakPolarHBondContact O-CA 3.38Å; K308-S379 WeakPolarHBondContact CD-O 2.98Å; K308-S379 WeakPolarHBondContact CE-O 3.42Å; K308-S379 PolarHBondContact NZ-O 2.71Å; F375-S379 WeakPolarHBondContact O-CA 3.07Å; F375-S379 WeakPolarHBondContact O-CB 3.39Å; F375-S379 PolarHBondContact O-N 3.48Å; F375-S379 PolarHBondContact O-OG 2.99Å; S379-I381 VanDerWaalsContact C-N 3.3Å; S379-I381 WeakPolarHBondContact OG-CG2 3.3Å
380	T	94.1	Very high	89.6	Confident	67 Å²	67	43.9 Å²	43.9	41%	0.411	23%	0.229	S	C	.	.			trans	-84.7	2.4	176.7	56.4	0	0	0	0	114	D306 K308	D306-T380 HydrophobicContact CB-CG2 4.41Å; D306-T380 PolarHBondContact N-OG1 3.48Å; D306-T380 PolarHBondContact O-N 3.29Å; D306-T380 PolarHBondContact O-OG1 3.01Å; K308-T380 HydrophobicContact CG-CG2 3.88Å
381	I	91	Very high	88.9	Confident	11 Å²	11	44.1 Å²	44.1	6%	0.056	24%	0.239	C	C	.	.			trans	-65.9	142	-175.6	-160.5	173.5	0	0	0	112.5	I305 S379 Q385 I386 V402	I305-I381 HydrophobicContact CD1-CD1 4.39Å; I305-I381 HydrophobicContact CG1-CB 4.48Å; S379-I381 VanDerWaalsContact C-N 3.3Å; S379-I381 WeakPolarHBondContact OG-CG2 3.3Å; I381-Q385 HydrophobicContact CD1-CB 4.05Å; I381-Q385 HydrophobicContact CG1-CB 3.93Å; I381-I386 HydrophobicContact CD1-CG1 4.07Å; I381-I386 HydrophobicContact CG1-CG1 4.46Å; I381-I386 HydrophobicContact CG2-CD1 3.55Å; I381-I386 HydrophobicContact CG2-CG1 3.83Å; I381-V402 HydrophobicContact CD1-CB 4.14Å; I381-V402 HydrophobicContact CD1-CG2 3.52Å
382	D	88.9	Confident	87.9	Confident	101 Å²	101	50.7 Å²	50.7	54%	0.54	28%	0.275	S	S	.	.			trans	-75.2	148.8	175	-70.3	-47.2	0	0	0	112.4	S384 Q385	D382-S384 PolarHBondContact O-N 2.86Å; D382-Q385 HydrophobicContact CB-CG 4.48Å; D382-Q385 PolarHBondContact O-N 3.09Å; D382-Q385 VanDerWaalsContact O-N 3.08Å
383	D	87.9	Confident	86.9	Confident	80 Å²	80	51.5 Å²	51.5	43%	0.428	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-62.1	-29.3	178.7	-168.8	19.6	0	0	0	113	K372 K376 Q385 I386	K372-D383 WeakPolarHBondContact CE-OD1 3.42Å; K372-D383 IonicContact NZ-OD1 3.89Å; K372-D383 PolarHBondContact NZ-OD1 3.25Å; K376-D383 WeakPolarHBondContact CE-OD1 3.49Å; K376-D383 IonicContact NZ-OD1 2.72Å; K376-D383 PolarHBondContact NZ-OD1 2.9Å; K376-D383 IonicContact NZ-OD2 3.28Å; K376-D383 PolarHBondContact NZ-OD2 2.94Å; D383-Q385 PolarHBondContact O-N 3.21Å; D383-I386 PolarHBondContact O-N 3.38Å
384	S	87.1	Confident	86.1	Confident	98 Å²	98	52.7 Å²	52.7	69%	0.685	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-67.8	-21.9	177.1	55.2	0	0	0	0	113.4	D382	D382-S384 PolarHBondContact O-N 2.86Å
385	Q	88.7	Confident	85.5	Confident	52 Å²	52	52.5 Å²	52.5	24%	0.243	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-92.5	-12.4	-179.9	-66	-174.1	-0.9	0	0	113.1	I381 D382 D383 S401 V402	I381-Q385 HydrophobicContact CD1-CB 4.05Å; I381-Q385 HydrophobicContact CG1-CB 3.93Å; D382-Q385 HydrophobicContact CB-CG 4.48Å; D382-Q385 PolarHBondContact O-N 3.09Å; D382-Q385 VanDerWaalsContact O-N 3.08Å; D383-Q385 PolarHBondContact O-N 3.21Å; Q385-S401 PolarHBondContact O-N 3.02Å; Q385-S401 PolarHBondContact OE1-OG 2.88Å; Q385-V402 PolarHBondContact O-N 2.98Å
386	I	90.3	Very high	84.5	Confident	3 Å²	3	60.7 Å²	60.7	2%	0.015	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	113.8	175.3	-57.6	166.4	0	0	0	109.7	K372 F375 K376 I381 D383 V402 I404	K372-I386 HydrophobicContact CB-CG2 4.46Å; K372-I386 HydrophobicContact CD-CG2 4.28Å; K372-I386 HydrophobicContact CG-CG2 4.02Å; F375-I386 HydrophobicContact CB-CD1 3.93Å; K376-I386 HydrophobicContact CG-CD1 3.85Å; I381-I386 HydrophobicContact CD1-CG1 4.07Å; I381-I386 HydrophobicContact CG1-CG1 4.46Å; I381-I386 HydrophobicContact CG2-CD1 3.55Å; I381-I386 HydrophobicContact CG2-CG1 3.83Å; D383-I386 PolarHBondContact O-N 3.38Å; I386-V402 WeakPolarHBondContact CA-O 2.82Å; I386-I404 HydrophobicContact CG2-CD1 3.7Å; I386-I404 HydrophobicContact CG2-CG1 4.23Å
387	C	88.6	Confident	83.3	Confident	4 Å²	4	58.6 Å²	58.6	3%	0.027	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	128.8	-177.7	-60.7	0	0	0	0	110.9	F389 D395 C400 V402 I404	C387-F389 HydrophobicContact CB-CE2 3.73Å; C387-F389 HydrophobicContact CB-CZ 3.68Å; C387-D395 HydrophobicContact CB-CB 4.46Å; C387-C400 HydrophobicContact CB-CB 3.81Å; C387-C400 WeakPolarHBondContact CB-SG 3.36Å; C387-C400 WeakPolarHBondContact SG-CB 3.41Å; C387-C400 CovalentContact SG-SG 2.01Å; C387-C400 PolarHBondContact SG-SG 2.87Å; C387-V402 PolarHBondContact N-O 3.47Å; C387-I404 PolarHBondContact O-N 3.49Å
388	R	88.9	Confident	82.2	Confident	53 Å²	53	60.5 Å²	60.5	20%	0.2	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	137.5	174	-62.8	171.2	-68.7	179.6	11.4	110.9	V368 E369 K372 D395 I404	V368-R388 HydrophobicContact CG1-CB 4.08Å; V368-R388 HydrophobicContact CG1-CG 3.87Å; E369-R388 IonicContact OE1-NH1 3.42Å; E369-R388 PolarHBondContact OE1-NH1 3.04Å; E369-R388 VanDerWaalsContact OE2-CD 3.26Å; E369-R388 WeakPolarHBondContact OE2-CD 3.33Å; E369-R388 IonicContact OE2-CZ 3.33Å; E369-R388 IonicContact OE2-NE 3.67Å; E369-R388 IonicContact OE2-NH1 3.97Å; E369-R388 PolarHBondContact OE2-NH1 2.96Å; K372-R388 VanDerWaalsContact CD-CD 3.41Å; K372-R388 HydrophobicContact CD-CG 3.75Å; R388-D395 WeakPolarHBondContact CB-OD2 3.39Å; R388-D395 IonicContact CZ-OD2 3.54Å; R388-D395 PolarHBondContact N-OD2 3.02Å; R388-D395 VanDerWaalsContact N-OD2 3.1Å; R388-D395 IonicContact NE-OD2 3.86Å; R388-D395 PolarHBondContact NE-OD2 2.93Å; R388-D395 IonicContact NH2-OD1 3.51Å; R388-D395 IonicContact NH2-OD2 2.71Å; R388-D395 PolarHBondContact O-N 3.27Å; R388-I404 WeakPolarHBondContact CA-O 3.41Å
389	F	83.9	Confident	81	Confident	5 Å²	5	60.6 Å²	60.6	2%	0.022	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	90.3	177.8	-58.3	-65.6	0	0	0	109.5	C387 D395 P397 A403 I404 S405 V423 W426 M427	C387-F389 HydrophobicContact CB-CE2 3.73Å; C387-F389 HydrophobicContact CB-CZ 3.68Å; F389-D395 VanDerWaalsContact CE1-O 3.3Å; F389-D395 WeakPolarHBondContact CE1-O 3.14Å; F389-P397 HydrophobicContact CE1-CB 4.37Å; F389-P397 HydrophobicContact CZ-CB 4.06Å; F389-A403 HydrophobicContact CD2-CB 4.07Å; F389-A403 HydrophobicContact CE2-CB 3.68Å; F389-I404 PolarHBondContact N-O 3.25Å; F389-S405 WeakPolarHBondContact O-CA 3.44Å; F389-S405 PolarHBondContact O-OG 3.46Å; F389-V423 HydrophobicContact CD1-CG1 3.5Å; F389-V423 VanDerWaalsContact CD1-CG1 3.5Å; F389-V423 HydrophobicContact CD1-CG2 4.49Å; F389-V423 HydrophobicContact CE1-CB 4.48Å; F389-V423 HydrophobicContact CE1-CG1 3.44Å; F389-V423 VanDerWaalsContact CE1-CG1 3.44Å; F389-V423 HydrophobicContact CE1-CG2 4.14Å; F389-V423 HydrophobicContact CG-CG1 4.13Å; F389-V423 HydrophobicContact CZ-CG1 4.04Å; F389-W426 HydrophobicContact CE2-CZ3 4.27Å; F389-W426 HydrophobicContact CZ-CZ3 4.26Å; F389-M427 HydrophobicContact CB-CE 3.92Å; F389-M427 HydrophobicContact CD1-CE 4.23Å; F389-M427 HydrophobicContact CD2-CE 3.05Å; F389-M427 HydrophobicContact CE2-CE 3.47Å; F389-M427 VanDerWaalsContact CE2-CE 3.47Å; F389-M427 HydrophobicContact CG-CE 3.46Å; F389-M427 VanDerWaalsContact CG-CE 3.46Å; F389-M427 HydrophobicContact CZ-CE 4.2Å
390	T	81.1	Confident	80.2	Confident	9 Å²	9	60.8 Å²	60.8	6%	0.055	34%	0.343	C	S	.	.	S	Bend	trans	-123.1	177.3	173	67	0	0	0	0	109.9	V368 D392 A393 T406	V368-T390 HydrophobicContact CB-CG2 4.04Å; V368-T390 HydrophobicContact CG1-CG2 3.88Å; V368-T390 HydrophobicContact CG2-CG2 3.99Å; T390-D392 PolarHBondContact O-N 3.39Å; T390-D392 PolarHBondContact OG1-N 2.74Å; T390-A393 PolarHBondContact N-O 3.1Å; T390-A393 PolarHBondContact OG1-N 3.08Å; T390-A393 PolarHBondContact OG1-O 3.23Å; T390-T406 HydrophobicContact CG2-CG2 4.33Å
391	S	71.8	Confident	79.7	Confident	82 Å²	82	58.3 Å²	58.3	57%	0.573	33%	0.328	S	S	*	.	S	Bend	trans	-58.5	-37.3	172.3	51.3	0	0	0	0	112
392	D	70.2	Confident	79.8	Confident	140 Å²	140	57.9 Å²	57.9	75%	0.749	33%	0.326	S	S	*	.	S	Bend	trans	-100.6	-30.1	-166.2	-51.3	-16.3	0	0	0	112.3	T390	T390-D392 PolarHBondContact O-N 3.39Å; T390-D392 PolarHBondContact OG1-N 2.74Å
393	A	70.6	Confident	79.9	Confident	27 Å²	27	53 Å²	53	22%	0.223	30%	0.3	C	S	.	.			trans	-119.9	118	178.8	0	0	0	0	0	110.2	T390	T390-A393 PolarHBondContact N-O 3.1Å; T390-A393 PolarHBondContact OG1-N 3.08Å; T390-A393 PolarHBondContact OG1-O 3.23Å
394	K	71.7	Confident	80.1	Confident	82 Å²	82	49.3 Å²	49.3	36%	0.357	28%	0.28	S	S	.	.	B	Isolated β-bridge	trans	-122.8	85.7	179.1	-62	179.2	-170.4	169.2	0	108.7	S417	K394-S417 PolarHBondContact NZ-OG 3.3Å
395	D	78.6	Confident	80.3	Confident	46 Å²	46	44.7 Å²	44.7	25%	0.246	25%	0.248	C	C	.	.			trans	-70.2	146.5	173.8	-61.4	-30.3	0	0	0	108.6	K372 C387 R388 F389	K372-D395 IonicContact NZ-OD2 2.72Å; C387-D395 HydrophobicContact CB-CB 4.46Å; R388-D395 WeakPolarHBondContact CB-OD2 3.39Å; R388-D395 IonicContact CZ-OD2 3.54Å; R388-D395 PolarHBondContact N-OD2 3.02Å; R388-D395 VanDerWaalsContact N-OD2 3.1Å; R388-D395 IonicContact NE-OD2 3.86Å; R388-D395 PolarHBondContact NE-OD2 2.93Å; R388-D395 IonicContact NH2-OD1 3.51Å; R388-D395 IonicContact NH2-OD2 2.71Å; R388-D395 PolarHBondContact O-N 3.27Å; F389-D395 VanDerWaalsContact CE1-O 3.3Å; F389-D395 WeakPolarHBondContact CE1-O 3.14Å
396	K	71.9	Confident	80.3	Confident	172 Å²	172	42.6 Å²	42.6	75%	0.748	24%	0.238	S	C	*	.			trans	-70.9	134.2	-176.1	-69.8	-179.9	-177.9	176	0	110.4	I398 C400	K396-I398 PolarHBondContact O-N 3.43Å; K396-I398 VanDerWaalsContact O-N 3.11Å; K396-C400 PolarHBondContact O-SG 2.73Å; K396-C400 VanDerWaalsContact O-SG 3.4Å
397	P	67	Low	80	Confident	27 Å²	27	42.7 Å²	42.7	18%	0.175	24%	0.239	C	C	.	.			trans	-76.5	6.6	-173.7	31.4	-37.6	0	0	0	115.3	F389 G399 C400 V423 W426	F389-P397 HydrophobicContact CE1-CB 4.37Å; F389-P397 HydrophobicContact CZ-CB 4.06Å; P397-G399 PolarHBondContact O-N 3.13Å; P397-C400 WeakPolarHBondContact CA-SG 3.07Å; P397-V423 HydrophobicContact CG-CG2 4.02Å; P397-W426 HydrophobicContact CB-CD2 3.77Å; P397-W426 HydrophobicContact CB-CE3 3.78Å; P397-W426 HydrophobicContact CB-CG 4.23Å; P397-W426 HydrophobicContact CB-CH2 4.49Å; P397-W426 HydrophobicContact CB-CZ2 4.48Å; P397-W426 HydrophobicContact CB-CZ3 4.16Å
398	I	67.7	Low	79.7	Confident	152 Å²	152	45.4 Å²	45.4	78%	0.779	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	111.9	-170.3	-55.2	169.8	0	0	0	109.4	K396	K396-I398 PolarHBondContact O-N 3.43Å; K396-I398 VanDerWaalsContact O-N 3.11Å
399	G	67.5	Low	79.3	Confident	62 Å²	62	44.5 Å²	44.5	64%	0.639	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.9	18	177.3	0	0	0	0	0	114.9	P397	P397-G399 PolarHBondContact O-N 3.13Å
400	C	77.2	Confident	79.2	Confident	3 Å²	3	44.3 Å²	44.3	2%	0.02	26%	0.255	C	S	.	.			trans	-73.3	130.6	178.3	-54.6	0	0	0	0	111.8	C387 K396 P397 W426	C387-C400 HydrophobicContact CB-CB 3.81Å; C387-C400 WeakPolarHBondContact CB-SG 3.36Å; C387-C400 WeakPolarHBondContact SG-CB 3.41Å; C387-C400 CovalentContact SG-SG 2.01Å; C387-C400 PolarHBondContact SG-SG 2.87Å; K396-C400 PolarHBondContact O-SG 2.73Å; K396-C400 VanDerWaalsContact O-SG 3.4Å; P397-C400 WeakPolarHBondContact CA-SG 3.07Å; C400-W426 HydrophobicContact CB-CH2 4.07Å; C400-W426 HydrophobicContact CB-CZ2 4.42Å
401	S	84.3	Confident	78.8	Confident	15 Å²	15	44 Å²	44	11%	0.105	25%	0.254	C	S	.	.	S	Bend	trans	-92.2	-42.4	175.4	-67.5	0	0	0	0	111.4	R357 C358 Q385	R357-S401 WeakPolarHBondContact CA-O 3.23Å; C358-S401 PolarHBondContact N-O 3.36Å; Q385-S401 PolarHBondContact O-N 3.02Å; Q385-S401 PolarHBondContact OE1-OG 2.88Å
402	V	91.2	Very high	79	Confident	2 Å²	2	44.8 Å²	44.8	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	120.5	-179.2	-179.4	0	0	0	0	108.7	I305 C358 F375 I381 Q385 I386 C387 I404	I305-V402 HydrophobicContact CD1-CG2 4.43Å; C358-V402 HydrophobicContact CB-CG1 4.49Å; C358-V402 HydrophobicContact CB-CG2 4.33Å; C358-V402 WeakPolarHBondContact O-CA 3.46Å; F375-V402 HydrophobicContact CE1-CG1 4.33Å; F375-V402 HydrophobicContact CE2-CG1 4.43Å; F375-V402 HydrophobicContact CZ-CG1 4.25Å; I381-V402 HydrophobicContact CD1-CB 4.14Å; I381-V402 HydrophobicContact CD1-CG2 3.52Å; Q385-V402 PolarHBondContact O-N 2.98Å; I386-V402 WeakPolarHBondContact CA-O 2.82Å; C387-V402 PolarHBondContact N-O 3.47Å; V402-I404 HydrophobicContact CG1-CG1 4.27Å
403	A	91.6	Very high	78.9	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	134.1	175.2	0	0	0	0	0	109.7	C358 L359 V360 F389 W432	C358-A403 PolarHBondContact O-N 3.27Å; L359-A403 CarbonylContact C-O 3.51Å; L359-A403 WeakPolarHBondContact CA-O 3.13Å; L359-A403 HydrophobicContact CD1-CB 3.71Å; V360-A403 PolarHBondContact N-O 2.92Å; F389-A403 HydrophobicContact CD2-CB 4.07Å; F389-A403 HydrophobicContact CE2-CB 3.68Å; A403-W432 HydrophobicContact CB-CH2 3.44Å; A403-W432 VanDerWaalsContact CB-CH2 3.44Å; A403-W432 HydrophobicContact CB-CZ2 4.33Å; A403-W432 HydrophobicContact CB-CZ3 3.89Å
404	I	92.7	Very high	79	Confident	1 Å²	1	46.2 Å²	46.2	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.7	177.2	-47.3	177.7	0	0	0	108	V360 V368 W371 K372 F375 I386 C387 R388 F389 V402	V360-I404 HydrophobicContact CB-CB 4.47Å; V360-I404 HydrophobicContact CB-CG1 4.23Å; V360-I404 HydrophobicContact CB-CG2 4.11Å; V360-I404 HydrophobicContact CG1-CG2 4.28Å; V360-I404 CarbonylContact O-C 3.53Å; V360-I404 WeakPolarHBondContact O-CA 3.24Å; V368-I404 HydrophobicContact CB-CG2 4.03Å; V368-I404 HydrophobicContact CG1-CB 4.09Å; V368-I404 HydrophobicContact CG1-CG2 3.67Å; V368-I404 HydrophobicContact CG2-CG2 4.06Å; W371-I404 HydrophobicContact CB-CD1 4.14Å; W371-I404 HydrophobicContact CB-CG2 4.06Å; K372-I404 HydrophobicContact CB-CD1 3.96Å; F375-I404 HydrophobicContact CD2-CD1 4.17Å; I386-I404 HydrophobicContact CG2-CD1 3.7Å; I386-I404 HydrophobicContact CG2-CG1 4.23Å; C387-I404 PolarHBondContact O-N 3.49Å; R388-I404 WeakPolarHBondContact CA-O 3.41Å; F389-I404 PolarHBondContact N-O 3.25Å; V402-I404 HydrophobicContact CG1-CG1 4.27Å
405	S	90.3	Very high	78.8	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.007	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	174.8	-174.1	-168.3	0	0	0	0	111.8	V360 L361 G362 F389 L410	V360-S405 PolarHBondContact O-N 3.12Å; L361-S405 WeakPolarHBondContact CA-O 3.36Å; G362-S405 PolarHBondContact N-O 3.17Å; F389-S405 WeakPolarHBondContact O-CA 3.44Å; F389-S405 PolarHBondContact O-OG 3.46Å; S405-L410 WeakPolarHBondContact OG-CD1 3.25Å
406	T	88.4	Confident	78.5	Confident	8 Å²	8	52.9 Å²	52.9	5%	0.049	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	150.9	174	65.2	0	0	0	0	112.6	G362 V368 T390 S408 M409 L410	G362-T406 VanDerWaalsContact O-CA 3.24Å; G362-T406 WeakPolarHBondContact O-CA 3.25Å; V368-T406 HydrophobicContact CG2-CG2 3.67Å; T390-T406 HydrophobicContact CG2-CG2 4.33Å; T406-S408 VanDerWaalsContact C-N 3.31Å; T406-S408 PolarHBondContact O-N 3.24Å; T406-S408 PolarHBondContact OG1-OG 2.77Å; T406-M409 PolarHBondContact O-N 3.39Å; T406-M409 WeakPolarHBondContact OG1-CB 3.07Å; T406-M409 PolarHBondContact OG1-N 2.83Å; T406-L410 WeakPolarHBondContact O-CD1 3.43Å; T406-L410 PolarHBondContact O-N 3.05Å
407	Y	85.6	Confident	78.8	Confident	5 Å²	5	47.3 Å²	47.3	2%	0.02	27%	0.268	C	S	.	.	H	α-helix	trans	-58.7	-41.5	176.2	-64.4	-69.3	0	0	0	112.9	L361 G362 N363 M409 L410 G411 L437 D438 I443	L361-Y407 HydrophobicContact CB-CD1 3.94Å; L361-Y407 HydrophobicContact CB-CE1 3.42Å; L361-Y407 VanDerWaalsContact CB-CE1 3.42Å; L361-Y407 HydrophobicContact CB-CE2 4.35Å; L361-Y407 HydrophobicContact CD1-CD1 4.24Å; L361-Y407 HydrophobicContact CD1-CE1 3.97Å; L361-Y407 HydrophobicContact CG-CE1 4.32Å; L361-Y407 PolarHBondContact O-OH 2.89Å; G362-Y407 WeakPolarHBondContact O-CD2 3.39Å; G362-Y407 PolarHBondContact O-N 3.11Å; G362-Y407 VanDerWaalsContact O-N 3.1Å; N363-Y407 VanDerWaalsContact OD1-CD2 3.29Å; N363-Y407 WeakPolarHBondContact OD1-CD2 3.46Å; N363-Y407 VanDerWaalsContact OD1-CE2 3.25Å; N363-Y407 WeakPolarHBondContact OD1-CE2 3.36Å; Y407-M409 VanDerWaalsContact C-N 3.29Å; Y407-M409 PolarHBondContact O-N 2.83Å; Y407-L410 PolarHBondContact O-N 2.79Å; Y407-G411 PolarHBondContact O-N 3.03Å; Y407-L437 HydrophobicContact CE1-CD2 3.74Å; Y407-L437 VanDerWaalsContact OH-C 3.28Å; Y407-L437 WeakPolarHBondContact OH-CA 3.16Å; Y407-L437 WeakPolarHBondContact OH-CB 2.9Å; Y407-D438 WeakPolarHBondContact CE2-O 3.42Å; Y407-D438 PolarHBondContact OH-N 3.1Å; Y407-D438 VanDerWaalsContact OH-N 3.09Å; Y407-D438 PolarHBondContact OH-O 3.1Å; Y407-I443 HydrophobicContact CD1-CD1 3.71Å; Y407-I443 HydrophobicContact CD2-CD1 3.69Å; Y407-I443 HydrophobicContact CD2-CG1 4.01Å; Y407-I443 HydrophobicContact CE1-CD1 3.37Å; Y407-I443 HydrophobicContact CE2-CD1 3.37Å; Y407-I443 HydrophobicContact CE2-CG1 4.04Å; Y407-I443 HydrophobicContact CG-CD1 3.85Å; Y407-I443 HydrophobicContact CG-CG1 4.29Å
408	S	81.5	Confident	79.4	Confident	61 Å²	61	54.7 Å²	54.7	43%	0.427	29%	0.292	S	S	.	.	H	α-helix	trans	-62.4	-36.4	179.7	53.9	0	0	0	0	112.3	T406 H412	T406-S408 VanDerWaalsContact C-N 3.31Å; T406-S408 PolarHBondContact O-N 3.24Å; T406-S408 PolarHBondContact OG1-OG 2.77Å; S408-H412 WeakPolarHBondContact O-CB 3.27Å; S408-H412 PolarHBondContact O-N 3.05Å; S408-H412 VanDerWaalsContact O-N 3.14Å
409	M	81.4	Confident	79.8	Confident	35 Å²	35	53.5 Å²	53.5	17%	0.172	28%	0.283	C	S	.	.	H	α-helix	trans	-66.9	-44	179	-172.2	61.7	169.1	0	0	111.3	T406 Y407 R416 A420	T406-M409 PolarHBondContact O-N 3.39Å; T406-M409 WeakPolarHBondContact OG1-CB 3.07Å; T406-M409 PolarHBondContact OG1-N 2.83Å; Y407-M409 VanDerWaalsContact C-N 3.29Å; Y407-M409 PolarHBondContact O-N 2.83Å; M409-R416 PolarHBondContact O-NE 2.95Å; M409-R416 PolarHBondContact O-NH2 2.87Å; M409-A420 HydrophobicContact CE-CB 3.68Å
410	L	80	Confident	80.2	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-72.8	-39.3	178.5	-85.6	74.1	0	0	0	112.4	L359 L361 S405 T406 Y407 H412 R416 M424 M427 V451 V455	L359-L410 HydrophobicContact CD2-CD2 4.4Å; L361-L410 HydrophobicContact CD1-CD2 4.25Å; L361-L410 HydrophobicContact CD2-CD1 3.85Å; L361-L410 HydrophobicContact CD2-CD2 3.75Å; L361-L410 HydrophobicContact CD2-CG 4.42Å; S405-L410 WeakPolarHBondContact OG-CD1 3.25Å; T406-L410 WeakPolarHBondContact O-CD1 3.43Å; T406-L410 PolarHBondContact O-N 3.05Å; Y407-L410 PolarHBondContact O-N 2.79Å; L410-H412 PolarHBondContact O-N 3.33Å; L410-R416 PolarHBondContact O-NH2 3.03Å; L410-M424 HydrophobicContact CG-CE 4.25Å; L410-M424 HydrophobicContact CG-SD 4.28Å; L410-M427 HydrophobicContact CD1-SD 4.41Å; L410-V451 HydrophobicContact CB-CG2 4.06Å; L410-V451 HydrophobicContact CD2-CG1 3.99Å; L410-V455 HydrophobicContact CD2-CG2 3.55Å
411	G	73.1	Confident	80.5	Confident	3 Å²	3	55.1 Å²	55.1	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-79.5	-10	-176.7	0	0	0	0	0	115.4	Y407 T413 R450	Y407-G411 PolarHBondContact O-N 3.03Å; G411-T413 PolarHBondContact O-N 2.78Å; G411-R450 PolarHBondContact O-NH1 2.74Å; G411-R450 PolarHBondContact O-NH2 3.34Å
412	H	76.7	Confident	80.3	Confident	99 Å²	99	59.9 Å²	59.9	46%	0.458	29%	0.293	S	S	.	.			trans	-65.7	130.1	-177.9	-141.2	-99.2	0	0	0	112.6	S408 L410 T414 R416	S408-H412 WeakPolarHBondContact O-CB 3.27Å; S408-H412 PolarHBondContact O-N 3.05Å; S408-H412 VanDerWaalsContact O-N 3.14Å; L410-H412 PolarHBondContact O-N 3.33Å; H412-T414 PolarHBondContact CE1-OG1 3.1Å; H412-T414 PolarHBondContact ND1-OG1 2.84Å; H412-R416 PolarHBondContact O-NH2 2.89Å; H412-R416 VanDerWaalsContact O-NH2 3.08Å
413	T	67.1	Low	79.8	Confident	113 Å²	113	60.7 Å²	60.7	69%	0.693	30%	0.298	S	S	*	.			trans	-91	-23.9	176.8	35.7	0	0	0	0	114	G411 R450	G411-T413 PolarHBondContact O-N 2.78Å; T413-R450 VanDerWaalsContact CG2-CZ 3.45Å
414	T	74.3	Confident	79.4	Confident	83 Å²	83	60.9 Å²	60.9	51%	0.509	30%	0.299	S	S	.	.	S	Bend	trans	-73.3	162.2	-174	75.8	0	0	0	0	111.8	H412 R416	H412-T414 PolarHBondContact CE1-OG1 3.1Å; H412-T414 PolarHBondContact ND1-OG1 2.84Å; T414-R416 PolarHBondContact O-N 3.24Å
415	K	66.4	Low	78.9	Confident	209 Å²	209	66.5 Å²	66.5	91%	0.909	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-48	123.8	174	-90.3	-175.4	173.6	179.5	0	110.9
416	R	71.9	Confident	78.6	Confident	59 Å²	59	69.2 Å²	69.2	22%	0.223	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-92.3	160.6	175.9	-66.2	-177.6	174.7	125.2	-5.9	109.3	M409 L410 H412 T414 A420	M409-R416 PolarHBondContact O-NE 2.95Å; M409-R416 PolarHBondContact O-NH2 2.87Å; L410-R416 PolarHBondContact O-NH2 3.03Å; H412-R416 PolarHBondContact O-NH2 2.89Å; H412-R416 VanDerWaalsContact O-NH2 3.08Å; T414-R416 PolarHBondContact O-N 3.24Å; R416-A420 HydrophobicContact CB-CB 4.09Å
417	S	78.1	Confident	78.4	Confident	56 Å²	56	69 Å²	69	39%	0.392	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-59.3	145.7	165.6	58.9	0	0	0	0	109.7	K394 E419 A420 E421	K394-S417 PolarHBondContact NZ-OG 3.3Å; S417-E419 PolarHBondContact O-N 3.4Å; S417-E419 VanDerWaalsContact O-N 3.08Å; S417-A420 WeakPolarHBondContact O-CA 3.25Å; S417-A420 WeakPolarHBondContact O-CB 3.48Å; S417-A420 PolarHBondContact O-N 3.21Å; S417-A420 WeakPolarHBondContact OG-CB 3.29Å; S417-E421 PolarHBondContact O-N 2.86Å
418	W	79.6	Confident	78.3	Confident	181 Å²	181	74 Å²	74	69%	0.686	35%	0.353	S	S	*	.	H	α-helix	trans	-45.4	-43.1	178.7	176.8	-109.4	0	0	0	114.2	E421 K422	W418-E421 PolarHBondContact O-N 3.26Å; W418-K422 VanDerWaalsContact CZ2-CE 3.44Å; W418-K422 PolarHBondContact O-N 3.28Å; W418-K422 VanDerWaalsContact O-N 3.09Å
419	E	76.4	Confident	78.4	Confident	127 Å²	127	76.1 Å²	76.1	59%	0.593	36%	0.364	S	S	*	.	H	α-helix	trans	-64.3	-41.8	177.8	-63.8	177.1	159.8	0	0	113.1	S417 E421 K422 V423	S417-E419 PolarHBondContact O-N 3.4Å; S417-E419 VanDerWaalsContact O-N 3.08Å; E419-E421 VanDerWaalsContact C-N 3.31Å; E419-K422 PolarHBondContact O-N 3.47Å; E419-V423 WeakPolarHBondContact O-CG2 3.25Å; E419-V423 PolarHBondContact O-N 3.08Å; E419-V423 VanDerWaalsContact O-N 3.1Å
420	A	76.9	Confident	78.5	Confident	3 Å²	3	76.3 Å²	76.3	3%	0.025	36%	0.364	C	S	.	.	H	α-helix	trans	-69.9	-31.7	178.3	0	0	0	0	0	111.4	M409 R416 S417 M424	M409-A420 HydrophobicContact CE-CB 3.68Å; R416-A420 HydrophobicContact CB-CB 4.09Å; S417-A420 WeakPolarHBondContact O-CA 3.25Å; S417-A420 WeakPolarHBondContact O-CB 3.48Å; S417-A420 PolarHBondContact O-N 3.21Å; S417-A420 WeakPolarHBondContact OG-CB 3.29Å; A420-M424 WeakPolarHBondContact O-CB 3.35Å; A420-M424 WeakPolarHBondContact O-CG 3.44Å; A420-M424 PolarHBondContact O-N 3.18Å
421	E	82.2	Confident	78.7	Confident	96 Å²	96	77.3 Å²	77.3	45%	0.449	37%	0.368	S	S	.	.	H	α-helix	trans	-67.4	-44.3	174.9	-168.2	155	-151	0	0	111.7	S417 W418 E419 V423 M424 E425	S417-E421 PolarHBondContact O-N 2.86Å; W418-E421 PolarHBondContact O-N 3.26Å; E419-E421 VanDerWaalsContact C-N 3.31Å; E421-V423 PolarHBondContact O-N 3.25Å; E421-M424 PolarHBondContact O-N 3.24Å; E421-E425 PolarHBondContact O-N 3.46Å
422	K	81.5	Confident	79.4	Confident	116 Å²	116	77.1 Å²	77.1	50%	0.504	37%	0.367	S	S	.	.	H	α-helix	trans	-59.1	-43	172.7	-76.7	-168.9	170.7	-171.1	0	113.3	W418 E419 M424 E425 W426	W418-K422 VanDerWaalsContact CZ2-CE 3.44Å; W418-K422 PolarHBondContact O-N 3.28Å; W418-K422 VanDerWaalsContact O-N 3.09Å; E419-K422 PolarHBondContact O-N 3.47Å; K422-M424 VanDerWaalsContact C-N 3.35Å; K422-E425 PolarHBondContact O-N 3.37Å; K422-W426 PolarHBondContact O-N 2.89Å
423	V	80.9	Confident	80.1	Confident	19 Å²	19	72.5 Å²	72.5	12%	0.115	35%	0.346	C	S	.	.	H	α-helix	trans	-64.7	-41	176.7	170.7	0	0	0	0	111	F389 P397 E419 E421 E425 W426 M427	F389-V423 HydrophobicContact CD1-CG1 3.5Å; F389-V423 VanDerWaalsContact CD1-CG1 3.5Å; F389-V423 HydrophobicContact CD1-CG2 4.49Å; F389-V423 HydrophobicContact CE1-CB 4.48Å; F389-V423 HydrophobicContact CE1-CG1 3.44Å; F389-V423 VanDerWaalsContact CE1-CG1 3.44Å; F389-V423 HydrophobicContact CE1-CG2 4.14Å; F389-V423 HydrophobicContact CG-CG1 4.13Å; F389-V423 HydrophobicContact CZ-CG1 4.04Å; P397-V423 HydrophobicContact CG-CG2 4.02Å; E419-V423 WeakPolarHBondContact O-CG2 3.25Å; E419-V423 PolarHBondContact O-N 3.08Å; E419-V423 VanDerWaalsContact O-N 3.1Å; E421-V423 PolarHBondContact O-N 3.25Å; V423-E425 VanDerWaalsContact C-N 3.35Å; V423-W426 WeakPolarHBondContact O-CB 3.25Å; V423-W426 PolarHBondContact O-N 3.28Å; V423-M427 HydrophobicContact CG1-CE 3.94Å; V423-M427 WeakPolarHBondContact O-CG 3.12Å; V423-M427 PolarHBondContact O-N 2.99Å
424	M	81.8	Confident	81.2	Confident	4 Å²	4	67.1 Å²	67.1	2%	0.02	31%	0.313	C	S	.	.	H	α-helix	trans	-69.7	-31.8	178	-75.4	-64	-51	0	0	112.9	L410 A420 E421 K422 M427 R428 I454	L410-M424 HydrophobicContact CG-CE 4.25Å; L410-M424 HydrophobicContact CG-SD 4.28Å; A420-M424 WeakPolarHBondContact O-CB 3.35Å; A420-M424 WeakPolarHBondContact O-CG 3.44Å; A420-M424 PolarHBondContact O-N 3.18Å; E421-M424 PolarHBondContact O-N 3.24Å; K422-M424 VanDerWaalsContact C-N 3.35Å; M424-M427 HydrophobicContact SD-SD 4.28Å; M424-R428 WeakPolarHBondContact O-CB 3.41Å; M424-R428 VanDerWaalsContact O-CG 3.31Å; M424-R428 WeakPolarHBondContact O-CG 3.24Å; M424-R428 PolarHBondContact O-N 3.44Å; M424-R428 PolarHBondContact O-NE 3.44Å; M424-I454 HydrophobicContact CE-CG2 4.09Å
425	E	83.3	Confident	82.2	Confident	118 Å²	118	63.2 Å²	63.2	55%	0.551	29%	0.289	S	S	*	.	H	α-helix	trans	-63.6	-50.9	169.4	-171.8	170.4	-158.3	0	0	110	E421 K422 V423 M427 R428 T429	E421-E425 PolarHBondContact O-N 3.46Å; K422-E425 PolarHBondContact O-N 3.37Å; V423-E425 VanDerWaalsContact C-N 3.35Å; E425-M427 VanDerWaalsContact C-N 3.34Å; E425-M427 PolarHBondContact O-N 3.39Å; E425-R428 PolarHBondContact O-N 3.32Å; E425-T429 PolarHBondContact O-N 3.45Å; E425-T429 VanDerWaalsContact O-N 3.1Å; E425-T429 PolarHBondContact O-OG1 2.89Å
426	W	84.6	Confident	83.5	Confident	59 Å²	59	53.2 Å²	53.2	22%	0.223	25%	0.245	C	C	.	.	H	α-helix	trans	-55.1	-43.6	175.5	174.7	81.7	0	0	0	113.5	F389 P397 C400 K422 V423 R428 T429 Q430 W432	F389-W426 HydrophobicContact CE2-CZ3 4.27Å; F389-W426 HydrophobicContact CZ-CZ3 4.26Å; P397-W426 HydrophobicContact CB-CD2 3.77Å; P397-W426 HydrophobicContact CB-CE3 3.78Å; P397-W426 HydrophobicContact CB-CG 4.23Å; P397-W426 HydrophobicContact CB-CH2 4.49Å; P397-W426 HydrophobicContact CB-CZ2 4.48Å; P397-W426 HydrophobicContact CB-CZ3 4.16Å; C400-W426 HydrophobicContact CB-CH2 4.07Å; C400-W426 HydrophobicContact CB-CZ2 4.42Å; K422-W426 PolarHBondContact O-N 2.89Å; V423-W426 WeakPolarHBondContact O-CB 3.25Å; V423-W426 PolarHBondContact O-N 3.28Å; W426-R428 VanDerWaalsContact C-N 3.3Å; W426-R428 PolarHBondContact O-N 2.92Å; W426-T429 PolarHBondContact O-N 3.42Å; W426-Q430 WeakPolarHBondContact O-CB 3.41Å; W426-Q430 PolarHBondContact O-N 3.18Å; W426-W432 AromaticContact CH2-CH2 3.74Å; W426-W432 HydrophobicContact CH2-CH2 3.74Å; W426-W432 HydrophobicContact CH2-CZ2 4.07Å; W426-W432 AromaticContact CZ3-CH2 3.95Å; W426-W432 HydrophobicContact CZ3-CH2 3.95Å; W426-W432 AromaticContact CZ3-CZ2 3.95Å; W426-W432 HydrophobicContact CZ3-CZ2 3.95Å
427	M	83.5	Confident	84.4	Confident	3 Å²	3	50.4 Å²	50.4	2%	0.015	24%	0.235	C	C	.	.	H	α-helix	trans	-64.3	-33.3	177.6	-76.6	-173.6	-176.3	0	0	113.4	F389 L410 V423 M424 E425 W432	F389-M427 HydrophobicContact CB-CE 3.92Å; F389-M427 HydrophobicContact CD1-CE 4.23Å; F389-M427 HydrophobicContact CD2-CE 3.05Å; F389-M427 HydrophobicContact CE2-CE 3.47Å; F389-M427 VanDerWaalsContact CE2-CE 3.47Å; F389-M427 HydrophobicContact CG-CE 3.46Å; F389-M427 VanDerWaalsContact CG-CE 3.46Å; F389-M427 HydrophobicContact CZ-CE 4.2Å; L410-M427 HydrophobicContact CD1-SD 4.41Å; V423-M427 HydrophobicContact CG1-CE 3.94Å; V423-M427 WeakPolarHBondContact O-CG 3.12Å; V423-M427 PolarHBondContact O-N 2.99Å; M424-M427 HydrophobicContact SD-SD 4.28Å; E425-M427 VanDerWaalsContact C-N 3.34Å; E425-M427 PolarHBondContact O-N 3.39Å; M427-W432 HydrophobicContact CG-CZ2 4.37Å; M427-W432 PolarHBondContact O-NE1 3.36Å
428	R	83.4	Confident	85	Confident	110 Å²	110	48.4 Å²	48.4	42%	0.415	22%	0.219	S	C	.	.	H	α-helix	trans	-76.5	-33.9	-178.8	-81.1	-178.1	-77.1	169.9	-1.4	112.5	M424 E425 W426 Q430 I454	M424-R428 WeakPolarHBondContact O-CB 3.41Å; M424-R428 VanDerWaalsContact O-CG 3.31Å; M424-R428 WeakPolarHBondContact O-CG 3.24Å; M424-R428 PolarHBondContact O-N 3.44Å; M424-R428 PolarHBondContact O-NE 3.44Å; E425-R428 PolarHBondContact O-N 3.32Å; W426-R428 VanDerWaalsContact C-N 3.3Å; W426-R428 PolarHBondContact O-N 2.92Å; R428-Q430 VanDerWaalsContact C-N 3.28Å; R428-I454 HydrophobicContact CG-CG2 3.71Å
429	T	82.7	Confident	85.2	Confident	106 Å²	106	40 Å²	40	65%	0.65	19%	0.188	S	C	*	.	H	α-helix	trans	-77.8	-17.7	-179.9	-33.3	0	0	0	0	112.5	E425 W426	E425-T429 PolarHBondContact O-N 3.45Å; E425-T429 VanDerWaalsContact O-N 3.1Å; E425-T429 PolarHBondContact O-OG1 2.89Å; W426-T429 PolarHBondContact O-N 3.42Å
430	Q	83.3	Confident	85.3	Confident	38 Å²	38	34.1 Å²	34.1	18%	0.178	16%	0.161	C	C	.	.	S	Bend	trans	-93.5	135.1	-173.2	-174.2	58.3	47.2	0	0	112.4	R357 W426 R428 W432	R357-Q430 VanDerWaalsContact NH1-NE2 3.18Å; W426-Q430 WeakPolarHBondContact O-CB 3.41Å; W426-Q430 PolarHBondContact O-N 3.18Å; R428-Q430 VanDerWaalsContact C-N 3.28Å; Q430-W432 HydrophobicContact CG-CZ2 4.47Å; Q430-W432 VanDerWaalsContact O-CD1 3.25Å; Q430-W432 PolarHBondContact O-NE1 2.77Å
431	E	84.5	Confident	85.2	Confident	21 Å²	21	35.1 Å²	35.1	10%	0.098	17%	0.165	C	C	.	.			trans	-77.2	130.3	166.2	-68.6	-179.6	-174	0	0	111	N168 N300 H458	N168-E431 WeakPolarHBondContact CA-OE1 3.47Å; N168-E431 WeakPolarHBondContact CB-OE1 3.5Å; N168-E431 PolarHBondContact N-OE1 3.4Å; N300-E431 PolarHBondContact ND2-OE2 3.37Å; N300-E431 PolarHBondContact OD1-OE2 2.82Å; E431-H458 IonicContact OE2-NE2 3.19Å; E431-H458 PolarHBondContact OE2-NE2 3.33Å
432	W	89.4	Confident	84.7	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	123.6	176.1	-61.3	90.4	0	0	0	109.8	R357 C358 L359 A403 W426 M427 Q430 V455 Q456 A457 H458	R357-W432 HydrophobicContact CB-CE3 3.9Å; R357-W432 HydrophobicContact CB-CZ3 4.12Å; C358-W432 WeakPolarHBondContact O-CZ3 3.37Å; L359-W432 HydrophobicContact CB-CD2 3.77Å; L359-W432 HydrophobicContact CB-CE3 3.69Å; L359-W432 HydrophobicContact CB-CG 4.23Å; L359-W432 HydrophobicContact CB-CZ3 4.12Å; A403-W432 HydrophobicContact CB-CH2 3.44Å; A403-W432 VanDerWaalsContact CB-CH2 3.44Å; A403-W432 HydrophobicContact CB-CZ2 4.33Å; A403-W432 HydrophobicContact CB-CZ3 3.89Å; W426-W432 AromaticContact CH2-CH2 3.74Å; W426-W432 HydrophobicContact CH2-CH2 3.74Å; W426-W432 HydrophobicContact CH2-CZ2 4.07Å; W426-W432 AromaticContact CZ3-CH2 3.95Å; W426-W432 HydrophobicContact CZ3-CH2 3.95Å; W426-W432 AromaticContact CZ3-CZ2 3.95Å; W426-W432 HydrophobicContact CZ3-CZ2 3.95Å; M427-W432 HydrophobicContact CG-CZ2 4.37Å; M427-W432 PolarHBondContact O-NE1 3.36Å; Q430-W432 HydrophobicContact CG-CZ2 4.47Å; Q430-W432 VanDerWaalsContact O-CD1 3.25Å; Q430-W432 PolarHBondContact O-NE1 2.77Å; W432-V455 HydrophobicContact CG-CG1 4.25Å; W432-Q456 PolarHBondContact N-O 2.94Å; W432-A457 HydrophobicContact CB-CB 4.06Å; W432-A457 CarbonylContact O-C 3.58Å; W432-A457 WeakPolarHBondContact O-CA 3.46Å; W432-H458 PolarHBondContact O-CD2 2.88Å; W432-H458 PolarHBondContact O-N 3.36Å
433	G	89.4	Confident	84.1	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	-37.1	177.1	0	0	0	0	0	112.1	R357 C459	R357-G433 PolarHBondContact O-N 2.81Å; G433-C459 WeakPolarHBondContact O-CB 3.33Å; G433-C459 PolarHBondContact O-N 3.13Å; G433-C459 VanDerWaalsContact O-N 3.13Å
434	L	92.1	Very high	83.4	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.005	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	128.8	178.8	-175.7	66.1	0	0	0	111.7	M324 A350 A351 V354 R357 C358 L359 I436 C459 L461	M324-L434 HydrophobicContact CE-CD1 3.96Å; A350-L434 HydrophobicContact CB-CD2 4.02Å; A351-L434 HydrophobicContact CB-CD2 4.29Å; V354-L434 HydrophobicContact CG1-CB 4.45Å; V354-L434 HydrophobicContact CG2-CD2 4.45Å; R357-L434 PolarHBondContact O-N 3.38Å; C358-L434 CarbonylContact C-O 3.36Å; C358-L434 VanDerWaalsContact CA-O 3.26Å; C358-L434 WeakPolarHBondContact CA-O 3.37Å; C358-L434 PolarHBondContact SG-O 3.32Å; L359-L434 PolarHBondContact N-O 3.33Å; L434-I436 HydrophobicContact CD2-CD1 4.12Å; L434-I436 HydrophobicContact CD2-CG1 3.99Å; L434-I436 HydrophobicContact CG-CG1 4.08Å; L434-C459 WeakPolarHBondContact CA-O 3.47Å; L434-C459 HydrophobicContact CD1-CB 3.9Å; L434-L461 HydrophobicContact CD1-CB 4.06Å
435	M	93.4	Very high	82.6	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117	169.8	-179.2	176.2	68.7	0	0	110	L359 L361 L437 L452 V455 A457 C459 K460 L461	L359-M435 CarbonylContact O-C 3.53Å; L359-M435 VanDerWaalsContact O-CA 3.31Å; L359-M435 WeakPolarHBondContact O-CA 3.23Å; L361-M435 HydrophobicContact CD1-CG 4.33Å; L361-M435 HydrophobicContact CD1-SD 4.06Å; M435-L437 HydrophobicContact CE-CD1 4.06Å; M435-L437 HydrophobicContact CE-CD2 4.02Å; M435-L437 HydrophobicContact CE-CG 4.22Å; M435-L437 HydrophobicContact CG-CD2 4.05Å; M435-L437 HydrophobicContact CG-CG 4.31Å; M435-L437 HydrophobicContact SD-CD2 4.1Å; M435-L452 HydrophobicContact CE-CD2 3.15Å; M435-L452 HydrophobicContact SD-CD2 4.37Å; M435-V455 HydrophobicContact SD-CB 4.41Å; M435-V455 HydrophobicContact SD-CG1 4.23Å; M435-A457 HydrophobicContact CB-CB 3.67Å; M435-A457 HydrophobicContact SD-CB 4.43Å; M435-C459 PolarHBondContact N-O 3.32Å; M435-K460 HydrophobicContact CE-CB 4.22Å; M435-K460 HydrophobicContact CE-CD 4.04Å; M435-K460 HydrophobicContact CE-CG 3.78Å; M435-L461 PolarHBondContact O-N 2.75Å
436	I	94.7	Very high	82.2	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	121.6	178	-57	177.9	0	0	0	108.5	G347 L359 V360 L361 W371 F375 L434 L461 L463	G347-I436 WeakPolarHBondContact O-CD1 3.49Å; L359-I436 PolarHBondContact O-N 3.39Å; V360-I436 WeakPolarHBondContact CA-O 3.47Å; V360-I436 HydrophobicContact CB-CB 4.49Å; V360-I436 HydrophobicContact CG1-CB 4.32Å; V360-I436 HydrophobicContact CG1-CG2 4.39Å; V360-I436 HydrophobicContact CG2-CB 4.12Å; V360-I436 HydrophobicContact CG2-CD1 4.08Å; V360-I436 HydrophobicContact CG2-CG1 4.42Å; L361-I436 PolarHBondContact N-O 3.35Å; W371-I436 HydrophobicContact CH2-CG2 3.89Å; W371-I436 HydrophobicContact CZ2-CG2 4.17Å; F375-I436 HydrophobicContact CZ-CD1 4.47Å; L434-I436 HydrophobicContact CD2-CD1 4.12Å; L434-I436 HydrophobicContact CD2-CG1 3.99Å; L434-I436 HydrophobicContact CG-CG1 4.08Å; I436-L461 WeakPolarHBondContact CA-O 3.45Å; I436-L463 HydrophobicContact CG2-CD1 3.72Å; I436-L463 HydrophobicContact CG2-CG 4.33Å
437	L	91.4	Very high	81.8	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	108.7	-179.5	-57.8	166	0	0	0	108.2	L361 Y407 M435 V440 F448 L461 L463 I481	L361-L437 HydrophobicContact CB-CD2 4.22Å; L361-L437 HydrophobicContact CD1-CD2 3.68Å; L361-L437 HydrophobicContact CG-CD2 4.46Å; Y407-L437 HydrophobicContact CE1-CD2 3.74Å; Y407-L437 VanDerWaalsContact OH-C 3.28Å; Y407-L437 WeakPolarHBondContact OH-CA 3.16Å; Y407-L437 WeakPolarHBondContact OH-CB 2.9Å; M435-L437 HydrophobicContact CE-CD1 4.06Å; M435-L437 HydrophobicContact CE-CD2 4.02Å; M435-L437 HydrophobicContact CE-CG 4.22Å; M435-L437 HydrophobicContact CG-CD2 4.05Å; M435-L437 HydrophobicContact CG-CG 4.31Å; M435-L437 HydrophobicContact SD-CD2 4.1Å; L437-V440 HydrophobicContact CB-CG2 3.77Å; L437-V440 WeakPolarHBondContact O-CG2 3.39Å; L437-F448 HydrophobicContact CD1-CE2 3.9Å; L437-F448 HydrophobicContact CD1-CZ 3.65Å; L437-F448 HydrophobicContact CD2-CE2 4.21Å; L437-L461 PolarHBondContact N-O 3.49Å; L437-L463 PolarHBondContact O-N 3.24Å; L437-I481 HydrophobicContact CD1-CD1 3.73Å; L437-I481 HydrophobicContact CD1-CG1 3.93Å
438	D	89.9	Confident	81.4	Confident	13 Å²	13	30 Å²	30	7%	0.07	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	146.6	177	-164	15.2	0	0	0	111.4	L361 W371 Y407 V440	L361-D438 PolarHBondContact O-N 3.08Å; W371-D438 HydrophobicContact CZ2-CB 4.25Å; W371-D438 PolarHBondContact NE1-OD2 3.49Å; Y407-D438 WeakPolarHBondContact CE2-O 3.42Å; Y407-D438 PolarHBondContact OH-N 3.1Å; Y407-D438 VanDerWaalsContact OH-N 3.09Å; Y407-D438 PolarHBondContact OH-O 3.1Å; D438-V440 VanDerWaalsContact C-N 3.28Å; D438-V440 PolarHBondContact O-N 3.19Å
439	E	83.3	Confident	81.1	Confident	6 Å²	6	28.7 Å²	28.7	3%	0.028	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.5	48.3	-177.8	-57.6	-65.9	-165.6	0	0	114.2	K343 N363 H441 T442 L463 Q635 R639	K343-E439 IonicContact NZ-OE1 3.03Å; K343-E439 PolarHBondContact NZ-OE1 2.84Å; K343-E439 IonicContact NZ-OE2 3.77Å; K343-E439 PolarHBondContact NZ-OE2 3.5Å; N363-E439 WeakPolarHBondContact ND2-CB 3.25Å; E439-H441 PolarHBondContact O-N 3.17Å; E439-H441 IonicContact OE2-CE1 3.21Å; E439-H441 PolarHBondContact OE2-CE1 3.26Å; E439-H441 IonicContact OE2-ND1 2.68Å; E439-T442 HydrophobicContact CB-CG2 4.19Å; E439-T442 PolarHBondContact O-N 3.35Å; E439-T442 PolarHBondContact O-OG1 3.28Å; E439-L463 PolarHBondContact N-O 3.42Å; E439-Q635 PolarHBondContact OE1-NE2 2.9Å; E439-Q635 PolarHBondContact OE2-NE2 3.05Å; E439-R639 IonicContact OE1-CZ 3.63Å; E439-R639 IonicContact OE1-NE 3.55Å; E439-R639 IonicContact OE1-NH2 3.22Å; E439-R639 PolarHBondContact OE1-NH2 3.38Å
440	V	79.5	Confident	81	Confident	3 Å²	3	28 Å²	28	2%	0.018	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-43.9	-33.2	-177.1	176.1	0	0	0	0	114.8	L437 D438 T442 F448 L477 I481	L437-V440 HydrophobicContact CB-CG2 3.77Å; L437-V440 WeakPolarHBondContact O-CG2 3.39Å; D438-V440 VanDerWaalsContact C-N 3.28Å; D438-V440 PolarHBondContact O-N 3.19Å; V440-T442 VanDerWaalsContact C-N 3.29Å; V440-T442 PolarHBondContact O-N 2.95Å; V440-F448 HydrophobicContact CG1-CZ 4.41Å; V440-L477 HydrophobicContact CG1-CD1 4.04Å; V440-L477 HydrophobicContact CG1-CD2 3.19Å; V440-L477 HydrophobicContact CG1-CG 4.19Å; V440-I481 HydrophobicContact CB-CD1 4.4Å; V440-I481 HydrophobicContact CG1-CD1 3.47Å; V440-I481 VanDerWaalsContact CG1-CD1 3.47Å; V440-I481 HydrophobicContact CG2-CD1 3.98Å
441	H	75.3	Confident	81	Confident	23 Å²	23	26.2 Å²	26.2	11%	0.106	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-67.9	-21.9	-178.1	65.8	-93.5	0	0	0	114.3	E439 I443 T464	E439-H441 PolarHBondContact O-N 3.17Å; E439-H441 IonicContact OE2-CE1 3.21Å; E439-H441 PolarHBondContact OE2-CE1 3.26Å; E439-H441 IonicContact OE2-ND1 2.68Å; H441-I443 VanDerWaalsContact C-N 3.28Å; H441-I443 PolarHBondContact O-N 2.98Å; H441-T464 PolarHBondContact ND1-OG1 2.62Å
442	T	71.2	Confident	80.8	Confident	64 Å²	64	26.1 Å²	26.1	39%	0.393	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-80.1	-10.4	-175.7	59	0	0	0	0	113.4	N363 E439 V440	N363-T442 VanDerWaalsContact CG-OG1 3.31Å; N363-T442 PolarHBondContact ND2-OG1 3.25Å; N363-T442 PolarHBondContact OD1-OG1 3.42Å; E439-T442 HydrophobicContact CB-CG2 4.19Å; E439-T442 PolarHBondContact O-N 3.35Å; E439-T442 PolarHBondContact O-OG1 3.28Å; V440-T442 VanDerWaalsContact C-N 3.29Å; V440-T442 PolarHBondContact O-N 2.95Å
443	I	68.4	Low	80.3	Confident	6 Å²	6	31 Å²	31	3%	0.031	16%	0.155	C	C	.	.	S	Bend	trans	-96.1	126.1	-166.4	-48.9	161.4	0	0	0	110.1	Y407 H441 M447 F448 R469	Y407-I443 HydrophobicContact CD1-CD1 3.71Å; Y407-I443 HydrophobicContact CD2-CD1 3.69Å; Y407-I443 HydrophobicContact CD2-CG1 4.01Å; Y407-I443 HydrophobicContact CE1-CD1 3.37Å; Y407-I443 HydrophobicContact CE2-CD1 3.37Å; Y407-I443 HydrophobicContact CE2-CG1 4.04Å; Y407-I443 HydrophobicContact CG-CD1 3.85Å; Y407-I443 HydrophobicContact CG-CG1 4.29Å; H441-I443 VanDerWaalsContact C-N 3.28Å; H441-I443 PolarHBondContact O-N 2.98Å; I443-M447 HydrophobicContact CG2-CB 4.32Å; I443-F448 HydrophobicContact CB-CB 4.38Å; I443-F448 HydrophobicContact CB-CD2 4.15Å; I443-F448 HydrophobicContact CD1-CD2 3.6Å; I443-F448 HydrophobicContact CD1-CE2 3.9Å; I443-F448 HydrophobicContact CG2-CB 3.79Å; I443-F448 HydrophobicContact CG2-CD2 4.03Å; I443-F448 HydrophobicContact CG2-CG 4.37Å; I443-R469 PolarHBondContact O-NH1 3.38Å
444	P	66.3	Low	80	Confident	50 Å²	50	32.9 Å²	32.9	33%	0.325	16%	0.164	S	C	.	.			trans	-58.8	140.7	172.6	-23.3	33.5	0	0	0	111.6	K446 M447 F448 V730	P444-K446 VanDerWaalsContact C-N 3.26Å; P444-K446 PolarHBondContact O-N 3.43Å; P444-K446 VanDerWaalsContact O-N 3.15Å; P444-M447 PolarHBondContact O-N 2.88Å; P444-M447 VanDerWaalsContact O-N 3.15Å; P444-F448 WeakPolarHBondContact O-CB 3.36Å; P444-F448 PolarHBondContact O-N 2.86Å; P444-V730 HydrophobicContact CG-CB 4.43Å; P444-V730 HydrophobicContact CG-CG1 4.32Å
445	A	66	Low	79.6	Confident	10 Å²	10	33 Å²	33	8%	0.083	17%	0.165	C	C	.	.	H	α-helix	trans	-57.5	-37.9	-172	0	0	0	0	0	112.5	F448 R449	A445-F448 PolarHBondContact O-N 3.21Å; A445-R449 WeakPolarHBondContact O-CB 3.05Å; A445-R449 VanDerWaalsContact O-CG 3.28Å; A445-R449 WeakPolarHBondContact O-CG 3.23Å; A445-R449 PolarHBondContact O-N 3.02Å
446	K	74.7	Confident	79.1	Confident	138 Å²	138	34.4 Å²	34.4	60%	0.6	17%	0.172	S	C	*	.	H	α-helix	trans	-64.4	-44.4	179.5	-65.9	-173.3	178.4	-172.7	0	113	E28 P444 R450	E28-K446 WeakPolarHBondContact OE1-CE 3.33Å; E28-K446 IonicContact OE1-NZ 3.03Å; E28-K446 PolarHBondContact OE1-NZ 2.75Å; P444-K446 VanDerWaalsContact C-N 3.26Å; P444-K446 PolarHBondContact O-N 3.43Å; P444-K446 VanDerWaalsContact O-N 3.15Å; K446-R450 VanDerWaalsContact O-CG 3.29Å; K446-R450 WeakPolarHBondContact O-CG 3.38Å; K446-R450 PolarHBondContact O-N 3.27Å
447	M	76.1	Confident	78.7	Confident	38 Å²	38	34.8 Å²	34.8	19%	0.187	18%	0.175	C	C	.	.	H	α-helix	trans	-68	-42	177.7	-173.8	-179.6	-64.5	0	0	110.4	I443 P444 R450 V451 V730	I443-M447 HydrophobicContact CG2-CB 4.32Å; P444-M447 PolarHBondContact O-N 2.88Å; P444-M447 VanDerWaalsContact O-N 3.15Å; M447-R450 PolarHBondContact O-N 3.13Å; M447-V451 WeakPolarHBondContact O-CG2 3.41Å; M447-V451 PolarHBondContact O-N 3.5Å; M447-V730 HydrophobicContact CE-CG1 4.11Å; M447-V730 HydrophobicContact CE-CG2 4.17Å
448	F	75.3	Confident	78.4	Confident	1 Å²	1	35.4 Å²	35.4	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-61.1	-49.3	-179.9	-165.7	-109.9	0	0	0	112.2	L437 V440 I443 P444 A445 R450 V451 L452 L477 L480 I481	L437-F448 HydrophobicContact CD1-CE2 3.9Å; L437-F448 HydrophobicContact CD1-CZ 3.65Å; L437-F448 HydrophobicContact CD2-CE2 4.21Å; V440-F448 HydrophobicContact CG1-CZ 4.41Å; I443-F448 HydrophobicContact CB-CB 4.38Å; I443-F448 HydrophobicContact CB-CD2 4.15Å; I443-F448 HydrophobicContact CD1-CD2 3.6Å; I443-F448 HydrophobicContact CD1-CE2 3.9Å; I443-F448 HydrophobicContact CG2-CB 3.79Å; I443-F448 HydrophobicContact CG2-CD2 4.03Å; I443-F448 HydrophobicContact CG2-CG 4.37Å; P444-F448 WeakPolarHBondContact O-CB 3.36Å; P444-F448 PolarHBondContact O-N 2.86Å; A445-F448 PolarHBondContact O-N 3.21Å; F448-R450 VanDerWaalsContact C-N 3.31Å; F448-R450 PolarHBondContact O-N 2.96Å; F448-V451 PolarHBondContact O-N 3.33Å; F448-L452 HydrophobicContact CD1-CD1 3.88Å; F448-L452 HydrophobicContact CE1-CD1 3.48Å; F448-L452 VanDerWaalsContact CE1-CD1 3.48Å; F448-L452 HydrophobicContact CE1-CG 4.26Å; F448-L452 HydrophobicContact CZ-CD1 3.99Å; F448-L452 HydrophobicContact CZ-CD2 4.47Å; F448-L452 HydrophobicContact CZ-CG 4.39Å; F448-L452 WeakPolarHBondContact O-CG 3.49Å; F448-L452 PolarHBondContact O-N 3.24Å; F448-L452 VanDerWaalsContact O-N 3.1Å; F448-L477 HydrophobicContact CD1-CD2 4.03Å; F448-L477 HydrophobicContact CE1-CD2 3.7Å; F448-L477 HydrophobicContact CZ-CD2 4.15Å; F448-L480 HydrophobicContact CD1-CB 4.18Å; F448-L480 HydrophobicContact CD1-CD1 3.69Å; F448-L480 HydrophobicContact CE1-CB 3.8Å; F448-L480 HydrophobicContact CE1-CD1 4.18Å; F448-I481 HydrophobicContact CE1-CD1 4.07Å; F448-I481 HydrophobicContact CE1-CG1 3.78Å; F448-I481 HydrophobicContact CZ-CD1 3.55Å; F448-I481 HydrophobicContact CZ-CG1 3.57Å
449	R	76.9	Confident	78.3	Confident	83 Å²	83	34.8 Å²	34.8	31%	0.313	17%	0.174	S	C	.	.	H	α-helix	trans	-53.8	-48.1	174.1	-73.5	-179.5	-168.1	-179	4.5	111.5	A445 V451 L452 T453 D476 L480	A445-R449 WeakPolarHBondContact O-CB 3.05Å; A445-R449 VanDerWaalsContact O-CG 3.28Å; A445-R449 WeakPolarHBondContact O-CG 3.23Å; A445-R449 PolarHBondContact O-N 3.02Å; R449-V451 PolarHBondContact O-N 3.38Å; R449-L452 PolarHBondContact O-N 3.38Å; R449-L452 VanDerWaalsContact O-N 3.17Å; R449-T453 PolarHBondContact O-N 3.44Å; R449-T453 PolarHBondContact O-OG1 3.47Å; R449-D476 IonicContact CZ-OD2 2.9Å; R449-D476 IonicContact NH2-OD2 2.71Å; R449-D476 PolarHBondContact NH2-OD2 2.86Å; R449-L480 HydrophobicContact CG-CD1 3.64Å; R449-L480 HydrophobicContact CG-CD2 3.82Å; R449-L480 HydrophobicContact CG-CG 4.41Å
450	R	80.9	Confident	78.7	Confident	92 Å²	92	36.4 Å²	36.4	35%	0.347	18%	0.181	S	C	.	.	H	α-helix	trans	-60.5	-41.9	179.5	-72	176.9	63.2	-136.9	-17.1	113.2	G411 T413 K446 M447 F448 L452 T453 I454	G411-R450 PolarHBondContact O-NH1 2.74Å; G411-R450 PolarHBondContact O-NH2 3.34Å; T413-R450 VanDerWaalsContact CG2-CZ 3.45Å; K446-R450 VanDerWaalsContact O-CG 3.29Å; K446-R450 WeakPolarHBondContact O-CG 3.38Å; K446-R450 PolarHBondContact O-N 3.27Å; M447-R450 PolarHBondContact O-N 3.13Å; F448-R450 VanDerWaalsContact C-N 3.31Å; F448-R450 PolarHBondContact O-N 2.96Å; R450-L452 VanDerWaalsContact C-N 3.32Å; R450-L452 PolarHBondContact O-N 3.26Å; R450-T453 PolarHBondContact O-N 3.01Å; R450-I454 WeakPolarHBondContact O-CB 3.32Å; R450-I454 WeakPolarHBondContact O-CD1 3.07Å; R450-I454 WeakPolarHBondContact O-CG1 3.27Å; R450-I454 PolarHBondContact O-N 3.14Å
451	V	82.9	Confident	79.3	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-42.8	177.3	172.2	0	0	0	0	110.7	L361 L410 M447 F448 R449 T453 I454 V455	L361-V451 HydrophobicContact CD1-CG1 3.61Å; L410-V451 HydrophobicContact CB-CG2 4.06Å; L410-V451 HydrophobicContact CD2-CG1 3.99Å; M447-V451 WeakPolarHBondContact O-CG2 3.41Å; M447-V451 PolarHBondContact O-N 3.5Å; F448-V451 PolarHBondContact O-N 3.33Å; R449-V451 PolarHBondContact O-N 3.38Å; V451-T453 VanDerWaalsContact C-N 3.34Å; V451-T453 PolarHBondContact O-N 3.48Å; V451-I454 PolarHBondContact O-N 3.4Å; V451-V455 PolarHBondContact O-N 3.38Å
452	L	79.6	Confident	80.1	Confident	20 Å²	20	35.1 Å²	35.1	11%	0.105	18%	0.175	C	C	.	.	H	α-helix	trans	-67.7	-29.8	177.8	-65.3	179.8	0	0	0	113.8	M435 F448 R449 R450 K460 L480	M435-L452 HydrophobicContact CE-CD2 3.15Å; M435-L452 HydrophobicContact SD-CD2 4.37Å; F448-L452 HydrophobicContact CD1-CD1 3.88Å; F448-L452 HydrophobicContact CE1-CD1 3.48Å; F448-L452 VanDerWaalsContact CE1-CD1 3.48Å; F448-L452 HydrophobicContact CE1-CG 4.26Å; F448-L452 HydrophobicContact CZ-CD1 3.99Å; F448-L452 HydrophobicContact CZ-CD2 4.47Å; F448-L452 HydrophobicContact CZ-CG 4.39Å; F448-L452 WeakPolarHBondContact O-CG 3.49Å; F448-L452 PolarHBondContact O-N 3.24Å; F448-L452 VanDerWaalsContact O-N 3.1Å; R449-L452 PolarHBondContact O-N 3.38Å; R449-L452 VanDerWaalsContact O-N 3.17Å; R450-L452 VanDerWaalsContact C-N 3.32Å; R450-L452 PolarHBondContact O-N 3.26Å; L452-K460 HydrophobicContact CD2-CD 4.12Å; L452-L480 HydrophobicContact CD1-CB 3.61Å; L452-L480 HydrophobicContact CD1-CD2 4.17Å; L452-L480 HydrophobicContact CD1-CG 4.34Å; L452-L480 WeakPolarHBondContact CD1-O 3.5Å
453	T	79.9	Confident	81.1	Confident	102 Å²	102	32.1 Å²	32.1	63%	0.626	16%	0.156	S	C	*	.	H	α-helix	trans	-75.1	-34.8	173.1	-47.9	0	0	0	0	111.8	R449 R450 V451	R449-T453 PolarHBondContact O-N 3.44Å; R449-T453 PolarHBondContact O-OG1 3.47Å; R450-T453 PolarHBondContact O-N 3.01Å; V451-T453 VanDerWaalsContact C-N 3.34Å; V451-T453 PolarHBondContact O-N 3.48Å
454	I	82.8	Confident	81.9	Confident	41 Å²	41	31.9 Å²	31.9	21%	0.21	16%	0.155	C	C	.	.	H	α-helix	trans	-73.4	-41.2	-178	-71.7	165.2	0	0	0	111.6	M424 R428 R450 V451	M424-I454 HydrophobicContact CE-CG2 4.09Å; R428-I454 HydrophobicContact CG-CG2 3.71Å; R450-I454 WeakPolarHBondContact O-CB 3.32Å; R450-I454 WeakPolarHBondContact O-CD1 3.07Å; R450-I454 WeakPolarHBondContact O-CG1 3.27Å; R450-I454 PolarHBondContact O-N 3.14Å; V451-I454 PolarHBondContact O-N 3.4Å
455	V	83.9	Confident	82.5	Confident	4 Å²	4	29.6 Å²	29.6	2%	0.024	14%	0.141	C	C	.	.	S	Bend	trans	-101.6	122.5	-173.6	-177.8	0	0	0	0	110.3	L359 L410 W432 M435 V451 A457	L359-V455 HydrophobicContact CD2-CB 4.38Å; L359-V455 HydrophobicContact CD2-CG1 3.63Å; L359-V455 HydrophobicContact CD2-CG2 3.96Å; L410-V455 HydrophobicContact CD2-CG2 3.55Å; W432-V455 HydrophobicContact CG-CG1 4.25Å; M435-V455 HydrophobicContact SD-CB 4.41Å; M435-V455 HydrophobicContact SD-CG1 4.23Å; V451-V455 PolarHBondContact O-N 3.38Å; V455-A457 PolarHBondContact O-N 3.34Å
456	Q	81.1	Confident	82.8	Confident	29 Å²	29	29.8 Å²	29.8	14%	0.136	14%	0.141	C	C	.	.			trans	-86.4	107.3	174.8	-62.4	167.2	-0.5	0	0	109.2	N168 Q271 W432	N168-Q456 PolarHBondContact ND2-OE1 3.33Å; N168-Q456 PolarHBondContact OD1-OE1 3.12Å; Q271-Q456 VanDerWaalsContact NE2-CD 3.3Å; W432-Q456 PolarHBondContact N-O 2.94Å
457	A	86.9	Confident	82.3	Confident	8 Å²	8	25 Å²	25	7%	0.066	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.2	178.5	0	0	0	0	0	111.3	W432 M435 V455	W432-A457 HydrophobicContact CB-CB 4.06Å; W432-A457 CarbonylContact O-C 3.58Å; W432-A457 WeakPolarHBondContact O-CA 3.46Å; M435-A457 HydrophobicContact CB-CB 3.67Å; M435-A457 HydrophobicContact SD-CB 4.43Å; V455-A457 PolarHBondContact O-N 3.34Å
458	H	85.6	Confident	81.6	Confident	13 Å²	13	26.3 Å²	26.3	6%	0.06	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	-51.4	178.7	-66.8	-98.5	0	0	0	111.7	L165 Y292 N300 E431 W432	L165-H458 WeakPolarHBondContact CB-ND1 3.34Å; L165-H458 VanDerWaalsContact CG-CE1 3.46Å; L165-H458 WeakPolarHBondContact CG-CE1 3.47Å; L165-H458 PolarHBondContact O-CE1 3.5Å; L165-H458 PolarHBondContact O-ND1 2.86Å; L165-H458 VanDerWaalsContact O-ND1 3.13Å; Y292-H458 HydrophobicContact CD1-CB 3.78Å; Y292-H458 HydrophobicContact CD2-CB 3.41Å; Y292-H458 VanDerWaalsContact CD2-CB 3.41Å; Y292-H458 AromaticContact CD2-CG 3.61Å; Y292-H458 AromaticContact CD2-ND1 3.55Å; Y292-H458 HydrophobicContact CE1-CB 4.11Å; Y292-H458 HydrophobicContact CE2-CB 3.78Å; Y292-H458 AromaticContact CE2-CG 3.56Å; Y292-H458 AromaticContact CE2-ND1 3.49Å; Y292-H458 WeakPolarHBondContact CE2-ND1 3.42Å; Y292-H458 HydrophobicContact CG-CB 3.41Å; Y292-H458 VanDerWaalsContact CG-CB 3.41Å; N300-H458 PolarHBondContact ND2-NE2 2.91Å; E431-H458 IonicContact OE2-NE2 3.19Å; E431-H458 PolarHBondContact OE2-NE2 3.33Å; W432-H458 PolarHBondContact O-CD2 2.88Å; W432-H458 PolarHBondContact O-N 3.36Å
459	C	88.6	Confident	81.1	Confident	0 Å²	0	26.9 Å²	26.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.3	178.4	-171.7	0	0	0	0	110.8	Y292 A330 S332 G433 L434 M435	Y292-C459 HydrophobicContact CD1-CB 4.23Å; A330-C459 HydrophobicContact CB-CB 4.39Å; S332-C459 WeakPolarHBondContact OG-CA 3.35Å; G433-C459 WeakPolarHBondContact O-CB 3.33Å; G433-C459 PolarHBondContact O-N 3.13Å; G433-C459 VanDerWaalsContact O-N 3.13Å; L434-C459 WeakPolarHBondContact CA-O 3.47Å; L434-C459 HydrophobicContact CD1-CB 3.9Å; M435-C459 PolarHBondContact N-O 3.32Å
460	K	91.2	Very high	80.1	Confident	39 Å²	39	28.2 Å²	28.2	17%	0.17	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	118.7	177.8	-52.1	176.5	-174.5	171.4	0	109.3	S332 G333 M435 L452 L480 I481	S332-K460 CarbonylContact C-O 3.6Å; S332-K460 VanDerWaalsContact CA-O 3.23Å; S332-K460 WeakPolarHBondContact CA-O 3.28Å; S332-K460 WeakPolarHBondContact CB-O 3.08Å; S332-K460 PolarHBondContact OG-N 3.43Å; G333-K460 PolarHBondContact N-O 3.02Å; M435-K460 HydrophobicContact CE-CB 4.22Å; M435-K460 HydrophobicContact CE-CD 4.04Å; M435-K460 HydrophobicContact CE-CG 3.78Å; L452-K460 HydrophobicContact CD2-CD 4.12Å; K460-L480 PolarHBondContact NZ-O 3.08Å; K460-I481 HydrophobicContact CB-CG2 3.99Å
461	L	92.7	Very high	79	Confident	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	112.6	178.4	177.5	60.6	0	0	0	110.1	M324 I335 A350 L434 M435 I436 L437 L463	M324-L461 HydrophobicContact CE-CB 4.2Å; M324-L461 HydrophobicContact CE-CD1 4.26Å; M324-L461 HydrophobicContact CE-CD2 4.14Å; M324-L461 HydrophobicContact CE-CG 4.43Å; M324-L461 HydrophobicContact SD-CD1 3.87Å; M324-L461 HydrophobicContact SD-CD2 4.02Å; M324-L461 HydrophobicContact SD-CG 4.45Å; I335-L461 HydrophobicContact CB-CD1 4.5Å; I335-L461 HydrophobicContact CD1-CD1 3.81Å; I335-L461 HydrophobicContact CG1-CD1 3.97Å; A350-L461 HydrophobicContact CB-CD2 3.89Å; L434-L461 HydrophobicContact CD1-CB 4.06Å; M435-L461 PolarHBondContact O-N 2.75Å; I436-L461 WeakPolarHBondContact CA-O 3.45Å; L437-L461 PolarHBondContact N-O 3.49Å; L461-L463 HydrophobicContact CD1-CD2 4.45Å; L461-L463 HydrophobicContact CD2-CD2 4.33Å; L461-L463 HydrophobicContact CG-CD2 4.27Å; L461-L463 HydrophobicContact CG-CG 4.38Å
462	G	91.7	Very high	77.9	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	124	171.4	0	0	0	0	0	111.8	G333 V334 I335	G333-G462 PolarHBondContact O-N 3.19Å; V334-G462 CarbonylContact C-O 3.53Å; V334-G462 WeakPolarHBondContact CA-O 2.98Å; I335-G462 PolarHBondContact N-O 3.37Å
463	L	90.8	Very high	77.2	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	122.8	171.8	-62.7	175.9	0	0	0	109.1	I335 W371 I436 L437 E439 L461	I335-L463 HydrophobicContact CB-CD2 4.12Å; I335-L463 HydrophobicContact CG2-CD2 4.44Å; W371-L463 HydrophobicContact CH2-CD1 3.6Å; W371-L463 HydrophobicContact CZ2-CD1 3.87Å; I436-L463 HydrophobicContact CG2-CD1 3.72Å; I436-L463 HydrophobicContact CG2-CG 4.33Å; L437-L463 PolarHBondContact O-N 3.24Å; E439-L463 PolarHBondContact N-O 3.42Å; L461-L463 HydrophobicContact CD1-CD2 4.45Å; L461-L463 HydrophobicContact CD2-CD2 4.33Å; L461-L463 HydrophobicContact CG-CD2 4.27Å; L461-L463 HydrophobicContact CG-CG 4.38Å
464	T	86.7	Confident	76.3	Confident	1 Å²	1	34.1 Å²	34.1	1%	0.006	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	152.8	179.7	-173.5	0	0	0	0	111.5	V334 I335 V336 L337 H441 T466 L467	V334-T464 HydrophobicContact CG1-CG2 3.76Å; I335-T464 PolarHBondContact O-N 2.69Å; I335-T464 VanDerWaalsContact O-N 3.16Å; V336-T464 CarbonylContact C-O 3.55Å; V336-T464 VanDerWaalsContact CA-O 3.29Å; V336-T464 WeakPolarHBondContact CA-O 3.42Å; V336-T464 HydrophobicContact CB-CG2 4.39Å; V336-T464 HydrophobicContact CG1-CG2 4.3Å; V336-T464 HydrophobicContact CG2-CG2 3.9Å; L337-T464 PolarHBondContact N-O 3.27Å; H441-T464 PolarHBondContact ND1-OG1 2.62Å; T464-T466 PolarHBondContact OG1-N 3.11Å; T464-T466 PolarHBondContact OG1-O 2.98Å; T464-L467 HydrophobicContact CG2-CD2 4.03Å; T464-L467 HydrophobicContact CG2-CG 4.32Å
465	A	79.1	Confident	75.4	Confident	3 Å²	3	34.4 Å²	34.4	3%	0.025	18%	0.177	C	C	.	.	S	Bend	trans	-85.2	-30.6	170.9	0	0	0	0	0	113.5	L337 C339	L337-A465 VanDerWaalsContact O-CA 3.29Å; L337-A465 WeakPolarHBondContact O-CA 3.15Å; C339-A465 VanDerWaalsContact SG-CB 3.6Å
466	T	70.4	Confident	74.5	Confident	14 Å²	14	35.5 Å²	35.5	9%	0.086	18%	0.183	C	C	.	.			trans	-141.9	138.4	-176.5	53	0	0	0	0	109.4	T464	T464-T466 PolarHBondContact OG1-N 3.11Å; T464-T466 PolarHBondContact OG1-O 2.98Å
467	L	64.9	Low	74	Confident	38 Å²	38	34.5 Å²	34.5	20%	0.199	18%	0.178	C	C	.	.			trans	-90.7	-11.2	175.8	-82.6	173.3	0	0	0	114.3	V334 V336 T464 R469 I474 K484	V334-L467 HydrophobicContact CG1-CD2 4.06Å; V336-L467 HydrophobicContact CG2-CD1 3.44Å; V336-L467 VanDerWaalsContact CG2-CD1 3.44Å; V336-L467 HydrophobicContact CG2-CD2 4.13Å; V336-L467 HydrophobicContact CG2-CG 3.5Å; V336-L467 VanDerWaalsContact CG2-CG 3.5Å; T464-L467 HydrophobicContact CG2-CD2 4.03Å; T464-L467 HydrophobicContact CG2-CG 4.32Å; L467-R469 PolarHBondContact O-N 2.98Å; L467-I474 WeakPolarHBondContact O-CD1 3.3Å; L467-I474 WeakPolarHBondContact O-CG1 3.18Å; L467-I474 WeakPolarHBondContact O-CG2 3.49Å; L467-K484 HydrophobicContact CD1-CB 4.43Å; L467-K484 HydrophobicContact CD1-CD 3.25Å; L467-K484 HydrophobicContact CD1-CG 3.87Å
468	V	61.8	Low	73.2	Confident	65 Å²	65	35.3 Å²	35.3	39%	0.394	18%	0.182	S	C	.	.			trans	-69.1	128.7	-178.5	-160.4	0	0	0	0	107.6	R631	V468-R631 VanDerWaalsContact C-NH2 3.32Å; V468-R631 WeakPolarHBondContact O-CD 3.43Å; V468-R631 PolarHBondContact O-NE 3.41Å; V468-R631 PolarHBondContact O-NH1 2.98Å; V468-R631 VanDerWaalsContact O-NH1 3.13Å
469	R	64.4	Low	72.3	Confident	12 Å²	12	37 Å²	37	5%	0.045	19%	0.189	C	C	.	.			trans	-122	141.9	174.8	-150.3	179.7	133.8	156.7	-3.2	110.5	I443 L467 D471 I474 R631	I443-R469 PolarHBondContact O-NH1 3.38Å; L467-R469 PolarHBondContact O-N 2.98Å; R469-D471 VanDerWaalsContact C-N 3.35Å; R469-D471 VanDerWaalsContact CD-OD1 3.26Å; R469-D471 WeakPolarHBondContact CD-OD1 3.29Å; R469-D471 WeakPolarHBondContact CG-OD1 2.94Å; R469-D471 IonicContact CZ-OD1 2.73Å; R469-D471 IonicContact CZ-OD2 2.67Å; R469-D471 IonicContact NE-OD1 3.36Å; R469-D471 PolarHBondContact NE-OD1 2.8Å; R469-D471 IonicContact NE-OD2 3.98Å; R469-D471 PolarHBondContact NE-OD2 2.9Å; R469-D471 IonicContact NH2-OD1 2.89Å; R469-D471 IonicContact NH2-OD2 3.95Å; R469-D471 PolarHBondContact NH2-OD2 2.62Å; R469-I474 HydrophobicContact CB-CB 4.47Å; R469-I474 HydrophobicContact CB-CD1 4.31Å; R469-I474 HydrophobicContact CB-CG1 3.36Å; R469-I474 VanDerWaalsContact N-CD1 3.31Å; R469-I474 VanDerWaalsContact N-CG1 3.31Å; R469-R631 VanDerWaalsContact N-CZ 3.26Å; R469-R631 VanDerWaalsContact N-NH2 3.17Å; R469-R631 PolarHBondContact O-NH2 3.36Å
470	E	55.5	Low	71.7	Confident	111 Å²	111	38 Å²	38	52%	0.519	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-15.8	-158.2	-112.6	164.2	-119.6	0	0	111.7	S629 R631	E470-S629 VanDerWaalsContact OE1-CA 3.29Å; E470-S629 WeakPolarHBondContact OE1-CA 3.19Å; E470-S629 VanDerWaalsContact OE1-CB 3.26Å; E470-S629 WeakPolarHBondContact OE1-CB 3.33Å; E470-S629 PolarHBondContact OE1-OG 2.81Å; E470-R631 VanDerWaalsContact CB-NH1 3.33Å; E470-R631 VanDerWaalsContact CG-NH1 3.34Å; E470-R631 IonicContact OE1-NH1 2.73Å
471	D	58.3	Low	71.2	Confident	70 Å²	70	36.5 Å²	36.5	37%	0.374	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.4	11.6	175.8	59.7	-12	0	0	0	112.2	R469 K473	R469-D471 VanDerWaalsContact C-N 3.35Å; R469-D471 VanDerWaalsContact CD-OD1 3.26Å; R469-D471 WeakPolarHBondContact CD-OD1 3.29Å; R469-D471 WeakPolarHBondContact CG-OD1 2.94Å; R469-D471 IonicContact CZ-OD1 2.73Å; R469-D471 IonicContact CZ-OD2 2.67Å; R469-D471 IonicContact NE-OD1 3.36Å; R469-D471 PolarHBondContact NE-OD1 2.8Å; R469-D471 IonicContact NE-OD2 3.98Å; R469-D471 PolarHBondContact NE-OD2 2.9Å; R469-D471 IonicContact NH2-OD1 2.89Å; R469-D471 IonicContact NH2-OD2 3.95Å; R469-D471 PolarHBondContact NH2-OD2 2.62Å; D471-K473 WeakPolarHBondContact O-CG 3.36Å; D471-K473 PolarHBondContact O-N 3.12Å
472	D	60.7	Low	70.5	Confident	133 Å²	133	37 Å²	37	71%	0.711	19%	0.194	S	C	*	.	S	Bend	trans	53.2	9.4	-177.2	-65.1	-34.9	0	0	0	115.7	I474	D472-I474 PolarHBondContact O-N 3.29Å; D472-I474 VanDerWaalsContact O-N 3.12Å
473	K	64.1	Low	69.9	Low	92 Å²	92	38.1 Å²	38.1	40%	0.4	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	29.1	176.5	-66.3	177.5	-173.4	-171.7	0	112.5	D471 V475 D476	D471-K473 WeakPolarHBondContact O-CG 3.36Å; D471-K473 PolarHBondContact O-N 3.12Å; K473-V475 PolarHBondContact O-N 2.85Å; K473-D476 PolarHBondContact O-N 3.1Å
474	I	61	Low	69.5	Low	43 Å²	43	39.6 Å²	39.6	22%	0.221	21%	0.207	C	C	.	.	H	α-helix	trans	-61.5	-35.2	173	-54.9	163.5	0	0	0	109.6	L467 R469 D472 D476 L477	L467-I474 WeakPolarHBondContact O-CD1 3.3Å; L467-I474 WeakPolarHBondContact O-CG1 3.18Å; L467-I474 WeakPolarHBondContact O-CG2 3.49Å; R469-I474 HydrophobicContact CB-CB 4.47Å; R469-I474 HydrophobicContact CB-CD1 4.31Å; R469-I474 HydrophobicContact CB-CG1 3.36Å; R469-I474 VanDerWaalsContact N-CD1 3.31Å; R469-I474 VanDerWaalsContact N-CG1 3.31Å; D472-I474 PolarHBondContact O-N 3.29Å; D472-I474 VanDerWaalsContact O-N 3.12Å; I474-D476 PolarHBondContact O-N 2.83Å; I474-L477 WeakPolarHBondContact O-CB 3.37Å; I474-L477 PolarHBondContact O-N 3.06Å
475	V	63.9	Low	69.4	Low	48 Å²	48	40.2 Å²	40.2	29%	0.291	21%	0.21	S	C	.	.	H	α-helix	trans	-58	-38.5	-178	-178.5	0	0	0	0	111.9	V33 Y116 K473 L477 N478	V33-V475 HydrophobicContact CG2-CG1 3.68Å; Y116-V475 HydrophobicContact CE1-CG1 4.22Å; Y116-V475 HydrophobicContact CE2-CG1 3.72Å; Y116-V475 HydrophobicContact CE2-CG2 4.42Å; Y116-V475 WeakPolarHBondContact OH-CG1 3.3Å; K473-V475 PolarHBondContact O-N 2.85Å; V475-L477 VanDerWaalsContact C-N 3.26Å; V475-L477 PolarHBondContact O-N 3.24Å; V475-N478 PolarHBondContact O-N 3.28Å
476	D	65.6	Low	69.7	Low	27 Å²	27	40.8 Å²	40.8	14%	0.144	21%	0.212	C	C	.	.	H	α-helix	trans	-64.5	-28.4	176.5	-70.9	6.7	0	0	0	112.8	R449 K473 I474 F479 L480	R449-D476 IonicContact CZ-OD2 2.9Å; R449-D476 IonicContact NH2-OD2 2.71Å; R449-D476 PolarHBondContact NH2-OD2 2.86Å; K473-D476 PolarHBondContact O-N 3.1Å; I474-D476 PolarHBondContact O-N 2.83Å; D476-F479 PolarHBondContact O-N 2.91Å; D476-L480 WeakPolarHBondContact O-CB 3.41Å; D476-L480 WeakPolarHBondContact O-CD1 3.43Å; D476-L480 WeakPolarHBondContact O-CG 3.35Å; D476-L480 PolarHBondContact O-N 2.81Å; D476-L480 VanDerWaalsContact O-N 3.1Å
477	L	70.6	Confident	70.3	Confident	7 Å²	7	41.8 Å²	41.8	4%	0.037	22%	0.216	C	C	.	.	H	α-helix	trans	-70.7	-40.7	-178.1	-86.6	165.6	0	0	0	112.4	V440 F448 I474 V475 F479 L480 I481	V440-L477 HydrophobicContact CG1-CD1 4.04Å; V440-L477 HydrophobicContact CG1-CD2 3.19Å; V440-L477 HydrophobicContact CG1-CG 4.19Å; F448-L477 HydrophobicContact CD1-CD2 4.03Å; F448-L477 HydrophobicContact CE1-CD2 3.7Å; F448-L477 HydrophobicContact CZ-CD2 4.15Å; I474-L477 WeakPolarHBondContact O-CB 3.37Å; I474-L477 PolarHBondContact O-N 3.06Å; V475-L477 VanDerWaalsContact C-N 3.26Å; V475-L477 PolarHBondContact O-N 3.24Å; L477-F479 PolarHBondContact O-N 2.91Å; L477-L480 PolarHBondContact O-N 3.34Å; L477-I481 HydrophobicContact CD2-CD1 4.19Å; L477-I481 PolarHBondContact O-N 2.93Å; L477-I481 VanDerWaalsContact O-N 3.08Å
478	N	69.2	Low	71.2	Confident	25 Å²	25	40 Å²	40	13%	0.134	21%	0.207	C	C	.	.	H	α-helix	trans	-60.8	-33	176.7	-69.5	-20.6	0	0	0	111.1	Y116 V475 G482	Y116-N478 HydrophobicContact CD1-CB 4.23Å; V475-N478 PolarHBondContact O-N 3.28Å; N478-G482 WeakPolarHBondContact CA-O 3.43Å; N478-G482 CarbonylContact O-C 3.57Å; N478-G482 WeakPolarHBondContact O-CA 3.45Å; N478-G482 PolarHBondContact O-N 2.97Å; N478-G482 VanDerWaalsContact O-O 3.13Å
479	F	67.6	Low	72.1	Confident	49 Å²	49	37.4 Å²	37.4	22%	0.215	19%	0.19	C	C	.	.	H	α-helix	trans	-73.2	-42.8	175.7	174.8	-115.4	0	0	0	112.9	Q278 K279 I282 D476 L477	Q278-F479 HydrophobicContact CB-CE2 3.69Å; Q278-F479 HydrophobicContact CB-CZ 3.47Å; Q278-F479 VanDerWaalsContact CB-CZ 3.47Å; Q278-F479 HydrophobicContact CG-CZ 4.48Å; K279-F479 HydrophobicContact CG-CZ 4.38Å; I282-F479 HydrophobicContact CD1-CD2 3.19Å; I282-F479 HydrophobicContact CD1-CE2 3.1Å; I282-F479 HydrophobicContact CD1-CG 4.21Å; I282-F479 HydrophobicContact CD1-CZ 4.09Å; I282-F479 HydrophobicContact CG1-CE2 4.26Å; D476-F479 PolarHBondContact O-N 2.91Å; L477-F479 PolarHBondContact O-N 2.91Å
480	L	75.1	Confident	72.7	Confident	22 Å²	22	38.1 Å²	38.1	12%	0.115	19%	0.193	C	C	.	.	H	α-helix	trans	-76.2	-33.9	-171.2	-72.2	172.3	0	0	0	113.5	F448 R449 L452 K460 D476 L477	F448-L480 HydrophobicContact CD1-CB 4.18Å; F448-L480 HydrophobicContact CD1-CD1 3.69Å; F448-L480 HydrophobicContact CE1-CB 3.8Å; F448-L480 HydrophobicContact CE1-CD1 4.18Å; R449-L480 HydrophobicContact CG-CD1 3.64Å; R449-L480 HydrophobicContact CG-CD2 3.82Å; R449-L480 HydrophobicContact CG-CG 4.41Å; L452-L480 HydrophobicContact CD1-CB 3.61Å; L452-L480 HydrophobicContact CD1-CD2 4.17Å; L452-L480 HydrophobicContact CD1-CG 4.34Å; L452-L480 WeakPolarHBondContact CD1-O 3.5Å; K460-L480 PolarHBondContact NZ-O 3.08Å; D476-L480 WeakPolarHBondContact O-CB 3.41Å; D476-L480 WeakPolarHBondContact O-CD1 3.43Å; D476-L480 WeakPolarHBondContact O-CG 3.35Å; D476-L480 PolarHBondContact O-N 2.81Å; D476-L480 VanDerWaalsContact O-N 3.1Å; L477-L480 PolarHBondContact O-N 3.34Å
481	I	80.4	Confident	73.7	Confident	6 Å²	6	33.8 Å²	33.8	3%	0.031	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-51.1	179.7	-54.7	176.6	0	0	0	110.7	S332 V334 L437 V440 F448 K460 L477	S332-I481 VanDerWaalsContact CB-O 3.27Å; S332-I481 WeakPolarHBondContact CB-O 3.36Å; V334-I481 HydrophobicContact CG2-CB 4.16Å; V334-I481 HydrophobicContact CG2-CD1 4Å; V334-I481 HydrophobicContact CG2-CG2 4.07Å; L437-I481 HydrophobicContact CD1-CD1 3.73Å; L437-I481 HydrophobicContact CD1-CG1 3.93Å; V440-I481 HydrophobicContact CB-CD1 4.4Å; V440-I481 HydrophobicContact CG1-CD1 3.47Å; V440-I481 VanDerWaalsContact CG1-CD1 3.47Å; V440-I481 HydrophobicContact CG2-CD1 3.98Å; F448-I481 HydrophobicContact CE1-CD1 4.07Å; F448-I481 HydrophobicContact CE1-CG1 3.78Å; F448-I481 HydrophobicContact CZ-CD1 3.55Å; F448-I481 HydrophobicContact CZ-CG1 3.57Å; K460-I481 HydrophobicContact CB-CG2 3.99Å; L477-I481 HydrophobicContact CD2-CD1 4.19Å; L477-I481 PolarHBondContact O-N 2.93Å; L477-I481 VanDerWaalsContact O-N 3.08Å
482	G	79	Confident	74.8	Confident	12 Å²	12	34.6 Å²	34.6	12%	0.124	18%	0.175	C	C	.	.			trans	139.8	177.9	-169.1	0	0	0	0	0	111.6	N478	N478-G482 WeakPolarHBondContact CA-O 3.43Å; N478-G482 CarbonylContact O-C 3.57Å; N478-G482 WeakPolarHBondContact O-CA 3.45Å; N478-G482 PolarHBondContact O-N 2.97Å; N478-G482 VanDerWaalsContact O-O 3.13Å
483	P	79.1	Confident	75.8	Confident	22 Å²	22	28.5 Å²	28.5	14%	0.143	14%	0.142	C	C	.	.			trans	-64.4	162.3	-176.6	27	-35	0	0	0	113	A120 G333 V334 L485	A120-P483 HydrophobicContact CB-CB 3.71Å; G333-P483 CarbonylContact C-O 3.55Å; G333-P483 WeakPolarHBondContact CA-O 3.28Å; V334-P483 PolarHBondContact N-O 3.46Å; P483-L485 HydrophobicContact CG-CD2 4.43Å; P483-L485 PolarHBondContact O-N 3.2Å
484	K	82.5	Confident	76.6	Confident	32 Å²	32	25.6 Å²	25.6	14%	0.139	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	111.5	167.7	-175.5	-176.1	80	178.5	0	109.2	V336 L467 E487	V336-K484 HydrophobicContact CG2-CD 4.25Å; V336-K484 HydrophobicContact CG2-CG 4.22Å; L467-K484 HydrophobicContact CD1-CB 4.43Å; L467-K484 HydrophobicContact CD1-CD 3.25Å; L467-K484 HydrophobicContact CD1-CG 3.87Å; K484-E487 HydrophobicContact CD-CB 4.25Å; K484-E487 IonicContact NZ-OE2 3.99Å; K484-E487 PolarHBondContact NZ-OE2 3.47Å
485	L	83.5	Confident	77.6	Confident	14 Å²	14	28.6 Å²	28.6	7%	0.073	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	-42.1	-177.7	-62.2	174.7	0	0	0	111.9	K323 M324 V334 I335 P483	K323-L485 WeakPolarHBondContact CD-O 3.06Å; M324-L485 HydrophobicContact CB-CD1 4.09Å; M324-L485 HydrophobicContact CG-CD1 4.16Å; V334-L485 PolarHBondContact O-N 2.9Å; I335-L485 HydrophobicContact CG1-CB 4.31Å; I335-L485 HydrophobicContact CG1-CD1 4.45Å; P483-L485 HydrophobicContact CG-CD2 4.43Å; P483-L485 PolarHBondContact O-N 3.2Å
486	Y	85.4	Confident	78.5	Confident	14 Å²	14	30.8 Å²	30.8	6%	0.055	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	143.3	-175.2	-176	-106.9	0	0	0	111.5	K319 K323 V336 L337 A488	K319-Y486 HydrophobicContact CD-CE2 4.15Å; K319-Y486 HydrophobicContact CG-CE2 4.06Å; K323-Y486 HydrophobicContact CD-CD2 4.31Å; V336-Y486 PolarHBondContact N-O 3.47Å; L337-Y486 HydrophobicContact CD2-CD1 4.24Å; L337-Y486 HydrophobicContact CD2-CE1 4.06Å; Y486-A488 HydrophobicContact CE1-CB 3.85Å
487	E	84.1	Confident	79	Confident	35 Å²	35	32.1 Å²	32.1	16%	0.164	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	116	172	178.6	176.7	-175.9	0	0	109.3	P101 V336 K484	P101-E487 VanDerWaalsContact CD-OE2 3.23Å; P101-E487 WeakPolarHBondContact CD-OE2 3.43Å; P101-E487 WeakPolarHBondContact CG-OE1 3.36Å; P101-E487 WeakPolarHBondContact CG-OE2 3.48Å; V336-E487 HydrophobicContact CB-CB 4.12Å; V336-E487 HydrophobicContact CB-CG 4.06Å; V336-E487 HydrophobicContact CG1-CG 4.22Å; V336-E487 WeakPolarHBondContact O-CA 3.37Å; K484-E487 HydrophobicContact CD-CB 4.25Å; K484-E487 IonicContact NZ-OE2 3.99Å; K484-E487 PolarHBondContact NZ-OE2 3.47Å
488	A	83.6	Confident	79.5	Confident	2 Å²	2	35.5 Å²	35.5	2%	0.017	19%	0.19	C	C	.	.			trans	-70.8	141.7	178.8	0	0	0	0	0	111.7	V336 L337 Y486 L493	V336-A488 PolarHBondContact O-N 3.16Å; V336-A488 VanDerWaalsContact O-N 3.07Å; L337-A488 HydrophobicContact CD2-CB 3.76Å; Y486-A488 HydrophobicContact CE1-CB 3.85Å; A488-L493 HydrophobicContact CB-CD1 3.87Å
489	N	80.4	Confident	79.9	Confident	9 Å²	9	35.6 Å²	35.6	5%	0.048	19%	0.19	C	C	.	.			trans	-81	122.3	172.9	-171.3	2.7	0	0	0	111.2	M491 E492 L493	N489-M491 PolarHBondContact O-N 2.83Å; N489-M491 PolarHBondContact OD1-N 2.83Å; N489-E492 HydrophobicContact CB-CB 4.07Å; N489-E492 PolarHBondContact O-N 2.77Å; N489-L493 WeakPolarHBondContact O-CG 3.36Å; N489-L493 PolarHBondContact O-N 3.48Å
490	W	77.8	Confident	80.4	Confident	27 Å²	27	33.4 Å²	33.4	10%	0.102	18%	0.18	C	C	.	.	H	α-helix	trans	-59.8	-44.4	178.5	-70.2	89.1	0	0	0	112.5	P338 E492 L493 Q494 I499 Y682	P338-W490 HydrophobicContact CB-CD2 3.78Å; P338-W490 HydrophobicContact CB-CE3 3.61Å; P338-W490 HydrophobicContact CB-CH2 3.25Å; P338-W490 HydrophobicContact CB-CZ2 3.41Å; P338-W490 VanDerWaalsContact CB-CZ2 3.41Å; P338-W490 HydrophobicContact CB-CZ3 3.33Å; P338-W490 HydrophobicContact CG-CD2 4.23Å; P338-W490 HydrophobicContact CG-CE3 4.22Å; P338-W490 HydrophobicContact CG-CZ3 4.38Å; W490-E492 PolarHBondContact O-N 2.79Å; W490-L493 PolarHBondContact O-N 2.9Å; W490-Q494 WeakPolarHBondContact O-CB 3.35Å; W490-Q494 PolarHBondContact O-N 3.03Å; W490-I499 HydrophobicContact CE3-CD1 4.4Å; W490-Y682 WeakPolarHBondContact CZ3-OH 3.27Å
491	M	75.8	Confident	80.7	Confident	20 Å²	20	35.9 Å²	35.9	10%	0.099	19%	0.19	C	C	.	.	H	α-helix	trans	-64.1	-41.1	-178	-71.9	-168.8	164.4	0	0	112.6	R104 N106 N489 Q494 N495 G681	R104-M491 WeakPolarHBondContact O-CE 3.35Å; N106-M491 WeakPolarHBondContact OD1-CE 3.32Å; N489-M491 PolarHBondContact O-N 2.83Å; N489-M491 PolarHBondContact OD1-N 2.83Å; M491-Q494 PolarHBondContact O-N 3.18Å; M491-N495 VanDerWaalsContact O-CB 3.31Å; M491-N495 WeakPolarHBondContact O-CB 3.3Å; M491-N495 PolarHBondContact O-N 3.29Å; M491-N495 PolarHBondContact O-ND2 3.37Å; M491-G681 WeakPolarHBondContact CE-O 3.43Å
492	E	80.9	Confident	81	Confident	87 Å²	87	35.8 Å²	35.8	41%	0.407	19%	0.19	S	C	.	.	H	α-helix	trans	-65.6	-42.9	178.5	-172.3	-177	168.1	0	0	111.1	N489 W490 Q494 N495 N496	N489-E492 HydrophobicContact CB-CB 4.07Å; N489-E492 PolarHBondContact O-N 2.77Å; W490-E492 PolarHBondContact O-N 2.79Å; E492-Q494 VanDerWaalsContact C-N 3.29Å; E492-Q494 PolarHBondContact O-N 2.87Å; E492-N495 PolarHBondContact O-N 3.09Å; E492-N496 VanDerWaalsContact O-CB 3.25Å; E492-N496 WeakPolarHBondContact O-CB 3.14Å; E492-N496 PolarHBondContact O-N 3.39Å; E492-N496 PolarHBondContact O-ND2 2.84Å
493	L	82.9	Confident	81.4	Confident	5 Å²	5	35.8 Å²	35.8	3%	0.026	19%	0.187	C	C	.	.	H	α-helix	trans	-63.3	-36.7	175.9	-69	178.2	0	0	0	112.7	Y316 P338 A341 A488 N489 W490 G497 Y498 I499	Y316-L493 HydrophobicContact CD1-CD2 3.26Å; Y316-L493 HydrophobicContact CD2-CD2 4.08Å; Y316-L493 HydrophobicContact CE1-CD2 3.28Å; Y316-L493 HydrophobicContact CE2-CD2 4.11Å; Y316-L493 HydrophobicContact CG-CD2 3.67Å; P338-L493 HydrophobicContact CG-CD1 3.39Å; A341-L493 HydrophobicContact CB-CD1 4.24Å; A488-L493 HydrophobicContact CB-CD1 3.87Å; N489-L493 WeakPolarHBondContact O-CG 3.36Å; N489-L493 PolarHBondContact O-N 3.48Å; W490-L493 PolarHBondContact O-N 2.9Å; L493-G497 PolarHBondContact O-N 3.27Å; L493-Y498 HydrophobicContact CD2-CD2 3.89Å; L493-Y498 PolarHBondContact O-N 3.4Å; L493-I499 HydrophobicContact CB-CB 4.44Å; L493-I499 HydrophobicContact CB-CD1 3.73Å; L493-I499 HydrophobicContact CB-CG1 4Å; L493-I499 HydrophobicContact CD1-CD1 3.68Å; L493-I499 HydrophobicContact CG-CD1 4.36Å; L493-I499 PolarHBondContact O-N 3.49Å; L493-I499 VanDerWaalsContact O-N 3.13Å
494	Q	80.7	Confident	82	Confident	31 Å²	31	34.8 Å²	34.8	15%	0.145	18%	0.18	C	C	.	.	H	α-helix	trans	-71.8	-42.8	177	175.3	175.7	-19.1	0	0	112	W490 M491 E492 G497 K501	W490-Q494 WeakPolarHBondContact O-CB 3.35Å; W490-Q494 PolarHBondContact O-N 3.03Å; M491-Q494 PolarHBondContact O-N 3.18Å; E492-Q494 VanDerWaalsContact C-N 3.29Å; E492-Q494 PolarHBondContact O-N 2.87Å; Q494-G497 PolarHBondContact O-N 3.11Å; Q494-K501 HydrophobicContact CG-CB 4.19Å; Q494-K501 HydrophobicContact CG-CG 3.46Å; Q494-K501 VanDerWaalsContact CG-CG 3.46Å
495	N	81.7	Confident	82.5	Confident	107 Å²	107	33.3 Å²	33.3	57%	0.572	17%	0.174	S	C	*	.	H	α-helix	trans	-70	-36.1	179.2	-72.2	-22	0	0	0	112.3	M491 E492 G497	M491-N495 VanDerWaalsContact O-CB 3.31Å; M491-N495 WeakPolarHBondContact O-CB 3.3Å; M491-N495 PolarHBondContact O-N 3.29Å; M491-N495 PolarHBondContact O-ND2 3.37Å; E492-N495 PolarHBondContact O-N 3.09Å; N495-G497 PolarHBondContact O-N 3.4Å
496	N	82.1	Confident	82.9	Confident	94 Å²	94	32.7 Å²	32.7	50%	0.503	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-0.3	174.4	-66.9	-18.2	0	0	0	113.2	E492 Y498	E492-N496 VanDerWaalsContact O-CB 3.25Å; E492-N496 WeakPolarHBondContact O-CB 3.14Å; E492-N496 PolarHBondContact O-N 3.39Å; E492-N496 PolarHBondContact O-ND2 2.84Å; N496-Y498 VanDerWaalsContact C-N 3.31Å; N496-Y498 HydrophobicContact CB-CD2 3.74Å; N496-Y498 HydrophobicContact CB-CE2 3.69Å; N496-Y498 PolarHBondContact O-N 2.97Å
497	G	77.4	Confident	83.3	Confident	55 Å²	55	32.2 Å²	32.2	57%	0.567	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	12	175.5	0	0	0	0	0	115.3	L493 Q494 N495	L493-G497 PolarHBondContact O-N 3.27Å; Q494-G497 PolarHBondContact O-N 3.11Å; N495-G497 PolarHBondContact O-N 3.4Å
498	Y	79.8	Confident	83.9	Confident	78 Å²	78	34.4 Å²	34.4	31%	0.306	18%	0.176	S	C	.	.	S	Bend	trans	-74.7	-30.3	173.7	-62.8	-55.2	0	0	0	112.5	R314 P315 Y316 L493 N496	R314-Y498 HydrophobicContact CB-CE1 4.44Å; R314-Y498 HydrophobicContact CG-CD1 4.35Å; R314-Y498 HydrophobicContact CG-CE1 3.96Å; P315-Y498 WeakPolarHBondContact CD-OH 3.45Å; Y316-Y498 HydrophobicContact CD1-CD2 4.06Å; Y316-Y498 HydrophobicContact CD1-CE2 4.09Å; Y316-Y498 HydrophobicContact CE1-CD1 4.44Å; Y316-Y498 AromaticContact CE1-CD2 3.66Å; Y316-Y498 HydrophobicContact CE1-CD2 3.66Å; Y316-Y498 AromaticContact CE1-CE2 3.97Å; Y316-Y498 HydrophobicContact CE1-CE2 3.97Å; Y316-Y498 AromaticContact CE1-CG 3.92Å; Y316-Y498 HydrophobicContact CE1-CG 3.92Å; L493-Y498 HydrophobicContact CD2-CD2 3.89Å; L493-Y498 PolarHBondContact O-N 3.4Å; N496-Y498 VanDerWaalsContact C-N 3.31Å; N496-Y498 HydrophobicContact CB-CD2 3.74Å; N496-Y498 HydrophobicContact CB-CE2 3.69Å; N496-Y498 PolarHBondContact O-N 2.97Å
499	I	78.5	Confident	84.4	Confident	27 Å²	27	34.5 Å²	34.5	14%	0.138	18%	0.177	C	C	.	.	S	Bend	trans	-120.7	149.4	176	-62.1	-179.9	0	0	0	108.6	P338 W490 L493	P338-I499 HydrophobicContact CB-CD1 4.1Å; P338-I499 HydrophobicContact CG-CD1 3.68Å; W490-I499 HydrophobicContact CE3-CD1 4.4Å; L493-I499 HydrophobicContact CB-CB 4.44Å; L493-I499 HydrophobicContact CB-CD1 3.73Å; L493-I499 HydrophobicContact CB-CG1 4Å; L493-I499 HydrophobicContact CD1-CD1 3.68Å; L493-I499 HydrophobicContact CG-CD1 4.36Å; L493-I499 PolarHBondContact O-N 3.49Å; L493-I499 VanDerWaalsContact O-N 3.13Å
500	A	77.8	Confident	85	Confident	2 Å²	2	37 Å²	37	2%	0.017	19%	0.194	C	C	.	.			trans	-63.1	143.4	176	0	0	0	0	0	112	V502 A643 N653 A654	A500-V502 HydrophobicContact CB-CG2 4.4Å; A500-V502 PolarHBondContact O-N 3.34Å; A500-A643 HydrophobicContact CB-CB 4.15Å; A500-N653 VanDerWaalsContact CA-OD1 3.29Å; A500-N653 WeakPolarHBondContact CA-OD1 3.43Å; A500-N653 WeakPolarHBondContact CB-OD1 3.27Å; A500-A654 HydrophobicContact CB-CB 3.7Å
501	K	82.1	Confident	85.8	Confident	75 Å²	75	36.9 Å²	36.9	33%	0.326	19%	0.194	S	C	.	.			trans	-75.6	100.1	164.9	-69.4	-174.4	173.9	-177.9	0	108.5	Q494 E651 Y652 N653 A654	Q494-K501 HydrophobicContact CG-CB 4.19Å; Q494-K501 HydrophobicContact CG-CG 3.46Å; Q494-K501 VanDerWaalsContact CG-CG 3.46Å; K501-E651 WeakPolarHBondContact CD-O 3.5Å; K501-Y652 HydrophobicContact CB-CD1 4.27Å; K501-N653 PolarHBondContact N-OD1 3.06Å; K501-N653 PolarHBondContact O-N 3.5Å; K501-N653 VanDerWaalsContact O-N 3.17Å; K501-N653 PolarHBondContact O-OD1 3.01Å; K501-A654 PolarHBondContact O-N 3.49Å
502	V	85.3	Confident	86.7	Confident	4 Å²	4	36 Å²	36	2%	0.024	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	125	-177.9	-176.9	0	0	0	0	110.3	A500 L637 L641 A654 F656 Y682	A500-V502 HydrophobicContact CB-CG2 4.4Å; A500-V502 PolarHBondContact O-N 3.34Å; V502-L637 HydrophobicContact CB-CD2 4.46Å; V502-L637 HydrophobicContact CG1-CD1 4.39Å; V502-L637 HydrophobicContact CG1-CD2 4.22Å; V502-L637 HydrophobicContact CG2-CD2 4.04Å; V502-L641 HydrophobicContact CB-CD1 4.18Å; V502-L641 HydrophobicContact CG1-CD1 3.43Å; V502-L641 VanDerWaalsContact CG1-CD1 3.43Å; V502-L641 HydrophobicContact CG2-CB 4.2Å; V502-L641 HydrophobicContact CG2-CD1 3.6Å; V502-A654 WeakPolarHBondContact CA-O 3.5Å; V502-A654 HydrophobicContact CG2-CB 3.95Å; V502-F656 HydrophobicContact CG1-CB 3.96Å; V502-Y682 HydrophobicContact CB-CD1 4.29Å; V502-Y682 HydrophobicContact CB-CE1 4.34Å
503	Q	89.1	Confident	87.3	Confident	12 Å²	12	36.6 Å²	36.6	6%	0.056	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	110.9	164.3	-179.6	63.7	58.5	0	0	109.3	Y652 A654 Y655 F656 S683 K685	Q503-Y652 HydrophobicContact CB-CD1 3.9Å; Q503-Y652 HydrophobicContact CB-CD2 4.46Å; Q503-Y652 HydrophobicContact CB-CE1 4.43Å; Q503-Y652 HydrophobicContact CB-CG 3.92Å; Q503-A654 PolarHBondContact N-O 3.41Å; Q503-Y655 HydrophobicContact CB-CD1 3.94Å; Q503-Y655 HydrophobicContact CB-CE1 4.25Å; Q503-Y655 HydrophobicContact CG-CD1 4.48Å; Q503-F656 PolarHBondContact O-N 2.91Å; Q503-S683 PolarHBondContact NE2-O 2.93Å; Q503-S683 PolarHBondContact NE2-OG 3.12Å; Q503-S683 VanDerWaalsContact NE2-OG 3.14Å; Q503-S683 PolarHBondContact OE1-OG 3.47Å; Q503-K685 HydrophobicContact CG-CD 4.26Å
504	C	90.3	Very high	87.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	131.7	170.5	-61.5	0	0	0	0	109.4	F656 L677 S683 F684 K685	C504-F656 CarbonylContact C-O 3.54Å; C504-F656 WeakPolarHBondContact CA-O 3.36Å; C504-F656 HydrophobicContact CB-CD1 4.1Å; C504-L677 HydrophobicContact CB-CD1 4.4Å; C504-S683 WeakPolarHBondContact CA-O 3.36Å; C504-S683 VanDerWaalsContact CB-O 3.28Å; C504-S683 WeakPolarHBondContact CB-O 3.21Å; C504-S683 PolarHBondContact N-O 3.31Å; C504-F684 HydrophobicContact CB-CD2 3.74Å; C504-F684 HydrophobicContact CB-CE2 4.46Å; C504-F684 CarbonylContact O-C 3.58Å; C504-F684 WeakPolarHBondContact O-CA 3.32Å; C504-K685 PolarHBondContact O-N 2.76Å
505	A	92.4	Very high	88.5	Confident	2 Å²	2	38.2 Å²	38.2	2%	0.017	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	121.5	179.1	0	0	0	0	0	110.5	F656 Y657 S658 K685 I687	A505-F656 PolarHBondContact N-O 2.96Å; A505-Y657 HydrophobicContact CB-CD1 3.75Å; A505-Y657 HydrophobicContact CB-CE1 3.87Å; A505-Y657 VanDerWaalsContact O-CA 3.31Å; A505-Y657 WeakPolarHBondContact O-CA 3.11Å; A505-S658 PolarHBondContact O-N 3.46Å; A505-K685 CarbonylContact C-O 3.56Å; A505-K685 VanDerWaalsContact CA-O 3.25Å; A505-K685 WeakPolarHBondContact CA-O 3.38Å; A505-K685 HydrophobicContact CB-CD 4.28Å; A505-K685 HydrophobicContact CB-CG 3.69Å; A505-I687 HydrophobicContact CB-CD1 4.05Å
506	E	92.8	Very high	89.2	Confident	1 Å²	1	37.3 Å²	37.3	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	122.8	167.1	-85	-171.9	176.3	0	0	109.6	S658 V660 S670 R673 F684 K685 V686 I687	E506-S658 WeakPolarHBondContact CA-O 3.49Å; E506-V660 HydrophobicContact CG-CG2 4.49Å; E506-S670 VanDerWaalsContact CD-OG 3.25Å; E506-S670 WeakPolarHBondContact OE1-CB 3.48Å; E506-S670 PolarHBondContact OE1-OG 3.14Å; E506-S670 WeakPolarHBondContact OE2-CB 3.43Å; E506-S670 PolarHBondContact OE2-OG 3.03Å; E506-R673 IonicContact OE1-NH1 3.63Å; E506-R673 PolarHBondContact OE1-NH1 2.69Å; E506-F684 HydrophobicContact CB-CE1 4.42Å; E506-F684 HydrophobicContact CB-CZ 3.92Å; E506-F684 HydrophobicContact CG-CE1 4.41Å; E506-F684 HydrophobicContact CG-CE2 3.97Å; E506-F684 HydrophobicContact CG-CZ 3.46Å; E506-F684 VanDerWaalsContact CG-CZ 3.46Å; E506-K685 PolarHBondContact N-O 3.42Å; E506-V686 CarbonylContact O-C 3.55Å; E506-V686 WeakPolarHBondContact O-CA 3.43Å; E506-I687 PolarHBondContact O-N 3.33Å
507	V	94.8	Very high	89.8	Confident	3 Å²	3	40.6 Å²	40.6	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	106.6	179.5	-174.1	0	0	0	0	108.2	C509 A540 L544 Y657 S658 L659 V660 I687 L690	V507-C509 PolarHBondContact O-N 3.38Å; V507-A540 HydrophobicContact CG1-CB 4.47Å; V507-L544 HydrophobicContact CG2-CD1 4.42Å; V507-Y657 HydrophobicContact CG2-CD1 3.9Å; V507-S658 PolarHBondContact N-O 2.57Å; V507-L659 HydrophobicContact CB-CD2 3.78Å; V507-L659 HydrophobicContact CG1-CD2 4.32Å; V507-L659 HydrophobicContact CG2-CD2 4.17Å; V507-V660 PolarHBondContact O-N 3.27Å; V507-I687 CarbonylContact C-O 3.57Å; V507-I687 WeakPolarHBondContact CA-O 3.41Å; V507-I687 HydrophobicContact CG2-CB 4.36Å; V507-I687 HydrophobicContact CG2-CD1 4.48Å; V507-L690 HydrophobicContact CG1-CD1 4.09Å; V507-L690 HydrophobicContact CG1-CD2 4.35Å; V507-L690 HydrophobicContact CG1-CG 4.18Å
508	W	94.8	Very high	90.5	Very high	81 Å²	81	39.8 Å²	39.8	31%	0.307	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	119.3	179.2	-67.7	-0	0	0	0	110	V660 Q662 V686 I687 T688	W508-V660 WeakPolarHBondContact CA-O 3.42Å; W508-Q662 HydrophobicContact CB-CG 3.93Å; W508-V686 HydrophobicContact CD2-CG1 3.66Å; W508-V686 VanDerWaalsContact CE2-CG1 3.47Å; W508-V686 HydrophobicContact CE3-CG1 4.1Å; W508-V686 HydrophobicContact CG-CG1 4.09Å; W508-V686 HydrophobicContact CH2-CG1 4.22Å; W508-V686 HydrophobicContact CZ2-CG1 3.78Å; W508-V686 HydrophobicContact CZ3-CG1 4.36Å; W508-I687 PolarHBondContact N-O 2.89Å; W508-T688 HydrophobicContact CE3-CG2 4.04Å
509	C	94.2	Very high	91.2	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.027	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118	-179.3	-59.2	0	0	0	0	108.5	V507 K537 V660 S661 Q662	V507-C509 PolarHBondContact O-N 3.38Å; C509-K537 HydrophobicContact CB-CB 4.25Å; C509-V660 PolarHBondContact N-O 3.27Å; C509-S661 WeakPolarHBondContact O-CA 3.36Å; C509-Q662 PolarHBondContact O-N 3.18Å
510	P	94.9	Very high	92	Very high	63 Å²	63	40.3 Å²	40.3	41%	0.409	19%	0.194	S	C	.	.	P	Polyproline II helix	trans	-61.8	145.9	174.9	25.9	-33	0	0	0	110.1	N534 N536	P510-N534 PolarHBondContact O-ND2 2.91Å; P510-N536 VanDerWaalsContact O-CB 3.27Å; P510-N536 WeakPolarHBondContact O-CB 3.25Å; P510-N536 PolarHBondContact O-ND2 2.97Å
511	M	93.5	Very high	92.7	Very high	23 Å²	23	43.6 Å²	43.6	11%	0.113	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-76	140.7	176.7	-76.3	-70	-72.3	0	0	111.1	F515 Y516 N534 S661 Q662 T664	M511-F515 HydrophobicContact CE-CB 3.9Å; M511-Y516 HydrophobicContact CB-CD2 4.05Å; M511-Y516 HydrophobicContact CB-CG 4.47Å; M511-Y516 HydrophobicContact CG-CD2 4.22Å; M511-N534 HydrophobicContact SD-CB 3.87Å; M511-N534 PolarHBondContact SD-ND2 3.27Å; M511-N534 VanDerWaalsContact SD-ND2 3.42Å; M511-S661 VanDerWaalsContact SD-CB 3.6Å; M511-Q662 VanDerWaalsContact CG-O 3.27Å; M511-Q662 WeakPolarHBondContact CG-O 3.43Å; M511-T664 HydrophobicContact CE-CG2 4.36Å; M511-T664 HydrophobicContact CG-CG2 4Å; M511-T664 HydrophobicContact SD-CG2 4.08Å
512	S	94.4	Very high	93.1	Very high	3 Å²	3	41.9 Å²	41.9	2%	0.021	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-65.2	137.4	166.5	-69.2	0	0	0	0	110	E514 F515 Y516 Q706	S512-E514 VanDerWaalsContact C-N 3.27Å; S512-E514 PolarHBondContact O-N 3.03Å; S512-F515 PolarHBondContact O-N 3.24Å; S512-F515 VanDerWaalsContact O-N 3.14Å; S512-Y516 PolarHBondContact O-N 3.24Å; S512-Q706 PolarHBondContact OG-OE1 3.5Å
513	P	94.4	Very high	93.1	Very high	98 Å²	98	50.4 Å²	50.4	64%	0.636	25%	0.252	S	S	*	.	H	α-helix	trans	-55.6	-38.4	-175.7	-27.3	35.2	0	0	0	114.2	Y516 R517	P513-Y516 PolarHBondContact O-N 2.89Å; P513-R517 PolarHBondContact O-N 2.87Å
514	E	93.8	Very high	93	Very high	69 Å²	69	53.6 Å²	53.6	32%	0.322	27%	0.273	S	S	.	.	H	α-helix	trans	-67.3	-43.3	-179.5	-59	75.5	-167.2	0	0	111.2	S512 E518 L710	S512-E514 VanDerWaalsContact C-N 3.27Å; S512-E514 PolarHBondContact O-N 3.03Å; E514-E518 PolarHBondContact O-N 3.4Å; E514-L710 HydrophobicContact CB-CD2 3.8Å
515	F	95.1	Very high	92.6	Very high	1 Å²	1	59.4 Å²	59.4	0%	0.004	30%	0.298	C	S	.	.	H	α-helix	trans	-66.8	-39.3	175.6	-78.5	-102.1	0	0	0	111.5	M511 S512 E518 Y519 L530 M533 P535 L709 L710 V713	M511-F515 HydrophobicContact CE-CB 3.9Å; S512-F515 PolarHBondContact O-N 3.24Å; S512-F515 VanDerWaalsContact O-N 3.14Å; F515-E518 PolarHBondContact O-N 3.48Å; F515-Y519 VanDerWaalsContact O-CB 3.32Å; F515-Y519 WeakPolarHBondContact O-CB 3.46Å; F515-Y519 PolarHBondContact O-N 2.62Å; F515-L530 HydrophobicContact CD1-CD2 4.27Å; F515-M533 HydrophobicContact CE1-CB 4.46Å; F515-M533 VanDerWaalsContact CE1-O 3.32Å; F515-M533 WeakPolarHBondContact CE1-O 3.41Å; F515-P535 HydrophobicContact CD2-CG 4.07Å; F515-P535 HydrophobicContact CE2-CG 3.51Å; F515-P535 HydrophobicContact CZ-CG 3.93Å; F515-L709 HydrophobicContact CZ-CB 4.28Å; F515-L709 HydrophobicContact CZ-CD2 3.99Å; F515-L709 HydrophobicContact CZ-CG 4.06Å; F515-L710 HydrophobicContact CD1-CD1 3.96Å; F515-L710 HydrophobicContact CD2-CD1 4.26Å; F515-L710 HydrophobicContact CE1-CB 4.49Å; F515-L710 HydrophobicContact CE1-CD1 3.95Å; F515-L710 HydrophobicContact CE2-CB 3.88Å; F515-L710 HydrophobicContact CE2-CD1 4.25Å; F515-L710 HydrophobicContact CG-CD1 4.11Å; F515-L710 HydrophobicContact CZ-CB 3.84Å; F515-L710 HydrophobicContact CZ-CD1 4.09Å; F515-V713 HydrophobicContact CE1-CG2 4.43Å
516	Y	95.1	Very high	92.3	Very high	88 Å²	88	61.2 Å²	61.2	35%	0.345	31%	0.306	S	S	.	.	H	α-helix	trans	-66	-39.9	179.4	-168.1	-106.6	0	0	0	112.1	M511 S512 P513 E518 Y519 V520 D663	M511-Y516 HydrophobicContact CB-CD2 4.05Å; M511-Y516 HydrophobicContact CB-CG 4.47Å; M511-Y516 HydrophobicContact CG-CD2 4.22Å; S512-Y516 PolarHBondContact O-N 3.24Å; P513-Y516 PolarHBondContact O-N 2.89Å; Y516-E518 PolarHBondContact O-N 2.89Å; Y516-Y519 HydrophobicContact CD2-CD1 4.37Å; Y516-Y519 HydrophobicContact CE2-CD1 4.31Å; Y516-Y519 WeakPolarHBondContact O-CB 3.37Å; Y516-Y519 PolarHBondContact O-N 3.16Å; Y516-V520 HydrophobicContact CD1-CG2 4.19Å; Y516-V520 HydrophobicContact CE1-CG2 3.79Å; Y516-V520 HydrophobicContact CE2-CG2 4.34Å; Y516-V520 WeakPolarHBondContact O-CG2 3.5Å; Y516-V520 PolarHBondContact O-N 3.42Å; Y516-D663 HydrophobicContact CE2-CB 3.69Å
517	R	94.9	Very high	92.1	Very high	164 Å²	164	65 Å²	65	62%	0.619	32%	0.32	S	S	*	.	H	α-helix	trans	-58	-48.9	175.6	-172	-174.6	70.7	-167.7	-0.1	111.7	P513 Y519 A521	P513-R517 PolarHBondContact O-N 2.87Å; R517-Y519 VanDerWaalsContact C-N 3.31Å; R517-Y519 PolarHBondContact O-N 2.91Å; R517-A521 WeakPolarHBondContact O-CB 3.19Å; R517-A521 PolarHBondContact O-N 3.41Å; R517-A521 VanDerWaalsContact O-N 3.11Å
518	E	92.9	Very high	91.9	Very high	38 Å²	38	65.8 Å²	65.8	18%	0.178	32%	0.324	C	S	.	.	H	α-helix	trans	-67.6	-33.7	177.6	-58.6	-52.4	139.9	0	0	111.7	E514 F515 Y516 A521 I522 L530 L710 L714	E514-E518 PolarHBondContact O-N 3.4Å; F515-E518 PolarHBondContact O-N 3.48Å; Y516-E518 PolarHBondContact O-N 2.89Å; E518-A521 PolarHBondContact O-N 3.03Å; E518-I522 WeakPolarHBondContact O-CB 3.27Å; E518-I522 WeakPolarHBondContact O-CG1 3.39Å; E518-I522 PolarHBondContact O-N 3.37Å; E518-L530 HydrophobicContact CB-CD1 3.9Å; E518-L530 HydrophobicContact CB-CD2 4.2Å; E518-L710 HydrophobicContact CG-CD1 4.27Å; E518-L714 HydrophobicContact CG-CD2 4.38Å
519	Y	93.6	Very high	91.7	Very high	29 Å²	29	62 Å²	62	11%	0.114	31%	0.309	C	S	.	.	H	α-helix	trans	-64.8	-41.3	178.9	172.7	-100	0	0	0	112.3	F515 Y516 R517 R527 L530 Y531 T664 Q665	F515-Y519 VanDerWaalsContact O-CB 3.32Å; F515-Y519 WeakPolarHBondContact O-CB 3.46Å; F515-Y519 PolarHBondContact O-N 2.62Å; Y516-Y519 HydrophobicContact CD2-CD1 4.37Å; Y516-Y519 HydrophobicContact CE2-CD1 4.31Å; Y516-Y519 WeakPolarHBondContact O-CB 3.37Å; Y516-Y519 PolarHBondContact O-N 3.16Å; R517-Y519 VanDerWaalsContact C-N 3.31Å; R517-Y519 PolarHBondContact O-N 2.91Å; Y519-R527 HydrophobicContact CD2-CB 3.82Å; Y519-R527 HydrophobicContact CD2-CG 4.4Å; Y519-R527 HydrophobicContact CE2-CB 3.94Å; Y519-R527 HydrophobicContact CE2-CG 4Å; Y519-L530 HydrophobicContact CD2-CB 4.38Å; Y519-Y531 HydrophobicContact CD2-CD1 4.24Å; Y519-Y531 AromaticContact CE2-CD1 3.69Å; Y519-Y531 HydrophobicContact CE2-CD1 3.69Å; Y519-Y531 HydrophobicContact CE2-CE1 4.37Å; Y519-T664 HydrophobicContact CD1-CG2 4.42Å; Y519-T664 HydrophobicContact CE1-CG2 4.09Å; Y519-T664 HydrophobicContact CE2-CG2 4.48Å; Y519-Q665 PolarHBondContact OH-N 3.44Å
520	V	95.1	Very high	91.6	Very high	86 Å²	86	61.8 Å²	61.8	52%	0.521	31%	0.308	S	S	.	.	H	α-helix	trans	-72.4	-34.4	175.9	176.9	0	0	0	0	111.2	Y516	Y516-V520 HydrophobicContact CD1-CG2 4.19Å; Y516-V520 HydrophobicContact CE1-CG2 3.79Å; Y516-V520 HydrophobicContact CE2-CG2 4.34Å; Y516-V520 WeakPolarHBondContact O-CG2 3.5Å; Y516-V520 PolarHBondContact O-N 3.42Å
521	A	93.6	Very high	91.4	Very high	72 Å²	72	58.9 Å²	58.9	60%	0.595	29%	0.289	S	S	*	.	H	α-helix	trans	-69.1	-40.4	179.2	0	0	0	0	0	112.8	R517 E518	R517-A521 WeakPolarHBondContact O-CB 3.19Å; R517-A521 PolarHBondContact O-N 3.41Å; R517-A521 VanDerWaalsContact O-N 3.11Å; E518-A521 PolarHBondContact O-N 3.03Å
522	I	89.7	Confident	91.3	Very high	38 Å²	38	57.8 Å²	57.8	20%	0.195	28%	0.284	C	S	.	.			trans	-96.1	113.8	-174.2	-59.9	174.4	0	0	0	110.7	E518 T524 K526 R527 L530 L714	E518-I522 WeakPolarHBondContact O-CB 3.27Å; E518-I522 WeakPolarHBondContact O-CG1 3.39Å; E518-I522 PolarHBondContact O-N 3.37Å; I522-T524 WeakPolarHBondContact CG2-OG1 3.45Å; I522-K526 HydrophobicContact CG2-CB 4.19Å; I522-R527 WeakPolarHBondContact O-CB 2.92Å; I522-L530 HydrophobicContact CD1-CD1 4.35Å; I522-L714 HydrophobicContact CD1-CD2 4.29Å
523	K	85.7	Confident	91.2	Very high	183 Å²	183	57.8 Å²	57.8	80%	0.796	28%	0.283	S	S	*	.			trans	-90.2	-11.5	175.9	-65.4	-173.9	179.6	-178	0	114.4
524	T	86.2	Confident	91.3	Very high	80 Å²	80	53.1 Å²	53.1	49%	0.491	25%	0.253	S	S	.	.	S	Bend	trans	-73.6	172.9	179.9	63.1	0	0	0	0	112.1	I522 K526 R527	I522-T524 WeakPolarHBondContact CG2-OG1 3.45Å; T524-K526 PolarHBondContact O-N 3.24Å; T524-K526 VanDerWaalsContact O-N 3.1Å; T524-R527 WeakPolarHBondContact O-CB 3.39Å; T524-R527 WeakPolarHBondContact O-CG 3.42Å; T524-R527 PolarHBondContact O-N 2.82Å; T524-R527 VanDerWaalsContact O-N 3.11Å
525	K	83.4	Confident	91.3	Very high	122 Å²	122	49.9 Å²	49.9	53%	0.53	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.3	179.6	-70.2	-173.7	-178.4	179.7	0	113.5	R527 I528 E722	K525-R527 PolarHBondContact O-N 2.89Å; K525-I528 HydrophobicContact CB-CD1 4.39Å; K525-I528 WeakPolarHBondContact O-CB 3.21Å; K525-I528 VanDerWaalsContact O-CG1 3.22Å; K525-I528 WeakPolarHBondContact O-CG1 3.46Å; K525-I528 PolarHBondContact O-N 2.81Å; K525-E722 IonicContact NZ-OE1 3.21Å; K525-E722 PolarHBondContact NZ-OE1 2.87Å; K525-E722 VanDerWaalsContact NZ-OE1 3.07Å
526	K	85.9	Confident	91.2	Very high	39 Å²	39	51.8 Å²	51.8	17%	0.17	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-26.7	173.9	-161.1	165.7	179.3	158.8	0	114.4	I522 T524 I528 L529 V713 L714 A716 D718	I522-K526 HydrophobicContact CG2-CB 4.19Å; T524-K526 PolarHBondContact O-N 3.24Å; T524-K526 VanDerWaalsContact O-N 3.1Å; K526-I528 PolarHBondContact O-N 3.32Å; K526-I528 VanDerWaalsContact O-N 3.11Å; K526-L529 PolarHBondContact O-N 3.34Å; K526-V713 WeakPolarHBondContact CE-O 3.49Å; K526-L714 PolarHBondContact NZ-O 2.83Å; K526-A716 VanDerWaalsContact CE-O 3.23Å; K526-A716 WeakPolarHBondContact CE-O 3.45Å; K526-A716 PolarHBondContact NZ-O 3.46Å; K526-D718 WeakPolarHBondContact CB-OD1 3.49Å; K526-D718 PolarHBondContact N-OD1 2.92Å
527	R	88.8	Confident	91.2	Very high	82 Å²	82	47.6 Å²	47.6	31%	0.309	23%	0.232	S	C	.	.	H	α-helix	trans	-58	-23.6	174.4	82.9	-176.7	-172.6	-170.3	-1.6	113.4	Y519 I522 T524 K525 L529 L530 Y531	Y519-R527 HydrophobicContact CD2-CB 3.82Å; Y519-R527 HydrophobicContact CD2-CG 4.4Å; Y519-R527 HydrophobicContact CE2-CB 3.94Å; Y519-R527 HydrophobicContact CE2-CG 4Å; I522-R527 WeakPolarHBondContact O-CB 2.92Å; T524-R527 WeakPolarHBondContact O-CB 3.39Å; T524-R527 WeakPolarHBondContact O-CG 3.42Å; T524-R527 PolarHBondContact O-N 2.82Å; T524-R527 VanDerWaalsContact O-N 3.11Å; K525-R527 PolarHBondContact O-N 2.89Å; R527-L529 VanDerWaalsContact C-N 3.31Å; R527-L529 PolarHBondContact O-N 3.41Å; R527-L530 PolarHBondContact O-N 2.82Å; R527-Y531 WeakPolarHBondContact O-CD1 3.46Å; R527-Y531 PolarHBondContact O-N 3.1Å
528	I	89	Confident	91.2	Very high	19 Å²	19	40 Å²	40	10%	0.097	20%	0.203	C	C	.	.	H	α-helix	trans	-58.7	-43.8	174.6	-65.1	170.8	0	0	0	110.9	K525 K526 L530 Y531 T532	K525-I528 HydrophobicContact CB-CD1 4.39Å; K525-I528 WeakPolarHBondContact O-CB 3.21Å; K525-I528 VanDerWaalsContact O-CG1 3.22Å; K525-I528 WeakPolarHBondContact O-CG1 3.46Å; K525-I528 PolarHBondContact O-N 2.81Å; K526-I528 PolarHBondContact O-N 3.32Å; K526-I528 VanDerWaalsContact O-N 3.11Å; I528-L530 VanDerWaalsContact C-N 3.3Å; I528-L530 PolarHBondContact O-N 2.99Å; I528-Y531 VanDerWaalsContact CA-CE1 3.41Å; I528-Y531 HydrophobicContact CB-CE1 4.3Å; I528-Y531 HydrophobicContact CG1-CE1 4.28Å; I528-T532 WeakPolarHBondContact O-CB 3.18Å; I528-T532 PolarHBondContact O-N 3.39Å; I528-T532 PolarHBondContact O-OG1 3.44Å
529	L	90.4	Very high	91.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66	-34.3	177.7	-70.9	174.4	0	0	0	112.1	K526 R527 T532 M533 N561 F563 V713 A716 D720 A721	K526-L529 PolarHBondContact O-N 3.34Å; R527-L529 VanDerWaalsContact C-N 3.31Å; R527-L529 PolarHBondContact O-N 3.41Å; L529-T532 PolarHBondContact O-N 2.88Å; L529-M533 VanDerWaalsContact O-CB 3.23Å; L529-M533 WeakPolarHBondContact O-CB 3.47Å; L529-M533 WeakPolarHBondContact O-CG 3.33Å; L529-M533 PolarHBondContact O-N 3.32Å; L529-N561 WeakPolarHBondContact CD2-ND2 3.47Å; L529-F563 HydrophobicContact CD2-CD1 3.94Å; L529-V713 HydrophobicContact CB-CG1 3.9Å; L529-A716 HydrophobicContact CD1-CB 3.95Å; L529-D720 HydrophobicContact CD1-CB 4.37Å; L529-A721 HydrophobicContact CD1-CB 3.78Å; L529-A721 HydrophobicContact CG-CB 3.68Å
530	L	92.1	Very high	91.3	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-65.5	-42.4	-175	-68.1	171.4	0	0	0	112.9	F515 E518 Y519 I522 R527 I528 L710 V713	F515-L530 HydrophobicContact CD1-CD2 4.27Å; E518-L530 HydrophobicContact CB-CD1 3.9Å; E518-L530 HydrophobicContact CB-CD2 4.2Å; Y519-L530 HydrophobicContact CD2-CB 4.38Å; I522-L530 HydrophobicContact CD1-CD1 4.35Å; R527-L530 PolarHBondContact O-N 2.82Å; I528-L530 VanDerWaalsContact C-N 3.3Å; I528-L530 PolarHBondContact O-N 2.99Å; L530-L710 HydrophobicContact CD2-CD1 4.1Å; L530-V713 HydrophobicContact CD2-CG1 3.77Å; L530-V713 HydrophobicContact CG-CG1 4.41Å
531	Y	91.9	Very high	91.3	Very high	1 Å²	1	34.7 Å²	34.7	0%	0.004	17%	0.173	C	C	.	.	H	α-helix	trans	-82	-20.5	175.6	65.6	-111.2	0	0	0	113.4	Y519 R527 I528 K537 H626 S661 T664 Q665 E666	Y519-Y531 HydrophobicContact CD2-CD1 4.24Å; Y519-Y531 AromaticContact CE2-CD1 3.69Å; Y519-Y531 HydrophobicContact CE2-CD1 3.69Å; Y519-Y531 HydrophobicContact CE2-CE1 4.37Å; R527-Y531 WeakPolarHBondContact O-CD1 3.46Å; R527-Y531 PolarHBondContact O-N 3.1Å; I528-Y531 VanDerWaalsContact CA-CE1 3.41Å; I528-Y531 HydrophobicContact CB-CE1 4.3Å; I528-Y531 HydrophobicContact CG1-CE1 4.28Å; Y531-K537 PolarHBondContact O-NZ 3.06Å; Y531-H626 PolarHBondContact OH-ND1 3.07Å; Y531-S661 PolarHBondContact O-OG 2.94Å; Y531-T664 HydrophobicContact CG-CG2 4.47Å; Y531-Q665 HydrophobicContact CD1-CG 4.25Å; Y531-Q665 HydrophobicContact CE1-CG 3.54Å; Y531-Q665 PolarHBondContact OH-NE2 3.26Å; Y531-E666 HydrophobicContact CD2-CG 3.45Å; Y531-E666 VanDerWaalsContact CD2-CG 3.45Å; Y531-E666 WeakPolarHBondContact CD2-OE1 3.41Å; Y531-E666 HydrophobicContact CE2-CG 3.44Å; Y531-E666 VanDerWaalsContact CE2-CG 3.44Å; Y531-E666 WeakPolarHBondContact CE2-OE1 3.39Å; Y531-E666 HydrophobicContact CG-CG 4.17Å
532	T	91.6	Very high	91.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	15%	0.147	C	C	.	.	H	α-helix	trans	-76.3	-40	175.9	-57.1	0	0	0	0	111	I528 L529 N534 A564 Y568	I528-T532 WeakPolarHBondContact O-CB 3.18Å; I528-T532 PolarHBondContact O-N 3.39Å; I528-T532 PolarHBondContact O-OG1 3.44Å; L529-T532 PolarHBondContact O-N 2.88Å; T532-N534 VanDerWaalsContact C-N 3.3Å; T532-N534 PolarHBondContact O-N 3.35Å; T532-A564 HydrophobicContact CG2-CB 3.57Å; T532-Y568 PolarHBondContact O-OH 2.86Å
533	M	92.7	Very high	91.6	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.015	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.4	25.6	-178.4	-62.1	-56.7	-61	0	0	113.2	F515 L529 P535 F563 A564 E567 Y568 L709 V713	F515-M533 HydrophobicContact CE1-CB 4.46Å; F515-M533 VanDerWaalsContact CE1-O 3.32Å; F515-M533 WeakPolarHBondContact CE1-O 3.41Å; L529-M533 VanDerWaalsContact O-CB 3.23Å; L529-M533 WeakPolarHBondContact O-CB 3.47Å; L529-M533 WeakPolarHBondContact O-CG 3.33Å; L529-M533 PolarHBondContact O-N 3.32Å; M533-P535 WeakPolarHBondContact O-CD 3.28Å; M533-F563 HydrophobicContact CG-CE1 4.46Å; M533-A564 VanDerWaalsContact SD-CA 3.57Å; M533-A564 HydrophobicContact SD-CB 3.49Å; M533-A564 WeakPolarHBondContact SD-CB 3.23Å; M533-E567 HydrophobicContact CE-CB 3.82Å; M533-E567 HydrophobicContact CE-CG 3.6Å; M533-Y568 HydrophobicContact CE-CE2 4.3Å; M533-Y568 HydrophobicContact SD-CD2 4.44Å; M533-Y568 HydrophobicContact SD-CE2 3.97Å; M533-L709 HydrophobicContact CE-CD1 3.78Å; M533-L709 WeakPolarHBondContact O-CD2 3.46Å; M533-V713 HydrophobicContact CB-CG2 3.66Å; M533-V713 HydrophobicContact CG-CG2 3.84Å
534	N	94.8	Very high	92.1	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.103	C	C	.	.			trans	-62.8	123.6	175.6	177.7	5.9	0	0	0	110.5	P510 M511 T532 N536 K537 F538 S661	P510-N534 PolarHBondContact O-ND2 2.91Å; M511-N534 HydrophobicContact SD-CB 3.87Å; M511-N534 PolarHBondContact SD-ND2 3.27Å; M511-N534 VanDerWaalsContact SD-ND2 3.42Å; T532-N534 VanDerWaalsContact C-N 3.3Å; T532-N534 PolarHBondContact O-N 3.35Å; N534-N536 VanDerWaalsContact C-N 3.26Å; N534-N536 PolarHBondContact O-N 2.96Å; N534-N536 PolarHBondContact OD1-N 2.93Å; N534-N536 VanDerWaalsContact OD1-N 3.08Å; N534-K537 HydrophobicContact CB-CB 3.9Å; N534-K537 WeakPolarHBondContact O-CA 3.47Å; N534-K537 VanDerWaalsContact O-CB 3.31Å; N534-K537 WeakPolarHBondContact O-CB 3.24Å; N534-K537 PolarHBondContact O-N 3.1Å; N534-F538 PolarHBondContact O-N 3.04Å; N534-F538 VanDerWaalsContact O-N 3.08Å; N534-S661 PolarHBondContact ND2-OG 3.4Å
535	P	94.9	Very high	92.5	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-56.7	-37.1	177.5	-25.1	33.1	0	0	0	113.7	F515 M533 K537 F538 R539 F700 Q706 L709	F515-P535 HydrophobicContact CD2-CG 4.07Å; F515-P535 HydrophobicContact CE2-CG 3.51Å; F515-P535 HydrophobicContact CZ-CG 3.93Å; M533-P535 WeakPolarHBondContact O-CD 3.28Å; P535-K537 VanDerWaalsContact C-N 3.3Å; P535-K537 PolarHBondContact O-N 3.39Å; P535-F538 WeakPolarHBondContact O-CB 3.41Å; P535-F538 PolarHBondContact O-N 3.07Å; P535-R539 WeakPolarHBondContact O-CG 3.5Å; P535-R539 PolarHBondContact O-N 3.15Å; P535-F700 HydrophobicContact CB-CB 4.06Å; P535-F700 HydrophobicContact CB-CG 4.24Å; P535-Q706 HydrophobicContact CB-CG 3.89Å; P535-Q706 HydrophobicContact CG-CB 4.21Å; P535-Q706 HydrophobicContact CG-CG 3.88Å; P535-L709 HydrophobicContact CG-CD2 4.18Å
536	N	93.6	Very high	93	Very high	42 Å²	42	16.2 Å²	16.2	23%	0.225	7%	0.069	C	C	.	.	H	α-helix	trans	-66.9	-34.7	178.2	-66.8	-34.3	0	0	0	111.7	P510 N534 R539 A540	P510-N536 VanDerWaalsContact O-CB 3.27Å; P510-N536 WeakPolarHBondContact O-CB 3.25Å; P510-N536 PolarHBondContact O-ND2 2.97Å; N534-N536 VanDerWaalsContact C-N 3.26Å; N534-N536 PolarHBondContact O-N 2.96Å; N534-N536 PolarHBondContact OD1-N 2.93Å; N534-N536 VanDerWaalsContact OD1-N 3.08Å; N536-R539 PolarHBondContact O-N 3.29Å; N536-A540 PolarHBondContact O-N 2.84Å
537	K	94.1	Very high	93.3	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-64.9	-41.2	172.6	-173	179.6	-74.3	-168.2	0	111.1	C509 Y531 N534 P535 A540 C541 I623 L659 S661 E666	C509-K537 HydrophobicContact CB-CB 4.25Å; Y531-K537 PolarHBondContact O-NZ 3.06Å; N534-K537 HydrophobicContact CB-CB 3.9Å; N534-K537 WeakPolarHBondContact O-CA 3.47Å; N534-K537 VanDerWaalsContact O-CB 3.31Å; N534-K537 WeakPolarHBondContact O-CB 3.24Å; N534-K537 PolarHBondContact O-N 3.1Å; P535-K537 VanDerWaalsContact C-N 3.3Å; P535-K537 PolarHBondContact O-N 3.39Å; K537-A540 PolarHBondContact O-N 2.84Å; K537-C541 WeakPolarHBondContact O-CB 3.46Å; K537-C541 PolarHBondContact O-N 3.01Å; K537-I623 HydrophobicContact CD-CG2 3.95Å; K537-I623 PolarHBondContact NZ-O 3.12Å; K537-L659 HydrophobicContact CD-CB 4.06Å; K537-L659 VanDerWaalsContact CE-O 3.27Å; K537-L659 WeakPolarHBondContact CE-O 3.27Å; K537-L659 HydrophobicContact CG-CB 3.77Å; K537-L659 HydrophobicContact CG-CD1 4Å; K537-L659 PolarHBondContact NZ-O 3.11Å; K537-L659 VanDerWaalsContact NZ-O 3.12Å; K537-S661 VanDerWaalsContact CE-OG 3.22Å; K537-S661 WeakPolarHBondContact CE-OG 3.31Å; K537-E666 IonicContact NZ-OE1 2.62Å; K537-E666 PolarHBondContact NZ-OE1 3.07Å; K537-E666 IonicContact NZ-OE2 3.07Å; K537-E666 PolarHBondContact NZ-OE2 3.35Å
538	F	95.1	Very high	93.5	Very high	4 Å²	4	13.4 Å²	13.4	2%	0.018	6%	0.059	C	C	.	.	H	α-helix	trans	-61.1	-45.2	173.9	-173.9	-78	0	0	0	112	N534 P535 A540 C541 Q542 Y568 R571 L572 M699 F700	N534-F538 PolarHBondContact O-N 3.04Å; N534-F538 VanDerWaalsContact O-N 3.08Å; P535-F538 WeakPolarHBondContact O-CB 3.41Å; P535-F538 PolarHBondContact O-N 3.07Å; F538-A540 PolarHBondContact O-N 2.67Å; F538-C541 WeakPolarHBondContact O-CB 3.42Å; F538-C541 PolarHBondContact O-N 3.21Å; F538-Q542 HydrophobicContact CE1-CB 4.47Å; F538-Q542 WeakPolarHBondContact O-CB 3.42Å; F538-Q542 PolarHBondContact O-N 3.15Å; F538-Y568 HydrophobicContact CB-CE1 4.05Å; F538-Y568 AromaticContact CD2-CD1 3.6Å; F538-Y568 HydrophobicContact CD2-CD1 3.6Å; F538-Y568 HydrophobicContact CD2-CD2 4.19Å; F538-Y568 AromaticContact CD2-CE1 3.62Å; F538-Y568 HydrophobicContact CD2-CE1 3.62Å; F538-Y568 HydrophobicContact CD2-CE2 4.24Å; F538-Y568 AromaticContact CD2-CG 3.93Å; F538-Y568 HydrophobicContact CD2-CG 3.93Å; F538-Y568 AromaticContact CD2-CZ 3.97Å; F538-Y568 HydrophobicContact CE2-CD1 4.02Å; F538-Y568 HydrophobicContact CE2-CE1 4.48Å; F538-Y568 HydrophobicContact CE2-CG 4.13Å; F538-Y568 HydrophobicContact CG-CD1 4.44Å; F538-Y568 HydrophobicContact CG-CE1 4.14Å; F538-R571 HydrophobicContact CE2-CB 4.07Å; F538-R571 HydrophobicContact CZ-CB 3.78Å; F538-L572 HydrophobicContact CE1-CD2 3.98Å; F538-L572 HydrophobicContact CE1-CG 4.43Å; F538-L572 HydrophobicContact CE2-CG 4.31Å; F538-L572 HydrophobicContact CZ-CD1 4.3Å; F538-L572 HydrophobicContact CZ-CD2 3.75Å; F538-L572 HydrophobicContact CZ-CG 3.75Å; F538-M699 HydrophobicContact CD1-CB 4.4Å; F538-M699 HydrophobicContact CE1-CB 3.85Å; F538-M699 HydrophobicContact CE1-CG 4.2Å; F538-F700 HydrophobicContact CB-CD2 4.21Å; F538-F700 HydrophobicContact CB-CE2 4.09Å; F538-F700 AromaticContact CD1-CD2 3.55Å; F538-F700 HydrophobicContact CD1-CD2 3.55Å; F538-F700 AromaticContact CD1-CE2 3.5Å; F538-F700 HydrophobicContact CD1-CE2 3.5Å; F538-F700 VanDerWaalsContact CD1-CE2 3.5Å; F538-F700 AromaticContact CD2-CE2 3.86Å; F538-F700 HydrophobicContact CD2-CE2 3.86Å; F538-F700 HydrophobicContact CE1-CD2 4.06Å; F538-F700 AromaticContact CE1-CE2 3.81Å; F538-F700 HydrophobicContact CE1-CE2 3.81Å; F538-F700 HydrophobicContact CE2-CE2 4.1Å; F538-F700 AromaticContact CG-CD2 3.9Å; F538-F700 HydrophobicContact CG-CD2 3.9Å; F538-F700 AromaticContact CG-CE2 3.54Å; F538-F700 HydrophobicContact CG-CE2 3.54Å; F538-F700 HydrophobicContact CZ-CE2 4.1Å
539	R	93.9	Very high	93.6	Very high	39 Å²	39	15 Å²	15	15%	0.147	7%	0.066	C	C	.	.	H	α-helix	trans	-59.6	-45.8	177.2	-70.7	172.6	70.6	90.4	-1.1	111.8	P535 N536 C541 Q542 F543 L698 M699	P535-R539 WeakPolarHBondContact O-CG 3.5Å; P535-R539 PolarHBondContact O-N 3.15Å; N536-R539 PolarHBondContact O-N 3.29Å; R539-C541 PolarHBondContact O-N 3.35Å; R539-Q542 PolarHBondContact O-N 3.01Å; R539-F543 WeakPolarHBondContact O-CB 3.33Å; R539-F543 PolarHBondContact O-N 3.26Å; R539-L698 HydrophobicContact CB-CD1 4.28Å; R539-L698 HydrophobicContact CG-CB 4.42Å; R539-L698 PolarHBondContact NH1-O 3.03Å; R539-M699 VanDerWaalsContact CG-O 3.27Å; R539-M699 WeakPolarHBondContact CG-O 3.26Å; R539-M699 PolarHBondContact NH1-O 3.36Å
540	A	94.7	Very high	93.7	Very high	3 Å²	3	22.7 Å²	22.7	3%	0.025	10%	0.095	C	C	.	.	H	α-helix	trans	-60.8	-43.8	175.5	0	0	0	0	0	111.9	V507 N536 K537 F538 F543 L544 L659 L690	V507-A540 HydrophobicContact CG1-CB 4.47Å; N536-A540 PolarHBondContact O-N 2.84Å; K537-A540 PolarHBondContact O-N 2.84Å; F538-A540 PolarHBondContact O-N 2.67Å; A540-F543 PolarHBondContact O-N 2.91Å; A540-L544 WeakPolarHBondContact O-CG 3.29Å; A540-L544 PolarHBondContact O-N 3.04Å; A540-L659 HydrophobicContact CB-CD2 4.43Å; A540-L690 HydrophobicContact CB-CD1 3.79Å
541	C	94.9	Very high	93.5	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.9	-48.9	175.7	-172.2	0	0	0	0	111.8	K537 F538 R539 F543 L544 I545 Y568 L659	K537-C541 WeakPolarHBondContact O-CB 3.46Å; K537-C541 PolarHBondContact O-N 3.01Å; F538-C541 WeakPolarHBondContact O-CB 3.42Å; F538-C541 PolarHBondContact O-N 3.21Å; R539-C541 PolarHBondContact O-N 3.35Å; C541-F543 VanDerWaalsContact C-N 3.35Å; C541-F543 PolarHBondContact O-N 3.39Å; C541-L544 PolarHBondContact O-N 3.02Å; C541-I545 VanDerWaalsContact O-CG1 3.29Å; C541-I545 WeakPolarHBondContact O-CG1 3.44Å; C541-I545 PolarHBondContact O-N 3.15Å; C541-Y568 HydrophobicContact CB-CD1 4.46Å; C541-Y568 HydrophobicContact CB-CE1 4.08Å; C541-L659 HydrophobicContact CB-CD1 3.66Å
542	Q	95.1	Very high	93.4	Very high	11 Å²	11	33 Å²	33	5%	0.051	14%	0.143	C	C	.	.	H	α-helix	trans	-60	-44.2	178.3	-177	179.5	19.2	0	0	112	F538 R539 I545 R546 L572 L698	F538-Q542 HydrophobicContact CE1-CB 4.47Å; F538-Q542 WeakPolarHBondContact O-CB 3.42Å; F538-Q542 PolarHBondContact O-N 3.15Å; R539-Q542 PolarHBondContact O-N 3.01Å; Q542-I545 PolarHBondContact O-N 3.15Å; Q542-R546 VanDerWaalsContact NE2-NH2 3.19Å; Q542-R546 PolarHBondContact O-N 2.84Å; Q542-R546 VanDerWaalsContact O-N 3.1Å; Q542-L572 HydrophobicContact CB-CD2 4.03Å; Q542-L572 HydrophobicContact CG-CD2 3.78Å; Q542-L698 HydrophobicContact CB-CD2 4.24Å; Q542-L698 HydrophobicContact CG-CD2 3.95Å
543	F	95.4	Very high	93.3	Very high	11 Å²	11	33.3 Å²	33.3	5%	0.048	15%	0.145	C	C	.	.	H	α-helix	trans	-60.1	-50.1	177.3	176.3	-93.1	0	0	0	111.5	R539 A540 C541 I545 R546 F547 L690 A691 M693 E696 L698	R539-F543 WeakPolarHBondContact O-CB 3.33Å; R539-F543 PolarHBondContact O-N 3.26Å; A540-F543 PolarHBondContact O-N 2.91Å; C541-F543 VanDerWaalsContact C-N 3.35Å; C541-F543 PolarHBondContact O-N 3.39Å; F543-I545 VanDerWaalsContact C-N 3.32Å; F543-I545 PolarHBondContact O-N 2.68Å; F543-R546 PolarHBondContact O-N 2.76Å; F543-F547 HydrophobicContact CE1-CB 4.48Å; F543-F547 VanDerWaalsContact O-CB 3.25Å; F543-F547 WeakPolarHBondContact O-CB 3.28Å; F543-F547 PolarHBondContact O-N 3.07Å; F543-L690 HydrophobicContact CD1-CB 4.01Å; F543-L690 HydrophobicContact CD1-CD1 3.81Å; F543-L690 HydrophobicContact CD1-CD2 4.35Å; F543-L690 HydrophobicContact CD1-CG 4.28Å; F543-L690 HydrophobicContact CE1-CB 3.92Å; F543-L690 HydrophobicContact CE1-CD1 4.46Å; F543-L690 HydrophobicContact CE1-CD2 4.31Å; F543-L690 HydrophobicContact CE1-CG 4.46Å; F543-L690 HydrophobicContact CG-CD1 4.47Å; F543-A691 WeakPolarHBondContact CZ-O 3.22Å; F543-M693 HydrophobicContact CB-CG 4.5Å; F543-M693 HydrophobicContact CD2-CB 4.29Å; F543-M693 HydrophobicContact CD2-CG 4.39Å; F543-M693 HydrophobicContact CG-CG 4.46Å; F543-E696 HydrophobicContact CD2-CG 4.36Å; F543-E696 HydrophobicContact CE2-CG 4.37Å; F543-L698 HydrophobicContact CB-CD2 4.28Å
544	L	94.9	Very high	93.2	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	15%	0.151	C	C	.	.	H	α-helix	trans	-61.9	-39.5	179.8	-71.4	174	0	0	0	112.3	V507 A540 C541 F547 H548 I621 Y657 L659 L690	V507-L544 HydrophobicContact CG2-CD1 4.42Å; A540-L544 WeakPolarHBondContact O-CG 3.29Å; A540-L544 PolarHBondContact O-N 3.04Å; C541-L544 PolarHBondContact O-N 3.02Å; L544-F547 PolarHBondContact O-N 2.82Å; L544-H548 PolarHBondContact O-CD2 3.25Å; L544-H548 PolarHBondContact O-N 2.95Å; L544-H548 VanDerWaalsContact O-N 3.11Å; L544-I621 HydrophobicContact CB-CD1 3.8Å; L544-Y657 HydrophobicContact CD1-CD1 3.95Å; L544-Y657 HydrophobicContact CD1-CD2 4.24Å; L544-Y657 HydrophobicContact CD1-CE1 4.49Å; L544-Y657 HydrophobicContact CD1-CG 3.8Å; L544-Y657 HydrophobicContact CD2-CD1 4.18Å; L544-Y657 HydrophobicContact CD2-CE1 3.88Å; L544-Y657 HydrophobicContact CD2-CE2 4.24Å; L544-Y657 HydrophobicContact CD2-CG 4.48Å; L544-L659 HydrophobicContact CD1-CD2 3.92Å; L544-L690 HydrophobicContact CD2-CD2 4.08Å
545	I	94.9	Very high	93.1	Very high	5 Å²	5	34.8 Å²	34.8	3%	0.026	15%	0.151	C	C	.	.	H	α-helix	trans	-59.4	-53.3	175.5	-70	165	0	0	0	110	C541 Q542 F543 F547 H548 E549 I555 V557 L572 T601 F603 I621	C541-I545 VanDerWaalsContact O-CG1 3.29Å; C541-I545 WeakPolarHBondContact O-CG1 3.44Å; C541-I545 PolarHBondContact O-N 3.15Å; Q542-I545 PolarHBondContact O-N 3.15Å; F543-I545 VanDerWaalsContact C-N 3.32Å; F543-I545 PolarHBondContact O-N 2.68Å; I545-F547 VanDerWaalsContact C-N 3.34Å; I545-F547 PolarHBondContact O-N 3.41Å; I545-H548 PolarHBondContact O-N 3.14Å; I545-E549 HydrophobicContact CG2-CG 4.19Å; I545-E549 WeakPolarHBondContact O-CB 3.21Å; I545-E549 VanDerWaalsContact O-CG 3.32Å; I545-E549 WeakPolarHBondContact O-CG 3.06Å; I545-E549 PolarHBondContact O-N 3.1Å; I545-I555 HydrophobicContact CG2-CD1 4.35Å; I545-I555 WeakPolarHBondContact O-CD1 3.25Å; I545-V557 HydrophobicContact CD1-CG2 4.03Å; I545-V557 HydrophobicContact CG1-CG2 4.26Å; I545-L572 HydrophobicContact CD1-CD1 3.79Å; I545-T601 HydrophobicContact CD1-CG2 4.35Å; I545-T601 HydrophobicContact CG1-CG2 4.35Å; I545-T601 HydrophobicContact CG2-CG2 4.21Å; I545-F603 HydrophobicContact CD1-CE2 4.44Å; I545-F603 HydrophobicContact CD1-CZ 4.11Å; I545-I621 HydrophobicContact CG1-CD1 4.09Å
546	R	94	Very high	93	Very high	76 Å²	76	34.9 Å²	34.9	29%	0.287	15%	0.151	S	C	.	.	H	α-helix	trans	-63.1	-39.9	-179.3	-72.4	-177.9	175.7	171.9	2.8	112.7	Q542 F543 H548 E549 R550 E696 D697	Q542-R546 VanDerWaalsContact NE2-NH2 3.19Å; Q542-R546 PolarHBondContact O-N 2.84Å; Q542-R546 VanDerWaalsContact O-N 3.1Å; F543-R546 PolarHBondContact O-N 2.76Å; R546-H548 VanDerWaalsContact C-N 3.3Å; R546-H548 PolarHBondContact O-N 2.87Å; R546-E549 PolarHBondContact O-N 2.83Å; R546-R550 WeakPolarHBondContact O-CG 3.5Å; R546-R550 PolarHBondContact O-N 2.68Å; R546-R550 VanDerWaalsContact O-N 3.09Å; R546-E696 WeakPolarHBondContact CD-OE2 3.32Å; R546-E696 IonicContact NH1-OE2 3.91Å; R546-E696 PolarHBondContact NH1-OE2 3.34Å; R546-D697 PolarHBondContact NH1-O 3.06Å; R546-D697 PolarHBondContact NH2-O 3.26Å; R546-D697 VanDerWaalsContact NH2-O 3.15Å
547	F	93.4	Very high	93	Very high	62 Å²	62	32.9 Å²	32.9	27%	0.272	14%	0.141	S	C	.	.	H	α-helix	trans	-59	-39.8	177.8	177.7	-102.8	0	0	0	112.5	F543 L544 I545 R551	F543-F547 HydrophobicContact CE1-CB 4.48Å; F543-F547 VanDerWaalsContact O-CB 3.25Å; F543-F547 WeakPolarHBondContact O-CB 3.28Å; F543-F547 PolarHBondContact O-N 3.07Å; L544-F547 PolarHBondContact O-N 2.82Å; I545-F547 VanDerWaalsContact C-N 3.34Å; I545-F547 PolarHBondContact O-N 3.41Å; F547-R551 VanDerWaalsContact CD2-NH1 3.27Å; F547-R551 VanDerWaalsContact CE1-CZ 3.45Å; F547-R551 VanDerWaalsContact CG-NH1 3.3Å; F547-R551 PolarHBondContact O-NH1 2.88Å
548	H	92.1	Very high	92.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-87	-27.7	177.8	-78.9	-69.9	0	0	0	113.8	L544 I545 R546 R550 R551 N552 D553 I555 V619 Y655 Y657	L544-H548 PolarHBondContact O-CD2 3.25Å; L544-H548 PolarHBondContact O-N 2.95Å; L544-H548 VanDerWaalsContact O-N 3.11Å; I545-H548 PolarHBondContact O-N 3.14Å; R546-H548 VanDerWaalsContact C-N 3.3Å; R546-H548 PolarHBondContact O-N 2.87Å; H548-R550 VanDerWaalsContact C-N 3.26Å; H548-R550 PolarHBondContact O-N 2.83Å; H548-R551 CarbonylContact O-C 3.46Å; H548-R551 WeakPolarHBondContact O-CA 3.13Å; H548-R551 WeakPolarHBondContact O-CB 3.38Å; H548-R551 PolarHBondContact O-N 2.77Å; H548-N552 PolarHBondContact O-N 3.39Å; H548-D553 HydrophobicContact CB-CB 4.21Å; H548-D553 IonicContact CE1-OD2 3.74Å; H548-D553 IonicContact CG-OD2 2.95Å; H548-D553 IonicContact ND1-OD2 3.96Å; H548-D553 PolarHBondContact ND1-OD2 2.96Å; H548-D553 PolarHBondContact O-N 3.27Å; H548-D553 VanDerWaalsContact O-N 3.09Å; H548-I555 HydrophobicContact CB-CD1 3.46Å; H548-I555 VanDerWaalsContact CB-CD1 3.46Å; H548-I555 HydrophobicContact CB-CG1 3.95Å; H548-V619 HydrophobicContact CB-CG2 4.17Å; H548-V619 WeakPolarHBondContact ND1-CG2 3.45Å; H548-Y655 AromaticContact CE1-CD2 3.57Å; H548-Y655 AromaticContact CE1-CE2 3.94Å; H548-Y657 AromaticContact NE2-CE2 3.35Å; H548-Y657 VanDerWaalsContact NE2-CE2 3.35Å; H548-Y657 WeakPolarHBondContact NE2-CE2 3.2Å; H548-Y657 AromaticContact NE2-CZ 3.73Å; H548-Y657 PolarHBondContact NE2-OH 2.83Å
549	E	91.4	Very high	92.6	Very high	53 Å²	53	33 Å²	33	25%	0.248	14%	0.141	C	C	.	.	H	α-helix	trans	-61.1	-37.3	170.3	-77.8	-174.6	149.9	0	0	111.2	I545 R546 R551 N552 I555 K574 T601	I545-E549 HydrophobicContact CG2-CG 4.19Å; I545-E549 WeakPolarHBondContact O-CB 3.21Å; I545-E549 VanDerWaalsContact O-CG 3.32Å; I545-E549 WeakPolarHBondContact O-CG 3.06Å; I545-E549 PolarHBondContact O-N 3.1Å; R546-E549 PolarHBondContact O-N 2.83Å; E549-R551 PolarHBondContact O-N 2.95Å; E549-N552 PolarHBondContact O-N 3.45Å; E549-N552 PolarHBondContact O-OD1 3.31Å; E549-I555 HydrophobicContact CG-CD1 4.1Å; E549-K574 IonicContact OE1-NZ 2.91Å; E549-K574 PolarHBondContact OE1-NZ 2.69Å; E549-K574 IonicContact OE2-NZ 2.66Å; E549-K574 PolarHBondContact OE2-NZ 3.33Å; E549-T601 PolarHBondContact OE1-OG1 2.69Å
550	R	91.3	Very high	92.3	Very high	161 Å²	161	31.4 Å²	31.4	61%	0.608	14%	0.135	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-28.5	172.4	-72.1	176.4	-169.5	140.2	16	113.7	R546 H548 N552 E696	R546-R550 WeakPolarHBondContact O-CG 3.5Å; R546-R550 PolarHBondContact O-N 2.68Å; R546-R550 VanDerWaalsContact O-N 3.09Å; H548-R550 VanDerWaalsContact C-N 3.26Å; H548-R550 PolarHBondContact O-N 2.83Å; R550-N552 VanDerWaalsContact C-N 3.3Å; R550-E696 IonicContact CZ-OE1 3.57Å; R550-E696 IonicContact NH1-OE1 3.51Å; R550-E696 PolarHBondContact NH1-OE1 3.2Å; R550-E696 IonicContact NH2-OE1 3.28Å; R550-E696 PolarHBondContact NH2-OE1 3.29Å; R550-E696 IonicContact NH2-OE2 2.78Å; R550-E696 PolarHBondContact NH2-OE2 3.14Å; R550-E696 VanDerWaalsContact NH2-OE2 3.1Å
551	R	89.1	Confident	91.9	Very high	103 Å²	103	31.5 Å²	31.5	39%	0.389	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-2.1	175.6	-68.2	-178.3	172.3	76.7	-2.4	113.3	F547 H548 E549 D553 K644	F547-R551 VanDerWaalsContact CD2-NH1 3.27Å; F547-R551 VanDerWaalsContact CE1-CZ 3.45Å; F547-R551 VanDerWaalsContact CG-NH1 3.3Å; F547-R551 PolarHBondContact O-NH1 2.88Å; H548-R551 CarbonylContact O-C 3.46Å; H548-R551 WeakPolarHBondContact O-CA 3.13Å; H548-R551 WeakPolarHBondContact O-CB 3.38Å; H548-R551 PolarHBondContact O-N 2.77Å; E549-R551 PolarHBondContact O-N 2.95Å; R551-D553 WeakPolarHBondContact CB-OD2 3.21Å; R551-D553 PolarHBondContact O-N 3.27Å; R551-K644 PolarHBondContact O-NZ 2.87Å
552	N	89.4	Confident	91.7	Very high	115 Å²	115	32.8 Å²	32.8	62%	0.615	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.3	39.5	-170.7	-67.8	-46.4	0	0	0	112.5	H548 E549 R550	H548-N552 PolarHBondContact O-N 3.39Å; E549-N552 PolarHBondContact O-N 3.45Å; E549-N552 PolarHBondContact O-OD1 3.31Å; R550-N552 VanDerWaalsContact C-N 3.3Å
553	D	89.3	Confident	91.5	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.043	15%	0.15	C	C	.	.			trans	-85.9	147.2	174.6	-64.4	-30	0	0	0	110.7	H548 R551 N618 V619 K644	H548-D553 HydrophobicContact CB-CB 4.21Å; H548-D553 IonicContact CE1-OD2 3.74Å; H548-D553 IonicContact CG-OD2 2.95Å; H548-D553 IonicContact ND1-OD2 3.96Å; H548-D553 PolarHBondContact ND1-OD2 2.96Å; H548-D553 PolarHBondContact O-N 3.27Å; H548-D553 VanDerWaalsContact O-N 3.09Å; R551-D553 WeakPolarHBondContact CB-OD2 3.21Å; R551-D553 PolarHBondContact O-N 3.27Å; D553-N618 HydrophobicContact CB-CB 4.23Å; D553-V619 HydrophobicContact CB-CG2 3.97Å; D553-K644 IonicContact OD1-NZ 3.58Å; D553-K644 PolarHBondContact OD1-NZ 3.5Å
554	K	90.8	Very high	91.3	Very high	34 Å²	34	33.8 Å²	33.8	15%	0.148	15%	0.148	C	C	.	.			trans	-82.2	123.4	173.1	-66	-62	-172.7	178.2	0	109.9	F593 N596 I599 N600 A617 N618 V619	K554-F593 HydrophobicContact CB-CE1 4.3Å; K554-F593 HydrophobicContact CB-CE2 4.38Å; K554-F593 HydrophobicContact CB-CZ 3.76Å; K554-F593 HydrophobicContact CD-CE2 4.19Å; K554-F593 HydrophobicContact CD-CZ 4.21Å; K554-F593 VanDerWaalsContact CE-O 3.31Å; K554-F593 WeakPolarHBondContact CE-O 3.25Å; K554-F593 HydrophobicContact CG-CZ 4.41Å; K554-F593 PolarHBondContact NZ-O 3.5Å; K554-N596 PolarHBondContact NZ-O 3.46Å; K554-I599 PolarHBondContact NZ-O 3.28Å; K554-N600 HydrophobicContact CD-CB 4.38Å; K554-N600 WeakPolarHBondContact CE-OD1 3.28Å; K554-N600 PolarHBondContact NZ-OD1 2.72Å; K554-A617 HydrophobicContact CB-CB 4.41Å; K554-N618 PolarHBondContact N-OD1 2.78Å; K554-N618 PolarHBondContact O-N 3.32Å; K554-V619 PolarHBondContact O-N 3.1Å
555	I	93.8	Very high	91.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.2	-171.5	-47.5	174.5	0	0	0	109.5	I545 H548 E549 V557 F593 N600 T601 I602 V619 I621	I545-I555 HydrophobicContact CG2-CD1 4.35Å; I545-I555 WeakPolarHBondContact O-CD1 3.25Å; H548-I555 HydrophobicContact CB-CD1 3.46Å; H548-I555 VanDerWaalsContact CB-CD1 3.46Å; H548-I555 HydrophobicContact CB-CG1 3.95Å; E549-I555 HydrophobicContact CG-CD1 4.1Å; I555-V557 HydrophobicContact CG2-CG2 4.17Å; I555-F593 WeakPolarHBondContact O-CE2 3.45Å; I555-N600 PolarHBondContact N-O 2.89Å; I555-T601 HydrophobicContact CB-CG2 4.21Å; I555-T601 HydrophobicContact CG2-CG2 4.26Å; I555-T601 VanDerWaalsContact O-CA 3.32Å; I555-T601 WeakPolarHBondContact O-CA 3.39Å; I555-I602 PolarHBondContact O-N 3.17Å; I555-I602 VanDerWaalsContact O-N 3.16Å; I555-V619 WeakPolarHBondContact CA-O 3.19Å; I555-V619 HydrophobicContact CB-CB 4.48Å; I555-V619 HydrophobicContact CG1-CB 4.21Å; I555-V619 HydrophobicContact CG2-CB 4.34Å; I555-V619 HydrophobicContact CG2-CG1 4.29Å; I555-I621 HydrophobicContact CG2-CD1 3.9Å; I555-I621 HydrophobicContact CG2-CG1 4.3Å
556	I	92.5	Very high	91.1	Very high	2 Å²	2	37 Å²	37	1%	0.01	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.8	168.2	-64.2	-173.7	0	0	0	107.9	F593 I602 I604 L614 P615 A617 V619 L620 I621 V640	I556-F593 HydrophobicContact CD1-CE1 4.31Å; I556-F593 HydrophobicContact CD1-CZ 4.38Å; I556-F593 HydrophobicContact CG1-CE1 4.27Å; I556-F593 HydrophobicContact CG1-CZ 3.84Å; I556-I602 HydrophobicContact CD1-CD1 4.22Å; I556-I602 HydrophobicContact CG1-CD1 4.13Å; I556-I602 HydrophobicContact CG1-CG1 3.88Å; I556-I604 HydrophobicContact CD1-CD1 4.21Å; I556-I604 HydrophobicContact CG2-CD1 3.69Å; I556-I604 HydrophobicContact CG2-CG1 4.09Å; I556-L614 HydrophobicContact CD1-CD2 4.42Å; I556-P615 HydrophobicContact CD1-CG 4.21Å; I556-A617 HydrophobicContact CB-CB 4.47Å; I556-A617 HydrophobicContact CD1-CB 3.7Å; I556-A617 HydrophobicContact CG1-CB 3.68Å; I556-V619 PolarHBondContact N-O 3.37Å; I556-L620 HydrophobicContact CB-CD1 4.26Å; I556-L620 HydrophobicContact CG2-CD1 4.09Å; I556-L620 WeakPolarHBondContact O-CA 3.37Å; I556-I621 PolarHBondContact O-N 2.85Å; I556-V640 HydrophobicContact CB-CG1 4.43Å; I556-V640 HydrophobicContact CD1-CG1 3.86Å; I556-V640 HydrophobicContact CG1-CG1 4.48Å
557	V	93.4	Very high	91.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	123.5	174.3	-171.6	0	0	0	0	108.7	I545 I555 T601 I602 F603 I604 I621 I623	I545-V557 HydrophobicContact CD1-CG2 4.03Å; I545-V557 HydrophobicContact CG1-CG2 4.26Å; I555-V557 HydrophobicContact CG2-CG2 4.17Å; V557-T601 HydrophobicContact CG2-CG2 4.07Å; V557-I602 PolarHBondContact N-O 3.06Å; V557-F603 HydrophobicContact CB-CD1 3.69Å; V557-F603 HydrophobicContact CB-CD2 4.36Å; V557-F603 HydrophobicContact CB-CE1 3.58Å; V557-F603 HydrophobicContact CB-CE2 4.25Å; V557-F603 HydrophobicContact CB-CG 4.08Å; V557-F603 HydrophobicContact CB-CZ 3.86Å; V557-F603 HydrophobicContact CG1-CD1 3.72Å; V557-F603 HydrophobicContact CG1-CE1 3.31Å; V557-F603 HydrophobicContact CG1-CZ 3.89Å; V557-F603 HydrophobicContact CG2-CE1 4.13Å; V557-F603 HydrophobicContact CG2-CE2 4.13Å; V557-F603 HydrophobicContact CG2-CZ 3.87Å; V557-F603 CarbonylContact O-C 3.59Å; V557-F603 VanDerWaalsContact O-CA 3.3Å; V557-F603 WeakPolarHBondContact O-CA 3.29Å; V557-I604 PolarHBondContact O-N 3.2Å; V557-I621 CarbonylContact C-O 3.18Å; V557-I621 WeakPolarHBondContact CA-O 3.44Å; V557-I621 HydrophobicContact CG1-CB 4.39Å; V557-I621 HydrophobicContact CG1-CG2 4.47Å; V557-I621 HydrophobicContact CG2-CB 4.33Å; V557-I621 HydrophobicContact CG2-CD1 4.45Å; V557-I623 HydrophobicContact CG1-CD1 3.44Å; V557-I623 VanDerWaalsContact CG1-CD1 3.44Å; V557-I623 HydrophobicContact CG1-CG1 3.82Å
558	F	90.9	Very high	91.1	Very high	5 Å²	5	31.2 Å²	31.2	2%	0.022	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.5	-176.1	-176.7	-82.7	0	0	0	110.7	D560 I604 S605 L620 I621 Q622 I623	F558-D560 WeakPolarHBondContact CE1-OD1 3.4Å; F558-D560 WeakPolarHBondContact CZ-OD1 3.48Å; F558-I604 WeakPolarHBondContact CA-O 3.49Å; F558-S605 VanDerWaalsContact CE2-O 3.22Å; F558-S605 WeakPolarHBondContact CE2-O 3.39Å; F558-L620 HydrophobicContact CB-CD1 4.27Å; F558-I621 PolarHBondContact N-O 3.42Å; F558-Q622 HydrophobicContact CD1-CG 4.32Å; F558-I623 PolarHBondContact O-N 3.25Å
559	A	89.8	Confident	91.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	14%	0.139	C	C	.	.			trans	-143.4	127.1	172.7	0	0	0	0	0	110.8	N561 L565 I604 S605 I623	A559-N561 VanDerWaalsContact C-N 3.34Å; A559-L565 HydrophobicContact CB-CB 4.19Å; A559-L565 HydrophobicContact CB-CD1 3.8Å; A559-I604 PolarHBondContact N-O 3.44Å; A559-S605 WeakPolarHBondContact O-CA 3.46Å; A559-I623 HydrophobicContact CB-CB 4.27Å; A559-I623 HydrophobicContact CB-CD1 4.35Å
560	D	86.4	Confident	91.4	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.032	15%	0.153	C	C	.	.	S	Bend	trans	-67.7	-38	178.7	-54.8	-62.8	0	0	0	111.4	F558 S624 H626 E723	F558-D560 WeakPolarHBondContact CE1-OD1 3.4Å; F558-D560 WeakPolarHBondContact CZ-OD1 3.48Å; D560-S624 WeakPolarHBondContact CB-OG 3.29Å; D560-S624 PolarHBondContact N-OG 3.15Å; D560-S624 PolarHBondContact OD2-OG 2.88Å; D560-H626 PolarHBondContact OD2-N 3.27Å; D560-E723 HydrophobicContact CB-CG 4.46Å
561	N	88.2	Confident	91.5	Very high	6 Å²	6	29.7 Å²	29.7	3%	0.032	14%	0.138	C	C	.	.			trans	-84.6	118.2	-177.3	-174.5	-64.9	0	0	0	110.7	L529 A559 F563 A564 L565 D720	L529-N561 WeakPolarHBondContact CD2-ND2 3.47Å; A559-N561 VanDerWaalsContact C-N 3.34Å; N561-F563 PolarHBondContact O-N 3.35Å; N561-F563 WeakPolarHBondContact OD1-CA 3.03Å; N561-F563 VanDerWaalsContact OD1-CB 3.27Å; N561-F563 WeakPolarHBondContact OD1-CB 3.33Å; N561-F563 PolarHBondContact OD1-N 2.88Å; N561-A564 HydrophobicContact CB-CB 4.17Å; N561-A564 PolarHBondContact O-N 2.93Å; N561-A564 PolarHBondContact OD1-N 3.1Å; N561-L565 WeakPolarHBondContact O-CB 3.34Å; N561-L565 PolarHBondContact O-N 3.39Å; N561-D720 PolarHBondContact ND2-O 3.46Å; N561-D720 PolarHBondContact OD1-O 3.27Å
562	V	89.7	Confident	91.7	Very high	27 Å²	27	26 Å²	26	16%	0.164	13%	0.125	C	C	.	.	H	α-helix	trans	-67.4	-34.7	-177.1	178.1	0	0	0	0	112.3	L565 K566 Y578 E724	V562-L565 PolarHBondContact O-N 3.43Å; V562-K566 HydrophobicContact CG1-CD 4.21Å; V562-K566 HydrophobicContact CG1-CG 4.44Å; V562-K566 WeakPolarHBondContact O-CG 3.44Å; V562-K566 PolarHBondContact O-N 3Å; V562-Y578 HydrophobicContact CG1-CD2 3.76Å; V562-Y578 HydrophobicContact CG1-CG 4.34Å; V562-E724 HydrophobicContact CG2-CB 3.82Å; V562-E724 HydrophobicContact CG2-CG 4.08Å
563	F	90.9	Very high	92	Very high	43 Å²	43	27.5 Å²	27.5	19%	0.189	13%	0.133	C	C	.	.	H	α-helix	trans	-63	-47.7	176.8	174.6	-90.1	0	0	0	110.5	L529 M533 N561 E567 K712 A716 D720	L529-F563 HydrophobicContact CD2-CD1 3.94Å; M533-F563 HydrophobicContact CG-CE1 4.46Å; N561-F563 PolarHBondContact O-N 3.35Å; N561-F563 WeakPolarHBondContact OD1-CA 3.03Å; N561-F563 VanDerWaalsContact OD1-CB 3.27Å; N561-F563 WeakPolarHBondContact OD1-CB 3.33Å; N561-F563 PolarHBondContact OD1-N 2.88Å; F563-E567 PolarHBondContact O-N 3Å; F563-E567 VanDerWaalsContact O-N 3.17Å; F563-K712 HydrophobicContact CZ-CG 4.28Å; F563-A716 HydrophobicContact CE2-CB 4.24Å; F563-A716 HydrophobicContact CZ-CB 4.13Å; F563-D720 HydrophobicContact CB-CB 4.18Å; F563-D720 HydrophobicContact CD2-CB 4.21Å; F563-D720 HydrophobicContact CG-CB 4.27Å
564	A	91.4	Very high	92.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-62.7	-48.1	174.7	0	0	0	0	0	111.6	T532 M533 N561 K566 E567 Y568	T532-A564 HydrophobicContact CG2-CB 3.57Å; M533-A564 VanDerWaalsContact SD-CA 3.57Å; M533-A564 HydrophobicContact SD-CB 3.49Å; M533-A564 WeakPolarHBondContact SD-CB 3.23Å; N561-A564 HydrophobicContact CB-CB 4.17Å; N561-A564 PolarHBondContact O-N 2.93Å; N561-A564 PolarHBondContact OD1-N 3.1Å; A564-K566 VanDerWaalsContact C-N 3.31Å; A564-K566 PolarHBondContact O-N 3.34Å; A564-E567 PolarHBondContact O-N 2.82Å; A564-E567 VanDerWaalsContact O-N 3.1Å; A564-Y568 WeakPolarHBondContact O-CD2 3.48Å; A564-Y568 PolarHBondContact O-N 3.11Å
565	L	93.1	Very high	92.4	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-51.5	-49	178.7	-173.7	85.9	0	0	0	112.2	A559 N561 V562 Y568 A569 F603	A559-L565 HydrophobicContact CB-CB 4.19Å; A559-L565 HydrophobicContact CB-CD1 3.8Å; N561-L565 WeakPolarHBondContact O-CB 3.34Å; N561-L565 PolarHBondContact O-N 3.39Å; V562-L565 PolarHBondContact O-N 3.43Å; L565-Y568 PolarHBondContact O-N 3.43Å; L565-A569 VanDerWaalsContact O-CB 3.27Å; L565-A569 WeakPolarHBondContact O-CB 3.42Å; L565-A569 PolarHBondContact O-N 2.78Å; L565-F603 HydrophobicContact CD1-CB 3.85Å; L565-F603 HydrophobicContact CD1-CD1 4.03Å; L565-F603 HydrophobicContact CD1-CG 4.46Å; L565-F603 HydrophobicContact CG-CB 4.36Å
566	K	93.2	Very high	92.4	Very high	76 Å²	76	32.7 Å²	32.7	33%	0.33	16%	0.16	S	C	.	.	H	α-helix	trans	-62.1	-45.1	179.1	-75.1	176.7	178	179.7	0	111.5	V562 A564 Y568 A569 I570 F576 Y578	V562-K566 HydrophobicContact CG1-CD 4.21Å; V562-K566 HydrophobicContact CG1-CG 4.44Å; V562-K566 WeakPolarHBondContact O-CG 3.44Å; V562-K566 PolarHBondContact O-N 3Å; A564-K566 VanDerWaalsContact C-N 3.31Å; A564-K566 PolarHBondContact O-N 3.34Å; K566-Y568 PolarHBondContact O-N 3.34Å; K566-A569 PolarHBondContact O-N 2.77Å; K566-I570 HydrophobicContact CB-CD1 4.46Å; K566-I570 WeakPolarHBondContact O-CB 3.35Å; K566-I570 WeakPolarHBondContact O-CD1 3.31Å; K566-I570 WeakPolarHBondContact O-CG1 3.29Å; K566-I570 PolarHBondContact O-N 3.21Å; K566-F576 HydrophobicContact CG-CE2 3.98Å; K566-Y578 VanDerWaalsContact CE-CE2 3.47Å
567	E	93	Very high	92.3	Very high	15 Å²	15	32.6 Å²	32.6	7%	0.07	16%	0.159	C	C	.	.	H	α-helix	trans	-64.4	-41.7	-178.9	-170.2	67.6	172.1	0	0	112.3	M533 F563 A564 R571 L709 K712	M533-E567 HydrophobicContact CE-CB 3.82Å; M533-E567 HydrophobicContact CE-CG 3.6Å; F563-E567 PolarHBondContact O-N 3Å; F563-E567 VanDerWaalsContact O-N 3.17Å; A564-E567 PolarHBondContact O-N 2.82Å; A564-E567 VanDerWaalsContact O-N 3.1Å; E567-R571 WeakPolarHBondContact O-CB 3.5Å; E567-R571 PolarHBondContact O-N 3.23Å; E567-R571 IonicContact OE1-CZ 3.48Å; E567-R571 IonicContact OE1-NH1 3.25Å; E567-R571 PolarHBondContact OE1-NH1 3.25Å; E567-R571 IonicContact OE1-NH2 2.62Å; E567-L709 HydrophobicContact CG-CD1 4.32Å; E567-K712 IonicContact OE1-NZ 3.01Å; E567-K712 PolarHBondContact OE1-NZ 3.39Å; E567-K712 IonicContact OE2-NZ 2.67Å; E567-K712 PolarHBondContact OE2-NZ 3.43Å
568	Y	94.6	Very high	92.2	Very high	1 Å²	1	35 Å²	35	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-64.5	-48.4	175.5	-82.8	-111.8	0	0	0	111.5	T532 M533 F538 C541 A564 L565 K566 L572 I623	T532-Y568 PolarHBondContact O-OH 2.86Å; M533-Y568 HydrophobicContact CE-CE2 4.3Å; M533-Y568 HydrophobicContact SD-CD2 4.44Å; M533-Y568 HydrophobicContact SD-CE2 3.97Å; F538-Y568 HydrophobicContact CB-CE1 4.05Å; F538-Y568 AromaticContact CD2-CD1 3.6Å; F538-Y568 HydrophobicContact CD2-CD1 3.6Å; F538-Y568 HydrophobicContact CD2-CD2 4.19Å; F538-Y568 AromaticContact CD2-CE1 3.62Å; F538-Y568 HydrophobicContact CD2-CE1 3.62Å; F538-Y568 HydrophobicContact CD2-CE2 4.24Å; F538-Y568 AromaticContact CD2-CG 3.93Å; F538-Y568 HydrophobicContact CD2-CG 3.93Å; F538-Y568 AromaticContact CD2-CZ 3.97Å; F538-Y568 HydrophobicContact CE2-CD1 4.02Å; F538-Y568 HydrophobicContact CE2-CE1 4.48Å; F538-Y568 HydrophobicContact CE2-CG 4.13Å; F538-Y568 HydrophobicContact CG-CD1 4.44Å; F538-Y568 HydrophobicContact CG-CE1 4.14Å; C541-Y568 HydrophobicContact CB-CD1 4.46Å; C541-Y568 HydrophobicContact CB-CE1 4.08Å; A564-Y568 WeakPolarHBondContact O-CD2 3.48Å; A564-Y568 PolarHBondContact O-N 3.11Å; L565-Y568 PolarHBondContact O-N 3.43Å; K566-Y568 PolarHBondContact O-N 3.34Å; Y568-L572 VanDerWaalsContact O-CB 3.31Å; Y568-L572 WeakPolarHBondContact O-CB 3.39Å; Y568-L572 WeakPolarHBondContact O-CG 3.31Å; Y568-L572 PolarHBondContact O-N 3.45Å; Y568-I623 HydrophobicContact CD1-CD1 3.52Å; Y568-I623 HydrophobicContact CD2-CD1 4.46Å; Y568-I623 HydrophobicContact CE1-CD1 3.69Å; Y568-I623 HydrophobicContact CE1-CG1 4.33Å; Y568-I623 HydrophobicContact CE1-CG2 4.22Å; Y568-I623 HydrophobicContact CE2-CG2 4.27Å; Y568-I623 HydrophobicContact CG-CD1 3.92Å
569	A	94.6	Very high	91.9	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-65.9	-42.2	-176.9	0	0	0	0	0	113	L565 K566 N573 K574 F576 F603	L565-A569 VanDerWaalsContact O-CB 3.27Å; L565-A569 WeakPolarHBondContact O-CB 3.42Å; L565-A569 PolarHBondContact O-N 2.78Å; K566-A569 PolarHBondContact O-N 2.77Å; A569-N573 WeakPolarHBondContact O-CA 3.3Å; A569-N573 PolarHBondContact O-N 3.28Å; A569-K574 PolarHBondContact O-N 2.87Å; A569-F576 HydrophobicContact CB-CB 3.66Å; A569-F576 HydrophobicContact CB-CD1 3.52Å; A569-F576 HydrophobicContact CB-CE1 4.37Å; A569-F576 HydrophobicContact CB-CG 3.77Å; A569-F603 HydrophobicContact CB-CB 4.23Å; A569-F603 HydrophobicContact CB-CD2 4.17Å; A569-F603 HydrophobicContact CB-CG 4.06Å
570	I	94.6	Very high	91.7	Very high	109 Å²	109	41 Å²	41	56%	0.559	21%	0.214	S	C	*	.	H	α-helix	trans	-66.7	-46.9	179.2	-67.8	166.5	0	0	0	110.4	K566 L572 N573	K566-I570 HydrophobicContact CB-CD1 4.46Å; K566-I570 WeakPolarHBondContact O-CB 3.35Å; K566-I570 WeakPolarHBondContact O-CD1 3.31Å; K566-I570 WeakPolarHBondContact O-CG1 3.29Å; K566-I570 PolarHBondContact O-N 3.21Å; I570-L572 PolarHBondContact O-N 3.01Å; I570-N573 PolarHBondContact O-N 2.94Å
571	R	93.4	Very high	91.8	Very high	73 Å²	73	41.1 Å²	41.1	28%	0.275	22%	0.215	S	C	.	.	H	α-helix	trans	-66.7	-37.6	179.5	-85.6	-140.6	-176.1	76	-5.8	113.2	F538 E567 N573 F700	F538-R571 HydrophobicContact CE2-CB 4.07Å; F538-R571 HydrophobicContact CZ-CB 3.78Å; E567-R571 WeakPolarHBondContact O-CB 3.5Å; E567-R571 PolarHBondContact O-N 3.23Å; E567-R571 IonicContact OE1-CZ 3.48Å; E567-R571 IonicContact OE1-NH1 3.25Å; E567-R571 PolarHBondContact OE1-NH1 3.25Å; E567-R571 IonicContact OE1-NH2 2.62Å; R571-N573 VanDerWaalsContact C-N 3.27Å; R571-F700 VanDerWaalsContact NH1-CZ 3.31Å
572	L	93.5	Very high	91.6	Very high	25 Å²	25	44 Å²	44	13%	0.131	24%	0.236	C	C	.	.	H	α-helix	trans	-84.5	-3.5	178.7	-63.9	172.7	0	0	0	113.1	F538 Q542 I545 Y568 I570 K574 F603	F538-L572 HydrophobicContact CE1-CD2 3.98Å; F538-L572 HydrophobicContact CE1-CG 4.43Å; F538-L572 HydrophobicContact CE2-CG 4.31Å; F538-L572 HydrophobicContact CZ-CD1 4.3Å; F538-L572 HydrophobicContact CZ-CD2 3.75Å; F538-L572 HydrophobicContact CZ-CG 3.75Å; Q542-L572 HydrophobicContact CB-CD2 4.03Å; Q542-L572 HydrophobicContact CG-CD2 3.78Å; I545-L572 HydrophobicContact CD1-CD1 3.79Å; Y568-L572 VanDerWaalsContact O-CB 3.31Å; Y568-L572 WeakPolarHBondContact O-CB 3.39Å; Y568-L572 WeakPolarHBondContact O-CG 3.31Å; Y568-L572 PolarHBondContact O-N 3.45Å; I570-L572 PolarHBondContact O-N 3.01Å; L572-K574 HydrophobicContact CB-CG 4.07Å; L572-K574 PolarHBondContact O-N 3.21Å; L572-F603 HydrophobicContact CD1-CE2 4.39Å; L572-F603 HydrophobicContact CD1-CZ 3.8Å
573	N	94.6	Very high	91.1	Very high	147 Å²	147	48.8 Å²	48.8	79%	0.786	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	50.9	-177.4	-165.7	19	0	0	0	112.6	A569 I570 R571	A569-N573 WeakPolarHBondContact O-CA 3.3Å; A569-N573 PolarHBondContact O-N 3.28Å; I570-N573 PolarHBondContact O-N 2.94Å; R571-N573 VanDerWaalsContact C-N 3.27Å
574	K	94.9	Very high	90.7	Very high	52 Å²	52	49.4 Å²	49.4	23%	0.226	27%	0.274	C	S	.	.			trans	-117.9	148.2	179.2	-57.2	-58.7	178.5	174.9	0	111.1	E549 A569 L572 T601 F603	E549-K574 IonicContact OE1-NZ 2.91Å; E549-K574 PolarHBondContact OE1-NZ 2.69Å; E549-K574 IonicContact OE2-NZ 2.66Å; E549-K574 PolarHBondContact OE2-NZ 3.33Å; A569-K574 PolarHBondContact O-N 2.87Å; L572-K574 HydrophobicContact CB-CG 4.07Å; L572-K574 PolarHBondContact O-N 3.21Å; K574-T601 HydrophobicContact CG-CG2 4.29Å; K574-F603 HydrophobicContact CB-CD2 3.76Å; K574-F603 HydrophobicContact CB-CE2 3.74Å; K574-F603 HydrophobicContact CG-CD2 4.5Å; K574-F603 HydrophobicContact CG-CE2 3.99Å
575	P	94.5	Very high	90.5	Very high	41 Å²	41	54.1 Å²	54.1	27%	0.266	30%	0.296	S	S	.	.			trans	-62.6	143.8	175.6	-19.1	31.3	0	0	0	111.8	I589 I599 I602 F603	P575-I589 HydrophobicContact CB-CG2 4Å; P575-I599 HydrophobicContact CG-CG2 4.18Å; P575-I602 HydrophobicContact CB-CG2 4.39Å; P575-F603 PolarHBondContact O-N 3.25Å
576	F	93.8	Very high	90.2	Very high	57 Å²	57	54.9 Å²	54.9	25%	0.25	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149.2	178.6	63.6	-81.9	0	0	0	112.4	K566 A569 Y578 F603	K566-F576 HydrophobicContact CG-CE2 3.98Å; A569-F576 HydrophobicContact CB-CB 3.66Å; A569-F576 HydrophobicContact CB-CD1 3.52Å; A569-F576 HydrophobicContact CB-CE1 4.37Å; A569-F576 HydrophobicContact CB-CG 3.77Å; F576-Y578 AromaticContact CD2-CD1 3.6Å; F576-Y578 HydrophobicContact CD2-CD1 3.6Å; F576-Y578 AromaticContact CD2-CE1 3.95Å; F576-Y578 HydrophobicContact CD2-CE1 3.95Å; F576-Y578 AromaticContact CE2-CD1 3.55Å; F576-Y578 HydrophobicContact CE2-CD1 3.55Å; F576-Y578 AromaticContact CE2-CE1 3.4Å; F576-Y578 HydrophobicContact CE2-CE1 3.4Å; F576-Y578 HydrophobicContact CZ-CE1 4.4Å; F576-F603 CarbonylContact C-O 3.54Å; F576-F603 WeakPolarHBondContact CA-O 3.08Å; F576-F603 HydrophobicContact CB-CB 3.61Å
577	I	91	Very high	89.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	126.8	179	-58.1	169.8	0	0	0	108.1	R586 I589 L590 F603 S605 V607 F612	I577-R586 HydrophobicContact CD1-CG 4.22Å; I577-R586 HydrophobicContact CG2-CG 4Å; I577-I589 HydrophobicContact CD1-CB 4.42Å; I577-I589 HydrophobicContact CD1-CG2 3.98Å; I577-I589 HydrophobicContact CG1-CD1 4.21Å; I577-I589 HydrophobicContact CG1-CG2 4.18Å; I577-L590 HydrophobicContact CD1-CD2 3.85Å; I577-L590 HydrophobicContact CD1-CG 4.17Å; I577-F603 PolarHBondContact N-O 3.15Å; I577-S605 PolarHBondContact O-N 2.72Å; I577-V607 HydrophobicContact CG2-CG2 4.2Å; I577-F612 HydrophobicContact CG2-CZ 4.24Å
578	Y	89.8	Confident	89.5	Confident	52 Å²	52	61.5 Å²	61.5	20%	0.204	33%	0.333	C	S	.	.			trans	-141.8	175.4	176	68.3	-65.4	0	0	0	109.8	V562 K566 F576 P580 T581 S605	V562-Y578 HydrophobicContact CG1-CD2 3.76Å; V562-Y578 HydrophobicContact CG1-CG 4.34Å; K566-Y578 VanDerWaalsContact CE-CE2 3.47Å; F576-Y578 AromaticContact CD2-CD1 3.6Å; F576-Y578 HydrophobicContact CD2-CD1 3.6Å; F576-Y578 AromaticContact CD2-CE1 3.95Å; F576-Y578 HydrophobicContact CD2-CE1 3.95Å; F576-Y578 AromaticContact CE2-CD1 3.55Å; F576-Y578 HydrophobicContact CE2-CD1 3.55Å; F576-Y578 AromaticContact CE2-CE1 3.4Å; F576-Y578 HydrophobicContact CE2-CE1 3.4Å; F576-Y578 HydrophobicContact CZ-CE1 4.4Å; Y578-P580 HydrophobicContact CD2-CB 4.42Å; Y578-P580 VanDerWaalsContact CD2-CD 3.42Å; Y578-P580 HydrophobicContact CD2-CG 3.99Å; Y578-P580 HydrophobicContact CE2-CB 3.78Å; Y578-P580 HydrophobicContact CE2-CG 3.6Å; Y578-T581 VanDerWaalsContact CD1-OG1 3.24Å; Y578-T581 WeakPolarHBondContact CD1-OG1 2.98Å; Y578-T581 PolarHBondContact N-OG1 2.98Å; Y578-T581 VanDerWaalsContact N-OG1 3.15Å; Y578-T581 VanDerWaalsContact O-CB 3.28Å; Y578-T581 WeakPolarHBondContact O-CB 3.49Å; Y578-T581 PolarHBondContact O-N 3.39Å; Y578-T581 PolarHBondContact O-OG1 2.64Å; Y578-T581 VanDerWaalsContact O-OG1 3.07Å; Y578-S605 WeakPolarHBondContact CA-OG 3.41Å
579	G	84.9	Confident	89.3	Confident	31 Å²	31	62.5 Å²	62.5	32%	0.32	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.6	-56	-171	0	0	0	0	0	114.9	T581 E724	G579-T581 PolarHBondContact O-N 3.07Å; G579-T581 VanDerWaalsContact O-N 3.15Å; G579-E724 WeakPolarHBondContact CA-OE1 3.45Å; G579-E724 PolarHBondContact N-OE1 3.05Å
580	P	86.5	Confident	89	Confident	99 Å²	99	63 Å²	63	64%	0.643	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-9.8	177.4	-27.7	34.7	0	0	0	117.1	Y578 S582	Y578-P580 HydrophobicContact CD2-CB 4.42Å; Y578-P580 VanDerWaalsContact CD2-CD 3.42Å; Y578-P580 HydrophobicContact CD2-CG 3.99Å; Y578-P580 HydrophobicContact CE2-CB 3.78Å; Y578-P580 HydrophobicContact CE2-CG 3.6Å; P580-S582 PolarHBondContact O-N 2.77Å
581	T	87.3	Confident	88.7	Confident	9 Å²	9	61.8 Å²	61.8	6%	0.055	33%	0.332	C	S	.	.	S	Bend	trans	-63.5	128.2	178.7	-54.4	0	0	0	0	110.6	Y578 G579 E585 R586	Y578-T581 VanDerWaalsContact CD1-OG1 3.24Å; Y578-T581 WeakPolarHBondContact CD1-OG1 2.98Å; Y578-T581 PolarHBondContact N-OG1 2.98Å; Y578-T581 VanDerWaalsContact N-OG1 3.15Å; Y578-T581 VanDerWaalsContact O-CB 3.28Å; Y578-T581 WeakPolarHBondContact O-CB 3.49Å; Y578-T581 PolarHBondContact O-N 3.39Å; Y578-T581 PolarHBondContact O-OG1 2.64Å; Y578-T581 VanDerWaalsContact O-OG1 3.07Å; G579-T581 PolarHBondContact O-N 3.07Å; G579-T581 VanDerWaalsContact O-N 3.15Å; T581-E585 HydrophobicContact CG2-CB 4.31Å; T581-E585 HydrophobicContact CG2-CG 4.19Å; T581-R586 HydrophobicContact CG2-CB 4.36Å
582	S	84.9	Confident	88.6	Confident	67 Å²	67	61.1 Å²	61.1	47%	0.469	33%	0.334	S	S	.	.			trans	-62.1	150.3	-179.2	75.3	0	0	0	0	112.3	P580 G584 E585 R586	P580-S582 PolarHBondContact O-N 2.77Å; S582-G584 VanDerWaalsContact C-N 3.31Å; S582-G584 PolarHBondContact O-N 3.13Å; S582-E585 PolarHBondContact O-N 2.87Å; S582-E585 VanDerWaalsContact OG-CB 3.25Å; S582-E585 WeakPolarHBondContact OG-CB 3.42Å; S582-E585 PolarHBondContact OG-N 3.27Å; S582-R586 VanDerWaalsContact O-CB 3.27Å; S582-R586 WeakPolarHBondContact O-CB 3.27Å; S582-R586 PolarHBondContact O-N 2.77Å
583	Q	78.4	Confident	88.5	Confident	127 Å²	127	60 Å²	60	59%	0.593	33%	0.328	S	S	*	.	H	α-helix	trans	-63.2	-35.6	-178.7	-64.8	-58.4	-29.5	0	0	113	M587	Q583-M587 WeakPolarHBondContact O-CB 3.22Å; Q583-M587 PolarHBondContact O-N 3.45Å
584	G	82.6	Confident	88.1	Confident	55 Å²	55	57 Å²	57	57%	0.567	31%	0.308	S	S	*	.	H	α-helix	trans	-66.1	-47.6	177.7	0	0	0	0	0	112.5	S582 M587 Q588	S582-G584 VanDerWaalsContact C-N 3.31Å; S582-G584 PolarHBondContact O-N 3.13Å; G584-M587 PolarHBondContact O-N 3.1Å; G584-Q588 PolarHBondContact O-N 3.47Å
585	E	87.6	Confident	87.8	Confident	100 Å²	100	61.3 Å²	61.3	47%	0.467	33%	0.329	S	S	.	.	H	α-helix	trans	-63.2	-43.7	175.8	-178.5	179.6	-164.6	0	0	111.4	T581 S582 M587 Q588 I589	T581-E585 HydrophobicContact CG2-CB 4.31Å; T581-E585 HydrophobicContact CG2-CG 4.19Å; S582-E585 PolarHBondContact O-N 2.87Å; S582-E585 VanDerWaalsContact OG-CB 3.25Å; S582-E585 WeakPolarHBondContact OG-CB 3.42Å; S582-E585 PolarHBondContact OG-N 3.27Å; E585-M587 PolarHBondContact O-N 3.33Å; E585-Q588 WeakPolarHBondContact O-CB 3.19Å; E585-Q588 PolarHBondContact O-N 3.06Å; E585-Q588 VanDerWaalsContact O-N 3.15Å; E585-I589 HydrophobicContact CG-CD1 3.99Å; E585-I589 HydrophobicContact CG-CG1 4.48Å; E585-I589 WeakPolarHBondContact O-CG1 3.35Å; E585-I589 PolarHBondContact O-N 2.85Å
586	R	85.6	Confident	87.7	Confident	16 Å²	16	61.8 Å²	61.8	6%	0.06	33%	0.329	C	S	.	.	H	α-helix	trans	-55	-50.9	175.7	-174.4	-178.1	-63.8	-174.2	-1.5	111	I577 T581 S582 Q588 I589 L590	I577-R586 HydrophobicContact CD1-CG 4.22Å; I577-R586 HydrophobicContact CG2-CG 4Å; T581-R586 HydrophobicContact CG2-CB 4.36Å; S582-R586 VanDerWaalsContact O-CB 3.27Å; S582-R586 WeakPolarHBondContact O-CB 3.27Å; S582-R586 PolarHBondContact O-N 2.77Å; R586-Q588 VanDerWaalsContact C-N 3.31Å; R586-Q588 PolarHBondContact O-N 2.92Å; R586-I589 PolarHBondContact O-N 2.75Å; R586-L590 HydrophobicContact CG-CD1 4.14Å; R586-L590 VanDerWaalsContact O-CG 3.24Å; R586-L590 WeakPolarHBondContact O-CG 3.44Å; R586-L590 PolarHBondContact O-N 2.95Å
587	M	83.9	Confident	87.4	Confident	110 Å²	110	63.7 Å²	63.7	54%	0.542	35%	0.347	S	S	.	.	H	α-helix	trans	-60.4	-41.2	178.2	-170.6	61.5	66.8	0	0	111.7	Q583 G584 E585 L590 Q591	Q583-M587 WeakPolarHBondContact O-CB 3.22Å; Q583-M587 PolarHBondContact O-N 3.45Å; G584-M587 PolarHBondContact O-N 3.1Å; E585-M587 PolarHBondContact O-N 3.33Å; M587-L590 PolarHBondContact O-N 2.52Å; M587-Q591 HydrophobicContact CG-CG 4.32Å; M587-Q591 WeakPolarHBondContact O-CB 3.12Å; M587-Q591 WeakPolarHBondContact O-CG 3.26Å; M587-Q591 PolarHBondContact O-N 2.8Å; M587-Q591 HydrophobicContact SD-CG 4.4Å
588	Q	88.1	Confident	87.3	Confident	120 Å²	120	72.6 Å²	72.6	56%	0.561	39%	0.386	S	S	*	.	H	α-helix	trans	-63.2	-44	177.5	-174.6	179.2	-1.1	0	0	112.4	G584 E585 R586 L590 Q591 N592	G584-Q588 PolarHBondContact O-N 3.47Å; E585-Q588 WeakPolarHBondContact O-CB 3.19Å; E585-Q588 PolarHBondContact O-N 3.06Å; E585-Q588 VanDerWaalsContact O-N 3.15Å; R586-Q588 VanDerWaalsContact C-N 3.31Å; R586-Q588 PolarHBondContact O-N 2.92Å; Q588-L590 VanDerWaalsContact C-N 3.33Å; Q588-L590 PolarHBondContact O-N 3.12Å; Q588-Q591 PolarHBondContact O-N 2.68Å; Q588-N592 WeakPolarHBondContact O-CB 3.49Å; Q588-N592 VanDerWaalsContact O-CG 3.29Å; Q588-N592 PolarHBondContact O-N 2.78Å; Q588-N592 PolarHBondContact O-ND2 3.23Å
589	I	90.8	Very high	87.3	Confident	22 Å²	22	72.5 Å²	72.5	11%	0.113	39%	0.388	C	S	.	.	H	α-helix	trans	-60.3	-45.2	176	-67.9	169.2	0	0	0	110.2	P575 I577 E585 R586 N592 F593 I602	P575-I589 HydrophobicContact CB-CG2 4Å; I577-I589 HydrophobicContact CD1-CB 4.42Å; I577-I589 HydrophobicContact CD1-CG2 3.98Å; I577-I589 HydrophobicContact CG1-CD1 4.21Å; I577-I589 HydrophobicContact CG1-CG2 4.18Å; E585-I589 HydrophobicContact CG-CD1 3.99Å; E585-I589 HydrophobicContact CG-CG1 4.48Å; E585-I589 WeakPolarHBondContact O-CG1 3.35Å; E585-I589 PolarHBondContact O-N 2.85Å; R586-I589 PolarHBondContact O-N 2.75Å; I589-N592 PolarHBondContact O-N 2.96Å; I589-F593 WeakPolarHBondContact O-CB 3.1Å; I589-F593 PolarHBondContact O-N 3.06Å; I589-I602 HydrophobicContact CG2-CG2 4.07Å
590	L	87.6	Confident	87.7	Confident	11 Å²	11	71.7 Å²	71.7	6%	0.058	38%	0.377	C	S	.	.	H	α-helix	trans	-66.2	-43	-179.7	-64.3	172.7	0	0	0	112.3	I577 R586 M587 Q588 F593 K594 I602 F612 P615	I577-L590 HydrophobicContact CD1-CD2 3.85Å; I577-L590 HydrophobicContact CD1-CG 4.17Å; R586-L590 HydrophobicContact CG-CD1 4.14Å; R586-L590 VanDerWaalsContact O-CG 3.24Å; R586-L590 WeakPolarHBondContact O-CG 3.44Å; R586-L590 PolarHBondContact O-N 2.95Å; M587-L590 PolarHBondContact O-N 2.52Å; Q588-L590 VanDerWaalsContact C-N 3.33Å; Q588-L590 PolarHBondContact O-N 3.12Å; L590-F593 PolarHBondContact O-N 3.08Å; L590-K594 WeakPolarHBondContact O-CB 3.09Å; L590-K594 WeakPolarHBondContact O-CG 3.16Å; L590-K594 PolarHBondContact O-N 2.94Å; L590-I602 HydrophobicContact CD2-CD1 4.46Å; L590-F612 HydrophobicContact CD1-CD2 3.91Å; L590-F612 HydrophobicContact CD1-CE2 4.25Å; L590-F612 HydrophobicContact CD2-CE2 4.21Å; L590-P615 HydrophobicContact CD2-CG 4.01Å
591	Q	88.5	Confident	88	Confident	84 Å²	84	67 Å²	67	39%	0.393	35%	0.347	S	S	.	.	H	α-helix	trans	-63.2	-43	176	-72.2	-66.4	-22.2	0	0	111.6	M587 Q588 K594 H595	M587-Q591 HydrophobicContact CG-CG 4.32Å; M587-Q591 WeakPolarHBondContact O-CB 3.12Å; M587-Q591 WeakPolarHBondContact O-CG 3.26Å; M587-Q591 PolarHBondContact O-N 2.8Å; M587-Q591 HydrophobicContact SD-CG 4.4Å; Q588-Q591 PolarHBondContact O-N 2.68Å; Q591-K594 PolarHBondContact O-N 3.33Å; Q591-H595 PolarHBondContact O-N 3.49Å; Q591-H595 PolarHBondContact OE1-CD2 2.95Å; Q591-H595 PolarHBondContact OE1-NE2 3.2Å
592	N	91.3	Very high	88.4	Confident	59 Å²	59	66.6 Å²	66.6	32%	0.316	34%	0.344	S	S	.	.	H	α-helix	trans	-61.4	-44.7	173.2	-77.8	-32	0	0	0	111.2	Q588 I589 K594 N596 I599	Q588-N592 WeakPolarHBondContact O-CB 3.49Å; Q588-N592 VanDerWaalsContact O-CG 3.29Å; Q588-N592 PolarHBondContact O-N 2.78Å; Q588-N592 PolarHBondContact O-ND2 3.23Å; I589-N592 PolarHBondContact O-N 2.96Å; N592-K594 PolarHBondContact O-N 3.46Å; N592-N596 VanDerWaalsContact O-CA 3.31Å; N592-N596 WeakPolarHBondContact O-CA 3.28Å; N592-N596 WeakPolarHBondContact O-CB 3.17Å; N592-N596 PolarHBondContact O-N 2.96Å; N592-I599 HydrophobicContact CB-CD1 4.27Å
593	F	91.3	Very high	88.8	Confident	1 Å²	1	63.4 Å²	63.4	0%	0.004	32%	0.322	C	S	.	.	H	α-helix	trans	-63.5	-41.3	178.1	179.8	-99.1	0	0	0	112.8	K554 I555 I556 I589 L590 N600 I602 P615 A617	K554-F593 HydrophobicContact CB-CE1 4.3Å; K554-F593 HydrophobicContact CB-CE2 4.38Å; K554-F593 HydrophobicContact CB-CZ 3.76Å; K554-F593 HydrophobicContact CD-CE2 4.19Å; K554-F593 HydrophobicContact CD-CZ 4.21Å; K554-F593 VanDerWaalsContact CE-O 3.31Å; K554-F593 WeakPolarHBondContact CE-O 3.25Å; K554-F593 HydrophobicContact CG-CZ 4.41Å; K554-F593 PolarHBondContact NZ-O 3.5Å; I555-F593 WeakPolarHBondContact O-CE2 3.45Å; I556-F593 HydrophobicContact CD1-CE1 4.31Å; I556-F593 HydrophobicContact CD1-CZ 4.38Å; I556-F593 HydrophobicContact CG1-CE1 4.27Å; I556-F593 HydrophobicContact CG1-CZ 3.84Å; I589-F593 WeakPolarHBondContact O-CB 3.1Å; I589-F593 PolarHBondContact O-N 3.06Å; L590-F593 PolarHBondContact O-N 3.08Å; F593-N600 WeakPolarHBondContact CE2-O 3.08Å; F593-I602 HydrophobicContact CB-CD1 4.32Å; F593-I602 HydrophobicContact CB-CG2 4.04Å; F593-I602 HydrophobicContact CD1-CD1 3.92Å; F593-I602 HydrophobicContact CD2-CB 4.27Å; F593-I602 HydrophobicContact CD2-CD1 3.99Å; F593-I602 HydrophobicContact CD2-CG1 3.89Å; F593-I602 HydrophobicContact CD2-CG2 3.57Å; F593-I602 HydrophobicContact CE1-CD1 4.12Å; F593-I602 HydrophobicContact CE2-CB 4.5Å; F593-I602 HydrophobicContact CE2-CD1 4.16Å; F593-I602 HydrophobicContact CE2-CG1 3.81Å; F593-I602 HydrophobicContact CE2-CG2 4.24Å; F593-I602 HydrophobicContact CG-CD1 3.81Å; F593-I602 HydrophobicContact CG-CG1 4.24Å; F593-I602 HydrophobicContact CG-CG2 4.01Å; F593-I602 HydrophobicContact CZ-CD1 4.21Å; F593-I602 HydrophobicContact CZ-CG1 4.14Å; F593-P615 HydrophobicContact CD1-CB 3.59Å; F593-P615 HydrophobicContact CD1-CG 3.31Å; F593-P615 HydrophobicContact CE1-CB 3.83Å; F593-P615 HydrophobicContact CE1-CG 3.5Å; F593-P615 HydrophobicContact CG-CG 4.4Å; F593-A617 HydrophobicContact CZ-CB 4.39Å
594	K	86.9	Confident	89.4	Confident	84 Å²	84	57.4 Å²	57.4	37%	0.365	29%	0.294	S	S	.	.	H	α-helix	trans	-66.4	-48.7	179	-74	-177.2	178.5	-174.4	0	112.2	L590 Q591 N592 D613 P615	L590-K594 WeakPolarHBondContact O-CB 3.09Å; L590-K594 WeakPolarHBondContact O-CG 3.16Å; L590-K594 PolarHBondContact O-N 2.94Å; Q591-K594 PolarHBondContact O-N 3.33Å; N592-K594 PolarHBondContact O-N 3.46Å; K594-D613 IonicContact NZ-OD2 3.65Å; K594-D613 PolarHBondContact NZ-OD2 3.36Å; K594-P615 HydrophobicContact CD-CB 4.13Å; K594-P615 VanDerWaalsContact CE-CB 3.46Å; K594-P615 HydrophobicContact CG-CB 3.55Å
595	H	88.7	Confident	89.7	Confident	143 Å²	143	54.8 Å²	54.8	66%	0.662	27%	0.267	S	S	*	.	H	α-helix	trans	-105.3	-25.6	-168.2	-62.9	-64.7	0	0	0	114.8	Q591 P597	Q591-H595 PolarHBondContact O-N 3.49Å; Q591-H595 PolarHBondContact OE1-CD2 2.95Å; Q591-H595 PolarHBondContact OE1-NE2 3.2Å; H595-P597 WeakPolarHBondContact O-CD 3.46Å
596	N	91.7	Very high	89.3	Confident	50 Å²	50	51.1 Å²	51.1	27%	0.267	25%	0.249	S	C	.	.			trans	-88.9	116.9	-178.2	-167.8	-15.1	0	0	0	110.3	K554 N592 K598 I599	K554-N596 PolarHBondContact NZ-O 3.46Å; N592-N596 VanDerWaalsContact O-CA 3.31Å; N592-N596 WeakPolarHBondContact O-CA 3.28Å; N592-N596 WeakPolarHBondContact O-CB 3.17Å; N592-N596 PolarHBondContact O-N 2.96Å; N596-K598 PolarHBondContact O-N 3.38Å; N596-K598 WeakPolarHBondContact OD1-CB 3.21Å; N596-K598 PolarHBondContact OD1-N 2.78Å; N596-I599 PolarHBondContact O-N 3.1Å
597	P	87.1	Confident	89	Confident	97 Å²	97	50.7 Å²	50.7	63%	0.63	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.8	-13.3	178.7	30.2	-35.8	0	0	0	113.2	H595 I599 N600	H595-P597 WeakPolarHBondContact O-CD 3.46Å; P597-I599 VanDerWaalsContact C-N 3.34Å; P597-N600 PolarHBondContact O-ND2 3.45Å; P597-N600 PolarHBondContact O-OD1 3.12Å; P597-N600 VanDerWaalsContact O-OD1 3.11Å
598	K	89.2	Confident	88.4	Confident	188 Å²	188	45.5 Å²	45.5	82%	0.817	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-24.4	177.2	-62.4	-175.9	177.9	-178.7	0	113	N596	N596-K598 PolarHBondContact O-N 3.38Å; N596-K598 WeakPolarHBondContact OD1-CB 3.21Å; N596-K598 PolarHBondContact OD1-N 2.78Å
599	I	90.9	Very high	87.6	Confident	49 Å²	49	40.4 Å²	40.4	25%	0.251	20%	0.2	S	C	.	.			trans	-110.8	100.8	-179.2	-57.1	-174.2	0	0	0	107.9	K554 P575 N592 N596 P597	K554-I599 PolarHBondContact NZ-O 3.28Å; P575-I599 HydrophobicContact CG-CG2 4.18Å; N592-I599 HydrophobicContact CB-CD1 4.27Å; N596-I599 PolarHBondContact O-N 3.1Å; P597-I599 VanDerWaalsContact C-N 3.34Å
600	N	91.9	Very high	86.2	Confident	14 Å²	14	42 Å²	42	8%	0.075	21%	0.21	C	C	.	.			trans	-109.3	-2	-179.1	-67.3	-20.6	0	0	0	113	K554 I555 F593 P597	K554-N600 HydrophobicContact CD-CB 4.38Å; K554-N600 WeakPolarHBondContact CE-OD1 3.28Å; K554-N600 PolarHBondContact NZ-OD1 2.72Å; I555-N600 PolarHBondContact N-O 2.89Å; F593-N600 WeakPolarHBondContact CE2-O 3.08Å; P597-N600 PolarHBondContact O-ND2 3.45Å; P597-N600 PolarHBondContact O-OD1 3.12Å; P597-N600 VanDerWaalsContact O-OD1 3.11Å
601	T	94.5	Very high	84.6	Confident	2 Å²	2	42.9 Å²	42.9	1%	0.012	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	130.9	-178.7	-49.3	0	0	0	0	111.2	I545 E549 I555 V557 K574 F603	I545-T601 HydrophobicContact CD1-CG2 4.35Å; I545-T601 HydrophobicContact CG1-CG2 4.35Å; I545-T601 HydrophobicContact CG2-CG2 4.21Å; E549-T601 PolarHBondContact OE1-OG1 2.69Å; I555-T601 HydrophobicContact CB-CG2 4.21Å; I555-T601 HydrophobicContact CG2-CG2 4.26Å; I555-T601 VanDerWaalsContact O-CA 3.32Å; I555-T601 WeakPolarHBondContact O-CA 3.39Å; V557-T601 HydrophobicContact CG2-CG2 4.07Å; K574-T601 HydrophobicContact CG-CG2 4.29Å; T601-F603 HydrophobicContact CG2-CE2 4.27Å
602	I	94.1	Very high	83.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	148.4	171.3	57.7	177.3	0	0	0	110.8	I555 I556 V557 P575 I589 L590 F593 I604 P615	I555-I602 PolarHBondContact O-N 3.17Å; I555-I602 VanDerWaalsContact O-N 3.16Å; I556-I602 HydrophobicContact CD1-CD1 4.22Å; I556-I602 HydrophobicContact CG1-CD1 4.13Å; I556-I602 HydrophobicContact CG1-CG1 3.88Å; V557-I602 PolarHBondContact N-O 3.06Å; P575-I602 HydrophobicContact CB-CG2 4.39Å; I589-I602 HydrophobicContact CG2-CG2 4.07Å; L590-I602 HydrophobicContact CD2-CD1 4.46Å; F593-I602 HydrophobicContact CB-CD1 4.32Å; F593-I602 HydrophobicContact CB-CG2 4.04Å; F593-I602 HydrophobicContact CD1-CD1 3.92Å; F593-I602 HydrophobicContact CD2-CB 4.27Å; F593-I602 HydrophobicContact CD2-CD1 3.99Å; F593-I602 HydrophobicContact CD2-CG1 3.89Å; F593-I602 HydrophobicContact CD2-CG2 3.57Å; F593-I602 HydrophobicContact CE1-CD1 4.12Å; F593-I602 HydrophobicContact CE2-CB 4.5Å; F593-I602 HydrophobicContact CE2-CD1 4.16Å; F593-I602 HydrophobicContact CE2-CG1 3.81Å; F593-I602 HydrophobicContact CE2-CG2 4.24Å; F593-I602 HydrophobicContact CG-CD1 3.81Å; F593-I602 HydrophobicContact CG-CG1 4.24Å; F593-I602 HydrophobicContact CG-CG2 4.01Å; F593-I602 HydrophobicContact CZ-CD1 4.21Å; F593-I602 HydrophobicContact CZ-CG1 4.14Å; I602-I604 HydrophobicContact CD1-CD1 3.75Å; I602-I604 HydrophobicContact CD1-CG1 4.24Å; I602-I604 HydrophobicContact CG1-CD1 4.2Å; I602-I604 HydrophobicContact CG1-CG1 4.29Å; I602-P615 HydrophobicContact CD1-CG 4.08Å
603	F	94.1	Very high	82.1	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	133.2	174.7	-80.8	-100.4	0	0	0	109.9	I545 V557 L565 A569 L572 K574 P575 F576 I577 T601 I623	I545-F603 HydrophobicContact CD1-CE2 4.44Å; I545-F603 HydrophobicContact CD1-CZ 4.11Å; V557-F603 HydrophobicContact CB-CD1 3.69Å; V557-F603 HydrophobicContact CB-CD2 4.36Å; V557-F603 HydrophobicContact CB-CE1 3.58Å; V557-F603 HydrophobicContact CB-CE2 4.25Å; V557-F603 HydrophobicContact CB-CG 4.08Å; V557-F603 HydrophobicContact CB-CZ 3.86Å; V557-F603 HydrophobicContact CG1-CD1 3.72Å; V557-F603 HydrophobicContact CG1-CE1 3.31Å; V557-F603 HydrophobicContact CG1-CZ 3.89Å; V557-F603 HydrophobicContact CG2-CE1 4.13Å; V557-F603 HydrophobicContact CG2-CE2 4.13Å; V557-F603 HydrophobicContact CG2-CZ 3.87Å; V557-F603 CarbonylContact O-C 3.59Å; V557-F603 VanDerWaalsContact O-CA 3.3Å; V557-F603 WeakPolarHBondContact O-CA 3.29Å; L565-F603 HydrophobicContact CD1-CB 3.85Å; L565-F603 HydrophobicContact CD1-CD1 4.03Å; L565-F603 HydrophobicContact CD1-CG 4.46Å; L565-F603 HydrophobicContact CG-CB 4.36Å; A569-F603 HydrophobicContact CB-CB 4.23Å; A569-F603 HydrophobicContact CB-CD2 4.17Å; A569-F603 HydrophobicContact CB-CG 4.06Å; L572-F603 HydrophobicContact CD1-CE2 4.39Å; L572-F603 HydrophobicContact CD1-CZ 3.8Å; K574-F603 HydrophobicContact CB-CD2 3.76Å; K574-F603 HydrophobicContact CB-CE2 3.74Å; K574-F603 HydrophobicContact CG-CD2 4.5Å; K574-F603 HydrophobicContact CG-CE2 3.99Å; P575-F603 PolarHBondContact O-N 3.25Å; F576-F603 CarbonylContact C-O 3.54Å; F576-F603 WeakPolarHBondContact CA-O 3.08Å; F576-F603 HydrophobicContact CB-CB 3.61Å; I577-F603 PolarHBondContact N-O 3.15Å; T601-F603 HydrophobicContact CG2-CE2 4.27Å; F603-I623 HydrophobicContact CE1-CD1 4.06Å
604	I	90.3	Very high	81.2	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.1	-176.9	-50.8	-178.8	0	0	0	109.4	I556 V557 F558 A559 I602 V607 F612 L614	I556-I604 HydrophobicContact CD1-CD1 4.21Å; I556-I604 HydrophobicContact CG2-CD1 3.69Å; I556-I604 HydrophobicContact CG2-CG1 4.09Å; V557-I604 PolarHBondContact O-N 3.2Å; F558-I604 WeakPolarHBondContact CA-O 3.49Å; A559-I604 PolarHBondContact N-O 3.44Å; I602-I604 HydrophobicContact CD1-CD1 3.75Å; I602-I604 HydrophobicContact CD1-CG1 4.24Å; I602-I604 HydrophobicContact CG1-CD1 4.2Å; I602-I604 HydrophobicContact CG1-CG1 4.29Å; I604-V607 HydrophobicContact CG2-CG2 4.28Å; I604-F612 HydrophobicContact CG2-CZ 3.92Å; I604-L614 HydrophobicContact CD1-CD2 3.34Å
605	S	88.9	Confident	80.6	Confident	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.199	C	C	.	.			trans	-85.5	-172.3	171.3	78.1	0	0	0	0	112.8	F558 A559 I577 Y578 V607 G608 E724	F558-S605 VanDerWaalsContact CE2-O 3.22Å; F558-S605 WeakPolarHBondContact CE2-O 3.39Å; A559-S605 WeakPolarHBondContact O-CA 3.46Å; I577-S605 PolarHBondContact O-N 2.72Å; Y578-S605 WeakPolarHBondContact CA-OG 3.41Å; S605-V607 PolarHBondContact O-N 2.69Å; S605-V607 VanDerWaalsContact OG-CG2 3.31Å; S605-V607 WeakPolarHBondContact OG-CG2 3.48Å; S605-G608 PolarHBondContact O-N 3.44Å; S605-E724 WeakPolarHBondContact CB-OE2 3.34Å; S605-E724 PolarHBondContact OG-OE2 3.39Å
606	K	80.4	Confident	80.1	Confident	22 Å²	22	37.4 Å²	37.4	10%	0.096	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-19.6	176.1	-162.2	170.6	-174.9	176.5	0	114.6	G608 D609 E723 V726 E729	K606-G608 PolarHBondContact O-N 3.41Å; K606-G608 VanDerWaalsContact O-N 3.1Å; K606-D609 PolarHBondContact O-N 2.93Å; K606-D609 VanDerWaalsContact O-N 3.07Å; K606-E723 IonicContact NZ-OE2 2.58Å; K606-E723 PolarHBondContact NZ-OE2 2.94Å; K606-V726 HydrophobicContact CB-CG2 4.17Å; K606-V726 HydrophobicContact CG-CG2 4.16Å; K606-E729 IonicContact NZ-OE2 2.69Å
607	V	78.4	Confident	79.7	Confident	7 Å²	7	35 Å²	35	4%	0.042	18%	0.182	C	C	.	.	H	α-helix	trans	-55.2	-26.4	171.7	-62.6	0	0	0	0	114.1	I577 I604 S605 D609 S611 F612 V726	I577-V607 HydrophobicContact CG2-CG2 4.2Å; I604-V607 HydrophobicContact CG2-CG2 4.28Å; S605-V607 PolarHBondContact O-N 2.69Å; S605-V607 VanDerWaalsContact OG-CG2 3.31Å; S605-V607 WeakPolarHBondContact OG-CG2 3.48Å; V607-D609 VanDerWaalsContact C-N 3.26Å; V607-D609 PolarHBondContact O-N 3.49Å; V607-S611 WeakPolarHBondContact O-CB 3.43Å; V607-S611 PolarHBondContact O-N 2.97Å; V607-F612 HydrophobicContact CB-CE1 4.04Å; V607-F612 HydrophobicContact CG2-CE1 3.78Å; V607-F612 HydrophobicContact CG2-CZ 4.25Å; V607-F612 VanDerWaalsContact O-CE1 3.25Å; V607-F612 WeakPolarHBondContact O-CE1 3.13Å; V607-V726 HydrophobicContact CG1-CG2 4.46Å
608	G	72.6	Confident	79.7	Confident	2 Å²	2	31.2 Å²	31.2	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-25.2	177.5	0	0	0	0	0	113.8	S605 K606 L614	S605-G608 PolarHBondContact O-N 3.44Å; K606-G608 PolarHBondContact O-N 3.41Å; K606-G608 VanDerWaalsContact O-N 3.1Å; G608-L614 WeakPolarHBondContact O-CD1 3.46Å
609	D	71.3	Confident	79.8	Confident	13 Å²	13	22.3 Å²	22.3	7%	0.07	12%	0.117	C	C	.	.	H	α-helix	trans	-76.9	-31.3	-172.1	-66.3	-33.4	0	0	0	113.2	K606 V607 R636 R639	K606-D609 PolarHBondContact O-N 2.93Å; K606-D609 VanDerWaalsContact O-N 3.07Å; V607-D609 VanDerWaalsContact C-N 3.26Å; V607-D609 PolarHBondContact O-N 3.49Å; D609-R636 IonicContact OD1-CZ 2.8Å; D609-R636 IonicContact OD1-NE 3.95Å; D609-R636 PolarHBondContact OD1-NE 2.91Å; D609-R636 IonicContact OD1-NH2 3.93Å; D609-R636 PolarHBondContact OD1-NH2 3.39Å; D609-R636 IonicContact OD2-CZ 2.76Å; D609-R636 IonicContact OD2-NE 2.99Å; D609-R636 IonicContact OD2-NH2 3.25Å; D609-R636 PolarHBondContact OD2-NH2 2.94Å; D609-R639 PolarHBondContact O-NH1 3.45Å
610	T	61.6	Low	79.9	Confident	54 Å²	54	20 Å²	20	33%	0.331	11%	0.106	S	C	.	.	H	α-helix	trans	-120.2	-26.1	-166.5	55.7	0	0	0	0	114.1	S364	S364-T610 PolarHBondContact OG-O 3.23Å
611	S	52	Low	80	Confident	30 Å²	30	19.3 Å²	19.3	21%	0.21	10%	0.102	C	C	.	.	S	Bend	trans	-119.5	-5	-150.5	-60.5	0	0	0	0	116.1	V366 V607	V366-S611 WeakPolarHBondContact CB-O 3.07Å; V366-S611 WeakPolarHBondContact CG2-O 3.44Å; V607-S611 WeakPolarHBondContact O-CB 3.43Å; V607-S611 PolarHBondContact O-N 2.97Å
612	F	63.8	Low	79.8	Confident	30 Å²	30	19.4 Å²	19.4	13%	0.132	10%	0.102	C	C	.	.	S	Bend	trans	-163.4	162.2	175.7	56.6	-84.5	0	0	0	115.5	V366 I577 L590 I604 V607 L614	V366-F612 HydrophobicContact CG1-CB 4.45Å; I577-F612 HydrophobicContact CG2-CZ 4.24Å; L590-F612 HydrophobicContact CD1-CD2 3.91Å; L590-F612 HydrophobicContact CD1-CE2 4.25Å; L590-F612 HydrophobicContact CD2-CE2 4.21Å; I604-F612 HydrophobicContact CG2-CZ 3.92Å; V607-F612 HydrophobicContact CB-CE1 4.04Å; V607-F612 HydrophobicContact CG2-CE1 3.78Å; V607-F612 HydrophobicContact CG2-CZ 4.25Å; V607-F612 VanDerWaalsContact O-CE1 3.25Å; V607-F612 WeakPolarHBondContact O-CE1 3.13Å; F612-L614 HydrophobicContact CE2-CD2 3.97Å; F612-L614 HydrophobicContact CE2-CG 4.36Å; F612-L614 HydrophobicContact CZ-CD2 4.5Å; F612-L614 PolarHBondContact O-N 2.85Å
613	D	65.4	Low	79.7	Confident	84 Å²	84	19.5 Å²	19.5	45%	0.449	10%	0.103	S	C	.	.			trans	-64.4	99.1	174.9	179.6	49.2	0	0	0	110.7	K594	K594-D613 IonicContact NZ-OD2 3.65Å; K594-D613 PolarHBondContact NZ-OD2 3.36Å
614	L	72.3	Confident	79	Confident	20 Å²	20	19.6 Å²	19.6	11%	0.105	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-67.7	131	174.7	-81.4	159.8	0	0	0	109.7	I556 I604 G608 F612 V640	I556-L614 HydrophobicContact CD1-CD2 4.42Å; I604-L614 HydrophobicContact CD1-CD2 3.34Å; G608-L614 WeakPolarHBondContact O-CD1 3.46Å; F612-L614 HydrophobicContact CE2-CD2 3.97Å; F612-L614 HydrophobicContact CE2-CG 4.36Å; F612-L614 HydrophobicContact CZ-CD2 4.5Å; F612-L614 PolarHBondContact O-N 2.85Å; L614-V640 HydrophobicContact CB-CG2 4.35Å; L614-V640 HydrophobicContact CD1-CG2 3.74Å; L614-V640 HydrophobicContact CG-CG2 4.47Å
615	P	72.8	Confident	77.8	Confident	1 Å²	1	19.9 Å²	19.9	1%	0.006	11%	0.105	C	C	.	.	P	Polyproline II helix	trans	-66.9	152.2	179.2	27.6	-32.8	0	0	0	110.6	I556 L590 F593 K594 I602 A617	I556-P615 HydrophobicContact CD1-CG 4.21Å; L590-P615 HydrophobicContact CD2-CG 4.01Å; F593-P615 HydrophobicContact CD1-CB 3.59Å; F593-P615 HydrophobicContact CD1-CG 3.31Å; F593-P615 HydrophobicContact CE1-CB 3.83Å; F593-P615 HydrophobicContact CE1-CG 3.5Å; F593-P615 HydrophobicContact CG-CG 4.4Å; K594-P615 HydrophobicContact CD-CB 4.13Å; K594-P615 VanDerWaalsContact CE-CB 3.46Å; K594-P615 HydrophobicContact CG-CB 3.55Å; I602-P615 HydrophobicContact CD1-CG 4.08Å; P615-A617 PolarHBondContact O-N 2.97Å
616	E	78.4	Confident	76.6	Confident	121 Å²	121	22.2 Å²	22.2	57%	0.565	12%	0.116	S	C	*	.	P	Polyproline II helix	trans	-59	123.7	175.6	-52.8	-167.7	151.4	0	0	109.7	R642	E616-R642 HydrophobicContact CB-CB 4.02Å; E616-R642 HydrophobicContact CB-CG 3.92Å; E616-R642 HydrophobicContact CG-CB 4.36Å; E616-R642 HydrophobicContact CG-CG 3.87Å
617	A	84.4	Confident	75.4	Confident	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-129.1	155.9	176.2	0	0	0	0	0	111.1	K554 I556 F593 P615 V640 L641 R642	K554-A617 HydrophobicContact CB-CB 4.41Å; I556-A617 HydrophobicContact CB-CB 4.47Å; I556-A617 HydrophobicContact CD1-CB 3.7Å; I556-A617 HydrophobicContact CG1-CB 3.68Å; F593-A617 HydrophobicContact CZ-CB 4.39Å; P615-A617 PolarHBondContact O-N 2.97Å; A617-V640 HydrophobicContact CB-CG1 3.73Å; A617-V640 PolarHBondContact N-O 2.89Å; A617-V640 VanDerWaalsContact N-O 3.1Å; A617-L641 WeakPolarHBondContact O-CA 3.34Å; A617-R642 PolarHBondContact O-N 3.2Å; A617-R642 VanDerWaalsContact O-N 3.08Å
618	N	87.5	Confident	74.3	Confident	18 Å²	18	24.9 Å²	24.9	10%	0.096	15%	0.152	C	C	.	.	S	Bend	trans	-98.9	-30.2	179.6	-53.4	110.8	0	0	0	111.4	D553 K554 R642 A654 Y655	D553-N618 HydrophobicContact CB-CB 4.23Å; K554-N618 PolarHBondContact N-OD1 2.78Å; K554-N618 PolarHBondContact O-N 3.32Å; N618-R642 PolarHBondContact ND2-O 2.69Å; N618-A654 CarbonylContact O-C 3.55Å; N618-A654 VanDerWaalsContact O-CA 3.25Å; N618-A654 WeakPolarHBondContact O-CA 3.22Å; N618-Y655 PolarHBondContact O-N 3.28Å
619	V	91.3	Very high	73.8	Confident	0 Å²	0	25.6 Å²	25.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	126	-175.5	-174.7	0	0	0	0	109.2	H548 D553 K554 I555 I556 I621 Y655 Y657	H548-V619 HydrophobicContact CB-CG2 4.17Å; H548-V619 WeakPolarHBondContact ND1-CG2 3.45Å; D553-V619 HydrophobicContact CB-CG2 3.97Å; K554-V619 PolarHBondContact O-N 3.1Å; I555-V619 WeakPolarHBondContact CA-O 3.19Å; I555-V619 HydrophobicContact CB-CB 4.48Å; I555-V619 HydrophobicContact CG1-CB 4.21Å; I555-V619 HydrophobicContact CG2-CB 4.34Å; I555-V619 HydrophobicContact CG2-CG1 4.29Å; I556-V619 PolarHBondContact N-O 3.37Å; V619-I621 HydrophobicContact CG1-CD1 4.47Å; V619-I621 HydrophobicContact CG1-CG1 4.04Å; V619-Y655 WeakPolarHBondContact CA-O 3.45Å; V619-Y655 HydrophobicContact CG2-CD2 4.25Å; V619-Y657 HydrophobicContact CG1-CD2 3.9Å; V619-Y657 HydrophobicContact CG1-CE2 3.93Å
620	L	92.2	Very high	73.9	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.5	172.5	177.1	62.8	0	0	0	108.6	I556 F558 R636 V640 L641 Y655 F656 Y657	I556-L620 HydrophobicContact CB-CD1 4.26Å; I556-L620 HydrophobicContact CG2-CD1 4.09Å; I556-L620 WeakPolarHBondContact O-CA 3.37Å; F558-L620 HydrophobicContact CB-CD1 4.27Å; L620-R636 HydrophobicContact CD2-CG 4.2Å; L620-V640 HydrophobicContact CB-CG1 4.43Å; L620-V640 HydrophobicContact CD1-CG1 4.37Å; L620-L641 HydrophobicContact CB-CD2 3.91Å; L620-L641 HydrophobicContact CB-CG 4.47Å; L620-Y655 PolarHBondContact N-O 3.38Å; L620-F656 HydrophobicContact CB-CD2 4.08Å; L620-F656 HydrophobicContact CD2-CD2 3.74Å; L620-F656 HydrophobicContact CD2-CE2 3.88Å; L620-F656 HydrophobicContact CG-CD2 3.88Å; L620-F656 HydrophobicContact CG-CE2 4.14Å; L620-F656 CarbonylContact O-C 3.59Å; L620-F656 WeakPolarHBondContact O-CA 3.2Å; L620-Y657 PolarHBondContact O-N 2.78Å
621	I	93.6	Very high	74.2	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	121	176.3	-56.2	176.6	0	0	0	108.2	L544 I545 I555 I556 V557 F558 V619 Y657 L659	L544-I621 HydrophobicContact CB-CD1 3.8Å; I545-I621 HydrophobicContact CG1-CD1 4.09Å; I555-I621 HydrophobicContact CG2-CD1 3.9Å; I555-I621 HydrophobicContact CG2-CG1 4.3Å; I556-I621 PolarHBondContact O-N 2.85Å; V557-I621 CarbonylContact C-O 3.18Å; V557-I621 WeakPolarHBondContact CA-O 3.44Å; V557-I621 HydrophobicContact CG1-CB 4.39Å; V557-I621 HydrophobicContact CG1-CG2 4.47Å; V557-I621 HydrophobicContact CG2-CB 4.33Å; V557-I621 HydrophobicContact CG2-CD1 4.45Å; F558-I621 PolarHBondContact N-O 3.42Å; V619-I621 HydrophobicContact CG1-CD1 4.47Å; V619-I621 HydrophobicContact CG1-CG1 4.04Å; I621-Y657 CarbonylContact C-O 3.56Å; I621-Y657 WeakPolarHBondContact CA-O 3.35Å; I621-Y657 HydrophobicContact CG1-CD2 4.15Å; I621-L659 HydrophobicContact CG2-CD1 4.02Å; I621-L659 HydrophobicContact CG2-CG 4.14Å
622	Q	91.5	Very high	75.1	Confident	4 Å²	4	30.2 Å²	30.2	2%	0.019	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119.8	176.4	-175.8	174.9	6.3	0	0	109.8	F558 S624 E633 F656 Y657 L659	F558-Q622 HydrophobicContact CD1-CG 4.32Å; Q622-S624 WeakPolarHBondContact CG-O 3.26Å; Q622-S624 PolarHBondContact NE2-O 3.06Å; Q622-S624 VanDerWaalsContact NE2-O 3.14Å; Q622-E633 PolarHBondContact NE2-OE1 3.5Å; Q622-F656 HydrophobicContact CB-CE2 4.27Å; Q622-Y657 PolarHBondContact N-O 2.98Å; Q622-L659 PolarHBondContact O-N 2.94Å
623	I	90.1	Very high	75.7	Confident	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.163	C	C	.	.	S	Bend	trans	-87	-49.8	-177.7	-64	171.9	0	0	0	111.5	K537 V557 F558 A559 Y568 F603 L659	K537-I623 HydrophobicContact CD-CG2 3.95Å; K537-I623 PolarHBondContact NZ-O 3.12Å; V557-I623 HydrophobicContact CG1-CD1 3.44Å; V557-I623 VanDerWaalsContact CG1-CD1 3.44Å; V557-I623 HydrophobicContact CG1-CG1 3.82Å; F558-I623 PolarHBondContact O-N 3.25Å; A559-I623 HydrophobicContact CB-CB 4.27Å; A559-I623 HydrophobicContact CB-CD1 4.35Å; Y568-I623 HydrophobicContact CD1-CD1 3.52Å; Y568-I623 HydrophobicContact CD2-CD1 4.46Å; Y568-I623 HydrophobicContact CE1-CD1 3.69Å; Y568-I623 HydrophobicContact CE1-CG1 4.33Å; Y568-I623 HydrophobicContact CE1-CG2 4.22Å; Y568-I623 HydrophobicContact CE2-CG2 4.27Å; Y568-I623 HydrophobicContact CG-CD1 3.92Å; F603-I623 HydrophobicContact CE1-CD1 4.06Å; I623-L659 HydrophobicContact CG1-CD1 4.39Å
624	S	79.8	Confident	76	Confident	3 Å²	3	26 Å²	26	2%	0.021	14%	0.144	C	C	.	.			trans	-112.4	144.8	176.1	65.4	0	0	0	0	108.9	D560 Q622	D560-S624 WeakPolarHBondContact CB-OG 3.29Å; D560-S624 PolarHBondContact N-OG 3.15Å; D560-S624 PolarHBondContact OD2-OG 2.88Å; Q622-S624 WeakPolarHBondContact CG-O 3.26Å; Q622-S624 PolarHBondContact NE2-O 3.06Å; Q622-S624 VanDerWaalsContact NE2-O 3.14Å
625	S	65	Low	76	Confident	6 Å²	6	25.9 Å²	25.9	4%	0.042	14%	0.143	C	C	.	.			trans	-131.8	81	164.9	66.6	0	0	0	0	108.4	E633 R673	S625-E633 WeakPolarHBondContact CB-OE1 3.44Å; S625-R673 PolarHBondContact OG-NH2 3.09Å
626	H	64	Low	76.2	Confident	50 Å²	50	26.5 Å²	26.5	23%	0.231	15%	0.145	C	C	.	.			trans	-100.3	147.1	167.5	-152.9	60.6	0	0	0	108.3	Y531 D560 E723	Y531-H626 PolarHBondContact OH-ND1 3.07Å; D560-H626 PolarHBondContact OD2-N 3.27Å; H626-E723 HydrophobicContact CB-CG 4.5Å; H626-E723 VanDerWaalsContact CB-OE1 3.23Å; H626-E723 WeakPolarHBondContact CB-OE1 3.43Å; H626-E723 IonicContact CD2-OE1 3.45Å; H626-E723 PolarHBondContact CD2-OE1 2.92Å; H626-E723 IonicContact CG-OE1 3.07Å
627	G	56.8	Low	76.1	Confident	37 Å²	37	20.9 Å²	20.9	38%	0.381	12%	0.118	S	C	.	.	S	Bend	trans	92.4	114.7	-175.6	0	0	0	0	0	113.4	S629 E723	G627-S629 PolarHBondContact O-N 2.91Å; G627-E723 PolarHBondContact N-OE1 3.44Å
628	G	53.3	Low	75.5	Confident	48 Å²	48	21.2 Å²	21.2	50%	0.495	12%	0.122	S	C	.	.	S	Bend	trans	-68.7	15.9	-172.9	0	0	0	0	0	117	R630	G628-R630 PolarHBondContact O-N 2.82Å
629	S	63.8	Low	74.7	Confident	16 Å²	16	23.6 Å²	23.6	11%	0.112	13%	0.13	C	C	.	.			trans	-85.8	82.2	-179.8	-161.3	0	0	0	0	111.8	E470 G627 R631 Q632 E633	E470-S629 VanDerWaalsContact OE1-CA 3.29Å; E470-S629 WeakPolarHBondContact OE1-CA 3.19Å; E470-S629 VanDerWaalsContact OE1-CB 3.26Å; E470-S629 WeakPolarHBondContact OE1-CB 3.33Å; E470-S629 PolarHBondContact OE1-OG 2.81Å; G627-S629 PolarHBondContact O-N 2.91Å; S629-R631 PolarHBondContact O-N 2.95Å; S629-Q632 PolarHBondContact O-N 2.73Å; S629-Q632 WeakPolarHBondContact OG-CG 3.45Å; S629-E633 PolarHBondContact O-N 2.94Å
630	R	71.9	Confident	73.9	Confident	102 Å²	102	23.7 Å²	23.7	39%	0.385	13%	0.13	S	C	.	.	H	α-helix	trans	-51.3	-25.8	172.5	-55	174	-149.3	172.3	9.1	112	G628 A634 F676	G628-R630 PolarHBondContact O-N 2.82Å; R630-A634 PolarHBondContact O-N 2.92Å; R630-F676 HydrophobicContact CB-CB 4.36Å; R630-F676 HydrophobicContact CB-CD1 3.81Å; R630-F676 HydrophobicContact CB-CE1 4.19Å; R630-F676 HydrophobicContact CB-CG 3.98Å; R630-F676 VanDerWaalsContact O-CE1 3.29Å; R630-F676 WeakPolarHBondContact O-CE1 3.43Å
631	R	68.3	Low	73	Confident	30 Å²	30	24 Å²	24	11%	0.113	13%	0.132	C	C	.	.	H	α-helix	trans	-75.6	-44.8	179.7	-59.5	-175	-157.4	132.1	-3.9	112.8	V468 R469 E470 S629 E633 A634 Q635	V468-R631 VanDerWaalsContact C-NH2 3.32Å; V468-R631 WeakPolarHBondContact O-CD 3.43Å; V468-R631 PolarHBondContact O-NE 3.41Å; V468-R631 PolarHBondContact O-NH1 2.98Å; V468-R631 VanDerWaalsContact O-NH1 3.13Å; R469-R631 VanDerWaalsContact N-CZ 3.26Å; R469-R631 VanDerWaalsContact N-NH2 3.17Å; R469-R631 PolarHBondContact O-NH2 3.36Å; E470-R631 VanDerWaalsContact CB-NH1 3.33Å; E470-R631 VanDerWaalsContact CG-NH1 3.34Å; E470-R631 IonicContact OE1-NH1 2.73Å; S629-R631 PolarHBondContact O-N 2.95Å; R631-E633 PolarHBondContact O-N 3.43Å; R631-A634 PolarHBondContact O-N 2.86Å; R631-Q635 VanDerWaalsContact O-CB 3.27Å; R631-Q635 WeakPolarHBondContact O-CB 3.37Å; R631-Q635 PolarHBondContact O-N 3.14Å
632	Q	71.7	Confident	72	Confident	63 Å²	63	27.2 Å²	27.2	29%	0.294	14%	0.144	S	C	.	.	H	α-helix	trans	-57.4	-40.6	175.6	-71.4	178.4	-5.5	0	0	109.9	S629 Q635 R636	S629-Q632 PolarHBondContact O-N 2.73Å; S629-Q632 WeakPolarHBondContact OG-CG 3.45Å; Q632-Q635 PolarHBondContact O-N 3.37Å; Q632-R636 WeakPolarHBondContact O-CB 3.4Å; Q632-R636 PolarHBondContact O-N 3.18Å
633	E	75.1	Confident	70.7	Confident	20 Å²	20	28.9 Å²	28.9	9%	0.093	16%	0.158	C	C	.	.	H	α-helix	trans	-63.5	-46.8	176.3	-64.8	-175.7	153.2	0	0	113.1	Q622 S625 S629 R631 R636 L637 R673	Q622-E633 PolarHBondContact NE2-OE1 3.5Å; S625-E633 WeakPolarHBondContact CB-OE1 3.44Å; S629-E633 PolarHBondContact O-N 2.94Å; R631-E633 PolarHBondContact O-N 3.43Å; E633-R636 WeakPolarHBondContact O-CB 3.35Å; E633-R636 PolarHBondContact O-N 3.17Å; E633-L637 WeakPolarHBondContact O-CB 3.35Å; E633-L637 PolarHBondContact O-N 3.48Å; E633-R673 IonicContact OE1-CZ 3.05Å; E633-R673 IonicContact OE1-NE 2.7Å; E633-R673 PolarHBondContact OE1-NE 3Å; E633-R673 IonicContact OE1-NH2 3.78Å; E633-R673 PolarHBondContact OE1-NH2 3.11Å; E633-R673 IonicContact OE2-CZ 2.77Å; E633-R673 IonicContact OE2-NE 3.1Å; E633-R673 PolarHBondContact OE2-NE 3.44Å; E633-R673 IonicContact OE2-NH2 2.78Å; E633-R673 PolarHBondContact OE2-NH2 2.96Å
634	A	72.6	Confident	69.6	Low	6 Å²	6	31.7 Å²	31.7	5%	0.05	17%	0.17	C	C	.	.	H	α-helix	trans	-68.5	-35	176.4	0	0	0	0	0	113.2	R630 R631 L637 G638 F676	R630-A634 PolarHBondContact O-N 2.92Å; R631-A634 PolarHBondContact O-N 2.86Å; A634-L637 PolarHBondContact O-N 3.46Å; A634-G638 PolarHBondContact O-N 2.93Å; A634-F676 HydrophobicContact CB-CE1 3.64Å; A634-F676 HydrophobicContact CB-CZ 4.32Å
635	Q	72.7	Confident	68.7	Low	17 Å²	17	40.7 Å²	40.7	8%	0.079	21%	0.209	C	C	.	.	H	α-helix	trans	-65.1	-42.2	174.3	-168	-177.2	27.5	0	0	110.6	C339 E439 R631 Q632 G638 R639	C339-Q635 VanDerWaalsContact SG-CG 3.57Å; E439-Q635 PolarHBondContact OE1-NE2 2.9Å; E439-Q635 PolarHBondContact OE2-NE2 3.05Å; R631-Q635 VanDerWaalsContact O-CB 3.27Å; R631-Q635 WeakPolarHBondContact O-CB 3.37Å; R631-Q635 PolarHBondContact O-N 3.14Å; Q632-Q635 PolarHBondContact O-N 3.37Å; Q635-G638 PolarHBondContact O-N 3.1Å; Q635-R639 WeakPolarHBondContact O-CB 3.38Å; Q635-R639 VanDerWaalsContact O-CG 3.23Å; Q635-R639 WeakPolarHBondContact O-CG 3.27Å; Q635-R639 PolarHBondContact O-N 3.27Å
636	R	76.1	Confident	68.3	Low	13 Å²	13	44 Å²	44	5%	0.049	24%	0.244	C	C	.	.	H	α-helix	trans	-60.4	-49.8	173.6	-176.3	-168.7	-60.7	158.4	0.2	110.7	D609 L620 Q632 E633 G638 R639 V640	D609-R636 IonicContact OD1-CZ 2.8Å; D609-R636 IonicContact OD1-NE 3.95Å; D609-R636 PolarHBondContact OD1-NE 2.91Å; D609-R636 IonicContact OD1-NH2 3.93Å; D609-R636 PolarHBondContact OD1-NH2 3.39Å; D609-R636 IonicContact OD2-CZ 2.76Å; D609-R636 IonicContact OD2-NE 2.99Å; D609-R636 IonicContact OD2-NH2 3.25Å; D609-R636 PolarHBondContact OD2-NH2 2.94Å; L620-R636 HydrophobicContact CD2-CG 4.2Å; Q632-R636 WeakPolarHBondContact O-CB 3.4Å; Q632-R636 PolarHBondContact O-N 3.18Å; E633-R636 WeakPolarHBondContact O-CB 3.35Å; E633-R636 PolarHBondContact O-N 3.17Å; R636-G638 VanDerWaalsContact C-N 3.33Å; R636-G638 PolarHBondContact O-N 3.17Å; R636-R639 PolarHBondContact O-N 3.02Å; R636-R639 VanDerWaalsContact O-N 3.13Å; R636-V640 HydrophobicContact CG-CG2 4.33Å; R636-V640 WeakPolarHBondContact O-CB 3.49Å; R636-V640 WeakPolarHBondContact O-CG2 3.43Å; R636-V640 PolarHBondContact O-N 3.47Å
637	L	76.6	Confident	68	Low	3 Å²	3	43.9 Å²	43.9	2%	0.016	24%	0.244	C	C	.	.	H	α-helix	trans	-54.5	-50.3	176.4	-172.1	158.1	0	0	0	110.6	V502 E633 A634 R639 L641 F656 L677 Y682	V502-L637 HydrophobicContact CB-CD2 4.46Å; V502-L637 HydrophobicContact CG1-CD1 4.39Å; V502-L637 HydrophobicContact CG1-CD2 4.22Å; V502-L637 HydrophobicContact CG2-CD2 4.04Å; E633-L637 WeakPolarHBondContact O-CB 3.35Å; E633-L637 PolarHBondContact O-N 3.48Å; A634-L637 PolarHBondContact O-N 3.46Å; L637-R639 PolarHBondContact O-N 2.91Å; L637-L641 HydrophobicContact CD2-CD1 3.87Å; L637-L641 HydrophobicContact CG-CD1 3.71Å; L637-L641 VanDerWaalsContact O-CB 3.3Å; L637-L641 WeakPolarHBondContact O-CB 3.46Å; L637-L641 WeakPolarHBondContact O-CG 3.21Å; L637-L641 PolarHBondContact O-N 3.31Å; L637-F656 HydrophobicContact CD1-CB 4.06Å; L637-F656 HydrophobicContact CD1-CD1 3.88Å; L637-F656 HydrophobicContact CD1-CD2 4.32Å; L637-F656 HydrophobicContact CD1-CE1 4.41Å; L637-F656 HydrophobicContact CD1-CG 3.82Å; L637-L677 HydrophobicContact CD1-CD2 4.5Å; L637-Y682 HydrophobicContact CD1-CE1 4.48Å; L637-Y682 HydrophobicContact CD2-CD1 4.5Å; L637-Y682 HydrophobicContact CD2-CE1 3.6Å
638	G	70.9	Confident	68	Low	7 Å²	7	49.1 Å²	49.1	7%	0.072	27%	0.269	C	S	.	.	H	α-helix	trans	-70.8	-22.8	179	0	0	0	0	0	114.7	C339 A634 Q635 R636 R642	C339-G638 CarbonylContact C-O 3.52Å; C339-G638 WeakPolarHBondContact CB-O 3.35Å; C339-G638 VanDerWaalsContact O-O 3.13Å; A634-G638 PolarHBondContact O-N 2.93Å; Q635-G638 PolarHBondContact O-N 3.1Å; R636-G638 VanDerWaalsContact C-N 3.33Å; R636-G638 PolarHBondContact O-N 3.17Å; G638-R642 PolarHBondContact O-NH1 2.83Å
639	R	71.7	Confident	68	Low	69 Å²	69	51.8 Å²	51.8	26%	0.26	29%	0.286	S	S	.	.	H	α-helix	trans	-80.5	-43.9	176.2	-78.8	176	178.7	-171	0	112	C339 E439 D609 Q635 R636 L637 R642	C339-R639 HydrophobicContact CB-CG 3.74Å; E439-R639 IonicContact OE1-CZ 3.63Å; E439-R639 IonicContact OE1-NE 3.55Å; E439-R639 IonicContact OE1-NH2 3.22Å; E439-R639 PolarHBondContact OE1-NH2 3.38Å; D609-R639 PolarHBondContact O-NH1 3.45Å; Q635-R639 WeakPolarHBondContact O-CB 3.38Å; Q635-R639 VanDerWaalsContact O-CG 3.23Å; Q635-R639 WeakPolarHBondContact O-CG 3.27Å; Q635-R639 PolarHBondContact O-N 3.27Å; R636-R639 PolarHBondContact O-N 3.02Å; R636-R639 VanDerWaalsContact O-N 3.13Å; L637-R639 PolarHBondContact O-N 2.91Å; R639-R642 VanDerWaalsContact O-CZ 3.32Å; R639-R642 PolarHBondContact O-NH1 3.37Å; R639-R642 PolarHBondContact O-NH2 3.32Å
640	V	74.9	Confident	68	Low	2 Å²	2	55.7 Å²	55.7	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-79.9	-47.4	-173.3	173.6	0	0	0	0	111.8	I556 L614 A617 L620 R636 R642	I556-V640 HydrophobicContact CB-CG1 4.43Å; I556-V640 HydrophobicContact CD1-CG1 3.86Å; I556-V640 HydrophobicContact CG1-CG1 4.48Å; L614-V640 HydrophobicContact CB-CG2 4.35Å; L614-V640 HydrophobicContact CD1-CG2 3.74Å; L614-V640 HydrophobicContact CG-CG2 4.47Å; A617-V640 HydrophobicContact CB-CG1 3.73Å; A617-V640 PolarHBondContact N-O 2.89Å; A617-V640 VanDerWaalsContact N-O 3.1Å; L620-V640 HydrophobicContact CB-CG1 4.43Å; L620-V640 HydrophobicContact CD1-CG1 4.37Å; R636-V640 HydrophobicContact CG-CG2 4.33Å; R636-V640 WeakPolarHBondContact O-CB 3.49Å; R636-V640 WeakPolarHBondContact O-CG2 3.43Å; R636-V640 PolarHBondContact O-N 3.47Å; V640-R642 PolarHBondContact O-N 3.29Å
641	L	72.6	Confident	67.8	Low	6 Å²	6	58.4 Å²	58.4	3%	0.031	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-76.8	125.7	-170.1	-62.3	-180	0	0	0	110.9	V502 A617 L620 L637 A654 F656	V502-L641 HydrophobicContact CB-CD1 4.18Å; V502-L641 HydrophobicContact CG1-CD1 3.43Å; V502-L641 VanDerWaalsContact CG1-CD1 3.43Å; V502-L641 HydrophobicContact CG2-CB 4.2Å; V502-L641 HydrophobicContact CG2-CD1 3.6Å; A617-L641 WeakPolarHBondContact O-CA 3.34Å; L620-L641 HydrophobicContact CB-CD2 3.91Å; L620-L641 HydrophobicContact CB-CG 4.47Å; L637-L641 HydrophobicContact CD2-CD1 3.87Å; L637-L641 HydrophobicContact CG-CD1 3.71Å; L637-L641 VanDerWaalsContact O-CB 3.3Å; L637-L641 WeakPolarHBondContact O-CB 3.46Å; L637-L641 WeakPolarHBondContact O-CG 3.21Å; L637-L641 PolarHBondContact O-N 3.31Å; L641-A654 HydrophobicContact CB-CB 4.18Å; L641-A654 HydrophobicContact CD1-CB 4.33Å; L641-A654 HydrophobicContact CD2-CB 4.28Å; L641-F656 HydrophobicContact CD1-CB 4.24Å
642	R	72.4	Confident	68	Low	68 Å²	68	60.4 Å²	60.4	26%	0.257	33%	0.327	S	S	.	.			trans	-133.6	149.9	176.1	-67.6	-69.4	-178.3	-85.1	-9.5	110	E616 A617 N618 G638 R639 V640 K644	E616-R642 HydrophobicContact CB-CB 4.02Å; E616-R642 HydrophobicContact CB-CG 3.92Å; E616-R642 HydrophobicContact CG-CB 4.36Å; E616-R642 HydrophobicContact CG-CG 3.87Å; A617-R642 PolarHBondContact O-N 3.2Å; A617-R642 VanDerWaalsContact O-N 3.08Å; N618-R642 PolarHBondContact ND2-O 2.69Å; G638-R642 PolarHBondContact O-NH1 2.83Å; R639-R642 VanDerWaalsContact O-CZ 3.32Å; R639-R642 PolarHBondContact O-NH1 3.37Å; R639-R642 PolarHBondContact O-NH2 3.32Å; V640-R642 PolarHBondContact O-N 3.29Å; R642-K644 PolarHBondContact O-N 3.33Å
643	A	63.7	Low	68.3	Low	39 Å²	39	58.8 Å²	58.8	32%	0.322	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-67.2	132.3	179.5	0	0	0	0	0	109.5	A500 K645	A500-A643 HydrophobicContact CB-CB 4.15Å; A643-K645 PolarHBondContact O-N 2.96Å
644	K	67.4	Low	68.8	Low	60 Å²	60	57.9 Å²	57.9	26%	0.261	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-66.6	121.8	171.6	-170.7	157.1	164.3	-168.7	0	109.3	R551 D553 R642 G646 M647	R551-K644 PolarHBondContact O-NZ 2.87Å; D553-K644 IonicContact OD1-NZ 3.58Å; D553-K644 PolarHBondContact OD1-NZ 3.5Å; R642-K644 PolarHBondContact O-N 3.33Å; K644-G646 PolarHBondContact O-N 2.88Å; K644-M647 HydrophobicContact CB-SD 4.23Å; K644-M647 HydrophobicContact CD-CG 4.42Å; K644-M647 HydrophobicContact CD-SD 3.49Å; K644-M647 WeakPolarHBondContact CD-SD 3.48Å; K644-M647 HydrophobicContact CG-CG 4.39Å; K644-M647 HydrophobicContact CG-SD 4.03Å; K644-M647 PolarHBondContact O-N 3.21Å
645	K	61.3	Low	69.7	Low	192 Å²	192	59.4 Å²	59.4	84%	0.835	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	119.3	175.1	-65.6	-179.7	-178.8	175.1	0	108.8	A643	A643-K645 PolarHBondContact O-N 2.96Å
646	G	57.2	Low	70.6	Confident	75 Å²	75	58.9 Å²	58.9	77%	0.773	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.5	-4.8	175.1	0	0	0	0	0	116.6	K644 V648	K644-G646 PolarHBondContact O-N 2.88Å; G646-V648 PolarHBondContact O-N 2.67Å
647	M	57.5	Low	71.4	Confident	48 Å²	48	58.8 Å²	58.8	24%	0.236	32%	0.319	C	S	.	.			trans	-100.3	78.4	173.3	-70.7	179	66.1	0	0	110.6	K644 A649 E650	K644-M647 HydrophobicContact CB-SD 4.23Å; K644-M647 HydrophobicContact CD-CG 4.42Å; K644-M647 HydrophobicContact CD-SD 3.49Å; K644-M647 WeakPolarHBondContact CD-SD 3.48Å; K644-M647 HydrophobicContact CG-CG 4.39Å; K644-M647 HydrophobicContact CG-SD 4.03Å; K644-M647 PolarHBondContact O-N 3.21Å; M647-A649 VanDerWaalsContact C-N 3.35Å; M647-E650 HydrophobicContact CE-CB 3.96Å; M647-E650 HydrophobicContact CE-CG 3.55Å; M647-E650 WeakPolarHBondContact CE-OE1 3.4Å; M647-E650 WeakPolarHBondContact CE-OE2 3.31Å
648	V	55.3	Low	72.2	Confident	148 Å²	148	58.8 Å²	58.8	90%	0.897	32%	0.319	S	S	*	.			trans	-83.2	-16.6	174.1	-179.1	0	0	0	0	111.4	G646	G646-V648 PolarHBondContact O-N 2.67Å
649	A	55	Low	73.3	Confident	104 Å²	104	58.5 Å²	58.5	86%	0.86	32%	0.315	S	S	*	.	S	Bend	trans	-100.2	-8.4	-168.9	0	0	0	0	0	116	M647	M647-A649 VanDerWaalsContact C-N 3.35Å
650	E	63.2	Low	74.4	Confident	98 Å²	98	55.2 Å²	55.2	46%	0.458	30%	0.303	S	S	.	.	S	Bend	trans	-95.1	142	177.3	-72	-165.9	-170.1	0	0	111.9	M647 Y652	M647-E650 HydrophobicContact CE-CB 3.96Å; M647-E650 HydrophobicContact CE-CG 3.55Å; M647-E650 WeakPolarHBondContact CE-OE1 3.4Å; M647-E650 WeakPolarHBondContact CE-OE2 3.31Å; E650-Y652 PolarHBondContact O-N 2.89Å
651	E	67.6	Low	75.3	Confident	158 Å²	158	55.1 Å²	55.1	74%	0.738	30%	0.302	S	S	*	.	S	Bend	trans	-59.5	-31.2	178.8	-70.8	-176.1	153.7	0	0	112.8	K501	K501-E651 WeakPolarHBondContact CD-O 3.5Å
652	Y	71.4	Confident	76.3	Confident	72 Å²	72	57 Å²	57	28%	0.282	31%	0.311	S	S	.	.			trans	-134.6	135.9	178.3	-59.4	-78.8	0	0	0	110.4	K501 Q503 E650 S683	K501-Y652 HydrophobicContact CB-CD1 4.27Å; Q503-Y652 HydrophobicContact CB-CD1 3.9Å; Q503-Y652 HydrophobicContact CB-CD2 4.46Å; Q503-Y652 HydrophobicContact CB-CE1 4.43Å; Q503-Y652 HydrophobicContact CB-CG 3.92Å; E650-Y652 PolarHBondContact O-N 2.89Å; Y652-S683 PolarHBondContact OH-OG 2.77Å
653	N	78.4	Confident	77.3	Confident	30 Å²	30	58.6 Å²	58.6	16%	0.16	33%	0.325	C	S	.	.	S	Bend	trans	-120.9	3.5	-176.5	61.3	5.1	0	0	0	113.5	A500 K501	A500-N653 VanDerWaalsContact CA-OD1 3.29Å; A500-N653 WeakPolarHBondContact CA-OD1 3.43Å; A500-N653 WeakPolarHBondContact CB-OD1 3.27Å; K501-N653 PolarHBondContact N-OD1 3.06Å; K501-N653 PolarHBondContact O-N 3.5Å; K501-N653 VanDerWaalsContact O-N 3.17Å; K501-N653 PolarHBondContact O-OD1 3.01Å
654	A	87.1	Confident	78.6	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	147.1	171.3	0	0	0	0	0	110.8	A500 K501 V502 Q503 N618 L641	A500-A654 HydrophobicContact CB-CB 3.7Å; K501-A654 PolarHBondContact O-N 3.49Å; V502-A654 WeakPolarHBondContact CA-O 3.5Å; V502-A654 HydrophobicContact CG2-CB 3.95Å; Q503-A654 PolarHBondContact N-O 3.41Å; N618-A654 CarbonylContact O-C 3.55Å; N618-A654 VanDerWaalsContact O-CA 3.25Å; N618-A654 WeakPolarHBondContact O-CA 3.22Å; L641-A654 HydrophobicContact CB-CB 4.18Å; L641-A654 HydrophobicContact CD1-CB 4.33Å; L641-A654 HydrophobicContact CD2-CB 4.28Å
655	Y	90.3	Very high	79.6	Confident	39 Å²	39	55.8 Å²	55.8	15%	0.153	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132.6	-177	-59.5	-82.9	0	0	0	111.1	Q503 H548 N618 V619 L620 Y657	Q503-Y655 HydrophobicContact CB-CD1 3.94Å; Q503-Y655 HydrophobicContact CB-CE1 4.25Å; Q503-Y655 HydrophobicContact CG-CD1 4.48Å; H548-Y655 AromaticContact CE1-CD2 3.57Å; H548-Y655 AromaticContact CE1-CE2 3.94Å; N618-Y655 PolarHBondContact O-N 3.28Å; V619-Y655 WeakPolarHBondContact CA-O 3.45Å; V619-Y655 HydrophobicContact CG2-CD2 4.25Å; L620-Y655 PolarHBondContact N-O 3.38Å; Y655-Y657 HydrophobicContact CG-CE2 4.39Å
656	F	92.1	Very high	80.9	Confident	5 Å²	5	46.7 Å²	46.7	2%	0.022	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117.1	172.6	173.6	-114.3	0	0	0	109.3	V502 Q503 C504 A505 L620 Q622 L637 L641 L677	V502-F656 HydrophobicContact CG1-CB 3.96Å; Q503-F656 PolarHBondContact O-N 2.91Å; C504-F656 CarbonylContact C-O 3.54Å; C504-F656 WeakPolarHBondContact CA-O 3.36Å; C504-F656 HydrophobicContact CB-CD1 4.1Å; A505-F656 PolarHBondContact N-O 2.96Å; L620-F656 HydrophobicContact CB-CD2 4.08Å; L620-F656 HydrophobicContact CD2-CD2 3.74Å; L620-F656 HydrophobicContact CD2-CE2 3.88Å; L620-F656 HydrophobicContact CG-CD2 3.88Å; L620-F656 HydrophobicContact CG-CE2 4.14Å; L620-F656 CarbonylContact O-C 3.59Å; L620-F656 WeakPolarHBondContact O-CA 3.2Å; Q622-F656 HydrophobicContact CB-CE2 4.27Å; L637-F656 HydrophobicContact CD1-CB 4.06Å; L637-F656 HydrophobicContact CD1-CD1 3.88Å; L637-F656 HydrophobicContact CD1-CD2 4.32Å; L637-F656 HydrophobicContact CD1-CE1 4.41Å; L637-F656 HydrophobicContact CD1-CG 3.82Å; L641-F656 HydrophobicContact CD1-CB 4.24Å; F656-L677 HydrophobicContact CE1-CD1 4.29Å
657	Y	93.4	Very high	82.4	Confident	12 Å²	12	46 Å²	46	5%	0.047	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	127.6	176.5	-63.9	-77.7	0	0	0	110.2	A505 V507 L544 H548 V619 L620 I621 Q622 Y655	A505-Y657 HydrophobicContact CB-CD1 3.75Å; A505-Y657 HydrophobicContact CB-CE1 3.87Å; A505-Y657 VanDerWaalsContact O-CA 3.31Å; A505-Y657 WeakPolarHBondContact O-CA 3.11Å; V507-Y657 HydrophobicContact CG2-CD1 3.9Å; L544-Y657 HydrophobicContact CD1-CD1 3.95Å; L544-Y657 HydrophobicContact CD1-CD2 4.24Å; L544-Y657 HydrophobicContact CD1-CE1 4.49Å; L544-Y657 HydrophobicContact CD1-CG 3.8Å; L544-Y657 HydrophobicContact CD2-CD1 4.18Å; L544-Y657 HydrophobicContact CD2-CE1 3.88Å; L544-Y657 HydrophobicContact CD2-CE2 4.24Å; L544-Y657 HydrophobicContact CD2-CG 4.48Å; H548-Y657 AromaticContact NE2-CE2 3.35Å; H548-Y657 VanDerWaalsContact NE2-CE2 3.35Å; H548-Y657 WeakPolarHBondContact NE2-CE2 3.2Å; H548-Y657 AromaticContact NE2-CZ 3.73Å; H548-Y657 PolarHBondContact NE2-OH 2.83Å; V619-Y657 HydrophobicContact CG1-CD2 3.9Å; V619-Y657 HydrophobicContact CG1-CE2 3.93Å; L620-Y657 PolarHBondContact O-N 2.78Å; I621-Y657 CarbonylContact C-O 3.56Å; I621-Y657 WeakPolarHBondContact CA-O 3.35Å; I621-Y657 HydrophobicContact CG1-CD2 4.15Å; Q622-Y657 PolarHBondContact N-O 2.98Å; Y655-Y657 HydrophobicContact CG-CE2 4.39Å
658	S	92.9	Very high	83.8	Confident	2 Å²	2	46.4 Å²	46.4	1%	0.014	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.2	168.6	-179.1	0	0	0	0	108.9	A505 E506 V507 R673	A505-S658 PolarHBondContact O-N 3.46Å; E506-S658 WeakPolarHBondContact CA-O 3.49Å; V507-S658 PolarHBondContact N-O 2.57Å; S658-R673 PolarHBondContact OG-NH1 3.37Å
659	L	94.1	Very high	85.2	Confident	1 Å²	1	43 Å²	43	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	115.5	-177.7	-53	-177.6	0	0	0	109.9	V507 K537 A540 C541 L544 I621 Q622 I623	V507-L659 HydrophobicContact CB-CD2 3.78Å; V507-L659 HydrophobicContact CG1-CD2 4.32Å; V507-L659 HydrophobicContact CG2-CD2 4.17Å; K537-L659 HydrophobicContact CD-CB 4.06Å; K537-L659 VanDerWaalsContact CE-O 3.27Å; K537-L659 WeakPolarHBondContact CE-O 3.27Å; K537-L659 HydrophobicContact CG-CB 3.77Å; K537-L659 HydrophobicContact CG-CD1 4Å; K537-L659 PolarHBondContact NZ-O 3.11Å; K537-L659 VanDerWaalsContact NZ-O 3.12Å; A540-L659 HydrophobicContact CB-CD2 4.43Å; C541-L659 HydrophobicContact CB-CD1 3.66Å; L544-L659 HydrophobicContact CD1-CD2 3.92Å; I621-L659 HydrophobicContact CG2-CD1 4.02Å; I621-L659 HydrophobicContact CG2-CG 4.14Å; Q622-L659 PolarHBondContact O-N 2.94Å; I623-L659 HydrophobicContact CG1-CD1 4.39Å
660	V	93.7	Very high	86.7	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	127.2	-173	-178.5	0	0	0	0	109.7	E506 V507 W508 C509 E666 M667	E506-V660 HydrophobicContact CG-CG2 4.49Å; V507-V660 PolarHBondContact O-N 3.27Å; W508-V660 WeakPolarHBondContact CA-O 3.42Å; C509-V660 PolarHBondContact N-O 3.27Å; V660-E666 HydrophobicContact CG1-CB 3.91Å; V660-M667 HydrophobicContact CG1-CG 4.2Å
661	S	94.4	Very high	87.9	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	122.1	172.4	-75.2	0	0	0	0	110.5	C509 M511 Y531 N534 K537 T664 E666	C509-S661 WeakPolarHBondContact O-CA 3.36Å; M511-S661 VanDerWaalsContact SD-CB 3.6Å; Y531-S661 PolarHBondContact O-OG 2.94Å; N534-S661 PolarHBondContact ND2-OG 3.4Å; K537-S661 VanDerWaalsContact CE-OG 3.22Å; K537-S661 WeakPolarHBondContact CE-OG 3.31Å; S661-T664 PolarHBondContact O-OG1 2.96Å; S661-E666 WeakPolarHBondContact CB-OE2 3.32Å; S661-E666 PolarHBondContact N-OE2 2.9Å
662	Q	93.4	Very high	88.7	Confident	47 Å²	47	35.5 Å²	35.5	22%	0.22	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	151.9	-179.9	-68	-179.7	-23.7	0	0	112.3	W508 C509 M511 T664	W508-Q662 HydrophobicContact CB-CG 3.93Å; C509-Q662 PolarHBondContact O-N 3.18Å; M511-Q662 VanDerWaalsContact CG-O 3.27Å; M511-Q662 WeakPolarHBondContact CG-O 3.43Å; Q662-T664 WeakPolarHBondContact O-CG2 3.23Å; Q662-T664 PolarHBondContact O-N 3.08Å
663	D	93.5	Very high	89.2	Confident	100 Å²	100	32.5 Å²	32.5	54%	0.535	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.9	22.7	178.7	-54.6	-41	0	0	0	114.9	Y516 M667	Y516-D663 HydrophobicContact CE2-CB 3.69Å; D663-M667 VanDerWaalsContact CA-CE 3.47Å; D663-M667 VanDerWaalsContact N-CE 3.32Å; D663-M667 PolarHBondContact N-SD 3.16Å
664	T	91.6	Very high	89.6	Confident	9 Å²	9	34.2 Å²	34.2	6%	0.055	18%	0.175	C	C	.	.	S	Bend	trans	-118.1	172.6	178	72.9	0	0	0	0	111.8	M511 Y519 Y531 S661 Q662 E666 M667	M511-T664 HydrophobicContact CE-CG2 4.36Å; M511-T664 HydrophobicContact CG-CG2 4Å; M511-T664 HydrophobicContact SD-CG2 4.08Å; Y519-T664 HydrophobicContact CD1-CG2 4.42Å; Y519-T664 HydrophobicContact CE1-CG2 4.09Å; Y519-T664 HydrophobicContact CE2-CG2 4.48Å; Y531-T664 HydrophobicContact CG-CG2 4.47Å; S661-T664 PolarHBondContact O-OG1 2.96Å; Q662-T664 WeakPolarHBondContact O-CG2 3.23Å; Q662-T664 PolarHBondContact O-N 3.08Å; T664-E666 PolarHBondContact O-N 3.05Å; T664-E666 VanDerWaalsContact O-N 3.14Å; T664-E666 PolarHBondContact OG1-N 2.71Å; T664-M667 PolarHBondContact O-N 3.4Å
665	Q	88.7	Confident	89.4	Confident	31 Å²	31	42.6 Å²	42.6	15%	0.145	21%	0.206	C	C	.	.	H	α-helix	trans	-59.9	-20.8	175	66	179.2	15.8	0	0	113.5	Y519 Y531 M667 A668 Y669	Y519-Q665 PolarHBondContact OH-N 3.44Å; Y531-Q665 HydrophobicContact CD1-CG 4.25Å; Y531-Q665 HydrophobicContact CE1-CG 3.54Å; Y531-Q665 PolarHBondContact OH-NE2 3.26Å; Q665-M667 PolarHBondContact O-N 2.87Å; Q665-A668 PolarHBondContact O-N 3.41Å; Q665-Y669 HydrophobicContact CG-CE2 4.45Å; Q665-Y669 WeakPolarHBondContact O-CD2 3.49Å
666	E	88.1	Confident	89	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-60.5	-31.3	176.5	-66.6	-172	144.4	0	0	112.7	Y531 K537 V660 S661 T664 A668 Y669 S670	Y531-E666 HydrophobicContact CD2-CG 3.45Å; Y531-E666 VanDerWaalsContact CD2-CG 3.45Å; Y531-E666 WeakPolarHBondContact CD2-OE1 3.41Å; Y531-E666 HydrophobicContact CE2-CG 3.44Å; Y531-E666 VanDerWaalsContact CE2-CG 3.44Å; Y531-E666 WeakPolarHBondContact CE2-OE1 3.39Å; Y531-E666 HydrophobicContact CG-CG 4.17Å; K537-E666 IonicContact NZ-OE1 2.62Å; K537-E666 PolarHBondContact NZ-OE1 3.07Å; K537-E666 IonicContact NZ-OE2 3.07Å; K537-E666 PolarHBondContact NZ-OE2 3.35Å; V660-E666 HydrophobicContact CG1-CB 3.91Å; S661-E666 WeakPolarHBondContact CB-OE2 3.32Å; S661-E666 PolarHBondContact N-OE2 2.9Å; T664-E666 PolarHBondContact O-N 3.05Å; T664-E666 VanDerWaalsContact O-N 3.14Å; T664-E666 PolarHBondContact OG1-N 2.71Å; E666-A668 VanDerWaalsContact C-N 3.32Å; E666-A668 PolarHBondContact O-N 2.82Å; E666-Y669 PolarHBondContact O-N 3.12Å; E666-S670 WeakPolarHBondContact O-CB 3.31Å; E666-S670 PolarHBondContact O-N 3.02Å
667	M	88.9	Confident	88.5	Confident	61 Å²	61	41.9 Å²	41.9	30%	0.3	20%	0.204	S	C	.	.	H	α-helix	trans	-62.9	-38.8	179.1	-64.1	-162.9	-54.6	0	0	112	V660 D663 T664 Q665 Y669 S670 T671	V660-M667 HydrophobicContact CG1-CG 4.2Å; D663-M667 VanDerWaalsContact CA-CE 3.47Å; D663-M667 VanDerWaalsContact N-CE 3.32Å; D663-M667 PolarHBondContact N-SD 3.16Å; T664-M667 PolarHBondContact O-N 3.4Å; Q665-M667 PolarHBondContact O-N 2.87Å; M667-Y669 VanDerWaalsContact C-N 3.3Å; M667-Y669 PolarHBondContact O-N 3.19Å; M667-S670 PolarHBondContact O-N 2.7Å; M667-T671 PolarHBondContact O-N 2.98Å; M667-T671 PolarHBondContact O-OG1 2.93Å; M667-T671 VanDerWaalsContact O-OG1 3.12Å
668	A	87.7	Confident	88	Confident	57 Å²	57	44.7 Å²	44.7	47%	0.471	22%	0.222	S	C	.	.	H	α-helix	trans	-65.4	-35.3	177.6	0	0	0	0	0	112.2	Q665 E666 K672	Q665-A668 PolarHBondContact O-N 3.41Å; E666-A668 VanDerWaalsContact C-N 3.32Å; E666-A668 PolarHBondContact O-N 2.82Å; A668-K672 WeakPolarHBondContact O-CG 3.27Å
669	Y	84.6	Confident	87.3	Confident	75 Å²	75	47.1 Å²	47.1	29%	0.294	24%	0.235	S	C	.	.	H	α-helix	trans	-72.2	-39.2	173.6	-64.4	-70.5	0	0	0	111.6	Q665 E666 M667 K672 R673	Q665-Y669 HydrophobicContact CG-CE2 4.45Å; Q665-Y669 WeakPolarHBondContact O-CD2 3.49Å; E666-Y669 PolarHBondContact O-N 3.12Å; M667-Y669 VanDerWaalsContact C-N 3.3Å; M667-Y669 PolarHBondContact O-N 3.19Å; Y669-K672 PolarHBondContact O-N 3.42Å; Y669-R673 PolarHBondContact O-N 2.82Å
670	S	85.9	Confident	86.3	Confident	3 Å²	3	49.4 Å²	49.4	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-60.8	-45.7	175.9	136.1	0	0	0	0	112	E506 E666 M667 K672 R673 Q674	E506-S670 VanDerWaalsContact CD-OG 3.25Å; E506-S670 WeakPolarHBondContact OE1-CB 3.48Å; E506-S670 PolarHBondContact OE1-OG 3.14Å; E506-S670 WeakPolarHBondContact OE2-CB 3.43Å; E506-S670 PolarHBondContact OE2-OG 3.03Å; E666-S670 WeakPolarHBondContact O-CB 3.31Å; E666-S670 PolarHBondContact O-N 3.02Å; M667-S670 PolarHBondContact O-N 2.7Å; S670-K672 VanDerWaalsContact C-N 3.29Å; S670-K672 PolarHBondContact O-N 2.7Å; S670-R673 WeakPolarHBondContact O-CB 3.46Å; S670-R673 PolarHBondContact O-N 2.58Å; S670-R673 VanDerWaalsContact O-N 3.11Å; S670-Q674 WeakPolarHBondContact O-CB 3.28Å; S670-Q674 PolarHBondContact O-N 2.82Å
671	T	87.5	Confident	85.5	Confident	90 Å²	90	50.3 Å²	50.3	55%	0.552	26%	0.255	S	S	*	.	H	α-helix	trans	-58	-42	175.6	-51.8	0	0	0	0	112.2	M667 R675	M667-T671 PolarHBondContact O-N 2.98Å; M667-T671 PolarHBondContact O-OG1 2.93Å; M667-T671 VanDerWaalsContact O-OG1 3.12Å; T671-R675 PolarHBondContact O-N 3.48Å; T671-R675 VanDerWaalsContact O-N 3.12Å
672	K	84	Confident	84.8	Confident	111 Å²	111	51.2 Å²	51.2	48%	0.483	26%	0.258	S	S	.	.	H	α-helix	trans	-67.1	-38.3	177.7	-72	176.5	179.4	179.7	0	112.2	A668 Y669 S670 F676	A668-K672 WeakPolarHBondContact O-CG 3.27Å; Y669-K672 PolarHBondContact O-N 3.42Å; S670-K672 VanDerWaalsContact C-N 3.29Å; S670-K672 PolarHBondContact O-N 2.7Å; K672-F676 PolarHBondContact O-N 2.76Å
673	R	83.9	Confident	84.4	Confident	8 Å²	8	50.7 Å²	50.7	3%	0.03	26%	0.26	C	S	.	.	H	α-helix	trans	-67.1	-47.7	175.1	178.4	-167.7	-59.7	109.6	13.3	111.5	E506 S625 E633 S658 Y669 S670 R675 F676 L677	E506-R673 IonicContact OE1-NH1 3.63Å; E506-R673 PolarHBondContact OE1-NH1 2.69Å; S625-R673 PolarHBondContact OG-NH2 3.09Å; E633-R673 IonicContact OE1-CZ 3.05Å; E633-R673 IonicContact OE1-NE 2.7Å; E633-R673 PolarHBondContact OE1-NE 3Å; E633-R673 IonicContact OE1-NH2 3.78Å; E633-R673 PolarHBondContact OE1-NH2 3.11Å; E633-R673 IonicContact OE2-CZ 2.77Å; E633-R673 IonicContact OE2-NE 3.1Å; E633-R673 PolarHBondContact OE2-NE 3.44Å; E633-R673 IonicContact OE2-NH2 2.78Å; E633-R673 PolarHBondContact OE2-NH2 2.96Å; S658-R673 PolarHBondContact OG-NH1 3.37Å; Y669-R673 PolarHBondContact O-N 2.82Å; S670-R673 WeakPolarHBondContact O-CB 3.46Å; S670-R673 PolarHBondContact O-N 2.58Å; S670-R673 VanDerWaalsContact O-N 3.11Å; R673-R675 VanDerWaalsContact C-N 3.28Å; R673-R675 PolarHBondContact O-N 3.07Å; R673-F676 PolarHBondContact O-N 3.4Å; R673-F676 VanDerWaalsContact O-N 3.1Å; R673-L677 HydrophobicContact CG-CD1 3.85Å; R673-L677 HydrophobicContact CG-CG 4.2Å; R673-L677 PolarHBondContact O-N 3.33Å
674	Q	85.6	Confident	84.1	Confident	67 Å²	67	47.8 Å²	47.8	31%	0.313	24%	0.243	S	C	.	.	H	α-helix	trans	-53.7	-49.6	178.4	177.2	178.9	8.4	0	0	110	S670 F676 L677 V678 F684	S670-Q674 WeakPolarHBondContact O-CB 3.28Å; S670-Q674 PolarHBondContact O-N 2.82Å; Q674-F676 PolarHBondContact O-N 3.33Å; Q674-L677 PolarHBondContact O-N 3.46Å; Q674-V678 HydrophobicContact CG-CG2 4.36Å; Q674-V678 WeakPolarHBondContact O-CB 3.49Å; Q674-V678 WeakPolarHBondContact O-CG2 3.41Å; Q674-V678 PolarHBondContact O-N 3.38Å; Q674-F684 HydrophobicContact CB-CE1 4.04Å; Q674-F684 HydrophobicContact CB-CE2 4.34Å; Q674-F684 HydrophobicContact CB-CZ 3.79Å; Q674-F684 HydrophobicContact CG-CD1 3.85Å; Q674-F684 HydrophobicContact CG-CE1 3.51Å; Q674-F684 HydrophobicContact CG-CE2 4.42Å; Q674-F684 HydrophobicContact CG-CG 4.41Å; Q674-F684 HydrophobicContact CG-CZ 3.79Å
675	R	84.1	Confident	84.1	Confident	176 Å²	176	51.3 Å²	51.3	66%	0.664	26%	0.257	S	S	*	.	H	α-helix	trans	-54.3	-51.8	175.7	-172.9	173.8	178.3	173.6	0.9	111.4	T671 R673 L677 V678 D679	T671-R675 PolarHBondContact O-N 3.48Å; T671-R675 VanDerWaalsContact O-N 3.12Å; R673-R675 VanDerWaalsContact C-N 3.28Å; R673-R675 PolarHBondContact O-N 3.07Å; R675-L677 PolarHBondContact O-N 3.44Å; R675-V678 PolarHBondContact O-N 3.21Å; R675-D679 WeakPolarHBondContact O-CB 3.16Å; R675-D679 PolarHBondContact O-N 3.2Å
676	F	81.3	Confident	84.3	Confident	23 Å²	23	52.7 Å²	52.7	10%	0.101	27%	0.267	C	S	.	.	H	α-helix	trans	-60.9	-44.1	-180	178.7	-108	0	0	0	113.8	R630 A634 K672 R673 Q674 V678 D679 Q680	R630-F676 HydrophobicContact CB-CB 4.36Å; R630-F676 HydrophobicContact CB-CD1 3.81Å; R630-F676 HydrophobicContact CB-CE1 4.19Å; R630-F676 HydrophobicContact CB-CG 3.98Å; R630-F676 VanDerWaalsContact O-CE1 3.29Å; R630-F676 WeakPolarHBondContact O-CE1 3.43Å; A634-F676 HydrophobicContact CB-CE1 3.64Å; A634-F676 HydrophobicContact CB-CZ 4.32Å; K672-F676 PolarHBondContact O-N 2.76Å; R673-F676 PolarHBondContact O-N 3.4Å; R673-F676 VanDerWaalsContact O-N 3.1Å; Q674-F676 PolarHBondContact O-N 3.33Å; F676-V678 VanDerWaalsContact C-N 3.34Å; F676-V678 PolarHBondContact O-N 2.76Å; F676-D679 PolarHBondContact O-N 2.88Å; F676-Q680 HydrophobicContact CE1-CG 4.4Å; F676-Q680 HydrophobicContact CE2-CG 4.2Å; F676-Q680 HydrophobicContact CZ-CG 4.12Å; F676-Q680 VanDerWaalsContact O-CG 3.3Å; F676-Q680 WeakPolarHBondContact O-CG 3.41Å; F676-Q680 PolarHBondContact O-N 2.87Å; F676-Q680 VanDerWaalsContact O-N 3.11Å
677	L	82	Confident	84.6	Confident	6 Å²	6	54.2 Å²	54.2	3%	0.031	28%	0.276	C	S	.	.	H	α-helix	trans	-66.6	-36.7	178.7	-71.7	176.1	0	0	0	112	C504 L637 F656 R673 Q674 R675 Q680 G681 Y682 F684	C504-L677 HydrophobicContact CB-CD1 4.4Å; L637-L677 HydrophobicContact CD1-CD2 4.5Å; F656-L677 HydrophobicContact CE1-CD1 4.29Å; R673-L677 HydrophobicContact CG-CD1 3.85Å; R673-L677 HydrophobicContact CG-CG 4.2Å; R673-L677 PolarHBondContact O-N 3.33Å; Q674-L677 PolarHBondContact O-N 3.46Å; R675-L677 PolarHBondContact O-N 3.44Å; L677-Q680 PolarHBondContact O-N 2.85Å; L677-G681 PolarHBondContact O-N 3.37Å; L677-Y682 HydrophobicContact CB-CD2 4.49Å; L677-Y682 HydrophobicContact CD2-CD2 3.85Å; L677-Y682 HydrophobicContact CD2-CE2 4.26Å; L677-Y682 HydrophobicContact CD2-CG 4.35Å; L677-Y682 WeakPolarHBondContact O-CB 3.23Å; L677-Y682 PolarHBondContact O-N 2.95Å; L677-F684 HydrophobicContact CB-CD2 4.44Å; L677-F684 HydrophobicContact CD1-CD2 4.05Å; L677-F684 HydrophobicContact CD1-CE2 3.99Å
678	V	82.9	Confident	84.7	Confident	71 Å²	71	55.3 Å²	55.3	43%	0.43	29%	0.285	S	S	.	.	H	α-helix	trans	-68.4	-42.2	175.5	172.2	0	0	0	0	110.9	Q674 R675 F676 Q680 G681 F684	Q674-V678 HydrophobicContact CG-CG2 4.36Å; Q674-V678 WeakPolarHBondContact O-CB 3.49Å; Q674-V678 WeakPolarHBondContact O-CG2 3.41Å; Q674-V678 PolarHBondContact O-N 3.38Å; R675-V678 PolarHBondContact O-N 3.21Å; F676-V678 VanDerWaalsContact C-N 3.34Å; F676-V678 PolarHBondContact O-N 2.76Å; V678-Q680 PolarHBondContact O-N 2.84Å; V678-G681 WeakPolarHBondContact O-CA 3.32Å; V678-G681 PolarHBondContact O-N 2.81Å; V678-F684 HydrophobicContact CG2-CB 4.27Å
679	D	77.6	Confident	84.7	Confident	53 Å²	53	61.3 Å²	61.3	28%	0.283	30%	0.301	S	S	.	.	H	α-helix	trans	-59.7	-36.6	176.5	-62.9	-18.9	0	0	0	111.3	R104 R675 F676 G681	R104-D679 PolarHBondContact N-O 3.21Å; R675-D679 WeakPolarHBondContact O-CB 3.16Å; R675-D679 PolarHBondContact O-N 3.2Å; F676-D679 PolarHBondContact O-N 2.88Å; D679-G681 VanDerWaalsContact C-N 3.28Å; D679-G681 PolarHBondContact O-N 3.03Å
680	Q	73.9	Confident	84.9	Confident	49 Å²	49	59 Å²	59	23%	0.229	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.8	174.3	-63.9	-58.6	-57.1	0	0	114	F676 L677 V678 Y682	F676-Q680 HydrophobicContact CE1-CG 4.4Å; F676-Q680 HydrophobicContact CE2-CG 4.2Å; F676-Q680 HydrophobicContact CZ-CG 4.12Å; F676-Q680 VanDerWaalsContact O-CG 3.3Å; F676-Q680 WeakPolarHBondContact O-CG 3.41Å; F676-Q680 PolarHBondContact O-N 2.87Å; F676-Q680 VanDerWaalsContact O-N 3.11Å; L677-Q680 PolarHBondContact O-N 2.85Å; V678-Q680 PolarHBondContact O-N 2.84Å; Q680-Y682 HydrophobicContact CB-CD2 3.88Å; Q680-Y682 HydrophobicContact CB-CE2 3.93Å
681	G	76.2	Confident	84.9	Confident	18 Å²	18	63.3 Å²	63.3	19%	0.186	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	15.6	175.4	0	0	0	0	0	116.3	M491 L677 V678 D679	M491-G681 WeakPolarHBondContact CE-O 3.43Å; L677-G681 PolarHBondContact O-N 3.37Å; V678-G681 WeakPolarHBondContact O-CA 3.32Å; V678-G681 PolarHBondContact O-N 2.81Å; D679-G681 VanDerWaalsContact C-N 3.28Å; D679-G681 PolarHBondContact O-N 3.03Å
682	Y	80.4	Confident	84.6	Confident	19 Å²	19	60.3 Å²	60.3	8%	0.075	32%	0.316	C	S	.	.			trans	-72.5	141.6	177	-73.8	-85.3	0	0	0	112	W490 V502 L637 L677 Q680 F684	W490-Y682 WeakPolarHBondContact CZ3-OH 3.27Å; V502-Y682 HydrophobicContact CB-CD1 4.29Å; V502-Y682 HydrophobicContact CB-CE1 4.34Å; L637-Y682 HydrophobicContact CD1-CE1 4.48Å; L637-Y682 HydrophobicContact CD2-CD1 4.5Å; L637-Y682 HydrophobicContact CD2-CE1 3.6Å; L677-Y682 HydrophobicContact CB-CD2 4.49Å; L677-Y682 HydrophobicContact CD2-CD2 3.85Å; L677-Y682 HydrophobicContact CD2-CE2 4.26Å; L677-Y682 HydrophobicContact CD2-CG 4.35Å; L677-Y682 WeakPolarHBondContact O-CB 3.23Å; L677-Y682 PolarHBondContact O-N 2.95Å; Q680-Y682 HydrophobicContact CB-CD2 3.88Å; Q680-Y682 HydrophobicContact CB-CE2 3.93Å; Y682-F684 PolarHBondContact O-N 3.23Å
683	S	83.3	Confident	84.7	Confident	37 Å²	37	57.5 Å²	57.5	26%	0.259	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	119.6	168.9	178.4	0	0	0	0	109.4	Q503 C504 Y652	Q503-S683 PolarHBondContact NE2-O 2.93Å; Q503-S683 PolarHBondContact NE2-OG 3.12Å; Q503-S683 VanDerWaalsContact NE2-OG 3.14Å; Q503-S683 PolarHBondContact OE1-OG 3.47Å; C504-S683 WeakPolarHBondContact CA-O 3.36Å; C504-S683 VanDerWaalsContact CB-O 3.28Å; C504-S683 WeakPolarHBondContact CB-O 3.21Å; C504-S683 PolarHBondContact N-O 3.31Å; Y652-S683 PolarHBondContact OH-OG 2.77Å
684	F	87.5	Confident	84.6	Confident	38 Å²	38	65.9 Å²	65.9	17%	0.167	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	131.7	-173.7	-167.8	-86.5	0	0	0	111.4	C504 E506 Q674 L677 V678 Y682 V686	C504-F684 HydrophobicContact CB-CD2 3.74Å; C504-F684 HydrophobicContact CB-CE2 4.46Å; C504-F684 CarbonylContact O-C 3.58Å; C504-F684 WeakPolarHBondContact O-CA 3.32Å; E506-F684 HydrophobicContact CB-CE1 4.42Å; E506-F684 HydrophobicContact CB-CZ 3.92Å; E506-F684 HydrophobicContact CG-CE1 4.41Å; E506-F684 HydrophobicContact CG-CE2 3.97Å; E506-F684 HydrophobicContact CG-CZ 3.46Å; E506-F684 VanDerWaalsContact CG-CZ 3.46Å; Q674-F684 HydrophobicContact CB-CE1 4.04Å; Q674-F684 HydrophobicContact CB-CE2 4.34Å; Q674-F684 HydrophobicContact CB-CZ 3.79Å; Q674-F684 HydrophobicContact CG-CD1 3.85Å; Q674-F684 HydrophobicContact CG-CE1 3.51Å; Q674-F684 HydrophobicContact CG-CE2 4.42Å; Q674-F684 HydrophobicContact CG-CG 4.41Å; Q674-F684 HydrophobicContact CG-CZ 3.79Å; L677-F684 HydrophobicContact CB-CD2 4.44Å; L677-F684 HydrophobicContact CD1-CD2 4.05Å; L677-F684 HydrophobicContact CD1-CE2 3.99Å; V678-F684 HydrophobicContact CG2-CB 4.27Å; Y682-F684 PolarHBondContact O-N 3.23Å; F684-V686 HydrophobicContact CE1-CG2 3.83Å
685	K	91.8	Very high	84.5	Confident	84 Å²	84	71.1 Å²	71.1	37%	0.365	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	148.7	175.1	65.6	-179	172.2	178.9	0	111.6	Q503 C504 A505 E506 I687	Q503-K685 HydrophobicContact CG-CD 4.26Å; C504-K685 PolarHBondContact O-N 2.76Å; A505-K685 CarbonylContact C-O 3.56Å; A505-K685 VanDerWaalsContact CA-O 3.25Å; A505-K685 WeakPolarHBondContact CA-O 3.38Å; A505-K685 HydrophobicContact CB-CD 4.28Å; A505-K685 HydrophobicContact CB-CG 3.69Å; E506-K685 PolarHBondContact N-O 3.42Å; K685-I687 HydrophobicContact CD-CD1 4.26Å; K685-I687 HydrophobicContact CD-CG1 4.35Å; K685-I687 HydrophobicContact CG-CG1 4.34Å
686	V	92.8	Very high	84.5	Confident	59 Å²	59	64 Å²	64	36%	0.358	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	127.6	171.1	-179.1	0	0	0	0	108.5	E506 W508 F684	E506-V686 CarbonylContact O-C 3.55Å; E506-V686 WeakPolarHBondContact O-CA 3.43Å; W508-V686 HydrophobicContact CD2-CG1 3.66Å; W508-V686 VanDerWaalsContact CE2-CG1 3.47Å; W508-V686 HydrophobicContact CE3-CG1 4.1Å; W508-V686 HydrophobicContact CG-CG1 4.09Å; W508-V686 HydrophobicContact CH2-CG1 4.22Å; W508-V686 HydrophobicContact CZ2-CG1 3.78Å; W508-V686 HydrophobicContact CZ3-CG1 4.36Å; F684-V686 HydrophobicContact CE1-CG2 3.83Å
687	I	93.9	Very high	84.8	Confident	34 Å²	34	69.3 Å²	69.3	17%	0.174	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	119.2	178.9	-58	176.5	0	0	0	107.9	A505 E506 V507 W508 K685 K689 L690	A505-I687 HydrophobicContact CB-CD1 4.05Å; E506-I687 PolarHBondContact O-N 3.33Å; V507-I687 CarbonylContact C-O 3.57Å; V507-I687 WeakPolarHBondContact CA-O 3.41Å; V507-I687 HydrophobicContact CG2-CB 4.36Å; V507-I687 HydrophobicContact CG2-CD1 4.48Å; W508-I687 PolarHBondContact N-O 2.89Å; K685-I687 HydrophobicContact CD-CD1 4.26Å; K685-I687 HydrophobicContact CD-CG1 4.35Å; K685-I687 HydrophobicContact CG-CG1 4.34Å; I687-K689 WeakPolarHBondContact CG2-O 3.36Å; I687-L690 HydrophobicContact CG2-CD2 4.04Å; I687-L690 HydrophobicContact CG2-CG 4.49Å
688	T	90.8	Very high	85.2	Confident	83 Å²	83	69.3 Å²	69.3	51%	0.509	37%	0.373	S	S	.	.	S	Bend	trans	-97	-27.6	177.6	54.5	0	0	0	0	112.9	W508	W508-T688 HydrophobicContact CE3-CG2 4.04Å
689	K	88.4	Confident	85.4	Confident	184 Å²	184	69.2 Å²	69.2	80%	0.8	37%	0.369	S	S	*	.	S	Bend	trans	-136.5	131.2	176.7	-66.5	-173.1	178.7	-174.7	0	109.9	I687	I687-K689 WeakPolarHBondContact CG2-O 3.36Å
690	L	89.2	Confident	85.9	Confident	26 Å²	26	66.7 Å²	66.7	14%	0.136	36%	0.355	C	S	.	.			trans	-86.4	118.2	174	-67.9	165.1	0	0	0	108.6	V507 A540 F543 L544 I687 G692 M693	V507-L690 HydrophobicContact CG1-CD1 4.09Å; V507-L690 HydrophobicContact CG1-CD2 4.35Å; V507-L690 HydrophobicContact CG1-CG 4.18Å; A540-L690 HydrophobicContact CB-CD1 3.79Å; F543-L690 HydrophobicContact CD1-CB 4.01Å; F543-L690 HydrophobicContact CD1-CD1 3.81Å; F543-L690 HydrophobicContact CD1-CD2 4.35Å; F543-L690 HydrophobicContact CD1-CG 4.28Å; F543-L690 HydrophobicContact CE1-CB 3.92Å; F543-L690 HydrophobicContact CE1-CD1 4.46Å; F543-L690 HydrophobicContact CE1-CD2 4.31Å; F543-L690 HydrophobicContact CE1-CG 4.46Å; F543-L690 HydrophobicContact CG-CD1 4.47Å; L544-L690 HydrophobicContact CD2-CD2 4.08Å; I687-L690 HydrophobicContact CG2-CD2 4.04Å; I687-L690 HydrophobicContact CG2-CG 4.49Å; L690-G692 PolarHBondContact O-N 3.42Å; L690-M693 HydrophobicContact CB-CB 4.19Å; L690-M693 HydrophobicContact CD1-SD 4.37Å; L690-M693 WeakPolarHBondContact O-CB 3.2Å; L690-M693 PolarHBondContact O-N 3.08Å
691	A	85.4	Confident	86.6	Confident	93 Å²	93	68.8 Å²	68.8	77%	0.769	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	130.9	177.5	0	0	0	0	0	110.4	F543	F543-A691 WeakPolarHBondContact CZ-O 3.22Å
692	G	82.4	Confident	87.3	Confident	27 Å²	27	69.9 Å²	69.9	28%	0.278	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	5.6	-178.9	0	0	0	0	0	115.2	L690 E694 E695	L690-G692 PolarHBondContact O-N 3.42Å; G692-E694 VanDerWaalsContact C-N 3.28Å; G692-E694 PolarHBondContact O-N 3.31Å; G692-E695 PolarHBondContact O-N 2.79Å
693	M	84.4	Confident	87.8	Confident	52 Å²	52	78.5 Å²	78.5	26%	0.256	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-30	178.4	-167.5	179.7	70.1	0	0	113	F543 L690 L698	F543-M693 HydrophobicContact CB-CG 4.5Å; F543-M693 HydrophobicContact CD2-CB 4.29Å; F543-M693 HydrophobicContact CD2-CG 4.39Å; F543-M693 HydrophobicContact CG-CG 4.46Å; L690-M693 HydrophobicContact CB-CB 4.19Å; L690-M693 HydrophobicContact CD1-SD 4.37Å; L690-M693 WeakPolarHBondContact O-CB 3.2Å; L690-M693 PolarHBondContact O-N 3.08Å; M693-L698 HydrophobicContact CB-CD1 4.49Å; M693-L698 HydrophobicContact CG-CD1 3.35Å; M693-L698 WeakPolarHBondContact O-CD1 3.39Å; M693-L698 HydrophobicContact SD-CD1 4.41Å
694	E	82.1	Confident	88.2	Confident	184 Å²	184	83.6 Å²	83.6	86%	0.86	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-21.3	179.3	-65	175.5	-175.1	0	0	112.9	G692 E696	G692-E694 VanDerWaalsContact C-N 3.28Å; G692-E694 PolarHBondContact O-N 3.31Å; E694-E696 VanDerWaalsContact C-N 3.35Å
695	E	84.8	Confident	88.4	Confident	178 Å²	178	84.9 Å²	84.9	83%	0.832	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-16.4	-179.2	-62	175.2	-175.2	0	0	112.3	G692	G692-E695 PolarHBondContact O-N 2.79Å
696	E	84.4	Confident	88.4	Confident	27 Å²	27	82.2 Å²	82.2	13%	0.126	43%	0.428	C	S	.	.	S	Bend	trans	-95.4	145.7	-180	-70.1	-146.4	-159.5	0	0	113.5	F543 R546 R550 E694 L698	F543-E696 HydrophobicContact CD2-CG 4.36Å; F543-E696 HydrophobicContact CE2-CG 4.37Å; R546-E696 WeakPolarHBondContact CD-OE2 3.32Å; R546-E696 IonicContact NH1-OE2 3.91Å; R546-E696 PolarHBondContact NH1-OE2 3.34Å; R550-E696 IonicContact CZ-OE1 3.57Å; R550-E696 IonicContact NH1-OE1 3.51Å; R550-E696 PolarHBondContact NH1-OE1 3.2Å; R550-E696 IonicContact NH2-OE1 3.28Å; R550-E696 PolarHBondContact NH2-OE1 3.29Å; R550-E696 IonicContact NH2-OE2 2.78Å; R550-E696 PolarHBondContact NH2-OE2 3.14Å; R550-E696 VanDerWaalsContact NH2-OE2 3.1Å; E694-E696 VanDerWaalsContact C-N 3.35Å; E696-L698 HydrophobicContact CB-CD2 4.2Å; E696-L698 HydrophobicContact CB-CG 4.14Å; E696-L698 PolarHBondContact O-N 2.7Å
697	D	86.6	Confident	88.4	Confident	134 Å²	134	85 Å²	85	72%	0.717	44%	0.437	S	S	*	.			trans	-73.5	89.9	172.2	-177.6	26	0	0	0	111.1	R546	R546-D697 PolarHBondContact NH1-O 3.06Å; R546-D697 PolarHBondContact NH2-O 3.26Å; R546-D697 VanDerWaalsContact NH2-O 3.15Å
698	L	89.4	Confident	88.4	Confident	5 Å²	5	89 Å²	89	3%	0.026	46%	0.455	C	S	.	.			trans	-102.1	142.5	-178.1	-60.8	177	0	0	0	111.8	R539 Q542 F543 M693 E696	R539-L698 HydrophobicContact CB-CD1 4.28Å; R539-L698 HydrophobicContact CG-CB 4.42Å; R539-L698 PolarHBondContact NH1-O 3.03Å; Q542-L698 HydrophobicContact CB-CD2 4.24Å; Q542-L698 HydrophobicContact CG-CD2 3.95Å; F543-L698 HydrophobicContact CB-CD2 4.28Å; M693-L698 HydrophobicContact CB-CD1 4.49Å; M693-L698 HydrophobicContact CG-CD1 3.35Å; M693-L698 WeakPolarHBondContact O-CD1 3.39Å; M693-L698 HydrophobicContact SD-CD1 4.41Å; E696-L698 HydrophobicContact CB-CD2 4.2Å; E696-L698 HydrophobicContact CB-CG 4.14Å; E696-L698 PolarHBondContact O-N 2.7Å
699	M	88	Confident	88.5	Confident	70 Å²	70	85.2 Å²	85.2	35%	0.345	43%	0.431	S	S	.	.	S	Bend	trans	-64.3	162.7	176.2	-60.2	-71.4	-78.6	0	0	111.3	F538 R539 S701	F538-M699 HydrophobicContact CD1-CB 4.4Å; F538-M699 HydrophobicContact CE1-CB 3.85Å; F538-M699 HydrophobicContact CE1-CG 4.2Å; R539-M699 VanDerWaalsContact CG-O 3.27Å; R539-M699 WeakPolarHBondContact CG-O 3.26Å; R539-M699 PolarHBondContact NH1-O 3.36Å; M699-S701 VanDerWaalsContact C-N 3.26Å; M699-S701 PolarHBondContact O-N 3.45Å
700	F	88.9	Confident	88.8	Confident	0 Å²	0	77.1 Å²	77.1	0%	0	40%	0.397	C	S	.	.			trans	60.2	32.7	-178.2	-56.5	-74.3	0	0	0	114.1	P535 F538 R571 S702 E705 Q706 L709	P535-F700 HydrophobicContact CB-CB 4.06Å; P535-F700 HydrophobicContact CB-CG 4.24Å; F538-F700 HydrophobicContact CB-CD2 4.21Å; F538-F700 HydrophobicContact CB-CE2 4.09Å; F538-F700 AromaticContact CD1-CD2 3.55Å; F538-F700 HydrophobicContact CD1-CD2 3.55Å; F538-F700 AromaticContact CD1-CE2 3.5Å; F538-F700 HydrophobicContact CD1-CE2 3.5Å; F538-F700 VanDerWaalsContact CD1-CE2 3.5Å; F538-F700 AromaticContact CD2-CE2 3.86Å; F538-F700 HydrophobicContact CD2-CE2 3.86Å; F538-F700 HydrophobicContact CE1-CD2 4.06Å; F538-F700 AromaticContact CE1-CE2 3.81Å; F538-F700 HydrophobicContact CE1-CE2 3.81Å; F538-F700 HydrophobicContact CE2-CE2 4.1Å; F538-F700 AromaticContact CG-CD2 3.9Å; F538-F700 HydrophobicContact CG-CD2 3.9Å; F538-F700 AromaticContact CG-CE2 3.54Å; F538-F700 HydrophobicContact CG-CE2 3.54Å; F538-F700 HydrophobicContact CZ-CE2 4.1Å; R571-F700 VanDerWaalsContact NH1-CZ 3.31Å; F700-S702 VanDerWaalsContact C-N 3.32Å; F700-E705 VanDerWaalsContact CA-OE2 3.31Å; F700-E705 WeakPolarHBondContact CA-OE2 3.41Å; F700-E705 HydrophobicContact CD1-CB 3.89Å; F700-E705 HydrophobicContact CE1-CB 4.45Å; F700-E705 PolarHBondContact N-OE2 3.35Å; F700-Q706 HydrophobicContact CB-CG 4.04Å; F700-Q706 HydrophobicContact CD1-CG 4.31Å; F700-Q706 PolarHBondContact O-NE2 3.17Å; F700-L709 HydrophobicContact CE1-CB 3.88Å; F700-L709 HydrophobicContact CE1-CD2 3.84Å; F700-L709 HydrophobicContact CE1-CG 4.32Å; F700-L709 HydrophobicContact CZ-CB 4.43Å; F700-L709 HydrophobicContact CZ-CD1 4.35Å; F700-L709 HydrophobicContact CZ-CD2 3.73Å; F700-L709 HydrophobicContact CZ-CG 4.4Å
701	S	88.3	Confident	89	Confident	92 Å²	92	81.6 Å²	81.6	64%	0.643	42%	0.417	S	S	*	.			trans	-72.9	-28.2	170.4	55.3	0	0	0	0	111.8	M699	M699-S701 VanDerWaalsContact C-N 3.26Å; M699-S701 PolarHBondContact O-N 3.45Å
702	S	91.5	Very high	89.3	Confident	41 Å²	41	81.6 Å²	81.6	29%	0.287	40%	0.399	S	S	.	.	S	Bend	trans	-92.1	147	178.6	74.4	0	0	0	0	112.5	F700 E704 E705 Q706	F700-S702 VanDerWaalsContact C-N 3.32Å; S702-E704 VanDerWaalsContact C-N 3.29Å; S702-E704 PolarHBondContact O-N 3.28Å; S702-E705 WeakPolarHBondContact OG-CB 3.35Å; S702-E705 VanDerWaalsContact OG-CG 3.28Å; S702-E705 WeakPolarHBondContact OG-CG 3.46Å; S702-E705 PolarHBondContact OG-N 2.81Å; S702-Q706 WeakPolarHBondContact O-CG 3.32Å; S702-Q706 PolarHBondContact O-N 3.44Å
703	R	90	Very high	89.7	Confident	200 Å²	200	80.3 Å²	80.3	76%	0.755	39%	0.386	S	S	*	.	H	α-helix	trans	-66.1	-31.8	174.6	-72.2	-172.7	176.8	-179.5	-1.4	112.5	Q706 Q707	R703-Q706 PolarHBondContact O-N 3.19Å; R703-Q707 WeakPolarHBondContact O-CB 3.27Å; R703-Q707 PolarHBondContact O-N 3.42Å
704	E	92.7	Very high	90	Very high	144 Å²	144	80.9 Å²	80.9	67%	0.673	39%	0.39	S	S	*	.	H	α-helix	trans	-64	-44.3	179.7	-66	179.5	-176.3	0	0	111.8	S702 Q706 Q707 Q708	S702-E704 VanDerWaalsContact C-N 3.29Å; S702-E704 PolarHBondContact O-N 3.28Å; E704-Q706 VanDerWaalsContact C-N 3.33Å; E704-Q706 PolarHBondContact O-N 3.41Å; E704-Q707 PolarHBondContact O-N 3.25Å; E704-Q708 WeakPolarHBondContact O-CG 3.42Å; E704-Q708 PolarHBondContact O-N 3.5Å
705	E	90.9	Very high	90.4	Very high	65 Å²	65	76.2 Å²	76.2	30%	0.304	38%	0.383	S	S	.	.	H	α-helix	trans	-63.3	-39.6	175.8	-75.9	177.9	-167.9	0	0	112.1	F700 S702 Q707 Q708 L709	F700-E705 VanDerWaalsContact CA-OE2 3.31Å; F700-E705 WeakPolarHBondContact CA-OE2 3.41Å; F700-E705 HydrophobicContact CD1-CB 3.89Å; F700-E705 HydrophobicContact CE1-CB 4.45Å; F700-E705 PolarHBondContact N-OE2 3.35Å; S702-E705 WeakPolarHBondContact OG-CB 3.35Å; S702-E705 VanDerWaalsContact OG-CG 3.28Å; S702-E705 WeakPolarHBondContact OG-CG 3.46Å; S702-E705 PolarHBondContact OG-N 2.81Å; E705-Q707 VanDerWaalsContact C-N 3.32Å; E705-Q708 PolarHBondContact O-N 2.84Å; E705-L709 PolarHBondContact O-N 2.89Å
706	Q	92.4	Very high	90.6	Very high	29 Å²	29	68.1 Å²	68.1	14%	0.136	35%	0.346	C	S	.	.	H	α-helix	trans	-64.9	-38.9	176	-65.4	-174.3	19.5	0	0	111.2	S512 P535 F700 S702 R703 E704 L709 L710	S512-Q706 PolarHBondContact OG-OE1 3.5Å; P535-Q706 HydrophobicContact CB-CG 3.89Å; P535-Q706 HydrophobicContact CG-CB 4.21Å; P535-Q706 HydrophobicContact CG-CG 3.88Å; F700-Q706 HydrophobicContact CB-CG 4.04Å; F700-Q706 HydrophobicContact CD1-CG 4.31Å; F700-Q706 PolarHBondContact O-NE2 3.17Å; S702-Q706 WeakPolarHBondContact O-CG 3.32Å; S702-Q706 PolarHBondContact O-N 3.44Å; R703-Q706 PolarHBondContact O-N 3.19Å; E704-Q706 VanDerWaalsContact C-N 3.33Å; E704-Q706 PolarHBondContact O-N 3.41Å; Q706-L709 PolarHBondContact O-N 3.11Å; Q706-L710 WeakPolarHBondContact O-CB 3.49Å; Q706-L710 PolarHBondContact O-N 2.94Å
707	Q	92.9	Very high	90.6	Very high	117 Å²	117	69.3 Å²	69.3	55%	0.547	36%	0.358	S	S	.	.	H	α-helix	trans	-69.6	-38.3	177.9	-167.5	169.7	8.9	0	0	112.2	R703 E704 E705 L709 L710 Q711	R703-Q707 WeakPolarHBondContact O-CB 3.27Å; R703-Q707 PolarHBondContact O-N 3.42Å; E704-Q707 PolarHBondContact O-N 3.25Å; E705-Q707 VanDerWaalsContact C-N 3.32Å; Q707-L709 VanDerWaalsContact C-N 3.33Å; Q707-L710 PolarHBondContact O-N 3.46Å; Q707-Q711 WeakPolarHBondContact O-CG 3.34Å; Q707-Q711 PolarHBondContact O-N 3.17Å
708	Q	93.5	Very high	90.3	Very high	118 Å²	118	66.7 Å²	66.7	55%	0.551	34%	0.344	S	S	*	.	H	α-helix	trans	-61.5	-42.3	172	-71.8	173.6	10.3	0	0	111.5	E704 E705 Q711 K712	E704-Q708 WeakPolarHBondContact O-CG 3.42Å; E704-Q708 PolarHBondContact O-N 3.5Å; E705-Q708 PolarHBondContact O-N 2.84Å; Q708-Q711 PolarHBondContact O-N 3.05Å; Q708-K712 PolarHBondContact O-N 3.41Å
709	L	93.3	Very high	89.8	Confident	4 Å²	4	71.8 Å²	71.8	2%	0.021	37%	0.37	C	S	.	.	H	α-helix	trans	-62.5	-44.6	174.6	-175.1	66.4	0	0	0	111.2	F515 M533 P535 E567 F700 E705 Q706 Q707 Q711 K712 V713	F515-L709 HydrophobicContact CZ-CB 4.28Å; F515-L709 HydrophobicContact CZ-CD2 3.99Å; F515-L709 HydrophobicContact CZ-CG 4.06Å; M533-L709 HydrophobicContact CE-CD1 3.78Å; M533-L709 WeakPolarHBondContact O-CD2 3.46Å; P535-L709 HydrophobicContact CG-CD2 4.18Å; E567-L709 HydrophobicContact CG-CD1 4.32Å; F700-L709 HydrophobicContact CE1-CB 3.88Å; F700-L709 HydrophobicContact CE1-CD2 3.84Å; F700-L709 HydrophobicContact CE1-CG 4.32Å; F700-L709 HydrophobicContact CZ-CB 4.43Å; F700-L709 HydrophobicContact CZ-CD1 4.35Å; F700-L709 HydrophobicContact CZ-CD2 3.73Å; F700-L709 HydrophobicContact CZ-CG 4.4Å; E705-L709 PolarHBondContact O-N 2.89Å; Q706-L709 PolarHBondContact O-N 3.11Å; Q707-L709 VanDerWaalsContact C-N 3.33Å; L709-Q711 PolarHBondContact O-N 3.01Å; L709-K712 WeakPolarHBondContact O-CB 3.49Å; L709-K712 PolarHBondContact O-N 3.19Å; L709-V713 WeakPolarHBondContact O-CG2 3.33Å; L709-V713 PolarHBondContact O-N 3.07Å
710	L	93.3	Very high	89.4	Confident	13 Å²	13	71.4 Å²	71.4	7%	0.068	37%	0.37	C	S	.	.	H	α-helix	trans	-60.5	-44.8	178.5	-177.4	61.1	0	0	0	111.6	E514 F515 E518 L530 Q706 Q707 K712 V713 L714	E514-L710 HydrophobicContact CB-CD2 3.8Å; F515-L710 HydrophobicContact CD1-CD1 3.96Å; F515-L710 HydrophobicContact CD2-CD1 4.26Å; F515-L710 HydrophobicContact CE1-CB 4.49Å; F515-L710 HydrophobicContact CE1-CD1 3.95Å; F515-L710 HydrophobicContact CE2-CB 3.88Å; F515-L710 HydrophobicContact CE2-CD1 4.25Å; F515-L710 HydrophobicContact CG-CD1 4.11Å; F515-L710 HydrophobicContact CZ-CB 3.84Å; F515-L710 HydrophobicContact CZ-CD1 4.09Å; E518-L710 HydrophobicContact CG-CD1 4.27Å; L530-L710 HydrophobicContact CD2-CD1 4.1Å; Q706-L710 WeakPolarHBondContact O-CB 3.49Å; Q706-L710 PolarHBondContact O-N 2.94Å; Q707-L710 PolarHBondContact O-N 3.46Å; L710-K712 VanDerWaalsContact C-N 3.29Å; L710-K712 PolarHBondContact O-N 3.16Å; L710-V713 PolarHBondContact O-N 2.74Å; L710-L714 HydrophobicContact CD1-CD1 4.37Å; L710-L714 HydrophobicContact CD1-CG 4.3Å; L710-L714 HydrophobicContact CG-CD1 4.07Å; L710-L714 HydrophobicContact CG-CG 4.41Å; L710-L714 WeakPolarHBondContact O-CB 3.32Å; L710-L714 WeakPolarHBondContact O-CG 3.23Å; L710-L714 PolarHBondContact O-N 3.5Å
711	Q	93.3	Very high	88.8	Confident	120 Å²	120	71.6 Å²	71.6	56%	0.561	37%	0.371	S	S	*	.	H	α-helix	trans	-60	-40.6	175.5	-74.8	178.7	-10.2	0	0	111.9	Q707 Q708 L709 V713 L714 A715	Q707-Q711 WeakPolarHBondContact O-CG 3.34Å; Q707-Q711 PolarHBondContact O-N 3.17Å; Q708-Q711 PolarHBondContact O-N 3.05Å; L709-Q711 PolarHBondContact O-N 3.01Å; Q711-V713 PolarHBondContact O-N 2.94Å; Q711-L714 PolarHBondContact O-N 2.87Å; Q711-A715 WeakPolarHBondContact O-CB 3.41Å; Q711-A715 PolarHBondContact O-N 3.02Å
712	K	92.3	Very high	88.3	Confident	93 Å²	93	71.5 Å²	71.5	40%	0.404	36%	0.36	S	S	.	.	H	α-helix	trans	-63.4	-40.3	175.6	-170.3	175.4	179.6	173	0	112.1	F563 E567 Q708 L709 L710 A715 A716	F563-K712 HydrophobicContact CZ-CG 4.28Å; E567-K712 IonicContact OE1-NZ 3.01Å; E567-K712 PolarHBondContact OE1-NZ 3.39Å; E567-K712 IonicContact OE2-NZ 2.67Å; E567-K712 PolarHBondContact OE2-NZ 3.43Å; Q708-K712 PolarHBondContact O-N 3.41Å; L709-K712 WeakPolarHBondContact O-CB 3.49Å; L709-K712 PolarHBondContact O-N 3.19Å; L710-K712 VanDerWaalsContact C-N 3.29Å; L710-K712 PolarHBondContact O-N 3.16Å; K712-A715 PolarHBondContact O-N 3.28Å; K712-A716 PolarHBondContact O-N 3.08Å
713	V	91.5	Very high	87.4	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-68.8	-39.6	175.9	175	0	0	0	0	111.5	F515 K526 L529 L530 M533 L709 L710 Q711 A715 A716	F515-V713 HydrophobicContact CE1-CG2 4.43Å; K526-V713 WeakPolarHBondContact CE-O 3.49Å; L529-V713 HydrophobicContact CB-CG1 3.9Å; L530-V713 HydrophobicContact CD2-CG1 3.77Å; L530-V713 HydrophobicContact CG-CG1 4.41Å; M533-V713 HydrophobicContact CB-CG2 3.66Å; M533-V713 HydrophobicContact CG-CG2 3.84Å; L709-V713 WeakPolarHBondContact O-CG2 3.33Å; L709-V713 PolarHBondContact O-N 3.07Å; L710-V713 PolarHBondContact O-N 2.74Å; Q711-V713 PolarHBondContact O-N 2.94Å; V713-A715 VanDerWaalsContact C-N 3.31Å; V713-A715 PolarHBondContact O-N 3.14Å; V713-A716 WeakPolarHBondContact O-CB 3.4Å; V713-A716 PolarHBondContact O-N 3.19Å
714	L	89.9	Confident	86.5	Confident	65 Å²	65	64 Å²	64	34%	0.34	33%	0.329	S	S	.	.	H	α-helix	trans	-70.2	-27.4	175.7	-69.7	175.6	0	0	0	112.6	E518 I522 K526 L710 Q711 A716	E518-L714 HydrophobicContact CG-CD2 4.38Å; I522-L714 HydrophobicContact CD1-CD2 4.29Å; K526-L714 PolarHBondContact NZ-O 2.83Å; L710-L714 HydrophobicContact CD1-CD1 4.37Å; L710-L714 HydrophobicContact CD1-CG 4.3Å; L710-L714 HydrophobicContact CG-CD1 4.07Å; L710-L714 HydrophobicContact CG-CG 4.41Å; L710-L714 WeakPolarHBondContact O-CB 3.32Å; L710-L714 WeakPolarHBondContact O-CG 3.23Å; L710-L714 PolarHBondContact O-N 3.5Å; Q711-L714 PolarHBondContact O-N 2.87Å; L714-A716 VanDerWaalsContact C-N 3.34Å
715	A	90.9	Very high	85.1	Confident	85 Å²	85	62 Å²	62	70%	0.702	33%	0.327	S	S	*	.	H	α-helix	trans	-77	-20.6	173	0	0	0	0	0	113.2	Q711 K712 V713	Q711-A715 WeakPolarHBondContact O-CB 3.41Å; Q711-A715 PolarHBondContact O-N 3.02Å; K712-A715 PolarHBondContact O-N 3.28Å; V713-A715 VanDerWaalsContact C-N 3.31Å; V713-A715 PolarHBondContact O-N 3.14Å
716	A	88.4	Confident	83.3	Confident	8 Å²	8	59.5 Å²	59.5	7%	0.066	32%	0.316	C	S	.	.	S	Bend	trans	-66.9	150.3	178.8	0	0	0	0	0	111.9	K526 L529 F563 K712 V713 L714 D720	K526-A716 VanDerWaalsContact CE-O 3.23Å; K526-A716 WeakPolarHBondContact CE-O 3.45Å; K526-A716 PolarHBondContact NZ-O 3.46Å; L529-A716 HydrophobicContact CD1-CB 3.95Å; F563-A716 HydrophobicContact CE2-CB 4.24Å; F563-A716 HydrophobicContact CZ-CB 4.13Å; K712-A716 PolarHBondContact O-N 3.08Å; V713-A716 WeakPolarHBondContact O-CB 3.4Å; V713-A716 PolarHBondContact O-N 3.19Å; L714-A716 VanDerWaalsContact C-N 3.34Å; A716-D720 HydrophobicContact CB-CB 4.22Å
717	S	85.4	Confident	80.8	Confident	52 Å²	52	63 Å²	63	36%	0.364	35%	0.35	S	S	.	.			trans	-86.9	166.3	179.9	69.2	0	0	0	0	111.6	L719 D720	S717-L719 PolarHBondContact O-N 3.34Å; S717-L719 PolarHBondContact OG-N 3.32Å; S717-D720 PolarHBondContact N-OD2 3.39Å; S717-D720 PolarHBondContact O-N 2.91Å; S717-D720 VanDerWaalsContact O-N 3.16Å; S717-D720 PolarHBondContact OG-OD2 3.14Å
718	D	80.2	Confident	78.4	Confident	79 Å²	79	61 Å²	61	42%	0.422	36%	0.36	S	S	.	.	H	α-helix	trans	-62.2	-26.7	173.4	-72.9	-42.7	0	0	0	112.2	K526 D720 A721 E722	K526-D718 WeakPolarHBondContact CB-OD1 3.49Å; K526-D718 PolarHBondContact N-OD1 2.92Å; D718-D720 VanDerWaalsContact C-N 3.29Å; D718-D720 PolarHBondContact O-N 3.43Å; D718-A721 WeakPolarHBondContact O-CB 3.4Å; D718-A721 PolarHBondContact O-N 3.2Å; D718-A721 VanDerWaalsContact O-N 3.08Å; D718-E722 PolarHBondContact O-N 3.22Å
719	L	77.3	Confident	75.8	Confident	112 Å²	112	58.8 Å²	58.8	59%	0.586	35%	0.35	S	S	*	.	H	α-helix	trans	-65.2	-33.3	175.8	-64.7	172.2	0	0	0	112.2	S717 A721 E722	S717-L719 PolarHBondContact O-N 3.34Å; S717-L719 PolarHBondContact OG-N 3.32Å; L719-A721 PolarHBondContact O-N 2.91Å; L719-E722 PolarHBondContact O-N 2.91Å
720	D	80.3	Confident	73	Confident	63 Å²	63	63.4 Å²	63.4	34%	0.337	38%	0.378	S	S	.	.	H	α-helix	trans	-72.8	-18.1	176.2	-57.9	-60.1	0	0	0	111.7	L529 N561 F563 A716 S717 D718	L529-D720 HydrophobicContact CD1-CB 4.37Å; N561-D720 PolarHBondContact ND2-O 3.46Å; N561-D720 PolarHBondContact OD1-O 3.27Å; F563-D720 HydrophobicContact CB-CB 4.18Å; F563-D720 HydrophobicContact CD2-CB 4.21Å; F563-D720 HydrophobicContact CG-CB 4.27Å; A716-D720 HydrophobicContact CB-CB 4.22Å; S717-D720 PolarHBondContact N-OD2 3.39Å; S717-D720 PolarHBondContact O-N 2.91Å; S717-D720 VanDerWaalsContact O-N 3.16Å; S717-D720 PolarHBondContact OG-OD2 3.14Å; D718-D720 VanDerWaalsContact C-N 3.29Å; D718-D720 PolarHBondContact O-N 3.43Å
721	A	76.8	Confident	70.2	Confident	3 Å²	3	66.5 Å²	66.5	3%	0.025	41%	0.414	C	S	.	.	H	α-helix	trans	-85.2	-15	177.1	0	0	0	0	0	113.2	L529 D718 L719	L529-A721 HydrophobicContact CD1-CB 3.78Å; L529-A721 HydrophobicContact CG-CB 3.68Å; D718-A721 WeakPolarHBondContact O-CB 3.4Å; D718-A721 PolarHBondContact O-N 3.2Å; D718-A721 VanDerWaalsContact O-N 3.08Å; L719-A721 PolarHBondContact O-N 2.91Å
722	E	78.7	Confident	67.1	Low	90 Å²	90	63.9 Å²	63.9	42%	0.421	41%	0.412	S	S	.	.	S	Bend	trans	-76.5	154.6	179.7	-61.9	-166.3	144.3	0	0	112.1	K525 D718 L719	K525-E722 IonicContact NZ-OE1 3.21Å; K525-E722 PolarHBondContact NZ-OE1 2.87Å; K525-E722 VanDerWaalsContact NZ-OE1 3.07Å; D718-E722 PolarHBondContact O-N 3.22Å; L719-E722 PolarHBondContact O-N 2.91Å
723	E	71.6	Confident	64	Low	52 Å²	52	70.6 Å²	70.6	24%	0.243	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-70.4	152.6	173	-70.8	-177.8	-161	0	0	111	D560 K606 H626 G627 V725	D560-E723 HydrophobicContact CB-CG 4.46Å; K606-E723 IonicContact NZ-OE2 2.58Å; K606-E723 PolarHBondContact NZ-OE2 2.94Å; H626-E723 HydrophobicContact CB-CG 4.5Å; H626-E723 VanDerWaalsContact CB-OE1 3.23Å; H626-E723 WeakPolarHBondContact CB-OE1 3.43Å; H626-E723 IonicContact CD2-OE1 3.45Å; H626-E723 PolarHBondContact CD2-OE1 2.92Å; H626-E723 IonicContact CG-OE1 3.07Å; G627-E723 PolarHBondContact N-OE1 3.44Å; E723-V725 PolarHBondContact O-N 3.28Å
724	E	70.8	Confident	60.9	Low	31 Å²	31	75.5 Å²	75.5	15%	0.145	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-66.8	116.8	170.7	-169.1	170.9	-154.1	0	0	110.3	V562 G579 S605 V726	V562-E724 HydrophobicContact CG2-CB 3.82Å; V562-E724 HydrophobicContact CG2-CG 4.08Å; G579-E724 WeakPolarHBondContact CA-OE1 3.45Å; G579-E724 PolarHBondContact N-OE1 3.05Å; S605-E724 WeakPolarHBondContact CB-OE2 3.34Å; S605-E724 PolarHBondContact OG-OE2 3.39Å; E724-V726 PolarHBondContact O-N 3.48Å
725	V	62.5	Low	58	Low	103 Å²	103	81.5 Å²	81.5	62%	0.624	49%	0.493	S	S	*	.			trans	-78.6	108.4	169.9	-176.7	0	0	0	0	108	E723 A732	E723-V725 PolarHBondContact O-N 3.28Å; V725-A732 HydrophobicContact CG1-CB 4.04Å
726	V	54.7	Low	55	Low	13 Å²	13	86.8 Å²	86.8	8%	0.079	50%	0.501	C	S	.	.			trans	-76.7	126	177.3	-176.8	0	0	0	0	109	K606 V607 E724 G728 E729	K606-V726 HydrophobicContact CB-CG2 4.17Å; K606-V726 HydrophobicContact CG-CG2 4.16Å; V607-V726 HydrophobicContact CG1-CG2 4.46Å; E724-V726 PolarHBondContact O-N 3.48Å; V726-G728 PolarHBondContact O-N 3.44Å; V726-E729 PolarHBondContact O-N 2.83Å
727	A	39.1	Very low	52.2	Low	103 Å²	103	90.8 Å²	90.8	85%	0.851	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	113.5	175.9	0	0	0	0	0	110.3
728	G	42.1	Very low	49.5	Very low	73 Å²	73	99.8 Å²	99.8	75%	0.753	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	122.5	-10.7	-177.8	0	0	0	0	0	115.3	V726 V730	V726-G728 PolarHBondContact O-N 3.44Å; G728-V730 PolarHBondContact O-N 3.35Å
729	E	39.3	Very low	47.4	Very low	73 Å²	73	107.3 Å²	107.3	34%	0.341	58%	0.577	S	S	.	*			trans	-69.6	115	166.5	-85	-173.1	151	0	0	109.9	K606 V726 G731	K606-E729 IonicContact NZ-OE2 2.69Å; V726-E729 PolarHBondContact O-N 2.83Å; E729-G731 PolarHBondContact O-N 3.11Å; E729-G731 VanDerWaalsContact O-N 3.08Å
730	V	34.3	Very low	45.4	Very low	100 Å²	100	108.9 Å²	108.9	61%	0.606	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	98.9	-176.9	-174.2	0	0	0	0	108.8	P444 M447 G728	P444-V730 HydrophobicContact CG-CB 4.43Å; P444-V730 HydrophobicContact CG-CG1 4.32Å; M447-V730 HydrophobicContact CE-CG1 4.11Å; M447-V730 HydrophobicContact CE-CG2 4.17Å; G728-V730 PolarHBondContact O-N 3.35Å
731	G	34.3	Very low	43.2	Very low	79 Å²	79	108.5 Å²	108.5	81%	0.814	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	159.9	-19.6	174.3	0	0	0	0	0	116.2	E729	E729-G731 PolarHBondContact O-N 3.11Å; E729-G731 VanDerWaalsContact O-N 3.08Å
732	A	29.6	Very low	41.5	Very low	64 Å²	64	113.3 Å²	113.3	53%	0.529	63%	0.631	S	S	.	*			trans	-94.3	118	-179.1	0	0	0	0	0	111.7	V725	V725-A732 HydrophobicContact CG1-CB 4.04Å
733	R	25.6	Very low	39.6	Very low	234 Å²	234	117.4 Å²	117.4	88%	0.883	65%	0.652	S	S	*	*			trans	-64	132.4	163.8	-76.9	-177.9	176.3	174.1	0.8	108.2	Q735	R733-Q735 PolarHBondContact O-N 3.1Å
734	P	28.3	Very low	38.2	Very low	104 Å²	104	119 Å²	119	68%	0.675	67%	0.669	S	S	*	*			trans	-68.1	102.9	174.6	26.6	-31	0	0	0	109	F736	P734-F736 HydrophobicContact CB-CD2 4.27Å; P734-F736 HydrophobicContact CB-CE2 3.96Å; P734-F736 HydrophobicContact CG-CE2 4.42Å; P734-F736 PolarHBondContact O-N 2.86Å
735	Q	28.6	Very low	36.9	Very low	191 Å²	191	120.5 Å²	120.5	89%	0.893	68%	0.683	S	S	*	*			trans	-83	94.2	175.7	-140.4	176.4	-10	0	0	108.2	R733 S737	R733-Q735 PolarHBondContact O-N 3.1Å; Q735-S737 PolarHBondContact O-N 3.25Å; Q735-S737 VanDerWaalsContact O-N 3.11Å
736	F	26.4	Very low	36.1	Very low	195 Å²	195	123.8 Å²	123.8	86%	0.855	69%	0.693	S	S	*	*			trans	-74.2	98	172.8	-78.7	-87.4	0	0	0	109.4	P734	P734-F736 HydrophobicContact CB-CD2 4.27Å; P734-F736 HydrophobicContact CB-CE2 3.96Å; P734-F736 HydrophobicContact CG-CE2 4.42Å; P734-F736 PolarHBondContact O-N 2.86Å
737	S	30	Very low	35.6	Very low	92 Å²	92	127.5 Å²	127.5	64%	0.643	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-89.4	130.9	168.8	-174.9	0	0	0	0	110.4	Q735 R739	Q735-S737 PolarHBondContact O-N 3.25Å; Q735-S737 VanDerWaalsContact O-N 3.11Å; S737-R739 PolarHBondContact O-N 3.49Å
738	R	29	Very low	35.6	Very low	242 Å²	242	126.1 Å²	126.1	91%	0.913	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-67.3	122	176	-81	-179.6	176.6	168.5	-1	109.7
739	R	36.1	Very low	35.6	Very low	237 Å²	237	126.7 Å²	126.7	89%	0.894	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-68.3	129.2	169.5	-73.7	-178.3	175.9	-179.2	-1.7	110.2	S737	S737-R739 PolarHBondContact O-N 3.49Å
740	V	35.1	Very low	35.3	Very low	145 Å²	145	129 Å²	129	88%	0.879	73%	0.728	S	S	*	*	P	Polyproline II helix	trans	-90.4	116.9	156.8	178.3	0	0	0	0	106.3
741	G	34	Very low	35.3	Very low	55 Å²	55	131.9 Å²	131.9	57%	0.567	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-67.7	133.7	-174.6	0	0	0	0	0	112.8
742	T	40.7	Very low	35.2	Very low	104 Å²	104	134 Å²	134	64%	0.638	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-72.5	146.6	164.6	17.5	0	0	0	0	110.1	S744 S745	T742-S744 PolarHBondContact O-N 2.71Å; T742-S745 WeakPolarHBondContact O-CB 3.19Å; T742-S745 PolarHBondContact O-N 2.74Å; T742-S745 PolarHBondContact O-OG 3.19Å
743	M	40	Very low	35.1	Very low	175 Å²	175	136.5 Å²	136.5	86%	0.862	75%	0.746	S	S	*	*	G	3₁₀ helix	trans	-51.1	-21.3	-176.7	-80.9	176.7	51.1	0	0	115.6	S745 M746	M743-S745 VanDerWaalsContact C-N 3.29Å; M743-S745 PolarHBondContact O-N 3.46Å; M743-M746 PolarHBondContact O-N 2.98Å
744	S	42.8	Very low	35.2	Very low	85 Å²	85	135.2 Å²	135.2	59%	0.594	74%	0.743	S	S	*	*	G	3₁₀ helix	trans	-64.8	-27.8	172.9	46	0	0	0	0	113.6	T742 M746 S747	T742-S744 PolarHBondContact O-N 2.71Å; S744-M746 VanDerWaalsContact C-N 3.26Å; S744-M746 PolarHBondContact O-N 3Å; S744-S747 PolarHBondContact O-N 3.19Å; S744-S747 PolarHBondContact O-OG 3.47Å
745	S	43.5	Very low	35.1	Very low	64 Å²	64	138.3 Å²	138.3	45%	0.448	75%	0.75	S	S	.	*	G	3₁₀ helix	trans	-74.6	-11.2	-179.4	75.1	0	0	0	0	113.9	T742 M743 S747	T742-S745 WeakPolarHBondContact O-CB 3.19Å; T742-S745 PolarHBondContact O-N 2.74Å; T742-S745 PolarHBondContact O-OG 3.19Å; M743-S745 VanDerWaalsContact C-N 3.29Å; M743-S745 PolarHBondContact O-N 3.46Å; S745-S747 VanDerWaalsContact C-N 3.33Å
746	M	43.7	Very low	34.9	Very low	171 Å²	171	136.4 Å²	136.4	84%	0.842	74%	0.741	S	S	*	*	G	3₁₀ helix	trans	-83.4	-9	174.9	-69	-173	70.8	0	0	113.2	M743 S744 G748	M743-M746 PolarHBondContact O-N 2.98Å; S744-M746 VanDerWaalsContact C-N 3.26Å; S744-M746 PolarHBondContact O-N 3Å; M746-G748 VanDerWaalsContact C-N 3.34Å; M746-G748 PolarHBondContact O-N 3.37Å
747	S	45.3	Very low	34.9	Very low	92 Å²	92	138.3 Å²	138.3	64%	0.643	74%	0.744	S	S	*	*	G	3₁₀ helix	trans	-88.7	8.4	-175.7	67.4	0	0	0	0	114.9	S744 S745 A749	S744-S747 PolarHBondContact O-N 3.19Å; S744-S747 PolarHBondContact O-OG 3.47Å; S745-S747 VanDerWaalsContact C-N 3.33Å; S747-A749 VanDerWaalsContact C-N 3.35Å; S747-A749 PolarHBondContact O-N 3.11Å
748	G	39.7	Very low	34.7	Very low	74 Å²	74	142.5 Å²	142.5	76%	0.763	75%	0.754	S	S	*	*	S	Bend	trans	71.8	20.4	168.4	0	0	0	0	0	115.9	M746	M746-G748 VanDerWaalsContact C-N 3.34Å; M746-G748 PolarHBondContact O-N 3.37Å
749	A	40.9	Very low	34.6	Very low	85 Å²	85	136.3 Å²	136.3	70%	0.702	75%	0.747	S	S	*	*			trans	-94.1	-8	-179.4	0	0	0	0	0	114.7	S747	S747-A749 VanDerWaalsContact C-N 3.35Å; S747-A749 PolarHBondContact O-N 3.11Å
750	D	32.6	Very low	34.2	Very low	121 Å²	121	136.7 Å²	136.7	65%	0.647	75%	0.749	S	S	*	*			trans	-100.5	103.8	176.4	-80.4	-22.4	0	0	0	110.2	T752	D750-T752 PolarHBondContact O-N 3.49Å
751	D	35.3	Very low	33.7	Very low	161 Å²	161	135.7 Å²	135.7	86%	0.861	75%	0.748	S	S	*	*			trans	-79.1	63	178.7	-140.6	6.7	0	0	0	110.2
752	T	32.8	Very low	33.4	Very low	124 Å²	124	140.3 Å²	140.3	76%	0.761	76%	0.76	S	S	*	*			trans	-105.6	85.6	172.1	56.3	0	0	0	0	110	D750 Y754	D750-T752 PolarHBondContact O-N 3.49Å; T752-Y754 PolarHBondContact O-N 2.92Å
753	V	26.7	Very low	32.8	Very low	115 Å²	115	145.6 Å²	145.6	70%	0.697	77%	0.774	S	S	*	*			trans	-70.4	115.9	166.6	177.3	0	0	0	0	109	M755	V753-M755 HydrophobicContact CG1-CG 4.21Å; V753-M755 PolarHBondContact O-N 3.29Å
754	Y	26.9	Very low	32.1	Very low	208 Å²	208	141.7 Å²	141.7	82%	0.816	77%	0.769	S	S	*	*			trans	-74.1	109.2	164.8	-151.8	-99.7	0	0	0	107.6	T752 E756	T752-Y754 PolarHBondContact O-N 2.92Å; Y754-E756 PolarHBondContact O-N 3.37Å
755	M	26.1	Very low	31.4	Very low	168 Å²	168	143.1 Å²	143.1	83%	0.828	78%	0.779	S	S	*	*			trans	-92.4	93.8	171.9	-83.7	-86.6	-80.2	0	0	108.8	V753	V753-M755 HydrophobicContact CG1-CG 4.21Å; V753-M755 PolarHBondContact O-N 3.29Å
756	E	25.6	Very low	30.6	Very low	151 Å²	151	145.1 Å²	145.1	71%	0.706	80%	0.8	S	S	*	*			trans	-82.2	126.5	164.9	-158.2	169.5	-153.6	0	0	108.4	Y754 Q758	Y754-E756 PolarHBondContact O-N 3.37Å; E756-Q758 PolarHBondContact O-N 2.84Å
757	Y	26.2	Very low	29.8	Very low	236 Å²	236	140.4 Å²	140.4	93%	0.925	80%	0.795	S	S	*	*			trans	-67	103.7	175.8	-109.5	-98.5	0	0	0	109.3
758	Q	25.5	Very low	29	Very low	180 Å²	180	141.9 Å²	141.9	84%	0.841	81%	0.805	S	S	*	*			trans	-125.2	134.5	156.6	-83.2	-171.3	-10.9	0	0	110.4	E756	E756-Q758 PolarHBondContact O-N 2.84Å
759	S	27.7	Very low	28.8	Very low	111 Å²	111	148.2 Å²	148.2	78%	0.776	81%	0.812	S	S	*	*			trans	-68.8	137.7	-171.9	57.7	0	0	0	0	114
760	R	26.5	Very low	28.4	Very low	246 Å²	246	150.2 Å²	150.2	93%	0.928	82%	0.82	S	S	*	*			trans	59.8	111.9	153.2	-69.1	-178.7	166.4	-178.5	-3.4	119
761	S	25.3	Very low	28.7	Very low	123 Å²	123	150 Å²	150	86%	0.86	82%	0.824	S	S	*	*				175.7	146.7	115.1	-174.5	0	0	0	0	112.1
762	N	27.3	Very low	28.8	Very low	153 Å²	153	148.3 Å²	148.3	82%	0.818	81%	0.81	S	S	*	*			trans	-61.4	143.3	-178.2	-80.2	-28.3	0	0	0	115.5
763	K	27.7	Very low	29.1	Very low	215 Å²	215	147.7 Å²	147.7	94%	0.935	81%	0.808	S	S	*	*				179.2	158.3	117.4	-103.6	176.6	-179.4	176.8	0	113.1
764	A	27.2	Very low	29.9	Very low	92 Å²	92	148.4 Å²	148.4	76%	0.76	81%	0.808	S	S	*	*			trans	-85	163	-163.6	0	0	0	0	0	116.5
765	S	27	Very low	30.7	Very low	115 Å²	115	146 Å²	146	80%	0.804	80%	0.802	S	S	*	*			trans	124.1	134.6	134.9	74.9	0	0	0	0	117.5
766	A	26.6	Very low	31.6	Very low	107 Å²	107	147.4 Å²	147.4	88%	0.884	80%	0.803	S	S	*	*			trans	63.7	136.4	160	0	0	0	0	0	118.1
767	G	26.8	Very low	32.3	Very low	71 Å²	71	151.2 Å²	151.2	73%	0.732	81%	0.811	S	S	*	*			cis	130.4	96.6	16	0	0	0	0	0	109.2
768	S	28.3	Very low	33.2	Very low	124 Å²	124	149.5 Å²	149.5	87%	0.867	81%	0.809	S	S	*	*			trans	156.7	126.3	141.5	63	0	0	0	0	111
769	K	36.3	Very low	33.9	Very low	207 Å²	207	152.3 Å²	152.3	90%	0.9	81%	0.811	S	S	*	*			trans	-86.2	122.7	175.6	-69.7	174.8	175.8	178.1	0	108.5
770	S	31.2	Very low	34.3	Very low	126 Å²	126	160.6 Å²	160.6	88%	0.881	83%	0.834	S	S	*	*			trans	-97.9	111	166.5	48.3	0	0	0	0	109.5
771	V	40	Very low	34.7	Very low	118 Å²	118	156.4 Å²	156.4	72%	0.715	83%	0.829	S	S	*	*			trans	-92.2	143	178.2	173.7	0	0	0	0	109.6
772	H	38.3	Very low	35.2	Very low	124 Å²	124	158.1 Å²	158.1	57%	0.574	83%	0.827	S	S	*	*			trans	-59.4	139.8	-177.5	-163.8	-89.4	0	0	0	113.5	L774	H772-L774 PolarHBondContact O-N 3.04Å
773	P	37.3	Very low	35.6	Very low	111 Å²	111	158.4 Å²	158.4	72%	0.721	83%	0.828	S	S	*	*	G	3₁₀ helix	trans	-62.9	-15.4	-171.6	-23	32.5	0	0	0	116.9	F775	P773-F775 VanDerWaalsContact C-N 3.33Å; P773-F775 PolarHBondContact O-N 3.45Å
774	L	45.3	Very low	36.1	Very low	131 Å²	131	155.1 Å²	155.1	69%	0.686	82%	0.821	S	S	*	*	G	3₁₀ helix	trans	-75	-12.3	-172.6	-96.7	161.3	0	0	0	115.1	H772	H772-L774 PolarHBondContact O-N 3.04Å
775	F	43.4	Very low	36.7	Very low	158 Å²	158	159 Å²	159	69%	0.693	83%	0.825	S	S	*	*	G	3₁₀ helix	trans	-94.8	7.4	-175.8	-71.4	-73.1	0	0	0	115.7	P773 R777	P773-F775 VanDerWaalsContact C-N 3.33Å; P773-F775 PolarHBondContact O-N 3.45Å; F775-R777 VanDerWaalsContact C-N 3.34Å; F775-R777 PolarHBondContact O-N 3.46Å
776	K	45.2	Very low	37.3	Very low	196 Å²	196	161.9 Å²	161.9	85%	0.852	83%	0.827	S	S	*	*	G	3₁₀ helix	trans	-77.7	-10.2	177.3	-97.1	-177	177.1	178.3	0	115.2
777	R	39.7	Very low	38.1	Very low	232 Å²	232	165.9 Å²	165.9	88%	0.875	82%	0.823	S	S	*	*	G	3₁₀ helix	trans	-104.9	0.1	-168.8	-100.7	-179	170.2	177.8	-3	117.2	F775	F775-R777 VanDerWaalsContact C-N 3.34Å; F775-R777 PolarHBondContact O-N 3.46Å
778	F	45	Very low	38.9	Very low	200 Å²	200	173.2 Å²	173.2	88%	0.877	83%	0.83	S	S	*	*	S	Bend	trans	-114.1	29.8	177.4	-73.5	-74.8	0	0	0	114
779	R	40.4	Very low	39.8	Very low	238 Å²	238	177.3 Å²	177.3	90%	0.898	83%	0.826	S	S	*	*			trans	-118.3	88.1	161.5	-92.9	-175.1	171.2	177.6	-2.5	109.6
780	K	36.1	Very low	40.2	Very low	286 Å²	286	174.5 Å²	174.5	100%	1.243	82%	0.82	S	S	*	*			trans	-150.2	0	136.1	-104.8	-173.8	-179.8	-175	0	108

Retrieved 780 of 780 residues in 383.8 ms (Link to these results)

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