G4V7J6_SCHMA Loading...

Putative zinc finger protein

AlphaFold DB (A0A5K4EDK5), UniProt , Accession G4V7J6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 326 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	31	Very low	247 Å²	247	156.8 Å²	156.8	100%	1.217	87%	0.869	S	S	*	*				0	150.7	0	-69.8	-172	174.9	0	0	108.3
2	E	37.8	Very low	31.3	Very low	205 Å²	205	153.6 Å²	153.6	96%	0.958	87%	0.866	S	S	*	*			trans	-62.1	157.5	-153.4	-55.5	176.3	125.5	0	0	116.2
3	G	36.6	Very low	31	Very low	78 Å²	78	153.5 Å²	153.5	80%	0.804	86%	0.862	S	S	*	*			trans	169.5	30	169.7	0	0	0	0	0	115.5	G5	G3-G5 PolarHBondContact O-N 3.29Å; G3-G5 VanDerWaalsContact O-N 3.14Å
4	G	30.8	Very low	30.7	Very low	80 Å²	80	154.9 Å²	154.9	83%	0.825	87%	0.866	S	S	*	*			trans	-79.4	88.7	175.8	0	0	0	0	0	111.2	K6	G4-K6 PolarHBondContact O-N 3.16Å
5	G	31.2	Very low	30.7	Very low	76 Å²	76	151.2 Å²	151.2	78%	0.784	86%	0.855	S	S	*	*			trans	-66.7	95	174.4	0	0	0	0	0	112	G3 L7	G3-G5 PolarHBondContact O-N 3.29Å; G3-G5 VanDerWaalsContact O-N 3.14Å; G5-L7 PolarHBondContact O-N 3.15Å
6	K	33.1	Very low	30.4	Very low	185 Å²	185	152 Å²	152	80%	0.804	86%	0.855	S	S	*	*			trans	-78.9	106.6	165.5	-78.5	179.3	175.6	176.7	0	108.7	G4 N8	G4-K6 PolarHBondContact O-N 3.16Å; K6-N8 VanDerWaalsContact C-N 3.31Å; K6-N8 PolarHBondContact O-N 3.29Å
7	L	30.6	Very low	30.1	Very low	176 Å²	176	149.3 Å²	149.3	92%	0.921	86%	0.856	S	S	*	*			trans	-70.9	90	165.4	-74.4	167.2	0	0	0	108.5	G5 R9	G5-L7 PolarHBondContact O-N 3.15Å; L7-R9 PolarHBondContact O-N 2.91Å
8	N	26.3	Very low	30.1	Very low	135 Å²	135	146.6 Å²	146.6	72%	0.722	85%	0.848	S	S	*	*			trans	-65.3	108.3	166.8	-74.9	-27.2	0	0	0	108.2	K6 E10	K6-N8 VanDerWaalsContact C-N 3.31Å; K6-N8 PolarHBondContact O-N 3.29Å; N8-E10 PolarHBondContact O-N 3.19Å
9	R	24.7	Very low	29.8	Very low	252 Å²	252	147.7 Å²	147.7	95%	0.951	84%	0.842	S	S	*	*			trans	-84.7	93.9	168.5	-149.3	175	-166.3	166.9	4.2	106.5	L7	L7-R9 PolarHBondContact O-N 2.91Å
10	E	25.5	Very low	29.9	Very low	172 Å²	172	145.2 Å²	145.2	80%	0.804	83%	0.833	S	S	*	*			trans	-64.2	140.5	177.1	-64.2	-137.7	122.7	0	0	110.9	N8	N8-E10 PolarHBondContact O-N 3.19Å
11	P	28.3	Very low	29.8	Very low	119 Å²	119	144.7 Å²	144.7	77%	0.773	82%	0.823	S	S	*	*			trans	-77.4	125.8	176	21.2	-12.5	0	0	0	110	D13	P11-D13 PolarHBondContact O-N 3.44Å
12	S	33.8	Very low	29.6	Very low	118 Å²	118	139.4 Å²	139.4	83%	0.825	80%	0.8	S	S	*	*			trans	-63	105.8	175.5	56.7	0	0	0	0	111.2
13	D	28.3	Very low	29	Very low	152 Å²	152	136.5 Å²	136.5	81%	0.813	79%	0.791	S	S	*	*			trans	22.6	113.1	149.8	-61.6	-36.5	0	0	0	119.3	P11 S15	P11-D13 PolarHBondContact O-N 3.44Å; D13-S15 PolarHBondContact O-N 3.42Å
14	N	26.2	Very low	28.8	Very low	173 Å²	173	140.6 Å²	140.6	93%	0.925	79%	0.793	S	S	*	*			trans	-55.3	121	145.2	-88.9	-19.9	0	0	0	110.3
15	S	31	Very low	28.8	Very low	100 Å²	100	142.5 Å²	142.5	70%	0.699	79%	0.788	S	S	*	*			trans	-146.4	111.6	149.1	82.1	0	0	0	0	111.8	D13	D13-S15 PolarHBondContact O-N 3.42Å
16	L	25.6	Very low	28.6	Very low	164 Å²	164	147.4 Å²	147.4	86%	0.859	79%	0.791	S	S	*	*			trans	59.1	112.1	140.9	-62.8	166.8	0	0	0	119.1	S18	L16-S18 PolarHBondContact O-N 3.42Å; L16-S18 VanDerWaalsContact O-N 3.11Å
17	A	26.1	Very low	28.6	Very low	106 Å²	106	143.6 Å²	143.6	88%	0.876	79%	0.788	S	S	*	*			trans	-50	108.9	151.2	0	0	0	0	0	110.6
18	S	29.6	Very low	28.9	Very low	100 Å²	100	142.6 Å²	142.6	70%	0.699	78%	0.782	S	S	*	*			trans	-89	109.8	162.7	67.6	0	0	0	0	108.5	L16 C20	L16-S18 PolarHBondContact O-N 3.42Å; L16-S18 VanDerWaalsContact O-N 3.11Å; S18-C20 PolarHBondContact O-N 3.2Å
19	F	25.1	Very low	29.4	Very low	168 Å²	168	144.8 Å²	144.8	74%	0.737	79%	0.792	S	S	*	*			trans	-69.4	105.5	172.3	-172.1	-112.1	0	0	0	108.6	Q21	F19-Q21 HydrophobicContact CD1-CG 4.07Å; F19-Q21 HydrophobicContact CE1-CG 3.64Å; F19-Q21 HydrophobicContact CZ-CG 3.95Å
20	C	30.7	Very low	30.4	Very low	98 Å²	98	137.6 Å²	137.6	66%	0.662	78%	0.776	S	S	*	*			trans	-105.9	89.9	176.8	-50.2	0	0	0	0	108.6	S18 N22	S18-C20 PolarHBondContact O-N 3.2Å; C20-N22 PolarHBondContact O-N 3.48Å
21	Q	27.6	Very low	31.4	Very low	135 Å²	135	137 Å²	137	63%	0.631	77%	0.774	S	S	*	*			trans	-78	101.8	161.7	-73.9	164.7	-39	0	0	107	F19	F19-Q21 HydrophobicContact CD1-CG 4.07Å; F19-Q21 HydrophobicContact CE1-CG 3.64Å; F19-Q21 HydrophobicContact CZ-CG 3.95Å
22	N	32.2	Very low	33.1	Very low	135 Å²	135	136.7 Å²	136.7	72%	0.722	77%	0.771	S	S	*	*			trans	-94.3	100.7	162.7	-72.7	-8.2	0	0	0	106.6	C20 I24	C20-N22 PolarHBondContact O-N 3.48Å; N22-I24 PolarHBondContact O-N 3.04Å
23	D	25.9	Very low	34.9	Very low	145 Å²	145	134.8 Å²	134.8	78%	0.775	75%	0.751	S	S	*	*			trans	-63	106.8	166.7	-67.2	-46.7	0	0	0	108.3	T25	D23-T25 PolarHBondContact O-N 2.94Å
24	I	32.2	Very low	37.3	Very low	164 Å²	164	130.8 Å²	130.8	84%	0.841	73%	0.734	S	S	*	*			trans	-89.5	101.4	173.5	-44.5	176.7	0	0	0	106.9	N22	N22-I24 PolarHBondContact O-N 3.04Å
25	T	30.1	Very low	39.8	Very low	119 Å²	119	125.9 Å²	125.9	73%	0.73	71%	0.706	S	S	*	*			trans	-63.3	127.3	173.8	49.4	0	0	0	0	112	D23	D23-T25 PolarHBondContact O-N 2.94Å
26	E	27.5	Very low	42.1	Very low	180 Å²	180	125.6 Å²	125.6	84%	0.841	70%	0.697	S	S	*	*			trans	43.8	134.6	130.4	-149.6	175.5	-176.1	0	0	121.9
27	S	32.1	Very low	44.8	Very low	105 Å²	105	121.5 Å²	121.5	73%	0.734	68%	0.675	S	S	*	*			trans	89.4	137.9	155.2	77.7	0	0	0	0	119
28	L	37.1	Very low	47.6	Very low	154 Å²	154	121.1 Å²	121.1	81%	0.806	65%	0.651	S	S	*	*			trans	84.4	105.8	-176.8	-51.1	174.8	0	0	0	114.9	T30	L28-T30 PolarHBondContact O-N 3.34Å
29	I	38.1	Very low	50.3	Low	182 Å²	182	117 Å²	117	93%	0.933	62%	0.621	S	S	*	*			trans	-68	66.8	175.2	-53.3	164.2	0	0	0	108.4
30	T	44.8	Very low	53.3	Low	100 Å²	100	111.7 Å²	111.7	61%	0.613	61%	0.609	S	S	*	*			trans	-83.7	128.5	163.3	-44.9	0	0	0	0	104.4	L28 P32	L28-T30 PolarHBondContact O-N 3.34Å; T30-P32 VanDerWaalsContact O-N 3.09Å
31	Q	46.7	Very low	56.1	Low	161 Å²	161	112.9 Å²	112.9	75%	0.752	60%	0.604	S	S	*	*			trans	-43.5	125.8	170.3	-70.4	-67.7	-29.7	0	0	107.4	I33	Q31-I33 PolarHBondContact O-N 2.81Å
32	P	64.7	Low	59.1	Low	111 Å²	111	107.6 Å²	107.6	72%	0.721	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-50.5	117.3	-174.6	-25.2	31	0	0	0	108.3	T30 P34	T30-P32 VanDerWaalsContact O-N 3.09Å; P32-P34 WeakPolarHBondContact O-CD 3.42Å
33	I	70.9	Confident	61.9	Low	78 Å²	78	101.9 Å²	101.9	40%	0.4	55%	0.55	S	S	.	.	P	Polyproline II helix	trans	-50.6	122.4	-177.4	-64.9	169.8	0	0	0	107	Q31 I35 I37	Q31-I33 PolarHBondContact O-N 2.81Å; I33-I35 PolarHBondContact O-N 2.78Å; I33-I37 HydrophobicContact CG2-CB 3.77Å; I33-I37 HydrophobicContact CG2-CG2 3.71Å
34	P	79.9	Confident	65	Low	69 Å²	69	99.3 Å²	99.3	45%	0.448	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-47.2	132.1	178.6	-32.4	35.4	0	0	0	110.7	P32 N36 I37 R38	P32-P34 WeakPolarHBondContact O-CD 3.42Å; P34-N36 WeakPolarHBondContact CB-OD1 3.32Å; P34-N36 PolarHBondContact O-N 3.31Å; P34-N36 VanDerWaalsContact O-N 3.09Å; P34-N36 PolarHBondContact O-OD1 3.23Å; P34-I37 HydrophobicContact CB-CD1 4.09Å; P34-I37 HydrophobicContact CB-CG1 4.19Å; P34-I37 HydrophobicContact CG-CD1 4Å; P34-I37 WeakPolarHBondContact O-CA 3.1Å; P34-I37 WeakPolarHBondContact O-CB 3.24Å; P34-I37 PolarHBondContact O-N 3.43Å; P34-R38 PolarHBondContact O-N 2.74Å
35	I	79	Confident	67.7	Low	69 Å²	69	95.6 Å²	95.6	35%	0.354	51%	0.512	S	S	.	.	H	α-helix	trans	-63.4	-27.2	-167	-163.4	143.2	0	0	0	113.1	I33 I37 R38 I39 Y78 I80	I33-I35 PolarHBondContact O-N 2.78Å; I35-I37 VanDerWaalsContact C-N 3.32Å; I35-I37 PolarHBondContact O-N 3.04Å; I35-R38 PolarHBondContact O-N 2.8Å; I35-I39 HydrophobicContact CG1-CD1 4.31Å; I35-I39 WeakPolarHBondContact O-CB 3.28Å; I35-I39 WeakPolarHBondContact O-CD1 3.39Å; I35-I39 WeakPolarHBondContact O-CG1 3.15Å; I35-I39 PolarHBondContact O-N 3.44Å; I35-Y78 HydrophobicContact CD1-CD1 4.08Å; I35-Y78 HydrophobicContact CD1-CG 4.1Å; I35-Y78 HydrophobicContact CG1-CG 4.4Å; I35-I80 HydrophobicContact CD1-CD1 3.55Å; I35-I80 HydrophobicContact CD1-CG1 4.1Å; I35-I80 HydrophobicContact CG1-CD1 3.72Å; I35-I80 HydrophobicContact CG2-CD1 4.11Å
36	N	79.2	Confident	70.4	Confident	94 Å²	94	93.6 Å²	93.6	50%	0.503	49%	0.493	S	S	.	.	H	α-helix	trans	-61.4	-37.1	171.4	61.4	-27.1	0	0	0	112.7	P34 A40	P34-N36 WeakPolarHBondContact CB-OD1 3.32Å; P34-N36 PolarHBondContact O-N 3.31Å; P34-N36 VanDerWaalsContact O-N 3.09Å; P34-N36 PolarHBondContact O-OD1 3.23Å; N36-A40 WeakPolarHBondContact O-CB 3.29Å; N36-A40 PolarHBondContact O-N 3.12Å
37	I	82.4	Confident	73	Confident	79 Å²	79	91.3 Å²	91.3	41%	0.405	49%	0.486	S	S	.	.	H	α-helix	trans	-68.6	-44.7	175.3	-61.9	178.8	0	0	0	109.6	I33 P34 I35 I39 A40 Q41	I33-I37 HydrophobicContact CG2-CB 3.77Å; I33-I37 HydrophobicContact CG2-CG2 3.71Å; P34-I37 HydrophobicContact CB-CD1 4.09Å; P34-I37 HydrophobicContact CB-CG1 4.19Å; P34-I37 HydrophobicContact CG-CD1 4Å; P34-I37 WeakPolarHBondContact O-CA 3.1Å; P34-I37 WeakPolarHBondContact O-CB 3.24Å; P34-I37 PolarHBondContact O-N 3.43Å; I35-I37 VanDerWaalsContact C-N 3.32Å; I35-I37 PolarHBondContact O-N 3.04Å; I37-I39 PolarHBondContact O-N 3.02Å; I37-A40 WeakPolarHBondContact O-CB 3.34Å; I37-A40 PolarHBondContact O-N 2.95Å; I37-Q41 WeakPolarHBondContact O-CG 3.42Å; I37-Q41 PolarHBondContact O-N 2.81Å
38	R	82.9	Confident	75.1	Confident	97 Å²	97	88.8 Å²	88.8	37%	0.366	47%	0.468	S	S	.	.	H	α-helix	trans	-62.1	-42.8	177.4	-148.6	175.4	54.1	-151.5	4.1	112	P34 I35 A40 Q41 D42 Y78	P34-R38 PolarHBondContact O-N 2.74Å; I35-R38 PolarHBondContact O-N 2.8Å; R38-A40 VanDerWaalsContact C-N 3.29Å; R38-A40 PolarHBondContact O-N 3.48Å; R38-Q41 PolarHBondContact O-N 3.1Å; R38-D42 PolarHBondContact O-N 3.24Å; R38-Y78 WeakPolarHBondContact CB-OH 3.27Å; R38-Y78 WeakPolarHBondContact CG-OH 3.44Å; R38-Y78 VanDerWaalsContact CZ-CE1 3.44Å; R38-Y78 PolarHBondContact NE-OH 3.48Å; R38-Y78 VanDerWaalsContact NE-OH 3.14Å
39	I	86.9	Confident	77.2	Confident	14 Å²	14	90.8 Å²	90.8	7%	0.072	47%	0.473	C	S	.	.	H	α-helix	trans	-57.9	-41.6	171.6	-70	160.8	0	0	0	111.2	I35 I37 D42 I43 K70 L73 I74 Y78 I80	I35-I39 HydrophobicContact CG1-CD1 4.31Å; I35-I39 WeakPolarHBondContact O-CB 3.28Å; I35-I39 WeakPolarHBondContact O-CD1 3.39Å; I35-I39 WeakPolarHBondContact O-CG1 3.15Å; I35-I39 PolarHBondContact O-N 3.44Å; I37-I39 PolarHBondContact O-N 3.02Å; I39-D42 PolarHBondContact O-N 3.4Å; I39-I43 HydrophobicContact CG2-CD1 4.32Å; I39-I43 WeakPolarHBondContact O-CD1 3.44Å; I39-I43 VanDerWaalsContact O-CG1 3.31Å; I39-I43 WeakPolarHBondContact O-CG1 3.41Å; I39-K70 HydrophobicContact CG2-CG 4.17Å; I39-L73 HydrophobicContact CG2-CB 4.39Å; I39-L73 HydrophobicContact CG2-CD1 4.05Å; I39-L73 WeakPolarHBondContact O-CD1 3.1Å; I39-I74 HydrophobicContact CD1-CD1 4.3Å; I39-I74 HydrophobicContact CD1-CG1 3.64Å; I39-I74 HydrophobicContact CG1-CG1 4.48Å; I39-Y78 HydrophobicContact CB-CE2 4.32Å; I39-Y78 HydrophobicContact CD1-CD2 4.26Å; I39-Y78 HydrophobicContact CD1-CE2 4.48Å; I39-Y78 HydrophobicContact CG1-CD2 3.58Å; I39-Y78 HydrophobicContact CG1-CE2 3.37Å; I39-I80 HydrophobicContact CD1-CD1 4.12Å
40	A	88.3	Confident	79.2	Confident	57 Å²	57	85.9 Å²	85.9	47%	0.471	47%	0.468	S	S	.	.	H	α-helix	trans	-66.5	-40.2	178.6	0	0	0	0	0	112.1	N36 I37 R38 D42 I43	N36-A40 WeakPolarHBondContact O-CB 3.29Å; N36-A40 PolarHBondContact O-N 3.12Å; I37-A40 WeakPolarHBondContact O-CB 3.34Å; I37-A40 PolarHBondContact O-N 2.95Å; R38-A40 VanDerWaalsContact C-N 3.29Å; R38-A40 PolarHBondContact O-N 3.48Å; A40-D42 VanDerWaalsContact C-N 3.32Å; A40-D42 PolarHBondContact O-N 3.18Å; A40-I43 PolarHBondContact O-N 3.43Å
41	Q	89.7	Confident	81.1	Confident	122 Å²	122	83.8 Å²	83.8	57%	0.57	46%	0.457	S	S	*	.	H	α-helix	trans	-65.9	-32.2	177.6	-71.7	172.2	-23.8	0	0	112.8	I37 R38 I43	I37-Q41 WeakPolarHBondContact O-CG 3.42Å; I37-Q41 PolarHBondContact O-N 2.81Å; R38-Q41 PolarHBondContact O-N 3.1Å; Q41-I43 PolarHBondContact O-N 3.27Å
42	D	91.6	Very high	83.1	Confident	24 Å²	24	81.3 Å²	81.3	13%	0.128	44%	0.444	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-2	178.6	-72.7	-28.1	0	0	0	114.7	R38 I39 A40 S57 L58 L73 Y78	R38-D42 PolarHBondContact O-N 3.24Å; I39-D42 PolarHBondContact O-N 3.4Å; A40-D42 VanDerWaalsContact C-N 3.32Å; A40-D42 PolarHBondContact O-N 3.18Å; D42-S57 VanDerWaalsContact CA-OG 3.22Å; D42-S57 WeakPolarHBondContact CA-OG 3.37Å; D42-S57 VanDerWaalsContact CB-OG 3.22Å; D42-S57 WeakPolarHBondContact CB-OG 3.29Å; D42-S57 VanDerWaalsContact CG-OG 3.24Å; D42-S57 PolarHBondContact O-N 3.32Å; D42-S57 PolarHBondContact O-OG 2.76Å; D42-S57 PolarHBondContact OD1-OG 2.9Å; D42-L58 WeakPolarHBondContact OD2-CD1 3.39Å; D42-L73 HydrophobicContact CB-CD1 3.84Å; D42-L73 HydrophobicContact CB-CD2 3.7Å; D42-L73 HydrophobicContact CB-CG 4.45Å; D42-Y78 PolarHBondContact OD2-OH 2.76Å
43	I	91	Very high	84.4	Confident	15 Å²	15	76.3 Å²	76.3	8%	0.077	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	111.8	174.8	-66.4	165.7	0	0	0	108.8	I39 A40 Q41 E45 F54 I69 K70 L73	I39-I43 HydrophobicContact CG2-CD1 4.32Å; I39-I43 WeakPolarHBondContact O-CD1 3.44Å; I39-I43 VanDerWaalsContact O-CG1 3.31Å; I39-I43 WeakPolarHBondContact O-CG1 3.41Å; A40-I43 PolarHBondContact O-N 3.43Å; Q41-I43 PolarHBondContact O-N 3.27Å; I43-E45 HydrophobicContact CG2-CG 4.39Å; I43-F54 HydrophobicContact CG2-CB 4.32Å; I43-F54 HydrophobicContact CG2-CD1 3.67Å; I43-F54 HydrophobicContact CG2-CG 4.45Å; I43-I69 HydrophobicContact CB-CD1 4.39Å; I43-I69 HydrophobicContact CD1-CG2 4.09Å; I43-I69 HydrophobicContact CG1-CD1 4.08Å; I43-I69 HydrophobicContact CG1-CG1 4.09Å; I43-I69 HydrophobicContact CG1-CG2 3.95Å; I43-I69 HydrophobicContact CG2-CD1 4.24Å; I43-I69 HydrophobicContact CG2-CG2 4.08Å; I43-K70 HydrophobicContact CD1-CD 4.4Å; I43-K70 HydrophobicContact CD1-CG 3.44Å; I43-K70 VanDerWaalsContact CD1-CG 3.44Å; I43-L73 HydrophobicContact CD1-CD1 4.23Å; I43-L73 HydrophobicContact CG1-CD1 3.56Å
44	Q	90.2	Very high	85.4	Confident	92 Å²	92	73.3 Å²	73.3	43%	0.43	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.8	172.8	-63.9	178.6	-10.5	0	0	110	F54 K55	Q44-F54 CarbonylContact O-C 3.46Å; Q44-F54 VanDerWaalsContact O-CA 3.27Å; Q44-F54 WeakPolarHBondContact O-CA 3.47Å; Q44-K55 HydrophobicContact CB-CB 4.3Å; Q44-K55 WeakPolarHBondContact CB-O 3.38Å; Q44-K55 PolarHBondContact N-O 3.44Å; Q44-K55 PolarHBondContact O-N 3.07Å
45	E	88.9	Confident	86	Confident	85 Å²	85	74.2 Å²	74.2	40%	0.397	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	132.3	177.1	-72.2	175	-137.4	0	0	110.8	I43 K52 F54 R66	I43-E45 HydrophobicContact CG2-CG 4.39Å; E45-K52 WeakPolarHBondContact OE2-CE 3.38Å; E45-K52 IonicContact OE2-NZ 3.75Å; E45-K52 PolarHBondContact OE2-NZ 2.74Å; E45-F54 HydrophobicContact CG-CD1 3.46Å; E45-F54 VanDerWaalsContact CG-CD1 3.46Å; E45-F54 HydrophobicContact CG-CE1 3.46Å; E45-F54 VanDerWaalsContact CG-CE1 3.46Å; E45-R66 IonicContact OE1-CZ 2.78Å; E45-R66 IonicContact OE1-NH1 3.24Å; E45-R66 PolarHBondContact OE1-NH1 3.24Å; E45-R66 IonicContact OE1-NH2 3.69Å; E45-R66 PolarHBondContact OE1-NH2 3.38Å; E45-R66 IonicContact OE2-NH2 3.24Å; E45-R66 PolarHBondContact OE2-NH2 3.13Å
46	F	85.8	Confident	86.7	Confident	77 Å²	77	71 Å²	71	34%	0.338	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	167.2	176.9	71.9	-72.7	0	0	0	111.6	C48 S53 K55 T62	F46-C48 HydrophobicContact CE2-CB 4.02Å; F46-S53 PolarHBondContact N-O 3.11Å; F46-S53 PolarHBondContact O-N 2.88Å; F46-K55 HydrophobicContact CD1-CB 4.01Å; F46-K55 HydrophobicContact CE1-CB 3.5Å; F46-K55 HydrophobicContact CZ-CB 4.37Å; F46-T62 HydrophobicContact CE1-CG2 3.83Å; F46-T62 HydrophobicContact CZ-CG2 3.59Å
47	L	83.6	Confident	87.2	Confident	133 Å²	133	68.7 Å²	68.7	70%	0.696	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.5	177.1	-68.8	170.2	0	0	0	110.2	K52	L47-K52 HydrophobicContact CD2-CB 4.37Å
48	C	74.9	Confident	87.7	Confident	51 Å²	51	68.9 Å²	68.9	35%	0.345	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	116.1	173.5	-172.2	0	0	0	0	108.8	F46 G50 S51	F46-C48 HydrophobicContact CE2-CB 4.02Å; C48-G50 VanDerWaalsContact C-N 3.28Å; C48-G50 PolarHBondContact O-N 2.87Å; C48-S51 PolarHBondContact N-O 3.25Å; C48-S51 PolarHBondContact O-N 3.49Å; C48-S51 VanDerWaalsContact O-O 3.1Å; C48-S51 PolarHBondContact O-OG 3.25Å
49	Q	82.1	Confident	88.1	Confident	196 Å²	196	66 Å²	66	92%	0.916	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	44.9	177.3	-61.3	175.8	-6.5	0	0	113.2	S51	Q49-S51 PolarHBondContact O-N 3.1Å
50	G	80.6	Confident	88.3	Confident	80 Å²	80	71.7 Å²	71.7	83%	0.825	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	-0.6	-179.1	0	0	0	0	0	115.2	C48	C48-G50 VanDerWaalsContact C-N 3.28Å; C48-G50 PolarHBondContact O-N 2.87Å
51	S	83.9	Confident	88.5	Confident	56 Å²	56	75.9 Å²	75.9	39%	0.392	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	143.4	177	73.2	0	0	0	0	112.1	C48 Q49 S53	C48-S51 PolarHBondContact N-O 3.25Å; C48-S51 PolarHBondContact O-N 3.49Å; C48-S51 VanDerWaalsContact O-O 3.1Å; C48-S51 PolarHBondContact O-OG 3.25Å; Q49-S51 PolarHBondContact O-N 3.1Å; S51-S53 PolarHBondContact O-N 3.24Å
52	K	88.5	Confident	88.7	Confident	109 Å²	109	73.5 Å²	73.5	47%	0.474	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	128.1	176.2	-173.1	170.5	-178.7	166.9	0	110.8	E45 L47 F54	E45-K52 WeakPolarHBondContact OE2-CE 3.38Å; E45-K52 IonicContact OE2-NZ 3.75Å; E45-K52 PolarHBondContact OE2-NZ 2.74Å; L47-K52 HydrophobicContact CD2-CB 4.37Å; K52-F54 HydrophobicContact CD-CZ 4.32Å; K52-F54 HydrophobicContact CG-CE2 4.46Å; K52-F54 HydrophobicContact CG-CZ 4.33Å
53	S	91.9	Very high	88.8	Confident	6 Å²	6	74.2 Å²	74.2	4%	0.042	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	161.2	178.9	-69.5	0	0	0	0	111	F46 S51	F46-S53 PolarHBondContact N-O 3.11Å; F46-S53 PolarHBondContact O-N 2.88Å; S51-S53 PolarHBondContact O-N 3.24Å
54	F	93.4	Very high	88.9	Confident	14 Å²	14	83.7 Å²	83.7	6%	0.061	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	120.9	-176.1	-55.2	-95.4	0	0	0	109.6	I43 Q44 E45 K52 T62 F63 R66 I69	I43-F54 HydrophobicContact CG2-CB 4.32Å; I43-F54 HydrophobicContact CG2-CD1 3.67Å; I43-F54 HydrophobicContact CG2-CG 4.45Å; Q44-F54 CarbonylContact O-C 3.46Å; Q44-F54 VanDerWaalsContact O-CA 3.27Å; Q44-F54 WeakPolarHBondContact O-CA 3.47Å; E45-F54 HydrophobicContact CG-CD1 3.46Å; E45-F54 VanDerWaalsContact CG-CD1 3.46Å; E45-F54 HydrophobicContact CG-CE1 3.46Å; E45-F54 VanDerWaalsContact CG-CE1 3.46Å; K52-F54 HydrophobicContact CD-CZ 4.32Å; K52-F54 HydrophobicContact CG-CE2 4.46Å; K52-F54 HydrophobicContact CG-CZ 4.33Å; F54-T62 CarbonylContact O-C 3.53Å; F54-T62 WeakPolarHBondContact O-CA 3.26Å; F54-F63 PolarHBondContact N-O 3.3Å; F54-F63 PolarHBondContact O-N 2.69Å; F54-R66 HydrophobicContact CD1-CB 4.31Å; F54-R66 HydrophobicContact CD1-CG 4.38Å; F54-R66 HydrophobicContact CE1-CB 3.78Å; F54-R66 HydrophobicContact CE1-CG 3.99Å; F54-R66 HydrophobicContact CE2-CB 4.09Å; F54-R66 VanDerWaalsContact CE2-N 3.31Å; F54-R66 HydrophobicContact CZ-CB 3.68Å; F54-R66 HydrophobicContact CZ-CG 4.38Å; F54-I69 HydrophobicContact CB-CB 4.13Å; F54-I69 HydrophobicContact CB-CD1 3.92Å; F54-I69 HydrophobicContact CB-CG2 3.65Å; F54-I69 HydrophobicContact CD1-CG2 4.42Å; F54-I69 HydrophobicContact CG-CG2 4.09Å
55	K	92.1	Very high	88.8	Confident	88 Å²	88	86.2 Å²	86.2	38%	0.383	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	141.2	179.1	179.5	179.1	179.9	-170.4	0	110.5	Q44 F46 I69	Q44-K55 HydrophobicContact CB-CB 4.3Å; Q44-K55 WeakPolarHBondContact CB-O 3.38Å; Q44-K55 PolarHBondContact N-O 3.44Å; Q44-K55 PolarHBondContact O-N 3.07Å; F46-K55 HydrophobicContact CD1-CB 4.01Å; F46-K55 HydrophobicContact CE1-CB 3.5Å; F46-K55 HydrophobicContact CZ-CB 4.37Å; K55-I69 WeakPolarHBondContact O-CD1 3.45Å
56	C	92.6	Very high	88.9	Confident	1 Å²	1	86.8 Å²	86.8	1%	0.007	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	132.8	172.4	-174.3	0	0	0	0	110	L58 R61 I69 H72 L73 H77	C56-L58 VanDerWaalsContact C-N 3.3Å; C56-L58 PolarHBondContact SG-N 2.64Å; C56-L58 VanDerWaalsContact SG-N 3.39Å; C56-R61 PolarHBondContact N-O 2.85Å; C56-I69 HydrophobicContact CB-CD1 4.39Å; C56-H72 PolarHBondContact SG-NE2 3.11Å; C56-L73 VanDerWaalsContact SG-CD2 3.52Å; C56-H77 PolarHBondContact SG-NE2 2.95Å
57	S	90.9	Very high	89	Confident	47 Å²	47	86.1 Å²	86.1	33%	0.329	44%	0.437	S	S	.	.	S	Bend	trans	-69.2	-29.6	171.7	59.3	0	0	0	0	112.4	D42	D42-S57 VanDerWaalsContact CA-OG 3.22Å; D42-S57 WeakPolarHBondContact CA-OG 3.37Å; D42-S57 VanDerWaalsContact CB-OG 3.22Å; D42-S57 WeakPolarHBondContact CB-OG 3.29Å; D42-S57 VanDerWaalsContact CG-OG 3.24Å; D42-S57 PolarHBondContact O-N 3.32Å; D42-S57 PolarHBondContact O-OG 2.76Å; D42-S57 PolarHBondContact OD1-OG 2.9Å
58	L	91.2	Very high	89.4	Confident	83 Å²	83	83 Å²	83	44%	0.435	42%	0.418	S	S	.	.	S	Bend	trans	-93	-12.8	-171.8	-55.4	179.4	0	0	0	113.9	D42 C56 L73 H77	D42-L58 WeakPolarHBondContact OD2-CD1 3.39Å; C56-L58 VanDerWaalsContact C-N 3.3Å; C56-L58 PolarHBondContact SG-N 2.64Å; C56-L58 VanDerWaalsContact SG-N 3.39Å; L58-L73 HydrophobicContact CD1-CD2 4.31Å; L58-H77 VanDerWaalsContact CB-CE1 3.42Å; L58-H77 WeakPolarHBondContact CB-CE1 3.42Å; L58-H77 HydrophobicContact CD1-CB 3.7Å
59	C	93.2	Very high	90.2	Very high	37 Å²	37	80.6 Å²	80.6	25%	0.25	40%	0.402	C	S	.	.	S	Bend	trans	-151.6	175.9	174.3	77.2	0	0	0	0	112.1	R61 H72	C59-R61 PolarHBondContact O-N 3.45Å; C59-H72 VanDerWaalsContact SG-CE1 3.54Å; C59-H72 PolarHBondContact SG-NE2 2.99Å
60	T	90.4	Very high	90.6	Very high	132 Å²	132	75.4 Å²	75.4	81%	0.81	38%	0.376	S	S	*	.	S	Bend	trans	-78.7	3.1	-175.3	56.4	0	0	0	0	114.6
61	R	93.1	Very high	91	Very high	145 Å²	145	76.4 Å²	76.4	55%	0.547	36%	0.355	S	S	.	.			trans	-78.1	137.5	-173	-67.1	-175.6	172	-164	-2.1	112.8	C56 C59 F63	C56-R61 PolarHBondContact N-O 2.85Å; C59-R61 PolarHBondContact O-N 3.45Å; R61-F63 HydrophobicContact CB-CE2 3.64Å; R61-F63 HydrophobicContact CB-CZ 3.81Å
62	T	92.5	Very high	91.4	Very high	72 Å²	72	74.2 Å²	74.2	44%	0.442	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	142.8	174.9	-60	0	0	0	0	110.3	F46 F54	F46-T62 HydrophobicContact CE1-CG2 3.83Å; F46-T62 HydrophobicContact CZ-CG2 3.59Å; F54-T62 CarbonylContact O-C 3.53Å; F54-T62 WeakPolarHBondContact O-CA 3.26Å
63	F	94.2	Very high	91.4	Very high	39 Å²	39	69 Å²	69	17%	0.171	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.2	-177.4	-56.8	-91.1	0	0	0	110.3	F54 R61 R65 K68 I69 H72	F54-F63 PolarHBondContact N-O 3.3Å; F54-F63 PolarHBondContact O-N 2.69Å; R61-F63 HydrophobicContact CB-CE2 3.64Å; R61-F63 HydrophobicContact CB-CZ 3.81Å; F63-R65 VanDerWaalsContact C-N 3.27Å; F63-R65 PolarHBondContact O-N 3.32Å; F63-K68 HydrophobicContact CB-CB 4.18Å; F63-K68 HydrophobicContact CD1-CB 3.81Å; F63-K68 HydrophobicContact CG-CB 4.29Å; F63-I69 HydrophobicContact CB-CB 4.06Å; F63-I69 HydrophobicContact CD2-CB 3.53Å; F63-I69 HydrophobicContact CD2-CD1 4.13Å; F63-I69 HydrophobicContact CD2-CG1 3.76Å; F63-I69 HydrophobicContact CE2-CB 4.23Å; F63-I69 HydrophobicContact CE2-CG1 4.11Å; F63-I69 HydrophobicContact CG-CB 3.92Å; F63-H72 HydrophobicContact CE1-CB 3.94Å; F63-H72 HydrophobicContact CE2-CB 3.88Å; F63-H72 AromaticContact CE2-CD2 3.45Å; F63-H72 VanDerWaalsContact CE2-CD2 3.45Å; F63-H72 WeakPolarHBondContact CE2-CD2 3.17Å; F63-H72 AromaticContact CE2-CG 3.72Å; F63-H72 HydrophobicContact CZ-CB 3.35Å; F63-H72 AromaticContact CZ-CD2 3.59Å; F63-H72 AromaticContact CZ-CG 3.34Å
64	R	92.1	Very high	91.2	Very high	214 Å²	214	70.6 Å²	70.6	81%	0.808	32%	0.323	S	S	*	.	S	Bend	trans	-75.8	-14.1	176.3	-65.2	-177.3	-179	174.6	-0.5	113.9
65	R	89.7	Confident	91.1	Very high	146 Å²	146	72.9 Å²	72.9	55%	0.551	34%	0.335	S	S	*	.	S	Bend	trans	-132.6	140	-172.5	-71.6	178.5	54.6	150.5	4.6	111.4	F63 D67 K68 I69	F63-R65 VanDerWaalsContact C-N 3.27Å; F63-R65 PolarHBondContact O-N 3.32Å; R65-D67 VanDerWaalsContact C-N 3.34Å; R65-D67 WeakPolarHBondContact CB-OD1 3.4Å; R65-D67 IonicContact CZ-OD1 2.61Å; R65-D67 VanDerWaalsContact CZ-OD1 3.32Å; R65-D67 IonicContact CZ-OD2 2.8Å; R65-D67 IonicContact NE-OD1 2.64Å; R65-D67 PolarHBondContact NE-OD1 3.21Å; R65-D67 IonicContact NE-OD2 3.25Å; R65-D67 IonicContact NH2-OD1 2.69Å; R65-D67 PolarHBondContact NH2-OD1 2.87Å; R65-D67 IonicContact NH2-OD2 3.04Å; R65-D67 PolarHBondContact O-N 3.38Å; R65-K68 HydrophobicContact CB-CB 4.44Å; R65-K68 HydrophobicContact CB-CG 3.91Å; R65-K68 PolarHBondContact O-N 2.93Å; R65-K68 VanDerWaalsContact O-N 3.17Å; R65-I69 PolarHBondContact O-N 2.79Å
66	R	89.4	Confident	90.9	Very high	96 Å²	96	72.3 Å²	72.3	36%	0.362	34%	0.341	S	S	.	.	H	α-helix	trans	-60.9	-39.9	179.8	-168	-171.5	-74.2	-78.7	7.9	112.6	E45 F54 K68 I69 K70	E45-R66 IonicContact OE1-CZ 2.78Å; E45-R66 IonicContact OE1-NH1 3.24Å; E45-R66 PolarHBondContact OE1-NH1 3.24Å; E45-R66 IonicContact OE1-NH2 3.69Å; E45-R66 PolarHBondContact OE1-NH2 3.38Å; E45-R66 IonicContact OE2-NH2 3.24Å; E45-R66 PolarHBondContact OE2-NH2 3.13Å; F54-R66 HydrophobicContact CD1-CB 4.31Å; F54-R66 HydrophobicContact CD1-CG 4.38Å; F54-R66 HydrophobicContact CE1-CB 3.78Å; F54-R66 HydrophobicContact CE1-CG 3.99Å; F54-R66 HydrophobicContact CE2-CB 4.09Å; F54-R66 VanDerWaalsContact CE2-N 3.31Å; F54-R66 HydrophobicContact CZ-CB 3.68Å; F54-R66 HydrophobicContact CZ-CG 4.38Å; R66-K68 PolarHBondContact O-N 2.88Å; R66-I69 WeakPolarHBondContact O-CG2 3.4Å; R66-I69 PolarHBondContact O-N 3.2Å; R66-K70 HydrophobicContact CG-CD 4.33Å; R66-K70 WeakPolarHBondContact O-CB 3.19Å; R66-K70 WeakPolarHBondContact O-CG 3.06Å; R66-K70 PolarHBondContact O-N 3.15Å
67	D	89.6	Confident	90.7	Very high	63 Å²	63	75.4 Å²	75.4	34%	0.337	36%	0.355	S	S	.	.	H	α-helix	trans	-63.6	-32.1	179.2	62.4	-74	0	0	0	112.4	R65 R71	R65-D67 VanDerWaalsContact C-N 3.34Å; R65-D67 WeakPolarHBondContact CB-OD1 3.4Å; R65-D67 IonicContact CZ-OD1 2.61Å; R65-D67 VanDerWaalsContact CZ-OD1 3.32Å; R65-D67 IonicContact CZ-OD2 2.8Å; R65-D67 IonicContact NE-OD1 2.64Å; R65-D67 PolarHBondContact NE-OD1 3.21Å; R65-D67 IonicContact NE-OD2 3.25Å; R65-D67 IonicContact NH2-OD1 2.69Å; R65-D67 PolarHBondContact NH2-OD1 2.87Å; R65-D67 IonicContact NH2-OD2 3.04Å; R65-D67 PolarHBondContact O-N 3.38Å; D67-R71 VanDerWaalsContact O-CB 3.3Å; D67-R71 WeakPolarHBondContact O-CB 3.46Å; D67-R71 PolarHBondContact O-N 2.74Å
68	K	92	Very high	90.6	Very high	69 Å²	69	75.2 Å²	75.2	30%	0.3	35%	0.347	S	S	.	.	H	α-helix	trans	-74.3	-41.4	-178.2	-58.8	-60.7	179.8	-126.3	0	112.4	F63 R65 R66 H72	F63-K68 HydrophobicContact CB-CB 4.18Å; F63-K68 HydrophobicContact CD1-CB 3.81Å; F63-K68 HydrophobicContact CG-CB 4.29Å; R65-K68 HydrophobicContact CB-CB 4.44Å; R65-K68 HydrophobicContact CB-CG 3.91Å; R65-K68 PolarHBondContact O-N 2.93Å; R65-K68 VanDerWaalsContact O-N 3.17Å; R66-K68 PolarHBondContact O-N 2.88Å; K68-H72 WeakPolarHBondContact O-CB 3.34Å; K68-H72 PolarHBondContact O-N 2.79Å
69	I	90.9	Very high	90.2	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-68.9	-42	174.2	-173.6	166.9	0	0	0	111.7	I43 F54 K55 C56 F63 R65 R66 R71 H72 L73	I43-I69 HydrophobicContact CB-CD1 4.39Å; I43-I69 HydrophobicContact CD1-CG2 4.09Å; I43-I69 HydrophobicContact CG1-CD1 4.08Å; I43-I69 HydrophobicContact CG1-CG1 4.09Å; I43-I69 HydrophobicContact CG1-CG2 3.95Å; I43-I69 HydrophobicContact CG2-CD1 4.24Å; I43-I69 HydrophobicContact CG2-CG2 4.08Å; F54-I69 HydrophobicContact CB-CB 4.13Å; F54-I69 HydrophobicContact CB-CD1 3.92Å; F54-I69 HydrophobicContact CB-CG2 3.65Å; F54-I69 HydrophobicContact CD1-CG2 4.42Å; F54-I69 HydrophobicContact CG-CG2 4.09Å; K55-I69 WeakPolarHBondContact O-CD1 3.45Å; C56-I69 HydrophobicContact CB-CD1 4.39Å; F63-I69 HydrophobicContact CB-CB 4.06Å; F63-I69 HydrophobicContact CD2-CB 3.53Å; F63-I69 HydrophobicContact CD2-CD1 4.13Å; F63-I69 HydrophobicContact CD2-CG1 3.76Å; F63-I69 HydrophobicContact CE2-CB 4.23Å; F63-I69 HydrophobicContact CE2-CG1 4.11Å; F63-I69 HydrophobicContact CG-CB 3.92Å; R65-I69 PolarHBondContact O-N 2.79Å; R66-I69 WeakPolarHBondContact O-CG2 3.4Å; R66-I69 PolarHBondContact O-N 3.2Å; I69-R71 VanDerWaalsContact C-N 3.3Å; I69-R71 PolarHBondContact O-N 3.25Å; I69-H72 WeakPolarHBondContact O-CB 3.32Å; I69-H72 PolarHBondContact O-N 3.13Å; I69-H72 VanDerWaalsContact O-N 3.08Å; I69-L73 HydrophobicContact CG1-CD1 4.21Å; I69-L73 HydrophobicContact CG1-CG 4.45Å; I69-L73 PolarHBondContact O-N 2.71Å
70	K	90.6	Very high	89.7	Confident	87 Å²	87	73.1 Å²	73.1	38%	0.378	34%	0.344	S	S	.	.	H	α-helix	trans	-54.8	-49.7	174.5	-80.1	-177.2	174.8	-172	0	110.4	I39 I43 R66 H72 L73 I74	I39-K70 HydrophobicContact CG2-CG 4.17Å; I43-K70 HydrophobicContact CD1-CD 4.4Å; I43-K70 HydrophobicContact CD1-CG 3.44Å; I43-K70 VanDerWaalsContact CD1-CG 3.44Å; R66-K70 HydrophobicContact CG-CD 4.33Å; R66-K70 WeakPolarHBondContact O-CB 3.19Å; R66-K70 WeakPolarHBondContact O-CG 3.06Å; R66-K70 PolarHBondContact O-N 3.15Å; K70-H72 VanDerWaalsContact C-N 3.34Å; K70-H72 PolarHBondContact O-N 3.32Å; K70-L73 PolarHBondContact O-N 3.2Å; K70-I74 WeakPolarHBondContact O-CD1 3.45Å; K70-I74 VanDerWaalsContact O-CG1 3.23Å; K70-I74 WeakPolarHBondContact O-CG1 3.17Å; K70-I74 PolarHBondContact O-N 3Å
71	R	88.8	Confident	89.4	Confident	100 Å²	100	72.4 Å²	72.4	38%	0.377	33%	0.33	S	S	.	.	H	α-helix	trans	-59.3	-43.5	175.9	-178.2	176.5	64.1	174	9.3	112.4	D67 I69 L73 I74 E75	D67-R71 VanDerWaalsContact O-CB 3.3Å; D67-R71 WeakPolarHBondContact O-CB 3.46Å; D67-R71 PolarHBondContact O-N 2.74Å; I69-R71 VanDerWaalsContact C-N 3.3Å; I69-R71 PolarHBondContact O-N 3.25Å; R71-L73 PolarHBondContact O-N 2.77Å; R71-I74 PolarHBondContact O-N 2.83Å; R71-E75 WeakPolarHBondContact CD-OE1 3Å; R71-E75 HydrophobicContact CG-CG 4.18Å; R71-E75 WeakPolarHBondContact CG-OE1 3.24Å; R71-E75 WeakPolarHBondContact O-CB 3.45Å; R71-E75 WeakPolarHBondContact O-CG 3.23Å; R71-E75 PolarHBondContact O-N 3.34Å
72	H	91.7	Very high	89	Confident	10 Å²	10	71 Å²	71	5%	0.046	33%	0.334	C	S	.	.	H	α-helix	trans	-60.6	-43.3	177.2	160.2	62	0	0	0	112.5	C56 C59 F63 K68 I69 K70 E75 C76 H77	C56-H72 PolarHBondContact SG-NE2 3.11Å; C59-H72 VanDerWaalsContact SG-CE1 3.54Å; C59-H72 PolarHBondContact SG-NE2 2.99Å; F63-H72 HydrophobicContact CE1-CB 3.94Å; F63-H72 HydrophobicContact CE2-CB 3.88Å; F63-H72 AromaticContact CE2-CD2 3.45Å; F63-H72 VanDerWaalsContact CE2-CD2 3.45Å; F63-H72 WeakPolarHBondContact CE2-CD2 3.17Å; F63-H72 AromaticContact CE2-CG 3.72Å; F63-H72 HydrophobicContact CZ-CB 3.35Å; F63-H72 AromaticContact CZ-CD2 3.59Å; F63-H72 AromaticContact CZ-CG 3.34Å; K68-H72 WeakPolarHBondContact O-CB 3.34Å; K68-H72 PolarHBondContact O-N 2.79Å; I69-H72 WeakPolarHBondContact O-CB 3.32Å; I69-H72 PolarHBondContact O-N 3.13Å; I69-H72 VanDerWaalsContact O-N 3.08Å; K70-H72 VanDerWaalsContact C-N 3.34Å; K70-H72 PolarHBondContact O-N 3.32Å; H72-E75 PolarHBondContact O-N 2.8Å; H72-C76 PolarHBondContact ND1-SG 3.11Å; H72-C76 VanDerWaalsContact ND1-SG 3.37Å; H72-C76 VanDerWaalsContact O-CB 3.23Å; H72-C76 WeakPolarHBondContact O-CB 3.26Å; H72-C76 PolarHBondContact O-N 3.36Å; H72-H77 AromaticContact CE1-CD2 3.69Å; H72-H77 AromaticContact CE1-NE2 3.42Å; H72-H77 PolarHBondContact CE1-NE2 2.85Å; H72-H77 AromaticContact NE2-CD2 3.49Å; H72-H77 PolarHBondContact NE2-CD2 2.98Å; H72-H77 AromaticContact NE2-NE2 3.22Å; H72-H77 PolarHBondContact NE2-NE2 3.43Å
73	L	89.1	Confident	88.5	Confident	0 Å²	0	71.6 Å²	71.6	0%	0	33%	0.328	C	S	.	.	I	π-helix	trans	-62.2	-47	176.3	-71.2	165.9	0	0	0	111.3	I39 D42 I43 C56 L58 I69 K70 R71 E75 H77 Y78	I39-L73 HydrophobicContact CG2-CB 4.39Å; I39-L73 HydrophobicContact CG2-CD1 4.05Å; I39-L73 WeakPolarHBondContact O-CD1 3.1Å; D42-L73 HydrophobicContact CB-CD1 3.84Å; D42-L73 HydrophobicContact CB-CD2 3.7Å; D42-L73 HydrophobicContact CB-CG 4.45Å; I43-L73 HydrophobicContact CD1-CD1 4.23Å; I43-L73 HydrophobicContact CG1-CD1 3.56Å; C56-L73 VanDerWaalsContact SG-CD2 3.52Å; L58-L73 HydrophobicContact CD1-CD2 4.31Å; I69-L73 HydrophobicContact CG1-CD1 4.21Å; I69-L73 HydrophobicContact CG1-CG 4.45Å; I69-L73 PolarHBondContact O-N 2.71Å; K70-L73 PolarHBondContact O-N 3.2Å; R71-L73 PolarHBondContact O-N 2.77Å; L73-E75 PolarHBondContact O-N 3.14Å; L73-H77 PolarHBondContact O-N 3.42Å; L73-H77 VanDerWaalsContact O-N 3.1Å; L73-Y78 HydrophobicContact CB-CD2 4.17Å; L73-Y78 HydrophobicContact CB-CE2 4.09Å; L73-Y78 VanDerWaalsContact O-CD2 3.29Å; L73-Y78 WeakPolarHBondContact O-CD2 3.16Å; L73-Y78 PolarHBondContact O-N 3.41Å
74	I	88.1	Confident	88	Confident	39 Å²	39	72.8 Å²	72.8	20%	0.2	33%	0.334	C	S	.	.	I	π-helix	trans	-57.7	-48.6	177.1	-69.1	168.2	0	0	0	111	I39 K70 R71 G79 I80	I39-I74 HydrophobicContact CD1-CD1 4.3Å; I39-I74 HydrophobicContact CD1-CG1 3.64Å; I39-I74 HydrophobicContact CG1-CG1 4.48Å; K70-I74 WeakPolarHBondContact O-CD1 3.45Å; K70-I74 VanDerWaalsContact O-CG1 3.23Å; K70-I74 WeakPolarHBondContact O-CG1 3.17Å; K70-I74 PolarHBondContact O-N 3Å; R71-I74 PolarHBondContact O-N 2.83Å; I74-G79 PolarHBondContact O-N 3.19Å; I74-I80 HydrophobicContact CG2-CB 3.83Å; I74-I80 HydrophobicContact CG2-CG2 4.25Å; I74-I80 PolarHBondContact O-N 2.89Å
75	E	90.2	Very high	87.4	Confident	63 Å²	63	62.6 Å²	62.6	29%	0.294	30%	0.296	S	S	.	.	I	π-helix	trans	-79.8	-44.1	-173.4	-71.4	-176.1	-165.5	0	0	113.5	R71 H72 L73 A93 R94	R71-E75 WeakPolarHBondContact CD-OE1 3Å; R71-E75 HydrophobicContact CG-CG 4.18Å; R71-E75 WeakPolarHBondContact CG-OE1 3.24Å; R71-E75 WeakPolarHBondContact O-CB 3.45Å; R71-E75 WeakPolarHBondContact O-CG 3.23Å; R71-E75 PolarHBondContact O-N 3.34Å; H72-E75 PolarHBondContact O-N 2.8Å; L73-E75 PolarHBondContact O-N 3.14Å; E75-A93 HydrophobicContact CG-CB 3.7Å; E75-R94 WeakPolarHBondContact OE1-CD 3.39Å; E75-R94 WeakPolarHBondContact OE1-CG 3.3Å; E75-R94 IonicContact OE1-NE 2.72Å; E75-R94 PolarHBondContact OE1-NE 2.98Å; E75-R94 IonicContact OE2-NE 3.32Å
76	C	88	Confident	86.7	Confident	76 Å²	76	57.8 Å²	57.8	51%	0.514	29%	0.285	S	S	.	.	I	π-helix	trans	-96.4	-34.9	-169.2	-60.6	0	0	0	0	113.6	H72	H72-C76 PolarHBondContact ND1-SG 3.11Å; H72-C76 VanDerWaalsContact ND1-SG 3.37Å; H72-C76 VanDerWaalsContact O-CB 3.23Å; H72-C76 WeakPolarHBondContact O-CB 3.26Å; H72-C76 PolarHBondContact O-N 3.36Å
77	H	89.5	Confident	86.1	Confident	65 Å²	65	54.2 Å²	54.2	30%	0.301	27%	0.273	S	S	.	.	I	π-helix	trans	-103.2	-40.7	-173.2	-69.8	-70	0	0	0	112.4	C56 L58 H72 L73	C56-H77 PolarHBondContact SG-NE2 2.95Å; L58-H77 VanDerWaalsContact CB-CE1 3.42Å; L58-H77 WeakPolarHBondContact CB-CE1 3.42Å; L58-H77 HydrophobicContact CD1-CB 3.7Å; H72-H77 AromaticContact CE1-CD2 3.69Å; H72-H77 AromaticContact CE1-NE2 3.42Å; H72-H77 PolarHBondContact CE1-NE2 2.85Å; H72-H77 AromaticContact NE2-CD2 3.49Å; H72-H77 PolarHBondContact NE2-CD2 2.98Å; H72-H77 AromaticContact NE2-NE2 3.22Å; H72-H77 PolarHBondContact NE2-NE2 3.43Å; L73-H77 PolarHBondContact O-N 3.42Å; L73-H77 VanDerWaalsContact O-N 3.1Å
78	Y	87.5	Confident	85.4	Confident	44 Å²	44	51.3 Å²	51.3	17%	0.173	26%	0.258	C	S	.	.	S	Bend	trans	-97.9	-15.6	-178.3	-61.4	-55.8	0	0	0	114.2	I35 R38 I39 D42 L73 I80	I35-Y78 HydrophobicContact CD1-CD1 4.08Å; I35-Y78 HydrophobicContact CD1-CG 4.1Å; I35-Y78 HydrophobicContact CG1-CG 4.4Å; R38-Y78 WeakPolarHBondContact CB-OH 3.27Å; R38-Y78 WeakPolarHBondContact CG-OH 3.44Å; R38-Y78 VanDerWaalsContact CZ-CE1 3.44Å; R38-Y78 PolarHBondContact NE-OH 3.48Å; R38-Y78 VanDerWaalsContact NE-OH 3.14Å; I39-Y78 HydrophobicContact CB-CE2 4.32Å; I39-Y78 HydrophobicContact CD1-CD2 4.26Å; I39-Y78 HydrophobicContact CD1-CE2 4.48Å; I39-Y78 HydrophobicContact CG1-CD2 3.58Å; I39-Y78 HydrophobicContact CG1-CE2 3.37Å; D42-Y78 PolarHBondContact OD2-OH 2.76Å; L73-Y78 HydrophobicContact CB-CD2 4.17Å; L73-Y78 HydrophobicContact CB-CE2 4.09Å; L73-Y78 VanDerWaalsContact O-CD2 3.29Å; L73-Y78 WeakPolarHBondContact O-CD2 3.16Å; L73-Y78 PolarHBondContact O-N 3.41Å; Y78-I80 HydrophobicContact CG-CD1 4.33Å; Y78-I80 PolarHBondContact O-N 3.48Å; Y78-I80 VanDerWaalsContact O-N 3.1Å
79	G	83.8	Confident	84.9	Confident	46 Å²	46	48.6 Å²	48.6	47%	0.474	25%	0.246	S	C	.	.			trans	56.8	26.5	-179.3	0	0	0	0	0	113.4	I74	I74-G79 PolarHBondContact O-N 3.19Å
80	I	83.1	Confident	84.3	Confident	29 Å²	29	52.8 Å²	52.8	15%	0.149	26%	0.264	C	S	.	.			trans	-71.4	131.4	-176.5	-63.6	165.3	0	0	0	108.7	I35 I39 I74 Y78 D82 A93	I35-I80 HydrophobicContact CD1-CD1 3.55Å; I35-I80 HydrophobicContact CD1-CG1 4.1Å; I35-I80 HydrophobicContact CG1-CD1 3.72Å; I35-I80 HydrophobicContact CG2-CD1 4.11Å; I39-I80 HydrophobicContact CD1-CD1 4.12Å; I74-I80 HydrophobicContact CG2-CB 3.83Å; I74-I80 HydrophobicContact CG2-CG2 4.25Å; I74-I80 PolarHBondContact O-N 2.89Å; Y78-I80 HydrophobicContact CG-CD1 4.33Å; Y78-I80 PolarHBondContact O-N 3.48Å; Y78-I80 VanDerWaalsContact O-N 3.1Å; I80-D82 WeakPolarHBondContact CG2-OD1 3.31Å; I80-A93 VanDerWaalsContact O-CB 3.31Å; I80-A93 WeakPolarHBondContact O-CB 3.49Å
81	K	83.4	Confident	84.1	Confident	117 Å²	117	54.2 Å²	54.2	51%	0.509	27%	0.27	S	S	.	.			trans	-130.1	78.8	-179.3	-61.9	177.7	-176.8	-179.6	0	110.1	Y83 K91 F92 A93	K81-Y83 PolarHBondContact O-N 2.94Å; K81-K91 HydrophobicContact CB-CB 3.61Å; K81-K91 HydrophobicContact CD-CB 3.84Å; K81-K91 HydrophobicContact CG-CB 4.38Å; K81-F92 CarbonylContact C-O 3.39Å; K81-F92 VanDerWaalsContact C-O 3.29Å; K81-F92 WeakPolarHBondContact CA-O 3.49Å; K81-A93 HydrophobicContact CG-CB 4.33Å
82	D	84	Confident	84	Confident	116 Å²	116	51.3 Å²	51.3	62%	0.62	26%	0.26	S	S	*	.			trans	-67.1	-18	-172.9	-66.3	-29.7	0	0	0	114.2	I80 F92	I80-D82 WeakPolarHBondContact CG2-OD1 3.31Å; D82-F92 PolarHBondContact N-O 3.24Å
83	Y	82.7	Confident	83.7	Confident	85 Å²	85	52.1 Å²	52.1	33%	0.333	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	104.8	-175.1	-56.1	-91.6	0	0	0	110	K81 K91 F92 N95 Y98	K81-Y83 PolarHBondContact O-N 2.94Å; Y83-K91 CarbonylContact O-C 3.1Å; Y83-K91 WeakPolarHBondContact O-CA 3.33Å; Y83-F92 PolarHBondContact N-O 3.39Å; Y83-F92 VanDerWaalsContact N-O 3.09Å; Y83-F92 PolarHBondContact O-N 3.32Å; Y83-N95 HydrophobicContact CD1-CB 4.07Å; Y83-N95 HydrophobicContact CE1-CB 3.45Å; Y83-N95 VanDerWaalsContact CE1-CB 3.45Å; Y83-N95 HydrophobicContact CE2-CB 4.16Å; Y83-N95 VanDerWaalsContact CE2-N 3.34Å; Y83-Y98 HydrophobicContact CD1-CG 4.49Å; Y83-Y98 HydrophobicContact CG-CG 4.5Å
84	E	84	Confident	83.5	Confident	63 Å²	63	55.4 Å²	55.4	29%	0.294	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	127.6	176.4	-177.6	178.2	140.3	0	0	110.5	S86 F89 K91 Y98 R236	E84-S86 PolarHBondContact O-N 2.98Å; E84-F89 WeakPolarHBondContact OE1-CD1 3.49Å; E84-K91 HydrophobicContact CB-CG 4.24Å; E84-K91 HydrophobicContact CG-CG 4.18Å; E84-K91 WeakPolarHBondContact OE2-CE 3.39Å; E84-K91 IonicContact OE2-NZ 3.22Å; E84-Y98 WeakPolarHBondContact O-CE2 3.42Å; E84-R236 IonicContact OE1-CZ 3.92Å; E84-R236 IonicContact OE1-NE 2.89Å; E84-R236 IonicContact OE1-NH2 3.47Å; E84-R236 PolarHBondContact OE1-NH2 3.2Å; E84-R236 VanDerWaalsContact OE1-NH2 3.12Å
85	C	79.9	Confident	83.3	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.284	C	S	.	.			trans	-63.3	123.5	170.5	-179.8	0	0	0	0	110.8	L87 C88 F89 K90 Y98 H101 M102 H106	C85-L87 PolarHBondContact O-N 3.43Å; C85-L87 PolarHBondContact SG-N 3.15Å; C85-L87 VanDerWaalsContact SG-N 3.38Å; C85-C88 PolarHBondContact SG-N 3.41Å; C85-F89 WeakPolarHBondContact O-CA 3.42Å; C85-F89 PolarHBondContact O-N 3.28Å; C85-K90 PolarHBondContact N-O 2.98Å; C85-Y98 HydrophobicContact CB-CE2 4.42Å; C85-H101 WeakPolarHBondContact CB-NE2 3.46Å; C85-H101 PolarHBondContact SG-NE2 3.41Å; C85-H101 VanDerWaalsContact SG-NE2 3.37Å; C85-M102 VanDerWaalsContact SG-SD 3.69Å; C85-H106 VanDerWaalsContact SG-CD2 3.59Å; C85-H106 PolarHBondContact SG-NE2 2.94Å
86	S	75.6	Confident	83	Confident	46 Å²	46	58.3 Å²	58.3	32%	0.322	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-19	177.9	56.4	0	0	0	0	113.9	E84 F89 Q232	E84-S86 PolarHBondContact O-N 2.98Å; S86-F89 WeakPolarHBondContact O-CE1 3.38Å; S86-F89 WeakPolarHBondContact O-CZ 3.28Å; S86-Q232 PolarHBondContact O-NE2 2.95Å; S86-Q232 VanDerWaalsContact O-NE2 3.1Å
87	L	74.9	Confident	82.9	Confident	20 Å²	20	57 Å²	57	11%	0.105	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-51.9	-175.8	-60.7	170.1	0	0	0	112.3	C85 F89 M102 H106 V204 F206	C85-L87 PolarHBondContact O-N 3.43Å; C85-L87 PolarHBondContact SG-N 3.15Å; C85-L87 VanDerWaalsContact SG-N 3.38Å; L87-F89 WeakPolarHBondContact O-CE2 3.04Å; L87-M102 HydrophobicContact CD1-CE 4.28Å; L87-H106 HydrophobicContact CD1-CB 3.69Å; L87-H106 VanDerWaalsContact CD1-CG 3.41Å; L87-V204 HydrophobicContact CD1-CG2 4.16Å; L87-F206 HydrophobicContact CD2-CE1 3.92Å; L87-F206 HydrophobicContact CD2-CE2 4.39Å; L87-F206 HydrophobicContact CD2-CZ 3.48Å; L87-F206 VanDerWaalsContact CD2-CZ 3.48Å
88	C	75.5	Confident	82.6	Confident	3 Å²	3	55.4 Å²	55.4	2%	0.02	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.3	-0.1	-179.6	77.2	0	0	0	0	114.3	C85 K90 H101 Y239	C85-C88 PolarHBondContact SG-N 3.41Å; C88-K90 PolarHBondContact O-N 2.94Å; C88-H101 PolarHBondContact SG-CE1 3.37Å; C88-H101 PolarHBondContact SG-NE2 3.25Å; C88-Y239 HydrophobicContact CB-CD2 4.38Å; C88-Y239 HydrophobicContact CB-CE2 3.8Å; C88-Y239 WeakPolarHBondContact O-CD1 3.48Å; C88-Y239 WeakPolarHBondContact O-CE1 3.33Å
89	F	81.7	Confident	82.2	Confident	12 Å²	12	55.9 Å²	55.9	5%	0.053	28%	0.279	C	S	.	.			trans	60.3	10.5	175.9	-46.6	-75.4	0	0	0	115.8	E84 C85 S86 L87 Q232 L235 R236 Y239	E84-F89 WeakPolarHBondContact OE1-CD1 3.49Å; C85-F89 WeakPolarHBondContact O-CA 3.42Å; C85-F89 PolarHBondContact O-N 3.28Å; S86-F89 WeakPolarHBondContact O-CE1 3.38Å; S86-F89 WeakPolarHBondContact O-CZ 3.28Å; L87-F89 WeakPolarHBondContact O-CE2 3.04Å; F89-Q232 HydrophobicContact CE1-CG 4.06Å; F89-Q232 HydrophobicContact CZ-CG 3.82Å; F89-L235 HydrophobicContact CE2-CD2 4.2Å; F89-L235 HydrophobicContact CE2-CG 3.97Å; F89-L235 HydrophobicContact CZ-CD2 4.41Å; F89-L235 HydrophobicContact CZ-CG 4.45Å; F89-R236 HydrophobicContact CB-CG 4.35Å; F89-R236 HydrophobicContact CD1-CB 4.11Å; F89-R236 HydrophobicContact CD1-CG 3.91Å; F89-R236 HydrophobicContact CD2-CB 3.9Å; F89-R236 HydrophobicContact CD2-CG 4Å; F89-R236 HydrophobicContact CE1-CB 3.91Å; F89-R236 HydrophobicContact CE1-CG 4.21Å; F89-R236 HydrophobicContact CE2-CB 3.73Å; F89-R236 HydrophobicContact CE2-CG 4.33Å; F89-R236 HydrophobicContact CG-CB 4.09Å; F89-R236 HydrophobicContact CG-CG 3.78Å; F89-R236 HydrophobicContact CZ-CB 3.72Å; F89-R236 HydrophobicContact CZ-CG 4.42Å; F89-Y239 HydrophobicContact CD2-CG 4.43Å
90	K	79.3	Confident	82	Confident	88 Å²	88	57.5 Å²	57.5	38%	0.383	27%	0.271	S	S	.	.			trans	-64.4	136	170	-72.3	-175.3	-173.7	-63.3	0	109.9	C85 C88 F92 Y239 D244	C85-K90 PolarHBondContact N-O 2.98Å; C88-K90 PolarHBondContact O-N 2.94Å; K90-F92 HydrophobicContact CB-CE2 3.82Å; K90-F92 HydrophobicContact CB-CZ 3.88Å; K90-F92 WeakPolarHBondContact O-CE2 3.42Å; K90-Y239 WeakPolarHBondContact CE-OH 3.32Å; K90-Y239 PolarHBondContact NZ-OH 3.25Å; K90-D244 IonicContact NZ-OD1 3.83Å
91	K	86.4	Confident	81.9	Confident	117 Å²	117	56.9 Å²	56.9	51%	0.509	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	140.1	-179.2	-56.8	-169.8	175	-162.9	0	111.8	K81 Y83 E84	K81-K91 HydrophobicContact CB-CB 3.61Å; K81-K91 HydrophobicContact CD-CB 3.84Å; K81-K91 HydrophobicContact CG-CB 4.38Å; Y83-K91 CarbonylContact O-C 3.1Å; Y83-K91 WeakPolarHBondContact O-CA 3.33Å; E84-K91 HydrophobicContact CB-CG 4.24Å; E84-K91 HydrophobicContact CG-CG 4.18Å; E84-K91 WeakPolarHBondContact OE2-CE 3.39Å; E84-K91 IonicContact OE2-NZ 3.22Å
92	F	85.6	Confident	81.4	Confident	38 Å²	38	52.4 Å²	52.4	17%	0.167	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	140.8	-179.4	-54.6	-90.9	0	0	0	109.9	K81 D82 Y83 K90 R94 H97 Y98 H101	K81-F92 CarbonylContact C-O 3.39Å; K81-F92 VanDerWaalsContact C-O 3.29Å; K81-F92 WeakPolarHBondContact CA-O 3.49Å; D82-F92 PolarHBondContact N-O 3.24Å; Y83-F92 PolarHBondContact N-O 3.39Å; Y83-F92 VanDerWaalsContact N-O 3.09Å; Y83-F92 PolarHBondContact O-N 3.32Å; K90-F92 HydrophobicContact CB-CE2 3.82Å; K90-F92 HydrophobicContact CB-CZ 3.88Å; K90-F92 WeakPolarHBondContact O-CE2 3.42Å; F92-R94 VanDerWaalsContact C-N 3.3Å; F92-H97 HydrophobicContact CB-CB 4.32Å; F92-H97 HydrophobicContact CD1-CB 3.98Å; F92-H97 HydrophobicContact CG-CB 4.48Å; F92-Y98 AromaticContact CD2-CD2 3.95Å; F92-Y98 HydrophobicContact CD2-CD2 3.95Å; F92-Y98 HydrophobicContact CD2-CG 4.49Å; F92-Y98 HydrophobicContact CE2-CD2 4.41Å; F92-H101 HydrophobicContact CE1-CB 3.74Å; F92-H101 HydrophobicContact CE2-CB 3.88Å; F92-H101 AromaticContact CE2-CD2 3.37Å; F92-H101 WeakPolarHBondContact CE2-CD2 3.43Å; F92-H101 AromaticContact CE2-CG 3.6Å; F92-H101 HydrophobicContact CZ-CB 3.32Å; F92-H101 AromaticContact CZ-CD2 3.46Å; F92-H101 VanDerWaalsContact CZ-CD2 3.46Å; F92-H101 WeakPolarHBondContact CZ-CD2 3.4Å; F92-H101 AromaticContact CZ-CG 3.17Å; F92-H101 AromaticContact CZ-ND1 3.74Å
93	A	85.4	Confident	80.8	Confident	28 Å²	28	50.5 Å²	50.5	23%	0.231	24%	0.238	C	C	.	.	S	Bend	trans	-78.5	-16.1	174.4	0	0	0	0	0	113.3	E75 I80 K81	E75-A93 HydrophobicContact CG-CB 3.7Å; I80-A93 VanDerWaalsContact O-CB 3.31Å; I80-A93 WeakPolarHBondContact O-CB 3.49Å; K81-A93 HydrophobicContact CG-CB 4.33Å
94	R	85.7	Confident	80.3	Confident	69 Å²	69	48.5 Å²	48.5	26%	0.26	23%	0.233	S	C	.	.			trans	-127.2	138.7	-177.6	-67.2	-168.6	-108.1	151.4	0.2	111.9	E75 F92 E96 H97 Y98	E75-R94 WeakPolarHBondContact OE1-CD 3.39Å; E75-R94 WeakPolarHBondContact OE1-CG 3.3Å; E75-R94 IonicContact OE1-NE 2.72Å; E75-R94 PolarHBondContact OE1-NE 2.98Å; E75-R94 IonicContact OE2-NE 3.32Å; F92-R94 VanDerWaalsContact C-N 3.3Å; R94-E96 VanDerWaalsContact C-N 3.33Å; R94-E96 IonicContact NH1-OE2 2.98Å; R94-E96 PolarHBondContact O-N 2.97Å; R94-H97 HydrophobicContact CB-CB 4.2Å; R94-H97 PolarHBondContact NH1-NE2 3.22Å; R94-H97 PolarHBondContact NH2-CE1 2.88Å; R94-H97 PolarHBondContact NH2-NE2 2.9Å; R94-H97 PolarHBondContact O-N 3.31Å; R94-H97 VanDerWaalsContact O-N 3.16Å; R94-Y98 PolarHBondContact O-N 3.17Å
95	N	84.1	Confident	79.7	Confident	48 Å²	48	49.3 Å²	49.3	26%	0.257	24%	0.242	S	C	.	.	H	α-helix	trans	-56.4	-46.2	171.5	-165.1	-10.5	0	0	0	111.7	Y83 H97 Y98 N99	Y83-N95 HydrophobicContact CD1-CB 4.07Å; Y83-N95 HydrophobicContact CE1-CB 3.45Å; Y83-N95 VanDerWaalsContact CE1-CB 3.45Å; Y83-N95 HydrophobicContact CE2-CB 4.16Å; Y83-N95 VanDerWaalsContact CE2-N 3.34Å; N95-H97 PolarHBondContact O-N 3.07Å; N95-Y98 CarbonylContact O-C 3.48Å; N95-Y98 WeakPolarHBondContact O-CA 3.5Å; N95-Y98 WeakPolarHBondContact O-CB 3.46Å; N95-Y98 PolarHBondContact O-N 3.2Å; N95-N99 PolarHBondContact O-N 2.86Å; N95-N99 PolarHBondContact OD1-ND2 3.23Å; N95-N99 PolarHBondContact OD1-OD1 2.97Å
96	E	83	Confident	79.2	Confident	115 Å²	115	50.8 Å²	50.8	54%	0.537	25%	0.249	S	C	.	.	H	α-helix	trans	-54.3	-41.4	177.8	-172.6	-156.4	146.1	0	0	112.2	R94 R100	R94-E96 VanDerWaalsContact C-N 3.33Å; R94-E96 IonicContact NH1-OE2 2.98Å; R94-E96 PolarHBondContact O-N 2.97Å; E96-R100 VanDerWaalsContact O-CB 3.24Å; E96-R100 WeakPolarHBondContact O-CB 3.34Å; E96-R100 PolarHBondContact O-N 3.46Å; E96-R100 IonicContact OE1-NH1 2.85Å
97	H	85.1	Confident	78.7	Confident	48 Å²	48	50.1 Å²	50.1	22%	0.222	24%	0.244	C	C	.	.	H	α-helix	trans	-72.9	-37.2	179.1	-71.2	-164.1	0	0	0	112.3	F92 R94 N95 R100 H101	F92-H97 HydrophobicContact CB-CB 4.32Å; F92-H97 HydrophobicContact CD1-CB 3.98Å; F92-H97 HydrophobicContact CG-CB 4.48Å; R94-H97 HydrophobicContact CB-CB 4.2Å; R94-H97 PolarHBondContact NH1-NE2 3.22Å; R94-H97 PolarHBondContact NH2-CE1 2.88Å; R94-H97 PolarHBondContact NH2-NE2 2.9Å; R94-H97 PolarHBondContact O-N 3.31Å; R94-H97 VanDerWaalsContact O-N 3.16Å; N95-H97 PolarHBondContact O-N 3.07Å; H97-R100 PolarHBondContact CD2-NH2 2.91Å; H97-R100 PolarHBondContact NE2-NH2 3.29Å; H97-R100 VanDerWaalsContact NE2-NH2 3.11Å; H97-H101 VanDerWaalsContact O-CB 3.32Å; H97-H101 WeakPolarHBondContact O-CB 3.34Å; H97-H101 PolarHBondContact O-N 3.16Å
98	Y	83.7	Confident	77.5	Confident	32 Å²	32	57.3 Å²	57.3	13%	0.125	28%	0.282	C	S	.	.	H	α-helix	trans	-63.5	-50.4	173.4	167.8	-93.5	0	0	0	111.8	Y83 E84 C85 F92 R94 N95 R100 H101 M102	Y83-Y98 HydrophobicContact CD1-CG 4.49Å; Y83-Y98 HydrophobicContact CG-CG 4.5Å; E84-Y98 WeakPolarHBondContact O-CE2 3.42Å; C85-Y98 HydrophobicContact CB-CE2 4.42Å; F92-Y98 AromaticContact CD2-CD2 3.95Å; F92-Y98 HydrophobicContact CD2-CD2 3.95Å; F92-Y98 HydrophobicContact CD2-CG 4.49Å; F92-Y98 HydrophobicContact CE2-CD2 4.41Å; R94-Y98 PolarHBondContact O-N 3.17Å; N95-Y98 CarbonylContact O-C 3.48Å; N95-Y98 WeakPolarHBondContact O-CA 3.5Å; N95-Y98 WeakPolarHBondContact O-CB 3.46Å; N95-Y98 PolarHBondContact O-N 3.2Å; Y98-R100 VanDerWaalsContact C-N 3.33Å; Y98-R100 PolarHBondContact O-N 3.41Å; Y98-H101 CarbonylContact O-C 3.58Å; Y98-H101 WeakPolarHBondContact O-CA 3.37Å; Y98-H101 WeakPolarHBondContact O-CB 3.33Å; Y98-H101 PolarHBondContact O-N 3.09Å; Y98-M102 HydrophobicContact CD1-CG 4.39Å; Y98-M102 HydrophobicContact CE1-CG 3.91Å; Y98-M102 HydrophobicContact CE2-CG 4.18Å; Y98-M102 HydrophobicContact CE2-SD 4.31Å; Y98-M102 WeakPolarHBondContact O-CG 3.41Å; Y98-M102 PolarHBondContact O-N 2.75Å
99	N	79.9	Confident	76.5	Confident	54 Å²	54	60.8 Å²	60.8	29%	0.289	30%	0.303	S	S	.	.	H	α-helix	trans	-61.6	-43.4	177.8	-72.8	-18.4	0	0	0	111.3	N95 H101 M102 N103	N95-N99 PolarHBondContact O-N 2.86Å; N95-N99 PolarHBondContact OD1-ND2 3.23Å; N95-N99 PolarHBondContact OD1-OD1 2.97Å; N99-H101 VanDerWaalsContact C-N 3.28Å; N99-H101 PolarHBondContact O-N 3.21Å; N99-M102 PolarHBondContact O-N 2.91Å; N99-N103 PolarHBondContact O-N 2.83Å; N99-N103 PolarHBondContact O-ND2 3.31Å
100	R	79.1	Confident	75.1	Confident	80 Å²	80	64.8 Å²	64.8	30%	0.302	32%	0.32	S	S	.	.	H	α-helix	trans	-59	-42	172.9	-177.7	172.5	66.3	-134.1	1.2	111.5	E96 H97 Y98 N103 D104	E96-R100 VanDerWaalsContact O-CB 3.24Å; E96-R100 WeakPolarHBondContact O-CB 3.34Å; E96-R100 PolarHBondContact O-N 3.46Å; E96-R100 IonicContact OE1-NH1 2.85Å; H97-R100 PolarHBondContact CD2-NH2 2.91Å; H97-R100 PolarHBondContact NE2-NH2 3.29Å; H97-R100 VanDerWaalsContact NE2-NH2 3.11Å; Y98-R100 VanDerWaalsContact C-N 3.33Å; Y98-R100 PolarHBondContact O-N 3.41Å; R100-N103 PolarHBondContact O-N 3.04Å; R100-D104 WeakPolarHBondContact CG-OD2 3.35Å; R100-D104 VanDerWaalsContact O-CB 3.28Å; R100-D104 WeakPolarHBondContact O-CB 3.31Å; R100-D104 VanDerWaalsContact O-CG 3.23Å; R100-D104 PolarHBondContact O-N 2.85Å
101	H	80.5	Confident	74.5	Confident	15 Å²	15	61.6 Å²	61.6	7%	0.069	31%	0.313	C	S	.	.	H	α-helix	trans	-63.1	-44.3	175.5	160.7	68.7	0	0	0	112.5	C85 C88 F92 H97 Y98 N99 N103 D104 V105 H106	C85-H101 WeakPolarHBondContact CB-NE2 3.46Å; C85-H101 PolarHBondContact SG-NE2 3.41Å; C85-H101 VanDerWaalsContact SG-NE2 3.37Å; C88-H101 PolarHBondContact SG-CE1 3.37Å; C88-H101 PolarHBondContact SG-NE2 3.25Å; F92-H101 HydrophobicContact CE1-CB 3.74Å; F92-H101 HydrophobicContact CE2-CB 3.88Å; F92-H101 AromaticContact CE2-CD2 3.37Å; F92-H101 WeakPolarHBondContact CE2-CD2 3.43Å; F92-H101 AromaticContact CE2-CG 3.6Å; F92-H101 HydrophobicContact CZ-CB 3.32Å; F92-H101 AromaticContact CZ-CD2 3.46Å; F92-H101 VanDerWaalsContact CZ-CD2 3.46Å; F92-H101 WeakPolarHBondContact CZ-CD2 3.4Å; F92-H101 AromaticContact CZ-CG 3.17Å; F92-H101 AromaticContact CZ-ND1 3.74Å; H97-H101 VanDerWaalsContact O-CB 3.32Å; H97-H101 WeakPolarHBondContact O-CB 3.34Å; H97-H101 PolarHBondContact O-N 3.16Å; Y98-H101 CarbonylContact O-C 3.58Å; Y98-H101 WeakPolarHBondContact O-CA 3.37Å; Y98-H101 WeakPolarHBondContact O-CB 3.33Å; Y98-H101 PolarHBondContact O-N 3.09Å; N99-H101 VanDerWaalsContact C-N 3.28Å; N99-H101 PolarHBondContact O-N 3.21Å; H101-N103 VanDerWaalsContact C-N 3.26Å; H101-N103 PolarHBondContact O-N 2.68Å; H101-D104 PolarHBondContact O-N 2.72Å; H101-V105 WeakPolarHBondContact ND1-CG2 3.38Å; H101-V105 WeakPolarHBondContact O-CB 3.43Å; H101-V105 PolarHBondContact O-N 3.26Å; H101-H106 AromaticContact CE1-CD2 3.92Å; H101-H106 AromaticContact CE1-NE2 3.56Å; H101-H106 AromaticContact NE2-CD2 3.57Å; H101-H106 AromaticContact NE2-NE2 3.32Å; H101-H106 PolarHBondContact NE2-NE2 3.04Å
102	M	73.9	Confident	73.4	Confident	24 Å²	24	59.9 Å²	59.9	12%	0.118	30%	0.304	C	S	.	.	I	π-helix	trans	-58.4	-41.7	175.9	-67.6	-63.5	-81.3	0	0	110.7	C85 L87 Y98 N99 H106 S107	C85-M102 VanDerWaalsContact SG-SD 3.69Å; L87-M102 HydrophobicContact CD1-CE 4.28Å; Y98-M102 HydrophobicContact CD1-CG 4.39Å; Y98-M102 HydrophobicContact CE1-CG 3.91Å; Y98-M102 HydrophobicContact CE2-CG 4.18Å; Y98-M102 HydrophobicContact CE2-SD 4.31Å; Y98-M102 WeakPolarHBondContact O-CG 3.41Å; Y98-M102 PolarHBondContact O-N 2.75Å; N99-M102 PolarHBondContact O-N 2.91Å; M102-H106 CarbonylContact O-C 3.49Å; M102-H106 WeakPolarHBondContact O-CA 3.41Å; M102-H106 WeakPolarHBondContact O-CB 3.23Å; M102-H106 PolarHBondContact O-N 3.16Å; M102-S107 PolarHBondContact O-N 3.34Å
103	N	71.9	Confident	72.1	Confident	75 Å²	75	59.8 Å²	59.8	40%	0.401	30%	0.304	S	S	.	.	I	π-helix	trans	-73.8	-36.9	177.9	-65.4	-21.3	0	0	0	113.8	N99 R100 H101 S107	N99-N103 PolarHBondContact O-N 2.83Å; N99-N103 PolarHBondContact O-ND2 3.31Å; R100-N103 PolarHBondContact O-N 3.04Å; H101-N103 VanDerWaalsContact C-N 3.26Å; H101-N103 PolarHBondContact O-N 2.68Å; N103-S107 WeakPolarHBondContact CA-OG 3.48Å; N103-S107 PolarHBondContact O-OG 2.8Å
104	D	71.7	Confident	71.1	Confident	44 Å²	44	58.5 Å²	58.5	24%	0.235	29%	0.293	C	S	.	.	I	π-helix	trans	-80.2	-25.4	-175.5	-73.7	-4.5	0	0	0	112.4	R100 H101 R123	R100-D104 WeakPolarHBondContact CG-OD2 3.35Å; R100-D104 VanDerWaalsContact O-CB 3.28Å; R100-D104 WeakPolarHBondContact O-CB 3.31Å; R100-D104 VanDerWaalsContact O-CG 3.23Å; R100-D104 PolarHBondContact O-N 2.85Å; H101-D104 PolarHBondContact O-N 2.72Å; D104-R123 IonicContact OD2-CZ 3.96Å; D104-R123 IonicContact OD2-NE 3.84Å; D104-R123 PolarHBondContact OD2-NE 3.09Å; D104-R123 IonicContact OD2-NH2 3.41Å; D104-R123 PolarHBondContact OD2-NH2 3.38Å
105	V	70.7	Confident	69.8	Low	79 Å²	79	61.2 Å²	61.2	48%	0.479	30%	0.304	S	S	.	.	I	π-helix	trans	-118	-35.6	-169.8	-176.9	0	0	0	0	113.2	H101	H101-V105 WeakPolarHBondContact ND1-CG2 3.38Å; H101-V105 WeakPolarHBondContact O-CB 3.43Å; H101-V105 PolarHBondContact O-N 3.26Å
106	H	69.1	Low	69.2	Low	31 Å²	31	62.4 Å²	62.4	14%	0.144	31%	0.309	C	S	.	.	I	π-helix	trans	-112.3	-29.2	-170.7	-63.7	-57.6	0	0	0	114	C85 L87 H101 M102	C85-H106 VanDerWaalsContact SG-CD2 3.59Å; C85-H106 PolarHBondContact SG-NE2 2.94Å; L87-H106 HydrophobicContact CD1-CB 3.69Å; L87-H106 VanDerWaalsContact CD1-CG 3.41Å; H101-H106 AromaticContact CE1-CD2 3.92Å; H101-H106 AromaticContact CE1-NE2 3.56Å; H101-H106 AromaticContact NE2-CD2 3.57Å; H101-H106 AromaticContact NE2-NE2 3.32Å; H101-H106 PolarHBondContact NE2-NE2 3.04Å; M102-H106 CarbonylContact O-C 3.49Å; M102-H106 WeakPolarHBondContact O-CA 3.41Å; M102-H106 WeakPolarHBondContact O-CB 3.23Å; M102-H106 PolarHBondContact O-N 3.16Å
107	S	65.4	Low	68.7	Low	32 Å²	32	59.2 Å²	59.2	22%	0.224	30%	0.299	C	S	.	.			trans	-74.9	149.7	176.3	82.7	0	0	0	0	110.7	M102 N103 T109	M102-S107 PolarHBondContact O-N 3.34Å; N103-S107 WeakPolarHBondContact CA-OG 3.48Å; N103-S107 PolarHBondContact O-OG 2.8Å; S107-T109 PolarHBondContact O-N 2.78Å; S107-T109 WeakPolarHBondContact OG-CB 3.5Å; S107-T109 PolarHBondContact OG-N 2.93Å; S107-T109 PolarHBondContact OG-OG1 3.41Å
108	L	50.6	Low	67.8	Low	172 Å²	172	63.3 Å²	63.3	90%	0.901	32%	0.323	S	S	*	.			trans	-82.8	15.7	167.7	-60.3	174.5	0	0	0	111.5	K110	L108-K110 PolarHBondContact O-N 2.98Å
109	T	53.8	Low	67	Low	75 Å²	75	69.5 Å²	69.5	46%	0.46	35%	0.346	S	S	.	.			trans	-65.9	103.3	178.4	60	0	0	0	0	107.8	S107 G111	S107-T109 PolarHBondContact O-N 2.78Å; S107-T109 WeakPolarHBondContact OG-CB 3.5Å; S107-T109 PolarHBondContact OG-N 2.93Å; S107-T109 PolarHBondContact OG-OG1 3.41Å; T109-G111 PolarHBondContact O-N 3.22Å; T109-G111 VanDerWaalsContact O-N 3.12Å
110	K	52.7	Low	66.6	Low	96 Å²	96	74.2 Å²	74.2	42%	0.417	36%	0.36	S	S	.	.			trans	-62.9	114.6	175.2	-74.9	172.7	173.3	-177.4	0	106.5	L108 N151 E152	L108-K110 PolarHBondContact O-N 2.98Å; K110-N151 PolarHBondContact O-OD1 3.14Å; K110-E152 HydrophobicContact CD-CB 3.65Å; K110-E152 WeakPolarHBondContact CD-OE2 3.24Å; K110-E152 PolarHBondContact NZ-O 3.5Å; K110-E152 IonicContact NZ-OE2 3.57Å; K110-E152 PolarHBondContact NZ-OE2 3.29Å
111	G	66.2	Low	66	Low	22 Å²	22	72 Å²	72	23%	0.227	35%	0.352	C	S	.	.			trans	-55	179.6	-177	0	0	0	0	0	114.6	T109 F121	T109-G111 PolarHBondContact O-N 3.22Å; T109-G111 VanDerWaalsContact O-N 3.12Å; G111-F121 CarbonylContact C-O 3.58Å; G111-F121 VanDerWaalsContact C-O 3.31Å; G111-F121 VanDerWaalsContact CA-O 3.27Å; G111-F121 WeakPolarHBondContact CA-O 3.35Å
112	Y	63.3	Low	65.5	Low	80 Å²	80	78.5 Å²	78.5	31%	0.314	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	133.3	-173	-54.7	-99.6	0	0	0	111.3	R120 F121 D124 F127 L149	Y112-R120 CarbonylContact O-C 3.31Å; Y112-R120 VanDerWaalsContact O-CA 3.32Å; Y112-R120 WeakPolarHBondContact O-CA 3.43Å; Y112-F121 PolarHBondContact N-O 2.87Å; Y112-F121 PolarHBondContact O-N 3.26Å; Y112-D124 HydrophobicContact CD1-CB 4.24Å; Y112-D124 VanDerWaalsContact CD2-N 3.33Å; Y112-D124 HydrophobicContact CE1-CB 3.56Å; Y112-D124 HydrophobicContact CE2-CB 4.05Å; Y112-D124 VanDerWaalsContact CZ-CB 3.49Å; Y112-F127 HydrophobicContact CD1-CD1 4.13Å; Y112-F127 HydrophobicContact CG-CB 4.09Å; Y112-F127 HydrophobicContact CG-CD1 4.41Å; Y112-F127 HydrophobicContact CG-CG 4.41Å; Y112-L149 HydrophobicContact CD1-CD2 3.58Å; Y112-L149 HydrophobicContact CE1-CD2 3.53Å
113	H	59.4	Low	65.2	Low	36 Å²	36	81.7 Å²	81.7	17%	0.167	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	130.3	179.9	72.3	-40	0	0	0	111.3	R115 L148	H113-R115 PolarHBondContact NE2-NE 2.77Å; H113-L148 PolarHBondContact CE1-O 3.38Å; H113-L148 VanDerWaalsContact CE1-O 3.28Å
114	C	62.6	Low	64.9	Low	1 Å²	1	81.4 Å²	81.4	1%	0.007	39%	0.39	C	S	.	.			trans	-85.5	116.6	168.9	-178	0	0	0	0	109.6	L116 C117 N118 R119 F121 F127 H130	C114-L116 VanDerWaalsContact C-N 3.29Å; C114-L116 PolarHBondContact O-N 2.78Å; C114-L116 PolarHBondContact SG-N 3Å; C114-L116 VanDerWaalsContact SG-N 3.43Å; C114-C117 VanDerWaalsContact SG-SG 3.64Å; C114-N118 WeakPolarHBondContact O-CA 3.43Å; C114-N118 PolarHBondContact O-N 2.77Å; C114-R119 PolarHBondContact N-O 2.97Å; C114-F121 HydrophobicContact CB-CE2 4.17Å; C114-F127 HydrophobicContact CB-CD2 4.37Å; C114-F127 HydrophobicContact CB-CE2 3.8Å; C114-H130 VanDerWaalsContact CB-NE2 3.35Å; C114-H130 WeakPolarHBondContact CB-NE2 3.39Å; C114-H130 PolarHBondContact SG-NE2 3.43Å
115	R	60.5	Low	64.9	Low	127 Å²	127	83.1 Å²	83.1	48%	0.479	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-18	174.7	-67	-164.8	-167.5	172.4	2.5	114.1	H113 L148	H113-R115 PolarHBondContact NE2-NE 2.77Å; R115-L148 HydrophobicContact CB-CD1 4.02Å; R115-L148 HydrophobicContact CB-CD2 4.39Å; R115-L148 HydrophobicContact CG-CD1 4.06Å; R115-L148 HydrophobicContact CG-CD2 3.69Å
116	L	69.5	Low	65.1	Low	73 Å²	73	82.5 Å²	82.5	38%	0.382	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-32.2	-179.7	-56.9	171.3	0	0	0	112.1	C114 H135 F142	C114-L116 VanDerWaalsContact C-N 3.29Å; C114-L116 PolarHBondContact O-N 2.78Å; C114-L116 PolarHBondContact SG-N 3Å; C114-L116 VanDerWaalsContact SG-N 3.43Å; L116-H135 HydrophobicContact CD1-CB 3.78Å; L116-H135 VanDerWaalsContact CD1-CG 3.41Å; L116-F142 HydrophobicContact CD1-CE2 4.06Å; L116-F142 HydrophobicContact CD1-CZ 4.47Å
117	C	72.6	Confident	65.1	Low	48 Å²	48	81.6 Å²	81.6	32%	0.324	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.1	5.7	179.9	71.2	0	0	0	0	114.5	C114 R119 H130	C114-C117 VanDerWaalsContact SG-SG 3.64Å; C117-R119 PolarHBondContact O-N 3.26Å; C117-R119 VanDerWaalsContact O-N 3.08Å; C117-R119 VanDerWaalsContact SG-CG 3.6Å; C117-H130 PolarHBondContact SG-CE1 2.73Å; C117-H130 PolarHBondContact SG-NE2 3.47Å
118	N	66.6	Low	65.4	Low	134 Å²	134	82.1 Å²	82.1	72%	0.717	40%	0.396	S	S	*	.			trans	57.5	16.9	-179.1	-62.2	-36.5	0	0	0	115.8	C114	C114-N118 WeakPolarHBondContact O-CA 3.43Å; C114-N118 PolarHBondContact O-N 2.77Å
119	R	68	Low	66.7	Low	162 Å²	162	79.8 Å²	79.8	61%	0.611	38%	0.38	S	S	*	.			trans	-74.2	142	174.2	-71.9	-176.7	178.5	-164.7	0.7	111.5	C114 C117 F121	C114-R119 PolarHBondContact N-O 2.97Å; C117-R119 PolarHBondContact O-N 3.26Å; C117-R119 VanDerWaalsContact O-N 3.08Å; C117-R119 VanDerWaalsContact SG-CG 3.6Å; R119-F121 HydrophobicContact CB-CE2 3.72Å; R119-F121 HydrophobicContact CB-CZ 3.71Å
120	R	71.5	Confident	67.9	Low	153 Å²	153	76.9 Å²	76.9	58%	0.577	36%	0.361	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.3	176.5	-57.1	-177.7	78	136.6	8.1	110.3	Y112	Y112-R120 CarbonylContact O-C 3.31Å; Y112-R120 VanDerWaalsContact O-CA 3.32Å; Y112-R120 WeakPolarHBondContact O-CA 3.43Å
121	F	65.5	Low	68.7	Low	34 Å²	34	72.9 Å²	72.9	15%	0.149	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142	-178.6	-56.4	-87.2	0	0	0	108.6	G111 Y112 C114 R119 R123 E126 F127 H130	G111-F121 CarbonylContact C-O 3.58Å; G111-F121 VanDerWaalsContact C-O 3.31Å; G111-F121 VanDerWaalsContact CA-O 3.27Å; G111-F121 WeakPolarHBondContact CA-O 3.35Å; Y112-F121 PolarHBondContact N-O 2.87Å; Y112-F121 PolarHBondContact O-N 3.26Å; C114-F121 HydrophobicContact CB-CE2 4.17Å; R119-F121 HydrophobicContact CB-CE2 3.72Å; R119-F121 HydrophobicContact CB-CZ 3.71Å; F121-R123 VanDerWaalsContact C-N 3.31Å; F121-E126 HydrophobicContact CB-CB 4.07Å; F121-E126 HydrophobicContact CD1-CB 3.89Å; F121-E126 HydrophobicContact CG-CB 4.35Å; F121-F127 HydrophobicContact CB-CB 4.01Å; F121-F127 HydrophobicContact CD2-CB 3.93Å; F121-F127 AromaticContact CD2-CD2 3.65Å; F121-F127 HydrophobicContact CD2-CD2 3.65Å; F121-F127 HydrophobicContact CD2-CG 4.26Å; F121-F127 AromaticContact CE2-CD2 3.94Å; F121-F127 HydrophobicContact CE2-CD2 3.94Å; F121-F127 HydrophobicContact CG-CB 4.03Å; F121-H130 HydrophobicContact CE1-CB 3.66Å; F121-H130 AromaticContact CE1-CG 3.98Å; F121-H130 HydrophobicContact CE2-CB 4.01Å; F121-H130 AromaticContact CE2-CD2 3.41Å; F121-H130 VanDerWaalsContact CE2-CD2 3.41Å; F121-H130 WeakPolarHBondContact CE2-CD2 3.37Å; F121-H130 AromaticContact CE2-CG 3.7Å; F121-H130 HydrophobicContact CZ-CB 3.36Å; F121-H130 AromaticContact CZ-CD2 3.4Å; F121-H130 VanDerWaalsContact CZ-CD2 3.4Å; F121-H130 WeakPolarHBondContact CZ-CD2 3.38Å; F121-H130 AromaticContact CZ-CG 3.17Å; F121-H130 AromaticContact CZ-ND1 3.75Å
122	K	70.7	Confident	69.2	Low	151 Å²	151	78.1 Å²	78.1	66%	0.657	36%	0.361	S	S	*	.	S	Bend	trans	-77.8	-27.5	179.1	-63.7	-175.2	-179.4	-172.6	0	110.9	E126	K122-E126 PolarHBondContact N-OE2 2.87Å
123	R	67.2	Low	70	Confident	90 Å²	90	78.6 Å²	78.6	34%	0.34	37%	0.372	S	S	.	.	S	Bend	trans	-123.2	149.3	-173	-54.9	-179.8	-170	130.6	-3.2	112.2	D104 F121 S125 E126 F127	D104-R123 IonicContact OD2-CZ 3.96Å; D104-R123 IonicContact OD2-NE 3.84Å; D104-R123 PolarHBondContact OD2-NE 3.09Å; D104-R123 IonicContact OD2-NH2 3.41Å; D104-R123 PolarHBondContact OD2-NH2 3.38Å; F121-R123 VanDerWaalsContact C-N 3.31Å; R123-S125 VanDerWaalsContact C-N 3.31Å; R123-S125 PolarHBondContact O-N 3.47Å; R123-E126 HydrophobicContact CB-CB 4.39Å; R123-E126 HydrophobicContact CB-CG 4.06Å; R123-E126 WeakPolarHBondContact CD-OE1 3.42Å; R123-E126 IonicContact CZ-OE1 3.51Å; R123-E126 PolarHBondContact N-OE2 3.24Å; R123-E126 IonicContact NE-OE1 3.76Å; R123-E126 IonicContact NH1-OE1 3.91Å; R123-E126 PolarHBondContact NH1-OE1 3.22Å; R123-E126 PolarHBondContact O-N 3.44Å; R123-F127 PolarHBondContact O-N 3.36Å; R123-F127 VanDerWaalsContact O-N 3.13Å
124	D	65.8	Low	70.9	Confident	70 Å²	70	79.6 Å²	79.6	37%	0.374	39%	0.387	S	S	.	.	H	α-helix	trans	-59.9	-44.6	175.5	175.9	65.8	0	0	0	110.9	Y112 E126 F127 C128	Y112-D124 HydrophobicContact CD1-CB 4.24Å; Y112-D124 VanDerWaalsContact CD2-N 3.33Å; Y112-D124 HydrophobicContact CE1-CB 3.56Å; Y112-D124 HydrophobicContact CE2-CB 4.05Å; Y112-D124 VanDerWaalsContact CZ-CB 3.49Å; D124-E126 VanDerWaalsContact C-N 3.28Å; D124-E126 PolarHBondContact O-N 2.75Å; D124-F127 CarbonylContact O-C 3.58Å; D124-F127 WeakPolarHBondContact O-CA 3.05Å; D124-F127 WeakPolarHBondContact O-CB 3.21Å; D124-F127 PolarHBondContact O-N 2.84Å; D124-C128 WeakPolarHBondContact O-CB 3.41Å; D124-C128 PolarHBondContact O-N 3.31Å
125	S	71.8	Confident	71.5	Confident	80 Å²	80	81.3 Å²	81.3	56%	0.559	39%	0.394	S	S	*	.	H	α-helix	trans	-61	-37	-179.2	55.1	0	0	0	0	112.9	R123 H129	R123-S125 VanDerWaalsContact C-N 3.31Å; R123-S125 PolarHBondContact O-N 3.47Å; S125-H129 WeakPolarHBondContact O-CB 3.18Å; S125-H129 PolarHBondContact O-N 3.08Å
126	E	73.6	Confident	71.9	Confident	65 Å²	65	82.2 Å²	82.2	30%	0.304	40%	0.404	S	S	.	.	H	α-helix	trans	-66.8	-41.9	175.2	-66.6	166.5	-175.4	0	0	110.7	F121 K122 R123 D124 H130	F121-E126 HydrophobicContact CB-CB 4.07Å; F121-E126 HydrophobicContact CD1-CB 3.89Å; F121-E126 HydrophobicContact CG-CB 4.35Å; K122-E126 PolarHBondContact N-OE2 2.87Å; R123-E126 HydrophobicContact CB-CB 4.39Å; R123-E126 HydrophobicContact CB-CG 4.06Å; R123-E126 WeakPolarHBondContact CD-OE1 3.42Å; R123-E126 IonicContact CZ-OE1 3.51Å; R123-E126 PolarHBondContact N-OE2 3.24Å; R123-E126 IonicContact NE-OE1 3.76Å; R123-E126 IonicContact NH1-OE1 3.91Å; R123-E126 PolarHBondContact NH1-OE1 3.22Å; R123-E126 PolarHBondContact O-N 3.44Å; D124-E126 VanDerWaalsContact C-N 3.28Å; D124-E126 PolarHBondContact O-N 2.75Å; E126-H130 VanDerWaalsContact O-CB 3.32Å; E126-H130 WeakPolarHBondContact O-CB 3.37Å; E126-H130 PolarHBondContact O-N 2.96Å
127	F	70.3	Confident	71.5	Confident	12 Å²	12	87.8 Å²	87.8	5%	0.053	43%	0.428	C	S	.	.	H	α-helix	trans	-67.4	-48.3	176.2	175.6	-120.4	0	0	0	112.8	Y112 C114 F121 R123 D124 H129 H130 L131	Y112-F127 HydrophobicContact CD1-CD1 4.13Å; Y112-F127 HydrophobicContact CG-CB 4.09Å; Y112-F127 HydrophobicContact CG-CD1 4.41Å; Y112-F127 HydrophobicContact CG-CG 4.41Å; C114-F127 HydrophobicContact CB-CD2 4.37Å; C114-F127 HydrophobicContact CB-CE2 3.8Å; F121-F127 HydrophobicContact CB-CB 4.01Å; F121-F127 HydrophobicContact CD2-CB 3.93Å; F121-F127 AromaticContact CD2-CD2 3.65Å; F121-F127 HydrophobicContact CD2-CD2 3.65Å; F121-F127 HydrophobicContact CD2-CG 4.26Å; F121-F127 AromaticContact CE2-CD2 3.94Å; F121-F127 HydrophobicContact CE2-CD2 3.94Å; F121-F127 HydrophobicContact CG-CB 4.03Å; R123-F127 PolarHBondContact O-N 3.36Å; R123-F127 VanDerWaalsContact O-N 3.13Å; D124-F127 CarbonylContact O-C 3.58Å; D124-F127 WeakPolarHBondContact O-CA 3.05Å; D124-F127 WeakPolarHBondContact O-CB 3.21Å; D124-F127 PolarHBondContact O-N 2.84Å; F127-H129 VanDerWaalsContact C-N 3.33Å; F127-H129 PolarHBondContact O-N 2.85Å; F127-H130 CarbonylContact O-C 3.55Å; F127-H130 WeakPolarHBondContact O-CA 3.3Å; F127-H130 WeakPolarHBondContact O-CB 3.44Å; F127-H130 PolarHBondContact O-N 3.28Å; F127-H130 VanDerWaalsContact O-N 3.13Å; F127-L131 HydrophobicContact CD1-CD1 4.24Å; F127-L131 HydrophobicContact CD2-CG 4.31Å; F127-L131 HydrophobicContact CE1-CD1 3.64Å; F127-L131 HydrophobicContact CE1-CG 4.32Å; F127-L131 HydrophobicContact CE2-CD1 4.05Å; F127-L131 HydrophobicContact CE2-CD2 3.92Å; F127-L131 HydrophobicContact CE2-CG 3.87Å; F127-L131 HydrophobicContact CZ-CD1 3.55Å; F127-L131 HydrophobicContact CZ-CD2 4.07Å; F127-L131 HydrophobicContact CZ-CG 3.91Å; F127-L131 WeakPolarHBondContact O-CG 3.39Å; F127-L131 PolarHBondContact O-N 2.81Å
128	C	71.3	Confident	70.7	Confident	44 Å²	44	89.8 Å²	89.8	30%	0.297	43%	0.433	S	S	.	.	H	α-helix	trans	-59.2	-43.1	175.4	-82.9	0	0	0	0	111.6	D124 H130 L131 K132	D124-C128 WeakPolarHBondContact O-CB 3.41Å; D124-C128 PolarHBondContact O-N 3.31Å; C128-H130 VanDerWaalsContact C-N 3.33Å; C128-L131 PolarHBondContact O-N 2.75Å; C128-K132 WeakPolarHBondContact O-CG 3.48Å; C128-K132 PolarHBondContact O-N 3.21Å
129	H	79.1	Confident	69.8	Low	123 Å²	123	84.8 Å²	84.8	57%	0.569	41%	0.408	S	S	*	.	H	α-helix	trans	-63	-42.7	174.5	-178.5	72.7	0	0	0	111.3	S125 F127 K132 T133	S125-H129 WeakPolarHBondContact O-CB 3.18Å; S125-H129 PolarHBondContact O-N 3.08Å; F127-H129 VanDerWaalsContact C-N 3.33Å; F127-H129 PolarHBondContact O-N 2.85Å; H129-K132 PolarHBondContact O-N 3.17Å; H129-T133 WeakPolarHBondContact O-CB 3.48Å; H129-T133 WeakPolarHBondContact O-CG2 3.35Å; H129-T133 PolarHBondContact O-N 2.88Å; H129-T133 PolarHBondContact O-OG1 3.38Å
130	H	78.2	Confident	68.8	Low	13 Å²	13	80.4 Å²	80.4	6%	0.06	41%	0.413	C	S	.	.	H	α-helix	trans	-59.8	-46.6	174.1	162.4	67	0	0	0	112.3	C114 C117 F121 E126 F127 C128 K132 T133 A134 H135	C114-H130 VanDerWaalsContact CB-NE2 3.35Å; C114-H130 WeakPolarHBondContact CB-NE2 3.39Å; C114-H130 PolarHBondContact SG-NE2 3.43Å; C117-H130 PolarHBondContact SG-CE1 2.73Å; C117-H130 PolarHBondContact SG-NE2 3.47Å; F121-H130 HydrophobicContact CE1-CB 3.66Å; F121-H130 AromaticContact CE1-CG 3.98Å; F121-H130 HydrophobicContact CE2-CB 4.01Å; F121-H130 AromaticContact CE2-CD2 3.41Å; F121-H130 VanDerWaalsContact CE2-CD2 3.41Å; F121-H130 WeakPolarHBondContact CE2-CD2 3.37Å; F121-H130 AromaticContact CE2-CG 3.7Å; F121-H130 HydrophobicContact CZ-CB 3.36Å; F121-H130 AromaticContact CZ-CD2 3.4Å; F121-H130 VanDerWaalsContact CZ-CD2 3.4Å; F121-H130 WeakPolarHBondContact CZ-CD2 3.38Å; F121-H130 AromaticContact CZ-CG 3.17Å; F121-H130 AromaticContact CZ-ND1 3.75Å; E126-H130 VanDerWaalsContact O-CB 3.32Å; E126-H130 WeakPolarHBondContact O-CB 3.37Å; E126-H130 PolarHBondContact O-N 2.96Å; F127-H130 CarbonylContact O-C 3.55Å; F127-H130 WeakPolarHBondContact O-CA 3.3Å; F127-H130 WeakPolarHBondContact O-CB 3.44Å; F127-H130 PolarHBondContact O-N 3.28Å; F127-H130 VanDerWaalsContact O-N 3.13Å; C128-H130 VanDerWaalsContact C-N 3.33Å; H130-K132 VanDerWaalsContact C-N 3.32Å; H130-K132 PolarHBondContact O-N 3.1Å; H130-T133 PolarHBondContact O-N 2.88Å; H130-T133 PolarHBondContact O-OG1 3.08Å; H130-A134 VanDerWaalsContact CE1-CB 3.48Å; H130-A134 WeakPolarHBondContact CE1-CB 3.39Å; H130-A134 WeakPolarHBondContact ND1-CB 3.42Å; H130-A134 VanDerWaalsContact O-CB 3.24Å; H130-A134 WeakPolarHBondContact O-CB 3.37Å; H130-A134 PolarHBondContact O-N 3.24Å; H130-H135 AromaticContact CE1-CD2 3.75Å; H130-H135 AromaticContact CE1-NE2 3.43Å; H130-H135 PolarHBondContact CE1-NE2 2.77Å; H130-H135 AromaticContact NE2-CD2 3.51Å; H130-H135 AromaticContact NE2-NE2 3.35Å; H130-H135 PolarHBondContact NE2-NE2 3.12Å
131	L	70.1	Confident	67.7	Low	12 Å²	12	79.2 Å²	79.2	6%	0.063	42%	0.418	C	S	.	.	H	α-helix	trans	-60.3	-42.6	177.3	-70.6	-179	0	0	0	111.8	F127 C128 T133 H135 H136 F142	F127-L131 HydrophobicContact CD1-CD1 4.24Å; F127-L131 HydrophobicContact CD2-CG 4.31Å; F127-L131 HydrophobicContact CE1-CD1 3.64Å; F127-L131 HydrophobicContact CE1-CG 4.32Å; F127-L131 HydrophobicContact CE2-CD1 4.05Å; F127-L131 HydrophobicContact CE2-CD2 3.92Å; F127-L131 HydrophobicContact CE2-CG 3.87Å; F127-L131 HydrophobicContact CZ-CD1 3.55Å; F127-L131 HydrophobicContact CZ-CD2 4.07Å; F127-L131 HydrophobicContact CZ-CG 3.91Å; F127-L131 WeakPolarHBondContact O-CG 3.39Å; F127-L131 PolarHBondContact O-N 2.81Å; C128-L131 PolarHBondContact O-N 2.75Å; L131-T133 PolarHBondContact O-N 2.99Å; L131-H135 CarbonylContact O-C 3.57Å; L131-H135 VanDerWaalsContact O-CA 3.28Å; L131-H135 WeakPolarHBondContact O-CA 3.42Å; L131-H135 WeakPolarHBondContact O-CB 2.97Å; L131-H135 PolarHBondContact O-N 2.97Å; L131-H136 PolarHBondContact O-N 2.99Å; L131-F142 HydrophobicContact CD1-CB 3.98Å
132	K	74.9	Confident	66.5	Low	133 Å²	133	80.1 Å²	80.1	58%	0.578	42%	0.422	S	S	*	.	H	α-helix	trans	-66.8	-35.5	179.4	-72.6	175.2	-177.2	180	0	113.2	C128 H129 H130	C128-K132 WeakPolarHBondContact O-CG 3.48Å; C128-K132 PolarHBondContact O-N 3.21Å; H129-K132 PolarHBondContact O-N 3.17Å; H130-K132 VanDerWaalsContact C-N 3.32Å; H130-K132 PolarHBondContact O-N 3.1Å
133	T	80	Confident	65	Low	89 Å²	89	77.2 Å²	77.2	55%	0.546	43%	0.426	S	S	.	.	H	α-helix	trans	-95.3	-37.2	-173.3	53.1	0	0	0	0	113.7	H129 H130 L131	H129-T133 WeakPolarHBondContact O-CB 3.48Å; H129-T133 WeakPolarHBondContact O-CG2 3.35Å; H129-T133 PolarHBondContact O-N 2.88Å; H129-T133 PolarHBondContact O-OG1 3.38Å; H130-T133 PolarHBondContact O-N 2.88Å; H130-T133 PolarHBondContact O-OG1 3.08Å; L131-T133 PolarHBondContact O-N 2.99Å
134	A	79.6	Confident	63.6	Low	57 Å²	57	76 Å²	76	47%	0.471	43%	0.431	S	S	.	.	H	α-helix	trans	-93.2	-24.6	-179.1	0	0	0	0	0	113	H130	H130-A134 VanDerWaalsContact CE1-CB 3.48Å; H130-A134 WeakPolarHBondContact CE1-CB 3.39Å; H130-A134 WeakPolarHBondContact ND1-CB 3.42Å; H130-A134 VanDerWaalsContact O-CB 3.24Å; H130-A134 WeakPolarHBondContact O-CB 3.37Å; H130-A134 PolarHBondContact O-N 3.24Å
135	H	75.5	Confident	62	Low	37 Å²	37	75.9 Å²	75.9	17%	0.171	45%	0.447	C	S	.	.	S	Bend	trans	-131.7	37.5	-173.6	-55.7	-61.8	0	0	0	111.9	L116 H130 L131 E137 Q138 S139	L116-H135 HydrophobicContact CD1-CB 3.78Å; L116-H135 VanDerWaalsContact CD1-CG 3.41Å; H130-H135 AromaticContact CE1-CD2 3.75Å; H130-H135 AromaticContact CE1-NE2 3.43Å; H130-H135 PolarHBondContact CE1-NE2 2.77Å; H130-H135 AromaticContact NE2-CD2 3.51Å; H130-H135 AromaticContact NE2-NE2 3.35Å; H130-H135 PolarHBondContact NE2-NE2 3.12Å; L131-H135 CarbonylContact O-C 3.57Å; L131-H135 VanDerWaalsContact O-CA 3.28Å; L131-H135 WeakPolarHBondContact O-CA 3.42Å; L131-H135 WeakPolarHBondContact O-CB 2.97Å; L131-H135 PolarHBondContact O-N 2.97Å; H135-E137 PolarHBondContact O-N 3.38Å; H135-Q138 PolarHBondContact O-N 3.28Å; H135-S139 PolarHBondContact O-N 2.82Å
136	H	67.7	Low	60.2	Low	147 Å²	147	76.2 Å²	76.2	68%	0.681	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.5	-45.6	-173	-172.9	-87.3	0	0	0	113.6	L131 Q138 S139	L131-H136 PolarHBondContact O-N 2.99Å; H136-Q138 PolarHBondContact O-N 2.89Å; H136-S139 WeakPolarHBondContact O-CB 3.32Å; H136-S139 PolarHBondContact O-N 2.96Å; H136-S139 PolarHBondContact O-OG 3.32Å
137	E	61.5	Low	58.2	Low	190 Å²	190	76.8 Å²	76.8	89%	0.888	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-28.7	-177.6	-160.6	171.5	-160	0	0	113.7	H135	H135-E137 PolarHBondContact O-N 3.38Å
138	Q	55.1	Low	56.5	Low	90 Å²	90	77.3 Å²	77.3	42%	0.421	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.5	-12.4	179.2	-55.5	-179.8	-7.1	0	0	112.3	H135 H136 G140 L141 F142	H135-Q138 PolarHBondContact O-N 3.28Å; H136-Q138 PolarHBondContact O-N 2.89Å; Q138-G140 PolarHBondContact O-N 3.38Å; Q138-G140 VanDerWaalsContact O-N 3.12Å; Q138-L141 PolarHBondContact O-N 3.25Å; Q138-F142 HydrophobicContact CB-CD2 4.35Å; Q138-F142 HydrophobicContact CB-CE2 3.56Å; Q138-F142 HydrophobicContact CB-CZ 4.38Å; Q138-F142 WeakPolarHBondContact O-CD2 3.07Å; Q138-F142 WeakPolarHBondContact O-CE2 3.43Å
139	S	48.6	Very low	54.9	Low	29 Å²	29	80.4 Å²	80.4	20%	0.203	47%	0.473	C	S	.	.	G	3₁₀ helix	trans	-57.3	-29	-177.7	70.7	0	0	0	0	113.8	H135 H136 L141 F142 A143	H135-S139 PolarHBondContact O-N 2.82Å; H136-S139 WeakPolarHBondContact O-CB 3.32Å; H136-S139 PolarHBondContact O-N 2.96Å; H136-S139 PolarHBondContact O-OG 3.32Å; S139-L141 PolarHBondContact O-N 3.39Å; S139-F142 PolarHBondContact O-N 2.71Å; S139-F142 VanDerWaalsContact O-N 3.12Å; S139-A143 PolarHBondContact O-N 2.74Å
140	G	48	Very low	52.7	Low	70 Å²	70	80.1 Å²	80.1	72%	0.722	47%	0.47	S	S	*	.	G	3₁₀ helix	trans	-61	-26	176.6	0	0	0	0	0	114.2	Q138	Q138-G140 PolarHBondContact O-N 3.38Å; Q138-G140 VanDerWaalsContact O-N 3.12Å
141	L	46.6	Very low	50.8	Low	128 Å²	128	84 Å²	84	67%	0.67	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-86.9	-10.9	178.2	-75.5	160.4	0	0	0	113.4	Q138 S139	Q138-L141 PolarHBondContact O-N 3.25Å; S139-L141 PolarHBondContact O-N 3.39Å
142	F	42.1	Very low	49.1	Very low	52 Å²	52	88.4 Å²	88.4	23%	0.228	51%	0.512	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-5.2	-169.7	-54.8	-58.8	0	0	0	114.4	L116 L131 Q138 S139 S144 V147	L116-F142 HydrophobicContact CD1-CE2 4.06Å; L116-F142 HydrophobicContact CD1-CZ 4.47Å; L131-F142 HydrophobicContact CD1-CB 3.98Å; Q138-F142 HydrophobicContact CB-CD2 4.35Å; Q138-F142 HydrophobicContact CB-CE2 3.56Å; Q138-F142 HydrophobicContact CB-CZ 4.38Å; Q138-F142 WeakPolarHBondContact O-CD2 3.07Å; Q138-F142 WeakPolarHBondContact O-CE2 3.43Å; S139-F142 PolarHBondContact O-N 2.71Å; S139-F142 VanDerWaalsContact O-N 3.12Å; F142-S144 CarbonylContact C-O 3.29Å; F142-V147 HydrophobicContact CD1-CB 4.48Å
143	A	39.2	Very low	47	Very low	90 Å²	90	86.7 Å²	86.7	74%	0.744	52%	0.517	S	S	*	.	S	Bend	trans	-75.3	-28.8	177.2	0	0	0	0	0	112.5	S139 G145	S139-A143 PolarHBondContact O-N 2.74Å; A143-G145 PolarHBondContact O-N 2.81Å
144	S	36.9	Very low	44.8	Very low	64 Å²	64	91.4 Å²	91.4	45%	0.448	53%	0.53	S	S	.	.	S	Bend	trans	-69.8	122	160.9	53.8	0	0	0	0	106.9	F142 S146	F142-S144 CarbonylContact C-O 3.29Å; S144-S146 PolarHBondContact O-N 3.32Å; S144-S146 PolarHBondContact O-OG 3.34Å; S144-S146 PolarHBondContact OG-OG 2.95Å
145	G	32.6	Very low	42.1	Very low	69 Å²	69	96 Å²	96	71%	0.711	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	26.9	-173.1	0	0	0	0	0	116.7	A143	A143-G145 PolarHBondContact O-N 2.81Å
146	S	32.8	Very low	39.7	Very low	87 Å²	87	100.3 Å²	100.3	61%	0.608	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-4.2	-163.2	47.7	0	0	0	0	116.2	S144	S144-S146 PolarHBondContact O-N 3.32Å; S144-S146 PolarHBondContact O-OG 3.34Å; S144-S146 PolarHBondContact OG-OG 2.95Å
147	V	32.9	Very low	37.7	Very low	76 Å²	76	98.6 Å²	98.6	46%	0.461	58%	0.575	S	S	.	*	S	Bend	trans	-125.3	-27.6	-173.9	-169.1	0	0	0	0	117.8	F142	F142-V147 HydrophobicContact CD1-CB 4.48Å
148	L	34.8	Very low	36	Very low	24 Å²	24	96.3 Å²	96.3	13%	0.126	57%	0.569	C	S	.	*			trans	-138.2	14.8	-172.6	-68	180	0	0	0	119	H113 R115 F150	H113-L148 PolarHBondContact CE1-O 3.38Å; H113-L148 VanDerWaalsContact CE1-O 3.28Å; R115-L148 HydrophobicContact CB-CD1 4.02Å; R115-L148 HydrophobicContact CB-CD2 4.39Å; R115-L148 HydrophobicContact CG-CD1 4.06Å; R115-L148 HydrophobicContact CG-CD2 3.69Å; L148-F150 PolarHBondContact O-N 2.97Å
149	L	37.1	Very low	34.6	Very low	109 Å²	109	99.5 Å²	99.5	57%	0.571	58%	0.584	S	S	*	*			trans	-75.6	62.6	168.2	-62.9	179.4	0	0	0	111.2	Y112 N151	Y112-L149 HydrophobicContact CD1-CD2 3.58Å; Y112-L149 HydrophobicContact CE1-CD2 3.53Å; L149-N151 PolarHBondContact O-N 3.32Å
150	F	33.6	Very low	33.5	Very low	116 Å²	116	104.8 Å²	104.8	51%	0.509	61%	0.61	S	S	.	*			trans	-85.2	95.6	170.7	-76.7	-94.3	0	0	0	109.5	L148 E152	L148-F150 PolarHBondContact O-N 2.97Å; F150-E152 PolarHBondContact O-N 3.37Å
151	N	38.3	Very low	32.4	Very low	95 Å²	95	108 Å²	108	51%	0.508	61%	0.61	S	S	.	*			trans	-68.5	103	156.3	-130	-8.3	0	0	0	105.8	K110 L149 S153	K110-N151 PolarHBondContact O-OD1 3.14Å; L149-N151 PolarHBondContact O-N 3.32Å; N151-S153 PolarHBondContact O-N 3.21Å
152	E	32.5	Very low	31.2	Very low	104 Å²	104	107.7 Å²	107.7	49%	0.486	61%	0.609	S	S	.	*			trans	-66.9	81.5	-179.9	-73.3	178.3	170.3	0	0	111.2	K110 F150	K110-E152 HydrophobicContact CD-CB 3.65Å; K110-E152 WeakPolarHBondContact CD-OE2 3.24Å; K110-E152 PolarHBondContact NZ-O 3.5Å; K110-E152 IonicContact NZ-OE2 3.57Å; K110-E152 PolarHBondContact NZ-OE2 3.29Å; F150-E152 PolarHBondContact O-N 3.37Å
153	S	31	Very low	30.4	Very low	97 Å²	97	112.5 Å²	112.5	68%	0.678	63%	0.633	S	S	*	*			trans	-81.9	111.7	162.6	-63.5	0	0	0	0	108.2	N151	N151-S153 PolarHBondContact O-N 3.21Å
154	K	33.9	Very low	29.7	Very low	188 Å²	188	113.9 Å²	113.9	82%	0.817	64%	0.636	S	S	*	*	S	Bend	trans	64.9	107.5	163	-54.9	179.5	-176.8	178.5	0	115.5	T156	K154-T156 PolarHBondContact O-N 3.38Å
155	N	24.1	Very low	29.1	Very low	153 Å²	153	116.3 Å²	116.3	82%	0.818	65%	0.649	S	S	*	*			trans	-33	99.8	159	-175.4	18.9	0	0	0	112.1
156	T	25.4	Very low	28.7	Very low	129 Å²	129	118.2 Å²	118.2	79%	0.791	65%	0.651	S	S	*	*			trans	-123.2	97.9	159.5	49.8	0	0	0	0	107	K154 N158	K154-T156 PolarHBondContact O-N 3.38Å; T156-N158 PolarHBondContact O-N 2.95Å; T156-N158 VanDerWaalsContact O-N 3.13Å
157	T	25.2	Very low	28.2	Very low	110 Å²	110	120.2 Å²	120.2	68%	0.675	66%	0.655	S	S	*	*			trans	-39	110.3	155.3	-46.1	0	0	0	0	109.6
158	N	24.5	Very low	27.7	Very low	142 Å²	142	125.4 Å²	125.4	76%	0.759	67%	0.674	S	S	*	*			trans	-164.5	112.4	146.1	-105.6	-17.5	0	0	0	111.2	T156	T156-N158 PolarHBondContact O-N 2.95Å; T156-N158 VanDerWaalsContact O-N 3.13Å
159	H	27.2	Very low	27.1	Very low	158 Å²	158	132 Å²	132	73%	0.731	71%	0.708	S	S	*	*			trans	21.5	117.2	141.8	-70.4	-76.1	0	0	0	118.7
160	N	24.8	Very low	26.3	Very low	140 Å²	140	131.5 Å²	131.5	75%	0.749	71%	0.714	S	S	*	*				0.7	118.4	126.1	-54.4	-22.3	0	0	0	114.1
161	N	24.1	Very low	25.7	Very low	136 Å²	136	132.8 Å²	132.8	73%	0.727	73%	0.726	S	S	*	*				157.3	143.7	122.5	-85.4	-5.2	0	0	0	111.8
162	D	22.4	Very low	24.9	Very low	122 Å²	122	132.6 Å²	132.6	65%	0.652	73%	0.733	S	S	*	*			trans	77.7	112.3	142.2	-59.8	-14.6	0	0	0	121
163	H	25.7	Very low	24.3	Very low	154 Å²	154	140.7 Å²	140.7	71%	0.713	76%	0.759	S	S	*	*			trans	69.4	106.8	131.9	-67	-56.7	0	0	0	119.8	T165	H163-T165 PolarHBondContact O-N 2.8Å
164	S	23.4	Very low	23.9	Very low	118 Å²	118	140.2 Å²	140.2	83%	0.825	76%	0.756	S	S	*	*				42.2	76.2	123.2	-51.9	0	0	0	0	116.8
165	T	24.9	Very low	23.4	Very low	115 Å²	115	138.6 Å²	138.6	71%	0.706	76%	0.756	S	S	*	*			trans	-116.4	100.5	156.8	58.8	0	0	0	0	109.5	H163 N167	H163-T165 PolarHBondContact O-N 2.8Å; T165-N167 PolarHBondContact O-N 3.24Å
166	S	23.3	Very low	23.3	Very low	109 Å²	109	139.2 Å²	139.2	76%	0.762	76%	0.759	S	S	*	*			trans	-49.2	100.4	156.3	171.8	0	0	0	0	108.9
167	N	22.8	Very low	23.1	Very low	130 Å²	130	142.8 Å²	142.8	70%	0.695	76%	0.759	S	S	*	*			trans	-120.6	98.7	165	-81.8	-27.4	0	0	0	107.2	T165 L169	T165-N167 PolarHBondContact O-N 3.24Å; N167-L169 PolarHBondContact O-N 3.35Å
168	H	22.1	Very low	23	Very low	185 Å²	185	145.2 Å²	145.2	86%	0.856	76%	0.763	S	S	*	*			trans	-48.9	85.8	157.9	-109.4	-91.5	0	0	0	109.2
169	L	21.8	Very low	23	Very low	161 Å²	161	146.8 Å²	146.8	84%	0.843	77%	0.766	S	S	*	*			trans	-107.2	92.6	158.3	-74.2	174.7	0	0	0	106.2	N167 D171	N167-L169 PolarHBondContact O-N 3.35Å; L169-D171 PolarHBondContact O-N 3.12Å
170	S	21.5	Very low	22.9	Very low	99 Å²	99	148 Å²	148	69%	0.692	77%	0.769	S	S	*	*			trans	-44.5	126.9	169.8	49.8	0	0	0	0	111.2
171	D	20.5	Very low	22.8	Very low	143 Å²	143	149.6 Å²	149.6	77%	0.765	77%	0.772	S	S	*	*			trans	11.3	139.8	140.1	-57.2	-45.4	0	0	0	118.3	L169	L169-D171 PolarHBondContact O-N 3.12Å
172	S	22.2	Very low	22.7	Very low	92 Å²	92	149 Å²	149	64%	0.643	78%	0.775	S	S	*	*			trans	100.5	69.2	156.4	-41.2	0	0	0	0	116.3	S174	S172-S174 PolarHBondContact O-N 3.18Å; S172-S174 VanDerWaalsContact O-N 3.16Å
173	W	19.7	Very low	22.7	Very low	274 Å²	274	150.3 Å²	150.3	100%	1.038	78%	0.782	S	S	*	*			trans	-78	62.3	130.6	-76.5	-13.1	0	0	0	109.5
174	S	23.4	Very low	22.5	Very low	87 Å²	87	151.6 Å²	151.6	61%	0.608	79%	0.788	S	S	*	*			trans	-64.8	125.8	143.3	-70.6	0	0	0	0	105.3	S172 N176	S172-S174 PolarHBondContact O-N 3.18Å; S172-S174 VanDerWaalsContact O-N 3.16Å; S174-N176 PolarHBondContact O-N 3.17Å
175	N	22.6	Very low	22.5	Very low	154 Å²	154	151.9 Å²	151.9	82%	0.824	78%	0.779	S	S	*	*			trans	-30.8	124.7	170.4	-60.3	-70.9	0	0	0	110.2	Y177	N175-Y177 PolarHBondContact O-N 3.43Å
176	N	21	Very low	22.5	Very low	166 Å²	166	153 Å²	153	89%	0.888	78%	0.781	S	S	*	*			trans	-58.5	83	169	-100.7	-23.6	0	0	0	108.1	S174 E178	S174-N176 PolarHBondContact O-N 3.17Å; N176-E178 PolarHBondContact O-N 3.35Å
177	Y	22.6	Very low	22.6	Very low	203 Å²	203	156.6 Å²	156.6	80%	0.796	79%	0.786	S	S	*	*			trans	-82.2	82.8	162.8	-163.4	-90.1	0	0	0	103.5	N175 Q179	N175-Y177 PolarHBondContact O-N 3.43Å; Y177-Q179 VanDerWaalsContact C-N 3.31Å; Y177-Q179 PolarHBondContact O-N 3.23Å
178	E	23.2	Very low	22.8	Very low	161 Å²	161	156.6 Å²	156.6	75%	0.752	79%	0.79	S	S	*	*			trans	-56.7	108.2	167.4	-86.2	-169	141.4	0	0	106.9	N176 K180	N176-E178 PolarHBondContact O-N 3.35Å; E178-K180 PolarHBondContact O-N 3.16Å
179	Q	23	Very low	23.1	Very low	175 Å²	175	154.8 Å²	154.8	82%	0.818	79%	0.787	S	S	*	*			trans	-69.1	70	-177.5	-161.9	166.8	13.7	0	0	108	Y177 Q181	Y177-Q179 VanDerWaalsContact C-N 3.31Å; Y177-Q179 PolarHBondContact O-N 3.23Å; Q179-Q181 PolarHBondContact O-N 3.28Å
180	K	25.7	Very low	23.5	Very low	184 Å²	184	152.7 Å²	152.7	80%	0.8	79%	0.786	S	S	*	*			trans	-67.7	118.1	163.4	-76.3	-170	177.8	-176.7	0	106.7	E178	E178-K180 PolarHBondContact O-N 3.16Å
181	Q	22.6	Very low	24.1	Very low	173 Å²	173	155.5 Å²	155.5	81%	0.808	79%	0.793	S	S	*	*			trans	-46.5	142.4	-177.9	-73.7	174.7	4.4	0	0	111.1	Q179 L183	Q179-Q181 PolarHBondContact O-N 3.28Å; Q181-L183 PolarHBondContact O-N 3.38Å
182	P	22.6	Very low	24.6	Very low	123 Å²	123	153.5 Å²	153.5	80%	0.799	79%	0.79	S	S	*	*			trans	-64.7	106.4	178.6	-7.6	22.2	0	0	0	108.6	Q184	P182-Q184 PolarHBondContact O-N 2.77Å; P182-Q184 VanDerWaalsContact O-N 3.09Å
183	L	23.2	Very low	24.8	Very low	151 Å²	151	155.4 Å²	155.4	79%	0.791	79%	0.792	S	S	*	*			trans	-68	105.9	162.6	-82.6	167.1	0	0	0	106.8	Q181 I185	Q181-L183 PolarHBondContact O-N 3.38Å; L183-I185 HydrophobicContact CB-CD1 4.42Å; L183-I185 HydrophobicContact CB-CG1 4.44Å; L183-I185 PolarHBondContact O-N 3.44Å
184	Q	20.8	Very low	25.2	Very low	180 Å²	180	149.3 Å²	149.3	84%	0.841	78%	0.779	S	S	*	*			trans	-59.9	104.4	166	-77.6	179.2	-62.2	0	0	107.7	P182	P182-Q184 PolarHBondContact O-N 2.77Å; P182-Q184 VanDerWaalsContact O-N 3.09Å
185	I	22.5	Very low	25.5	Very low	124 Å²	124	151.9 Å²	151.9	64%	0.636	79%	0.791	S	S	*	*			trans	-128.2	92.6	167.1	-59.9	175.9	0	0	0	106	L183 V188	L183-I185 HydrophobicContact CB-CD1 4.42Å; L183-I185 HydrophobicContact CB-CG1 4.44Å; L183-I185 PolarHBondContact O-N 3.44Å; I185-V188 HydrophobicContact CG2-CG2 4.24Å
186	D	26.7	Very low	25.8	Very low	138 Å²	138	148.6 Å²	148.6	74%	0.738	79%	0.785	S	S	*	*			trans	-54.7	137	160.5	-71.1	-51.5	0	0	0	109.2
187	Q	24.8	Very low	26.1	Very low	185 Å²	185	143.5 Å²	143.5	86%	0.864	77%	0.772	S	S	*	*			trans	66.2	88.5	164.7	-50.3	-170.3	7.6	0	0	116.4
188	V	26.6	Very low	26.7	Very low	130 Å²	130	140.4 Å²	140.4	79%	0.788	78%	0.777	S	S	*	*			trans	-137.3	127.1	152.5	-119.7	0	0	0	0	110.4	I185	I185-V188 HydrophobicContact CG2-CG2 4.24Å
189	D	27.9	Very low	27.1	Very low	148 Å²	148	133.8 Å²	133.8	79%	0.791	75%	0.751	S	S	*	*			trans	-62.7	156.3	-168.4	-66.3	-49.4	0	0	0	114.3	N191	D189-N191 PolarHBondContact O-N 3.44Å
190	S	31.6	Very low	27.4	Very low	117 Å²	117	133.4 Å²	133.4	82%	0.818	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	18.2	-172.7	-62.3	0	0	0	0	116.2
191	N	32.8	Very low	27.7	Very low	158 Å²	158	134 Å²	134	85%	0.845	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	7.7	-174.4	-90.3	4.1	0	0	0	116.2	D189	D189-N191 PolarHBondContact O-N 3.44Å
192	S	31.3	Very low	28.2	Very low	101 Å²	101	130 Å²	130	71%	0.706	74%	0.74	S	S	*	*			trans	-114.7	66.8	173.5	-61.3	0	0	0	0	111.4	N194	S192-N194 PolarHBondContact O-N 3.01Å
193	I	27.3	Very low	28.5	Very low	132 Å²	132	131.9 Å²	131.9	68%	0.677	74%	0.738	S	S	*	*			trans	-73.3	86.1	164.8	-60.2	171.6	0	0	0	106.5	V195	I193-V195 PolarHBondContact O-N 3.04Å
194	N	26.5	Very low	29.3	Very low	146 Å²	146	127.8 Å²	127.8	78%	0.781	72%	0.72	S	S	*	*			trans	-65	104.7	169.6	-94.5	-44.6	0	0	0	108.7	S192 A196	S192-N194 PolarHBondContact O-N 3.01Å; N194-A196 PolarHBondContact O-N 3.22Å
195	V	30.1	Very low	29.9	Very low	141 Å²	141	127.3 Å²	127.3	86%	0.855	72%	0.717	S	S	*	*			trans	-70.2	83.1	166.5	179.5	0	0	0	0	107.5	I193	I193-V195 PolarHBondContact O-N 3.04Å
196	A	28.9	Very low	30.7	Very low	84 Å²	84	125.6 Å²	125.6	69%	0.694	71%	0.705	S	S	*	*			trans	-163.1	72.2	166.4	0	0	0	0	0	109.2	N194	N194-A196 PolarHBondContact O-N 3.22Å
197	G	28.3	Very low	31.3	Very low	60 Å²	60	124 Å²	124	62%	0.619	70%	0.697	S	S	*	*			trans	-68.7	132	163.5	0	0	0	0	0	108.9	G199	G197-G199 VanDerWaalsContact C-N 3.29Å; G197-G199 PolarHBondContact O-N 2.85Å
198	P	34.7	Very low	31.9	Very low	138 Å²	138	118.6 Å²	118.6	90%	0.896	68%	0.684	S	S	*	*			trans	-71.3	85.3	-180	28.4	-32.2	0	0	0	109.5
199	G	32.2	Very low	32.6	Very low	21 Å²	21	116.4 Å²	116.4	22%	0.216	67%	0.668	C	S	.	*			trans	-79.2	130.4	166.2	0	0	0	0	0	108.6	G197 Y201	G197-G199 VanDerWaalsContact C-N 3.29Å; G197-G199 PolarHBondContact O-N 2.85Å; G199-Y201 VanDerWaalsContact C-N 3.26Å; G199-Y201 WeakPolarHBondContact O-CD2 3.27Å; G199-Y201 PolarHBondContact O-N 3.4Å
200	L	28.5	Very low	33.2	Very low	167 Å²	167	118.8 Å²	118.8	87%	0.874	67%	0.671	S	S	*	*			trans	-56	94.6	163.3	-79.9	156.8	0	0	0	107.8	V202	L200-V202 PolarHBondContact O-N 2.91Å; L200-V202 VanDerWaalsContact O-N 3.17Å
201	Y	31.7	Very low	33.9	Very low	196 Å²	196	117.4 Å²	117.4	77%	0.769	66%	0.655	S	S	*	*			trans	-68.1	110.9	166.1	-82	-93.5	0	0	0	106.1	G199 E203	G199-Y201 VanDerWaalsContact C-N 3.26Å; G199-Y201 WeakPolarHBondContact O-CD2 3.27Å; G199-Y201 PolarHBondContact O-N 3.4Å; Y201-E203 VanDerWaalsContact C-N 3.34Å; Y201-E203 PolarHBondContact O-N 3.05Å
202	V	33.5	Very low	34.7	Very low	90 Å²	90	119.3 Å²	119.3	55%	0.545	66%	0.658	S	S	.	*			trans	-72.2	103.8	156.1	-179.3	0	0	0	0	104.4	L200 V204	L200-V202 PolarHBondContact O-N 2.91Å; L200-V202 VanDerWaalsContact O-N 3.17Å; V202-V204 VanDerWaalsContact C-N 3.27Å; V202-V204 PolarHBondContact O-N 3.43Å
203	E	29	Very low	35.7	Very low	163 Å²	163	120 Å²	120	76%	0.762	65%	0.654	S	S	*	*			trans	-61.7	96.8	167.8	-71.2	-178.7	163.3	0	0	106.9	Y201 E205	Y201-E203 VanDerWaalsContact C-N 3.34Å; Y201-E203 PolarHBondContact O-N 3.05Å; E203-E205 PolarHBondContact O-N 2.99Å
204	V	39.9	Very low	37.1	Very low	65 Å²	65	118.1 Å²	118.1	39%	0.394	67%	0.668	S	S	.	*			trans	-73.3	96.2	161.8	-169.8	0	0	0	0	103.9	L87 V202 F206	L87-V204 HydrophobicContact CD1-CG2 4.16Å; V202-V204 VanDerWaalsContact C-N 3.27Å; V202-V204 PolarHBondContact O-N 3.43Å; V204-F206 VanDerWaalsContact C-N 3.33Å; V204-F206 WeakPolarHBondContact O-CD2 3.28Å; V204-F206 PolarHBondContact O-N 3.41Å
205	E	33.4	Very low	38.5	Very low	169 Å²	169	118.4 Å²	118.4	79%	0.79	66%	0.664	S	S	*	*			trans	-55.2	101.2	174.2	-68.9	-177.2	169.5	0	0	107.5	E203 N207	E203-E205 PolarHBondContact O-N 2.99Å; E205-N207 VanDerWaalsContact C-N 3.28Å; E205-N207 PolarHBondContact O-N 2.75Å
206	F	38.9	Very low	39.6	Very low	88 Å²	88	117 Å²	117	39%	0.386	65%	0.652	S	S	.	*			trans	-67	101.2	166.4	-74.1	-85.6	0	0	0	104.6	L87 V204 A208 F220	L87-F206 HydrophobicContact CD2-CE1 3.92Å; L87-F206 HydrophobicContact CD2-CE2 4.39Å; L87-F206 HydrophobicContact CD2-CZ 3.48Å; L87-F206 VanDerWaalsContact CD2-CZ 3.48Å; V204-F206 VanDerWaalsContact C-N 3.33Å; V204-F206 WeakPolarHBondContact O-CD2 3.28Å; V204-F206 PolarHBondContact O-N 3.41Å; F206-A208 PolarHBondContact O-N 2.87Å; F206-F220 HydrophobicContact CD1-CD1 4.24Å; F206-F220 HydrophobicContact CD1-CE1 4.34Å; F206-F220 AromaticContact CE1-CD1 3.98Å; F206-F220 HydrophobicContact CE1-CD1 3.98Å; F206-F220 HydrophobicContact CE1-CE1 4.26Å
207	N	40	Very low	41.2	Very low	104 Å²	104	116 Å²	116	56%	0.556	64%	0.639	S	S	*	*			trans	-66.6	87.8	177.7	-155.8	3	0	0	0	107.4	E205 N209	E205-N207 VanDerWaalsContact C-N 3.28Å; E205-N207 PolarHBondContact O-N 2.75Å; N207-N209 VanDerWaalsContact CG-CG 3.45Å; N207-N209 PolarHBondContact ND2-ND2 3.32Å; N207-N209 VanDerWaalsContact ND2-ND2 3.13Å; N207-N209 PolarHBondContact ND2-OD1 2.82Å; N207-N209 PolarHBondContact O-N 3.01Å; N207-N209 PolarHBondContact OD1-OD1 2.8Å
208	A	36.7	Very low	43	Very low	73 Å²	73	119.7 Å²	119.7	60%	0.603	64%	0.638	S	S	*	*			trans	-71.6	64.1	160	0	0	0	0	0	105.8	F206 K210	F206-A208 PolarHBondContact O-N 2.87Å; A208-K210 PolarHBondContact O-N 2.82Å
209	N	41.2	Very low	44.6	Very low	84 Å²	84	115.1 Å²	115.1	45%	0.449	61%	0.608	S	S	.	*			trans	-55.1	110.1	169	-95.9	-15	0	0	0	105.2	N207 N211	N207-N209 VanDerWaalsContact CG-CG 3.45Å; N207-N209 PolarHBondContact ND2-ND2 3.32Å; N207-N209 VanDerWaalsContact ND2-ND2 3.13Å; N207-N209 PolarHBondContact ND2-OD1 2.82Å; N207-N209 PolarHBondContact O-N 3.01Å; N207-N209 PolarHBondContact OD1-OD1 2.8Å; N209-N211 PolarHBondContact O-N 3.04Å
210	K	40.8	Very low	46.5	Very low	197 Å²	197	116 Å²	116	86%	0.857	61%	0.606	S	S	*	*			trans	-66	88.9	161.2	-68.6	179.4	180	176.8	0	104.8	A208 E212	A208-K210 PolarHBondContact O-N 2.82Å; K210-E212 PolarHBondContact O-N 2.95Å
211	N	45.3	Very low	48.7	Very low	89 Å²	89	113.5 Å²	113.5	48%	0.476	59%	0.59	S	S	.	*			trans	-72.8	125.7	162.3	-67.3	-6	0	0	0	105.7	N209 D213	N209-N211 PolarHBondContact O-N 3.04Å; N211-D213 PolarHBondContact O-N 3.05Å
212	E	51.2	Low	50.7	Low	197 Å²	197	104.2 Å²	104.2	92%	0.921	55%	0.554	S	S	*	*	S	Bend	trans	-67.2	-14.8	174.7	-64.4	-178.3	160.5	0	0	111.3	K210 G214	K210-E212 PolarHBondContact O-N 2.95Å; E212-G214 PolarHBondContact O-N 2.88Å
213	D	51.9	Low	52.4	Low	115 Å²	115	103.4 Å²	103.4	62%	0.615	55%	0.549	S	S	*	.	S	Bend	trans	-74.1	123.2	167.5	-49.1	-50	0	0	0	108.1	N211 E215	N211-D213 PolarHBondContact O-N 3.05Å; D213-E215 PolarHBondContact O-N 2.8Å
214	G	55.6	Low	54.3	Low	94 Å²	94	100.4 Å²	100.4	97%	0.969	54%	0.537	S	S	*	.	S	Bend	trans	-58.4	20.2	179.6	0	0	0	0	0	116.5	E212 N216	E212-G214 PolarHBondContact O-N 2.88Å; G214-N216 PolarHBondContact O-N 3.3Å
215	E	57.2	Low	56.1	Low	151 Å²	151	100.1 Å²	100.1	71%	0.706	54%	0.538	S	S	*	.			trans	-72.2	114.2	166.3	-63.3	-158.5	160.1	0	0	110.8	D213 P217	D213-E215 PolarHBondContact O-N 2.8Å; E215-P217 WeakPolarHBondContact O-CD 3.46Å
216	N	52	Low	58.1	Low	112 Å²	112	93.8 Å²	93.8	60%	0.599	52%	0.518	S	S	*	.			trans	-54.4	105.1	-179.3	-151.1	-21.5	0	0	0	110.7	G214 K218	G214-N216 PolarHBondContact O-N 3.3Å; N216-K218 PolarHBondContact O-N 3.4Å
217	P	62.4	Low	60	Low	64 Å²	64	96.9 Å²	96.9	42%	0.416	53%	0.527	S	S	.	.			trans	-61.6	137.2	-172.5	23.2	-31.6	0	0	0	109.3	E215 P219	E215-P217 WeakPolarHBondContact O-CD 3.46Å; P217-P219 WeakPolarHBondContact O-CD 3.34Å
218	K	66.6	Low	61.9	Low	137 Å²	137	94.5 Å²	94.5	60%	0.596	52%	0.518	S	S	*	.			trans	-107	70.8	177.5	-67.1	174.9	-173.1	166.6	0	109.5	N216 F220 S228 F229 K230	N216-K218 PolarHBondContact O-N 3.4Å; K218-F220 PolarHBondContact O-N 3.44Å; K218-S228 VanDerWaalsContact O-CB 3.31Å; K218-S228 WeakPolarHBondContact O-CB 3.38Å; K218-F229 CarbonylContact C-O 3.48Å; K218-F229 WeakPolarHBondContact CA-O 3.49Å; K218-K230 HydrophobicContact CG-CB 4.47Å
219	P	68.2	Low	63.9	Low	41 Å²	41	93.1 Å²	93.1	27%	0.266	50%	0.499	S	S	.	.			trans	-70.5	-14.6	-170.6	28.8	-36.4	0	0	0	114.1	P217	P217-P219 WeakPolarHBondContact O-CD 3.34Å
220	F	72.8	Confident	65.9	Low	41 Å²	41	94.6 Å²	94.6	18%	0.18	50%	0.501	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	94.8	-174.9	-59.4	-79.5	0	0	0	111.2	F206 K218 S228 F229 R231 Q232 L235	F206-F220 HydrophobicContact CD1-CD1 4.24Å; F206-F220 HydrophobicContact CD1-CE1 4.34Å; F206-F220 AromaticContact CE1-CD1 3.98Å; F206-F220 HydrophobicContact CE1-CD1 3.98Å; F206-F220 HydrophobicContact CE1-CE1 4.26Å; K218-F220 PolarHBondContact O-N 3.44Å; F220-S228 CarbonylContact O-C 3.58Å; F220-S228 WeakPolarHBondContact O-CA 3.2Å; F220-F229 HydrophobicContact CB-CB 4.25Å; F220-F229 WeakPolarHBondContact CB-O 3.4Å; F220-F229 WeakPolarHBondContact CD2-O 3.44Å; F220-F229 PolarHBondContact N-O 2.83Å; F220-F229 WeakPolarHBondContact O-CD2 3.46Å; F220-F229 PolarHBondContact O-N 3.38Å; F220-R231 VanDerWaalsContact CD2-CA 3.46Å; F220-Q232 HydrophobicContact CD1-CB 3.76Å; F220-Q232 HydrophobicContact CD1-CG 3.98Å; F220-Q232 VanDerWaalsContact CD2-N 3.31Å; F220-Q232 HydrophobicContact CE1-CB 3.56Å; F220-Q232 HydrophobicContact CE1-CG 3.96Å; F220-Q232 HydrophobicContact CE2-CB 4.37Å; F220-Q232 HydrophobicContact CG-CB 4.26Å; F220-Q232 HydrophobicContact CZ-CB 3.88Å; F220-L235 HydrophobicContact CB-CB 3.99Å; F220-L235 HydrophobicContact CB-CD2 3.87Å
221	E	74	Confident	67.7	Low	113 Å²	113	91.8 Å²	91.8	53%	0.528	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	139.5	178.7	-171.4	-179.9	150.1	0	0	113.5	G226 R227	E221-G226 WeakPolarHBondContact OE1-CA 3.12Å; E221-R227 CarbonylContact C-O 3.31Å; E221-R227 WeakPolarHBondContact CA-O 2.89Å
222	C	74	Confident	69.1	Low	2 Å²	2	90.9 Å²	90.9	1%	0.014	48%	0.478	C	S	.	.			trans	-78.8	116.5	169.8	-177.9	0	0	0	0	111.1	L224 C225 G226 R227 F229 L235 H238 H243	C222-L224 PolarHBondContact O-N 2.72Å; C222-L224 VanDerWaalsContact O-N 3.14Å; C222-C225 PolarHBondContact O-N 2.98Å; C222-C225 VanDerWaalsContact SG-SG 3.67Å; C222-G226 VanDerWaalsContact O-CA 3.26Å; C222-G226 WeakPolarHBondContact O-CA 3.1Å; C222-G226 PolarHBondContact O-N 3.12Å; C222-R227 HydrophobicContact CB-CB 4.48Å; C222-R227 PolarHBondContact N-O 3.02Å; C222-F229 HydrophobicContact CB-CE2 4.45Å; C222-L235 VanDerWaalsContact CA-CD1 3.49Å; C222-L235 HydrophobicContact CB-CD1 3.56Å; C222-H238 PolarHBondContact SG-NE2 3.16Å; C222-H238 VanDerWaalsContact SG-NE2 3.42Å; C222-H243 PolarHBondContact SG-NE2 3.48Å; C222-H243 VanDerWaalsContact SG-NE2 3.36Å
223	T	68.4	Low	70.5	Confident	72 Å²	72	84.4 Å²	84.4	44%	0.442	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-15.6	-179	61.3	0	0	0	0	114.3
224	L	70.6	Confident	72.1	Confident	100 Å²	100	81.9 Å²	81.9	52%	0.524	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	-25	-179.5	-65.3	-178.1	0	0	0	113.5	C222 Y239 H243	C222-L224 PolarHBondContact O-N 2.72Å; C222-L224 VanDerWaalsContact O-N 3.14Å; L224-Y239 HydrophobicContact CD1-CD2 4.24Å; L224-Y239 HydrophobicContact CD1-CE2 3.51Å; L224-Y239 HydrophobicContact CG-CE2 4.27Å; L224-H243 VanDerWaalsContact CB-CE1 3.49Å; L224-H243 WeakPolarHBondContact CB-CE1 3.4Å; L224-H243 HydrophobicContact CD1-CB 3.69Å; L224-H243 VanDerWaalsContact CD1-CG 3.47Å
225	C	77.2	Confident	73.2	Confident	59 Å²	59	77.6 Å²	77.6	40%	0.399	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.4	1.6	-177.8	72.5	0	0	0	0	115.1	C222 R227 H238	C222-C225 PolarHBondContact O-N 2.98Å; C222-C225 VanDerWaalsContact SG-SG 3.67Å; C225-R227 PolarHBondContact O-N 3.34Å; C225-H238 VanDerWaalsContact SG-CE1 3.55Å; C225-H238 PolarHBondContact SG-NE2 3.43Å
226	G	74.8	Confident	74.5	Confident	36 Å²	36	74.9 Å²	74.9	37%	0.371	37%	0.371	S	S	.	.			trans	72.1	4.7	179.3	0	0	0	0	0	115.3	E221 C222 S228	E221-G226 WeakPolarHBondContact OE1-CA 3.12Å; C222-G226 VanDerWaalsContact O-CA 3.26Å; C222-G226 WeakPolarHBondContact O-CA 3.1Å; C222-G226 PolarHBondContact O-N 3.12Å; G226-S228 PolarHBondContact O-N 3.04Å
227	R	78.2	Confident	76.1	Confident	154 Å²	154	73.1 Å²	73.1	58%	0.581	36%	0.356	S	S	*	.			trans	-72.2	122.2	-178.8	-76.2	-176.5	175	-178.8	0.8	111.4	E221 C222 C225 F229	E221-R227 CarbonylContact C-O 3.31Å; E221-R227 WeakPolarHBondContact CA-O 2.89Å; C222-R227 HydrophobicContact CB-CB 4.48Å; C222-R227 PolarHBondContact N-O 3.02Å; C225-R227 PolarHBondContact O-N 3.34Å; R227-F229 HydrophobicContact CB-CE2 3.76Å; R227-F229 HydrophobicContact CB-CZ 3.97Å; R227-F229 VanDerWaalsContact O-CD2 3.27Å; R227-F229 WeakPolarHBondContact O-CD2 3.37Å; R227-F229 WeakPolarHBondContact O-CE2 3.02Å
228	S	80.1	Confident	77.2	Confident	53 Å²	53	70.6 Å²	70.6	37%	0.371	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	142.5	176.9	-28.8	0	0	0	0	112.7	K218 F220 G226	K218-S228 VanDerWaalsContact O-CB 3.31Å; K218-S228 WeakPolarHBondContact O-CB 3.38Å; F220-S228 CarbonylContact O-C 3.58Å; F220-S228 WeakPolarHBondContact O-CA 3.2Å; G226-S228 PolarHBondContact O-N 3.04Å
229	F	79.9	Confident	77.8	Confident	44 Å²	44	64.3 Å²	64.3	19%	0.193	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	146.3	-177.3	-61.2	-89.6	0	0	0	110.5	K218 F220 C222 R227 R231 K234 L235 H238	K218-F229 CarbonylContact C-O 3.48Å; K218-F229 WeakPolarHBondContact CA-O 3.49Å; F220-F229 HydrophobicContact CB-CB 4.25Å; F220-F229 WeakPolarHBondContact CB-O 3.4Å; F220-F229 WeakPolarHBondContact CD2-O 3.44Å; F220-F229 PolarHBondContact N-O 2.83Å; F220-F229 WeakPolarHBondContact O-CD2 3.46Å; F220-F229 PolarHBondContact O-N 3.38Å; C222-F229 HydrophobicContact CB-CE2 4.45Å; R227-F229 HydrophobicContact CB-CE2 3.76Å; R227-F229 HydrophobicContact CB-CZ 3.97Å; R227-F229 VanDerWaalsContact O-CD2 3.27Å; R227-F229 WeakPolarHBondContact O-CD2 3.37Å; R227-F229 WeakPolarHBondContact O-CE2 3.02Å; F229-R231 VanDerWaalsContact C-N 3.29Å; F229-R231 PolarHBondContact O-N 3.13Å; F229-K234 HydrophobicContact CB-CB 4.18Å; F229-K234 HydrophobicContact CD1-CB 3.88Å; F229-K234 HydrophobicContact CG-CB 4.31Å; F229-L235 HydrophobicContact CB-CB 4.21Å; F229-L235 HydrophobicContact CD2-CB 3.78Å; F229-L235 HydrophobicContact CD2-CD1 3.6Å; F229-L235 HydrophobicContact CD2-CG 4.29Å; F229-L235 HydrophobicContact CE2-CD1 3.76Å; F229-L235 HydrophobicContact CG-CB 4.15Å; F229-H238 HydrophobicContact CE1-CB 3.86Å; F229-H238 HydrophobicContact CE2-CB 3.85Å; F229-H238 AromaticContact CE2-CD2 3.39Å; F229-H238 WeakPolarHBondContact CE2-CD2 3.49Å; F229-H238 AromaticContact CE2-CG 3.65Å; F229-H238 HydrophobicContact CZ-CB 3.31Å; F229-H238 AromaticContact CZ-CD2 3.5Å; F229-H238 VanDerWaalsContact CZ-CD2 3.5Å; F229-H238 WeakPolarHBondContact CZ-CD2 3.43Å; F229-H238 AromaticContact CZ-CG 3.24Å; F229-H238 AromaticContact CZ-ND1 3.91Å
230	K	82.2	Confident	78.5	Confident	116 Å²	116	65.8 Å²	65.8	50%	0.504	32%	0.315	S	S	.	.	S	Bend	trans	-72.9	-17	176.9	61.9	177.6	-179.2	179.2	0	114.9	K218	K218-K230 HydrophobicContact CG-CB 4.47Å
231	R	78.5	Confident	79	Confident	137 Å²	137	67 Å²	67	52%	0.517	32%	0.321	S	S	.	.	S	Bend	trans	-143.1	143.5	-176.8	-70.3	170	46.1	147.5	4	110.8	F220 F229 D233 K234 L235	F220-R231 VanDerWaalsContact CD2-CA 3.46Å; F229-R231 VanDerWaalsContact C-N 3.29Å; F229-R231 PolarHBondContact O-N 3.13Å; R231-D233 VanDerWaalsContact C-N 3.34Å; R231-D233 WeakPolarHBondContact CB-OD1 3.42Å; R231-D233 IonicContact CZ-OD1 3.01Å; R231-D233 IonicContact CZ-OD2 3.49Å; R231-D233 IonicContact NE-OD1 3.51Å; R231-D233 PolarHBondContact NE-OD1 2.92Å; R231-D233 IonicContact NE-OD2 3.48Å; R231-D233 VanDerWaalsContact NH2-CG 3.32Å; R231-D233 IonicContact NH2-OD1 3.04Å; R231-D233 PolarHBondContact NH2-OD1 2.73Å; R231-D233 IonicContact NH2-OD2 3.72Å; R231-D233 PolarHBondContact NH2-OD2 3.06Å; R231-D233 PolarHBondContact O-N 3.43Å; R231-K234 HydrophobicContact CB-CG 4.18Å; R231-K234 WeakPolarHBondContact O-CB 3.35Å; R231-K234 PolarHBondContact O-N 3.13Å; R231-K234 VanDerWaalsContact O-N 3.09Å; R231-L235 PolarHBondContact O-N 3.28Å
232	Q	75.3	Confident	79.5	Confident	70 Å²	70	65.6 Å²	65.6	33%	0.327	32%	0.32	S	S	.	.	H	α-helix	trans	-60.9	-38.1	179.9	-162.4	179.6	10.6	0	0	113	S86 F89 F220 K234 L235 R236	S86-Q232 PolarHBondContact O-NE2 2.95Å; S86-Q232 VanDerWaalsContact O-NE2 3.1Å; F89-Q232 HydrophobicContact CE1-CG 4.06Å; F89-Q232 HydrophobicContact CZ-CG 3.82Å; F220-Q232 HydrophobicContact CD1-CB 3.76Å; F220-Q232 HydrophobicContact CD1-CG 3.98Å; F220-Q232 VanDerWaalsContact CD2-N 3.31Å; F220-Q232 HydrophobicContact CE1-CB 3.56Å; F220-Q232 HydrophobicContact CE1-CG 3.96Å; F220-Q232 HydrophobicContact CE2-CB 4.37Å; F220-Q232 HydrophobicContact CG-CB 4.26Å; F220-Q232 HydrophobicContact CZ-CB 3.88Å; Q232-K234 PolarHBondContact O-N 3.29Å; Q232-L235 PolarHBondContact O-N 3.12Å; Q232-L235 VanDerWaalsContact O-N 3.16Å; Q232-R236 PolarHBondContact O-N 3.01Å
233	D	81.2	Confident	79.8	Confident	61 Å²	61	68.4 Å²	68.4	33%	0.326	33%	0.333	S	S	.	.	H	α-helix	trans	-61.7	-29.4	177.7	67.2	-76.9	0	0	0	112.6	R231 R237	R231-D233 VanDerWaalsContact C-N 3.34Å; R231-D233 WeakPolarHBondContact CB-OD1 3.42Å; R231-D233 IonicContact CZ-OD1 3.01Å; R231-D233 IonicContact CZ-OD2 3.49Å; R231-D233 IonicContact NE-OD1 3.51Å; R231-D233 PolarHBondContact NE-OD1 2.92Å; R231-D233 IonicContact NE-OD2 3.48Å; R231-D233 VanDerWaalsContact NH2-CG 3.32Å; R231-D233 IonicContact NH2-OD1 3.04Å; R231-D233 PolarHBondContact NH2-OD1 2.73Å; R231-D233 IonicContact NH2-OD2 3.72Å; R231-D233 PolarHBondContact NH2-OD2 3.06Å; R231-D233 PolarHBondContact O-N 3.43Å; D233-R237 WeakPolarHBondContact O-CB 3.48Å; D233-R237 PolarHBondContact O-N 3.33Å; D233-R237 VanDerWaalsContact O-N 3.08Å
234	K	85.2	Confident	80.2	Confident	63 Å²	63	68 Å²	68	27%	0.274	33%	0.328	S	S	.	.	H	α-helix	trans	-76.3	-39.5	177.6	-61.9	-70.2	176.8	-94.9	0	111.2	F229 R231 Q232 R237 H238	F229-K234 HydrophobicContact CB-CB 4.18Å; F229-K234 HydrophobicContact CD1-CB 3.88Å; F229-K234 HydrophobicContact CG-CB 4.31Å; R231-K234 HydrophobicContact CB-CG 4.18Å; R231-K234 WeakPolarHBondContact O-CB 3.35Å; R231-K234 PolarHBondContact O-N 3.13Å; R231-K234 VanDerWaalsContact O-N 3.09Å; Q232-K234 PolarHBondContact O-N 3.29Å; K234-R237 VanDerWaalsContact CD-NH2 3.26Å; K234-H238 WeakPolarHBondContact O-CB 3.4Å; K234-H238 PolarHBondContact O-N 2.67Å
235	L	78.7	Confident	80.3	Confident	3 Å²	3	66 Å²	66	2%	0.016	33%	0.332	C	S	.	.	H	α-helix	trans	-62.6	-48.1	171.9	174.4	62.4	0	0	0	110.8	F89 F220 C222 F229 R231 Q232 R237 H238 Y239	F89-L235 HydrophobicContact CE2-CD2 4.2Å; F89-L235 HydrophobicContact CE2-CG 3.97Å; F89-L235 HydrophobicContact CZ-CD2 4.41Å; F89-L235 HydrophobicContact CZ-CG 4.45Å; F220-L235 HydrophobicContact CB-CB 3.99Å; F220-L235 HydrophobicContact CB-CD2 3.87Å; C222-L235 VanDerWaalsContact CA-CD1 3.49Å; C222-L235 HydrophobicContact CB-CD1 3.56Å; F229-L235 HydrophobicContact CB-CB 4.21Å; F229-L235 HydrophobicContact CD2-CB 3.78Å; F229-L235 HydrophobicContact CD2-CD1 3.6Å; F229-L235 HydrophobicContact CD2-CG 4.29Å; F229-L235 HydrophobicContact CE2-CD1 3.76Å; F229-L235 HydrophobicContact CG-CB 4.15Å; R231-L235 PolarHBondContact O-N 3.28Å; Q232-L235 PolarHBondContact O-N 3.12Å; Q232-L235 VanDerWaalsContact O-N 3.16Å; L235-R237 PolarHBondContact O-N 3.11Å; L235-H238 WeakPolarHBondContact O-CB 3.41Å; L235-H238 PolarHBondContact O-N 3.44Å; L235-H238 VanDerWaalsContact O-N 3.15Å; L235-Y239 WeakPolarHBondContact O-CB 3.44Å; L235-Y239 PolarHBondContact O-N 3.09Å
236	R	83.8	Confident	79.9	Confident	95 Å²	95	67.9 Å²	67.9	36%	0.358	34%	0.337	S	S	.	.	H	α-helix	trans	-54.1	-51.8	176.5	-178.2	-176.7	-65.7	178.2	-5.5	111.9	E84 F89 Q232 H238 Y239 Q240	E84-R236 IonicContact OE1-CZ 3.92Å; E84-R236 IonicContact OE1-NE 2.89Å; E84-R236 IonicContact OE1-NH2 3.47Å; E84-R236 PolarHBondContact OE1-NH2 3.2Å; E84-R236 VanDerWaalsContact OE1-NH2 3.12Å; F89-R236 HydrophobicContact CB-CG 4.35Å; F89-R236 HydrophobicContact CD1-CB 4.11Å; F89-R236 HydrophobicContact CD1-CG 3.91Å; F89-R236 HydrophobicContact CD2-CB 3.9Å; F89-R236 HydrophobicContact CD2-CG 4Å; F89-R236 HydrophobicContact CE1-CB 3.91Å; F89-R236 HydrophobicContact CE1-CG 4.21Å; F89-R236 HydrophobicContact CE2-CB 3.73Å; F89-R236 HydrophobicContact CE2-CG 4.33Å; F89-R236 HydrophobicContact CG-CB 4.09Å; F89-R236 HydrophobicContact CG-CG 3.78Å; F89-R236 HydrophobicContact CZ-CB 3.72Å; F89-R236 HydrophobicContact CZ-CG 4.42Å; Q232-R236 PolarHBondContact O-N 3.01Å; R236-H238 VanDerWaalsContact C-N 3.32Å; R236-H238 PolarHBondContact O-N 3.06Å; R236-Y239 PolarHBondContact O-N 3.39Å; R236-Q240 WeakPolarHBondContact O-CG 3.45Å; R236-Q240 PolarHBondContact O-N 3.43Å
237	R	86.3	Confident	79.8	Confident	75 Å²	75	74 Å²	74	28%	0.283	35%	0.349	S	S	.	.	H	α-helix	trans	-61.6	-41.5	178.5	-177.8	180	62.9	179.8	3.4	111.9	D233 K234 L235 Y239 Q240 E241	D233-R237 WeakPolarHBondContact O-CB 3.48Å; D233-R237 PolarHBondContact O-N 3.33Å; D233-R237 VanDerWaalsContact O-N 3.08Å; K234-R237 VanDerWaalsContact CD-NH2 3.26Å; L235-R237 PolarHBondContact O-N 3.11Å; R237-Y239 VanDerWaalsContact C-N 3.33Å; R237-Y239 PolarHBondContact O-N 2.97Å; R237-Q240 PolarHBondContact O-N 2.83Å; R237-E241 WeakPolarHBondContact CD-OE1 3.49Å; R237-E241 HydrophobicContact CG-CG 4.11Å; R237-E241 WeakPolarHBondContact CG-OE1 3.45Å; R237-E241 WeakPolarHBondContact O-CB 3.24Å; R237-E241 WeakPolarHBondContact O-CG 3.49Å; R237-E241 PolarHBondContact O-N 2.97Å
238	H	84.3	Confident	79.7	Confident	10 Å²	10	72.8 Å²	72.8	5%	0.046	35%	0.35	C	S	.	.	H	α-helix	trans	-59.8	-45.6	175.6	159.7	64.3	0	0	0	111.6	C222 C225 F229 K234 L235 R236 Q240 E241 V242 H243	C222-H238 PolarHBondContact SG-NE2 3.16Å; C222-H238 VanDerWaalsContact SG-NE2 3.42Å; C225-H238 VanDerWaalsContact SG-CE1 3.55Å; C225-H238 PolarHBondContact SG-NE2 3.43Å; F229-H238 HydrophobicContact CE1-CB 3.86Å; F229-H238 HydrophobicContact CE2-CB 3.85Å; F229-H238 AromaticContact CE2-CD2 3.39Å; F229-H238 WeakPolarHBondContact CE2-CD2 3.49Å; F229-H238 AromaticContact CE2-CG 3.65Å; F229-H238 HydrophobicContact CZ-CB 3.31Å; F229-H238 AromaticContact CZ-CD2 3.5Å; F229-H238 VanDerWaalsContact CZ-CD2 3.5Å; F229-H238 WeakPolarHBondContact CZ-CD2 3.43Å; F229-H238 AromaticContact CZ-CG 3.24Å; F229-H238 AromaticContact CZ-ND1 3.91Å; K234-H238 WeakPolarHBondContact O-CB 3.4Å; K234-H238 PolarHBondContact O-N 2.67Å; L235-H238 WeakPolarHBondContact O-CB 3.41Å; L235-H238 PolarHBondContact O-N 3.44Å; L235-H238 VanDerWaalsContact O-N 3.15Å; R236-H238 VanDerWaalsContact C-N 3.32Å; R236-H238 PolarHBondContact O-N 3.06Å; H238-Q240 PolarHBondContact O-N 3.02Å; H238-E241 PolarHBondContact O-N 3.2Å; H238-V242 WeakPolarHBondContact ND1-CG2 3.1Å; H238-V242 VanDerWaalsContact O-CB 3.3Å; H238-V242 WeakPolarHBondContact O-CB 3.35Å; H238-V242 WeakPolarHBondContact O-CG2 3.33Å; H238-V242 PolarHBondContact O-N 3.4Å; H238-H243 AromaticContact CE1-NE2 3.98Å; H238-H243 AromaticContact NE2-NE2 3.62Å
239	Y	81	Confident	80.1	Confident	5 Å²	5	75.8 Å²	75.8	2%	0.02	36%	0.358	C	S	.	.	H	α-helix	trans	-60.7	-45.1	178.8	-178	-84.6	0	0	0	111.7	C88 F89 K90 L224 L235 R236 R237 H243 D244	C88-Y239 HydrophobicContact CB-CD2 4.38Å; C88-Y239 HydrophobicContact CB-CE2 3.8Å; C88-Y239 WeakPolarHBondContact O-CD1 3.48Å; C88-Y239 WeakPolarHBondContact O-CE1 3.33Å; F89-Y239 HydrophobicContact CD2-CG 4.43Å; K90-Y239 WeakPolarHBondContact CE-OH 3.32Å; K90-Y239 PolarHBondContact NZ-OH 3.25Å; L224-Y239 HydrophobicContact CD1-CD2 4.24Å; L224-Y239 HydrophobicContact CD1-CE2 3.51Å; L224-Y239 HydrophobicContact CG-CE2 4.27Å; L235-Y239 WeakPolarHBondContact O-CB 3.44Å; L235-Y239 PolarHBondContact O-N 3.09Å; R236-Y239 PolarHBondContact O-N 3.39Å; R237-Y239 VanDerWaalsContact C-N 3.33Å; R237-Y239 PolarHBondContact O-N 2.97Å; Y239-H243 HydrophobicContact CD2-CB 4.3Å; Y239-H243 HydrophobicContact CE2-CB 4.2Å; Y239-H243 WeakPolarHBondContact O-CB 3.47Å; Y239-H243 PolarHBondContact O-N 3.45Å; Y239-D244 HydrophobicContact CE1-CB 4.46Å; Y239-D244 WeakPolarHBondContact CE1-OD1 3.34Å; Y239-D244 WeakPolarHBondContact CE1-OD2 3.32Å; Y239-D244 PolarHBondContact O-N 3.48Å; Y239-D244 VanDerWaalsContact O-N 3.16Å; Y239-D244 PolarHBondContact OH-OD1 3.25Å
240	Q	82.2	Confident	80.6	Confident	73 Å²	73	75.5 Å²	75.5	34%	0.341	36%	0.357	S	S	.	.	H	α-helix	trans	-63.3	-47.8	176.7	-70.4	171.2	-26.9	0	0	112.7	R236 R237 H238 G245 I246	R236-Q240 WeakPolarHBondContact O-CG 3.45Å; R236-Q240 PolarHBondContact O-N 3.43Å; R237-Q240 PolarHBondContact O-N 2.83Å; H238-Q240 PolarHBondContact O-N 3.02Å; Q240-G245 PolarHBondContact O-N 3.02Å; Q240-I246 CarbonylContact C-O 3.58Å; Q240-I246 PolarHBondContact O-N 3.34Å
241	E	84	Confident	81	Confident	66 Å²	66	74.6 Å²	74.6	31%	0.308	36%	0.355	S	S	.	.	H	α-helix	trans	-74.1	-27.5	-175.3	-70.5	177.5	177.4	0	0	113.2	R237 H238 R261	R237-E241 WeakPolarHBondContact CD-OE1 3.49Å; R237-E241 HydrophobicContact CG-CG 4.11Å; R237-E241 WeakPolarHBondContact CG-OE1 3.45Å; R237-E241 WeakPolarHBondContact O-CB 3.24Å; R237-E241 WeakPolarHBondContact O-CG 3.49Å; R237-E241 PolarHBondContact O-N 2.97Å; H238-E241 PolarHBondContact O-N 3.2Å; E241-R261 IonicContact OE1-CZ 3.71Å; E241-R261 IonicContact OE1-NE 2.77Å; E241-R261 PolarHBondContact OE1-NE 2.69Å; E241-R261 IonicContact OE1-NH2 3.19Å; E241-R261 PolarHBondContact OE1-NH2 3.37Å; E241-R261 IonicContact OE2-CZ 3.51Å; E241-R261 IonicContact OE2-NE 3.12Å; E241-R261 IonicContact OE2-NH2 2.76Å; E241-R261 PolarHBondContact OE2-NH2 3.37Å
242	V	83	Confident	81.4	Confident	83 Å²	83	68.1 Å²	68.1	50%	0.503	33%	0.33	S	S	.	.	H	α-helix	trans	-108.8	-36.8	-172.2	-178.8	0	0	0	0	113.6	H238	H238-V242 WeakPolarHBondContact ND1-CG2 3.1Å; H238-V242 VanDerWaalsContact O-CB 3.3Å; H238-V242 WeakPolarHBondContact O-CB 3.35Å; H238-V242 WeakPolarHBondContact O-CG2 3.33Å; H238-V242 PolarHBondContact O-N 3.4Å
243	H	81.1	Confident	81.9	Confident	62 Å²	62	70.3 Å²	70.3	29%	0.287	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-46.9	-171.1	-64.6	-60.7	0	0	0	113.4	C222 L224 H238 Y239 G245	C222-H243 PolarHBondContact SG-NE2 3.48Å; C222-H243 VanDerWaalsContact SG-NE2 3.36Å; L224-H243 VanDerWaalsContact CB-CE1 3.49Å; L224-H243 WeakPolarHBondContact CB-CE1 3.4Å; L224-H243 HydrophobicContact CD1-CB 3.69Å; L224-H243 VanDerWaalsContact CD1-CG 3.47Å; H238-H243 AromaticContact CE1-NE2 3.98Å; H238-H243 AromaticContact NE2-NE2 3.62Å; Y239-H243 HydrophobicContact CD2-CB 4.3Å; Y239-H243 HydrophobicContact CE2-CB 4.2Å; Y239-H243 WeakPolarHBondContact O-CB 3.47Å; Y239-H243 PolarHBondContact O-N 3.45Å; H243-G245 VanDerWaalsContact C-N 3.27Å
244	D	76	Confident	81.9	Confident	63 Å²	63	70.7 Å²	70.7	34%	0.337	36%	0.362	S	S	.	.	S	Bend	trans	-79.8	-14.9	177.2	-75.3	-5.1	0	0	0	112	K90 Y239 I246	K90-D244 IonicContact NZ-OD1 3.83Å; Y239-D244 HydrophobicContact CE1-CB 4.46Å; Y239-D244 WeakPolarHBondContact CE1-OD1 3.34Å; Y239-D244 WeakPolarHBondContact CE1-OD2 3.32Å; Y239-D244 PolarHBondContact O-N 3.48Å; Y239-D244 VanDerWaalsContact O-N 3.16Å; Y239-D244 PolarHBondContact OH-OD1 3.25Å; D244-I246 HydrophobicContact CB-CB 4.49Å; D244-I246 HydrophobicContact CB-CD1 3.82Å; D244-I246 HydrophobicContact CB-CG1 3.88Å; D244-I246 PolarHBondContact O-N 3.44Å
245	G	72.7	Confident	82	Confident	59 Å²	59	69.9 Å²	69.9	61%	0.608	36%	0.364	S	S	*	.			trans	67.2	11.8	-175.4	0	0	0	0	0	113.5	Q240 H243 R247	Q240-G245 PolarHBondContact O-N 3.02Å; H243-G245 VanDerWaalsContact C-N 3.27Å; G245-R247 PolarHBondContact O-N 3.03Å
246	I	69.8	Low	82.3	Confident	98 Å²	98	76.7 Å²	76.7	50%	0.503	40%	0.395	S	S	.	.			trans	-78.1	95.7	178.1	-60.1	168.5	0	0	0	107.5	Q240 D244	Q240-I246 CarbonylContact C-O 3.58Å; Q240-I246 PolarHBondContact O-N 3.34Å; D244-I246 HydrophobicContact CB-CB 4.49Å; D244-I246 HydrophobicContact CB-CD1 3.82Å; D244-I246 HydrophobicContact CB-CG1 3.88Å; D244-I246 PolarHBondContact O-N 3.44Å
247	R	72.8	Confident	82.6	Confident	163 Å²	163	78 Å²	78	62%	0.615	40%	0.404	S	S	*	.			trans	-107.4	94.8	172.7	-171	176.7	-173.5	177.2	0.7	109.1	G245 E249 H260	G245-R247 PolarHBondContact O-N 3.03Å; R247-E249 PolarHBondContact O-N 2.93Å; R247-H260 HydrophobicContact CG-CB 4.22Å; R247-H260 VanDerWaalsContact NE-CB 3.27Å
248	E	75.8	Confident	82.9	Confident	130 Å²	130	80.1 Å²	80.1	61%	0.607	42%	0.415	S	S	*	.			trans	-68.4	123.7	176.6	-166.8	-176.6	156.9	0	0	110.3	H250 H260	E248-H250 IonicContact OE1-CE1 3.8Å; E248-H250 PolarHBondContact OE1-CE1 3.1Å; E248-H250 VanDerWaalsContact OE1-CE1 3.24Å; E248-H250 IonicContact OE1-ND1 2.93Å; E248-H260 CarbonylContact O-C 3.48Å
249	E	89.2	Confident	83.3	Confident	116 Å²	116	81.7 Å²	81.7	54%	0.542	42%	0.422	S	S	.	.			trans	-94	127.4	174.9	-59.9	-167.8	139.8	0	0	109.8	R247 K258	R247-E249 PolarHBondContact O-N 2.93Å; E249-K258 HydrophobicContact CB-CB 4.45Å; E249-K258 HydrophobicContact CB-CD 4.35Å; E249-K258 WeakPolarHBondContact OE2-CD 3.41Å; E249-K258 IonicContact OE2-NZ 3.75Å; E249-K258 PolarHBondContact OE2-NZ 2.78Å
250	H	88.6	Confident	83.5	Confident	38 Å²	38	84.4 Å²	84.4	18%	0.176	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	114	173.2	-54	-81	0	0	0	109.3	E248 K258 F259 K262 L265	E248-H250 IonicContact OE1-CE1 3.8Å; E248-H250 PolarHBondContact OE1-CE1 3.1Å; E248-H250 VanDerWaalsContact OE1-CE1 3.24Å; E248-H250 IonicContact OE1-ND1 2.93Å; H250-K258 CarbonylContact O-C 3.49Å; H250-F259 PolarHBondContact N-O 3.11Å; H250-F259 PolarHBondContact O-N 2.95Å; H250-K262 PolarHBondContact CD2-N 2.94Å; H250-K262 PolarHBondContact NE2-N 3Å; H250-K262 VanDerWaalsContact NE2-N 3.17Å; H250-L265 HydrophobicContact CB-CB 4.11Å; H250-L265 HydrophobicContact CB-CD2 3.66Å
251	Q	91.3	Very high	83.8	Confident	97 Å²	97	83.5 Å²	83.5	45%	0.453	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	139.7	-179.2	-173.7	169.4	-1.4	0	0	111.6	E256 K257 K258 L265	Q251-E256 WeakPolarHBondContact CG-O 3.24Å; Q251-K257 CarbonylContact C-O 3.19Å; Q251-K258 HydrophobicContact CB-CG 4.26Å; Q251-K258 HydrophobicContact CG-CG 4.25Å; Q251-L265 WeakPolarHBondContact O-CD2 3.41Å
252	C	86.1	Confident	83.9	Confident	1 Å²	1	87 Å²	87	1%	0.007	44%	0.442	C	S	.	.			trans	-73.5	126.7	170.2	-178.7	0	0	0	0	110.3	A254 E256 K257 F259 L265 H268 H273	C252-A254 PolarHBondContact O-N 3.19Å; C252-A254 PolarHBondContact SG-N 3.16Å; C252-A254 VanDerWaalsContact SG-N 3.44Å; C252-E256 VanDerWaalsContact O-CA 3.24Å; C252-E256 WeakPolarHBondContact O-CA 3.28Å; C252-E256 PolarHBondContact O-N 2.65Å; C252-K257 HydrophobicContact CB-CB 4.48Å; C252-K257 WeakPolarHBondContact CB-O 3.47Å; C252-K257 PolarHBondContact N-O 3.02Å; C252-F259 HydrophobicContact CB-CE2 4.33Å; C252-L265 HydrophobicContact CB-CD1 3.58Å; C252-H268 PolarHBondContact SG-NE2 3.02Å; C252-H268 VanDerWaalsContact SG-NE2 3.38Å; C252-H273 VanDerWaalsContact SG-CD2 3.57Å; C252-H273 PolarHBondContact SG-NE2 2.92Å
253	P	85.9	Confident	84.1	Confident	116 Å²	116	88.3 Å²	88.3	75%	0.753	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-21.1	179	28.2	-34.9	0	0	0	113.2
254	A	82.4	Confident	84.5	Confident	68 Å²	68	87.6 Å²	87.6	56%	0.562	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	-23.3	-174.3	0	0	0	0	0	114.7	C252	C252-A254 PolarHBondContact O-N 3.19Å; C252-A254 PolarHBondContact SG-N 3.16Å; C252-A254 VanDerWaalsContact SG-N 3.44Å
255	C	86.3	Confident	85	Confident	46 Å²	46	85.4 Å²	85.4	31%	0.311	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-140.4	14.4	179.3	72.4	0	0	0	0	114.5	K257 H268 H273	C255-K257 PolarHBondContact O-N 3.22Å; C255-H268 PolarHBondContact SG-CE1 3.37Å; C255-H268 PolarHBondContact SG-NE2 2.92Å; C255-H273 PolarHBondContact SG-NE2 3.23Å
256	E	86.2	Confident	85.5	Confident	146 Å²	146	86.2 Å²	86.2	68%	0.682	41%	0.414	S	S	*	.			trans	57.1	3.1	177.8	-60.4	-173.6	178.8	0	0	116.2	Q251 C252 K258	Q251-E256 WeakPolarHBondContact CG-O 3.24Å; C252-E256 VanDerWaalsContact O-CA 3.24Å; C252-E256 WeakPolarHBondContact O-CA 3.28Å; C252-E256 PolarHBondContact O-N 2.65Å; E256-K258 PolarHBondContact O-N 2.84Å
257	K	90.5	Very high	86.3	Confident	123 Å²	123	85.3 Å²	85.3	54%	0.535	40%	0.404	S	S	.	.			trans	-62.2	130.1	176.6	-75.3	-177.7	-178.7	175.1	0	110.6	Q251 C252 C255 F259	Q251-K257 CarbonylContact C-O 3.19Å; C252-K257 HydrophobicContact CB-CB 4.48Å; C252-K257 WeakPolarHBondContact CB-O 3.47Å; C252-K257 PolarHBondContact N-O 3.02Å; C255-K257 PolarHBondContact O-N 3.22Å; K257-F259 HydrophobicContact CB-CE2 3.71Å; K257-F259 HydrophobicContact CB-CZ 3.99Å; K257-F259 WeakPolarHBondContact O-CD2 3.44Å; K257-F259 VanDerWaalsContact O-CE2 3.3Å; K257-F259 WeakPolarHBondContact O-CE2 3.16Å
258	K	92.4	Very high	86.8	Confident	120 Å²	120	78.2 Å²	78.2	52%	0.522	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	140.8	179.5	-57.8	-169.8	-177.3	179.5	0	111.8	E249 H250 Q251 E256	E249-K258 HydrophobicContact CB-CB 4.45Å; E249-K258 HydrophobicContact CB-CD 4.35Å; E249-K258 WeakPolarHBondContact OE2-CD 3.41Å; E249-K258 IonicContact OE2-NZ 3.75Å; E249-K258 PolarHBondContact OE2-NZ 2.78Å; H250-K258 CarbonylContact O-C 3.49Å; Q251-K258 HydrophobicContact CB-CG 4.26Å; Q251-K258 HydrophobicContact CG-CG 4.25Å; E256-K258 PolarHBondContact O-N 2.84Å
259	F	91	Very high	87	Confident	42 Å²	42	74.7 Å²	74.7	18%	0.184	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	129.4	-179.2	-62	-90.3	0	0	0	109.9	H250 C252 K257 R261 K264 L265 H268	H250-F259 PolarHBondContact N-O 3.11Å; H250-F259 PolarHBondContact O-N 2.95Å; C252-F259 HydrophobicContact CB-CE2 4.33Å; K257-F259 HydrophobicContact CB-CE2 3.71Å; K257-F259 HydrophobicContact CB-CZ 3.99Å; K257-F259 WeakPolarHBondContact O-CD2 3.44Å; K257-F259 VanDerWaalsContact O-CE2 3.3Å; K257-F259 WeakPolarHBondContact O-CE2 3.16Å; F259-R261 PolarHBondContact O-N 3.29Å; F259-K264 HydrophobicContact CB-CB 4.13Å; F259-K264 HydrophobicContact CD1-CB 3.97Å; F259-K264 HydrophobicContact CG-CB 4.37Å; F259-L265 HydrophobicContact CB-CB 4.02Å; F259-L265 HydrophobicContact CD2-CB 3.83Å; F259-L265 HydrophobicContact CD2-CD1 3.66Å; F259-L265 HydrophobicContact CD2-CG 4.38Å; F259-L265 HydrophobicContact CE2-CD1 3.92Å; F259-L265 HydrophobicContact CG-CB 4.08Å; F259-H268 HydrophobicContact CE1-CB 3.73Å; F259-H268 HydrophobicContact CE2-CB 3.86Å; F259-H268 AromaticContact CE2-CD2 3.31Å; F259-H268 WeakPolarHBondContact CE2-CD2 3.49Å; F259-H268 AromaticContact CE2-CG 3.61Å; F259-H268 HydrophobicContact CZ-CB 3.31Å; F259-H268 AromaticContact CZ-CD2 3.4Å; F259-H268 VanDerWaalsContact CZ-CD2 3.4Å; F259-H268 WeakPolarHBondContact CZ-CD2 2.97Å; F259-H268 AromaticContact CZ-CG 3.17Å; F259-H268 AromaticContact CZ-ND1 3.79Å
260	H	86.6	Confident	86.5	Confident	62 Å²	62	72.4 Å²	72.4	29%	0.287	36%	0.359	S	S	.	.	S	Bend	trans	-64.7	-6.3	178.6	70.5	-79.1	0	0	0	115.4	R247 E248	R247-H260 HydrophobicContact CG-CB 4.22Å; R247-H260 VanDerWaalsContact NE-CB 3.27Å; E248-H260 CarbonylContact O-C 3.48Å
261	R	88.3	Confident	85.8	Confident	55 Å²	55	73.8 Å²	73.8	21%	0.208	37%	0.366	C	S	.	.	S	Bend	trans	-145.6	137.3	178.7	-75.8	177.3	-171.9	162.2	2.2	111.3	E241 F259 Y263 K264 L265	E241-R261 IonicContact OE1-CZ 3.71Å; E241-R261 IonicContact OE1-NE 2.77Å; E241-R261 PolarHBondContact OE1-NE 2.69Å; E241-R261 IonicContact OE1-NH2 3.19Å; E241-R261 PolarHBondContact OE1-NH2 3.37Å; E241-R261 IonicContact OE2-CZ 3.51Å; E241-R261 IonicContact OE2-NE 3.12Å; E241-R261 IonicContact OE2-NH2 2.76Å; E241-R261 PolarHBondContact OE2-NH2 3.37Å; F259-R261 PolarHBondContact O-N 3.29Å; R261-Y263 VanDerWaalsContact C-N 3.32Å; R261-Y263 HydrophobicContact CB-CD1 3.81Å; R261-Y263 HydrophobicContact CB-CE1 3.9Å; R261-Y263 HydrophobicContact CG-CE1 4.36Å; R261-Y263 PolarHBondContact O-N 3.46Å; R261-K264 HydrophobicContact CB-CG 4.17Å; R261-K264 WeakPolarHBondContact O-CB 3.32Å; R261-K264 PolarHBondContact O-N 3.18Å; R261-L265 PolarHBondContact O-N 2.89Å
262	K	86.6	Confident	85	Confident	139 Å²	139	73.4 Å²	73.4	60%	0.604	37%	0.37	S	S	*	.	H	α-helix	trans	-53.4	-43.7	-179.6	-172.6	173	-178	174.1	0	113.7	H250 K264 L265 N266	H250-K262 PolarHBondContact CD2-N 2.94Å; H250-K262 PolarHBondContact NE2-N 3Å; H250-K262 VanDerWaalsContact NE2-N 3.17Å; K262-K264 VanDerWaalsContact C-N 3.25Å; K262-K264 PolarHBondContact O-N 3.37Å; K262-L265 WeakPolarHBondContact O-CB 3.49Å; K262-L265 PolarHBondContact O-N 3.47Å; K262-L265 VanDerWaalsContact O-N 3.17Å; K262-N266 PolarHBondContact O-N 2.82Å
263	Y	86.7	Confident	84.5	Confident	111 Å²	111	75.8 Å²	75.8	44%	0.435	38%	0.381	S	S	.	.	H	α-helix	trans	-65.4	-28.8	179.2	88.9	-87.2	0	0	0	113	R261 R267	R261-Y263 VanDerWaalsContact C-N 3.32Å; R261-Y263 HydrophobicContact CB-CD1 3.81Å; R261-Y263 HydrophobicContact CB-CE1 3.9Å; R261-Y263 HydrophobicContact CG-CE1 4.36Å; R261-Y263 PolarHBondContact O-N 3.46Å; Y263-R267 VanDerWaalsContact O-CB 3.23Å; Y263-R267 WeakPolarHBondContact O-CB 3.34Å; Y263-R267 PolarHBondContact O-N 3.1Å
264	K	88.8	Confident	83.5	Confident	46 Å²	46	77 Å²	77	20%	0.2	37%	0.37	C	S	.	.	H	α-helix	trans	-71.4	-39.8	175.3	-67.6	-64.8	-161.9	-170.3	0	110.7	F259 R261 K262 H268	F259-K264 HydrophobicContact CB-CB 4.13Å; F259-K264 HydrophobicContact CD1-CB 3.97Å; F259-K264 HydrophobicContact CG-CB 4.37Å; R261-K264 HydrophobicContact CB-CG 4.17Å; R261-K264 WeakPolarHBondContact O-CB 3.32Å; R261-K264 PolarHBondContact O-N 3.18Å; K262-K264 VanDerWaalsContact C-N 3.25Å; K262-K264 PolarHBondContact O-N 3.37Å; K264-H268 WeakPolarHBondContact O-CB 3.32Å; K264-H268 PolarHBondContact O-N 3.44Å
265	L	87.5	Confident	82.1	Confident	17 Å²	17	80.3 Å²	80.3	9%	0.089	38%	0.383	C	S	.	.	H	α-helix	trans	-60.3	-53.8	171.4	168.3	61.4	0	0	0	111	H250 Q251 C252 F259 R261 K262 R267 H268 I269	H250-L265 HydrophobicContact CB-CB 4.11Å; H250-L265 HydrophobicContact CB-CD2 3.66Å; Q251-L265 WeakPolarHBondContact O-CD2 3.41Å; C252-L265 HydrophobicContact CB-CD1 3.58Å; F259-L265 HydrophobicContact CB-CB 4.02Å; F259-L265 HydrophobicContact CD2-CB 3.83Å; F259-L265 HydrophobicContact CD2-CD1 3.66Å; F259-L265 HydrophobicContact CD2-CG 4.38Å; F259-L265 HydrophobicContact CE2-CD1 3.92Å; F259-L265 HydrophobicContact CG-CB 4.08Å; R261-L265 PolarHBondContact O-N 2.89Å; K262-L265 WeakPolarHBondContact O-CB 3.49Å; K262-L265 PolarHBondContact O-N 3.47Å; K262-L265 VanDerWaalsContact O-N 3.17Å; L265-R267 VanDerWaalsContact C-N 3.28Å; L265-R267 PolarHBondContact O-N 2.91Å; L265-H268 WeakPolarHBondContact O-CA 3.19Å; L265-H268 WeakPolarHBondContact O-CB 3.03Å; L265-H268 PolarHBondContact O-N 3.08Å; L265-I269 HydrophobicContact CD1-CD1 3.83Å; L265-I269 HydrophobicContact CD1-CG1 4Å; L265-I269 HydrophobicContact CG-CD1 3.98Å; L265-I269 WeakPolarHBondContact O-CG1 3.33Å; L265-I269 PolarHBondContact O-N 3.36Å
266	N	83.6	Confident	80.3	Confident	77 Å²	77	85.9 Å²	85.9	41%	0.412	40%	0.402	S	S	.	.	H	α-helix	trans	-57.5	-44.7	-179.3	-71.9	2	0	0	0	111.2	K262 H268 I269 S270	K262-N266 PolarHBondContact O-N 2.82Å; N266-H268 VanDerWaalsContact C-N 3.3Å; N266-H268 PolarHBondContact O-N 2.96Å; N266-I269 PolarHBondContact O-N 3.02Å; N266-S270 WeakPolarHBondContact O-CB 3.36Å; N266-S270 PolarHBondContact O-N 3.48Å; N266-S270 PolarHBondContact O-OG 3.28Å; N266-S270 VanDerWaalsContact O-OG 3.07Å
267	R	85.2	Confident	78.2	Confident	79 Å²	79	82 Å²	82	30%	0.298	40%	0.402	S	S	.	.	H	α-helix	trans	-59	-41.9	174.5	-177.6	-177.8	67.4	166.8	13.9	112.2	Y263 L265 S270 E271	Y263-R267 VanDerWaalsContact O-CB 3.23Å; Y263-R267 WeakPolarHBondContact O-CB 3.34Å; Y263-R267 PolarHBondContact O-N 3.1Å; L265-R267 VanDerWaalsContact C-N 3.28Å; L265-R267 PolarHBondContact O-N 2.91Å; R267-S270 PolarHBondContact O-N 3.48Å; R267-E271 WeakPolarHBondContact CD-OE1 3.38Å; R267-E271 HydrophobicContact CG-CG 4.31Å; R267-E271 WeakPolarHBondContact CG-OE1 3.31Å; R267-E271 VanDerWaalsContact O-CB 3.32Å; R267-E271 WeakPolarHBondContact O-CB 3.4Å; R267-E271 VanDerWaalsContact O-CG 3.28Å; R267-E271 WeakPolarHBondContact O-CG 3.21Å; R267-E271 PolarHBondContact O-N 2.72Å
268	H	84.1	Confident	75.9	Confident	14 Å²	14	82.6 Å²	82.6	7%	0.065	42%	0.422	C	S	.	.	H	α-helix	trans	-62.5	-45.3	175.8	157.4	68.7	0	0	0	111.9	C252 C255 F259 K264 L265 N266 S270 E271 V272 H273	C252-H268 PolarHBondContact SG-NE2 3.02Å; C252-H268 VanDerWaalsContact SG-NE2 3.38Å; C255-H268 PolarHBondContact SG-CE1 3.37Å; C255-H268 PolarHBondContact SG-NE2 2.92Å; F259-H268 HydrophobicContact CE1-CB 3.73Å; F259-H268 HydrophobicContact CE2-CB 3.86Å; F259-H268 AromaticContact CE2-CD2 3.31Å; F259-H268 WeakPolarHBondContact CE2-CD2 3.49Å; F259-H268 AromaticContact CE2-CG 3.61Å; F259-H268 HydrophobicContact CZ-CB 3.31Å; F259-H268 AromaticContact CZ-CD2 3.4Å; F259-H268 VanDerWaalsContact CZ-CD2 3.4Å; F259-H268 WeakPolarHBondContact CZ-CD2 2.97Å; F259-H268 AromaticContact CZ-CG 3.17Å; F259-H268 AromaticContact CZ-ND1 3.79Å; K264-H268 WeakPolarHBondContact O-CB 3.32Å; K264-H268 PolarHBondContact O-N 3.44Å; L265-H268 WeakPolarHBondContact O-CA 3.19Å; L265-H268 WeakPolarHBondContact O-CB 3.03Å; L265-H268 PolarHBondContact O-N 3.08Å; N266-H268 VanDerWaalsContact C-N 3.3Å; N266-H268 PolarHBondContact O-N 2.96Å; H268-S270 VanDerWaalsContact C-N 3.33Å; H268-S270 PolarHBondContact O-N 2.87Å; H268-E271 PolarHBondContact O-N 3.09Å; H268-V272 WeakPolarHBondContact ND1-CG2 3.3Å; H268-V272 WeakPolarHBondContact O-CB 3.23Å; H268-V272 PolarHBondContact O-N 3.4Å; H268-H273 AromaticContact CE1-CD2 3.95Å; H268-H273 AromaticContact CE1-NE2 3.55Å; H268-H273 AromaticContact NE2-CD2 3.58Å; H268-H273 AromaticContact NE2-NE2 3.26Å; H268-H273 PolarHBondContact NE2-NE2 2.97Å
269	I	80.6	Confident	73.4	Confident	56 Å²	56	80.8 Å²	80.8	29%	0.287	42%	0.424	S	S	.	.	H	α-helix	trans	-59.5	-46.8	175.7	-63.2	169.7	0	0	0	110.1	L265 N266 E271 H273	L265-I269 HydrophobicContact CD1-CD1 3.83Å; L265-I269 HydrophobicContact CD1-CG1 4Å; L265-I269 HydrophobicContact CG-CD1 3.98Å; L265-I269 WeakPolarHBondContact O-CG1 3.33Å; L265-I269 PolarHBondContact O-N 3.36Å; N266-I269 PolarHBondContact O-N 3.02Å; I269-E271 VanDerWaalsContact C-N 3.28Å; I269-E271 PolarHBondContact O-N 2.85Å; I269-H273 HydrophobicContact CG2-CB 4.23Å; I269-H273 CarbonylContact O-C 3.57Å; I269-H273 WeakPolarHBondContact O-CA 3.37Å; I269-H273 WeakPolarHBondContact O-CB 3.18Å; I269-H273 PolarHBondContact O-N 3.3Å
270	S	77	Confident	71.1	Confident	67 Å²	67	85.5 Å²	85.5	47%	0.469	46%	0.456	S	S	.	.	H	α-helix	trans	-69.3	-17.6	179.6	-57.9	0	0	0	0	115	N266 R267 H268 R274	N266-S270 WeakPolarHBondContact O-CB 3.36Å; N266-S270 PolarHBondContact O-N 3.48Å; N266-S270 PolarHBondContact O-OG 3.28Å; N266-S270 VanDerWaalsContact O-OG 3.07Å; R267-S270 PolarHBondContact O-N 3.48Å; H268-S270 VanDerWaalsContact C-N 3.33Å; H268-S270 PolarHBondContact O-N 2.87Å; S270-R274 WeakPolarHBondContact O-CD 3.49Å; S270-R274 WeakPolarHBondContact O-CG 3.05Å; S270-R274 PolarHBondContact O-NE 3.03Å
271	E	74.8	Confident	69.2	Low	67 Å²	67	89.5 Å²	89.5	31%	0.313	48%	0.479	S	S	.	.	H	α-helix	trans	-101.7	-32.3	179.7	-75	172.4	-168.5	0	0	112.7	R267 H268 I269 R297	R267-E271 WeakPolarHBondContact CD-OE1 3.38Å; R267-E271 HydrophobicContact CG-CG 4.31Å; R267-E271 WeakPolarHBondContact CG-OE1 3.31Å; R267-E271 VanDerWaalsContact O-CB 3.32Å; R267-E271 WeakPolarHBondContact O-CB 3.4Å; R267-E271 VanDerWaalsContact O-CG 3.28Å; R267-E271 WeakPolarHBondContact O-CG 3.21Å; R267-E271 PolarHBondContact O-N 2.72Å; H268-E271 PolarHBondContact O-N 3.09Å; I269-E271 VanDerWaalsContact C-N 3.28Å; I269-E271 PolarHBondContact O-N 2.85Å; E271-R297 WeakPolarHBondContact OE1-CD 3.45Å; E271-R297 VanDerWaalsContact OE1-CG 3.23Å; E271-R297 WeakPolarHBondContact OE1-CG 3.35Å; E271-R297 IonicContact OE1-CZ 3.54Å; E271-R297 IonicContact OE1-NE 2.69Å; E271-R297 PolarHBondContact OE1-NE 3.4Å; E271-R297 IonicContact OE1-NH2 3.52Å; E271-R297 IonicContact OE2-CZ 3.47Å; E271-R297 IonicContact OE2-NE 3.3Å; E271-R297 PolarHBondContact OE2-NE 3.07Å; E271-R297 IonicContact OE2-NH2 2.79Å; E271-R297 PolarHBondContact OE2-NH2 3.02Å
272	V	74.2	Confident	67.4	Low	89 Å²	89	91.6 Å²	91.6	54%	0.539	51%	0.508	S	S	.	.	H	α-helix	trans	-108.9	-33.5	-172	-178.6	0	0	0	0	112.3	H268	H268-V272 WeakPolarHBondContact ND1-CG2 3.3Å; H268-V272 WeakPolarHBondContact O-CB 3.23Å; H268-V272 PolarHBondContact O-N 3.4Å
273	H	74.9	Confident	66	Low	52 Å²	52	86.6 Å²	86.6	24%	0.241	50%	0.496	C	S	.	.			trans	-110.9	28.6	-173.9	-60.5	-59.3	0	0	0	112.5	C252 C255 H268 I269 V275	C252-H273 VanDerWaalsContact SG-CD2 3.57Å; C252-H273 PolarHBondContact SG-NE2 2.92Å; C255-H273 PolarHBondContact SG-NE2 3.23Å; H268-H273 AromaticContact CE1-CD2 3.95Å; H268-H273 AromaticContact CE1-NE2 3.55Å; H268-H273 AromaticContact NE2-CD2 3.58Å; H268-H273 AromaticContact NE2-NE2 3.26Å; H268-H273 PolarHBondContact NE2-NE2 2.97Å; I269-H273 HydrophobicContact CG2-CB 4.23Å; I269-H273 CarbonylContact O-C 3.57Å; I269-H273 WeakPolarHBondContact O-CA 3.37Å; I269-H273 WeakPolarHBondContact O-CB 3.18Å; I269-H273 PolarHBondContact O-N 3.3Å; H273-V275 PolarHBondContact O-N 3.28Å
274	R	65.3	Low	64.8	Low	140 Å²	140	86.7 Å²	86.7	53%	0.528	50%	0.498	S	S	.	.			trans	-59.1	113.6	174.9	-76	-165.9	176.5	173	-5.1	109.7	S270	S270-R274 WeakPolarHBondContact O-CD 3.49Å; S270-R274 WeakPolarHBondContact O-CG 3.05Å; S270-R274 PolarHBondContact O-NE 3.03Å
275	V	53.1	Low	63.7	Low	139 Å²	139	87.1 Å²	87.1	84%	0.842	51%	0.506	S	S	*	.			trans	-101.9	94.5	162.7	-178.3	0	0	0	0	105.2	H273	H273-V275 PolarHBondContact O-N 3.28Å
276	F	48.4	Very low	62.9	Low	162 Å²	162	88.7 Å²	88.7	71%	0.711	51%	0.512	S	S	*	.			trans	-101.3	142.8	157.6	-92.6	-89.9	0	0	0	106.6	S278	F276-S278 PolarHBondContact O-N 3.46Å
277	G	43.5	Very low	62.7	Low	66 Å²	66	88.3 Å²	88.3	68%	0.68	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-33.4	122.2	-173.9	0	0	0	0	0	113.9	S279	G277-S279 PolarHBondContact O-N 3.22Å
278	S	41.5	Very low	62.4	Low	134 Å²	134	84.5 Å²	84.5	94%	0.937	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	-3.9	167.9	56.1	0	0	0	0	120.5	F276	F276-S278 PolarHBondContact O-N 3.46Å
279	S	39.4	Very low	62.2	Low	82 Å²	82	87.2 Å²	87.2	57%	0.573	51%	0.514	S	S	*	.			trans	-130.1	118.9	178.6	-89.6	0	0	0	0	113.3	G277 L281	G277-S279 PolarHBondContact O-N 3.22Å; S279-L281 PolarHBondContact O-N 3.49Å
280	V	42.4	Very low	62.3	Low	142 Å²	142	89.4 Å²	89.4	86%	0.861	52%	0.52	S	S	*	.			trans	-76.5	74.7	169.2	-173.7	0	0	0	0	108.2	A282	V280-A282 VanDerWaalsContact C-N 3.28Å; V280-A282 HydrophobicContact CG1-CB 4.47Å; V280-A282 PolarHBondContact O-N 3.12Å; V280-A282 VanDerWaalsContact O-N 3.11Å
281	L	46.9	Very low	62.6	Low	146 Å²	146	88.8 Å²	88.8	76%	0.764	52%	0.515	S	S	*	.			trans	-74.7	96.8	153	-100.1	85.9	0	0	0	106.3	S279 G283	S279-L281 PolarHBondContact O-N 3.49Å; L281-G283 PolarHBondContact O-N 3.49Å
282	A	51.3	Low	62.8	Low	98 Å²	98	95.1 Å²	95.1	81%	0.81	54%	0.536	S	S	*	.			trans	-63.1	13.6	165	0	0	0	0	0	112.7	V280 K284	V280-A282 VanDerWaalsContact C-N 3.28Å; V280-A282 HydrophobicContact CG1-CB 4.47Å; V280-A282 PolarHBondContact O-N 3.12Å; V280-A282 VanDerWaalsContact O-N 3.11Å; A282-K284 PolarHBondContact O-N 3.42Å
283	G	56.4	Low	63.1	Low	35 Å²	35	97.9 Å²	97.9	36%	0.361	54%	0.537	S	S	.	.			trans	-75.9	116.2	-168.7	0	0	0	0	0	111.2	L281 P285	L281-G283 PolarHBondContact O-N 3.49Å; G283-P285 VanDerWaalsContact O-CD 3.24Å; G283-P285 WeakPolarHBondContact O-CD 3.23Å
284	K	62.1	Low	63.3	Low	112 Å²	112	100.6 Å²	100.6	49%	0.487	55%	0.549	S	S	.	.			trans	-43.2	106.2	154.8	-71.3	168.3	-173.9	170	0	109.3	A282 F286 E294 F295 A296	A282-K284 PolarHBondContact O-N 3.42Å; K284-F286 VanDerWaalsContact C-N 3.3Å; K284-F286 PolarHBondContact O-N 3.46Å; K284-E294 HydrophobicContact CB-CB 3.68Å; K284-E294 HydrophobicContact CD-CB 3.76Å; K284-E294 HydrophobicContact CG-CB 4.42Å; K284-F295 CarbonylContact C-O 3.53Å; K284-F295 VanDerWaalsContact C-O 3.31Å; K284-F295 VanDerWaalsContact CB-C 3.47Å; K284-A296 HydrophobicContact CG-CB 4.11Å
285	P	65.5	Low	63.8	Low	55 Å²	55	95.5 Å²	95.5	36%	0.357	53%	0.531	S	S	.	.	S	Bend	trans	-73.4	-18.6	-161.9	26.2	-34.4	0	0	0	114.3	G283	G283-P285 VanDerWaalsContact O-CD 3.24Å; G283-P285 WeakPolarHBondContact O-CD 3.23Å
286	F	70.9	Confident	64.8	Low	51 Å²	51	91 Å²	91	22%	0.224	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	108.2	-176.6	-58.9	-84.5	0	0	0	109.8	K284 E294 F295 E298 Y301	K284-F286 VanDerWaalsContact C-N 3.3Å; K284-F286 PolarHBondContact O-N 3.46Å; F286-E294 CarbonylContact O-C 3.58Å; F286-E294 WeakPolarHBondContact O-CA 3.03Å; F286-F295 HydrophobicContact CB-CB 4.12Å; F286-F295 PolarHBondContact N-O 3.33Å; F286-F295 VanDerWaalsContact N-O 3.15Å; F286-F295 WeakPolarHBondContact O-CD2 3.34Å; F286-F295 PolarHBondContact O-N 2.8Å; F286-E298 HydrophobicContact CD1-CB 4.25Å; F286-E298 HydrophobicContact CD1-CG 4.23Å; F286-E298 HydrophobicContact CD2-CB 4.31Å; F286-E298 VanDerWaalsContact CD2-N 3.27Å; F286-E298 HydrophobicContact CE1-CB 3.62Å; F286-E298 HydrophobicContact CE1-CG 3.56Å; F286-E298 HydrophobicContact CE2-CB 3.7Å; F286-E298 HydrophobicContact CZ-CB 3.33Å; F286-E298 HydrophobicContact CZ-CG 3.77Å; F286-Y301 HydrophobicContact CB-CD1 4.18Å; F286-Y301 HydrophobicContact CB-CD2 4.14Å; F286-Y301 HydrophobicContact CB-CG 3.71Å; F286-Y301 HydrophobicContact CD1-CD1 4.09Å; F286-Y301 HydrophobicContact CD1-CG 4.46Å; F286-Y301 HydrophobicContact CG-CD1 4.46Å; F286-Y301 HydrophobicContact CG-CG 4.38Å
287	L	79.5	Confident	65.8	Low	68 Å²	68	86.5 Å²	86.5	36%	0.356	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	130.2	178	-176	70.7	0	0	0	110	P289 R292 E294 Y301	L287-P289 WeakPolarHBondContact O-CD 3.29Å; L287-R292 VanDerWaalsContact CD1-C 3.45Å; L287-R292 HydrophobicContact CD1-CB 4.17Å; L287-R292 WeakPolarHBondContact CD1-O 3.21Å; L287-E294 HydrophobicContact CD1-CG 3.64Å; L287-Y301 WeakPolarHBondContact O-CE2 3.46Å
288	C	79.8	Confident	67.2	Low	0 Å²	0	88.7 Å²	88.7	0%	0	48%	0.479	C	S	.	.			trans	-68.3	118.9	168.8	-178.1	0	0	0	0	111.2	Y290 C291 R292 R293 F295 Y301 H304	C288-Y290 PolarHBondContact O-N 3.39Å; C288-Y290 PolarHBondContact SG-N 3.38Å; C288-Y290 VanDerWaalsContact SG-N 3.44Å; C288-C291 PolarHBondContact SG-N 3.49Å; C288-R292 WeakPolarHBondContact O-CA 3.43Å; C288-R292 PolarHBondContact O-N 2.79Å; C288-R293 HydrophobicContact CB-CB 4.44Å; C288-R293 PolarHBondContact N-O 2.98Å; C288-F295 HydrophobicContact CB-CE2 4.2Å; C288-Y301 HydrophobicContact CB-CE2 4.46Å; C288-H304 WeakPolarHBondContact CB-NE2 3.14Å; C288-H304 PolarHBondContact SG-NE2 3.2Å
289	P	78.7	Confident	68.8	Low	71 Å²	71	89.3 Å²	89.3	46%	0.461	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-28.5	177.8	25.2	-32.9	0	0	0	112.4	L287 V318	L287-P289 WeakPolarHBondContact O-CD 3.29Å; P289-V318 HydrophobicContact CG-CG1 4.31Å; P289-V318 HydrophobicContact CG-CG2 4.3Å
290	Y	82.1	Confident	70.7	Confident	102 Å²	102	86.7 Å²	86.7	40%	0.4	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-35.9	-175.7	-51.8	-70.7	0	0	0	114	C288 L305 H309 C312	C288-Y290 PolarHBondContact O-N 3.39Å; C288-Y290 PolarHBondContact SG-N 3.38Å; C288-Y290 VanDerWaalsContact SG-N 3.44Å; Y290-L305 HydrophobicContact CD2-CD2 3.83Å; Y290-L305 HydrophobicContact CE2-CD2 3.89Å; Y290-H309 WeakPolarHBondContact CB-CE1 3.22Å; Y290-H309 HydrophobicContact CD2-CB 3.76Å; Y290-H309 AromaticContact CD2-CD2 3.77Å; Y290-H309 AromaticContact CD2-CG 3.5Å; Y290-H309 AromaticContact CD2-ND1 3.89Å; Y290-H309 HydrophobicContact CE2-CB 4.01Å; Y290-H309 HydrophobicContact CG-CB 4.49Å; Y290-H309 AromaticContact CG-CG 3.96Å; Y290-H309 AromaticContact CG-ND1 3.84Å; Y290-C312 HydrophobicContact CE1-CB 3.91Å; Y290-C312 HydrophobicContact CE2-CB 4.09Å; Y290-C312 PolarHBondContact OH-O 3.14Å
291	C	84.9	Confident	72.5	Confident	54 Å²	54	80.5 Å²	80.5	37%	0.365	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	2	-177.5	72.7	0	0	0	0	114.7	C288 R293 H304	C288-C291 PolarHBondContact SG-N 3.49Å; C291-R293 PolarHBondContact O-N 2.49Å; C291-H304 PolarHBondContact SG-CE1 2.99Å; C291-H304 PolarHBondContact SG-NE2 3.14Å
292	R	78.6	Confident	74.1	Confident	200 Å²	200	77.9 Å²	77.9	76%	0.755	39%	0.388	S	S	*	.			trans	53.6	24	-178.1	-59.4	-173.5	177.4	-137.9	0.8	114.5	L287 C288	L287-R292 VanDerWaalsContact CD1-C 3.45Å; L287-R292 HydrophobicContact CD1-CB 4.17Å; L287-R292 WeakPolarHBondContact CD1-O 3.21Å; C288-R292 WeakPolarHBondContact O-CA 3.43Å; C288-R292 PolarHBondContact O-N 2.79Å
293	R	80.8	Confident	75.6	Confident	147 Å²	147	78 Å²	78	56%	0.555	37%	0.372	S	S	*	.			trans	-72	133.7	168.9	-79.5	-176.6	176.3	-177.9	0.8	110.4	C288 C291 F295	C288-R293 HydrophobicContact CB-CB 4.44Å; C288-R293 PolarHBondContact N-O 2.98Å; C291-R293 PolarHBondContact O-N 2.49Å; R293-F295 HydrophobicContact CB-CE2 3.7Å; R293-F295 HydrophobicContact CB-CZ 3.82Å; R293-F295 WeakPolarHBondContact O-CD2 3.47Å; R293-F295 VanDerWaalsContact O-CE2 3.26Å; R293-F295 WeakPolarHBondContact O-CE2 3.46Å
294	E	78.1	Confident	77	Confident	108 Å²	108	77 Å²	77	51%	0.505	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	138	178.3	-60.8	171.2	-161.4	0	0	111.7	K284 F286 L287	K284-E294 HydrophobicContact CB-CB 3.68Å; K284-E294 HydrophobicContact CD-CB 3.76Å; K284-E294 HydrophobicContact CG-CB 4.42Å; F286-E294 CarbonylContact O-C 3.58Å; F286-E294 WeakPolarHBondContact O-CA 3.03Å; L287-E294 HydrophobicContact CD1-CG 3.64Å
295	F	77.1	Confident	77.9	Confident	33 Å²	33	71.9 Å²	71.9	15%	0.145	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	132.1	179.7	-57	-92	0	0	0	110.4	K284 F286 C288 R293 R297 Y301 H304	K284-F295 CarbonylContact C-O 3.53Å; K284-F295 VanDerWaalsContact C-O 3.31Å; K284-F295 VanDerWaalsContact CB-C 3.47Å; F286-F295 HydrophobicContact CB-CB 4.12Å; F286-F295 PolarHBondContact N-O 3.33Å; F286-F295 VanDerWaalsContact N-O 3.15Å; F286-F295 WeakPolarHBondContact O-CD2 3.34Å; F286-F295 PolarHBondContact O-N 2.8Å; C288-F295 HydrophobicContact CB-CE2 4.2Å; R293-F295 HydrophobicContact CB-CE2 3.7Å; R293-F295 HydrophobicContact CB-CZ 3.82Å; R293-F295 WeakPolarHBondContact O-CD2 3.47Å; R293-F295 VanDerWaalsContact O-CE2 3.26Å; R293-F295 WeakPolarHBondContact O-CE2 3.46Å; F295-R297 PolarHBondContact O-N 3.17Å; F295-Y301 AromaticContact CD2-CD2 3.89Å; F295-Y301 HydrophobicContact CD2-CD2 3.89Å; F295-Y301 HydrophobicContact CD2-CG 4.4Å; F295-Y301 HydrophobicContact CE2-CD2 4.25Å; F295-H304 HydrophobicContact CE1-CB 3.62Å; F295-H304 AromaticContact CE1-CG 4Å; F295-H304 HydrophobicContact CE2-CB 4.05Å; F295-H304 AromaticContact CE2-CD2 3.47Å; F295-H304 VanDerWaalsContact CE2-CD2 3.47Å; F295-H304 WeakPolarHBondContact CE2-CD2 3.48Å; F295-H304 AromaticContact CE2-CG 3.79Å; F295-H304 HydrophobicContact CZ-CB 3.31Å; F295-H304 AromaticContact CZ-CD2 3.38Å; F295-H304 WeakPolarHBondContact CZ-CD2 3.36Å; F295-H304 AromaticContact CZ-CG 3.18Å; F295-H304 AromaticContact CZ-ND1 3.83Å
296	A	73.5	Confident	78.7	Confident	45 Å²	45	75.4 Å²	75.4	37%	0.372	35%	0.347	S	S	.	.	S	Bend	trans	-67.9	-20.9	174.5	0	0	0	0	0	112.5	K284	K284-A296 HydrophobicContact CG-CB 4.11Å
297	R	70.2	Confident	79.4	Confident	68 Å²	68	80.1 Å²	80.1	26%	0.257	37%	0.368	S	S	.	.	S	Bend	trans	-130.6	140.1	-171.3	-64.5	-179.3	-179.4	142.5	15.8	111.5	E271 F295 W299 S300 Y301	E271-R297 WeakPolarHBondContact OE1-CD 3.45Å; E271-R297 VanDerWaalsContact OE1-CG 3.23Å; E271-R297 WeakPolarHBondContact OE1-CG 3.35Å; E271-R297 IonicContact OE1-CZ 3.54Å; E271-R297 IonicContact OE1-NE 2.69Å; E271-R297 PolarHBondContact OE1-NE 3.4Å; E271-R297 IonicContact OE1-NH2 3.52Å; E271-R297 IonicContact OE2-CZ 3.47Å; E271-R297 IonicContact OE2-NE 3.3Å; E271-R297 PolarHBondContact OE2-NE 3.07Å; E271-R297 IonicContact OE2-NH2 2.79Å; E271-R297 PolarHBondContact OE2-NH2 3.02Å; F295-R297 PolarHBondContact O-N 3.17Å; R297-W299 VanDerWaalsContact CD-NE1 3.28Å; R297-S300 PolarHBondContact O-N 3.48Å; R297-Y301 PolarHBondContact O-N 3.04Å; R297-Y301 VanDerWaalsContact O-N 3.07Å
298	E	71.6	Confident	79.6	Confident	112 Å²	112	83.2 Å²	83.2	52%	0.523	38%	0.375	S	S	.	.	H	α-helix	trans	-58.6	-49.6	176	-167.6	172.3	179.7	0	0	112.1	F286 S300 Y301 H302	F286-E298 HydrophobicContact CD1-CB 4.25Å; F286-E298 HydrophobicContact CD1-CG 4.23Å; F286-E298 HydrophobicContact CD2-CB 4.31Å; F286-E298 VanDerWaalsContact CD2-N 3.27Å; F286-E298 HydrophobicContact CE1-CB 3.62Å; F286-E298 HydrophobicContact CE1-CG 3.56Å; F286-E298 HydrophobicContact CE2-CB 3.7Å; F286-E298 HydrophobicContact CZ-CB 3.33Å; F286-E298 HydrophobicContact CZ-CG 3.77Å; E298-S300 VanDerWaalsContact C-N 3.25Å; E298-S300 PolarHBondContact O-N 3.45Å; E298-Y301 WeakPolarHBondContact O-CB 3.42Å; E298-Y301 PolarHBondContact O-N 3.05Å; E298-Y301 VanDerWaalsContact O-N 3.11Å; E298-H302 PolarHBondContact O-CD2 3.37Å; E298-H302 VanDerWaalsContact O-CD2 3.24Å; E298-H302 PolarHBondContact O-N 3.21Å
299	W	74.9	Confident	79.6	Confident	146 Å²	146	84.6 Å²	84.6	55%	0.553	38%	0.382	S	S	*	.	H	α-helix	trans	-62.1	-34.8	-179.3	88.4	-84.8	0	0	0	112.3	R297 Q303	R297-W299 VanDerWaalsContact CD-NE1 3.28Å; W299-Q303 HydrophobicContact CE3-CB 4.43Å; W299-Q303 HydrophobicContact CZ3-CB 4.43Å; W299-Q303 VanDerWaalsContact O-CB 3.29Å; W299-Q303 WeakPolarHBondContact O-CB 3.42Å; W299-Q303 PolarHBondContact O-N 2.75Å
300	S	80	Confident	79.4	Confident	28 Å²	28	84.9 Å²	84.9	20%	0.196	38%	0.38	C	S	.	.	H	α-helix	trans	-71.7	-35.7	178.2	-60.5	0	0	0	0	111.4	R297 E298 H304	R297-S300 PolarHBondContact O-N 3.48Å; E298-S300 VanDerWaalsContact C-N 3.25Å; E298-S300 PolarHBondContact O-N 3.45Å; S300-H304 WeakPolarHBondContact O-CB 3.22Å; S300-H304 PolarHBondContact O-N 3.02Å
301	Y	79.5	Confident	78.7	Confident	12 Å²	12	87 Å²	87	5%	0.047	40%	0.398	C	S	.	.	H	α-helix	trans	-63.6	-50.4	171.2	162.8	-109.5	0	0	0	111.9	F286 L287 C288 F295 R297 E298 Q303 H304 L305 V318	F286-Y301 HydrophobicContact CB-CD1 4.18Å; F286-Y301 HydrophobicContact CB-CD2 4.14Å; F286-Y301 HydrophobicContact CB-CG 3.71Å; F286-Y301 HydrophobicContact CD1-CD1 4.09Å; F286-Y301 HydrophobicContact CD1-CG 4.46Å; F286-Y301 HydrophobicContact CG-CD1 4.46Å; F286-Y301 HydrophobicContact CG-CG 4.38Å; L287-Y301 WeakPolarHBondContact O-CE2 3.46Å; C288-Y301 HydrophobicContact CB-CE2 4.46Å; F295-Y301 AromaticContact CD2-CD2 3.89Å; F295-Y301 HydrophobicContact CD2-CD2 3.89Å; F295-Y301 HydrophobicContact CD2-CG 4.4Å; F295-Y301 HydrophobicContact CE2-CD2 4.25Å; R297-Y301 PolarHBondContact O-N 3.04Å; R297-Y301 VanDerWaalsContact O-N 3.07Å; E298-Y301 WeakPolarHBondContact O-CB 3.42Å; E298-Y301 PolarHBondContact O-N 3.05Å; E298-Y301 VanDerWaalsContact O-N 3.11Å; Y301-Q303 PolarHBondContact O-N 3.09Å; Y301-H304 WeakPolarHBondContact O-CB 3.15Å; Y301-H304 PolarHBondContact O-N 3.4Å; Y301-H304 VanDerWaalsContact O-N 3.12Å; Y301-L305 HydrophobicContact CD1-CD1 4.36Å; Y301-L305 HydrophobicContact CD2-CD1 4.48Å; Y301-L305 HydrophobicContact CD2-CG 4.27Å; Y301-L305 HydrophobicContact CE1-CD1 3.68Å; Y301-L305 HydrophobicContact CE1-CG 4.46Å; Y301-L305 HydrophobicContact CE2-CD1 3.8Å; Y301-L305 HydrophobicContact CE2-CD2 4.11Å; Y301-L305 HydrophobicContact CE2-CG 3.85Å; Y301-L305 PolarHBondContact O-N 2.77Å; Y301-L305 WeakPolarHBondContact OH-CD1 3.42Å; Y301-V318 WeakPolarHBondContact OH-CG1 3.44Å
302	H	80.8	Confident	77.5	Confident	91 Å²	91	86.6 Å²	86.6	42%	0.421	40%	0.395	S	S	.	.	H	α-helix	trans	-63.5	-39.4	177.2	-75.3	-68.9	0	0	0	112.6	E298 H304 L305 Q306	E298-H302 PolarHBondContact O-CD2 3.37Å; E298-H302 VanDerWaalsContact O-CD2 3.24Å; E298-H302 PolarHBondContact O-N 3.21Å; H302-H304 VanDerWaalsContact C-N 3.27Å; H302-H304 PolarHBondContact O-N 2.99Å; H302-L305 PolarHBondContact O-N 3.23Å; H302-Q306 VanDerWaalsContact O-CB 3.32Å; H302-Q306 WeakPolarHBondContact O-CB 3.31Å; H302-Q306 PolarHBondContact O-N 3.04Å
303	Q	82.7	Confident	76.4	Confident	101 Å²	101	79.5 Å²	79.5	47%	0.472	37%	0.374	S	S	.	.	H	α-helix	trans	-62.7	-37.5	174.5	-171.3	-176	37.4	0	0	111.6	W299 Y301 K307	W299-Q303 HydrophobicContact CE3-CB 4.43Å; W299-Q303 HydrophobicContact CZ3-CB 4.43Å; W299-Q303 VanDerWaalsContact O-CB 3.29Å; W299-Q303 WeakPolarHBondContact O-CB 3.42Å; W299-Q303 PolarHBondContact O-N 2.75Å; Y301-Q303 PolarHBondContact O-N 3.09Å; Q303-K307 VanDerWaalsContact O-CB 3.24Å; Q303-K307 WeakPolarHBondContact O-CB 3.5Å; Q303-K307 PolarHBondContact O-N 3.03Å
304	H	85.3	Confident	75.1	Confident	12 Å²	12	79.5 Å²	79.5	6%	0.056	39%	0.385	C	S	.	.	H	α-helix	trans	-65.4	-47.6	173.7	160.8	71.7	0	0	0	111.6	C288 C291 F295 S300 Y301 H302 Q306 K307 Y308 H309	C288-H304 WeakPolarHBondContact CB-NE2 3.14Å; C288-H304 PolarHBondContact SG-NE2 3.2Å; C291-H304 PolarHBondContact SG-CE1 2.99Å; C291-H304 PolarHBondContact SG-NE2 3.14Å; F295-H304 HydrophobicContact CE1-CB 3.62Å; F295-H304 AromaticContact CE1-CG 4Å; F295-H304 HydrophobicContact CE2-CB 4.05Å; F295-H304 AromaticContact CE2-CD2 3.47Å; F295-H304 VanDerWaalsContact CE2-CD2 3.47Å; F295-H304 WeakPolarHBondContact CE2-CD2 3.48Å; F295-H304 AromaticContact CE2-CG 3.79Å; F295-H304 HydrophobicContact CZ-CB 3.31Å; F295-H304 AromaticContact CZ-CD2 3.38Å; F295-H304 WeakPolarHBondContact CZ-CD2 3.36Å; F295-H304 AromaticContact CZ-CG 3.18Å; F295-H304 AromaticContact CZ-ND1 3.83Å; S300-H304 WeakPolarHBondContact O-CB 3.22Å; S300-H304 PolarHBondContact O-N 3.02Å; Y301-H304 WeakPolarHBondContact O-CB 3.15Å; Y301-H304 PolarHBondContact O-N 3.4Å; Y301-H304 VanDerWaalsContact O-N 3.12Å; H302-H304 VanDerWaalsContact C-N 3.27Å; H302-H304 PolarHBondContact O-N 2.99Å; H304-Q306 VanDerWaalsContact C-N 3.32Å; H304-Q306 PolarHBondContact O-N 3.29Å; H304-K307 PolarHBondContact O-N 3.18Å; H304-Y308 AromaticContact CE1-CD2 3.93Å; H304-Y308 AromaticContact ND1-CD2 3.28Å; H304-Y308 VanDerWaalsContact ND1-CD2 3.28Å; H304-Y308 WeakPolarHBondContact ND1-CD2 3.42Å; H304-Y308 AromaticContact ND1-CE2 3.99Å; H304-Y308 AromaticContact ND1-CG 3.97Å; H304-Y308 WeakPolarHBondContact O-CD2 3.46Å; H304-Y308 PolarHBondContact O-N 3.37Å; H304-H309 AromaticContact CE1-CD2 3.84Å; H304-H309 AromaticContact CE1-NE2 3.58Å; H304-H309 AromaticContact NE2-CD2 3.48Å; H304-H309 PolarHBondContact NE2-CD2 3.42Å; H304-H309 AromaticContact NE2-NE2 3.42Å; H304-H309 PolarHBondContact NE2-NE2 3.47Å
305	L	81.7	Confident	73.8	Confident	5 Å²	5	78.8 Å²	78.8	3%	0.026	39%	0.392	C	S	.	.	H	α-helix	trans	-57.1	-47.2	175.1	-72.5	-174.4	0	0	0	111.1	Y290 Y301 H302 K307 H309 N310 V313	Y290-L305 HydrophobicContact CD2-CD2 3.83Å; Y290-L305 HydrophobicContact CE2-CD2 3.89Å; Y301-L305 HydrophobicContact CD1-CD1 4.36Å; Y301-L305 HydrophobicContact CD2-CD1 4.48Å; Y301-L305 HydrophobicContact CD2-CG 4.27Å; Y301-L305 HydrophobicContact CE1-CD1 3.68Å; Y301-L305 HydrophobicContact CE1-CG 4.46Å; Y301-L305 HydrophobicContact CE2-CD1 3.8Å; Y301-L305 HydrophobicContact CE2-CD2 4.11Å; Y301-L305 HydrophobicContact CE2-CG 3.85Å; Y301-L305 PolarHBondContact O-N 2.77Å; Y301-L305 WeakPolarHBondContact OH-CD1 3.42Å; H302-L305 PolarHBondContact O-N 3.23Å; L305-K307 VanDerWaalsContact C-N 3.29Å; L305-K307 PolarHBondContact O-N 2.88Å; L305-H309 HydrophobicContact CD2-CB 4.27Å; L305-H309 CarbonylContact O-C 2.97Å; L305-H309 WeakPolarHBondContact O-CA 3.4Å; L305-H309 WeakPolarHBondContact O-CB 3.48Å; L305-H309 PolarHBondContact O-N 2.75Å; L305-N310 PolarHBondContact O-N 2.93Å; L305-V313 HydrophobicContact CB-CG2 3.72Å; L305-V313 HydrophobicContact CD1-CG2 4.41Å
306	Q	82.3	Confident	72.3	Confident	129 Å²	129	80.2 Å²	80.2	60%	0.603	41%	0.41	S	S	*	.	H	α-helix	trans	-65	-31	178.9	-168.6	179.8	20.9	0	0	112.9	H302 H304 N310	H302-Q306 VanDerWaalsContact O-CB 3.32Å; H302-Q306 WeakPolarHBondContact O-CB 3.31Å; H302-Q306 PolarHBondContact O-N 3.04Å; H304-Q306 VanDerWaalsContact C-N 3.32Å; H304-Q306 PolarHBondContact O-N 3.29Å; Q306-N310 WeakPolarHBondContact O-CB 3.42Å; Q306-N310 VanDerWaalsContact O-CG 3.28Å
307	K	84.8	Confident	71	Confident	151 Å²	151	83.8 Å²	83.8	66%	0.657	43%	0.429	S	S	*	.	H	α-helix	trans	-85.9	-34.9	-178.1	-174.7	173.2	179.2	-177	0	113.5	Q303 H304 L305	Q303-K307 VanDerWaalsContact O-CB 3.24Å; Q303-K307 WeakPolarHBondContact O-CB 3.5Å; Q303-K307 PolarHBondContact O-N 3.03Å; H304-K307 PolarHBondContact O-N 3.18Å; L305-K307 VanDerWaalsContact C-N 3.29Å; L305-K307 PolarHBondContact O-N 2.88Å
308	Y	83.8	Confident	70.1	Confident	132 Å²	132	83.9 Å²	83.9	52%	0.518	44%	0.437	S	S	.	.	H	α-helix	trans	-115.6	-17.5	-170.4	-65.1	-79.7	0	0	0	113.8	H304	H304-Y308 AromaticContact CE1-CD2 3.93Å; H304-Y308 AromaticContact ND1-CD2 3.28Å; H304-Y308 VanDerWaalsContact ND1-CD2 3.28Å; H304-Y308 WeakPolarHBondContact ND1-CD2 3.42Å; H304-Y308 AromaticContact ND1-CE2 3.99Å; H304-Y308 AromaticContact ND1-CG 3.97Å; H304-Y308 WeakPolarHBondContact O-CD2 3.46Å; H304-Y308 PolarHBondContact O-N 3.37Å
309	H	81	Confident	68.8	Low	30 Å²	30	84.1 Å²	84.1	14%	0.139	45%	0.446	C	S	.	.	S	Bend	trans	-134.9	22.6	-176	-55.6	-61.6	0	0	0	111	Y290 H304 L305 D311 C312 V313	Y290-H309 WeakPolarHBondContact CB-CE1 3.22Å; Y290-H309 HydrophobicContact CD2-CB 3.76Å; Y290-H309 AromaticContact CD2-CD2 3.77Å; Y290-H309 AromaticContact CD2-CG 3.5Å; Y290-H309 AromaticContact CD2-ND1 3.89Å; Y290-H309 HydrophobicContact CE2-CB 4.01Å; Y290-H309 HydrophobicContact CG-CB 4.49Å; Y290-H309 AromaticContact CG-CG 3.96Å; Y290-H309 AromaticContact CG-ND1 3.84Å; H304-H309 AromaticContact CE1-CD2 3.84Å; H304-H309 AromaticContact CE1-NE2 3.58Å; H304-H309 AromaticContact NE2-CD2 3.48Å; H304-H309 PolarHBondContact NE2-CD2 3.42Å; H304-H309 AromaticContact NE2-NE2 3.42Å; H304-H309 PolarHBondContact NE2-NE2 3.47Å; L305-H309 HydrophobicContact CD2-CB 4.27Å; L305-H309 CarbonylContact O-C 2.97Å; L305-H309 WeakPolarHBondContact O-CA 3.4Å; L305-H309 WeakPolarHBondContact O-CB 3.48Å; L305-H309 PolarHBondContact O-N 2.75Å; H309-D311 PolarHBondContact O-N 2.69Å; H309-D311 VanDerWaalsContact O-N 3.16Å; H309-C312 HydrophobicContact CB-CB 4.19Å; H309-C312 CarbonylContact O-C 3.59Å; H309-C312 WeakPolarHBondContact O-CA 3.4Å; H309-C312 VanDerWaalsContact O-CB 3.29Å; H309-C312 WeakPolarHBondContact O-CB 3.17Å; H309-C312 PolarHBondContact O-N 3.31Å; H309-V313 WeakPolarHBondContact O-CG2 3.45Å; H309-V313 PolarHBondContact O-N 3.37Å
310	N	74.2	Confident	67.1	Low	77 Å²	77	82.4 Å²	82.4	41%	0.412	46%	0.455	S	S	.	.	H	α-helix	trans	-51.6	-44.8	-172.7	-155.1	23.2	0	0	0	111.5	L305 Q306 C312 V313	L305-N310 PolarHBondContact O-N 2.93Å; Q306-N310 WeakPolarHBondContact O-CB 3.42Å; Q306-N310 VanDerWaalsContact O-CG 3.28Å; N310-C312 PolarHBondContact O-N 3.25Å; N310-V313 PolarHBondContact O-N 2.61Å
311	D	66	Low	65.6	Low	146 Å²	146	86.3 Å²	86.3	78%	0.781	47%	0.473	S	S	*	.	H	α-helix	trans	-65.8	-26.1	-179.5	-51.5	-38.7	0	0	0	111.7	H309	H309-D311 PolarHBondContact O-N 2.69Å; H309-D311 VanDerWaalsContact O-N 3.16Å
312	C	60.9	Low	63.8	Low	45 Å²	45	94.1 Å²	94.1	30%	0.304	51%	0.51	S	S	.	.	H	α-helix	trans	-86.1	-28.1	179	-48.4	0	0	0	0	113.2	Y290 H309 N310 N314 S315	Y290-C312 HydrophobicContact CE1-CB 3.91Å; Y290-C312 HydrophobicContact CE2-CB 4.09Å; Y290-C312 PolarHBondContact OH-O 3.14Å; H309-C312 HydrophobicContact CB-CB 4.19Å; H309-C312 CarbonylContact O-C 3.59Å; H309-C312 WeakPolarHBondContact O-CA 3.4Å; H309-C312 VanDerWaalsContact O-CB 3.29Å; H309-C312 WeakPolarHBondContact O-CB 3.17Å; H309-C312 PolarHBondContact O-N 3.31Å; N310-C312 PolarHBondContact O-N 3.25Å; C312-N314 PolarHBondContact O-N 2.76Å; C312-S315 WeakPolarHBondContact O-CB 3.27Å; C312-S315 PolarHBondContact O-N 3.48Å; C312-S315 VanDerWaalsContact O-N 3.1Å; C312-S315 PolarHBondContact O-OG 2.81Å
313	V	54.4	Low	61.9	Low	52 Å²	52	96.5 Å²	96.5	32%	0.315	53%	0.526	S	S	.	.	H	α-helix	trans	-62.6	-28.5	-175.7	-180	0	0	0	0	112.1	L305 H309 N310 S315	L305-V313 HydrophobicContact CB-CG2 3.72Å; L305-V313 HydrophobicContact CD1-CG2 4.41Å; H309-V313 WeakPolarHBondContact O-CG2 3.45Å; H309-V313 PolarHBondContact O-N 3.37Å; N310-V313 PolarHBondContact O-N 2.61Å; V313-S315 PolarHBondContact O-N 2.97Å; V313-S315 VanDerWaalsContact O-N 3.15Å
314	N	53.8	Low	59.6	Low	146 Å²	146	99 Å²	99	78%	0.781	54%	0.542	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	1.2	179.1	-64.4	-37.8	0	0	0	113.9	C312	C312-N314 PolarHBondContact O-N 2.76Å
315	S	51.9	Low	57	Low	94 Å²	94	107.4 Å²	107.4	66%	0.657	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-24.1	-173	-31.4	0	0	0	0	115	C312 V313	C312-S315 WeakPolarHBondContact O-CB 3.27Å; C312-S315 PolarHBondContact O-N 3.48Å; C312-S315 VanDerWaalsContact O-N 3.1Å; C312-S315 PolarHBondContact O-OG 2.81Å; V313-S315 PolarHBondContact O-N 2.97Å; V313-S315 VanDerWaalsContact O-N 3.15Å
316	A	45.8	Very low	54.8	Low	62 Å²	62	114.5 Å²	114.5	51%	0.512	66%	0.656	S	S	.	*	S	Bend	trans	-177.9	149.4	173.4	0	0	0	0	0	110	V318	A316-V318 PolarHBondContact O-N 2.64Å
317	P	46.1	Very low	53.4	Low	120 Å²	120	113.8 Å²	113.8	78%	0.779	66%	0.658	S	S	*	*			trans	-64.5	120.2	173.4	26.7	-31.6	0	0	0	109.9	T319	P317-T319 PolarHBondContact O-N 2.82Å; P317-T319 VanDerWaalsContact O-N 3.1Å
318	V	50.8	Low	51.8	Low	70 Å²	70	111.8 Å²	111.8	42%	0.424	66%	0.658	S	S	.	*			trans	-71.2	106.4	171.4	-174.6	0	0	0	0	107.8	P289 Y301 A316	P289-V318 HydrophobicContact CG-CG1 4.31Å; P289-V318 HydrophobicContact CG-CG2 4.3Å; Y301-V318 WeakPolarHBondContact OH-CG1 3.44Å; A316-V318 PolarHBondContact O-N 2.64Å
319	T	43.9	Very low	50	Low	118 Å²	118	110.7 Å²	110.7	72%	0.724	67%	0.666	S	S	*	*			trans	-71.4	143.9	178.2	48.8	0	0	0	0	110.7	P317	P317-T319 PolarHBondContact O-N 2.82Å; P317-T319 VanDerWaalsContact O-N 3.1Å
320	C	38.7	Very low	48.2	Very low	109 Å²	109	115.5 Å²	115.5	74%	0.736	70%	0.697	S	S	*	*			trans	-53.7	147	170.9	-54	0	0	0	0	109.9	E322	C320-E322 VanDerWaalsContact C-N 3.29Å; C320-E322 PolarHBondContact O-N 3.29Å
321	I	49.5	Very low	46.6	Very low	111 Å²	111	117.9 Å²	117.9	57%	0.569	72%	0.715	S	S	*	*			trans	-67.8	94.6	169.3	-55.2	174.4	0	0	0	107.3	N323	I321-N323 VanDerWaalsContact C-N 3.32Å; I321-N323 HydrophobicContact CG2-CB 4.42Å; I321-N323 WeakPolarHBondContact CG2-OD1 2.9Å; I321-N323 PolarHBondContact O-N 2.88Å
322	E	40.9	Very low	45.3	Very low	176 Å²	176	116 Å²	116	82%	0.822	71%	0.71	S	S	*	*			trans	-64.8	103	146.7	-66.3	-176.9	163	0	0	104.5	C320 L324	C320-E322 VanDerWaalsContact C-N 3.29Å; C320-E322 PolarHBondContact O-N 3.29Å; E322-L324 VanDerWaalsContact C-N 3.26Å; E322-L324 PolarHBondContact O-N 2.81Å
323	N	42	Very low	44.1	Very low	141 Å²	141	121.1 Å²	121.1	75%	0.754	74%	0.74	S	S	*	*			trans	-63.8	95.9	176.8	-79.9	-50.2	0	0	0	107.6	I321 E325	I321-N323 VanDerWaalsContact C-N 3.32Å; I321-N323 HydrophobicContact CG2-CB 4.42Å; I321-N323 WeakPolarHBondContact CG2-OD1 2.9Å; I321-N323 PolarHBondContact O-N 2.88Å; N323-E325 PolarHBondContact O-N 3.21Å
324	L	32.7	Very low	43.3	Very low	154 Å²	154	126.4 Å²	126.4	81%	0.806	77%	0.772	S	S	*	*			trans	-50.8	112.3	154.9	-79.8	151.2	0	0	0	107.8	E322	E322-L324 VanDerWaalsContact C-N 3.26Å; E322-L324 PolarHBondContact O-N 2.81Å
325	E	32.2	Very low	42.5	Very low	187 Å²	187	124.8 Å²	124.8	87%	0.874	77%	0.771	S	S	*	*			trans	37.9	110.9	143.5	-59.6	-179.3	160	0	0	117.5	N323	N323-E325 PolarHBondContact O-N 3.21Å
326	G	35.1	Very low	41.6	Very low	155 Å²	155	127.5 Å²	127.5	100%	1.598	78%	0.782	S	S	*	*			trans	-164.1	0	164.1	0	0	0	0	0	110.7

Retrieved 326 of 326 residues in 521.8 ms (Link to these results)

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