A0A060Y2T2_ONCMY Loading...

Uridylate-specific endoribonuclease

AlphaFold DB , UniProt , Accession A0A060Y2T2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110528107, Length 389 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.3	Very low	46.1	Very low	228 Å²	228	143.7 Å²	143.7	100%	1.123	74%	0.743	S	S	*	*				0	41.1	0	-58	155.4	58.5	0	0	111.3
2	K	45.9	Very low	46.2	Very low	184 Å²	184	140.7 Å²	140.7	80%	0.8	74%	0.736	S	S	*	*			cis	63.6	96.1	38.4	-56	-177.8	175.9	179.7	0	114	I4	K2-I4 PolarHBondContact O-N 3.27Å
3	I	50.9	Low	46	Very low	146 Å²	146	140 Å²	140	75%	0.749	73%	0.732	S	S	*	*	S	Bend	trans	82.9	-13.9	142	-53.7	168.3	0	0	0	118.3
4	I	50.6	Low	45.7	Very low	134 Å²	134	142.3 Å²	142.3	69%	0.687	73%	0.734	S	S	*	*	S	Bend	trans	-91.5	-21.1	-175.7	-62.4	175.9	0	0	0	114.6	K2	K2-I4 PolarHBondContact O-N 3.27Å
5	L	44.7	Very low	45.3	Very low	157 Å²	157	145 Å²	145	82%	0.822	74%	0.738	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-7.3	-178.2	-100	110.4	0	0	0	115.8
6	L	43.2	Very low	45	Very low	140 Å²	140	146.7 Å²	146.7	73%	0.733	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.5	-7.5	179.3	-106.3	136.8	0	0	0	113.9
7	V	48.1	Very low	44.6	Very low	91 Å²	91	142.5 Å²	142.5	55%	0.552	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	-20.8	174.6	-177.9	0	0	0	0	111.5	V11	V7-V11 WeakPolarHBondContact O-CG2 3.42Å
8	I	47.4	Very low	44.3	Very low	122 Å²	122	145.5 Å²	145.5	63%	0.626	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.5	-20	178.8	-61	175.9	0	0	0	112.1
9	L	41.1	Very low	44.2	Very low	133 Å²	133	141.7 Å²	141.7	70%	0.696	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.3	-0.9	178.3	-127.1	115.2	0	0	0	114.7
10	L	44.3	Very low	44.5	Very low	130 Å²	130	140.8 Å²	140.8	68%	0.681	74%	0.735	S	S	*	*	S	Bend	trans	-111.4	-3.6	174.6	-93	154.5	0	0	0	113.2
11	V	45	Very low	45.2	Very low	116 Å²	116	134.3 Å²	134.3	70%	0.703	70%	0.702	S	S	*	*	S	Bend	trans	-93.9	-6.1	171.3	179.2	0	0	0	0	112	V7	V7-V11 WeakPolarHBondContact O-CG2 3.42Å
12	T	46.3	Very low	46.1	Very low	107 Å²	107	125.6 Å²	125.6	66%	0.656	66%	0.663	S	S	*	*	S	Bend	trans	-98.6	7.1	178.4	49.6	0	0	0	0	114.8
13	L	43.6	Very low	48	Very low	132 Å²	132	121.1 Å²	121.1	69%	0.691	65%	0.652	S	S	*	*	S	Bend	trans	-127.9	11	-177.3	-90.3	160.5	0	0	0	115.7
14	F	41.9	Very low	49.7	Very low	172 Å²	172	115.7 Å²	115.7	75%	0.754	63%	0.627	S	S	*	*	S	Bend	trans	-138.3	61.9	171.8	-94.7	-83.3	0	0	0	111.5
15	F	40.1	Very low	51.6	Low	183 Å²	183	109.3 Å²	109.3	80%	0.803	59%	0.594	S	S	*	*			trans	-152.4	80.4	134.4	-90.4	-73.9	0	0	0	105	G17 Y18	F15-G17 PolarHBondContact O-N 2.87Å; F15-Y18 HydrophobicContact CD1-CD2 4.39Å; F15-Y18 HydrophobicContact CD1-CE2 4.16Å; F15-Y18 HydrophobicContact CE1-CE2 4.21Å
16	Q	39.9	Very low	53.7	Low	172 Å²	172	109.5 Å²	109.5	80%	0.804	59%	0.591	S	S	*	*			trans	-40.9	129.8	156.9	-74.9	170.9	-42	0	0	107.3	Y18	Q16-Y18 PolarHBondContact O-N 3.28Å
17	G	39.1	Very low	55.5	Low	75 Å²	75	106.9 Å²	106.9	77%	0.773	60%	0.597	S	S	*	*			trans	-43.3	111.1	177.6	0	0	0	0	0	109.1	F15 S19	F15-G17 PolarHBondContact O-N 2.87Å; G17-S19 PolarHBondContact O-N 2.92Å
18	Y	38.9	Very low	57.4	Low	197 Å²	197	104.2 Å²	104.2	77%	0.773	58%	0.577	S	S	*	*			trans	-58.7	97.3	155.6	-92.4	-89.5	0	0	0	103.7	F15 Q16 T20	F15-Y18 HydrophobicContact CD1-CD2 4.39Å; F15-Y18 HydrophobicContact CD1-CE2 4.16Å; F15-Y18 HydrophobicContact CE1-CE2 4.21Å; Q16-Y18 PolarHBondContact O-N 3.28Å; Y18-T20 PolarHBondContact O-N 3Å
19	S	42.7	Very low	59.3	Low	73 Å²	73	100.9 Å²	100.9	51%	0.51	57%	0.565	S	S	.	*			trans	-54.9	104.4	164.2	-170.8	0	0	0	0	104.1	G17 G21	G17-S19 PolarHBondContact O-N 2.92Å; S19-G21 PolarHBondContact O-N 2.73Å
20	T	49.9	Very low	61.6	Low	124 Å²	124	100.9 Å²	100.9	76%	0.761	57%	0.565	S	S	*	*			trans	-67.3	77.3	167.9	49.5	0	0	0	0	104.8	Y18 S22	Y18-T20 PolarHBondContact O-N 3Å; T20-S22 PolarHBondContact O-N 2.83Å
21	G	59.2	Low	63.6	Low	5 Å²	5	96.4 Å²	96.4	5%	0.052	54%	0.541	C	S	.	.			trans	-52.9	117.5	175.7	0	0	0	0	0	106.1	S19 T23 K38	S19-G21 PolarHBondContact O-N 2.73Å; G21-T23 PolarHBondContact O-N 3.2Å; G21-K38 WeakPolarHBondContact O-CD 3.17Å
22	S	65.8	Low	65.7	Low	44 Å²	44	100 Å²	100	31%	0.308	55%	0.547	S	S	.	.			trans	-63.8	133.4	-168.6	173	0	0	0	0	109.4	T20 S24 R28 C39	T20-S22 PolarHBondContact O-N 2.83Å; S22-S24 PolarHBondContact OG-O 3.4Å; S22-R28 PolarHBondContact O-NH1 2.79Å; S22-R28 PolarHBondContact OG-NH1 2.99Å; S22-C39 PolarHBondContact O-SG 2.76Å
23	T	84.4	Confident	67.7	Low	91 Å²	91	102.4 Å²	102.4	56%	0.558	55%	0.545	S	S	*	.			trans	-98.4	6.6	-176.2	55.7	0	0	0	0	112.8	G21 K38 C39	G21-T23 PolarHBondContact O-N 3.2Å; T23-K38 HydrophobicContact CG2-CD 4.05Å; T23-C39 VanDerWaalsContact C-SG 3.53Å; T23-C39 VanDerWaalsContact CA-SG 3.53Å
24	S	87.4	Confident	69.7	Low	31 Å²	31	99.2 Å²	99.2	22%	0.217	53%	0.529	C	S	.	.			trans	-135.2	150.4	-173.4	169.7	0	0	0	0	111.8	S22 Q26 R28 D54	S22-S24 PolarHBondContact OG-O 3.4Å; S24-Q26 PolarHBondContact OG-N 3.13Å; S24-Q26 VanDerWaalsContact OG-N 3.14Å; S24-R28 WeakPolarHBondContact O-CD 3.08Å; S24-R28 PolarHBondContact O-NH1 3.46Å; S24-D54 WeakPolarHBondContact CA-OD1 3.2Å; S24-D54 VanDerWaalsContact CA-OD2 3.25Å; S24-D54 WeakPolarHBondContact CA-OD2 3.17Å; S24-D54 WeakPolarHBondContact CB-OD2 3.2Å; S24-D54 PolarHBondContact OG-OD2 3Å
25	C	90.3	Very high	71.7	Confident	0 Å²	0	95.5 Å²	95.5	0%	0	52%	0.524	C	S	.	.			trans	-88.3	1.7	173.7	-70.4	0	0	0	0	115.8	G27 R28 C41 C52 D54 L58 C59	C25-G27 PolarHBondContact O-N 3.48Å; C25-R28 PolarHBondContact O-N 3.06Å; C25-C41 WeakPolarHBondContact CA-SG 3.23Å; C25-C41 HydrophobicContact CB-CB 3.8Å; C25-C41 WeakPolarHBondContact CB-SG 3.44Å; C25-C41 WeakPolarHBondContact SG-CB 3.38Å; C25-C41 CovalentContact SG-SG 2.03Å; C25-C41 PolarHBondContact SG-SG 3.41Å; C25-C52 VanDerWaalsContact SG-CB 3.52Å; C25-D54 VanDerWaalsContact N-CG 3.29Å; C25-D54 PolarHBondContact N-OD1 3.42Å; C25-D54 PolarHBondContact N-OD2 3.44Å; C25-L58 HydrophobicContact CB-CB 4.28Å; C25-L58 HydrophobicContact CB-CD1 4.27Å; C25-C59 VanDerWaalsContact CB-SG 3.59Å
26	Q	88.4	Confident	73.8	Confident	161 Å²	161	93 Å²	93	75%	0.752	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	112.5	177.2	-172	172.6	-4.1	0	0	111.3	S24 R28 L58	S24-Q26 PolarHBondContact OG-N 3.13Å; S24-Q26 VanDerWaalsContact OG-N 3.14Å; Q26-R28 VanDerWaalsContact C-N 3.29Å; Q26-R28 PolarHBondContact O-N 2.96Å; Q26-L58 HydrophobicContact CB-CD1 4.15Å
27	G	81.3	Confident	75.9	Confident	85 Å²	85	86.5 Å²	86.5	88%	0.876	49%	0.486	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	13.6	-178	0	0	0	0	0	115.4	C25	C25-G27 PolarHBondContact O-N 3.48Å
28	R	87.6	Confident	78.3	Confident	35 Å²	35	90.2 Å²	90.2	13%	0.132	48%	0.481	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.4	6.7	-176.9	-70.6	175.9	57.6	-146.5	0.7	114.4	S22 S24 C25 Q26 D30 E31 N37 C39 C41	S22-R28 PolarHBondContact O-NH1 2.79Å; S22-R28 PolarHBondContact OG-NH1 2.99Å; S24-R28 WeakPolarHBondContact O-CD 3.08Å; S24-R28 PolarHBondContact O-NH1 3.46Å; C25-R28 PolarHBondContact O-N 3.06Å; Q26-R28 VanDerWaalsContact C-N 3.29Å; Q26-R28 PolarHBondContact O-N 2.96Å; R28-D30 PolarHBondContact O-N 2.97Å; R28-E31 IonicContact CZ-OE1 3.87Å; R28-E31 IonicContact CZ-OE2 3.15Å; R28-E31 IonicContact NE-OE2 3.29Å; R28-E31 PolarHBondContact NE-OE2 3.38Å; R28-E31 IonicContact NH2-OE1 2.74Å; R28-E31 PolarHBondContact NH2-OE1 3.02Å; R28-E31 IonicContact NH2-OE2 2.77Å; R28-E31 PolarHBondContact NH2-OE2 2.97Å; R28-E31 VanDerWaalsContact O-CB 3.3Å; R28-E31 WeakPolarHBondContact O-CB 3.31Å; R28-E31 WeakPolarHBondContact O-CG 3.38Å; R28-E31 PolarHBondContact O-N 3.35Å; R28-E31 VanDerWaalsContact O-N 3.16Å; R28-N37 PolarHBondContact NH2-ND2 2.03Å; R28-C39 PolarHBondContact NH2-O 3.25Å; R28-C41 HydrophobicContact CB-CB 4.07Å; R28-C41 WeakPolarHBondContact O-CB 3.07Å
29	C	88.7	Confident	80.8	Confident	53 Å²	53	81.5 Å²	81.5	36%	0.358	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	137.6	176.9	-56.3	0	0	0	0	111	E31 C41 C59	C29-E31 VanDerWaalsContact C-N 3.27Å; C29-E31 PolarHBondContact O-N 3.16Å; C29-C41 WeakPolarHBondContact CA-O 3.42Å; C29-C59 WeakPolarHBondContact CA-SG 3.08Å; C29-C59 HydrophobicContact CB-CB 3.78Å; C29-C59 WeakPolarHBondContact CB-SG 3.45Å; C29-C59 WeakPolarHBondContact SG-CA 3.31Å; C29-C59 WeakPolarHBondContact SG-CB 3.38Å; C29-C59 CovalentContact SG-SG 2.04Å; C29-C59 PolarHBondContact SG-SG 2.04Å
30	D	88	Confident	83.2	Confident	133 Å²	133	78.4 Å²	78.4	71%	0.711	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	25.5	-175.3	-59.1	-47.7	0	0	0	115.2	R28 C41	R28-D30 PolarHBondContact O-N 2.97Å; D30-C41 PolarHBondContact N-O 3.31Å
31	E	88.2	Confident	85.2	Confident	35 Å²	35	72.5 Å²	72.5	16%	0.164	39%	0.39	C	S	.	.	P	Polyproline II helix	trans	-60	155.3	175.3	65.1	168.9	-154.2	0	0	113.5	R28 C29 N37 H40 C41 N42	R28-E31 IonicContact CZ-OE1 3.87Å; R28-E31 IonicContact CZ-OE2 3.15Å; R28-E31 IonicContact NE-OE2 3.29Å; R28-E31 PolarHBondContact NE-OE2 3.38Å; R28-E31 IonicContact NH2-OE1 2.74Å; R28-E31 PolarHBondContact NH2-OE1 3.02Å; R28-E31 IonicContact NH2-OE2 2.77Å; R28-E31 PolarHBondContact NH2-OE2 2.97Å; R28-E31 VanDerWaalsContact O-CB 3.3Å; R28-E31 WeakPolarHBondContact O-CB 3.31Å; R28-E31 WeakPolarHBondContact O-CG 3.38Å; R28-E31 PolarHBondContact O-N 3.35Å; R28-E31 VanDerWaalsContact O-N 3.16Å; C29-E31 VanDerWaalsContact C-N 3.27Å; C29-E31 PolarHBondContact O-N 3.16Å; E31-N37 PolarHBondContact OE1-ND2 3.44Å; E31-N37 PolarHBondContact OE2-ND2 3.1Å; E31-H40 WeakPolarHBondContact OE1-CA 3.25Å; E31-H40 IonicContact OE1-CG 3.83Å; E31-H40 IonicContact OE1-ND1 3.02Å; E31-H40 PolarHBondContact OE1-ND1 3.41Å; E31-C41 HydrophobicContact CG-CB 4.18Å; E31-C41 PolarHBondContact OE1-N 3.01Å; E31-N42 WeakPolarHBondContact O-CB 3.01Å
32	K	89.1	Confident	86.6	Confident	193 Å²	193	73.2 Å²	73.2	84%	0.839	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-74.5	148.8	167.6	-66.9	-178.5	-178.6	177.1	0	110	N34	K32-N34 PolarHBondContact O-N 3.09Å
33	Y	87.5	Confident	87.6	Confident	157 Å²	157	75.7 Å²	75.7	62%	0.616	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-57.3	131.3	173.7	176.9	-99.2	0	0	0	111.1	H40	Y33-H40 AromaticContact CD2-CE1 3.68Å; Y33-H40 AromaticContact CD2-NE2 3.53Å; Y33-H40 AromaticContact CE2-CE1 3.95Å; Y33-H40 AromaticContact CE2-NE2 3.38Å; Y33-H40 WeakPolarHBondContact CE2-NE2 3.16Å
34	N	84.7	Confident	87.9	Confident	64 Å²	64	77.1 Å²	77.1	34%	0.342	41%	0.408	S	S	.	.			trans	-139.5	111.9	175.8	-179.7	-8.6	0	0	0	109.4	K32 Q36 N37 H40	K32-N34 PolarHBondContact O-N 3.09Å; N34-Q36 PolarHBondContact O-N 3.21Å; N34-Q36 WeakPolarHBondContact OD1-CB 3.45Å; N34-Q36 PolarHBondContact OD1-N 3.11Å; N34-N37 PolarHBondContact O-N 3.22Å; N34-H40 PolarHBondContact N-CE1 3.02Å; N34-H40 PolarHBondContact O-CE1 2.81Å
35	S	84.8	Confident	88	Confident	95 Å²	95	75.6 Å²	75.6	66%	0.664	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-8.1	-177.6	54.1	0	0	0	0	115
36	Q	84.3	Confident	87.9	Confident	131 Å²	131	78.9 Å²	78.9	61%	0.612	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-11.5	175.1	-59.4	-176.2	-24.3	0	0	113.7	N34	N34-Q36 PolarHBondContact O-N 3.21Å; N34-Q36 WeakPolarHBondContact OD1-CB 3.45Å; N34-Q36 PolarHBondContact OD1-N 3.11Å
37	N	84.4	Confident	88	Confident	35 Å²	35	77.9 Å²	77.9	19%	0.187	42%	0.416	C	S	.	.			trans	-79.7	143.1	177.2	-70.6	-18.3	0	0	0	110.7	R28 E31 N34 C39	R28-N37 PolarHBondContact NH2-ND2 2.03Å; E31-N37 PolarHBondContact OE1-ND2 3.44Å; E31-N37 PolarHBondContact OE2-ND2 3.1Å; N34-N37 PolarHBondContact O-N 3.22Å; N37-C39 VanDerWaalsContact C-N 3.31Å; N37-C39 WeakPolarHBondContact CB-O 3.31Å
38	K	88.6	Confident	88.4	Confident	152 Å²	152	80.9 Å²	80.9	66%	0.661	40%	0.402	S	S	*	.	S	Bend	trans	-74.1	-25.5	175.6	-72.1	-177	-175.6	-179.9	0	112.7	G21 T23	G21-K38 WeakPolarHBondContact O-CD 3.17Å; T23-K38 HydrophobicContact CG2-CD 4.05Å
39	C	92.1	Very high	88.5	Confident	15 Å²	15	86.7 Å²	86.7	10%	0.101	44%	0.436	C	S	.	.	S	Bend	trans	-154.2	161.8	177.1	60.8	0	0	0	0	110	S22 T23 R28 N37 N50 C52	S22-C39 PolarHBondContact O-SG 2.76Å; T23-C39 VanDerWaalsContact C-SG 3.53Å; T23-C39 VanDerWaalsContact CA-SG 3.53Å; R28-C39 PolarHBondContact NH2-O 3.25Å; N37-C39 VanDerWaalsContact C-N 3.31Å; N37-C39 WeakPolarHBondContact CB-O 3.31Å; C39-N50 CarbonylContact C-O 3.5Å; C39-N50 VanDerWaalsContact CA-O 3.31Å; C39-N50 WeakPolarHBondContact CA-O 3.1Å; C39-C52 HydrophobicContact CB-CB 3.83Å; C39-C52 WeakPolarHBondContact CB-SG 3.26Å; C39-C52 WeakPolarHBondContact SG-CA 3.43Å; C39-C52 WeakPolarHBondContact SG-CB 3.46Å; C39-C52 CovalentContact SG-SG 2.03Å; C39-C52 PolarHBondContact SG-SG 2.92Å
40	H	92.8	Very high	88.7	Confident	7 Å²	7	86.2 Å²	86.2	3%	0.032	43%	0.429	C	S	.	.	B	Isolated β-bridge	trans	-118.7	152.6	-172.1	-72.8	-63.4	0	0	0	112.9	E31 Y33 N34 C45 N50 C51 C52	E31-H40 WeakPolarHBondContact OE1-CA 3.25Å; E31-H40 IonicContact OE1-CG 3.83Å; E31-H40 IonicContact OE1-ND1 3.02Å; E31-H40 PolarHBondContact OE1-ND1 3.41Å; Y33-H40 AromaticContact CD2-CE1 3.68Å; Y33-H40 AromaticContact CD2-NE2 3.53Å; Y33-H40 AromaticContact CE2-CE1 3.95Å; Y33-H40 AromaticContact CE2-NE2 3.38Å; Y33-H40 WeakPolarHBondContact CE2-NE2 3.16Å; N34-H40 PolarHBondContact N-CE1 3.02Å; N34-H40 PolarHBondContact O-CE1 2.81Å; H40-C45 HydrophobicContact CB-CB 3.83Å; H40-N50 PolarHBondContact CD2-ND2 2.94Å; H40-N50 PolarHBondContact N-O 3.12Å; H40-C51 VanDerWaalsContact O-CA 3.26Å; H40-C51 WeakPolarHBondContact O-CA 3.17Å; H40-C52 PolarHBondContact O-N 2.83Å; H40-C52 VanDerWaalsContact O-N 3.1Å
41	C	91.9	Very high	88.9	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	41%	0.408	C	S	.	.			trans	-126.9	27.9	-177.1	-58.2	0	0	0	0	111.9	C25 R28 C29 D30 E31 C52 F55	C25-C41 WeakPolarHBondContact CA-SG 3.23Å; C25-C41 HydrophobicContact CB-CB 3.8Å; C25-C41 WeakPolarHBondContact CB-SG 3.44Å; C25-C41 WeakPolarHBondContact SG-CB 3.38Å; C25-C41 CovalentContact SG-SG 2.03Å; C25-C41 PolarHBondContact SG-SG 3.41Å; R28-C41 HydrophobicContact CB-CB 4.07Å; R28-C41 WeakPolarHBondContact O-CB 3.07Å; C29-C41 WeakPolarHBondContact CA-O 3.42Å; D30-C41 PolarHBondContact N-O 3.31Å; E31-C41 HydrophobicContact CG-CB 4.18Å; E31-C41 PolarHBondContact OE1-N 3.01Å; C41-C52 PolarHBondContact SG-SG 3.14Å; C41-F55 HydrophobicContact CB-CD2 4.36Å
42	N	89	Confident	89.1	Confident	21 Å²	21	80.3 Å²	80.3	11%	0.112	40%	0.402	C	S	.	.	S	Bend	trans	-99.3	158.9	176.8	67.8	63.4	0	0	0	110.8	E31 K44 C45	E31-N42 WeakPolarHBondContact O-CB 3.01Å; N42-K44 PolarHBondContact O-N 2.87Å; N42-K44 WeakPolarHBondContact OD1-CA 3.23Å; N42-K44 WeakPolarHBondContact OD1-CB 3.4Å; N42-K44 PolarHBondContact OD1-N 3.44Å; N42-C45 WeakPolarHBondContact O-CB 3.4Å; N42-C45 PolarHBondContact O-N 3.02Å; N42-C45 PolarHBondContact O-SG 2.74Å; N42-C45 PolarHBondContact OD1-N 2.79Å; N42-C45 VanDerWaalsContact OD1-N 3.12Å
43	S	86.9	Confident	89.2	Confident	96 Å²	96	77.1 Å²	77.1	67%	0.671	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-11.7	-177.7	55.9	0	0	0	0	115.7
44	K	90.1	Very high	89.3	Confident	120 Å²	120	71.2 Å²	71.2	52%	0.522	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-2.5	176.2	-60.3	-172.2	179.5	-176.4	0	113.4	N42 S46 Q47 Y48	N42-K44 PolarHBondContact O-N 2.87Å; N42-K44 WeakPolarHBondContact OD1-CA 3.23Å; N42-K44 WeakPolarHBondContact OD1-CB 3.4Å; N42-K44 PolarHBondContact OD1-N 3.44Å; K44-S46 PolarHBondContact O-N 3.29Å; K44-Q47 VanDerWaalsContact O-CB 3.31Å; K44-Q47 WeakPolarHBondContact O-CB 3.26Å; K44-Q47 PolarHBondContact O-N 2.87Å; K44-Y48 HydrophobicContact CB-CD2 4.23Å; K44-Y48 HydrophobicContact CB-CE2 4Å; K44-Y48 VanDerWaalsContact O-CD2 3.23Å; K44-Y48 WeakPolarHBondContact O-CD2 3.5Å; K44-Y48 PolarHBondContact O-N 3.41Å
45	C	90.1	Very high	89.3	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-61.3	-33.2	-175.1	70.4	0	0	0	0	112.5	H40 N42 Q47 Y48 D49 N50 C51 F55	H40-C45 HydrophobicContact CB-CB 3.83Å; N42-C45 WeakPolarHBondContact O-CB 3.4Å; N42-C45 PolarHBondContact O-N 3.02Å; N42-C45 PolarHBondContact O-SG 2.74Å; N42-C45 PolarHBondContact OD1-N 2.79Å; N42-C45 VanDerWaalsContact OD1-N 3.12Å; C45-Q47 VanDerWaalsContact C-N 3.26Å; C45-Q47 PolarHBondContact O-N 2.96Å; C45-Y48 CarbonylContact O-C 3.36Å; C45-Y48 PolarHBondContact O-N 3.38Å; C45-Y48 VanDerWaalsContact O-N 3.16Å; C45-D49 PolarHBondContact O-N 2.04Å; C45-N50 WeakPolarHBondContact CA-OD1 3.42Å; C45-N50 VanDerWaalsContact CB-OD1 3.25Å; C45-N50 WeakPolarHBondContact CB-OD1 3.26Å; C45-N50 PolarHBondContact O-N 3.22Å; C45-N50 VanDerWaalsContact O-N 3.11Å; C45-N50 PolarHBondContact O-OD1 3Å; C45-C51 HydrophobicContact CB-CB 3.96Å; C45-C51 WeakPolarHBondContact CB-SG 3.41Å; C45-C51 VanDerWaalsContact SG-CA 3.5Å; C45-C51 WeakPolarHBondContact SG-CB 3.25Å; C45-C51 CovalentContact SG-SG 2.04Å; C45-C51 PolarHBondContact SG-SG 2.94Å; C45-F55 VanDerWaalsContact SG-CE1 3.57Å
46	S	87	Confident	89.2	Confident	69 Å²	69	69.6 Å²	69.6	48%	0.483	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-69	-26.8	178.4	-44.5	0	0	0	0	112.1	K44 Y48 C51	K44-S46 PolarHBondContact O-N 3.29Å; S46-Y48 VanDerWaalsContact C-N 3.32Å; S46-C51 PolarHBondContact N-SG 2.52Å; S46-C51 PolarHBondContact OG-SG 3.04Å; S46-C51 VanDerWaalsContact OG-SG 3.38Å
47	Q	91	Very high	88.9	Confident	140 Å²	140	66.8 Å²	66.8	65%	0.654	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-71.3	-30	175	-174.2	-177.6	-1.6	0	0	112	K44 C45	K44-Q47 VanDerWaalsContact O-CB 3.31Å; K44-Q47 WeakPolarHBondContact O-CB 3.26Å; K44-Q47 PolarHBondContact O-N 2.87Å; C45-Q47 VanDerWaalsContact C-N 3.26Å; C45-Q47 PolarHBondContact O-N 2.96Å
48	Y	90.4	Very high	88.7	Confident	147 Å²	147	69.1 Å²	69.1	58%	0.576	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	9	-176.7	-61.4	-72.1	0	0	0	113.1	K44 C45 S46 N50	K44-Y48 HydrophobicContact CB-CD2 4.23Å; K44-Y48 HydrophobicContact CB-CE2 4Å; K44-Y48 VanDerWaalsContact O-CD2 3.23Å; K44-Y48 WeakPolarHBondContact O-CD2 3.5Å; K44-Y48 PolarHBondContact O-N 3.41Å; C45-Y48 CarbonylContact O-C 3.36Å; C45-Y48 PolarHBondContact O-N 3.38Å; C45-Y48 VanDerWaalsContact O-N 3.16Å; S46-Y48 VanDerWaalsContact C-N 3.32Å; Y48-N50 PolarHBondContact O-N 3.09Å
49	D	88.8	Confident	88.3	Confident	158 Å²	158	63.3 Å²	63.3	85%	0.845	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	43.1	-179	-157.8	24.6	0	0	0	113.6	C45	C45-D49 PolarHBondContact O-N 2.04Å
50	N	92.6	Very high	87.3	Confident	42 Å²	42	66.5 Å²	66.5	23%	0.225	37%	0.368	C	S	.	.			trans	-128.9	20.8	-175.9	67.9	10.6	0	0	0	113.2	C39 H40 C45 Y48	C39-N50 CarbonylContact C-O 3.5Å; C39-N50 VanDerWaalsContact CA-O 3.31Å; C39-N50 WeakPolarHBondContact CA-O 3.1Å; H40-N50 PolarHBondContact CD2-ND2 2.94Å; H40-N50 PolarHBondContact N-O 3.12Å; C45-N50 WeakPolarHBondContact CA-OD1 3.42Å; C45-N50 VanDerWaalsContact CB-OD1 3.25Å; C45-N50 WeakPolarHBondContact CB-OD1 3.26Å; C45-N50 PolarHBondContact O-N 3.22Å; C45-N50 VanDerWaalsContact O-N 3.11Å; C45-N50 PolarHBondContact O-OD1 3Å; Y48-N50 PolarHBondContact O-N 3.09Å
51	C	92.4	Very high	85.7	Confident	39 Å²	39	68.3 Å²	68.3	26%	0.264	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-65.9	149.7	175.9	-62.7	0	0	0	0	112.3	H40 C45 S46 F55	H40-C51 VanDerWaalsContact O-CA 3.26Å; H40-C51 WeakPolarHBondContact O-CA 3.17Å; C45-C51 HydrophobicContact CB-CB 3.96Å; C45-C51 WeakPolarHBondContact CB-SG 3.41Å; C45-C51 VanDerWaalsContact SG-CA 3.5Å; C45-C51 WeakPolarHBondContact SG-CB 3.25Å; C45-C51 CovalentContact SG-SG 2.04Å; C45-C51 PolarHBondContact SG-SG 2.94Å; S46-C51 PolarHBondContact N-SG 2.52Å; S46-C51 PolarHBondContact OG-SG 3.04Å; S46-C51 VanDerWaalsContact OG-SG 3.38Å; C51-F55 HydrophobicContact CB-CB 3.85Å; C51-F55 HydrophobicContact CB-CD1 3.99Å; C51-F55 HydrophobicContact CB-CG 4Å; C51-F55 VanDerWaalsContact SG-CD1 3.53Å
52	C	93.3	Very high	83.9	Confident	5 Å²	5	72.6 Å²	72.6	3%	0.034	41%	0.412	C	S	.	.			trans	-67.7	153	165.7	-55.7	0	0	0	0	110.1	C25 C39 H40 C41 D54 F55	C25-C52 VanDerWaalsContact SG-CB 3.52Å; C39-C52 HydrophobicContact CB-CB 3.83Å; C39-C52 WeakPolarHBondContact CB-SG 3.26Å; C39-C52 WeakPolarHBondContact SG-CA 3.43Å; C39-C52 WeakPolarHBondContact SG-CB 3.46Å; C39-C52 CovalentContact SG-SG 2.03Å; C39-C52 PolarHBondContact SG-SG 2.92Å; H40-C52 PolarHBondContact O-N 2.83Å; H40-C52 VanDerWaalsContact O-N 3.1Å; C41-C52 PolarHBondContact SG-SG 3.14Å; C52-D54 VanDerWaalsContact CB-OD1 3.23Å; C52-D54 WeakPolarHBondContact CB-OD1 3.37Å; C52-D54 PolarHBondContact O-N 2.94Å; C52-D54 VanDerWaalsContact O-N 3.09Å; C52-F55 WeakPolarHBondContact O-CB 2.99Å; C52-F55 PolarHBondContact O-N 2.03Å
53	S	91.6	Very high	82.2	Confident	127 Å²	127	74 Å²	74	89%	0.888	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-21.1	-176.4	53.9	0	0	0	0	113.9
54	D	88.8	Confident	80.7	Confident	32 Å²	32	75.4 Å²	75.4	17%	0.171	43%	0.434	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	6.3	178.1	61.2	-7.9	0	0	0	113.4	S24 C25 C52 E56 A57 L58	S24-D54 WeakPolarHBondContact CA-OD1 3.2Å; S24-D54 VanDerWaalsContact CA-OD2 3.25Å; S24-D54 WeakPolarHBondContact CA-OD2 3.17Å; S24-D54 WeakPolarHBondContact CB-OD2 3.2Å; S24-D54 PolarHBondContact OG-OD2 3Å; C25-D54 VanDerWaalsContact N-CG 3.29Å; C25-D54 PolarHBondContact N-OD1 3.42Å; C25-D54 PolarHBondContact N-OD2 3.44Å; C52-D54 VanDerWaalsContact CB-OD1 3.23Å; C52-D54 WeakPolarHBondContact CB-OD1 3.37Å; C52-D54 PolarHBondContact O-N 2.94Å; C52-D54 VanDerWaalsContact O-N 3.09Å; D54-E56 PolarHBondContact O-N 3.16Å; D54-A57 PolarHBondContact O-N 2.97Å; D54-L58 HydrophobicContact CB-CD1 3.93Å; D54-L58 HydrophobicContact CB-CG 4.23Å; D54-L58 WeakPolarHBondContact O-CB 3.01Å; D54-L58 WeakPolarHBondContact O-CG 3.49Å; D54-L58 PolarHBondContact O-N 2.97Å; D54-L58 VanDerWaalsContact OD2-CD1 3.26Å; D54-L58 WeakPolarHBondContact OD2-CD1 3.45Å
55	F	85.6	Confident	79.4	Confident	7 Å²	7	69.8 Å²	69.8	3%	0.031	41%	0.41	C	S	.	.	H	α-helix	trans	-57.6	-46.1	-179.8	174.7	-108.3	0	0	0	112.4	C41 C45 C51 C52 A57 L58 C59 N60	C41-F55 HydrophobicContact CB-CD2 4.36Å; C45-F55 VanDerWaalsContact SG-CE1 3.57Å; C51-F55 HydrophobicContact CB-CB 3.85Å; C51-F55 HydrophobicContact CB-CD1 3.99Å; C51-F55 HydrophobicContact CB-CG 4Å; C51-F55 VanDerWaalsContact SG-CD1 3.53Å; C52-F55 WeakPolarHBondContact O-CB 2.99Å; C52-F55 PolarHBondContact O-N 2.03Å; F55-A57 VanDerWaalsContact C-N 3.33Å; F55-A57 PolarHBondContact O-N 3.48Å; F55-L58 PolarHBondContact O-N 3.45Å; F55-C59 HydrophobicContact CD2-CB 3.67Å; F55-C59 HydrophobicContact CE2-CB 3.65Å; F55-C59 WeakPolarHBondContact O-CA 3.05Å; F55-C59 WeakPolarHBondContact O-CB 3.44Å; F55-C59 PolarHBondContact O-N 3.17Å; F55-N60 VanDerWaalsContact CE1-ND2 3.26Å; F55-N60 WeakPolarHBondContact CE1-ND2 3.3Å; F55-N60 PolarHBondContact O-N 2.84Å; F55-N60 VanDerWaalsContact O-N 3.17Å
56	E	81.9	Confident	78.7	Confident	119 Å²	119	73.6 Å²	73.6	56%	0.556	43%	0.43	S	S	*	.	H	α-helix	trans	-62.5	-42.2	178.9	-75.3	-61.1	151.2	0	0	111.9	D54 N60 A61	D54-E56 PolarHBondContact O-N 3.16Å; E56-N60 CarbonylContact O-C 3.5Å; E56-N60 VanDerWaalsContact O-C 3.27Å; E56-N60 PolarHBondContact O-N 3.38Å; E56-N60 PolarHBondContact OE1-ND2 3.44Å; E56-N60 VanDerWaalsContact OE2-CB 3.22Å; E56-N60 WeakPolarHBondContact OE2-CB 3.39Å; E56-N60 PolarHBondContact OE2-ND2 3.23Å; E56-A61 PolarHBondContact O-N 3.24Å
57	A	77.2	Confident	78.5	Confident	72 Å²	72	71.3 Å²	71.3	60%	0.595	41%	0.414	S	S	*	.	H	α-helix	trans	-76.8	-25.2	-176.8	0	0	0	0	0	114	D54 F55 A61	D54-A57 PolarHBondContact O-N 2.97Å; F55-A57 VanDerWaalsContact C-N 3.33Å; F55-A57 PolarHBondContact O-N 3.48Å; A57-A61 VanDerWaalsContact O-CB 3.31Å; A57-A61 WeakPolarHBondContact O-CB 3.22Å
58	L	80.9	Confident	78.3	Confident	83 Å²	83	64.6 Å²	64.6	44%	0.435	38%	0.383	S	S	.	.	H	α-helix	trans	-109.9	-32.5	-173.8	-64.3	-178.3	0	0	0	114.1	C25 Q26 D54 F55	C25-L58 HydrophobicContact CB-CB 4.28Å; C25-L58 HydrophobicContact CB-CD1 4.27Å; Q26-L58 HydrophobicContact CB-CD1 4.15Å; D54-L58 HydrophobicContact CB-CD1 3.93Å; D54-L58 HydrophobicContact CB-CG 4.23Å; D54-L58 WeakPolarHBondContact O-CB 3.01Å; D54-L58 WeakPolarHBondContact O-CG 3.49Å; D54-L58 PolarHBondContact O-N 2.97Å; D54-L58 VanDerWaalsContact OD2-CD1 3.26Å; D54-L58 WeakPolarHBondContact OD2-CD1 3.45Å; F55-L58 PolarHBondContact O-N 3.45Å
59	C	79.3	Confident	78	Confident	31 Å²	31	65 Å²	65	21%	0.209	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-27.2	-174.2	-56.7	0	0	0	0	113.6	C25 C29 F55	C25-C59 VanDerWaalsContact CB-SG 3.59Å; C29-C59 WeakPolarHBondContact CA-SG 3.08Å; C29-C59 HydrophobicContact CB-CB 3.78Å; C29-C59 WeakPolarHBondContact CB-SG 3.45Å; C29-C59 WeakPolarHBondContact SG-CA 3.31Å; C29-C59 WeakPolarHBondContact SG-CB 3.38Å; C29-C59 CovalentContact SG-SG 2.04Å; C29-C59 PolarHBondContact SG-SG 2.04Å; F55-C59 HydrophobicContact CD2-CB 3.67Å; F55-C59 HydrophobicContact CE2-CB 3.65Å; F55-C59 WeakPolarHBondContact O-CA 3.05Å; F55-C59 WeakPolarHBondContact O-CB 3.44Å; F55-C59 PolarHBondContact O-N 3.17Å
60	N	71.6	Confident	77.5	Confident	81 Å²	81	61.5 Å²	61.5	43%	0.433	39%	0.392	S	S	.	.	S	Bend	trans	-103.7	4.1	170.9	-73.1	-13.9	0	0	0	113.5	F55 E56	F55-N60 VanDerWaalsContact CE1-ND2 3.26Å; F55-N60 WeakPolarHBondContact CE1-ND2 3.3Å; F55-N60 PolarHBondContact O-N 2.84Å; F55-N60 VanDerWaalsContact O-N 3.17Å; E56-N60 CarbonylContact O-C 3.5Å; E56-N60 VanDerWaalsContact O-C 3.27Å; E56-N60 PolarHBondContact O-N 3.38Å; E56-N60 PolarHBondContact OE1-ND2 3.44Å; E56-N60 VanDerWaalsContact OE2-CB 3.22Å; E56-N60 WeakPolarHBondContact OE2-CB 3.39Å; E56-N60 PolarHBondContact OE2-ND2 3.23Å
61	A	60	Low	77	Confident	46 Å²	46	61.6 Å²	61.6	38%	0.38	39%	0.389	S	S	.	.	S	Bend	trans	-56.1	136.6	166.5	0	0	0	0	0	108.5	E56 A57 A63	E56-A61 PolarHBondContact O-N 3.24Å; A57-A61 VanDerWaalsContact O-CB 3.31Å; A57-A61 WeakPolarHBondContact O-CB 3.22Å; A61-A63 PolarHBondContact O-N 3.04Å
62	P	53.3	Low	76.7	Confident	89 Å²	89	62.2 Å²	62.2	58%	0.578	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-49.8	122.7	177.2	-23	30.3	0	0	0	108.7
63	A	54.1	Low	76.2	Confident	50 Å²	50	64.9 Å²	64.9	41%	0.413	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-48.9	139.7	-176	0	0	0	0	0	110.1	A61 G65 L66	A61-A63 PolarHBondContact O-N 3.04Å; A63-G65 PolarHBondContact O-N 3.05Å; A63-G65 VanDerWaalsContact O-N 3.08Å; A63-L66 HydrophobicContact CB-CD1 4.15Å; A63-L66 PolarHBondContact O-N 3.38Å
64	P	54.5	Low	75.8	Confident	126 Å²	126	60.6 Å²	60.6	82%	0.818	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	123.3	178.3	-23.5	30.5	0	0	0	109.5
65	G	62.8	Low	75.6	Confident	2 Å²	2	68.1 Å²	68.1	2%	0.021	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	99	9.9	178.1	0	0	0	0	0	116.8	A63 K81 C82	A63-G65 PolarHBondContact O-N 3.05Å; A63-G65 VanDerWaalsContact O-N 3.08Å; G65-K81 PolarHBondContact O-N 2.88Å; G65-C82 PolarHBondContact O-N 3.18Å; G65-C82 PolarHBondContact O-SG 3.01Å
66	L	76.4	Confident	75.6	Confident	80 Å²	80	75.3 Å²	75.3	42%	0.419	45%	0.447	S	S	.	.	S	Bend	trans	-112.8	-14.5	175.6	-73.4	177.9	0	0	0	115.8	A63 K81 C82	A63-L66 HydrophobicContact CB-CD1 4.15Å; A63-L66 PolarHBondContact O-N 3.38Å; L66-K81 HydrophobicContact CD2-CB 3.79Å; L66-K81 HydrophobicContact CD2-CD 3.74Å; L66-K81 HydrophobicContact CD2-CG 4.39Å; L66-K81 HydrophobicContact CG-CD 4.26Å; L66-C82 WeakPolarHBondContact CA-SG 3.37Å; L66-C82 PolarHBondContact O-SG 2.53Å
67	S	83.1	Confident	75.7	Confident	21 Å²	21	72.7 Å²	72.7	15%	0.147	44%	0.437	C	S	.	.			trans	-133.9	152.7	-178	166.7	0	0	0	0	111.3	Q69 R71 D97	S67-Q69 PolarHBondContact OG-N 3.08Å; S67-R71 WeakPolarHBondContact O-CD 3.42Å; S67-R71 PolarHBondContact O-NH1 3.19Å; S67-D97 VanDerWaalsContact CA-OD2 3.27Å; S67-D97 WeakPolarHBondContact CA-OD2 3.4Å; S67-D97 WeakPolarHBondContact CB-OD2 3.5Å; S67-D97 PolarHBondContact OG-OD2 2.88Å
68	C	86.7	Confident	76	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	44%	0.44	C	S	.	.			trans	-87.8	0.8	174.9	-70.1	0	0	0	0	116.4	G70 R71 C84 C95 D97 Y98 L101 C102	C68-G70 PolarHBondContact O-N 3.13Å; C68-R71 PolarHBondContact O-N 2.91Å; C68-C84 WeakPolarHBondContact CA-SG 3.39Å; C68-C84 HydrophobicContact CB-CB 3.79Å; C68-C84 WeakPolarHBondContact CB-SG 3.43Å; C68-C84 WeakPolarHBondContact SG-CB 3.46Å; C68-C84 CovalentContact SG-SG 2.03Å; C68-C84 PolarHBondContact SG-SG 2.89Å; C68-C95 VanDerWaalsContact SG-CB 3.53Å; C68-D97 VanDerWaalsContact N-CG 3.31Å; C68-D97 PolarHBondContact N-OD1 3.42Å; C68-D97 PolarHBondContact N-OD2 3.33Å; C68-Y98 VanDerWaalsContact SG-CA 3.55Å; C68-L101 HydrophobicContact CB-CB 4.23Å; C68-L101 HydrophobicContact CB-CD1 4.29Å; C68-C102 VanDerWaalsContact CB-SG 3.51Å
69	Q	84.3	Confident	75.9	Confident	154 Å²	154	77.8 Å²	77.8	72%	0.72	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	114.8	176.6	-170.6	167.2	-4.1	0	0	111	S67 R71 L101	S67-Q69 PolarHBondContact OG-N 3.08Å; Q69-R71 VanDerWaalsContact C-N 3.28Å; Q69-R71 PolarHBondContact O-N 3.49Å; Q69-L101 HydrophobicContact CB-CD1 4.07Å
70	G	77.4	Confident	76	Confident	86 Å²	86	77.7 Å²	77.7	89%	0.887	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.7	12.1	-176.9	0	0	0	0	0	115.6	C68	C68-G70 PolarHBondContact O-N 3.13Å
71	R	82.6	Confident	76.6	Confident	43 Å²	43	81.6 Å²	81.6	16%	0.162	47%	0.467	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121	4.3	-175.5	-69.8	176.5	56.5	-141.8	0.1	114.6	S67 C68 Q69 G73 E74 N80 C82 C84	S67-R71 WeakPolarHBondContact O-CD 3.42Å; S67-R71 PolarHBondContact O-NH1 3.19Å; C68-R71 PolarHBondContact O-N 2.91Å; Q69-R71 VanDerWaalsContact C-N 3.28Å; Q69-R71 PolarHBondContact O-N 3.49Å; R71-G73 PolarHBondContact O-N 3.41Å; R71-E74 IonicContact CZ-OE1 2.79Å; R71-E74 IonicContact CZ-OE2 3.82Å; R71-E74 IonicContact NE-OE2 2.63Å; R71-E74 PolarHBondContact NE-OE2 3.34Å; R71-E74 IonicContact NH2-OE1 2.74Å; R71-E74 PolarHBondContact NH2-OE1 3.04Å; R71-E74 IonicContact NH2-OE2 2.74Å; R71-E74 PolarHBondContact NH2-OE2 3.31Å; R71-E74 VanDerWaalsContact O-CB 3.29Å; R71-E74 WeakPolarHBondContact O-CB 3.35Å; R71-E74 WeakPolarHBondContact O-CG 3.49Å; R71-E74 PolarHBondContact O-N 2.8Å; R71-E74 VanDerWaalsContact O-N 3.1Å; R71-N80 PolarHBondContact NH2-ND2 3.07Å; R71-C82 PolarHBondContact NH2-O 3.49Å; R71-C84 HydrophobicContact CB-CB 4Å; R71-C84 VanDerWaalsContact O-CB 3.23Å; R71-C84 WeakPolarHBondContact O-CB 3.46Å
72	C	86.5	Confident	78	Confident	52 Å²	52	80 Å²	80	35%	0.351	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	128.3	178.6	-56.9	0	0	0	0	111.6	C102	C72-C102 WeakPolarHBondContact CA-SG 3.3Å; C72-C102 HydrophobicContact CB-CB 3.76Å; C72-C102 WeakPolarHBondContact CB-SG 3.42Å; C72-C102 WeakPolarHBondContact SG-CA 3.38Å; C72-C102 WeakPolarHBondContact SG-CB 3.14Å; C72-C102 CovalentContact SG-SG 2.04Å; C72-C102 PolarHBondContact SG-SG 2.87Å
73	G	82.8	Confident	79.8	Confident	62 Å²	62	76.1 Å²	76.1	64%	0.639	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	17.4	-177.3	0	0	0	0	0	114.8	R71 C84	R71-G73 PolarHBondContact O-N 3.41Å; G73-C84 PolarHBondContact N-O 2.95Å
74	E	83.1	Confident	81.6	Confident	36 Å²	36	73.7 Å²	73.7	17%	0.168	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-58.5	157.7	178.6	63.5	170.6	-156.9	0	0	113.8	R71 N80 H83 C84 N85	R71-E74 IonicContact CZ-OE1 2.79Å; R71-E74 IonicContact CZ-OE2 3.82Å; R71-E74 IonicContact NE-OE2 2.63Å; R71-E74 PolarHBondContact NE-OE2 3.34Å; R71-E74 IonicContact NH2-OE1 2.74Å; R71-E74 PolarHBondContact NH2-OE1 3.04Å; R71-E74 IonicContact NH2-OE2 2.74Å; R71-E74 PolarHBondContact NH2-OE2 3.31Å; R71-E74 VanDerWaalsContact O-CB 3.29Å; R71-E74 WeakPolarHBondContact O-CB 3.35Å; R71-E74 WeakPolarHBondContact O-CG 3.49Å; R71-E74 PolarHBondContact O-N 2.8Å; R71-E74 VanDerWaalsContact O-N 3.1Å; E74-N80 PolarHBondContact OE1-ND2 2.69Å; E74-N80 PolarHBondContact OE2-ND2 3.01Å; E74-H83 VanDerWaalsContact OE1-CA 3.28Å; E74-H83 WeakPolarHBondContact OE1-CA 3.07Å; E74-H83 IonicContact OE1-CG 2.87Å; E74-H83 IonicContact OE1-ND1 3.23Å; E74-H83 PolarHBondContact OE1-ND1 3.18Å; E74-C84 HydrophobicContact CG-CB 4.18Å; E74-C84 PolarHBondContact OE1-N 2.04Å; E74-N85 HydrophobicContact CG-CB 4.34Å; E74-N85 WeakPolarHBondContact O-CB 3.37Å
75	K	83.6	Confident	83.1	Confident	191 Å²	191	68.6 Å²	68.6	83%	0.83	37%	0.373	S	S	*	.	P	Polyproline II helix	trans	-77.1	152.1	166.6	-67.2	-177.4	-178.8	177.4	0	109.9	N77	K75-N77 PolarHBondContact O-N 3.48Å
76	Y	86.6	Confident	84.2	Confident	157 Å²	157	72.8 Å²	72.8	62%	0.616	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-59.2	129.4	174.6	178.2	-99.2	0	0	0	111.2	H83	Y76-H83 AromaticContact CD2-CE1 3.44Å; Y76-H83 VanDerWaalsContact CD2-CE1 3.44Å; Y76-H83 WeakPolarHBondContact CD2-CE1 3.01Å; Y76-H83 AromaticContact CD2-ND1 3.99Å; Y76-H83 AromaticContact CD2-NE2 3.63Å; Y76-H83 AromaticContact CE2-CE1 3.62Å; Y76-H83 AromaticContact CE2-NE2 3.37Å; Y76-H83 WeakPolarHBondContact CE2-NE2 3.15Å
77	N	82.3	Confident	84.7	Confident	65 Å²	65	75 Å²	75	35%	0.348	40%	0.404	S	S	.	.			trans	-135.7	113.1	174.1	178.4	-4.4	0	0	0	109.7	K75 Q79 N80 H83	K75-N77 PolarHBondContact O-N 3.48Å; N77-Q79 PolarHBondContact O-N 3.02Å; N77-Q79 WeakPolarHBondContact OD1-CB 3.47Å; N77-Q79 PolarHBondContact OD1-N 3.46Å; N77-N80 WeakPolarHBondContact O-CB 3.37Å; N77-N80 PolarHBondContact O-N 2.9Å; N77-H83 PolarHBondContact O-CE1 3.13Å
78	S	84.3	Confident	85	Confident	95 Å²	95	74 Å²	74	66%	0.664	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-10.1	-177.3	54	0	0	0	0	115.1
79	Q	78.9	Confident	84.8	Confident	167 Å²	167	76 Å²	76	78%	0.78	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-15.7	174.2	-60.7	-171.3	-35.1	0	0	113.1	N77	N77-Q79 PolarHBondContact O-N 3.02Å; N77-Q79 WeakPolarHBondContact OD1-CB 3.47Å; N77-Q79 PolarHBondContact OD1-N 3.46Å
80	N	81.5	Confident	84.9	Confident	28 Å²	28	74.7 Å²	74.7	15%	0.15	42%	0.416	C	S	.	.			trans	-77	137.8	177.7	-66.7	-15.3	0	0	0	110.2	R71 E74 N77 C82	R71-N80 PolarHBondContact NH2-ND2 3.07Å; E74-N80 PolarHBondContact OE1-ND2 2.69Å; E74-N80 PolarHBondContact OE2-ND2 3.01Å; N77-N80 WeakPolarHBondContact O-CB 3.37Å; N77-N80 PolarHBondContact O-N 2.9Å; N80-C82 VanDerWaalsContact C-N 3.31Å; N80-C82 WeakPolarHBondContact CB-O 3.18Å
81	K	84	Confident	85.3	Confident	164 Å²	164	76.5 Å²	76.5	71%	0.713	40%	0.401	S	S	*	.	S	Bend	trans	-74.2	-25.9	175.4	-68.7	-177.7	176.6	-179.7	0	112.5	G65 L66	G65-K81 PolarHBondContact O-N 2.88Å; L66-K81 HydrophobicContact CD2-CB 3.79Å; L66-K81 HydrophobicContact CD2-CD 3.74Å; L66-K81 HydrophobicContact CD2-CG 4.39Å; L66-K81 HydrophobicContact CG-CD 4.26Å
82	C	89.8	Confident	85.4	Confident	13 Å²	13	82 Å²	82	9%	0.088	43%	0.433	C	S	.	.	S	Bend	trans	-149.2	162.1	172.9	63.8	0	0	0	0	111.2	G65 L66 R71 N80 N93 C95	G65-C82 PolarHBondContact O-N 3.18Å; G65-C82 PolarHBondContact O-SG 3.01Å; L66-C82 WeakPolarHBondContact CA-SG 3.37Å; L66-C82 PolarHBondContact O-SG 2.53Å; R71-C82 PolarHBondContact NH2-O 3.49Å; N80-C82 VanDerWaalsContact C-N 3.31Å; N80-C82 WeakPolarHBondContact CB-O 3.18Å; C82-N93 CarbonylContact C-O 3.56Å; C82-N93 VanDerWaalsContact CA-O 3.22Å; C82-N93 WeakPolarHBondContact CA-O 3.41Å; C82-N93 WeakPolarHBondContact CB-O 3.34Å; C82-C95 HydrophobicContact CB-CB 3.85Å; C82-C95 WeakPolarHBondContact CB-SG 3.39Å; C82-C95 WeakPolarHBondContact SG-CA 3.27Å; C82-C95 WeakPolarHBondContact SG-CB 3.18Å; C82-C95 CovalentContact SG-SG 2.03Å; C82-C95 PolarHBondContact SG-SG 3.38Å
83	H	91.2	Very high	85.6	Confident	6 Å²	6	81.4 Å²	81.4	3%	0.028	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-119.8	153.6	-171.1	-68.6	-77.6	0	0	0	113.3	E74 Y76 N77 C88 N93 C94 C95	E74-H83 VanDerWaalsContact OE1-CA 3.28Å; E74-H83 WeakPolarHBondContact OE1-CA 3.07Å; E74-H83 IonicContact OE1-CG 2.87Å; E74-H83 IonicContact OE1-ND1 3.23Å; E74-H83 PolarHBondContact OE1-ND1 3.18Å; Y76-H83 AromaticContact CD2-CE1 3.44Å; Y76-H83 VanDerWaalsContact CD2-CE1 3.44Å; Y76-H83 WeakPolarHBondContact CD2-CE1 3.01Å; Y76-H83 AromaticContact CD2-ND1 3.99Å; Y76-H83 AromaticContact CD2-NE2 3.63Å; Y76-H83 AromaticContact CE2-CE1 3.62Å; Y76-H83 AromaticContact CE2-NE2 3.37Å; Y76-H83 WeakPolarHBondContact CE2-NE2 3.15Å; N77-H83 PolarHBondContact O-CE1 3.13Å; H83-C88 HydrophobicContact CB-CB 3.78Å; H83-N93 VanDerWaalsContact CD2-CG 3.44Å; H83-N93 PolarHBondContact CD2-ND2 3.45Å; H83-N93 PolarHBondContact N-O 2.86Å; H83-C94 CarbonylContact O-C 3.55Å; H83-C94 VanDerWaalsContact O-CA 3.27Å; H83-C94 WeakPolarHBondContact O-CA 3.21Å; H83-C95 PolarHBondContact O-N 3.28Å
84	C	91.1	Very high	86	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	41%	0.41	C	S	.	.			trans	-125.8	28.9	-178	-56.6	0	0	0	0	112.2	C68 R71 G73 E74 C95 Y98	C68-C84 WeakPolarHBondContact CA-SG 3.39Å; C68-C84 HydrophobicContact CB-CB 3.79Å; C68-C84 WeakPolarHBondContact CB-SG 3.43Å; C68-C84 WeakPolarHBondContact SG-CB 3.46Å; C68-C84 CovalentContact SG-SG 2.03Å; C68-C84 PolarHBondContact SG-SG 2.89Å; R71-C84 HydrophobicContact CB-CB 4Å; R71-C84 VanDerWaalsContact O-CB 3.23Å; R71-C84 WeakPolarHBondContact O-CB 3.46Å; G73-C84 PolarHBondContact N-O 2.95Å; E74-C84 HydrophobicContact CG-CB 4.18Å; E74-C84 PolarHBondContact OE1-N 2.04Å; C84-C95 PolarHBondContact SG-SG 3.01Å; C84-Y98 HydrophobicContact CB-CD2 4.22Å
85	N	87.2	Confident	86.4	Confident	19 Å²	19	79 Å²	79	10%	0.102	40%	0.404	C	S	.	.	S	Bend	trans	-102.5	162.1	178	69.1	56.8	0	0	0	110.9	E74 K87 C88 Y98	E74-N85 HydrophobicContact CG-CB 4.34Å; E74-N85 WeakPolarHBondContact O-CB 3.37Å; N85-K87 PolarHBondContact O-N 2.74Å; N85-K87 WeakPolarHBondContact OD1-CA 3.09Å; N85-K87 PolarHBondContact OD1-N 2.03Å; N85-C88 WeakPolarHBondContact O-CB 3.32Å; N85-C88 PolarHBondContact O-N 3.5Å; N85-C88 PolarHBondContact O-SG 2.89Å; N85-C88 PolarHBondContact OD1-N 3.04Å; N85-C88 VanDerWaalsContact OD1-N 3.09Å; N85-Y98 PolarHBondContact O-OH 3.38Å
86	T	84.9	Confident	86.7	Confident	89 Å²	89	75.8 Å²	75.8	55%	0.546	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-17.8	-175.3	56.5	0	0	0	0	114.6
87	K	87.4	Confident	86.7	Confident	127 Å²	127	69.7 Å²	69.7	55%	0.552	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	0.5	-179.6	-62.7	-172.1	176.6	-174.8	0	113.2	N85 G89 D90 H91	N85-K87 PolarHBondContact O-N 2.74Å; N85-K87 WeakPolarHBondContact OD1-CA 3.09Å; N85-K87 PolarHBondContact OD1-N 2.03Å; K87-G89 PolarHBondContact O-N 3Å; K87-D90 PolarHBondContact O-N 3.3Å; K87-H91 PolarHBondContact O-CD2 2.95Å; K87-H91 PolarHBondContact O-N 3.47Å
88	C	88.5	Confident	86.8	Confident	0 Å²	0	68.4 Å²	68.4	0%	0	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-26.9	-176.3	70.5	0	0	0	0	112.6	H83 N85 H91 N92 N93 C94	H83-C88 HydrophobicContact CB-CB 3.78Å; N85-C88 WeakPolarHBondContact O-CB 3.32Å; N85-C88 PolarHBondContact O-N 3.5Å; N85-C88 PolarHBondContact O-SG 2.89Å; N85-C88 PolarHBondContact OD1-N 3.04Å; N85-C88 VanDerWaalsContact OD1-N 3.09Å; C88-H91 CarbonylContact O-C 3.53Å; C88-H91 PolarHBondContact O-N 2.78Å; C88-N92 PolarHBondContact O-N 2.75Å; C88-N93 WeakPolarHBondContact CA-OD1 2.97Å; C88-N93 VanDerWaalsContact CB-OD1 3.28Å; C88-N93 WeakPolarHBondContact CB-OD1 3.46Å; C88-N93 PolarHBondContact O-N 2.79Å; C88-N93 PolarHBondContact O-OD1 3.42Å; C88-C94 HydrophobicContact CB-CB 3.91Å; C88-C94 WeakPolarHBondContact CB-SG 3.48Å; C88-C94 WeakPolarHBondContact SG-CA 3.35Å; C88-C94 WeakPolarHBondContact SG-CB 3.44Å; C88-C94 CovalentContact SG-SG 2.04Å; C88-C94 PolarHBondContact SG-SG 3.46Å
89	G	83.4	Confident	86.7	Confident	41 Å²	41	69.1 Å²	69.1	42%	0.423	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-47.2	175.7	0	0	0	0	0	111.6	K87 H91 N92 C94	K87-G89 PolarHBondContact O-N 3Å; G89-H91 PolarHBondContact O-N 2.85Å; G89-H91 VanDerWaalsContact O-N 3.12Å; G89-N92 PolarHBondContact O-N 2.98Å; G89-N92 PolarHBondContact O-OD1 3Å; G89-C94 PolarHBondContact N-SG 3.27Å
90	D	86.3	Confident	86.8	Confident	128 Å²	128	65.5 Å²	65.5	68%	0.684	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-29.8	177	-56.6	-22.4	0	0	0	112.6	K87	K87-D90 PolarHBondContact O-N 3.3Å
91	H	85.6	Confident	86.8	Confident	123 Å²	123	67.8 Å²	67.8	57%	0.569	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.8	4.1	-177.7	-63.6	-60.1	0	0	0	113.9	K87 C88 G89 N93	K87-H91 PolarHBondContact O-CD2 2.95Å; K87-H91 PolarHBondContact O-N 3.47Å; C88-H91 CarbonylContact O-C 3.53Å; C88-H91 PolarHBondContact O-N 2.78Å; G89-H91 PolarHBondContact O-N 2.85Å; G89-H91 VanDerWaalsContact O-N 3.12Å; H91-N93 PolarHBondContact O-N 2.74Å
92	N	85.3	Confident	86.6	Confident	159 Å²	159	60.2 Å²	60.2	85%	0.85	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.7	40.1	-176.4	-73	-37.2	0	0	0	113.6	C88 G89	C88-N92 PolarHBondContact O-N 2.75Å; G89-N92 PolarHBondContact O-N 2.98Å; G89-N92 PolarHBondContact O-OD1 3Å
93	N	90.4	Very high	85.3	Confident	40 Å²	40	62.2 Å²	62.2	21%	0.214	37%	0.369	C	S	.	.			trans	-128	18.7	-177.1	69	6.6	0	0	0	113	C82 H83 C88 H91	C82-N93 CarbonylContact C-O 3.56Å; C82-N93 VanDerWaalsContact CA-O 3.22Å; C82-N93 WeakPolarHBondContact CA-O 3.41Å; C82-N93 WeakPolarHBondContact CB-O 3.34Å; H83-N93 VanDerWaalsContact CD2-CG 3.44Å; H83-N93 PolarHBondContact CD2-ND2 3.45Å; H83-N93 PolarHBondContact N-O 2.86Å; C88-N93 WeakPolarHBondContact CA-OD1 2.97Å; C88-N93 VanDerWaalsContact CB-OD1 3.28Å; C88-N93 WeakPolarHBondContact CB-OD1 3.46Å; C88-N93 PolarHBondContact O-N 2.79Å; C88-N93 PolarHBondContact O-OD1 3.42Å; H91-N93 PolarHBondContact O-N 2.74Å
94	C	91.2	Very high	83.7	Confident	43 Å²	43	66.8 Å²	66.8	29%	0.291	40%	0.402	S	S	.	.	B	Isolated β-bridge	trans	-61.9	147.7	174	-63	0	0	0	0	112.1	H83 C88 G89 Y98	H83-C94 CarbonylContact O-C 3.55Å; H83-C94 VanDerWaalsContact O-CA 3.27Å; H83-C94 WeakPolarHBondContact O-CA 3.21Å; C88-C94 HydrophobicContact CB-CB 3.91Å; C88-C94 WeakPolarHBondContact CB-SG 3.48Å; C88-C94 WeakPolarHBondContact SG-CA 3.35Å; C88-C94 WeakPolarHBondContact SG-CB 3.44Å; C88-C94 CovalentContact SG-SG 2.04Å; C88-C94 PolarHBondContact SG-SG 3.46Å; G89-C94 PolarHBondContact N-SG 3.27Å; C94-Y98 HydrophobicContact CB-CD1 4.19Å; C94-Y98 HydrophobicContact CB-CG 4.12Å
95	C	90.5	Very high	81.6	Confident	5 Å²	5	69.6 Å²	69.6	3%	0.034	42%	0.422	C	S	.	.			trans	-66.6	151.5	166.4	-57.2	0	0	0	0	110.4	C68 C82 H83 C84 D97 Y98	C68-C95 VanDerWaalsContact SG-CB 3.53Å; C82-C95 HydrophobicContact CB-CB 3.85Å; C82-C95 WeakPolarHBondContact CB-SG 3.39Å; C82-C95 WeakPolarHBondContact SG-CA 3.27Å; C82-C95 WeakPolarHBondContact SG-CB 3.18Å; C82-C95 CovalentContact SG-SG 2.03Å; C82-C95 PolarHBondContact SG-SG 3.38Å; H83-C95 PolarHBondContact O-N 3.28Å; C84-C95 PolarHBondContact SG-SG 3.01Å; C95-D97 WeakPolarHBondContact CB-OD1 3.28Å; C95-D97 PolarHBondContact O-N 2.64Å; C95-D97 VanDerWaalsContact O-N 3.13Å; C95-Y98 WeakPolarHBondContact O-CB 3.49Å; C95-Y98 PolarHBondContact O-N 3.31Å
96	S	90.1	Very high	79.3	Confident	123 Å²	123	71.4 Å²	71.4	86%	0.86	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-24.7	-176.7	53.5	0	0	0	0	113.5
97	D	86	Confident	77.5	Confident	28 Å²	28	70.8 Å²	70.8	15%	0.15	46%	0.456	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98	6.9	179.1	62.9	-8.9	0	0	0	113.2	S67 C68 C95 T99 S100 L101	S67-D97 VanDerWaalsContact CA-OD2 3.27Å; S67-D97 WeakPolarHBondContact CA-OD2 3.4Å; S67-D97 WeakPolarHBondContact CB-OD2 3.5Å; S67-D97 PolarHBondContact OG-OD2 2.88Å; C68-D97 VanDerWaalsContact N-CG 3.31Å; C68-D97 PolarHBondContact N-OD1 3.42Å; C68-D97 PolarHBondContact N-OD2 3.33Å; C95-D97 WeakPolarHBondContact CB-OD1 3.28Å; C95-D97 PolarHBondContact O-N 2.64Å; C95-D97 VanDerWaalsContact O-N 3.13Å; D97-T99 PolarHBondContact O-N 2.7Å; D97-S100 WeakPolarHBondContact CA-OG 3.31Å; D97-S100 PolarHBondContact O-N 3.17Å; D97-S100 PolarHBondContact O-OG 3.44Å; D97-L101 HydrophobicContact CB-CD1 3.95Å; D97-L101 HydrophobicContact CB-CG 4.2Å; D97-L101 WeakPolarHBondContact O-CB 3.41Å; D97-L101 WeakPolarHBondContact O-CG 3.36Å; D97-L101 PolarHBondContact O-N 3.49Å; D97-L101 WeakPolarHBondContact OD2-CD1 3.46Å
98	Y	85.6	Confident	75.1	Confident	39 Å²	39	67.6 Å²	67.6	15%	0.153	46%	0.459	C	S	.	.	H	α-helix	trans	-57.7	-49.5	-178.6	175	-104.8	0	0	0	112	C68 C84 N85 C94 C95 S100 L101 C102 G103	C68-Y98 VanDerWaalsContact SG-CA 3.55Å; C84-Y98 HydrophobicContact CB-CD2 4.22Å; N85-Y98 PolarHBondContact O-OH 3.38Å; C94-Y98 HydrophobicContact CB-CD1 4.19Å; C94-Y98 HydrophobicContact CB-CG 4.12Å; C95-Y98 WeakPolarHBondContact O-CB 3.49Å; C95-Y98 PolarHBondContact O-N 3.31Å; Y98-S100 VanDerWaalsContact C-N 3.34Å; Y98-S100 PolarHBondContact O-N 2.86Å; Y98-L101 PolarHBondContact O-N 2.7Å; Y98-C102 HydrophobicContact CD2-CB 3.72Å; Y98-C102 HydrophobicContact CE2-CB 3.68Å; Y98-C102 HydrophobicContact CG-CB 4.5Å; Y98-C102 CarbonylContact O-C 3.33Å; Y98-C102 VanDerWaalsContact O-CA 3.32Å; Y98-C102 WeakPolarHBondContact O-CA 3.3Å; Y98-C102 VanDerWaalsContact O-CB 3.3Å; Y98-C102 WeakPolarHBondContact O-CB 3.3Å; Y98-C102 PolarHBondContact O-N 3.47Å; Y98-G103 PolarHBondContact O-N 3.26Å; Y98-G103 VanDerWaalsContact O-N 3.16Å
99	T	82.8	Confident	72.9	Confident	110 Å²	110	73.9 Å²	73.9	68%	0.675	49%	0.493	S	S	*	.	H	α-helix	trans	-63.8	-39.5	180	-52.7	0	0	0	0	111.8	D97 G103	D97-T99 PolarHBondContact O-N 2.7Å; T99-G103 WeakPolarHBondContact O-CA 3.31Å; T99-G103 PolarHBondContact O-N 3.07Å; T99-G103 VanDerWaalsContact O-N 3.1Å
100	S	81.1	Confident	70.7	Confident	91 Å²	91	75.6 Å²	75.6	64%	0.636	51%	0.51	S	S	*	.	H	α-helix	trans	-74.7	-32.2	-179.2	47.5	0	0	0	0	114.2	D97 Y98	D97-S100 WeakPolarHBondContact CA-OG 3.31Å; D97-S100 PolarHBondContact O-N 3.17Å; D97-S100 PolarHBondContact O-OG 3.44Å; Y98-S100 VanDerWaalsContact C-N 3.34Å; Y98-S100 PolarHBondContact O-N 2.86Å
101	L	80.8	Confident	68.8	Low	75 Å²	75	70.8 Å²	70.8	39%	0.393	49%	0.491	S	S	.	.	H	α-helix	trans	-102.1	-33	-174.7	-63.5	-177.5	0	0	0	113.3	C68 Q69 D97 Y98	C68-L101 HydrophobicContact CB-CB 4.23Å; C68-L101 HydrophobicContact CB-CD1 4.29Å; Q69-L101 HydrophobicContact CB-CD1 4.07Å; D97-L101 HydrophobicContact CB-CD1 3.95Å; D97-L101 HydrophobicContact CB-CG 4.2Å; D97-L101 WeakPolarHBondContact O-CB 3.41Å; D97-L101 WeakPolarHBondContact O-CG 3.36Å; D97-L101 PolarHBondContact O-N 3.49Å; D97-L101 WeakPolarHBondContact OD2-CD1 3.46Å; Y98-L101 PolarHBondContact O-N 2.7Å
102	C	78.6	Confident	67.3	Low	6 Å²	6	68.6 Å²	68.6	4%	0.041	49%	0.489	C	S	.	.	H	α-helix	trans	-113.4	-13.5	-177.3	-54.2	0	0	0	0	113.4	C68 C72 Y98 S104 S105	C68-C102 VanDerWaalsContact CB-SG 3.51Å; C72-C102 WeakPolarHBondContact CA-SG 3.3Å; C72-C102 HydrophobicContact CB-CB 3.76Å; C72-C102 WeakPolarHBondContact CB-SG 3.42Å; C72-C102 WeakPolarHBondContact SG-CA 3.38Å; C72-C102 WeakPolarHBondContact SG-CB 3.14Å; C72-C102 CovalentContact SG-SG 2.04Å; C72-C102 PolarHBondContact SG-SG 2.87Å; Y98-C102 HydrophobicContact CD2-CB 3.72Å; Y98-C102 HydrophobicContact CE2-CB 3.68Å; Y98-C102 HydrophobicContact CG-CB 4.5Å; Y98-C102 CarbonylContact O-C 3.33Å; Y98-C102 VanDerWaalsContact O-CA 3.32Å; Y98-C102 WeakPolarHBondContact O-CA 3.3Å; Y98-C102 VanDerWaalsContact O-CB 3.3Å; Y98-C102 WeakPolarHBondContact O-CB 3.3Å; Y98-C102 PolarHBondContact O-N 3.47Å; C102-S104 PolarHBondContact O-N 2.85Å; C102-S105 PolarHBondContact O-N 3.18Å
103	G	62.9	Low	66.9	Low	54 Å²	54	65.8 Å²	65.8	56%	0.557	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-12.9	178.8	0	0	0	0	0	114.7	Y98 T99	Y98-G103 PolarHBondContact O-N 3.26Å; Y98-G103 VanDerWaalsContact O-N 3.16Å; T99-G103 WeakPolarHBondContact O-CA 3.31Å; T99-G103 PolarHBondContact O-N 3.07Å; T99-G103 VanDerWaalsContact O-N 3.1Å
104	S	57.8	Low	67	Low	102 Å²	102	63.9 Å²	63.9	71%	0.713	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	-0.6	176.3	-47	0	0	0	0	113.7	C102	C102-S104 PolarHBondContact O-N 2.85Å
105	S	47.9	Very low	67.1	Low	60 Å²	60	65.1 Å²	65.1	42%	0.42	47%	0.47	S	S	.	.	S	Bend	trans	-129.4	85.4	-174.8	-62.7	0	0	0	0	110.9	C102	C102-S105 PolarHBondContact O-N 3.18Å
106	G	39.2	Very low	67.3	Low	56 Å²	56	68.2 Å²	68.2	58%	0.577	49%	0.487	S	S	*	.	S	Bend	trans	108.1	100.7	164.8	0	0	0	0	0	114.9
107	G	45.8	Very low	67.4	Low	77 Å²	77	65.4 Å²	65.4	79%	0.794	47%	0.471	S	S	*	.			trans	11.4	102.5	163	0	0	0	0	0	118.7
108	G	37.5	Very low	68	Low	59 Å²	59	66.8 Å²	66.8	61%	0.608	48%	0.476	S	S	*	.			trans	168.9	83.9	168	0	0	0	0	0	113	G110	G108-G110 PolarHBondContact O-N 3.43Å
109	D	41.9	Very low	68.6	Low	133 Å²	133	65 Å²	65	71%	0.711	47%	0.469	S	S	*	.			trans	41.1	64.5	137.8	-158.8	17.2	0	0	0	118.1
110	G	37.9	Very low	69.3	Low	76 Å²	76	64 Å²	64	78%	0.784	46%	0.456	S	S	*	.			trans	-137.8	-2.8	176.8	0	0	0	0	0	116	G108	G108-G110 PolarHBondContact O-N 3.43Å
111	G	45.4	Very low	70.1	Confident	27 Å²	27	63.6 Å²	63.6	28%	0.278	45%	0.453	S	S	.	.	S	Bend	trans	-104.1	118.4	163.5	0	0	0	0	0	106.7	D113	G111-D113 PolarHBondContact O-N 2.94Å
112	S	54.3	Low	71	Confident	77 Å²	77	60.3 Å²	60.3	54%	0.538	44%	0.436	S	S	.	.			trans	-29.2	113	-173.9	60.2	0	0	0	0	111	I114 K230	S112-I114 PolarHBondContact O-N 3.37Å; S112-K230 WeakPolarHBondContact O-CE 3.46Å; S112-K230 PolarHBondContact O-NZ 3.19Å; S112-K230 WeakPolarHBondContact OG-CE 3.23Å; S112-K230 PolarHBondContact OG-NZ 3.38Å
113	D	76.6	Confident	71.9	Confident	100 Å²	100	60.1 Å²	60.1	54%	0.535	43%	0.434	S	S	.	.			trans	-50.3	121	-170.2	-123.9	-1.5	0	0	0	109.3	G111 T115	G111-D113 PolarHBondContact O-N 2.94Å; D113-T115 PolarHBondContact O-N 3.14Å
114	I	92.6	Very high	73.6	Confident	1 Å²	1	59.9 Å²	59.9	1%	0.005	42%	0.419	C	S	.	.			trans	-67.1	111.3	-176.9	-66.6	168.4	0	0	0	106.5	S112 E118 I119 F226 L227 K230 R232 T347 R348	S112-I114 PolarHBondContact O-N 3.37Å; I114-E118 HydrophobicContact CG2-CB 4.23Å; I114-I119 HydrophobicContact CG2-CD1 4.29Å; I114-I119 HydrophobicContact CG2-CG1 3.7Å; I114-F226 HydrophobicContact CD1-CE1 4.22Å; I114-F226 HydrophobicContact CG1-CZ 4.49Å; I114-F226 HydrophobicContact CG2-CE1 4.07Å; I114-F226 HydrophobicContact CG2-CZ 3.63Å; I114-L227 HydrophobicContact CD1-CD2 4.18Å; I114-K230 HydrophobicContact CD1-CB 3.88Å; I114-K230 HydrophobicContact CD1-CG 4.16Å; I114-K230 HydrophobicContact CG1-CB 3.92Å; I114-K230 HydrophobicContact CG1-CD 4.32Å; I114-K230 VanDerWaalsContact CG1-CE 3.48Å; I114-K230 HydrophobicContact CG1-CG 3.93Å; I114-R232 HydrophobicContact CD1-CG 3.88Å; I114-T347 HydrophobicContact CB-CG2 4.13Å; I114-T347 HydrophobicContact CD1-CG2 3.67Å; I114-T347 HydrophobicContact CG1-CG2 4.49Å; I114-T347 HydrophobicContact CG2-CG2 3.91Å; I114-R348 VanDerWaalsContact O-CZ 3.31Å; I114-R348 PolarHBondContact O-NH1 3.39Å; I114-R348 PolarHBondContact O-NH2 2.71Å
115	T	93.7	Very high	75.6	Confident	68 Å²	68	56.5 Å²	56.5	42%	0.417	40%	0.397	S	S	.	.			trans	-74.6	157.6	-172.8	64.5	0	0	0	0	111.6	D113 A117 E118 I119	D113-T115 PolarHBondContact O-N 3.14Å; T115-A117 PolarHBondContact O-N 2.94Å; T115-E118 PolarHBondContact N-OE2 3.39Å; T115-E118 PolarHBondContact O-N 3.24Å; T115-E118 VanDerWaalsContact O-N 3.14Å; T115-E118 VanDerWaalsContact OG1-CG 3.27Å; T115-E118 WeakPolarHBondContact OG1-CG 3.46Å; T115-E118 PolarHBondContact OG1-N 3Å; T115-E118 PolarHBondContact OG1-OE2 2.89Å; T115-I119 WeakPolarHBondContact O-CG1 3.48Å; T115-I119 PolarHBondContact O-N 3.24Å
116	D	94.1	Very high	78	Confident	70 Å²	70	53.7 Å²	53.7	37%	0.374	38%	0.377	S	S	.	.	H	α-helix	trans	-59.9	-29.6	174.5	-75.7	5.9	0	0	0	112.3	K120 R348	D116-K120 VanDerWaalsContact O-CG 3.29Å; D116-K120 WeakPolarHBondContact O-CG 3.19Å; D116-K120 PolarHBondContact O-N 3.44Å; D116-K120 VanDerWaalsContact O-N 3.09Å; D116-R348 IonicContact OD1-CZ 3.22Å; D116-R348 IonicContact OD1-NE 2.89Å; D116-R348 PolarHBondContact OD1-NE 3.13Å; D116-R348 IonicContact OD1-NH2 2.77Å; D116-R348 PolarHBondContact OD1-NH2 2.89Å
117	A	93.9	Very high	80.8	Confident	64 Å²	64	53.6 Å²	53.6	53%	0.529	36%	0.36	S	S	.	.	H	α-helix	trans	-67.9	-44.2	175.4	0	0	0	0	0	111.4	T115 K120 S121	T115-A117 PolarHBondContact O-N 2.94Å; A117-K120 PolarHBondContact O-N 2.94Å; A117-S121 PolarHBondContact O-N 2.61Å; A117-S121 PolarHBondContact O-OG 3.2Å; A117-S121 VanDerWaalsContact O-OG 3.13Å
118	E	97.4	Very high	83.3	Confident	57 Å²	57	53.9 Å²	53.9	27%	0.266	35%	0.354	S	S	.	.	H	α-helix	trans	-63.9	-41.1	175.6	-71.8	167.6	125.8	0	0	111.8	I114 T115 K120 S121 M122 F226 K230	I114-E118 HydrophobicContact CG2-CB 4.23Å; T115-E118 PolarHBondContact N-OE2 3.39Å; T115-E118 PolarHBondContact O-N 3.24Å; T115-E118 VanDerWaalsContact O-N 3.14Å; T115-E118 VanDerWaalsContact OG1-CG 3.27Å; T115-E118 WeakPolarHBondContact OG1-CG 3.46Å; T115-E118 PolarHBondContact OG1-N 3Å; T115-E118 PolarHBondContact OG1-OE2 2.89Å; E118-K120 VanDerWaalsContact C-N 3.34Å; E118-K120 PolarHBondContact O-N 3.47Å; E118-S121 PolarHBondContact O-N 2.79Å; E118-M122 WeakPolarHBondContact O-CB 3.34Å; E118-M122 PolarHBondContact O-N 3.34Å; E118-F226 HydrophobicContact CB-CE2 4.17Å; E118-F226 HydrophobicContact CB-CZ 4.11Å; E118-K230 VanDerWaalsContact CD-NZ 3.32Å; E118-K230 WeakPolarHBondContact OE1-CE 3.46Å; E118-K230 IonicContact OE1-NZ 3.48Å; E118-K230 PolarHBondContact OE1-NZ 2.87Å; E118-K230 IonicContact OE2-NZ 3.81Å; E118-K230 PolarHBondContact OE2-NZ 2.99Å
119	I	98.3	Very high	86.2	Confident	1 Å²	1	52.7 Å²	52.7	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-60.6	-44.2	176.2	-66.5	171.2	0	0	0	111	I114 T115 M122 S123 L343 T347 R348 L355	I114-I119 HydrophobicContact CG2-CD1 4.29Å; I114-I119 HydrophobicContact CG2-CG1 3.7Å; T115-I119 WeakPolarHBondContact O-CG1 3.48Å; T115-I119 PolarHBondContact O-N 3.24Å; I119-M122 PolarHBondContact O-N 3.01Å; I119-S123 PolarHBondContact O-N 3.32Å; I119-S123 PolarHBondContact O-OG 2.96Å; I119-L343 HydrophobicContact CG2-CD2 4.4Å; I119-T347 HydrophobicContact CD1-CG2 4.33Å; I119-T347 WeakPolarHBondContact CD1-OG1 3.45Å; I119-T347 HydrophobicContact CG1-CG2 4.35Å; I119-R348 HydrophobicContact CD1-CG 4.08Å; I119-R348 VanDerWaalsContact CD1-CZ 3.47Å; I119-L355 HydrophobicContact CG2-CD2 3.3Å
120	K	98.2	Very high	88.8	Confident	91 Å²	91	46.5 Å²	46.5	40%	0.396	30%	0.301	S	S	.	.	H	α-helix	trans	-64.7	-43	176.7	-74.1	174.5	179.5	-175.8	0	112.2	D116 A117 E118 M122 S123 E124	D116-K120 VanDerWaalsContact O-CG 3.29Å; D116-K120 WeakPolarHBondContact O-CG 3.19Å; D116-K120 PolarHBondContact O-N 3.44Å; D116-K120 VanDerWaalsContact O-N 3.09Å; A117-K120 PolarHBondContact O-N 2.94Å; E118-K120 VanDerWaalsContact C-N 3.34Å; E118-K120 PolarHBondContact O-N 3.47Å; K120-M122 VanDerWaalsContact C-N 3.31Å; K120-S123 PolarHBondContact O-N 3.38Å; K120-S123 PolarHBondContact O-OG 3.29Å; K120-E124 WeakPolarHBondContact O-CG 3.28Å; K120-E124 PolarHBondContact O-N 3.24Å; K120-E124 VanDerWaalsContact O-N 3.12Å
121	S	97.9	Very high	91.7	Very high	82 Å²	82	47.3 Å²	47.3	57%	0.573	30%	0.295	S	S	*	.	H	α-helix	trans	-62.1	-42.3	175.9	-64.8	0	0	0	0	111.2	A117 E118 E124 A125	A117-S121 PolarHBondContact O-N 2.61Å; A117-S121 PolarHBondContact O-OG 3.2Å; A117-S121 VanDerWaalsContact O-OG 3.13Å; E118-S121 PolarHBondContact O-N 2.79Å; S121-E124 PolarHBondContact O-N 3.06Å; S121-A125 PolarHBondContact O-N 2.7Å
122	M	98.6	Very high	94.2	Very high	6 Å²	6	47.8 Å²	47.8	3%	0.03	29%	0.291	C	S	.	.	H	α-helix	trans	-63.5	-45.9	176.6	-168.4	65.8	-104.2	0	0	111.1	E118 I119 K120 E124 A125 L126 E222 F226 L343	E118-M122 WeakPolarHBondContact O-CB 3.34Å; E118-M122 PolarHBondContact O-N 3.34Å; I119-M122 PolarHBondContact O-N 3.01Å; K120-M122 VanDerWaalsContact C-N 3.31Å; M122-E124 VanDerWaalsContact C-N 3.29Å; M122-E124 PolarHBondContact O-N 3.06Å; M122-A125 HydrophobicContact CE-CB 3.71Å; M122-A125 PolarHBondContact O-N 2.03Å; M122-A125 VanDerWaalsContact O-N 3.1Å; M122-L126 HydrophobicContact CE-CD2 3.72Å; M122-L126 HydrophobicContact CE-CG 3.82Å; M122-L126 WeakPolarHBondContact O-CG 3.47Å; M122-L126 PolarHBondContact O-N 2.84Å; M122-E222 HydrophobicContact CE-CB 4.29Å; M122-E222 HydrophobicContact CE-CG 3.4Å; M122-E222 VanDerWaalsContact CE-CG 3.4Å; M122-F226 HydrophobicContact CB-CE1 4.44Å; M122-F226 HydrophobicContact CG-CB 4.48Å; M122-F226 HydrophobicContact CG-CD1 3.89Å; M122-F226 HydrophobicContact CG-CE1 4.24Å; M122-F226 HydrophobicContact CG-CG 4.07Å; M122-F226 HydrophobicContact SD-CB 3.39Å; M122-F226 WeakPolarHBondContact SD-CB 3.08Å; M122-F226 HydrophobicContact SD-CD1 3.89Å; M122-F226 HydrophobicContact SD-CD2 3.97Å; M122-F226 HydrophobicContact SD-CG 3.47Å; M122-F226 WeakPolarHBondContact SD-CG 3.39Å; M122-L343 HydrophobicContact CB-CD2 4Å; M122-L343 HydrophobicContact CG-CD1 4.27Å; M122-L343 HydrophobicContact CG-CD2 3.82Å
123	S	98.7	Very high	96.2	Very high	1 Å²	1	46.8 Å²	46.8	1%	0.007	28%	0.276	C	S	.	.	H	α-helix	trans	-63.1	-33.2	179.1	64.2	0	0	0	0	113.6	I119 K120 Y127 S356	I119-S123 PolarHBondContact O-N 3.32Å; I119-S123 PolarHBondContact O-OG 2.96Å; K120-S123 PolarHBondContact O-N 3.38Å; K120-S123 PolarHBondContact O-OG 3.29Å; S123-Y127 WeakPolarHBondContact O-CB 3.2Å; S123-Y127 PolarHBondContact O-N 3.1Å; S123-S356 CarbonylContact C-O 3.48Å; S123-S356 WeakPolarHBondContact CB-O 3.39Å; S123-S356 PolarHBondContact OG-N 2.94Å; S123-S356 PolarHBondContact OG-O 3.01Å
124	E	98.6	Very high	97.2	Very high	50 Å²	50	42 Å²	42	23%	0.234	25%	0.251	C	S	.	.	H	α-helix	trans	-68.3	-39.2	172.3	-70.5	-66.3	171.2	0	0	112.3	K120 S121 M122 Y127 A128 S356 L357 G358 G359	K120-E124 WeakPolarHBondContact O-CG 3.28Å; K120-E124 PolarHBondContact O-N 3.24Å; K120-E124 VanDerWaalsContact O-N 3.12Å; S121-E124 PolarHBondContact O-N 3.06Å; M122-E124 VanDerWaalsContact C-N 3.29Å; M122-E124 PolarHBondContact O-N 3.06Å; E124-Y127 WeakPolarHBondContact O-CB 3.32Å; E124-Y127 PolarHBondContact O-N 3.32Å; E124-A128 PolarHBondContact O-N 3.22Å; E124-S356 PolarHBondContact N-O 3.1Å; E124-S356 WeakPolarHBondContact OE1-CB 2.93Å; E124-S356 PolarHBondContact OE1-OG 3.16Å; E124-L357 PolarHBondContact OE1-N 2.77Å; E124-L357 VanDerWaalsContact OE1-N 3.12Å; E124-G358 PolarHBondContact OE1-N 3.44Å; E124-G358 WeakPolarHBondContact OE2-CA 3.29Å; E124-G358 PolarHBondContact OE2-N 2.86Å; E124-G359 WeakPolarHBondContact OE1-CA 3.34Å; E124-G359 PolarHBondContact OE1-N 3.42Å; E124-G359 PolarHBondContact OE2-N 2.98Å
125	A	98.6	Very high	97.4	Very high	31 Å²	31	44.2 Å²	44.2	26%	0.256	27%	0.266	S	S	.	.	H	α-helix	trans	-64.4	-45.2	175.1	0	0	0	0	0	111.2	S121 M122 Y127 A128 L129	S121-A125 PolarHBondContact O-N 2.7Å; M122-A125 HydrophobicContact CE-CB 3.71Å; M122-A125 PolarHBondContact O-N 2.03Å; M122-A125 VanDerWaalsContact O-N 3.1Å; A125-Y127 VanDerWaalsContact C-N 3.29Å; A125-Y127 PolarHBondContact O-N 3.05Å; A125-A128 PolarHBondContact O-N 3.38Å; A125-L129 WeakPolarHBondContact O-CB 3.39Å; A125-L129 VanDerWaalsContact O-CG 3.23Å; A125-L129 WeakPolarHBondContact O-CG 3.3Å; A125-L129 PolarHBondContact O-N 2.75Å
126	L	98.8	Very high	97.4	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-59.2	-40.6	174.2	-62.3	177.5	0	0	0	111.5	M122 L129 D130 L219 L223 F336 A339 V340 L343	M122-L126 HydrophobicContact CE-CD2 3.72Å; M122-L126 HydrophobicContact CE-CG 3.82Å; M122-L126 WeakPolarHBondContact O-CG 3.47Å; M122-L126 PolarHBondContact O-N 2.84Å; L126-L129 PolarHBondContact O-N 3.18Å; L126-D130 PolarHBondContact O-N 3.33Å; L126-L219 HydrophobicContact CB-CG 4.34Å; L126-L219 HydrophobicContact CD2-CD2 3.99Å; L126-L219 HydrophobicContact CD2-CG 3.82Å; L126-L219 WeakPolarHBondContact CD2-O 3.23Å; L126-L219 WeakPolarHBondContact O-CD1 3.2Å; L126-L223 HydrophobicContact CD2-CB 4.06Å; L126-F336 HydrophobicContact CB-CD2 4.35Å; L126-F336 HydrophobicContact CB-CE2 4.06Å; L126-A339 HydrophobicContact CD1-CB 4.07Å; L126-A339 HydrophobicContact CD2-CB 4.49Å; L126-V340 HydrophobicContact CD1-CG2 4.07Å; L126-L343 HydrophobicContact CD1-CD2 4.27Å
127	Y	98	Very high	97.5	Very high	55 Å²	55	44.9 Å²	44.9	22%	0.216	28%	0.284	C	S	.	.	H	α-helix	trans	-62.8	-43.5	177.1	173.4	-101.4	0	0	0	112.5	S123 E124 A125 L129 D130 P309 L357	S123-Y127 WeakPolarHBondContact O-CB 3.2Å; S123-Y127 PolarHBondContact O-N 3.1Å; E124-Y127 WeakPolarHBondContact O-CB 3.32Å; E124-Y127 PolarHBondContact O-N 3.32Å; A125-Y127 VanDerWaalsContact C-N 3.29Å; A125-Y127 PolarHBondContact O-N 3.05Å; Y127-L129 VanDerWaalsContact C-N 3.3Å; Y127-L129 PolarHBondContact O-N 3.19Å; Y127-D130 PolarHBondContact O-N 3.14Å; Y127-P309 HydrophobicContact CD2-CG 3.63Å; Y127-P309 VanDerWaalsContact CE2-CD 3.48Å; Y127-P309 HydrophobicContact CE2-CG 3.58Å; Y127-L357 HydrophobicContact CD2-CD1 3.42Å; Y127-L357 VanDerWaalsContact CD2-CD1 3.42Å; Y127-L357 HydrophobicContact CD2-CD2 4.34Å; Y127-L357 HydrophobicContact CD2-CG 3.52Å; Y127-L357 HydrophobicContact CE2-CD1 4.29Å; Y127-L357 HydrophobicContact CE2-CD2 4.47Å; Y127-L357 HydrophobicContact CE2-CG 3.91Å; Y127-L357 HydrophobicContact CG-CD1 3.87Å; Y127-L357 HydrophobicContact CG-CG 4.15Å
128	A	97.6	Very high	97.7	Very high	82 Å²	82	43.5 Å²	43.5	68%	0.678	27%	0.266	S	S	*	.	H	α-helix	trans	-67.5	-31.8	177.1	0	0	0	0	0	112.5	E124 A125	E124-A128 PolarHBondContact O-N 3.22Å; A125-A128 PolarHBondContact O-N 3.38Å
129	L	98.5	Very high	97.7	Very high	35 Å²	35	40.9 Å²	40.9	18%	0.183	25%	0.254	C	S	.	.	H	α-helix	trans	-87.4	-4.9	-178.4	-68.6	174.8	0	0	0	114.2	A125 L126 Y127 S131 E218 L219 E222	A125-L129 WeakPolarHBondContact O-CB 3.39Å; A125-L129 VanDerWaalsContact O-CG 3.23Å; A125-L129 WeakPolarHBondContact O-CG 3.3Å; A125-L129 PolarHBondContact O-N 2.75Å; L126-L129 PolarHBondContact O-N 3.18Å; Y127-L129 VanDerWaalsContact C-N 3.3Å; Y127-L129 PolarHBondContact O-N 3.19Å; L129-S131 PolarHBondContact O-N 2.99Å; L129-E218 HydrophobicContact CD1-CG 4.39Å; L129-E218 HydrophobicContact CD2-CB 4.32Å; L129-E218 VanDerWaalsContact CD2-CD 3.47Å; L129-E218 HydrophobicContact CD2-CG 3.74Å; L129-L219 HydrophobicContact CB-CB 3.95Å; L129-E222 HydrophobicContact CD1-CB 3.58Å; L129-E222 HydrophobicContact CD1-CG 3.74Å
130	D	98.3	Very high	97.7	Very high	3 Å²	3	44.1 Å²	44.1	2%	0.016	27%	0.27	C	S	.	.			trans	-72.7	69.7	176.9	-170.1	7	0	0	0	111.3	L126 Y127 N132 K133 L219 S333 F336	L126-D130 PolarHBondContact O-N 3.33Å; Y127-D130 PolarHBondContact O-N 3.14Å; D130-N132 VanDerWaalsContact C-N 3.3Å; D130-N132 PolarHBondContact O-N 3.42Å; D130-K133 HydrophobicContact CB-CD 4.14Å; D130-K133 VanDerWaalsContact O-CD 3.23Å; D130-K133 WeakPolarHBondContact O-CD 3.27Å; D130-K133 WeakPolarHBondContact O-CG 3.13Å; D130-K133 PolarHBondContact OD1-N 2.94Å; D130-K133 WeakPolarHBondContact OD2-CB 3.03Å; D130-L219 HydrophobicContact CB-CD1 3.89Å; D130-S333 VanDerWaalsContact CG-OG 3.3Å; D130-S333 WeakPolarHBondContact OD1-CB 2.99Å; D130-S333 PolarHBondContact OD1-OG 2.99Å; D130-S333 PolarHBondContact OD2-N 2.87Å; D130-F336 HydrophobicContact CB-CB 4.34Å; D130-F336 HydrophobicContact CB-CD2 3.86Å; D130-F336 HydrophobicContact CB-CG 4.38Å; D130-F336 WeakPolarHBondContact OD2-CB 3.48Å
131	S	97.1	Very high	97.7	Very high	93 Å²	93	41.6 Å²	41.6	65%	0.65	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-19.4	-177.6	54.3	0	0	0	0	113.3	L129	L129-S131 PolarHBondContact O-N 2.99Å
132	N	98.1	Very high	97.7	Very high	36 Å²	36	39.7 Å²	39.7	19%	0.193	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-10.5	-179	-80.5	-23.9	0	0	0	113.6	D130 K175 Y178 E335	D130-N132 VanDerWaalsContact C-N 3.3Å; D130-N132 PolarHBondContact O-N 3.42Å; N132-K175 HydrophobicContact CB-CD 4.09Å; N132-K175 PolarHBondContact O-NZ 3.29Å; N132-Y178 HydrophobicContact CB-CE2 4.15Å; N132-Y178 WeakPolarHBondContact O-CE2 3.11Å; N132-Y178 PolarHBondContact O-OH 2.92Å; N132-E335 VanDerWaalsContact CB-OE1 3.25Å; N132-E335 WeakPolarHBondContact CB-OE1 3.44Å; N132-E335 PolarHBondContact ND2-OE1 3.21Å
133	K	97.4	Very high	97.5	Very high	56 Å²	56	41.3 Å²	41.3	24%	0.243	26%	0.256	C	S	.	.	S	Bend	trans	-57	148.2	174.3	75.8	-167.7	179.3	82	0	113	D130 Y308 G331	D130-K133 HydrophobicContact CB-CD 4.14Å; D130-K133 VanDerWaalsContact O-CD 3.23Å; D130-K133 WeakPolarHBondContact O-CD 3.27Å; D130-K133 WeakPolarHBondContact O-CG 3.13Å; D130-K133 PolarHBondContact OD1-N 2.94Å; D130-K133 WeakPolarHBondContact OD2-CB 3.03Å; K133-Y308 PolarHBondContact NZ-O 2.87Å; K133-G331 WeakPolarHBondContact CB-O 3.36Å
134	P	97.7	Very high	97.5	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	27%	0.265	C	S	.	.	P	Polyproline II helix	trans	-63.5	142.8	172.1	25.9	-35.2	0	0	0	112.2	E138 L139 L172 Y178 W282 G331	P134-E138 HydrophobicContact CB-CB 3.91Å; P134-L139 HydrophobicContact CB-CB 3.66Å; P134-L139 HydrophobicContact CG-CB 3.78Å; P134-L139 HydrophobicContact CG-CD2 3.8Å; P134-L139 HydrophobicContact CG-CG 4.44Å; P134-L172 HydrophobicContact CB-CD1 3.99Å; P134-L172 HydrophobicContact CB-CD2 4.21Å; P134-L172 HydrophobicContact CG-CD1 4.49Å; P134-Y178 WeakPolarHBondContact CD-OH 3.22Å; P134-W282 HydrophobicContact CG-CH2 4.43Å; P134-W282 HydrophobicContact CG-CZ2 4.5Å; P134-G331 WeakPolarHBondContact CD-O 2.98Å
135	S	96.1	Very high	97.4	Very high	46 Å²	46	42 Å²	42	32%	0.322	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-70.2	166.8	160.9	63.8	0	0	0	0	111.6	S137 E138 L139	S135-S137 PolarHBondContact O-N 2.89Å; S135-S137 VanDerWaalsContact O-N 3.12Å; S135-S137 PolarHBondContact OG-OG 3Å; S135-E138 VanDerWaalsContact CB-OE2 3.32Å; S135-E138 WeakPolarHBondContact CB-OE2 3.44Å; S135-E138 PolarHBondContact N-OE2 3.07Å; S135-E138 PolarHBondContact O-N 3.21Å; S135-E138 VanDerWaalsContact OG-CG 3.3Å; S135-E138 WeakPolarHBondContact OG-CG 3.47Å; S135-E138 PolarHBondContact OG-N 3Å; S135-E138 PolarHBondContact OG-OE2 3.39Å; S135-L139 PolarHBondContact O-N 3.25Å; S135-L139 VanDerWaalsContact O-N 3.14Å
136	A	94.2	Very high	97.4	Very high	67 Å²	67	47.9 Å²	47.9	55%	0.554	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.6	176.5	0	0	0	0	0	113.9
137	S	96	Very high	97.3	Very high	86 Å²	86	48.1 Å²	48.1	60%	0.601	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-24.3	172.7	45.6	0	0	0	0	113.4	S135 F166	S135-S137 PolarHBondContact O-N 2.89Å; S135-S137 VanDerWaalsContact O-N 3.12Å; S135-S137 PolarHBondContact OG-OG 3Å; S137-F166 WeakPolarHBondContact O-CE1 3.42Å
138	E	97.8	Very high	97.2	Very high	35 Å²	35	48.6 Å²	48.6	16%	0.164	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-19.5	-179.6	-72.7	168.1	122.2	0	0	112.5	P134 S135 L167 D168 S171	P134-E138 HydrophobicContact CB-CB 3.91Å; S135-E138 VanDerWaalsContact CB-OE2 3.32Å; S135-E138 WeakPolarHBondContact CB-OE2 3.44Å; S135-E138 PolarHBondContact N-OE2 3.07Å; S135-E138 PolarHBondContact O-N 3.21Å; S135-E138 VanDerWaalsContact OG-CG 3.3Å; S135-E138 WeakPolarHBondContact OG-CG 3.47Å; S135-E138 PolarHBondContact OG-N 3Å; S135-E138 PolarHBondContact OG-OE2 3.39Å; E138-L167 CarbonylContact O-C 3.59Å; E138-L167 VanDerWaalsContact O-CA 3.3Å; E138-L167 WeakPolarHBondContact O-CA 3.49Å; E138-D168 HydrophobicContact CB-CB 4.11Å; E138-D168 HydrophobicContact CG-CB 4.06Å; E138-D168 PolarHBondContact O-N 3.39Å; E138-S171 PolarHBondContact OE1-OG 2.8Å
139	L	98.4	Very high	97.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	121.1	174.8	171.1	62.5	0	0	0	110.5	P134 S135 I141 F164 L167 W282 Y308 I330	P134-L139 HydrophobicContact CB-CB 3.66Å; P134-L139 HydrophobicContact CG-CB 3.78Å; P134-L139 HydrophobicContact CG-CD2 3.8Å; P134-L139 HydrophobicContact CG-CG 4.44Å; S135-L139 PolarHBondContact O-N 3.25Å; S135-L139 VanDerWaalsContact O-N 3.14Å; L139-I141 HydrophobicContact CD1-CG2 4.05Å; L139-I141 HydrophobicContact CG-CG2 4.39Å; L139-F164 HydrophobicContact CD1-CD1 3.63Å; L139-F164 HydrophobicContact CD1-CE1 3.89Å; L139-L167 HydrophobicContact CB-CD1 3.97Å; L139-L167 HydrophobicContact CD1-CD1 3.72Å; L139-L167 HydrophobicContact CG-CD1 4.33Å; L139-W282 HydrophobicContact CD1-CZ3 4.24Å; L139-W282 HydrophobicContact CD2-CH2 4.38Å; L139-W282 HydrophobicContact CD2-CZ3 4.21Å; L139-Y308 HydrophobicContact CB-CD2 4.27Å; L139-Y308 HydrophobicContact CB-CE2 3.7Å; L139-Y308 HydrophobicContact CD2-CD1 4.05Å; L139-Y308 HydrophobicContact CD2-CD2 3.95Å; L139-Y308 HydrophobicContact CD2-CE1 3.73Å; L139-Y308 HydrophobicContact CD2-CE2 3.64Å; L139-Y308 HydrophobicContact CD2-CG 4.15Å; L139-Y308 HydrophobicContact CG-CD2 4.34Å; L139-Y308 HydrophobicContact CG-CE1 4.26Å; L139-Y308 HydrophobicContact CG-CE2 3.61Å; L139-Y308 WeakPolarHBondContact O-CE2 3.27Å; L139-Y308 PolarHBondContact O-OH 2.04Å; L139-Y308 VanDerWaalsContact O-OH 3.12Å; L139-I330 HydrophobicContact CD2-CG2 4.27Å
140	I	98.1	Very high	96.9	Very high	69 Å²	69	51 Å²	51	35%	0.354	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.8	176.4	-52.6	174.3	0	0	0	108.4	K165 F166	I140-K165 HydrophobicContact CG2-CB 4.29Å; I140-K165 HydrophobicContact CG2-CD 4.2Å; I140-K165 WeakPolarHBondContact O-CB 3.34Å; I140-K165 PolarHBondContact O-N 3.46Å; I140-F166 HydrophobicContact CB-CB 4.08Å; I140-F166 HydrophobicContact CD1-CB 4.15Å; I140-F166 HydrophobicContact CD1-CD1 4.15Å; I140-F166 HydrophobicContact CD1-CG 4.49Å; I140-F166 HydrophobicContact CG1-CB 4.26Å; I140-F166 HydrophobicContact CG1-CD1 4.27Å; I140-F166 PolarHBondContact N-O 2.7Å; I140-F166 PolarHBondContact O-N 2.9Å
141	I	97.9	Very high	96.8	Very high	39 Å²	39	55.1 Å²	55.1	20%	0.2	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	154	173.8	67.1	174	0	0	0	111.4	L139 L163 F164 Y308 L312 I330	L139-I141 HydrophobicContact CD1-CG2 4.05Å; L139-I141 HydrophobicContact CG-CG2 4.39Å; I141-L163 CarbonylContact C-O 3.11Å; I141-L163 WeakPolarHBondContact CA-O 3.14Å; I141-L163 HydrophobicContact CB-CD1 4.23Å; I141-L163 WeakPolarHBondContact CB-O 3.37Å; I141-F164 HydrophobicContact CG2-CD1 3.93Å; I141-F164 HydrophobicContact CG2-CE1 4.03Å; I141-Y308 HydrophobicContact CD1-CE1 4.45Å; I141-L312 HydrophobicContact CD1-CD1 4.24Å; I141-I330 HydrophobicContact CG2-CG2 4.36Å
142	D	97.5	Very high	96.7	Very high	41 Å²	41	51.1 Å²	51.1	22%	0.219	29%	0.29	C	S	.	.			trans	-118.7	91.7	168.5	-175.7	10.3	0	0	0	108.1	Q144 R161 L163	D142-Q144 HydrophobicContact CB-CG 4.44Å; D142-Q144 WeakPolarHBondContact O-CG 3.29Å; D142-Q144 PolarHBondContact O-N 3.36Å; D142-Q144 PolarHBondContact O-NE2 3.31Å; D142-Q144 WeakPolarHBondContact OD1-CG 3.23Å; D142-R161 IonicContact OD1-NH2 3.16Å; D142-R161 IonicContact OD2-CZ 2.76Å; D142-R161 IonicContact OD2-NE 3.52Å; D142-R161 PolarHBondContact OD2-NE 2.97Å; D142-R161 IonicContact OD2-NH2 3.19Å; D142-R161 PolarHBondContact OD2-NH2 3.47Å; D142-L163 PolarHBondContact N-O 2.91Å
143	S	95.3	Very high	96.6	Very high	40 Å²	40	52.7 Å²	52.7	28%	0.28	30%	0.304	S	S	.	.			trans	-70	-14.7	-173.5	59.4	0	0	0	0	114.3	A145 Y296 H299	S143-A145 PolarHBondContact O-N 2.81Å; S143-Y296 PolarHBondContact O-OH 2.89Å; S143-H299 PolarHBondContact O-CE1 3.14Å; S143-H299 VanDerWaalsContact O-CE1 3.28Å; S143-H299 PolarHBondContact O-ND1 3.13Å
144	Q	97.4	Very high	96.4	Very high	43 Å²	43	52.1 Å²	52.1	20%	0.201	31%	0.308	C	S	.	.			trans	50.2	-120.7	172.4	-63.5	168.2	88.7	0	0	113.7	D142 S159 R161 Y296	D142-Q144 HydrophobicContact CB-CG 4.44Å; D142-Q144 WeakPolarHBondContact O-CG 3.29Å; D142-Q144 PolarHBondContact O-N 3.36Å; D142-Q144 PolarHBondContact O-NE2 3.31Å; D142-Q144 WeakPolarHBondContact OD1-CG 3.23Å; Q144-S159 WeakPolarHBondContact CB-OG 3.28Å; Q144-S159 PolarHBondContact OE1-O 2.9Å; Q144-R161 PolarHBondContact NE2-O 3.09Å; Q144-R161 PolarHBondContact OE1-O 3.44Å; Q144-Y296 HydrophobicContact CB-CE1 4.42Å
145	A	97.4	Very high	96.2	Very high	23 Å²	23	57.4 Å²	57.4	19%	0.19	33%	0.332	C	S	.	.			trans	-88.5	127.5	-169.4	0	0	0	0	0	112.4	S143 L158 S159 S298 H299	S143-A145 PolarHBondContact O-N 2.81Å; A145-L158 HydrophobicContact CB-CB 3.51Å; A145-L158 HydrophobicContact CB-CD1 4.49Å; A145-L158 WeakPolarHBondContact CB-O 3.37Å; A145-S159 PolarHBondContact N-OG 3.47Å; A145-S298 WeakPolarHBondContact O-CA 3.5Å; A145-S298 VanDerWaalsContact O-CB 3.31Å; A145-S298 WeakPolarHBondContact O-CB 3.29Å; A145-H299 PolarHBondContact O-N 3.45Å; A145-H299 VanDerWaalsContact O-N 3.1Å; A145-H299 PolarHBondContact O-ND1 3.19Å
146	R	97.6	Very high	96.1	Very high	154 Å²	154	59.6 Å²	59.6	58%	0.581	34%	0.34	S	S	*	.	B	Isolated β-bridge	trans	-94	131.2	167.9	-169.3	171.1	177.3	170.3	3.5	110.8	H299	R146-H299 CarbonylContact C-O 3.49Å; R146-H299 VanDerWaalsContact CA-O 3.25Å; R146-H299 WeakPolarHBondContact CA-O 3.48Å; R146-H299 WeakPolarHBondContact CB-NE2 3.41Å; R146-H299 WeakPolarHBondContact CG-NE2 3.35Å
147	V	97.3	Very high	96.2	Very high	6 Å²	6	59.8 Å²	59.8	4%	0.036	33%	0.332	C	S	.	.			trans	-113.5	150.5	175.9	-63.2	0	0	0	0	111.6	E151 L158 H299 S300	V147-E151 HydrophobicContact CB-CB 4.29Å; V147-L158 HydrophobicContact CG1-CD1 3.54Å; V147-H299 PolarHBondContact N-O 3.35Å; V147-S300 WeakPolarHBondContact O-CA 3.38Å
148	P	96.5	Very high	96.3	Very high	64 Å²	64	59.5 Å²	59.5	42%	0.416	32%	0.323	S	S	.	.			trans	-70.6	157.6	169.6	30.6	-34.8	0	0	0	111	S150 E151	P148-S150 PolarHBondContact O-N 3.35Å; P148-E151 HydrophobicContact CG-CB 4.17Å; P148-E151 HydrophobicContact CG-CG 3.91Å; P148-E151 WeakPolarHBondContact CG-OE1 3.46Å; P148-E151 PolarHBondContact O-N 2.97Å
149	N	94.4	Very high	96.2	Very high	68 Å²	68	57.8 Å²	57.8	36%	0.364	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-55.9	-29.7	-179.2	-67.8	4	0	0	0	113.4	E151 T152 P389	N149-E151 PolarHBondContact O-N 3.08Å; N149-T152 WeakPolarHBondContact O-CG2 3.22Å; N149-T152 PolarHBondContact O-N 3.24Å; N149-T152 PolarHBondContact O-OG1 3.27Å; N149-P389 PolarHBondContact ND2-O 3.24Å; N149-P389 VanDerWaalsContact ND2-O 3.1Å; N149-P389 PolarHBondContact ND2-OXT 2.81Å
150	S	95.2	Very high	96.1	Very high	99 Å²	99	63 Å²	63	69%	0.692	35%	0.349	S	S	*	.	G	3₁₀ helix	trans	-63.9	-17.5	176	51.2	0	0	0	0	114.5	P148	P148-S150 PolarHBondContact O-N 3.35Å
151	E	95.7	Very high	96.1	Very high	90 Å²	90	66.6 Å²	66.6	42%	0.421	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-111.5	1.8	-174.8	-69.6	178.9	-139.6	0	0	113.5	V147 P148 N149 S153 S154	V147-E151 HydrophobicContact CB-CB 4.29Å; P148-E151 HydrophobicContact CG-CB 4.17Å; P148-E151 HydrophobicContact CG-CG 3.91Å; P148-E151 WeakPolarHBondContact CG-OE1 3.46Å; P148-E151 PolarHBondContact O-N 2.97Å; N149-E151 PolarHBondContact O-N 3.08Å; E151-S153 PolarHBondContact O-N 3.46Å; E151-S153 VanDerWaalsContact O-N 3.1Å; E151-S154 WeakPolarHBondContact O-CB 3.43Å; E151-S154 PolarHBondContact O-N 3.05Å; E151-S154 PolarHBondContact O-OG 3.33Å
152	T	95.4	Very high	96.1	Very high	9 Å²	9	68.4 Å²	68.4	6%	0.055	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.4	-178.9	53.2	0	0	0	0	113.9	N149 F322 Q324 V325	N149-T152 WeakPolarHBondContact O-CG2 3.22Å; N149-T152 PolarHBondContact O-N 3.24Å; N149-T152 PolarHBondContact O-OG1 3.27Å; T152-F322 WeakPolarHBondContact O-CE1 3.37Å; T152-F322 WeakPolarHBondContact O-CZ 3.31Å; T152-Q324 WeakPolarHBondContact O-CG 3.39Å; T152-Q324 PolarHBondContact OG1-NE2 3.12Å; T152-V325 HydrophobicContact CG2-CG2 4.08Å
153	S	94.6	Very high	96.1	Very high	69 Å²	69	66.4 Å²	66.4	48%	0.483	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	1.7	178.4	59.4	0	0	0	0	114.3	E151 Q155	E151-S153 PolarHBondContact O-N 3.46Å; E151-S153 VanDerWaalsContact O-N 3.1Å; S153-Q155 VanDerWaalsContact C-N 3.26Å; S153-Q155 PolarHBondContact O-N 3.34Å
154	S	92.8	Very high	96.2	Very high	45 Å²	45	65.1 Å²	65.1	32%	0.315	35%	0.351	S	S	.	.	S	Bend	trans	-67.2	-23.7	-172.6	63.8	0	0	0	0	114.1	E151 N156	E151-S154 WeakPolarHBondContact O-CB 3.43Å; E151-S154 PolarHBondContact O-N 3.05Å; E151-S154 PolarHBondContact O-OG 3.33Å; S154-N156 PolarHBondContact O-N 3.24Å; S154-N156 VanDerWaalsContact O-N 3.15Å
155	Q	94.8	Very high	96.3	Very high	111 Å²	111	70.6 Å²	70.6	52%	0.519	37%	0.374	S	S	.	.			trans	54.8	24.8	-174.5	-52.7	-172.3	25.4	0	0	113.6	S153 Y297 F322	S153-Q155 VanDerWaalsContact C-N 3.26Å; S153-Q155 PolarHBondContact O-N 3.34Å; Q155-Y297 WeakPolarHBondContact O-CE2 3.17Å; Q155-F322 HydrophobicContact CB-CD2 4.44Å; Q155-F322 HydrophobicContact CB-CE2 4.41Å; Q155-F322 HydrophobicContact CG-CB 4.38Å; Q155-F322 HydrophobicContact CG-CD1 3.56Å; Q155-F322 HydrophobicContact CG-CD2 3.99Å; Q155-F322 HydrophobicContact CG-CE1 3.68Å; Q155-F322 HydrophobicContact CG-CE2 4.12Å; Q155-F322 HydrophobicContact CG-CG 3.71Å; Q155-F322 HydrophobicContact CG-CZ 3.97Å
156	N	93.9	Very high	96.3	Very high	93 Å²	93	74 Å²	74	50%	0.497	39%	0.385	S	S	.	.			trans	-83.9	119.1	171	-66.1	-31.6	0	0	0	108.1	S154 L158	S154-N156 PolarHBondContact O-N 3.24Å; S154-N156 VanDerWaalsContact O-N 3.15Å; N156-L158 HydrophobicContact CB-CD2 4.37Å; N156-L158 HydrophobicContact CB-CG 4.33Å; N156-L158 PolarHBondContact O-N 3.35Å
157	D	95.9	Very high	96.3	Very high	70 Å²	70	67.1 Å²	67.1	37%	0.374	36%	0.36	S	S	.	.			trans	-71.4	116	166.9	176	14.4	0	0	0	108.7	S159 Y297	D157-S159 PolarHBondContact OD1-N 3.15Å; D157-Y297 HydrophobicContact CB-CD1 4.07Å; D157-Y297 HydrophobicContact CB-CD2 4.01Å; D157-Y297 HydrophobicContact CB-CE1 4.12Å; D157-Y297 HydrophobicContact CB-CE2 4.05Å; D157-Y297 HydrophobicContact CB-CG 4.02Å
158	L	97.3	Very high	96.4	Very high	80 Å²	80	69.4 Å²	69.4	42%	0.419	37%	0.372	S	S	.	.			trans	-115.4	5.6	178.7	-60.7	176.3	0	0	0	111.5	A145 V147 N156 Y297	A145-L158 HydrophobicContact CB-CB 3.51Å; A145-L158 HydrophobicContact CB-CD1 4.49Å; A145-L158 WeakPolarHBondContact CB-O 3.37Å; V147-L158 HydrophobicContact CG1-CD1 3.54Å; N156-L158 HydrophobicContact CB-CD2 4.37Å; N156-L158 HydrophobicContact CB-CG 4.33Å; N156-L158 PolarHBondContact O-N 3.35Å; L158-Y297 CarbonylContact C-O 3.51Å; L158-Y297 PolarHBondContact N-O 2.78Å; L158-Y297 VanDerWaalsContact N-O 3.1Å
159	S	97.4	Very high	96.4	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	37%	0.365	C	S	.	.			trans	-134.1	72.8	-170.9	-59.1	0	0	0	0	109.8	Q144 A145 D157 R161 Y296 Y297	Q144-S159 WeakPolarHBondContact CB-OG 3.28Å; Q144-S159 PolarHBondContact OE1-O 2.9Å; A145-S159 PolarHBondContact N-OG 3.47Å; D157-S159 PolarHBondContact OD1-N 3.15Å; S159-R161 PolarHBondContact O-N 3.42Å; S159-Y296 WeakPolarHBondContact CB-O 3.44Å; S159-Y296 VanDerWaalsContact O-O 3.12Å; S159-Y296 WeakPolarHBondContact OG-CE1 3.37Å; S159-Y297 WeakPolarHBondContact CB-O 3.31Å; S159-Y297 PolarHBondContact N-O 3.28Å; S159-Y297 PolarHBondContact OG-O 3.3Å
160	P	95	Very high	96.5	Very high	110 Å²	110	69.8 Å²	69.8	71%	0.714	38%	0.38	S	S	*	.			trans	-69.5	3.2	-171.7	31	-38.4	0	0	0	114.6
161	R	97.6	Very high	96.6	Very high	144 Å²	144	66.8 Å²	66.8	54%	0.543	36%	0.359	S	S	.	.	S	Bend	trans	-116.2	157.1	177.3	-57.2	-171.9	-65.3	-109.6	-1.4	109.7	D142 Q144 S159	D142-R161 IonicContact OD1-NH2 3.16Å; D142-R161 IonicContact OD2-CZ 2.76Å; D142-R161 IonicContact OD2-NE 3.52Å; D142-R161 PolarHBondContact OD2-NE 2.97Å; D142-R161 IonicContact OD2-NH2 3.19Å; D142-R161 PolarHBondContact OD2-NH2 3.47Å; Q144-R161 PolarHBondContact NE2-O 3.09Å; Q144-R161 PolarHBondContact OE1-O 3.44Å; S159-R161 PolarHBondContact O-N 3.42Å
162	P	97.8	Very high	96.7	Very high	77 Å²	77	62.5 Å²	62.5	50%	0.5	34%	0.339	S	S	.	.			trans	-57.9	143	170.8	-24.8	35.2	0	0	0	112.1	F164 E289	P162-F164 VanDerWaalsContact C-N 3.34Å; P162-E289 WeakPolarHBondContact CA-OE1 3.43Å; P162-E289 HydrophobicContact CB-CG 4.09Å
163	L	98.5	Very high	96.8	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	35%	0.346	C	S	.	.	S	Bend	trans	-62.2	-43.2	170.3	175	60.8	0	0	0	110.7	I141 D142 K165 F285 E289 Y296 L312 M314	I141-L163 CarbonylContact C-O 3.11Å; I141-L163 WeakPolarHBondContact CA-O 3.14Å; I141-L163 HydrophobicContact CB-CD1 4.23Å; I141-L163 WeakPolarHBondContact CB-O 3.37Å; D142-L163 PolarHBondContact N-O 2.91Å; L163-K165 PolarHBondContact O-N 3.45Å; L163-F285 HydrophobicContact CB-CE1 4.47Å; L163-F285 HydrophobicContact CD2-CE1 4.28Å; L163-E289 WeakPolarHBondContact CB-OE1 3.3Å; L163-E289 VanDerWaalsContact N-CD 3.32Å; L163-E289 PolarHBondContact N-OE1 2.87Å; L163-E289 PolarHBondContact N-OE2 3.47Å; L163-Y296 HydrophobicContact CB-CD1 3.93Å; L163-Y296 HydrophobicContact CB-CD2 4.22Å; L163-Y296 HydrophobicContact CB-CE1 4.39Å; L163-Y296 HydrophobicContact CB-CG 3.82Å; L163-Y296 HydrophobicContact CD1-CE1 4.21Å; L163-Y296 HydrophobicContact CD1-CE2 4.45Å; L163-Y296 HydrophobicContact CD2-CD2 4.16Å; L163-Y296 HydrophobicContact CD2-CE2 4.2Å; L163-L312 HydrophobicContact CD1-CD1 4.27Å; L163-L312 HydrophobicContact CD2-CD1 4.34Å; L163-M314 HydrophobicContact CD2-SD 3.58Å; L163-M314 VanDerWaalsContact CD2-SD 3.58Å
164	F	98.4	Very high	96.9	Very high	13 Å²	13	65.5 Å²	65.5	6%	0.057	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	98.6	-178.1	-67.4	-86.1	0	0	0	111.4	L139 I141 P162 W282 F285 Y286 E289 I330	L139-F164 HydrophobicContact CD1-CD1 3.63Å; L139-F164 HydrophobicContact CD1-CE1 3.89Å; I141-F164 HydrophobicContact CG2-CD1 3.93Å; I141-F164 HydrophobicContact CG2-CE1 4.03Å; P162-F164 VanDerWaalsContact C-N 3.34Å; F164-W282 AromaticContact CE1-CE3 3.57Å; F164-W282 HydrophobicContact CE1-CE3 3.57Å; F164-W282 HydrophobicContact CE1-CZ3 4.08Å; F164-W282 HydrophobicContact CZ-CB 4.25Å; F164-W282 AromaticContact CZ-CE3 3.92Å; F164-W282 HydrophobicContact CZ-CE3 3.92Å; F164-F285 AromaticContact CD2-CD1 3.99Å; F164-F285 HydrophobicContact CD2-CD1 3.99Å; F164-F285 HydrophobicContact CE2-CB 4.13Å; F164-F285 AromaticContact CE2-CD1 3.53Å; F164-F285 HydrophobicContact CE2-CD1 3.53Å; F164-F285 HydrophobicContact CE2-CE1 4.26Å; F164-F285 HydrophobicContact CE2-CG 4.11Å; F164-Y286 HydrophobicContact CB-CD2 3.47Å; F164-Y286 VanDerWaalsContact CB-CD2 3.47Å; F164-Y286 HydrophobicContact CB-CE2 4.05Å; F164-Y286 HydrophobicContact CD1-CD2 4.01Å; F164-Y286 HydrophobicContact CD1-CG 4.49Å; F164-Y286 HydrophobicContact CD2-CD2 4.26Å; F164-Y286 AromaticContact CG-CD2 3.66Å; F164-Y286 HydrophobicContact CG-CD2 3.66Å; F164-Y286 HydrophobicContact CG-CG 4.33Å; F164-E289 WeakPolarHBondContact CD2-OE2 3.43Å; F164-E289 PolarHBondContact N-OE2 3.31Å; F164-I330 HydrophobicContact CE1-CG2 4.46Å
165	K	97.8	Very high	97.1	Very high	158 Å²	158	65 Å²	65	69%	0.687	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	-37.6	179.7	-176.8	177	177.8	-179.9	0	112.8	I140 L163	I140-K165 HydrophobicContact CG2-CB 4.29Å; I140-K165 HydrophobicContact CG2-CD 4.2Å; I140-K165 WeakPolarHBondContact O-CB 3.34Å; I140-K165 PolarHBondContact O-N 3.46Å; L163-K165 PolarHBondContact O-N 3.45Å
166	F	98.1	Very high	97.3	Very high	95 Å²	95	63.1 Å²	63.1	42%	0.417	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	140.6	180	176.2	-102.5	0	0	0	111.3	S137 I140 D168	S137-F166 WeakPolarHBondContact O-CE1 3.42Å; I140-F166 HydrophobicContact CB-CB 4.08Å; I140-F166 HydrophobicContact CD1-CB 4.15Å; I140-F166 HydrophobicContact CD1-CD1 4.15Å; I140-F166 HydrophobicContact CD1-CG 4.49Å; I140-F166 HydrophobicContact CG1-CB 4.26Å; I140-F166 HydrophobicContact CG1-CD1 4.27Å; I140-F166 PolarHBondContact N-O 2.7Å; I140-F166 PolarHBondContact O-N 2.9Å; F166-D168 HydrophobicContact CE1-CB 4.1Å; F166-D168 HydrophobicContact CZ-CB 4.08Å
167	L	98.3	Very high	97.5	Very high	8 Å²	8	58.8 Å²	58.8	4%	0.042	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	131.2	166.4	-169.5	71.3	0	0	0	108.4	E138 L139 E169 L172 F173 W282 L283 Y286	E138-L167 CarbonylContact O-C 3.59Å; E138-L167 VanDerWaalsContact O-CA 3.3Å; E138-L167 WeakPolarHBondContact O-CA 3.49Å; L139-L167 HydrophobicContact CB-CD1 3.97Å; L139-L167 HydrophobicContact CD1-CD1 3.72Å; L139-L167 HydrophobicContact CG-CD1 4.33Å; L167-E169 HydrophobicContact CD2-CG 4.35Å; L167-E169 PolarHBondContact O-N 2.86Å; L167-L172 HydrophobicContact CD1-CD1 3.37Å; L167-L172 HydrophobicContact CD2-CD1 4.21Å; L167-L172 HydrophobicContact CG-CD1 3.77Å; L167-F173 HydrophobicContact CD2-CE1 4.11Å; L167-F173 HydrophobicContact CD2-CZ 3.93Å; L167-W282 HydrophobicContact CD1-CH2 3.91Å; L167-W282 HydrophobicContact CD1-CZ3 3.95Å; L167-W282 HydrophobicContact CD2-CH2 4.43Å; L167-W282 HydrophobicContact CD2-CZ3 4.3Å; L167-L283 HydrophobicContact CD2-CD1 4.37Å; L167-Y286 HydrophobicContact CB-CD2 4.4Å; L167-Y286 HydrophobicContact CB-CE1 4.15Å; L167-Y286 HydrophobicContact CB-CE2 3.72Å; L167-Y286 HydrophobicContact CD2-CD1 3.55Å; L167-Y286 HydrophobicContact CD2-CD2 4.42Å; L167-Y286 HydrophobicContact CD2-CE1 3.35Å; L167-Y286 HydrophobicContact CD2-CE2 4.25Å; L167-Y286 HydrophobicContact CD2-CG 4.09Å; L167-Y286 HydrophobicContact CG-CE1 4.37Å
168	D	98.3	Very high	97.6	Very high	55 Å²	55	55.5 Å²	55.5	29%	0.294	30%	0.302	S	S	.	.			trans	-75.3	78.4	168.9	-169.5	-15.2	0	0	0	109.8	E138 F166 A170 S171 L172	E138-D168 HydrophobicContact CB-CB 4.11Å; E138-D168 HydrophobicContact CG-CB 4.06Å; E138-D168 PolarHBondContact O-N 3.39Å; F166-D168 HydrophobicContact CE1-CB 4.1Å; F166-D168 HydrophobicContact CZ-CB 4.08Å; D168-A170 PolarHBondContact O-N 3.24Å; D168-A170 PolarHBondContact OD1-N 3.09Å; D168-S171 VanDerWaalsContact CG-CB 3.43Å; D168-S171 PolarHBondContact O-N 3.12Å; D168-S171 PolarHBondContact OD1-N 2.86Å; D168-S171 WeakPolarHBondContact OD2-CB 3.24Å; D168-L172 WeakPolarHBondContact O-CG 3.13Å; D168-L172 PolarHBondContact O-N 3Å
169	E	97.6	Very high	97.6	Very high	60 Å²	60	53.9 Å²	53.9	28%	0.28	30%	0.301	S	S	.	.	H	α-helix	trans	-59.6	-35.3	179.8	-66.8	-171.4	149.7	0	0	112.2	L167 F173 Y286 K290	L167-E169 HydrophobicContact CD2-CG 4.35Å; L167-E169 PolarHBondContact O-N 2.86Å; E169-F173 HydrophobicContact CB-CD2 3.78Å; E169-F173 HydrophobicContact CB-CE2 3.81Å; E169-F173 HydrophobicContact CB-CG 4.47Å; E169-F173 HydrophobicContact CB-CZ 4.49Å; E169-F173 HydrophobicContact CG-CD2 4.1Å; E169-F173 HydrophobicContact CG-CE2 3.57Å; E169-F173 HydrophobicContact CG-CZ 4.05Å; E169-F173 VanDerWaalsContact O-CB 3.23Å; E169-F173 WeakPolarHBondContact O-CB 3.24Å; E169-F173 WeakPolarHBondContact O-CG 3.4Å; E169-F173 PolarHBondContact O-N 3.44Å; E169-Y286 HydrophobicContact CG-CE1 4.14Å; E169-Y286 WeakPolarHBondContact CG-OH 3.48Å; E169-Y286 VanDerWaalsContact OE1-CE1 3.27Å; E169-Y286 WeakPolarHBondContact OE1-CE1 3.49Å; E169-Y286 PolarHBondContact OE1-OH 3.29Å; E169-K290 IonicContact OE1-NZ 2.7Å; E169-K290 PolarHBondContact OE1-NZ 2.87Å; E169-K290 IonicContact OE2-NZ 2.89Å; E169-K290 PolarHBondContact OE2-NZ 3.35Å
170	A	97	Very high	97.7	Very high	80 Å²	80	54.3 Å²	54.3	66%	0.661	31%	0.305	S	S	*	.	H	α-helix	trans	-66.2	-45.4	-177.8	0	0	0	0	0	110.9	D168 S174	D168-A170 PolarHBondContact O-N 3.24Å; D168-A170 PolarHBondContact OD1-N 3.09Å; A170-S174 WeakPolarHBondContact O-CB 3.23Å; A170-S174 PolarHBondContact O-OG 3.35Å
171	S	96.9	Very high	97.8	Very high	36 Å²	36	49.1 Å²	49.1	25%	0.252	27%	0.271	S	S	.	.	H	α-helix	trans	-63.1	-55.7	173.5	178.5	0	0	0	0	110.7	E138 D168 S174	E138-S171 PolarHBondContact OE1-OG 2.8Å; D168-S171 VanDerWaalsContact CG-CB 3.43Å; D168-S171 PolarHBondContact O-N 3.12Å; D168-S171 PolarHBondContact OD1-N 2.86Å; D168-S171 WeakPolarHBondContact OD2-CB 3.24Å; S171-S174 PolarHBondContact O-OG 2.89Å
172	L	96.9	Very high	97.7	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-72.4	-46.4	-169.3	-64.8	177.2	0	0	0	113.4	P134 L167 D168 S174 K175 Y178	P134-L172 HydrophobicContact CB-CD1 3.99Å; P134-L172 HydrophobicContact CB-CD2 4.21Å; P134-L172 HydrophobicContact CG-CD1 4.49Å; L167-L172 HydrophobicContact CD1-CD1 3.37Å; L167-L172 HydrophobicContact CD2-CD1 4.21Å; L167-L172 HydrophobicContact CG-CD1 3.77Å; D168-L172 WeakPolarHBondContact O-CG 3.13Å; D168-L172 PolarHBondContact O-N 3Å; L172-S174 PolarHBondContact O-N 2.78Å; L172-K175 HydrophobicContact CD2-CD 4.33Å; L172-K175 VanDerWaalsContact O-CB 3.25Å; L172-K175 WeakPolarHBondContact O-CB 3.27Å; L172-K175 WeakPolarHBondContact O-CG 3.45Å; L172-K175 PolarHBondContact O-N 2.77Å; L172-Y178 HydrophobicContact CB-CD1 4.23Å; L172-Y178 HydrophobicContact CB-CE1 4.27Å; L172-Y178 WeakPolarHBondContact O-CB 3.32Å
173	F	96.9	Very high	97.5	Very high	50 Å²	50	41.6 Å²	41.6	22%	0.219	24%	0.243	C	C	.	.	H	α-helix	trans	-76.8	-8.1	-175.5	-58.2	-15.4	0	0	0	113.2	L167 E169 K175 Y178 V182 L283 Y286	L167-F173 HydrophobicContact CD2-CE1 4.11Å; L167-F173 HydrophobicContact CD2-CZ 3.93Å; E169-F173 HydrophobicContact CB-CD2 3.78Å; E169-F173 HydrophobicContact CB-CE2 3.81Å; E169-F173 HydrophobicContact CB-CG 4.47Å; E169-F173 HydrophobicContact CB-CZ 4.49Å; E169-F173 HydrophobicContact CG-CD2 4.1Å; E169-F173 HydrophobicContact CG-CE2 3.57Å; E169-F173 HydrophobicContact CG-CZ 4.05Å; E169-F173 VanDerWaalsContact O-CB 3.23Å; E169-F173 WeakPolarHBondContact O-CB 3.24Å; E169-F173 WeakPolarHBondContact O-CG 3.4Å; E169-F173 PolarHBondContact O-N 3.44Å; F173-K175 VanDerWaalsContact C-N 3.31Å; F173-Y178 HydrophobicContact CD1-CD1 4.15Å; F173-Y178 HydrophobicContact CE1-CD1 4.29Å; F173-V182 HydrophobicContact CD1-CG2 4.5Å; F173-L283 HydrophobicContact CE1-CD1 3.55Å; F173-L283 HydrophobicContact CE1-CD2 4.43Å; F173-L283 HydrophobicContact CZ-CD1 3.81Å; F173-Y286 HydrophobicContact CZ-CD1 4.37Å; F173-Y286 HydrophobicContact CZ-CE1 4.06Å
174	S	96.8	Very high	97.4	Very high	91 Å²	91	41.6 Å²	41.6	64%	0.636	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-17.8	166.5	76.3	0	0	0	0	113	A170 S171 L172	A170-S174 WeakPolarHBondContact O-CB 3.23Å; A170-S174 PolarHBondContact O-OG 3.35Å; S171-S174 PolarHBondContact O-OG 2.89Å; L172-S174 PolarHBondContact O-N 2.78Å
175	K	98.3	Very high	97	Very high	34 Å²	34	41.6 Å²	41.6	15%	0.148	24%	0.243	C	C	.	.	S	Bend	trans	-70.9	133.8	177.4	-58.5	177.7	-175.2	-176.5	0	109.3	N132 L172 F173 S177 Y178 A179	N132-K175 HydrophobicContact CB-CD 4.09Å; N132-K175 PolarHBondContact O-NZ 3.29Å; L172-K175 HydrophobicContact CD2-CD 4.33Å; L172-K175 VanDerWaalsContact O-CB 3.25Å; L172-K175 WeakPolarHBondContact O-CB 3.27Å; L172-K175 WeakPolarHBondContact O-CG 3.45Å; L172-K175 PolarHBondContact O-N 2.77Å; F173-K175 VanDerWaalsContact C-N 3.31Å; K175-S177 PolarHBondContact O-N 3.45Å; K175-Y178 HydrophobicContact CB-CD2 4.01Å; K175-Y178 HydrophobicContact CD-CD2 4.15Å; K175-Y178 HydrophobicContact CD-CE2 4.26Å; K175-Y178 PolarHBondContact O-N 2.84Å; K175-A179 PolarHBondContact O-N 3.49Å
176	P	98.4	Very high	96.3	Very high	72 Å²	72	39.5 Å²	39.5	47%	0.468	24%	0.24	S	C	.	.	H	α-helix	trans	-55.9	-42.1	-173.5	-29.6	35.8	0	0	0	115.2	A179 A180 E212	P176-A179 PolarHBondContact O-N 2.86Å; P176-A180 VanDerWaalsContact O-CB 3.31Å; P176-A180 WeakPolarHBondContact O-CB 3.09Å; P176-A180 PolarHBondContact O-N 2.8Å; P176-E212 HydrophobicContact CB-CB 4.36Å; P176-E212 HydrophobicContact CB-CG 4Å; P176-E212 WeakPolarHBondContact CB-OE2 3.42Å
177	S	98.1	Very high	95.7	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.014	23%	0.226	C	C	.	.	H	α-helix	trans	-68	-37.2	-179.8	61.3	0	0	0	0	113	K175 F181 E335	K175-S177 PolarHBondContact O-N 3.45Å; S177-F181 VanDerWaalsContact O-CB 3.24Å; S177-F181 WeakPolarHBondContact O-CB 3.37Å; S177-F181 PolarHBondContact O-N 3.38Å; S177-E335 WeakPolarHBondContact CB-OE2 3.5Å; S177-E335 VanDerWaalsContact OG-CD 3.27Å; S177-E335 PolarHBondContact OG-OE1 2.79Å; S177-E335 PolarHBondContact OG-OE2 2.8Å
178	Y	98.4	Very high	94.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-66.9	-47.1	173.1	-81.8	-99.9	0	0	0	111.7	N132 P134 L172 F173 K175 A180 F181 V182 W282 L283 C332 S333 P334	N132-Y178 HydrophobicContact CB-CE2 4.15Å; N132-Y178 WeakPolarHBondContact O-CE2 3.11Å; N132-Y178 PolarHBondContact O-OH 2.92Å; P134-Y178 WeakPolarHBondContact CD-OH 3.22Å; L172-Y178 HydrophobicContact CB-CD1 4.23Å; L172-Y178 HydrophobicContact CB-CE1 4.27Å; L172-Y178 WeakPolarHBondContact O-CB 3.32Å; F173-Y178 HydrophobicContact CD1-CD1 4.15Å; F173-Y178 HydrophobicContact CE1-CD1 4.29Å; K175-Y178 HydrophobicContact CB-CD2 4.01Å; K175-Y178 HydrophobicContact CD-CD2 4.15Å; K175-Y178 HydrophobicContact CD-CE2 4.26Å; K175-Y178 PolarHBondContact O-N 2.84Å; Y178-A180 PolarHBondContact O-N 3Å; Y178-F181 PolarHBondContact O-N 2.86Å; Y178-V182 WeakPolarHBondContact O-CB 3.32Å; Y178-V182 VanDerWaalsContact O-CG2 3.31Å; Y178-V182 WeakPolarHBondContact O-CG2 3.22Å; Y178-V182 PolarHBondContact O-N 3.47Å; Y178-W282 HydrophobicContact CE1-CZ2 4.21Å; Y178-L283 HydrophobicContact CD1-CD2 3.69Å; Y178-L283 HydrophobicContact CE1-CD2 4.01Å; Y178-C332 PolarHBondContact OH-O 3.39Å; Y178-S333 WeakPolarHBondContact OH-CA 3.33Å; Y178-P334 HydrophobicContact CD1-CG 4.16Å; Y178-P334 HydrophobicContact CD2-CG 4.22Å; Y178-P334 HydrophobicContact CE1-CG 4.34Å; Y178-P334 VanDerWaalsContact CE2-CD 3.46Å; Y178-P334 HydrophobicContact CE2-CG 4.41Å; Y178-P334 HydrophobicContact CG-CG 4.1Å
179	A	97.8	Very high	93.7	Very high	46 Å²	46	38.9 Å²	38.9	38%	0.38	24%	0.236	S	C	.	.	H	α-helix	trans	-59.2	-47.4	178.2	0	0	0	0	0	111.3	K175 P176 V182 A183	K175-A179 PolarHBondContact O-N 3.49Å; P176-A179 PolarHBondContact O-N 2.86Å; A179-V182 PolarHBondContact O-N 3.12Å; A179-A183 WeakPolarHBondContact O-CB 3.2Å; A179-A183 PolarHBondContact O-N 3.16Å; A179-A183 VanDerWaalsContact O-N 3.07Å
180	A	98.1	Very high	92.6	Very high	10 Å²	10	41 Å²	41	8%	0.083	24%	0.241	C	C	.	.	H	α-helix	trans	-65	-39.5	178.6	0	0	0	0	0	112.2	P176 Y178 A183 L184 T208 F209 E212	P176-A180 VanDerWaalsContact O-CB 3.31Å; P176-A180 WeakPolarHBondContact O-CB 3.09Å; P176-A180 PolarHBondContact O-N 2.8Å; Y178-A180 PolarHBondContact O-N 3Å; A180-A183 PolarHBondContact O-N 2.04Å; A180-L184 PolarHBondContact O-N 2.97Å; A180-T208 HydrophobicContact CB-CG2 4.2Å; A180-F209 HydrophobicContact CB-CB 4.04Å; A180-F209 HydrophobicContact CB-CD2 4.26Å; A180-E212 HydrophobicContact CB-CB 4.44Å; A180-E212 HydrophobicContact CB-CG 4.33Å
181	F	97.8	Very high	91.4	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-64.5	-44	175	-179.6	-99.8	0	0	0	112.3	S177 Y178 A183 L184 L185 F209 F263 F267 N281 L283 P334	S177-F181 VanDerWaalsContact O-CB 3.24Å; S177-F181 WeakPolarHBondContact O-CB 3.37Å; S177-F181 PolarHBondContact O-N 3.38Å; Y178-F181 PolarHBondContact O-N 2.86Å; F181-A183 VanDerWaalsContact C-N 3.28Å; F181-A183 PolarHBondContact O-N 3.24Å; F181-L184 WeakPolarHBondContact O-CB 3.12Å; F181-L184 PolarHBondContact O-N 3.17Å; F181-L185 HydrophobicContact CD1-CD1 3.87Å; F181-L185 HydrophobicContact CD1-CG 4.42Å; F181-L185 HydrophobicContact CE1-CD1 3.49Å; F181-L185 VanDerWaalsContact CE1-CD1 3.49Å; F181-L185 HydrophobicContact CE1-CD2 4.28Å; F181-L185 HydrophobicContact CE1-CG 4.09Å; F181-L185 HydrophobicContact CZ-CD1 4.17Å; F181-L185 HydrophobicContact CZ-CD2 4.12Å; F181-L185 HydrophobicContact CZ-CG 4.36Å; F181-L185 PolarHBondContact O-N 3.44Å; F181-F209 HydrophobicContact CB-CD2 3.91Å; F181-F209 HydrophobicContact CB-CE2 3.7Å; F181-F209 HydrophobicContact CB-CZ 4.49Å; F181-F209 HydrophobicContact CD2-CD2 4.48Å; F181-F209 HydrophobicContact CD2-CE1 4.39Å; F181-F209 AromaticContact CD2-CE2 3.8Å; F181-F209 HydrophobicContact CD2-CE2 3.8Å; F181-F209 AromaticContact CD2-CZ 3.73Å; F181-F209 HydrophobicContact CD2-CZ 3.73Å; F181-F209 HydrophobicContact CG-CE2 4.22Å; F181-F263 AromaticContact CD2-CE2 3.89Å; F181-F263 HydrophobicContact CD2-CE2 3.89Å; F181-F263 AromaticContact CD2-CZ 3.96Å; F181-F263 HydrophobicContact CD2-CZ 3.96Å; F181-F263 AromaticContact CE2-CE2 3.62Å; F181-F263 HydrophobicContact CE2-CE2 3.62Å; F181-F263 AromaticContact CE2-CZ 3.68Å; F181-F263 HydrophobicContact CE2-CZ 3.68Å; F181-F263 HydrophobicContact CZ-CZ 4.47Å; F181-F267 HydrophobicContact CE2-CB 3.94Å; F181-F267 AromaticContact CE2-CD1 3.56Å; F181-F267 HydrophobicContact CE2-CD1 3.56Å; F181-F267 HydrophobicContact CE2-CE1 4.22Å; F181-F267 AromaticContact CE2-CG 3.86Å; F181-F267 HydrophobicContact CE2-CG 3.86Å; F181-F267 HydrophobicContact CZ-CB 3.97Å; F181-F267 AromaticContact CZ-CD1 3.71Å; F181-F267 HydrophobicContact CZ-CD1 3.71Å; F181-F267 HydrophobicContact CZ-CG 4.18Å; F181-N281 WeakPolarHBondContact CE1-OD1 3.39Å; F181-N281 WeakPolarHBondContact CZ-OD1 3.42Å; F181-L283 HydrophobicContact CD1-CD2 3.63Å; F181-L283 HydrophobicContact CD1-CG 4.42Å; F181-L283 HydrophobicContact CE1-CB 4.21Å; F181-L283 HydrophobicContact CE1-CD2 3.89Å; F181-L283 HydrophobicContact CE1-CG 4.24Å; F181-P334 HydrophobicContact CB-CB 3.83Å; F181-P334 HydrophobicContact CB-CG 3.89Å; F181-P334 HydrophobicContact CD1-CB 4.45Å; F181-P334 HydrophobicContact CD1-CG 4.24Å; F181-P334 HydrophobicContact CD2-CB 3.99Å; F181-P334 HydrophobicContact CG-CB 3.84Å; F181-P334 HydrophobicContact CG-CG 4.01Å
182	V	95.1	Very high	89.9	Confident	31 Å²	31	39.4 Å²	39.4	19%	0.188	22%	0.22	C	C	.	.	H	α-helix	trans	-62.5	-37.7	178.8	168.2	0	0	0	0	111.7	F173 Y178 A179 L184 L185 L283	F173-V182 HydrophobicContact CD1-CG2 4.5Å; Y178-V182 WeakPolarHBondContact O-CB 3.32Å; Y178-V182 VanDerWaalsContact O-CG2 3.31Å; Y178-V182 WeakPolarHBondContact O-CG2 3.22Å; Y178-V182 PolarHBondContact O-N 3.47Å; A179-V182 PolarHBondContact O-N 3.12Å; V182-L184 PolarHBondContact O-N 3.05Å; V182-L185 PolarHBondContact O-N 3.17Å; V182-L283 HydrophobicContact CG2-CD2 4.3Å
183	A	94.6	Very high	88.2	Confident	33 Å²	33	40 Å²	40	27%	0.273	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-9.9	174.9	0	0	0	0	0	114.2	A179 A180 F181 N187	A179-A183 WeakPolarHBondContact O-CB 3.2Å; A179-A183 PolarHBondContact O-N 3.16Å; A179-A183 VanDerWaalsContact O-N 3.07Å; A180-A183 PolarHBondContact O-N 2.04Å; F181-A183 VanDerWaalsContact C-N 3.28Å; F181-A183 PolarHBondContact O-N 3.24Å; A183-N187 PolarHBondContact O-ND2 3.17Å
184	L	95.1	Very high	86.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-34.8	170	-73.2	175.5	0	0	0	112	A180 F181 V182 D186 N187 Y188 E205 Q206 F209 F248 F263	A180-L184 PolarHBondContact O-N 2.97Å; F181-L184 WeakPolarHBondContact O-CB 3.12Å; F181-L184 PolarHBondContact O-N 3.17Å; V182-L184 PolarHBondContact O-N 3.05Å; L184-D186 VanDerWaalsContact C-N 3.25Å; L184-D186 PolarHBondContact O-N 3.42Å; L184-N187 VanDerWaalsContact O-CB 3.32Å; L184-N187 WeakPolarHBondContact O-CB 3.42Å; L184-N187 PolarHBondContact O-N 3.13Å; L184-N187 VanDerWaalsContact O-N 3.09Å; L184-Y188 HydrophobicContact CB-CE2 4.37Å; L184-Y188 WeakPolarHBondContact O-CD2 3.42Å; L184-Y188 WeakPolarHBondContact O-CE2 3.29Å; L184-E205 HydrophobicContact CD2-CB 3.94Å; L184-Q206 HydrophobicContact CD2-CB 4.42Å; L184-Q206 HydrophobicContact CD2-CG 3.83Å; L184-F209 HydrophobicContact CD1-CB 3.5Å; L184-F209 HydrophobicContact CD1-CD1 3.43Å; L184-F209 VanDerWaalsContact CD1-CD1 3.43Å; L184-F209 HydrophobicContact CD1-CD2 4.38Å; L184-F209 HydrophobicContact CD1-CE1 4.22Å; L184-F209 HydrophobicContact CD1-CG 3.5Å; L184-F209 HydrophobicContact CG-CB 4.25Å; L184-F248 HydrophobicContact CD1-CE1 3.91Å; L184-F248 HydrophobicContact CD1-CZ 3.81Å; L184-F248 HydrophobicContact CD2-CE1 4.48Å; L184-F263 HydrophobicContact CB-CE1 3.75Å; L184-F263 HydrophobicContact CB-CE2 4.49Å; L184-F263 HydrophobicContact CB-CZ 3.57Å; L184-F263 HydrophobicContact CD1-CD2 4.44Å; L184-F263 HydrophobicContact CD1-CE1 4.29Å; L184-F263 HydrophobicContact CD1-CE2 3.71Å; L184-F263 HydrophobicContact CD1-CZ 3.63Å; L184-F263 HydrophobicContact CG-CZ 4.27Å
185	L	91.5	Very high	85.5	Confident	12 Å²	12	41 Å²	41	6%	0.063	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-18.9	-167.5	-71.5	171.3	0	0	0	114.1	F181 V182 F263 A268 Q284	F181-L185 HydrophobicContact CD1-CD1 3.87Å; F181-L185 HydrophobicContact CD1-CG 4.42Å; F181-L185 HydrophobicContact CE1-CD1 3.49Å; F181-L185 VanDerWaalsContact CE1-CD1 3.49Å; F181-L185 HydrophobicContact CE1-CD2 4.28Å; F181-L185 HydrophobicContact CE1-CG 4.09Å; F181-L185 HydrophobicContact CZ-CD1 4.17Å; F181-L185 HydrophobicContact CZ-CD2 4.12Å; F181-L185 HydrophobicContact CZ-CG 4.36Å; F181-L185 PolarHBondContact O-N 3.44Å; V182-L185 PolarHBondContact O-N 3.17Å; L185-F263 HydrophobicContact CD2-CE1 4.33Å; L185-F263 HydrophobicContact CD2-CZ 4.37Å; L185-A268 HydrophobicContact CD2-CB 4.13Å; L185-Q284 HydrophobicContact CD1-CB 4.3Å; L185-Q284 HydrophobicContact CD2-CB 4.27Å; L185-Q284 HydrophobicContact CD2-CG 4.3Å
186	D	83	Confident	84.4	Confident	115 Å²	115	40.5 Å²	40.5	62%	0.615	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-3.8	174.5	58.2	-18	0	0	0	113.8	L184	L184-D186 VanDerWaalsContact C-N 3.25Å; L184-D186 PolarHBondContact O-N 3.42Å
187	N	84.6	Confident	83.5	Confident	26 Å²	26	44 Å²	44	14%	0.139	25%	0.246	C	C	.	.	S	Bend	trans	-86.9	-15.6	-178.1	-68.1	-30.1	0	0	0	115.4	A183 L184 Q202 E205	A183-N187 PolarHBondContact O-ND2 3.17Å; L184-N187 VanDerWaalsContact O-CB 3.32Å; L184-N187 WeakPolarHBondContact O-CB 3.42Å; L184-N187 PolarHBondContact O-N 3.13Å; L184-N187 VanDerWaalsContact O-N 3.09Å; N187-Q202 HydrophobicContact CB-CG 4.24Å; N187-Q202 VanDerWaalsContact CG-NE2 3.35Å; N187-Q202 VanDerWaalsContact OD1-CG 3.31Å; N187-Q202 WeakPolarHBondContact OD1-CG 3.43Å; N187-Q202 PolarHBondContact OD1-NE2 2.67Å; N187-E205 PolarHBondContact ND2-OE2 2.96Å
188	Y	81	Confident	82.9	Confident	27 Å²	27	45.1 Å²	45.1	11%	0.106	25%	0.25	C	S	.	.			trans	-105.9	141.6	-167.5	-63.3	-86.3	0	0	0	112.2	L184 F198 F248 F263 E264 A268	L184-Y188 HydrophobicContact CB-CE2 4.37Å; L184-Y188 WeakPolarHBondContact O-CD2 3.42Å; L184-Y188 WeakPolarHBondContact O-CE2 3.29Å; Y188-F198 HydrophobicContact CD1-CE1 4.18Å; Y188-F198 HydrophobicContact CD1-CZ 4.01Å; Y188-F198 AromaticContact CE1-CE1 3.81Å; Y188-F198 HydrophobicContact CE1-CE1 3.81Å; Y188-F198 AromaticContact CE1-CZ 3.48Å; Y188-F198 HydrophobicContact CE1-CZ 3.48Å; Y188-F198 VanDerWaalsContact CE1-CZ 3.48Å; Y188-F248 WeakPolarHBondContact OH-CD1 3.47Å; Y188-F263 HydrophobicContact CD2-CD1 4.14Å; Y188-F263 HydrophobicContact CD2-CE1 4.07Å; Y188-F263 HydrophobicContact CE1-CD1 4.35Å; Y188-F263 AromaticContact CE2-CD1 3.43Å; Y188-F263 HydrophobicContact CE2-CD1 3.43Å; Y188-F263 VanDerWaalsContact CE2-CD1 3.43Å; Y188-F263 AromaticContact CE2-CE1 3.49Å; Y188-F263 HydrophobicContact CE2-CE1 3.49Å; Y188-F263 VanDerWaalsContact CE2-CE1 3.49Å; Y188-F263 AromaticContact CZ-CD1 3.58Å; Y188-E264 HydrophobicContact CD1-CB 3.7Å; Y188-E264 HydrophobicContact CD1-CG 3.93Å; Y188-E264 HydrophobicContact CE1-CB 4.13Å; Y188-E264 HydrophobicContact CG-CB 4.26Å; Y188-E264 HydrophobicContact CG-CG 4.24Å; Y188-A268 HydrophobicContact CD2-CB 4.31Å; Y188-A268 HydrophobicContact CG-CB 4.36Å
189	E	73	Confident	82.5	Confident	92 Å²	92	48.4 Å²	48.4	43%	0.43	27%	0.27	S	S	.	.			trans	-90	118.3	173.9	179.4	58.8	-129	0	0	109.7	N191	E189-N191 PolarHBondContact O-N 3.33Å
190	R	76.4	Confident	82.3	Confident	103 Å²	103	51.7 Å²	51.7	39%	0.389	29%	0.288	S	S	.	.	S	Bend	trans	-62.9	-19.9	-173.4	67.2	-179	-175.7	-101.8	10.6	115.4	I271 W318 D319	R190-I271 PolarHBondContact O-N 2.96Å; R190-W318 HydrophobicContact CB-CH2 3.9Å; R190-W318 HydrophobicContact CB-CZ2 3.96Å; R190-D319 IonicContact CZ-OD2 2.8Å; R190-D319 IonicContact NE-OD2 2.75Å; R190-D319 PolarHBondContact NE-OD2 3.06Å; R190-D319 VanDerWaalsContact NH2-CG 3.33Å; R190-D319 IonicContact NH2-OD1 2.78Å; R190-D319 PolarHBondContact NH2-OD1 3Å; R190-D319 IonicContact NH2-OD2 3.15Å; R190-D319 PolarHBondContact NH2-OD2 3.01Å
191	N	71.8	Confident	82.1	Confident	59 Å²	59	57.6 Å²	57.6	32%	0.316	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-99.7	119	-177.1	-69	-65	0	0	0	111.3	E189	E189-N191 PolarHBondContact O-N 3.33Å
192	T	64.5	Low	81.9	Confident	24 Å²	24	59.1 Å²	59.1	15%	0.147	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	155.5	171.8	54.2	0	0	0	0	112.7	E270 I271 K272	T192-E270 HydrophobicContact CG2-CG 3.33Å; T192-E270 VanDerWaalsContact CG2-OE1 3.25Å; T192-E270 WeakPolarHBondContact CG2-OE1 3.44Å; T192-I271 PolarHBondContact N-O 3.09Å; T192-I271 PolarHBondContact OG1-O 3.37Å; T192-K272 HydrophobicContact CG2-CB 4.44Å
193	G	60.8	Low	81.8	Confident	12 Å²	12	60.9 Å²	60.9	12%	0.124	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	95.9	6.1	176.9	0	0	0	0	0	115.3	K257 D259	G193-K257 WeakPolarHBondContact O-CD 3.36Å; G193-K257 WeakPolarHBondContact O-CE 3.49Å; G193-K257 PolarHBondContact O-NZ 3.05Å; G193-D259 WeakPolarHBondContact CA-OD2 3.09Å; G193-D259 PolarHBondContact N-OD2 3.23Å
194	T	63.8	Low	81.9	Confident	83 Å²	83	61.6 Å²	61.6	51%	0.509	33%	0.334	S	S	.	.	S	Bend	trans	-108.2	133.4	165	-57.7	0	0	0	0	108.3	E196 D259	T194-E196 PolarHBondContact O-N 3.04Å; T194-D259 WeakPolarHBondContact O-CA 3.34Å; T194-D259 WeakPolarHBondContact O-CB 3.24Å
195	T	72.9	Confident	82	Confident	81 Å²	81	63.1 Å²	63.1	50%	0.497	34%	0.342	S	S	.	.			trans	-68.6	125.3	177	-61.7	0	0	0	0	108.8
196	E	76.9	Confident	82.3	Confident	22 Å²	22	62.8 Å²	62.8	10%	0.103	34%	0.34	C	S	.	.			trans	-80.8	132.9	173.3	-61.7	-164.8	132.7	0	0	109.4	T194 F198 L250 M258	T194-E196 PolarHBondContact O-N 3.04Å; E196-F198 HydrophobicContact CB-CE2 4.49Å; E196-F198 HydrophobicContact CB-CZ 4.31Å; E196-F198 WeakPolarHBondContact OE2-CZ 3.42Å; E196-L250 HydrophobicContact CB-CD1 4.15Å; E196-L250 HydrophobicContact CB-CD2 4.13Å; E196-L250 WeakPolarHBondContact OE2-CD2 3.05Å; E196-M258 PolarHBondContact N-O 2.67Å
197	D	78.9	Confident	83.1	Confident	147 Å²	147	61 Å²	61	79%	0.786	33%	0.33	S	S	*	.			trans	-130.3	113.2	170.4	-171.1	19.1	0	0	0	107.8
198	F	86	Confident	83.7	Confident	25 Å²	25	63 Å²	63	11%	0.11	34%	0.343	C	S	.	.			trans	-87.7	129.9	-175.7	-67	-64.3	0	0	0	110.7	Y188 E196 Q202 L203 L250	Y188-F198 HydrophobicContact CD1-CE1 4.18Å; Y188-F198 HydrophobicContact CD1-CZ 4.01Å; Y188-F198 AromaticContact CE1-CE1 3.81Å; Y188-F198 HydrophobicContact CE1-CE1 3.81Å; Y188-F198 AromaticContact CE1-CZ 3.48Å; Y188-F198 HydrophobicContact CE1-CZ 3.48Å; Y188-F198 VanDerWaalsContact CE1-CZ 3.48Å; E196-F198 HydrophobicContact CB-CE2 4.49Å; E196-F198 HydrophobicContact CB-CZ 4.31Å; E196-F198 WeakPolarHBondContact OE2-CZ 3.42Å; F198-Q202 HydrophobicContact CB-CB 4.11Å; F198-Q202 HydrophobicContact CD1-CB 4.02Å; F198-Q202 HydrophobicContact CG-CB 4.48Å; F198-L203 HydrophobicContact CB-CD2 3.82Å; F198-L203 HydrophobicContact CB-CG 3.9Å; F198-L203 HydrophobicContact CD2-CD2 4.37Å; F198-L203 HydrophobicContact CG-CD2 4.4Å; F198-L250 HydrophobicContact CD2-CD1 4.4Å; F198-L250 HydrophobicContact CE2-CD1 4.05Å; F198-L250 HydrophobicContact CE2-CD2 3.75Å; F198-L250 HydrophobicContact CE2-CG 4.02Å; F198-L250 HydrophobicContact CZ-CD2 4.26Å
199	T	89.7	Confident	84.6	Confident	69 Å²	69	61.7 Å²	61.7	42%	0.423	34%	0.338	S	S	.	.			trans	-65.6	159.4	170.8	73.3	0	0	0	0	110.8	Q201 Q202 L203	T199-Q201 PolarHBondContact O-N 3.01Å; T199-Q201 VanDerWaalsContact O-N 3.13Å; T199-Q201 PolarHBondContact OG1-N 2.78Å; T199-Q202 PolarHBondContact O-N 3.17Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.49Å; T199-Q202 PolarHBondContact OG1-N 2.71Å; T199-Q202 PolarHBondContact OG1-OE1 3.29Å; T199-L203 PolarHBondContact O-N 3.26Å
200	P	93.1	Very high	85.8	Confident	114 Å²	114	57.5 Å²	57.5	74%	0.74	32%	0.319	S	S	*	.	H	α-helix	trans	-55.1	-31.3	174.3	-27.8	36	0	0	0	113.7	A204	P200-A204 WeakPolarHBondContact O-CB 3.49Å; P200-A204 PolarHBondContact O-N 3.37Å; P200-A204 VanDerWaalsContact O-N 3.07Å
201	Q	93.3	Very high	86.8	Confident	134 Å²	134	58.1 Å²	58.1	63%	0.626	32%	0.324	S	S	*	.	H	α-helix	trans	-66.3	-46.9	175	-178.2	-176	-22.7	0	0	111.1	T199 L203 A204 E205	T199-Q201 PolarHBondContact O-N 3.01Å; T199-Q201 VanDerWaalsContact O-N 3.13Å; T199-Q201 PolarHBondContact OG1-N 2.78Å; Q201-L203 VanDerWaalsContact C-N 3.32Å; Q201-L203 PolarHBondContact O-N 2.84Å; Q201-A204 CarbonylContact O-C 3.27Å; Q201-A204 WeakPolarHBondContact O-CA 3.41Å; Q201-A204 WeakPolarHBondContact O-CB 3.11Å; Q201-A204 PolarHBondContact O-N 3.46Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.18Å; Q201-E205 PolarHBondContact NE2-OE1 3.17Å; Q201-E205 WeakPolarHBondContact O-CG 3.49Å; Q201-E205 PolarHBondContact O-N 2.97Å
202	Q	93.4	Very high	88.1	Confident	32 Å²	32	57.5 Å²	57.5	15%	0.15	32%	0.319	C	S	.	.	H	α-helix	trans	-64.2	-37.5	179.7	-64.7	176.5	-53.7	0	0	112	N187 F198 T199 A204 E205 Q206	N187-Q202 HydrophobicContact CB-CG 4.24Å; N187-Q202 VanDerWaalsContact CG-NE2 3.35Å; N187-Q202 VanDerWaalsContact OD1-CG 3.31Å; N187-Q202 WeakPolarHBondContact OD1-CG 3.43Å; N187-Q202 PolarHBondContact OD1-NE2 2.67Å; F198-Q202 HydrophobicContact CB-CB 4.11Å; F198-Q202 HydrophobicContact CD1-CB 4.02Å; F198-Q202 HydrophobicContact CG-CB 4.48Å; T199-Q202 PolarHBondContact O-N 3.17Å; T199-Q202 WeakPolarHBondContact OG1-CG 3.49Å; T199-Q202 PolarHBondContact OG1-N 2.71Å; T199-Q202 PolarHBondContact OG1-OE1 3.29Å; Q202-A204 VanDerWaalsContact C-N 3.32Å; Q202-A204 PolarHBondContact O-N 2.93Å; Q202-E205 WeakPolarHBondContact CA-OE2 3.43Å; Q202-E205 PolarHBondContact O-N 3.44Å; Q202-Q206 WeakPolarHBondContact O-CG 3.49Å; Q202-Q206 PolarHBondContact O-N 3.02Å; Q202-Q206 VanDerWaalsContact O-N 3.17Å
203	L	94.6	Very high	89.8	Confident	69 Å²	69	56.3 Å²	56.3	36%	0.361	31%	0.312	S	S	.	.	H	α-helix	trans	-64.7	-36.6	172.2	-66.7	175.3	0	0	0	112.2	F198 T199 Q201 Q206 D207	F198-L203 HydrophobicContact CB-CD2 3.82Å; F198-L203 HydrophobicContact CB-CG 3.9Å; F198-L203 HydrophobicContact CD2-CD2 4.37Å; F198-L203 HydrophobicContact CG-CD2 4.4Å; T199-L203 PolarHBondContact O-N 3.26Å; Q201-L203 VanDerWaalsContact C-N 3.32Å; Q201-L203 PolarHBondContact O-N 2.84Å; L203-Q206 WeakPolarHBondContact O-CB 3.49Å; L203-Q206 PolarHBondContact O-N 3.29Å; L203-D207 PolarHBondContact O-N 3.1Å
204	A	96.4	Very high	91.6	Very high	47 Å²	47	55.8 Å²	55.8	39%	0.388	31%	0.306	S	S	.	.	H	α-helix	trans	-71.5	-31.2	175.6	0	0	0	0	0	112.5	P200 Q201 Q202 Q206 D207 T208	P200-A204 WeakPolarHBondContact O-CB 3.49Å; P200-A204 PolarHBondContact O-N 3.37Å; P200-A204 VanDerWaalsContact O-N 3.07Å; Q201-A204 CarbonylContact O-C 3.27Å; Q201-A204 WeakPolarHBondContact O-CA 3.41Å; Q201-A204 WeakPolarHBondContact O-CB 3.11Å; Q201-A204 PolarHBondContact O-N 3.46Å; Q202-A204 VanDerWaalsContact C-N 3.32Å; Q202-A204 PolarHBondContact O-N 2.93Å; A204-Q206 VanDerWaalsContact C-N 3.34Å; A204-D207 PolarHBondContact O-N 3.27Å; A204-T208 WeakPolarHBondContact O-CB 2.94Å; A204-T208 PolarHBondContact O-N 2.89Å; A204-T208 PolarHBondContact O-OG1 3.41Å
205	E	97.6	Very high	93.2	Very high	33 Å²	33	52.7 Å²	52.7	15%	0.154	29%	0.289	C	S	.	.	H	α-helix	trans	-65	-38.3	172.7	-73.9	159.3	-176.8	0	0	111	L184 N187 Q201 Q202 T208 F209	L184-E205 HydrophobicContact CD2-CB 3.94Å; N187-E205 PolarHBondContact ND2-OE2 2.96Å; Q201-E205 WeakPolarHBondContact CG-OE1 3.18Å; Q201-E205 PolarHBondContact NE2-OE1 3.17Å; Q201-E205 WeakPolarHBondContact O-CG 3.49Å; Q201-E205 PolarHBondContact O-N 2.97Å; Q202-E205 WeakPolarHBondContact CA-OE2 3.43Å; Q202-E205 PolarHBondContact O-N 3.44Å; E205-T208 PolarHBondContact O-N 3.3Å; E205-F209 WeakPolarHBondContact O-CB 3.13Å; E205-F209 PolarHBondContact O-N 2.63Å
206	Q	97.8	Very high	94.4	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.019	28%	0.284	C	S	.	.	H	α-helix	trans	-61.2	-46.8	172.8	-64.8	170.8	7.5	0	0	111.7	L184 Q202 L203 A204 T208 F209 L210 F248	L184-Q206 HydrophobicContact CD2-CB 4.42Å; L184-Q206 HydrophobicContact CD2-CG 3.83Å; Q202-Q206 WeakPolarHBondContact O-CG 3.49Å; Q202-Q206 PolarHBondContact O-N 3.02Å; Q202-Q206 VanDerWaalsContact O-N 3.17Å; L203-Q206 WeakPolarHBondContact O-CB 3.49Å; L203-Q206 PolarHBondContact O-N 3.29Å; A204-Q206 VanDerWaalsContact C-N 3.34Å; Q206-T208 VanDerWaalsContact C-N 3.33Å; Q206-T208 PolarHBondContact O-N 2.94Å; Q206-F209 PolarHBondContact O-N 3.03Å; Q206-L210 WeakPolarHBondContact O-CG 3.43Å; Q206-L210 PolarHBondContact O-N 3.43Å; Q206-L210 VanDerWaalsContact O-N 3.07Å; Q206-F248 HydrophobicContact CB-CD1 4.39Å; Q206-F248 HydrophobicContact CB-CD2 4Å; Q206-F248 HydrophobicContact CB-CE1 4.48Å; Q206-F248 HydrophobicContact CB-CE2 4.15Å; Q206-F248 HydrophobicContact CB-CG 4.14Å; Q206-F248 HydrophobicContact CB-CZ 4.38Å; Q206-F248 HydrophobicContact CG-CB 4.31Å; Q206-F248 HydrophobicContact CG-CD1 3.69Å; Q206-F248 HydrophobicContact CG-CD2 4.17Å; Q206-F248 HydrophobicContact CG-CE1 3.95Å; Q206-F248 HydrophobicContact CG-CE2 4.44Å; Q206-F248 HydrophobicContact CG-CG 3.79Å; Q206-F248 HydrophobicContact CG-CZ 4.34Å
207	D	97.8	Very high	95.5	Very high	77 Å²	77	52 Å²	52	41%	0.412	28%	0.283	S	S	.	.	H	α-helix	trans	-63	-41.5	177	-70.4	-41.1	0	0	0	111.8	L203 A204 L210 K211 K244	L203-D207 PolarHBondContact O-N 3.1Å; A204-D207 PolarHBondContact O-N 3.27Å; D207-L210 PolarHBondContact O-N 3.38Å; D207-K211 WeakPolarHBondContact O-CB 3.01Å; D207-K211 PolarHBondContact O-N 3.42Å; D207-K244 VanDerWaalsContact OD1-CD 3.31Å; D207-K244 WeakPolarHBondContact OD1-CD 3.04Å; D207-K244 VanDerWaalsContact OD1-CE 3.3Å; D207-K244 WeakPolarHBondContact OD1-CE 3.05Å; D207-K244 IonicContact OD1-NZ 2.68Å; D207-K244 PolarHBondContact OD1-NZ 3.34Å; D207-K244 IonicContact OD2-NZ 3.69Å; D207-K244 PolarHBondContact OD2-NZ 2.86Å
208	T	98.5	Very high	96.4	Very high	68 Å²	68	50.4 Å²	50.4	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-62.2	-49	178.2	-60	0	0	0	0	110.4	A180 A204 E205 Q206 L210 K211 E212	A180-T208 HydrophobicContact CB-CG2 4.2Å; A204-T208 WeakPolarHBondContact O-CB 2.94Å; A204-T208 PolarHBondContact O-N 2.89Å; A204-T208 PolarHBondContact O-OG1 3.41Å; E205-T208 PolarHBondContact O-N 3.3Å; Q206-T208 VanDerWaalsContact C-N 3.33Å; Q206-T208 PolarHBondContact O-N 2.94Å; T208-L210 PolarHBondContact O-N 3.47Å; T208-K211 PolarHBondContact O-N 3.41Å; T208-E212 HydrophobicContact CG2-CG 4.2Å; T208-E212 WeakPolarHBondContact O-CB 3.18Å; T208-E212 WeakPolarHBondContact O-CG 3.16Å; T208-E212 PolarHBondContact O-N 3Å
209	F	98.6	Very high	97	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-46.6	178.4	172.2	-115.3	0	0	0	112.4	A180 F181 L184 E205 Q206 K211 E212 A213 F248 F263 P334 L338	A180-F209 HydrophobicContact CB-CB 4.04Å; A180-F209 HydrophobicContact CB-CD2 4.26Å; F181-F209 HydrophobicContact CB-CD2 3.91Å; F181-F209 HydrophobicContact CB-CE2 3.7Å; F181-F209 HydrophobicContact CB-CZ 4.49Å; F181-F209 HydrophobicContact CD2-CD2 4.48Å; F181-F209 HydrophobicContact CD2-CE1 4.39Å; F181-F209 AromaticContact CD2-CE2 3.8Å; F181-F209 HydrophobicContact CD2-CE2 3.8Å; F181-F209 AromaticContact CD2-CZ 3.73Å; F181-F209 HydrophobicContact CD2-CZ 3.73Å; F181-F209 HydrophobicContact CG-CE2 4.22Å; L184-F209 HydrophobicContact CD1-CB 3.5Å; L184-F209 HydrophobicContact CD1-CD1 3.43Å; L184-F209 VanDerWaalsContact CD1-CD1 3.43Å; L184-F209 HydrophobicContact CD1-CD2 4.38Å; L184-F209 HydrophobicContact CD1-CE1 4.22Å; L184-F209 HydrophobicContact CD1-CG 3.5Å; L184-F209 HydrophobicContact CG-CB 4.25Å; E205-F209 WeakPolarHBondContact O-CB 3.13Å; E205-F209 PolarHBondContact O-N 2.63Å; Q206-F209 PolarHBondContact O-N 3.03Å; F209-K211 VanDerWaalsContact C-N 3.3Å; F209-K211 PolarHBondContact O-N 2.87Å; F209-E212 PolarHBondContact O-N 3.04Å; F209-A213 HydrophobicContact CD2-CB 4.33Å; F209-A213 HydrophobicContact CE2-CB 3.98Å; F209-A213 HydrophobicContact CZ-CB 4.25Å; F209-A213 WeakPolarHBondContact O-CB 3.07Å; F209-A213 PolarHBondContact O-N 2.92Å; F209-F248 AromaticContact CD1-CZ 3.91Å; F209-F248 HydrophobicContact CD1-CZ 3.91Å; F209-F248 HydrophobicContact CE1-CZ 4.39Å; F209-F263 HydrophobicContact CE1-CE2 4.11Å; F209-P334 HydrophobicContact CE2-CB 3.83Å; F209-P334 HydrophobicContact CZ-CB 4.24Å; F209-L338 HydrophobicContact CE1-CD1 4.48Å; F209-L338 HydrophobicContact CE1-CD2 3.7Å; F209-L338 HydrophobicContact CZ-CD2 3.99Å
210	L	98.8	Very high	97.4	Very high	4 Å²	4	46 Å²	46	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-60.4	-41.8	178	-70.7	174.7	0	0	0	111.8	Q206 D207 T208 M214 L240 L243 K244 F248 L338	Q206-L210 WeakPolarHBondContact O-CG 3.43Å; Q206-L210 PolarHBondContact O-N 3.43Å; Q206-L210 VanDerWaalsContact O-N 3.07Å; D207-L210 PolarHBondContact O-N 3.38Å; T208-L210 PolarHBondContact O-N 3.47Å; L210-M214 WeakPolarHBondContact O-CA 3.28Å; L210-M214 VanDerWaalsContact O-CB 3.24Å; L210-M214 WeakPolarHBondContact O-CB 3.08Å; L210-M214 PolarHBondContact O-N 3.36Å; L210-L240 HydrophobicContact CB-CD2 4.46Å; L210-L243 HydrophobicContact CD2-CB 3.98Å; L210-L243 HydrophobicContact CD2-CD1 4.42Å; L210-K244 HydrophobicContact CD1-CB 3.55Å; L210-K244 HydrophobicContact CD1-CG 4.09Å; L210-F248 HydrophobicContact CD1-CD2 4.26Å; L210-F248 HydrophobicContact CD1-CE2 4Å; L210-F248 HydrophobicContact CD2-CE2 3.99Å; L210-F248 HydrophobicContact CG-CE2 3.88Å; L210-L338 HydrophobicContact CD2-CD2 3.91Å
211	K	98.7	Very high	97.7	Very high	117 Å²	117	45.9 Å²	45.9	51%	0.509	23%	0.231	S	C	.	.	I	π-helix	trans	-65.7	-48.3	177.4	-174.4	179.9	-179.7	-178.2	0	112.1	D207 T208 F209 A213 S215 N216	D207-K211 WeakPolarHBondContact O-CB 3.01Å; D207-K211 PolarHBondContact O-N 3.42Å; T208-K211 PolarHBondContact O-N 3.41Å; F209-K211 VanDerWaalsContact C-N 3.3Å; F209-K211 PolarHBondContact O-N 2.87Å; K211-A213 VanDerWaalsContact C-N 3.32Å; K211-A213 PolarHBondContact O-N 3.41Å; K211-S215 WeakPolarHBondContact O-CA 3.1Å; K211-S215 WeakPolarHBondContact O-CB 3.33Å; K211-S215 PolarHBondContact O-N 2.79Å; K211-N216 PolarHBondContact O-N 3.39Å
212	E	98.7	Very high	97.9	Very high	45 Å²	45	43.5 Å²	43.5	21%	0.21	22%	0.219	C	C	.	.	I	π-helix	trans	-63.2	-40.5	179	-67.8	-50.3	141.8	0	0	111.4	P176 A180 T208 F209 N216 T217	P176-E212 HydrophobicContact CB-CB 4.36Å; P176-E212 HydrophobicContact CB-CG 4Å; P176-E212 WeakPolarHBondContact CB-OE2 3.42Å; A180-E212 HydrophobicContact CB-CB 4.44Å; A180-E212 HydrophobicContact CB-CG 4.33Å; T208-E212 HydrophobicContact CG2-CG 4.2Å; T208-E212 WeakPolarHBondContact O-CB 3.18Å; T208-E212 WeakPolarHBondContact O-CG 3.16Å; T208-E212 PolarHBondContact O-N 3Å; F209-E212 PolarHBondContact O-N 3.04Å; E212-N216 PolarHBondContact OE1-ND2 3.35Å; E212-N216 PolarHBondContact OE2-ND2 2.65Å; E212-T217 WeakPolarHBondContact O-CG2 3.41Å
213	A	98.7	Very high	98.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.212	C	C	.	.	I	π-helix	trans	-76	-43	-178.7	0	0	0	0	0	113.1	F209 K211 T217 E335 L338	F209-A213 HydrophobicContact CD2-CB 4.33Å; F209-A213 HydrophobicContact CE2-CB 3.98Å; F209-A213 HydrophobicContact CZ-CB 4.25Å; F209-A213 WeakPolarHBondContact O-CB 3.07Å; F209-A213 PolarHBondContact O-N 2.92Å; K211-A213 VanDerWaalsContact C-N 3.32Å; K211-A213 PolarHBondContact O-N 3.41Å; A213-T217 PolarHBondContact O-OG1 2.98Å; A213-E335 HydrophobicContact CB-CB 3.71Å; A213-E335 WeakPolarHBondContact O-CB 3.4Å; A213-L338 HydrophobicContact CB-CD2 4.21Å
214	M	98.7	Very high	98.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.202	C	C	.	.	I	π-helix	trans	-104.7	-34.7	-168.1	-64.8	-65.3	136.9	0	0	114.5	L210 G220 R221 L223 F239 L240 L243 E335 L338 A339	L210-M214 WeakPolarHBondContact O-CA 3.28Å; L210-M214 VanDerWaalsContact O-CB 3.24Å; L210-M214 WeakPolarHBondContact O-CB 3.08Å; L210-M214 PolarHBondContact O-N 3.36Å; M214-G220 CarbonylContact O-C 3.6Å; M214-G220 VanDerWaalsContact O-CA 3.24Å; M214-G220 WeakPolarHBondContact O-CA 3.14Å; M214-R221 PolarHBondContact O-N 3.15Å; M214-R221 VanDerWaalsContact O-N 3.08Å; M214-L223 HydrophobicContact SD-CD2 4.41Å; M214-F239 HydrophobicContact CB-CE1 4.18Å; M214-F239 HydrophobicContact CG-CE1 4.35Å; M214-F239 HydrophobicContact SD-CE1 4.37Å; M214-F239 HydrophobicContact SD-CZ 4.28Å; M214-L240 HydrophobicContact CB-CD2 3.71Å; M214-L240 HydrophobicContact CG-CD2 4.48Å; M214-L243 HydrophobicContact CG-CD1 3.71Å; M214-L243 HydrophobicContact SD-CD1 4.24Å; M214-E335 HydrophobicContact CE-CB 4.35Å; M214-E335 WeakPolarHBondContact CE-O 3.46Å; M214-L338 HydrophobicContact CE-CB 3.82Å; M214-L338 HydrophobicContact CE-CD2 3.53Å; M214-L338 HydrophobicContact CE-CG 3.74Å; M214-L338 HydrophobicContact CG-CD2 4.3Å; M214-A339 HydrophobicContact CE-CB 3.96Å
215	S	98.4	Very high	98.4	Very high	19 Å²	19	40.1 Å²	40.1	13%	0.133	20%	0.199	C	C	.	.	I	π-helix	trans	-94.6	-38.1	-178.4	-61	0	0	0	0	112.5	K211 R221 E236	K211-S215 WeakPolarHBondContact O-CA 3.1Å; K211-S215 WeakPolarHBondContact O-CB 3.33Å; K211-S215 PolarHBondContact O-N 2.79Å; S215-R221 WeakPolarHBondContact O-CD 3.31Å; S215-R221 WeakPolarHBondContact O-CG 3.25Å; S215-R221 PolarHBondContact O-NH1 3.34Å; S215-E236 VanDerWaalsContact CB-OE1 3.28Å; S215-E236 WeakPolarHBondContact CB-OE1 3.23Å; S215-E236 PolarHBondContact OG-OE1 3.46Å
216	N	98.6	Very high	98.4	Very high	76 Å²	76	39.9 Å²	39.9	41%	0.406	20%	0.198	S	C	.	.	S	Bend	trans	-86.3	-19.3	-173.3	-67	-13	0	0	0	113.2	K211 E212 R221	K211-N216 PolarHBondContact O-N 3.39Å; E212-N216 PolarHBondContact OE1-ND2 3.35Å; E212-N216 PolarHBondContact OE2-ND2 2.65Å; N216-R221 PolarHBondContact O-NH1 3.45Å
217	T	98.7	Very high	98.4	Very high	12 Å²	12	39.7 Å²	39.7	7%	0.074	20%	0.197	C	C	.	.	S	Bend	trans	-92.8	150.5	176	71.8	0	0	0	0	111.7	E212 A213 L219 G220 R221 E335	E212-T217 WeakPolarHBondContact O-CG2 3.41Å; A213-T217 PolarHBondContact O-OG1 2.98Å; T217-L219 VanDerWaalsContact C-N 3.33Å; T217-G220 PolarHBondContact OG1-N 3.33Å; T217-R221 WeakPolarHBondContact O-CG 3.25Å; T217-R221 PolarHBondContact O-N 2.88Å; T217-R221 PolarHBondContact O-NH1 3.1Å; T217-E335 HydrophobicContact CG2-CB 4.44Å; T217-E335 HydrophobicContact CG2-CG 3.89Å; T217-E335 VanDerWaalsContact CG2-OE1 3.31Å; T217-E335 WeakPolarHBondContact CG2-OE1 3.35Å
218	E	98.4	Very high	98.2	Very high	114 Å²	114	40.7 Å²	40.7	53%	0.533	20%	0.198	S	C	.	.	H	α-helix	trans	-66.2	-38.9	173.1	-167.2	174.3	176.2	0	0	111.6	L129 G220 R221 E222	L129-E218 HydrophobicContact CD1-CG 4.39Å; L129-E218 HydrophobicContact CD2-CB 4.32Å; L129-E218 VanDerWaalsContact CD2-CD 3.47Å; L129-E218 HydrophobicContact CD2-CG 3.74Å; E218-G220 PolarHBondContact O-N 3.2Å; E218-R221 PolarHBondContact O-N 2.85Å; E218-E222 WeakPolarHBondContact O-CB 3.47Å; E218-E222 PolarHBondContact O-N 2.77Å
219	L	98.5	Very high	97.9	Very high	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.209	C	C	.	.	H	α-helix	trans	-54.7	-50	174.8	179	160.6	0	0	0	112.3	L126 L129 D130 T217 E222 L223 E335 F336 A339	L126-L219 HydrophobicContact CB-CG 4.34Å; L126-L219 HydrophobicContact CD2-CD2 3.99Å; L126-L219 HydrophobicContact CD2-CG 3.82Å; L126-L219 WeakPolarHBondContact CD2-O 3.23Å; L126-L219 WeakPolarHBondContact O-CD1 3.2Å; L129-L219 HydrophobicContact CB-CB 3.95Å; D130-L219 HydrophobicContact CB-CD1 3.89Å; T217-L219 VanDerWaalsContact C-N 3.33Å; L219-E222 PolarHBondContact O-N 3.29Å; L219-L223 PolarHBondContact O-N 2.74Å; L219-L223 VanDerWaalsContact O-N 3.1Å; L219-E335 HydrophobicContact CD1-CG 4.42Å; L219-E335 HydrophobicContact CD2-CB 4.4Å; L219-E335 HydrophobicContact CD2-CG 4.36Å; L219-F336 HydrophobicContact CD1-CB 3.88Å; L219-F336 HydrophobicContact CD1-CD2 3.83Å; L219-F336 HydrophobicContact CD1-CG 4.36Å; L219-A339 HydrophobicContact CD2-CB 3.44Å; L219-A339 VanDerWaalsContact CD2-CB 3.44Å
220	G	98.7	Very high	97.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.4	-44.4	-179.6	0	0	0	0	0	112.9	M214 T217 E218 E222 L223 Y224	M214-G220 CarbonylContact O-C 3.6Å; M214-G220 VanDerWaalsContact O-CA 3.24Å; M214-G220 WeakPolarHBondContact O-CA 3.14Å; T217-G220 PolarHBondContact OG1-N 3.33Å; E218-G220 PolarHBondContact O-N 3.2Å; G220-E222 VanDerWaalsContact C-N 3.31Å; G220-E222 PolarHBondContact O-N 3.04Å; G220-L223 PolarHBondContact O-N 3.11Å; G220-Y224 PolarHBondContact O-N 3.28Å
221	R	98.6	Very high	97	Very high	111 Å²	111	46.3 Å²	46.3	42%	0.419	24%	0.242	S	C	.	.	H	α-helix	trans	-63.7	-36.8	176.8	-70.2	-170.1	-58.9	-87.4	-1.1	112.1	M214 S215 N216 T217 E218 Y224 A225	M214-R221 PolarHBondContact O-N 3.15Å; M214-R221 VanDerWaalsContact O-N 3.08Å; S215-R221 WeakPolarHBondContact O-CD 3.31Å; S215-R221 WeakPolarHBondContact O-CG 3.25Å; S215-R221 PolarHBondContact O-NH1 3.34Å; N216-R221 PolarHBondContact O-NH1 3.45Å; T217-R221 WeakPolarHBondContact O-CG 3.25Å; T217-R221 PolarHBondContact O-N 2.88Å; T217-R221 PolarHBondContact O-NH1 3.1Å; E218-R221 PolarHBondContact O-N 2.85Å; R221-Y224 PolarHBondContact O-N 2.82Å; R221-A225 VanDerWaalsContact O-CB 3.32Å; R221-A225 WeakPolarHBondContact O-CB 3.24Å; R221-A225 PolarHBondContact O-N 2.74Å
222	E	98.7	Very high	96.7	Very high	84 Å²	84	44.3 Å²	44.3	39%	0.393	23%	0.231	S	C	.	.	H	α-helix	trans	-66.3	-43.1	176.6	-173.5	67.1	-168.1	0	0	111.4	M122 L129 E218 L219 G220 Y224 A225 F226	M122-E222 HydrophobicContact CE-CB 4.29Å; M122-E222 HydrophobicContact CE-CG 3.4Å; M122-E222 VanDerWaalsContact CE-CG 3.4Å; L129-E222 HydrophobicContact CD1-CB 3.58Å; L129-E222 HydrophobicContact CD1-CG 3.74Å; E218-E222 WeakPolarHBondContact O-CB 3.47Å; E218-E222 PolarHBondContact O-N 2.77Å; L219-E222 PolarHBondContact O-N 3.29Å; G220-E222 VanDerWaalsContact C-N 3.31Å; G220-E222 PolarHBondContact O-N 3.04Å; E222-Y224 PolarHBondContact O-N 3.03Å; E222-A225 PolarHBondContact O-N 3.35Å; E222-F226 WeakPolarHBondContact O-CB 3.34Å; E222-F226 PolarHBondContact O-N 3.25Å
223	L	98.8	Very high	96.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-58.9	-47.5	173.5	176.9	60.5	0	0	0	111.3	L126 M214 L219 G220 F226 L227 F239 A339 L343	L126-L223 HydrophobicContact CD2-CB 4.06Å; M214-L223 HydrophobicContact SD-CD2 4.41Å; L219-L223 PolarHBondContact O-N 2.74Å; L219-L223 VanDerWaalsContact O-N 3.1Å; G220-L223 PolarHBondContact O-N 3.11Å; L223-F226 PolarHBondContact O-N 3.3Å; L223-L227 HydrophobicContact CD1-CD1 3.68Å; L223-L227 HydrophobicContact CD1-CG 4.06Å; L223-L227 HydrophobicContact CG-CD1 3.84Å; L223-L227 WeakPolarHBondContact O-CG 3.41Å; L223-L227 PolarHBondContact O-N 2.77Å; L223-F239 HydrophobicContact CD2-CZ 4.14Å; L223-F239 HydrophobicContact CG-CZ 4.29Å; L223-A339 HydrophobicContact CD2-CB 3.7Å; L223-L343 HydrophobicContact CD1-CB 3.93Å; L223-L343 HydrophobicContact CD1-CD1 4.03Å; L223-L343 HydrophobicContact CD1-CG 4.45Å
224	Y	98.6	Very high	96	Very high	37 Å²	37	47 Å²	47	15%	0.145	25%	0.254	C	S	.	.	H	α-helix	trans	-60	-48.6	177.3	168.5	-115.4	0	0	0	111.2	G220 R221 E222 F226 L227 F228 S235 E236 F239	G220-Y224 PolarHBondContact O-N 3.28Å; R221-Y224 PolarHBondContact O-N 2.82Å; E222-Y224 PolarHBondContact O-N 3.03Å; Y224-F226 VanDerWaalsContact C-N 3.31Å; Y224-F226 PolarHBondContact O-N 2.86Å; Y224-L227 PolarHBondContact O-N 2.69Å; Y224-L227 VanDerWaalsContact O-N 3.15Å; Y224-F228 HydrophobicContact CD2-CB 4.49Å; Y224-F228 HydrophobicContact CE2-CB 4Å; Y224-F228 HydrophobicContact CE2-CD2 4.33Å; Y224-F228 AromaticContact CZ-CD2 3.99Å; Y224-F228 VanDerWaalsContact O-CB 3.23Å; Y224-F228 WeakPolarHBondContact O-CB 3.31Å; Y224-F228 PolarHBondContact O-N 2.91Å; Y224-F228 VanDerWaalsContact OH-CD2 3.3Å; Y224-F228 WeakPolarHBondContact OH-CD2 3.47Å; Y224-S235 WeakPolarHBondContact CE2-O 3.35Å; Y224-S235 VanDerWaalsContact OH-CA 3.3Å; Y224-S235 WeakPolarHBondContact OH-CA 3.39Å; Y224-E236 HydrophobicContact CD1-CB 4.19Å; Y224-E236 HydrophobicContact CD1-CG 4.13Å; Y224-E236 HydrophobicContact CE1-CB 3.72Å; Y224-E236 HydrophobicContact CE1-CG 4.18Å; Y224-E236 VanDerWaalsContact CE2-CA 3.47Å; Y224-E236 HydrophobicContact CE2-CB 4.13Å; Y224-E236 HydrophobicContact CG-CG 4.35Å; Y224-E236 VanDerWaalsContact CZ-CA 3.45Å; Y224-E236 VanDerWaalsContact CZ-N 3.26Å; Y224-E236 PolarHBondContact OH-N 2.88Å; Y224-F239 HydrophobicContact CD2-CB 3.61Å; Y224-F239 AromaticContact CD2-CD1 3.65Å; Y224-F239 HydrophobicContact CD2-CD1 3.65Å; Y224-F239 HydrophobicContact CD2-CE1 4.45Å; Y224-F239 AromaticContact CD2-CG 3.71Å; Y224-F239 HydrophobicContact CD2-CG 3.71Å; Y224-F239 HydrophobicContact CE2-CB 3.93Å; Y224-F239 AromaticContact CG-CD1 3.99Å; Y224-F239 HydrophobicContact CG-CD1 3.99Å; Y224-F239 HydrophobicContact CG-CE1 4.47Å; Y224-F239 HydrophobicContact CG-CG 4.48Å
225	A	97.3	Very high	95.8	Very high	40 Å²	40	48.7 Å²	48.7	33%	0.331	27%	0.265	S	S	.	.	H	α-helix	trans	-58.1	-43.2	179.4	0	0	0	0	0	111.9	R221 E222 T229	R221-A225 VanDerWaalsContact O-CB 3.32Å; R221-A225 WeakPolarHBondContact O-CB 3.24Å; R221-A225 PolarHBondContact O-N 2.74Å; E222-A225 PolarHBondContact O-N 3.35Å; A225-T229 WeakPolarHBondContact O-CB 3.37Å; A225-T229 VanDerWaalsContact O-CG2 3.23Å; A225-T229 WeakPolarHBondContact O-CG2 3.32Å; A225-T229 PolarHBondContact O-N 3.46Å; A225-T229 PolarHBondContact O-OG1 3.25Å
226	F	97.8	Very high	95.8	Very high	28 Å²	28	50.4 Å²	50.4	12%	0.123	27%	0.271	C	S	.	.	H	α-helix	trans	-60	-50.6	173.7	172.6	-105.2	0	0	0	112	I114 E118 M122 E222 L223 Y224 F228 T229 K230 L343	I114-F226 HydrophobicContact CD1-CE1 4.22Å; I114-F226 HydrophobicContact CG1-CZ 4.49Å; I114-F226 HydrophobicContact CG2-CE1 4.07Å; I114-F226 HydrophobicContact CG2-CZ 3.63Å; E118-F226 HydrophobicContact CB-CE2 4.17Å; E118-F226 HydrophobicContact CB-CZ 4.11Å; M122-F226 HydrophobicContact CB-CE1 4.44Å; M122-F226 HydrophobicContact CG-CB 4.48Å; M122-F226 HydrophobicContact CG-CD1 3.89Å; M122-F226 HydrophobicContact CG-CE1 4.24Å; M122-F226 HydrophobicContact CG-CG 4.07Å; M122-F226 HydrophobicContact SD-CB 3.39Å; M122-F226 WeakPolarHBondContact SD-CB 3.08Å; M122-F226 HydrophobicContact SD-CD1 3.89Å; M122-F226 HydrophobicContact SD-CD2 3.97Å; M122-F226 HydrophobicContact SD-CG 3.47Å; M122-F226 WeakPolarHBondContact SD-CG 3.39Å; E222-F226 WeakPolarHBondContact O-CB 3.34Å; E222-F226 PolarHBondContact O-N 3.25Å; L223-F226 PolarHBondContact O-N 3.3Å; Y224-F226 VanDerWaalsContact C-N 3.31Å; Y224-F226 PolarHBondContact O-N 2.86Å; F226-F228 VanDerWaalsContact C-N 3.34Å; F226-F228 PolarHBondContact O-N 2.63Å; F226-T229 PolarHBondContact O-N 3.24Å; F226-T229 PolarHBondContact O-OG1 3.43Å; F226-K230 HydrophobicContact CD2-CG 4.26Å; F226-K230 HydrophobicContact CE1-CG 4.49Å; F226-K230 HydrophobicContact CE2-CD 4.36Å; F226-K230 HydrophobicContact CE2-CG 3.95Å; F226-K230 HydrophobicContact CZ-CG 4.1Å; F226-K230 VanDerWaalsContact O-CG 3.23Å; F226-K230 WeakPolarHBondContact O-CG 3.38Å; F226-K230 PolarHBondContact O-N 3.06Å; F226-L343 HydrophobicContact CD1-CD1 4.19Å; F226-L343 HydrophobicContact CE1-CD1 3.8Å
227	L	97.4	Very high	95.7	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-67.8	-35	-178.1	-66.7	169.9	0	0	0	112.3	I114 L223 Y224 K230 G231 R232 Y233 F239 I346	I114-L227 HydrophobicContact CD1-CD2 4.18Å; L223-L227 HydrophobicContact CD1-CD1 3.68Å; L223-L227 HydrophobicContact CD1-CG 4.06Å; L223-L227 HydrophobicContact CG-CD1 3.84Å; L223-L227 WeakPolarHBondContact O-CG 3.41Å; L223-L227 PolarHBondContact O-N 2.77Å; Y224-L227 PolarHBondContact O-N 2.69Å; Y224-L227 VanDerWaalsContact O-N 3.15Å; L227-K230 CarbonylContact O-C 3.43Å; L227-K230 PolarHBondContact O-N 3.12Å; L227-G231 PolarHBondContact O-N 3Å; L227-R232 HydrophobicContact CB-CB 4.19Å; L227-R232 HydrophobicContact CD2-CB 4.42Å; L227-R232 HydrophobicContact CD2-CG 4.2Å; L227-R232 WeakPolarHBondContact O-CB 3.37Å; L227-R232 PolarHBondContact O-N 3.39Å; L227-Y233 HydrophobicContact CB-CD2 3.79Å; L227-Y233 HydrophobicContact CB-CE2 4.08Å; L227-Y233 HydrophobicContact CD1-CD2 4.46Å; L227-Y233 HydrophobicContact CD1-CE2 4Å; L227-F239 HydrophobicContact CD1-CD2 4.46Å; L227-F239 HydrophobicContact CD1-CE2 3.86Å; L227-I346 HydrophobicContact CD1-CD1 3.85Å; L227-I346 HydrophobicContact CD2-CG2 4Å
228	F	93.6	Very high	95.6	Very high	97 Å²	97	55.9 Å²	55.9	43%	0.425	29%	0.293	S	S	.	.	H	α-helix	trans	-62.3	-50.2	172.9	177.3	-95.9	0	0	0	111.5	Y224 F226 K230 G231 Y233 S234	Y224-F228 HydrophobicContact CD2-CB 4.49Å; Y224-F228 HydrophobicContact CE2-CB 4Å; Y224-F228 HydrophobicContact CE2-CD2 4.33Å; Y224-F228 AromaticContact CZ-CD2 3.99Å; Y224-F228 VanDerWaalsContact O-CB 3.23Å; Y224-F228 WeakPolarHBondContact O-CB 3.31Å; Y224-F228 PolarHBondContact O-N 2.91Å; Y224-F228 VanDerWaalsContact OH-CD2 3.3Å; Y224-F228 WeakPolarHBondContact OH-CD2 3.47Å; F226-F228 VanDerWaalsContact C-N 3.34Å; F226-F228 PolarHBondContact O-N 2.63Å; F228-K230 PolarHBondContact O-N 2.89Å; F228-G231 WeakPolarHBondContact O-CA 3.27Å; F228-G231 PolarHBondContact O-N 2.92Å; F228-Y233 VanDerWaalsContact CD2-O 3.27Å; F228-Y233 WeakPolarHBondContact CD2-O 3.34Å; F228-S234 WeakPolarHBondContact CE2-O 3.44Å
229	T	91	Very high	95.6	Very high	106 Å²	106	50.5 Å²	50.5	65%	0.65	27%	0.268	S	S	*	.	H	α-helix	trans	-64.4	-28.2	178.4	56.5	0	0	0	0	112.9	A225 F226 G231	A225-T229 WeakPolarHBondContact O-CB 3.37Å; A225-T229 VanDerWaalsContact O-CG2 3.23Å; A225-T229 WeakPolarHBondContact O-CG2 3.32Å; A225-T229 PolarHBondContact O-N 3.46Å; A225-T229 PolarHBondContact O-OG1 3.25Å; F226-T229 PolarHBondContact O-N 3.24Å; F226-T229 PolarHBondContact O-OG1 3.43Å; T229-G231 PolarHBondContact O-N 3.49Å
230	K	91.5	Very high	95.6	Very high	25 Å²	25	52.1 Å²	52.1	11%	0.109	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	5.8	172.5	-60.6	-63.5	-70.2	-177.7	0	113.5	S112 I114 E118 F226 L227 F228 R232	S112-K230 WeakPolarHBondContact O-CE 3.46Å; S112-K230 PolarHBondContact O-NZ 3.19Å; S112-K230 WeakPolarHBondContact OG-CE 3.23Å; S112-K230 PolarHBondContact OG-NZ 3.38Å; I114-K230 HydrophobicContact CD1-CB 3.88Å; I114-K230 HydrophobicContact CD1-CG 4.16Å; I114-K230 HydrophobicContact CG1-CB 3.92Å; I114-K230 HydrophobicContact CG1-CD 4.32Å; I114-K230 VanDerWaalsContact CG1-CE 3.48Å; I114-K230 HydrophobicContact CG1-CG 3.93Å; E118-K230 VanDerWaalsContact CD-NZ 3.32Å; E118-K230 WeakPolarHBondContact OE1-CE 3.46Å; E118-K230 IonicContact OE1-NZ 3.48Å; E118-K230 PolarHBondContact OE1-NZ 2.87Å; E118-K230 IonicContact OE2-NZ 3.81Å; E118-K230 PolarHBondContact OE2-NZ 2.99Å; F226-K230 HydrophobicContact CD2-CG 4.26Å; F226-K230 HydrophobicContact CE1-CG 4.49Å; F226-K230 HydrophobicContact CE2-CD 4.36Å; F226-K230 HydrophobicContact CE2-CG 3.95Å; F226-K230 HydrophobicContact CZ-CG 4.1Å; F226-K230 VanDerWaalsContact O-CG 3.23Å; F226-K230 WeakPolarHBondContact O-CG 3.38Å; F226-K230 PolarHBondContact O-N 3.06Å; L227-K230 CarbonylContact O-C 3.43Å; L227-K230 PolarHBondContact O-N 3.12Å; F228-K230 PolarHBondContact O-N 2.89Å; K230-R232 VanDerWaalsContact C-N 3.29Å; K230-R232 HydrophobicContact CB-CG 4.35Å; K230-R232 PolarHBondContact O-N 3.35Å
231	G	88.5	Confident	95.5	Very high	59 Å²	59	57.8 Å²	57.8	61%	0.608	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	24.6	176.5	0	0	0	0	0	113.8	L227 F228 T229	L227-G231 PolarHBondContact O-N 3Å; F228-G231 WeakPolarHBondContact O-CA 3.27Å; F228-G231 PolarHBondContact O-N 2.92Å; T229-G231 PolarHBondContact O-N 3.49Å
232	R	90.7	Very high	95.5	Very high	76 Å²	76	53 Å²	53	29%	0.287	29%	0.286	S	S	.	.	S	Bend	trans	-82.6	-26.7	178	-60.1	-61.9	174.3	141	-11.6	112.8	I114 L227 K230	I114-R232 HydrophobicContact CD1-CG 3.88Å; L227-R232 HydrophobicContact CB-CB 4.19Å; L227-R232 HydrophobicContact CD2-CB 4.42Å; L227-R232 HydrophobicContact CD2-CG 4.2Å; L227-R232 WeakPolarHBondContact O-CB 3.37Å; L227-R232 PolarHBondContact O-N 3.39Å; K230-R232 VanDerWaalsContact C-N 3.29Å; K230-R232 HydrophobicContact CB-CG 4.35Å; K230-R232 PolarHBondContact O-N 3.35Å
233	Y	93.1	Very high	95.5	Very high	11 Å²	11	49 Å²	49	4%	0.043	27%	0.267	C	S	.	.			trans	-139	147.9	177	-60.9	-75.7	0	0	0	109.8	L227 F228 E238 F239 D242 I346	L227-Y233 HydrophobicContact CB-CD2 3.79Å; L227-Y233 HydrophobicContact CB-CE2 4.08Å; L227-Y233 HydrophobicContact CD1-CD2 4.46Å; L227-Y233 HydrophobicContact CD1-CE2 4Å; F228-Y233 VanDerWaalsContact CD2-O 3.27Å; F228-Y233 WeakPolarHBondContact CD2-O 3.34Å; Y233-E238 HydrophobicContact CD1-CG 4.12Å; Y233-F239 HydrophobicContact CD1-CB 4.1Å; Y233-F239 HydrophobicContact CD2-CB 4.18Å; Y233-F239 AromaticContact CD2-CD2 3.79Å; Y233-F239 HydrophobicContact CD2-CD2 3.79Å; Y233-F239 HydrophobicContact CD2-CG 4.38Å; Y233-F239 HydrophobicContact CE1-CD2 4.4Å; Y233-F239 AromaticContact CE2-CD2 3.6Å; Y233-F239 HydrophobicContact CE2-CD2 3.6Å; Y233-F239 HydrophobicContact CE2-CE2 4.25Å; Y233-F239 HydrophobicContact CG-CB 3.89Å; Y233-F239 HydrophobicContact CG-CD2 4.3Å; Y233-F239 AromaticContact CZ-CD2 3.93Å; Y233-D242 HydrophobicContact CE1-CB 3.64Å; Y233-D242 WeakPolarHBondContact CE1-OD2 3.43Å; Y233-D242 PolarHBondContact OH-OD2 3.33Å; Y233-I346 HydrophobicContact CE2-CD1 4.14Å; Y233-I346 VanDerWaalsContact OH-CD1 3.32Å; Y233-I346 WeakPolarHBondContact OH-CD1 3.4Å
234	S	90.8	Very high	95.4	Very high	91 Å²	91	51.1 Å²	51.1	64%	0.636	28%	0.276	S	S	*	.	S	Bend	trans	-98.5	-15.8	179.3	65.3	0	0	0	0	113.5	F228 E238	F228-S234 WeakPolarHBondContact CE2-O 3.44Å; S234-E238 WeakPolarHBondContact CB-OE2 3.18Å; S234-E238 PolarHBondContact N-OE2 3.5Å; S234-E238 PolarHBondContact OG-OE2 2.76Å
235	S	95	Very high	95.3	Very high	34 Å²	34	51.9 Å²	51.9	24%	0.238	28%	0.281	C	S	.	.	S	Bend	trans	-156.1	167.1	173.6	89.4	0	0	0	0	111.9	Y224 E237 E238 F239	Y224-S235 WeakPolarHBondContact CE2-O 3.35Å; Y224-S235 VanDerWaalsContact OH-CA 3.3Å; Y224-S235 WeakPolarHBondContact OH-CA 3.39Å; S235-E237 VanDerWaalsContact C-N 3.3Å; S235-E237 WeakPolarHBondContact CB-OE2 3.28Å; S235-E237 PolarHBondContact OG-N 2.74Å; S235-E237 PolarHBondContact OG-OE2 3.36Å; S235-E238 PolarHBondContact O-N 2.77Å; S235-E238 PolarHBondContact OG-N 2.63Å; S235-F239 PolarHBondContact O-N 2.8Å; S235-F239 VanDerWaalsContact O-N 3.14Å
236	E	96.9	Very high	95.2	Very high	56 Å²	56	50.1 Å²	50.1	26%	0.262	27%	0.267	S	S	.	.	H	α-helix	trans	-69.9	-35.3	178.4	-170.8	178.6	-175	0	0	110	S215 Y224 E238 F239 L240	S215-E236 VanDerWaalsContact CB-OE1 3.28Å; S215-E236 WeakPolarHBondContact CB-OE1 3.23Å; S215-E236 PolarHBondContact OG-OE1 3.46Å; Y224-E236 HydrophobicContact CD1-CB 4.19Å; Y224-E236 HydrophobicContact CD1-CG 4.13Å; Y224-E236 HydrophobicContact CE1-CB 3.72Å; Y224-E236 HydrophobicContact CE1-CG 4.18Å; Y224-E236 VanDerWaalsContact CE2-CA 3.47Å; Y224-E236 HydrophobicContact CE2-CB 4.13Å; Y224-E236 HydrophobicContact CG-CG 4.35Å; Y224-E236 VanDerWaalsContact CZ-CA 3.45Å; Y224-E236 VanDerWaalsContact CZ-N 3.26Å; Y224-E236 PolarHBondContact OH-N 2.88Å; E236-E238 VanDerWaalsContact C-N 3.32Å; E236-E238 PolarHBondContact O-N 2.92Å; E236-F239 WeakPolarHBondContact O-CB 3.48Å; E236-F239 PolarHBondContact O-N 3.38Å; E236-L240 HydrophobicContact CG-CD1 4.28Å; E236-L240 HydrophobicContact CG-CG 4.33Å; E236-L240 WeakPolarHBondContact O-CG 3.35Å; E236-L240 PolarHBondContact O-N 2.53Å
237	E	97.7	Very high	95.1	Very high	135 Å²	135	48.8 Å²	48.8	63%	0.631	26%	0.261	S	S	*	.	H	α-helix	trans	-62.3	-40.4	175.4	-56.6	76.6	-168.2	0	0	111.2	S235 H241	S235-E237 VanDerWaalsContact C-N 3.3Å; S235-E237 WeakPolarHBondContact CB-OE2 3.28Å; S235-E237 PolarHBondContact OG-N 2.74Å; S235-E237 PolarHBondContact OG-OE2 3.36Å; E237-H241 WeakPolarHBondContact O-CB 3.17Å; E237-H241 PolarHBondContact O-N 3.27Å
238	E	96.9	Very high	95	Very high	68 Å²	68	49.2 Å²	49.2	32%	0.318	26%	0.262	S	S	.	.	H	α-helix	trans	-63.3	-44.9	173.8	-169.5	-166.8	168.2	0	0	111.1	Y233 S234 S235 E236 H241 D242	Y233-E238 HydrophobicContact CD1-CG 4.12Å; S234-E238 WeakPolarHBondContact CB-OE2 3.18Å; S234-E238 PolarHBondContact N-OE2 3.5Å; S234-E238 PolarHBondContact OG-OE2 2.76Å; S235-E238 PolarHBondContact O-N 2.77Å; S235-E238 PolarHBondContact OG-N 2.63Å; E236-E238 VanDerWaalsContact C-N 3.32Å; E236-E238 PolarHBondContact O-N 2.92Å; E238-H241 PolarHBondContact O-N 3.26Å; E238-D242 WeakPolarHBondContact O-CB 3.41Å; E238-D242 PolarHBondContact O-N 3.24Å
239	F	98.1	Very high	95	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-60.3	-50.7	177.9	170	-119.4	0	0	0	112.1	M214 L223 Y224 L227 Y233 S235 E236 H241 D242 L243	M214-F239 HydrophobicContact CB-CE1 4.18Å; M214-F239 HydrophobicContact CG-CE1 4.35Å; M214-F239 HydrophobicContact SD-CE1 4.37Å; M214-F239 HydrophobicContact SD-CZ 4.28Å; L223-F239 HydrophobicContact CD2-CZ 4.14Å; L223-F239 HydrophobicContact CG-CZ 4.29Å; Y224-F239 HydrophobicContact CD2-CB 3.61Å; Y224-F239 AromaticContact CD2-CD1 3.65Å; Y224-F239 HydrophobicContact CD2-CD1 3.65Å; Y224-F239 HydrophobicContact CD2-CE1 4.45Å; Y224-F239 AromaticContact CD2-CG 3.71Å; Y224-F239 HydrophobicContact CD2-CG 3.71Å; Y224-F239 HydrophobicContact CE2-CB 3.93Å; Y224-F239 AromaticContact CG-CD1 3.99Å; Y224-F239 HydrophobicContact CG-CD1 3.99Å; Y224-F239 HydrophobicContact CG-CE1 4.47Å; Y224-F239 HydrophobicContact CG-CG 4.48Å; L227-F239 HydrophobicContact CD1-CD2 4.46Å; L227-F239 HydrophobicContact CD1-CE2 3.86Å; Y233-F239 HydrophobicContact CD1-CB 4.1Å; Y233-F239 HydrophobicContact CD2-CB 4.18Å; Y233-F239 AromaticContact CD2-CD2 3.79Å; Y233-F239 HydrophobicContact CD2-CD2 3.79Å; Y233-F239 HydrophobicContact CD2-CG 4.38Å; Y233-F239 HydrophobicContact CE1-CD2 4.4Å; Y233-F239 AromaticContact CE2-CD2 3.6Å; Y233-F239 HydrophobicContact CE2-CD2 3.6Å; Y233-F239 HydrophobicContact CE2-CE2 4.25Å; Y233-F239 HydrophobicContact CG-CB 3.89Å; Y233-F239 HydrophobicContact CG-CD2 4.3Å; Y233-F239 AromaticContact CZ-CD2 3.93Å; S235-F239 PolarHBondContact O-N 2.8Å; S235-F239 VanDerWaalsContact O-N 3.14Å; E236-F239 WeakPolarHBondContact O-CB 3.48Å; E236-F239 PolarHBondContact O-N 3.38Å; F239-H241 PolarHBondContact O-N 3.11Å; F239-D242 PolarHBondContact O-N 3.14Å; F239-L243 HydrophobicContact CD1-CD1 4.39Å; F239-L243 HydrophobicContact CD2-CD1 4.33Å; F239-L243 HydrophobicContact CD2-CG 4.18Å; F239-L243 HydrophobicContact CE1-CD1 3.79Å; F239-L243 HydrophobicContact CE2-CD1 3.72Å; F239-L243 HydrophobicContact CE2-CD2 4.06Å; F239-L243 HydrophobicContact CE2-CG 3.82Å; F239-L243 HydrophobicContact CZ-CD1 3.43Å; F239-L243 VanDerWaalsContact CZ-CD1 3.43Å; F239-L243 HydrophobicContact CZ-CD2 4.48Å; F239-L243 HydrophobicContact CZ-CG 4.08Å; F239-L243 WeakPolarHBondContact O-CG 3.38Å; F239-L243 PolarHBondContact O-N 3.06Å
240	L	98.5	Very high	94.9	Very high	36 Å²	36	41.6 Å²	41.6	19%	0.188	22%	0.224	C	C	.	.	H	α-helix	trans	-64	-40.5	178.8	-67	177.6	0	0	0	111.9	L210 M214 E236 D242 L243 K244	L210-L240 HydrophobicContact CB-CD2 4.46Å; M214-L240 HydrophobicContact CB-CD2 3.71Å; M214-L240 HydrophobicContact CG-CD2 4.48Å; E236-L240 HydrophobicContact CG-CD1 4.28Å; E236-L240 HydrophobicContact CG-CG 4.33Å; E236-L240 WeakPolarHBondContact O-CG 3.35Å; E236-L240 PolarHBondContact O-N 2.53Å; L240-D242 VanDerWaalsContact C-N 3.33Å; L240-L243 PolarHBondContact O-N 3.5Å; L240-K244 WeakPolarHBondContact O-CB 3.33Å; L240-K244 PolarHBondContact O-N 3.06Å
241	H	97.1	Very high	94.6	Very high	119 Å²	119	40.4 Å²	40.4	55%	0.551	22%	0.219	S	C	*	.	H	α-helix	trans	-62.6	-42.6	175.3	-179	70.3	0	0	0	111.5	E237 E238 F239 K244 M245	E237-H241 WeakPolarHBondContact O-CB 3.17Å; E237-H241 PolarHBondContact O-N 3.27Å; E238-H241 PolarHBondContact O-N 3.26Å; F239-H241 PolarHBondContact O-N 3.11Å; H241-K244 WeakPolarHBondContact O-CB 3.36Å; H241-K244 PolarHBondContact O-N 3.17Å; H241-M245 WeakPolarHBondContact O-CG 3.31Å; H241-M245 PolarHBondContact O-N 3.23Å
242	D	97.4	Very high	94.3	Very high	11 Å²	11	39 Å²	39	6%	0.059	20%	0.2	C	C	.	.	H	α-helix	trans	-64.7	-43.2	177.4	-159	45.6	0	0	0	111.6	Y233 E238 F239 L240 K244 M245 M246 Y374 K378	Y233-D242 HydrophobicContact CE1-CB 3.64Å; Y233-D242 WeakPolarHBondContact CE1-OD2 3.43Å; Y233-D242 PolarHBondContact OH-OD2 3.33Å; E238-D242 WeakPolarHBondContact O-CB 3.41Å; E238-D242 PolarHBondContact O-N 3.24Å; F239-D242 PolarHBondContact O-N 3.14Å; L240-D242 VanDerWaalsContact C-N 3.33Å; D242-K244 VanDerWaalsContact C-N 3.31Å; D242-K244 PolarHBondContact O-N 2.94Å; D242-M245 PolarHBondContact O-N 3.44Å; D242-M246 WeakPolarHBondContact O-CB 3.25Å; D242-M246 PolarHBondContact O-N 3.13Å; D242-Y374 WeakPolarHBondContact OD1-CE2 3.4Å; D242-K378 WeakPolarHBondContact OD1-CD 3.37Å; D242-K378 WeakPolarHBondContact OD1-CE 3.33Å; D242-K378 IonicContact OD1-NZ 2.97Å; D242-K378 PolarHBondContact OD1-NZ 3.46Å; D242-K378 IonicContact OD2-NZ 3.75Å; D242-K378 PolarHBondContact OD2-NZ 3.24Å
243	L	98.3	Very high	93.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.6	-42.6	172.7	-71.4	-174.4	0	0	0	111.4	L210 M214 F239 L240 M245 M246 W247 S342	L210-L243 HydrophobicContact CD2-CB 3.98Å; L210-L243 HydrophobicContact CD2-CD1 4.42Å; M214-L243 HydrophobicContact CG-CD1 3.71Å; M214-L243 HydrophobicContact SD-CD1 4.24Å; F239-L243 HydrophobicContact CD1-CD1 4.39Å; F239-L243 HydrophobicContact CD2-CD1 4.33Å; F239-L243 HydrophobicContact CD2-CG 4.18Å; F239-L243 HydrophobicContact CE1-CD1 3.79Å; F239-L243 HydrophobicContact CE2-CD1 3.72Å; F239-L243 HydrophobicContact CE2-CD2 4.06Å; F239-L243 HydrophobicContact CE2-CG 3.82Å; F239-L243 HydrophobicContact CZ-CD1 3.43Å; F239-L243 VanDerWaalsContact CZ-CD1 3.43Å; F239-L243 HydrophobicContact CZ-CD2 4.48Å; F239-L243 HydrophobicContact CZ-CG 4.08Å; F239-L243 WeakPolarHBondContact O-CG 3.38Å; F239-L243 PolarHBondContact O-N 3.06Å; L240-L243 PolarHBondContact O-N 3.5Å; L243-M245 PolarHBondContact O-N 3.34Å; L243-M246 HydrophobicContact CD2-SD 4.37Å; L243-M246 PolarHBondContact O-N 3.37Å; L243-W247 WeakPolarHBondContact O-CB 3.27Å; L243-W247 VanDerWaalsContact O-CD1 3.27Å; L243-W247 PolarHBondContact O-N 3.05Å; L243-S342 WeakPolarHBondContact CD2-OG 3.36Å
244	K	97.6	Very high	92.4	Very high	44 Å²	44	43.3 Å²	43.3	19%	0.191	22%	0.217	C	C	.	.	H	α-helix	trans	-57.6	-50.6	177.2	-170.1	177.2	-171.9	169.2	0	111.3	D207 L210 L240 H241 D242 F248 G249	D207-K244 VanDerWaalsContact OD1-CD 3.31Å; D207-K244 WeakPolarHBondContact OD1-CD 3.04Å; D207-K244 VanDerWaalsContact OD1-CE 3.3Å; D207-K244 WeakPolarHBondContact OD1-CE 3.05Å; D207-K244 IonicContact OD1-NZ 2.68Å; D207-K244 PolarHBondContact OD1-NZ 3.34Å; D207-K244 IonicContact OD2-NZ 3.69Å; D207-K244 PolarHBondContact OD2-NZ 2.86Å; L210-K244 HydrophobicContact CD1-CB 3.55Å; L210-K244 HydrophobicContact CD1-CG 4.09Å; L240-K244 WeakPolarHBondContact O-CB 3.33Å; L240-K244 PolarHBondContact O-N 3.06Å; H241-K244 WeakPolarHBondContact O-CB 3.36Å; H241-K244 PolarHBondContact O-N 3.17Å; D242-K244 VanDerWaalsContact C-N 3.31Å; D242-K244 PolarHBondContact O-N 2.94Å; K244-F248 HydrophobicContact CG-CD2 4.27Å; K244-F248 WeakPolarHBondContact O-CA 3.41Å; K244-F248 WeakPolarHBondContact O-CB 3.3Å; K244-F248 PolarHBondContact O-N 2.92Å; K244-G249 PolarHBondContact O-N 3.31Å
245	M	95.6	Very high	91.2	Very high	53 Å²	53	42.8 Å²	42.8	26%	0.261	22%	0.219	S	C	.	.	H	α-helix	trans	-68.1	-39.1	179.5	-64.8	-53.8	-60.2	0	0	112.3	H241 D242 L243 G249 Y374 Y380	H241-M245 WeakPolarHBondContact O-CG 3.31Å; H241-M245 PolarHBondContact O-N 3.23Å; D242-M245 PolarHBondContact O-N 3.44Å; L243-M245 PolarHBondContact O-N 3.34Å; M245-G249 VanDerWaalsContact O-CA 3.28Å; M245-G249 WeakPolarHBondContact O-CA 3.44Å; M245-G249 PolarHBondContact O-N 2.84Å; M245-G249 VanDerWaalsContact O-N 3.12Å; M245-Y374 HydrophobicContact CB-CD1 4.39Å; M245-Y374 HydrophobicContact CB-CD2 3.35Å; M245-Y374 HydrophobicContact CB-CE1 4.44Å; M245-Y374 HydrophobicContact CB-CE2 3.43Å; M245-Y374 VanDerWaalsContact CB-CE2 3.43Å; M245-Y374 HydrophobicContact CB-CG 3.86Å; M245-Y374 HydrophobicContact CE-CG 4.28Å; M245-Y374 HydrophobicContact CG-CD2 3.99Å; M245-Y374 HydrophobicContact CG-CE2 4.38Å; M245-Y380 VanDerWaalsContact O-CD1 3.24Å; M245-Y380 WeakPolarHBondContact O-CD1 3.36Å; M245-Y380 WeakPolarHBondContact O-CE1 3.4Å
246	M	95.4	Very high	90.1	Very high	4 Å²	4	44.3 Å²	44.3	2%	0.02	24%	0.24	C	C	.	.	H	α-helix	trans	-62	-46.3	179.6	-178.9	-174.9	-56.9	0	0	112.2	D242 L243 Y345 I346 I381	D242-M246 WeakPolarHBondContact O-CB 3.25Å; D242-M246 PolarHBondContact O-N 3.13Å; L243-M246 HydrophobicContact CD2-SD 4.37Å; L243-M246 PolarHBondContact O-N 3.37Å; M246-Y345 HydrophobicContact CE-CD1 3.94Å; M246-Y345 HydrophobicContact CE-CE1 4.32Å; M246-Y345 HydrophobicContact CG-CD1 3.99Å; M246-Y345 HydrophobicContact CG-CE1 4.04Å; M246-Y345 HydrophobicContact SD-CD1 3.5Å; M246-Y345 VanDerWaalsContact SD-CD1 3.5Å; M246-Y345 HydrophobicContact SD-CE1 4.11Å; M246-Y345 HydrophobicContact SD-CG 4.46Å; M246-I346 HydrophobicContact CE-CD1 4.18Å; M246-I346 HydrophobicContact CE-CG1 3.76Å; M246-I381 HydrophobicContact CG-CB 4.12Å; M246-I381 HydrophobicContact CG-CG2 4.13Å; M246-I381 WeakPolarHBondContact O-CG2 3.43Å; M246-I381 PolarHBondContact O-N 2.97Å
247	W	96.8	Very high	88.8	Confident	0 Å²	0	46 Å²	46	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-93.2	-42.7	-172.3	-72	101.1	0	0	0	113.3	L243 S261 G262 F263 I266 F267 L338 Y341 S342 I381	L243-W247 WeakPolarHBondContact O-CB 3.27Å; L243-W247 VanDerWaalsContact O-CD1 3.27Å; L243-W247 PolarHBondContact O-N 3.05Å; W247-S261 WeakPolarHBondContact O-CB 3.41Å; W247-G262 CarbonylContact O-C 3.46Å; W247-G262 WeakPolarHBondContact O-CA 3.1Å; W247-G262 PolarHBondContact O-N 3.1Å; W247-F263 PolarHBondContact O-N 3.46Å; W247-I266 HydrophobicContact CE3-CD1 4.34Å; W247-I266 HydrophobicContact CH2-CD1 3.97Å; W247-I266 HydrophobicContact CZ3-CB 4.37Å; W247-I266 HydrophobicContact CZ3-CD1 3.41Å; W247-I266 VanDerWaalsContact CZ3-CD1 3.41Å; W247-I266 HydrophobicContact CZ3-CG1 4.47Å; W247-I266 HydrophobicContact CZ3-CG2 4.48Å; W247-F267 HydrophobicContact CE3-CD2 4.35Å; W247-F267 AromaticContact CE3-CE2 3.82Å; W247-F267 HydrophobicContact CE3-CE2 3.82Å; W247-F267 AromaticContact CH2-CE2 3.93Å; W247-F267 HydrophobicContact CH2-CE2 3.93Å; W247-F267 HydrophobicContact CH2-CZ 4.46Å; W247-F267 HydrophobicContact CZ3-CD2 4.07Å; W247-F267 AromaticContact CZ3-CE2 3.37Å; W247-F267 HydrophobicContact CZ3-CE2 3.37Å; W247-F267 HydrophobicContact CZ3-CZ 4.3Å; W247-L338 HydrophobicContact CD2-CD1 3.69Å; W247-L338 VanDerWaalsContact CE2-CD1 3.48Å; W247-L338 HydrophobicContact CE3-CD1 4.3Å; W247-L338 HydrophobicContact CG-CD1 3.9Å; W247-L338 HydrophobicContact CZ2-CD1 3.95Å; W247-Y341 VanDerWaalsContact CH2-CB 3.49Å; W247-Y341 HydrophobicContact CH2-CD2 4.02Å; W247-Y341 HydrophobicContact CH2-CG 4.22Å; W247-S342 PolarHBondContact NE1-OG 3.2Å; W247-I381 HydrophobicContact CD2-CG2 4Å; W247-I381 HydrophobicContact CE3-CG2 3.82Å; W247-I381 HydrophobicContact CH2-CD1 3.76Å; W247-I381 HydrophobicContact CH2-CG2 4.39Å; W247-I381 HydrophobicContact CZ2-CD1 3.91Å; W247-I381 HydrophobicContact CZ3-CD1 4.32Å; W247-I381 HydrophobicContact CZ3-CG2 4.04Å
248	F	95.3	Very high	87.7	Confident	8 Å²	8	43.5 Å²	43.5	4%	0.035	24%	0.235	C	C	.	.	H	α-helix	trans	-105.7	-10.1	-173.6	-56.4	-69.8	0	0	0	114	L184 Y188 Q206 F209 L210 K244 L250 F263	L184-F248 HydrophobicContact CD1-CE1 3.91Å; L184-F248 HydrophobicContact CD1-CZ 3.81Å; L184-F248 HydrophobicContact CD2-CE1 4.48Å; Y188-F248 WeakPolarHBondContact OH-CD1 3.47Å; Q206-F248 HydrophobicContact CB-CD1 4.39Å; Q206-F248 HydrophobicContact CB-CD2 4Å; Q206-F248 HydrophobicContact CB-CE1 4.48Å; Q206-F248 HydrophobicContact CB-CE2 4.15Å; Q206-F248 HydrophobicContact CB-CG 4.14Å; Q206-F248 HydrophobicContact CB-CZ 4.38Å; Q206-F248 HydrophobicContact CG-CB 4.31Å; Q206-F248 HydrophobicContact CG-CD1 3.69Å; Q206-F248 HydrophobicContact CG-CD2 4.17Å; Q206-F248 HydrophobicContact CG-CE1 3.95Å; Q206-F248 HydrophobicContact CG-CE2 4.44Å; Q206-F248 HydrophobicContact CG-CG 3.79Å; Q206-F248 HydrophobicContact CG-CZ 4.34Å; F209-F248 AromaticContact CD1-CZ 3.91Å; F209-F248 HydrophobicContact CD1-CZ 3.91Å; F209-F248 HydrophobicContact CE1-CZ 4.39Å; L210-F248 HydrophobicContact CD1-CD2 4.26Å; L210-F248 HydrophobicContact CD1-CE2 4Å; L210-F248 HydrophobicContact CD2-CE2 3.99Å; L210-F248 HydrophobicContact CG-CE2 3.88Å; K244-F248 HydrophobicContact CG-CD2 4.27Å; K244-F248 WeakPolarHBondContact O-CA 3.41Å; K244-F248 WeakPolarHBondContact O-CB 3.3Å; K244-F248 PolarHBondContact O-N 2.92Å; F248-L250 PolarHBondContact O-N 3.4Å; F248-F263 HydrophobicContact CD1-CB 3.64Å; F248-F263 HydrophobicContact CD1-CD1 4.49Å; F248-F263 HydrophobicContact CD1-CD2 4.42Å; F248-F263 AromaticContact CD1-CG 3.95Å; F248-F263 HydrophobicContact CD1-CG 3.95Å; F248-F263 HydrophobicContact CE1-CB 3.5Å; F248-F263 VanDerWaalsContact CE1-CB 3.5Å; F248-F263 AromaticContact CE1-CD1 3.91Å; F248-F263 HydrophobicContact CE1-CD1 3.91Å; F248-F263 AromaticContact CE1-CD2 3.43Å; F248-F263 HydrophobicContact CE1-CD2 3.43Å; F248-F263 VanDerWaalsContact CE1-CD2 3.43Å; F248-F263 HydrophobicContact CE1-CE2 4.09Å; F248-F263 AromaticContact CE1-CG 3.31Å; F248-F263 HydrophobicContact CE1-CG 3.31Å; F248-F263 HydrophobicContact CZ-CB 4.35Å; F248-F263 AromaticContact CZ-CD2 3.75Å; F248-F263 HydrophobicContact CZ-CD2 3.75Å; F248-F263 HydrophobicContact CZ-CE2 4.28Å; F248-F263 HydrophobicContact CZ-CG 4.11Å
249	G	92.5	Very high	86.7	Confident	9 Å²	9	40.3 Å²	40.3	9%	0.093	22%	0.221	C	C	.	.			trans	-62.2	121.6	175.1	0	0	0	0	0	110.8	K244 M245 Y251 Y380	K244-G249 PolarHBondContact O-N 3.31Å; M245-G249 VanDerWaalsContact O-CA 3.28Å; M245-G249 WeakPolarHBondContact O-CA 3.44Å; M245-G249 PolarHBondContact O-N 2.84Å; M245-G249 VanDerWaalsContact O-N 3.12Å; G249-Y251 WeakPolarHBondContact O-CD1 3.41Å; G249-Y380 WeakPolarHBondContact O-CD1 3.48Å
250	L	89.3	Confident	86.1	Confident	34 Å²	34	40.3 Å²	40.3	18%	0.178	22%	0.221	C	C	.	.			trans	-68.1	146.2	-178.4	-67	176.7	0	0	0	111.3	E196 F198 F248 M258 S260	E196-L250 HydrophobicContact CB-CD1 4.15Å; E196-L250 HydrophobicContact CB-CD2 4.13Å; E196-L250 WeakPolarHBondContact OE2-CD2 3.05Å; F198-L250 HydrophobicContact CD2-CD1 4.4Å; F198-L250 HydrophobicContact CE2-CD1 4.05Å; F198-L250 HydrophobicContact CE2-CD2 3.75Å; F198-L250 HydrophobicContact CE2-CG 4.02Å; F198-L250 HydrophobicContact CZ-CD2 4.26Å; F248-L250 PolarHBondContact O-N 3.4Å; L250-M258 VanDerWaalsContact C-CE 3.43Å; L250-M258 HydrophobicContact CB-CB 4.06Å; L250-M258 HydrophobicContact CB-CE 3.82Å; L250-M258 HydrophobicContact CD1-CB 4.29Å; L250-M258 WeakPolarHBondContact O-CE 3.27Å; L250-S260 CarbonylContact C-O 3Å; L250-S260 WeakPolarHBondContact CA-O 3.42Å
251	Y	85.9	Confident	85.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-149.1	158.8	169.3	55.6	-93.6	0	0	0	110.9	G249 R253 S260 S261 W369 Y380 I381	G249-Y251 WeakPolarHBondContact O-CD1 3.41Å; Y251-R253 HydrophobicContact CD2-CG 4.1Å; Y251-R253 HydrophobicContact CE2-CG 3.77Å; Y251-R253 VanDerWaalsContact CE2-NE 3.3Å; Y251-R253 PolarHBondContact O-N 3.46Å; Y251-R253 PolarHBondContact OH-NH2 3.03Å; Y251-S260 PolarHBondContact N-O 2.93Å; Y251-S260 PolarHBondContact O-N 3.45Å; Y251-S261 PolarHBondContact OH-O 3.07Å; Y251-W369 HydrophobicContact CD1-CG 4.46Å; Y251-W369 HydrophobicContact CD2-CB 4.3Å; Y251-W369 AromaticContact CD2-CD1 3.67Å; Y251-W369 AromaticContact CD2-CD2 3.37Å; Y251-W369 HydrophobicContact CD2-CD2 3.37Å; Y251-W369 AromaticContact CD2-CE2 3.47Å; Y251-W369 VanDerWaalsContact CD2-CE2 3.47Å; Y251-W369 AromaticContact CD2-CE3 3.91Å; Y251-W369 HydrophobicContact CD2-CE3 3.91Å; Y251-W369 AromaticContact CD2-CG 3.53Å; Y251-W369 HydrophobicContact CD2-CG 3.53Å; Y251-W369 HydrophobicContact CD2-CZ2 4.09Å; Y251-W369 HydrophobicContact CD2-CZ3 4.45Å; Y251-W369 AromaticContact CD2-NE1 3.64Å; Y251-W369 HydrophobicContact CE2-CB 4.2Å; Y251-W369 AromaticContact CE2-CD2 3.66Å; Y251-W369 HydrophobicContact CE2-CD2 3.66Å; Y251-W369 AromaticContact CE2-CE3 3.8Å; Y251-W369 HydrophobicContact CE2-CE3 3.8Å; Y251-W369 AromaticContact CE2-CG 3.83Å; Y251-W369 HydrophobicContact CE2-CG 3.83Å; Y251-W369 HydrophobicContact CE2-CZ3 4.44Å; Y251-W369 AromaticContact CG-CD1 3.65Å; Y251-W369 HydrophobicContact CG-CD2 4.16Å; Y251-W369 AromaticContact CG-CG 3.88Å; Y251-W369 HydrophobicContact CG-CG 3.88Å; Y251-W369 AromaticContact CG-NE1 3.8Å; Y251-Y380 HydrophobicContact CD1-CD1 4.14Å; Y251-Y380 HydrophobicContact CD1-CD2 4.19Å; Y251-Y380 AromaticContact CD1-CG 3.76Å; Y251-Y380 HydrophobicContact CD1-CG 3.76Å; Y251-Y380 HydrophobicContact CE1-CG 4.39Å; Y251-I381 PolarHBondContact OH-O 2.86Å
252	S	81.9	Confident	85.6	Confident	30 Å²	30	33 Å²	33	21%	0.21	19%	0.186	C	C	.	.			trans	-90.4	106.8	-172.2	158.4	0	0	0	0	113.9	G256 K257 W369	S252-G256 WeakPolarHBondContact OG-CA 3.36Å; S252-G256 PolarHBondContact OG-N 2.68Å; S252-K257 WeakPolarHBondContact CA-O 3.09Å; S252-K257 WeakPolarHBondContact CB-O 3.23Å; S252-K257 PolarHBondContact OG-N 3.13Å; S252-K257 PolarHBondContact OG-O 3.42Å; S252-W369 WeakPolarHBondContact O-CH2 3.45Å; S252-W369 WeakPolarHBondContact O-CZ2 3.45Å
253	R	73.7	Confident	85.6	Confident	34 Å²	34	32.4 Å²	32.4	13%	0.128	18%	0.183	C	C	.	.	S	Bend	trans	-86.5	-24	172.4	-75.4	-171.5	-175.7	-109.4	-19.7	114	Y251 D259 S260 H265 E270 K272 W369 G382	Y251-R253 HydrophobicContact CD2-CG 4.1Å; Y251-R253 HydrophobicContact CE2-CG 3.77Å; Y251-R253 VanDerWaalsContact CE2-NE 3.3Å; Y251-R253 PolarHBondContact O-N 3.46Å; Y251-R253 PolarHBondContact OH-NH2 3.03Å; R253-D259 PolarHBondContact N-OD1 3.47Å; R253-S260 WeakPolarHBondContact CD-OG 3.33Å; R253-S260 PolarHBondContact NE-OG 2.8Å; R253-H265 PolarHBondContact NH1-CE1 3.16Å; R253-H265 VanDerWaalsContact NH1-CE1 3.32Å; R253-H265 PolarHBondContact NH1-ND1 2.97Å; R253-E270 VanDerWaalsContact CD-OE1 3.27Å; R253-E270 WeakPolarHBondContact CD-OE1 3.35Å; R253-E270 WeakPolarHBondContact CD-OE2 3.47Å; R253-E270 IonicContact NE-OE1 3.83Å; R253-E270 IonicContact NE-OE2 3.87Å; R253-E270 IonicContact NH1-OE2 2.79Å; R253-K272 PolarHBondContact O-NZ 2.83Å; R253-W369 HydrophobicContact CG-CE3 4.48Å; R253-W369 HydrophobicContact CG-CH2 4.04Å; R253-W369 HydrophobicContact CG-CZ3 3.87Å; R253-G382 PolarHBondContact NH2-O 2.81Å
254	Y	70.1	Confident	85.3	Confident	143 Å²	143	32.5 Å²	32.5	56%	0.561	18%	0.183	S	C	*	.	B	Isolated β-bridge	trans	-138.6	133.5	179.9	-172.9	-101.6	0	0	0	112.5	G256 K257 D259	Y254-G256 PolarHBondContact O-N 3.31Å; Y254-K257 PolarHBondContact O-N 2.95Å; Y254-K257 VanDerWaalsContact O-N 3.13Å; Y254-D259 PolarHBondContact N-OD2 2.9Å
255	A	65.7	Low	85.1	Confident	81 Å²	81	30.7 Å²	30.7	67%	0.669	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	52	24.2	170.5	0	0	0	0	0	117.4	K257	A255-K257 VanDerWaalsContact C-N 3.27Å; A255-K257 PolarHBondContact O-N 2.89Å
256	G	70.8	Confident	85.1	Confident	66 Å²	66	28.2 Å²	28.2	68%	0.68	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.4	4.9	178.3	0	0	0	0	0	114.5	S252 Y254	S252-G256 WeakPolarHBondContact OG-CA 3.36Å; S252-G256 PolarHBondContact OG-N 2.68Å; Y254-G256 PolarHBondContact O-N 3.31Å
257	K	70.6	Confident	85.2	Confident	90 Å²	90	28 Å²	28	39%	0.391	16%	0.162	S	C	.	.	B	Isolated β-bridge	trans	-85.7	134.9	-180	-71	-180	167.4	-179.5	0	110.1	G193 S252 Y254 A255 D259	G193-K257 WeakPolarHBondContact O-CD 3.36Å; G193-K257 WeakPolarHBondContact O-CE 3.49Å; G193-K257 PolarHBondContact O-NZ 3.05Å; S252-K257 WeakPolarHBondContact CA-O 3.09Å; S252-K257 WeakPolarHBondContact CB-O 3.23Å; S252-K257 PolarHBondContact OG-N 3.13Å; S252-K257 PolarHBondContact OG-O 3.42Å; Y254-K257 PolarHBondContact O-N 2.95Å; Y254-K257 VanDerWaalsContact O-N 3.13Å; A255-K257 VanDerWaalsContact C-N 3.27Å; A255-K257 PolarHBondContact O-N 2.89Å; K257-D259 VanDerWaalsContact C-N 3.27Å; K257-D259 HydrophobicContact CB-CB 4.08Å; K257-D259 WeakPolarHBondContact O-CB 3.48Å; K257-D259 VanDerWaalsContact O-CG 3.29Å; K257-D259 PolarHBondContact O-N 3.02Å
258	M	73.8	Confident	85	Confident	83 Å²	83	28.3 Å²	28.3	41%	0.409	16%	0.164	S	C	.	.			trans	-72.6	87	172.2	-61.3	-62.5	-82.9	0	0	108.3	E196 L250	E196-M258 PolarHBondContact N-O 2.67Å; L250-M258 VanDerWaalsContact C-CE 3.43Å; L250-M258 HydrophobicContact CB-CB 4.06Å; L250-M258 HydrophobicContact CB-CE 3.82Å; L250-M258 HydrophobicContact CD1-CB 4.29Å; L250-M258 WeakPolarHBondContact O-CE 3.27Å
259	D	77.3	Confident	84.9	Confident	2 Å²	2	28 Å²	28	1%	0.011	16%	0.164	C	C	.	.			trans	-131.1	11.1	-160.1	71.6	-26.4	0	0	0	113	G193 T194 R253 Y254 K257	G193-D259 WeakPolarHBondContact CA-OD2 3.09Å; G193-D259 PolarHBondContact N-OD2 3.23Å; T194-D259 WeakPolarHBondContact O-CA 3.34Å; T194-D259 WeakPolarHBondContact O-CB 3.24Å; R253-D259 PolarHBondContact N-OD1 3.47Å; Y254-D259 PolarHBondContact N-OD2 2.9Å; K257-D259 VanDerWaalsContact C-N 3.27Å; K257-D259 HydrophobicContact CB-CB 4.08Å; K257-D259 WeakPolarHBondContact O-CB 3.48Å; K257-D259 VanDerWaalsContact O-CG 3.29Å; K257-D259 PolarHBondContact O-N 3.02Å
260	S	84.2	Confident	84.8	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-155.3	145.7	-174.7	-169.1	0	0	0	0	111.6	L250 Y251 R253 E264 E270	L250-S260 CarbonylContact C-O 3Å; L250-S260 WeakPolarHBondContact CA-O 3.42Å; Y251-S260 PolarHBondContact N-O 2.93Å; Y251-S260 PolarHBondContact O-N 3.45Å; R253-S260 WeakPolarHBondContact CD-OG 3.33Å; R253-S260 PolarHBondContact NE-OG 2.8Å; S260-E264 WeakPolarHBondContact CA-OE2 3.11Å; S260-E270 WeakPolarHBondContact CB-OE1 3.4Å; S260-E270 PolarHBondContact OG-OE1 3.24Å
261	S	92.6	Very high	84.7	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	15%	0.152	C	C	.	.			trans	-129.9	167.2	167	68.4	0	0	0	0	111.7	W247 Y251 F263 E264 H265	W247-S261 WeakPolarHBondContact O-CB 3.41Å; Y251-S261 PolarHBondContact OH-O 3.07Å; S261-F263 VanDerWaalsContact C-N 3.29Å; S261-E264 PolarHBondContact N-OE2 3Å; S261-E264 VanDerWaalsContact OG-CB 3.29Å; S261-E264 WeakPolarHBondContact OG-CB 3.25Å; S261-E264 PolarHBondContact OG-N 2.82Å; S261-E264 VanDerWaalsContact OG-N 3.09Å; S261-H265 WeakPolarHBondContact O-CB 3.37Å; S261-H265 PolarHBondContact O-N 2.73Å; S261-H265 VanDerWaalsContact O-N 3.11Å
262	G	94.1	Very high	84.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-40.8	173.1	0	0	0	0	0	111.5	W247 I266 I381	W247-G262 CarbonylContact O-C 3.46Å; W247-G262 WeakPolarHBondContact O-CA 3.1Å; W247-G262 PolarHBondContact O-N 3.1Å; G262-I266 WeakPolarHBondContact O-CB 3.31Å; G262-I266 WeakPolarHBondContact O-CD1 3.11Å; G262-I266 WeakPolarHBondContact O-CG1 3.42Å; G262-I266 PolarHBondContact O-N 2.78Å; G262-I266 VanDerWaalsContact O-N 3.1Å; G262-I381 WeakPolarHBondContact CA-O 3.42Å
263	F	95.9	Very high	84.8	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-61.4	-52	178	-178.3	-89.3	0	0	0	111.4	F181 L184 L185 Y188 F209 W247 F248 S261 H265 I266 F267 A268	F181-F263 AromaticContact CD2-CE2 3.89Å; F181-F263 HydrophobicContact CD2-CE2 3.89Å; F181-F263 AromaticContact CD2-CZ 3.96Å; F181-F263 HydrophobicContact CD2-CZ 3.96Å; F181-F263 AromaticContact CE2-CE2 3.62Å; F181-F263 HydrophobicContact CE2-CE2 3.62Å; F181-F263 AromaticContact CE2-CZ 3.68Å; F181-F263 HydrophobicContact CE2-CZ 3.68Å; F181-F263 HydrophobicContact CZ-CZ 4.47Å; L184-F263 HydrophobicContact CB-CE1 3.75Å; L184-F263 HydrophobicContact CB-CE2 4.49Å; L184-F263 HydrophobicContact CB-CZ 3.57Å; L184-F263 HydrophobicContact CD1-CD2 4.44Å; L184-F263 HydrophobicContact CD1-CE1 4.29Å; L184-F263 HydrophobicContact CD1-CE2 3.71Å; L184-F263 HydrophobicContact CD1-CZ 3.63Å; L184-F263 HydrophobicContact CG-CZ 4.27Å; L185-F263 HydrophobicContact CD2-CE1 4.33Å; L185-F263 HydrophobicContact CD2-CZ 4.37Å; Y188-F263 HydrophobicContact CD2-CD1 4.14Å; Y188-F263 HydrophobicContact CD2-CE1 4.07Å; Y188-F263 HydrophobicContact CE1-CD1 4.35Å; Y188-F263 AromaticContact CE2-CD1 3.43Å; Y188-F263 HydrophobicContact CE2-CD1 3.43Å; Y188-F263 VanDerWaalsContact CE2-CD1 3.43Å; Y188-F263 AromaticContact CE2-CE1 3.49Å; Y188-F263 HydrophobicContact CE2-CE1 3.49Å; Y188-F263 VanDerWaalsContact CE2-CE1 3.49Å; Y188-F263 AromaticContact CZ-CD1 3.58Å; F209-F263 HydrophobicContact CE1-CE2 4.11Å; W247-F263 PolarHBondContact O-N 3.46Å; F248-F263 HydrophobicContact CD1-CB 3.64Å; F248-F263 HydrophobicContact CD1-CD1 4.49Å; F248-F263 HydrophobicContact CD1-CD2 4.42Å; F248-F263 AromaticContact CD1-CG 3.95Å; F248-F263 HydrophobicContact CD1-CG 3.95Å; F248-F263 HydrophobicContact CE1-CB 3.5Å; F248-F263 VanDerWaalsContact CE1-CB 3.5Å; F248-F263 AromaticContact CE1-CD1 3.91Å; F248-F263 HydrophobicContact CE1-CD1 3.91Å; F248-F263 AromaticContact CE1-CD2 3.43Å; F248-F263 HydrophobicContact CE1-CD2 3.43Å; F248-F263 VanDerWaalsContact CE1-CD2 3.43Å; F248-F263 HydrophobicContact CE1-CE2 4.09Å; F248-F263 AromaticContact CE1-CG 3.31Å; F248-F263 HydrophobicContact CE1-CG 3.31Å; F248-F263 HydrophobicContact CZ-CB 4.35Å; F248-F263 AromaticContact CZ-CD2 3.75Å; F248-F263 HydrophobicContact CZ-CD2 3.75Å; F248-F263 HydrophobicContact CZ-CE2 4.28Å; F248-F263 HydrophobicContact CZ-CG 4.11Å; S261-F263 VanDerWaalsContact C-N 3.29Å; F263-H265 PolarHBondContact O-N 3.24Å; F263-I266 PolarHBondContact O-N 3.44Å; F263-F267 HydrophobicContact CD1-CB 4.47Å; F263-F267 HydrophobicContact CD2-CB 4.17Å; F263-F267 AromaticContact CD2-CD2 3.59Å; F263-F267 HydrophobicContact CD2-CD2 3.59Å; F263-F267 HydrophobicContact CD2-CE2 4.27Å; F263-F267 HydrophobicContact CD2-CG 4.12Å; F263-F267 HydrophobicContact CE1-CB 4.28Å; F263-F267 HydrophobicContact CE2-CB 3.98Å; F263-F267 AromaticContact CE2-CD2 3.95Å; F263-F267 HydrophobicContact CE2-CD2 3.95Å; F263-F267 HydrophobicContact CE2-CG 4.05Å; F263-F267 HydrophobicContact CG-CB 4.42Å; F263-F267 HydrophobicContact CG-CD2 4.19Å; F263-F267 HydrophobicContact CZ-CB 4.03Å; F263-F267 WeakPolarHBondContact O-CA 3.43Å; F263-F267 VanDerWaalsContact O-CB 3.28Å; F263-F267 WeakPolarHBondContact O-CB 3.32Å; F263-F267 PolarHBondContact O-N 3.48Å; F263-A268 PolarHBondContact O-N 3.45Å
264	E	92.4	Very high	85.4	Confident	1 Å²	1	32.1 Å²	32.1	1%	0.005	21%	0.208	C	C	.	.	I	π-helix	trans	-56.6	-52.7	178.9	-177.9	-168	163.8	0	0	111.4	Y188 S260 S261 I266 A268 G269	Y188-E264 HydrophobicContact CD1-CB 3.7Å; Y188-E264 HydrophobicContact CD1-CG 3.93Å; Y188-E264 HydrophobicContact CE1-CB 4.13Å; Y188-E264 HydrophobicContact CG-CB 4.26Å; Y188-E264 HydrophobicContact CG-CG 4.24Å; S260-E264 WeakPolarHBondContact CA-OE2 3.11Å; S261-E264 PolarHBondContact N-OE2 3Å; S261-E264 VanDerWaalsContact OG-CB 3.29Å; S261-E264 WeakPolarHBondContact OG-CB 3.25Å; S261-E264 PolarHBondContact OG-N 2.82Å; S261-E264 VanDerWaalsContact OG-N 3.09Å; E264-I266 VanDerWaalsContact C-N 3.31Å; E264-I266 PolarHBondContact O-N 2.8Å; E264-A268 HydrophobicContact CG-CB 4.42Å; E264-A268 PolarHBondContact O-N 2.96Å; E264-A268 VanDerWaalsContact O-N 3.15Å; E264-G269 PolarHBondContact O-N 3.14Å
265	H	93.6	Very high	86.3	Confident	7 Å²	7	32.6 Å²	32.6	3%	0.032	21%	0.213	C	C	.	.	I	π-helix	trans	-61.3	-37.8	-176.1	-178.1	80.3	0	0	0	113	R253 S261 F263 E270 S277 G278 G382 S383	R253-H265 PolarHBondContact NH1-CE1 3.16Å; R253-H265 VanDerWaalsContact NH1-CE1 3.32Å; R253-H265 PolarHBondContact NH1-ND1 2.97Å; S261-H265 WeakPolarHBondContact O-CB 3.37Å; S261-H265 PolarHBondContact O-N 2.73Å; S261-H265 VanDerWaalsContact O-N 3.11Å; F263-H265 PolarHBondContact O-N 3.24Å; H265-E270 IonicContact CE1-OE2 3.36Å; H265-E270 IonicContact ND1-OE2 2.73Å; H265-E270 PolarHBondContact ND1-OE2 3.02Å; H265-S277 VanDerWaalsContact CE1-C 3.42Å; H265-S277 PolarHBondContact CE1-O 3.32Å; H265-S277 VanDerWaalsContact CE1-O 3.28Å; H265-G278 CarbonylContact O-C 3.54Å; H265-G278 WeakPolarHBondContact O-CA 3.44Å; H265-G382 PolarHBondContact CD2-O 2.86Å; H265-S383 PolarHBondContact CD2-OG 3.42Å; H265-S383 WeakPolarHBondContact NE2-CB 3.49Å; H265-S383 PolarHBondContact NE2-OG 3.28Å; H265-S383 VanDerWaalsContact NE2-OG 3.16Å
266	I	95.6	Very high	87.5	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.184	C	C	.	.	I	π-helix	trans	-91.5	-47.2	-173.3	-63.7	160.9	0	0	0	111.2	W247 G262 F263 E264 H280 Y341 I381 A384	W247-I266 HydrophobicContact CE3-CD1 4.34Å; W247-I266 HydrophobicContact CH2-CD1 3.97Å; W247-I266 HydrophobicContact CZ3-CB 4.37Å; W247-I266 HydrophobicContact CZ3-CD1 3.41Å; W247-I266 VanDerWaalsContact CZ3-CD1 3.41Å; W247-I266 HydrophobicContact CZ3-CG1 4.47Å; W247-I266 HydrophobicContact CZ3-CG2 4.48Å; G262-I266 WeakPolarHBondContact O-CB 3.31Å; G262-I266 WeakPolarHBondContact O-CD1 3.11Å; G262-I266 WeakPolarHBondContact O-CG1 3.42Å; G262-I266 PolarHBondContact O-N 2.78Å; G262-I266 VanDerWaalsContact O-N 3.1Å; F263-I266 PolarHBondContact O-N 3.44Å; E264-I266 VanDerWaalsContact C-N 3.31Å; E264-I266 PolarHBondContact O-N 2.8Å; I266-H280 HydrophobicContact CG2-CB 4.38Å; I266-H280 PolarHBondContact O-N 3.29Å; I266-Y341 HydrophobicContact CG2-CD2 4.28Å; I266-Y341 HydrophobicContact CG2-CE2 4.17Å; I266-I381 HydrophobicContact CD1-CD1 4.24Å; I266-I381 HydrophobicContact CD1-CG1 4.34Å; I266-I381 HydrophobicContact CD1-CG2 4.33Å; I266-A384 HydrophobicContact CD1-CB 3.76Å; I266-A384 VanDerWaalsContact CD1-N 3.28Å; I266-A384 HydrophobicContact CG1-CB 4.48Å; I266-A384 WeakPolarHBondContact CG2-O 3.42Å
267	F	96.4	Very high	88.4	Confident	0 Å²	0	28 Å²	28	0%	0	16%	0.164	C	C	.	.	I	π-helix	trans	-97.8	-49.4	-170.4	-66.5	-79.2	0	0	0	113.9	F181 W247 F263 N281 Q284 D337 L338 Y341	F181-F267 HydrophobicContact CE2-CB 3.94Å; F181-F267 AromaticContact CE2-CD1 3.56Å; F181-F267 HydrophobicContact CE2-CD1 3.56Å; F181-F267 HydrophobicContact CE2-CE1 4.22Å; F181-F267 AromaticContact CE2-CG 3.86Å; F181-F267 HydrophobicContact CE2-CG 3.86Å; F181-F267 HydrophobicContact CZ-CB 3.97Å; F181-F267 AromaticContact CZ-CD1 3.71Å; F181-F267 HydrophobicContact CZ-CD1 3.71Å; F181-F267 HydrophobicContact CZ-CG 4.18Å; W247-F267 HydrophobicContact CE3-CD2 4.35Å; W247-F267 AromaticContact CE3-CE2 3.82Å; W247-F267 HydrophobicContact CE3-CE2 3.82Å; W247-F267 AromaticContact CH2-CE2 3.93Å; W247-F267 HydrophobicContact CH2-CE2 3.93Å; W247-F267 HydrophobicContact CH2-CZ 4.46Å; W247-F267 HydrophobicContact CZ3-CD2 4.07Å; W247-F267 AromaticContact CZ3-CE2 3.37Å; W247-F267 HydrophobicContact CZ3-CE2 3.37Å; W247-F267 HydrophobicContact CZ3-CZ 4.3Å; F263-F267 HydrophobicContact CD1-CB 4.47Å; F263-F267 HydrophobicContact CD2-CB 4.17Å; F263-F267 AromaticContact CD2-CD2 3.59Å; F263-F267 HydrophobicContact CD2-CD2 3.59Å; F263-F267 HydrophobicContact CD2-CE2 4.27Å; F263-F267 HydrophobicContact CD2-CG 4.12Å; F263-F267 HydrophobicContact CE1-CB 4.28Å; F263-F267 HydrophobicContact CE2-CB 3.98Å; F263-F267 AromaticContact CE2-CD2 3.95Å; F263-F267 HydrophobicContact CE2-CD2 3.95Å; F263-F267 HydrophobicContact CE2-CG 4.05Å; F263-F267 HydrophobicContact CG-CB 4.42Å; F263-F267 HydrophobicContact CG-CD2 4.19Å; F263-F267 HydrophobicContact CZ-CB 4.03Å; F263-F267 WeakPolarHBondContact O-CA 3.43Å; F263-F267 VanDerWaalsContact O-CB 3.28Å; F263-F267 WeakPolarHBondContact O-CB 3.32Å; F263-F267 PolarHBondContact O-N 3.48Å; F267-N281 HydrophobicContact CB-CB 4.38Å; F267-N281 HydrophobicContact CD1-CB 3.75Å; F267-N281 HydrophobicContact CG-CB 4.49Å; F267-Q284 VanDerWaalsContact O-CB 3.31Å; F267-Q284 WeakPolarHBondContact O-CB 3.39Å; F267-Q284 WeakPolarHBondContact O-CG 3.22Å; F267-D337 HydrophobicContact CE1-CB 3.7Å; F267-D337 HydrophobicContact CZ-CB 4.07Å; F267-L338 HydrophobicContact CE2-CD1 4.32Å; F267-Y341 HydrophobicContact CE1-CE2 4.48Å; F267-Y341 HydrophobicContact CZ-CD2 4.04Å; F267-Y341 HydrophobicContact CZ-CE2 4.28Å
268	A	93.9	Very high	89.4	Confident	6 Å²	6	23.8 Å²	23.8	5%	0.05	15%	0.146	C	C	.	.	I	π-helix	trans	-75.7	-34.4	-177.8	0	0	0	0	0	112.4	L185 Y188 F263 E264 Q284	L185-A268 HydrophobicContact CD2-CB 4.13Å; Y188-A268 HydrophobicContact CD2-CB 4.31Å; Y188-A268 HydrophobicContact CG-CB 4.36Å; F263-A268 PolarHBondContact O-N 3.45Å; E264-A268 HydrophobicContact CG-CB 4.42Å; E264-A268 PolarHBondContact O-N 2.96Å; E264-A268 VanDerWaalsContact O-N 3.15Å; A268-Q284 WeakPolarHBondContact O-CG 3.11Å; A268-Q284 PolarHBondContact O-NE2 3.47Å; A268-Q284 VanDerWaalsContact O-NE2 3.13Å
269	G	91.8	Very high	90.5	Very high	2 Å²	2	19.9 Å²	19.9	2%	0.021	13%	0.126	C	C	.	.			trans	95.3	143.4	-173.2	0	0	0	0	0	111.8	E264 G278 W318	E264-G269 PolarHBondContact O-N 3.14Å; G269-G278 CarbonylContact C-O 3.53Å; G269-G278 VanDerWaalsContact CA-O 3.22Å; G269-G278 WeakPolarHBondContact CA-O 3.35Å; G269-W318 VanDerWaalsContact C-CH2 3.49Å
270	E	90.4	Very high	91.4	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	136.1	-176.2	-175.9	-170.4	-107.4	0	0	110.6	T192 R253 S260 H265 I276 S277 G278	T192-E270 HydrophobicContact CG2-CG 3.33Å; T192-E270 VanDerWaalsContact CG2-OE1 3.25Å; T192-E270 WeakPolarHBondContact CG2-OE1 3.44Å; R253-E270 VanDerWaalsContact CD-OE1 3.27Å; R253-E270 WeakPolarHBondContact CD-OE1 3.35Å; R253-E270 WeakPolarHBondContact CD-OE2 3.47Å; R253-E270 IonicContact NE-OE1 3.83Å; R253-E270 IonicContact NE-OE2 3.87Å; R253-E270 IonicContact NH1-OE2 2.79Å; S260-E270 WeakPolarHBondContact CB-OE1 3.4Å; S260-E270 PolarHBondContact OG-OE1 3.24Å; H265-E270 IonicContact CE1-OE2 3.36Å; H265-E270 IonicContact ND1-OE2 2.73Å; H265-E270 PolarHBondContact ND1-OE2 3.02Å; E270-I276 CarbonylContact O-C 3.6Å; E270-S277 WeakPolarHBondContact CG-OG 3.47Å; E270-S277 PolarHBondContact O-N 3.33Å; E270-S277 PolarHBondContact O-OG 3.04Å; E270-S277 PolarHBondContact OE2-OG 2.85Å; E270-G278 PolarHBondContact N-O 3.49Å; E270-G278 PolarHBondContact O-N 3.21Å
271	I	87.9	Confident	92.1	Very high	4 Å²	4	20.2 Å²	20.2	2%	0.021	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	126	171.6	-63.5	163	0	0	0	109.3	R190 T192 K275 I276 W318 D319 Y321	R190-I271 PolarHBondContact O-N 2.96Å; T192-I271 PolarHBondContact N-O 3.09Å; T192-I271 PolarHBondContact OG1-O 3.37Å; I271-K275 CarbonylContact C-O 3.57Å; I271-K275 WeakPolarHBondContact CA-O 3.44Å; I271-I276 HydrophobicContact CG1-CG1 4.41Å; I271-W318 HydrophobicContact CD1-CE3 4.27Å; I271-W318 HydrophobicContact CD1-CH2 4.39Å; I271-W318 HydrophobicContact CD1-CZ3 4.17Å; I271-W318 HydrophobicContact CG1-CE3 4.13Å; I271-W318 HydrophobicContact CG1-CH2 4.32Å; I271-W318 HydrophobicContact CG1-CZ3 3.8Å; I271-D319 HydrophobicContact CD1-CB 4.12Å; I271-Y321 HydrophobicContact CD1-CD2 3.72Å; I271-Y321 HydrophobicContact CD1-CE2 4.05Å; I271-Y321 HydrophobicContact CG1-CD2 4.23Å; I271-Y321 HydrophobicContact CG2-CD2 3.91Å; I271-Y321 HydrophobicContact CG2-CE2 3.82Å
272	K	85.5	Confident	92.3	Very high	75 Å²	75	20.3 Å²	20.3	33%	0.326	13%	0.128	S	C	.	.			trans	-131.7	119	178.2	-173.7	178	-173.9	168.9	0	111.1	T192 R253 G274 K275	T192-K272 HydrophobicContact CG2-CB 4.44Å; R253-K272 PolarHBondContact O-NZ 2.83Å; K272-G274 VanDerWaalsContact C-N 3.28Å; K272-G274 PolarHBondContact O-N 2.7Å; K272-K275 PolarHBondContact N-O 2.84Å; K272-K275 PolarHBondContact O-N 3.23Å
273	G	84	Confident	92.5	Very high	81 Å²	81	20.4 Å²	20.4	84%	0.835	13%	0.129	S	C	*	.	S	Bend	trans	60.2	37.4	177.1	0	0	0	0	0	113.2	K275	G273-K275 VanDerWaalsContact C-N 3.34Å
274	G	86.3	Confident	92.6	Very high	34 Å²	34	21.1 Å²	21.1	35%	0.351	13%	0.132	S	C	.	.	S	Bend	trans	69.3	29.1	-178.4	0	0	0	0	0	114.1	K272 Y321	K272-G274 VanDerWaalsContact C-N 3.28Å; K272-G274 PolarHBondContact O-N 2.7Å; G274-Y321 WeakPolarHBondContact O-CD1 3.42Å; G274-Y321 WeakPolarHBondContact O-CE1 3.44Å
275	K	89.4	Confident	92.8	Very high	153 Å²	153	21 Å²	21	67%	0.665	13%	0.132	S	C	*	.	S	Bend	trans	-138.3	145	173.4	-64.5	-174.6	179.8	-175.9	0	109.3	I271 K272 G273 S277	I271-K275 CarbonylContact C-O 3.57Å; I271-K275 WeakPolarHBondContact CA-O 3.44Å; K272-K275 PolarHBondContact N-O 2.84Å; K272-K275 PolarHBondContact O-N 3.23Å; G273-K275 VanDerWaalsContact C-N 3.34Å; K275-S277 PolarHBondContact O-N 3.39Å
276	I	92.1	Very high	93.1	Very high	12 Å²	12	21.5 Å²	21.5	6%	0.062	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	99	173.9	-56.8	164.5	0	0	0	107.9	E270 I271 F279 F316 W318 Y321 K323	E270-I276 CarbonylContact O-C 3.6Å; I271-I276 HydrophobicContact CG1-CG1 4.41Å; I276-F279 HydrophobicContact CG2-CB 3.74Å; I276-F316 HydrophobicContact CD1-CE2 4.26Å; I276-W318 HydrophobicContact CB-CE3 4.49Å; I276-W318 HydrophobicContact CD1-CB 3.67Å; I276-W318 HydrophobicContact CD1-CE3 4.14Å; I276-W318 HydrophobicContact CG1-CE3 3.89Å; I276-W318 HydrophobicContact CG2-CE3 3.84Å; I276-W318 HydrophobicContact CG2-CZ3 4.1Å; I276-Y321 WeakPolarHBondContact CD1-O 2.92Å; I276-K323 HydrophobicContact CB-CB 4.27Å; I276-K323 HydrophobicContact CB-CD 4.41Å; I276-K323 HydrophobicContact CB-CG 4.35Å; I276-K323 HydrophobicContact CD1-CB 3.8Å; I276-K323 HydrophobicContact CG2-CD 3.93Å; I276-K323 HydrophobicContact CG2-CG 4.41Å; I276-K323 PolarHBondContact O-NZ 2.83Å
277	S	89.2	Confident	93.1	Very high	39 Å²	39	23.9 Å²	23.9	27%	0.273	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-36.9	-176.4	48.9	0	0	0	0	111.7	H265 E270 K275	H265-S277 VanDerWaalsContact CE1-C 3.42Å; H265-S277 PolarHBondContact CE1-O 3.32Å; H265-S277 VanDerWaalsContact CE1-O 3.28Å; E270-S277 WeakPolarHBondContact CG-OG 3.47Å; E270-S277 PolarHBondContact O-N 3.33Å; E270-S277 PolarHBondContact O-OG 3.04Å; E270-S277 PolarHBondContact OE2-OG 2.85Å; K275-S277 PolarHBondContact O-N 3.39Å
278	G	91.7	Very high	93.1	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	138	178.2	0	0	0	0	0	110	H265 G269 E270	H265-G278 CarbonylContact O-C 3.54Å; H265-G278 WeakPolarHBondContact O-CA 3.44Å; G269-G278 CarbonylContact C-O 3.53Å; G269-G278 VanDerWaalsContact CA-O 3.22Å; G269-G278 WeakPolarHBondContact CA-O 3.35Å; E270-G278 PolarHBondContact N-O 3.49Å; E270-G278 PolarHBondContact O-N 3.21Å
279	F	96.3	Very high	93.3	Very high	1 Å²	1	25 Å²	25	0%	0.004	15%	0.147	C	C	.	.			trans	-176.9	99.8	174.7	-164.4	-67.4	0	0	0	107.1	I276 Q284 F285 L288 I294 F316 W318 K323	I276-F279 HydrophobicContact CG2-CB 3.74Å; F279-Q284 HydrophobicContact CE2-CG 4.1Å; F279-Q284 HydrophobicContact CZ-CB 4.34Å; F279-Q284 HydrophobicContact CZ-CG 3.78Å; F279-F285 HydrophobicContact CE1-CB 3.86Å; F279-F285 AromaticContact CE1-CD2 3.93Å; F279-F285 HydrophobicContact CE1-CD2 3.93Å; F279-F285 HydrophobicContact CE1-CG 4.29Å; F279-F285 HydrophobicContact CZ-CB 4.4Å; F279-L288 HydrophobicContact CE2-CD1 3.54Å; F279-L288 HydrophobicContact CZ-CD1 3.74Å; F279-I294 HydrophobicContact CE1-CD1 3.98Å; F279-I294 HydrophobicContact CE2-CD1 3.77Å; F279-I294 HydrophobicContact CZ-CD1 3.33Å; F279-F316 HydrophobicContact CB-CZ 4.06Å; F279-F316 HydrophobicContact CD1-CE2 4.16Å; F279-F316 AromaticContact CD1-CZ 3.73Å; F279-F316 HydrophobicContact CD1-CZ 3.73Å; F279-F316 HydrophobicContact CE1-CZ 4.45Å; F279-F316 HydrophobicContact CG-CE2 4.16Å; F279-F316 AromaticContact CG-CZ 3.94Å; F279-F316 HydrophobicContact CG-CZ 3.94Å; F279-W318 AromaticContact CD2-CD2 3.97Å; F279-W318 HydrophobicContact CD2-CD2 3.97Å; F279-W318 AromaticContact CD2-CE3 3.54Å; F279-W318 HydrophobicContact CD2-CE3 3.54Å; F279-W318 HydrophobicContact CD2-CH2 4.07Å; F279-W318 HydrophobicContact CD2-CZ2 4.44Å; F279-W318 AromaticContact CD2-CZ3 3.61Å; F279-W318 HydrophobicContact CD2-CZ3 3.61Å; F279-W318 AromaticContact CE2-CD2 3.99Å; F279-W318 HydrophobicContact CE2-CD2 3.99Å; F279-W318 HydrophobicContact CE2-CE3 4.04Å; F279-W318 HydrophobicContact CE2-CH2 4.34Å; F279-W318 HydrophobicContact CE2-CZ2 4.27Å; F279-W318 HydrophobicContact CE2-CZ3 4.24Å; F279-K323 HydrophobicContact CB-CD 4.42Å
280	H	96.9	Very high	93.5	Very high	9 Å²	9	30.8 Å²	30.8	4%	0.042	17%	0.171	C	C	.	.			trans	-137.2	6.5	-169.4	-66.1	-74.6	0	0	0	114.7	I266 S327 S328 F385	I266-H280 HydrophobicContact CG2-CB 4.38Å; I266-H280 PolarHBondContact O-N 3.29Å; H280-S327 WeakPolarHBondContact CB-O 3.49Å; H280-S327 PolarHBondContact ND1-O 3.07Å; H280-S328 WeakPolarHBondContact O-CA 3.33Å; H280-S328 VanDerWaalsContact O-CB 3.3Å; H280-S328 WeakPolarHBondContact O-CB 3.45Å; H280-S328 PolarHBondContact O-OG 3.12Å; H280-F385 HydrophobicContact CB-CB 4.16Å; H280-F385 AromaticContact CE1-CD1 3.86Å; H280-F385 AromaticContact CE1-CG 3.73Å; H280-F385 VanDerWaalsContact ND1-CB 3.31Å; H280-F385 WeakPolarHBondContact ND1-CB 3.32Å; H280-F385 AromaticContact ND1-CG 3.94Å; H280-F385 AromaticContact NE2-CD1 3.76Å
281	N	97.9	Very high	93.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	20%	0.197	C	C	.	.			trans	-104.9	128.8	179.4	179.8	-101.6	0	0	0	112.8	F181 F267 L283 Q284 F285 D337	F181-N281 WeakPolarHBondContact CE1-OD1 3.39Å; F181-N281 WeakPolarHBondContact CZ-OD1 3.42Å; F267-N281 HydrophobicContact CB-CB 4.38Å; F267-N281 HydrophobicContact CD1-CB 3.75Å; F267-N281 HydrophobicContact CG-CB 4.49Å; N281-L283 VanDerWaalsContact C-N 3.35Å; N281-L283 PolarHBondContact O-N 2.95Å; N281-L283 WeakPolarHBondContact OD1-CB 3.42Å; N281-L283 PolarHBondContact OD1-N 3.23Å; N281-L283 VanDerWaalsContact OD1-N 3.13Å; N281-Q284 HydrophobicContact CB-CB 4.41Å; N281-Q284 PolarHBondContact OD1-N 2.81Å; N281-F285 PolarHBondContact O-N 3.32Å; N281-D337 PolarHBondContact ND2-OD2 3.28Å
282	W	98.2	Very high	94.1	Very high	2 Å²	2	39.2 Å²	39.2	1%	0.008	23%	0.228	C	C	.	.	H	α-helix	trans	-69.1	-32.6	-176.6	77.9	-91.3	0	0	0	112.8	P134 L139 F164 L167 Y178 F285 Y286 I330 C332	P134-W282 HydrophobicContact CG-CH2 4.43Å; P134-W282 HydrophobicContact CG-CZ2 4.5Å; L139-W282 HydrophobicContact CD1-CZ3 4.24Å; L139-W282 HydrophobicContact CD2-CH2 4.38Å; L139-W282 HydrophobicContact CD2-CZ3 4.21Å; F164-W282 AromaticContact CE1-CE3 3.57Å; F164-W282 HydrophobicContact CE1-CE3 3.57Å; F164-W282 HydrophobicContact CE1-CZ3 4.08Å; F164-W282 HydrophobicContact CZ-CB 4.25Å; F164-W282 AromaticContact CZ-CE3 3.92Å; F164-W282 HydrophobicContact CZ-CE3 3.92Å; L167-W282 HydrophobicContact CD1-CH2 3.91Å; L167-W282 HydrophobicContact CD1-CZ3 3.95Å; L167-W282 HydrophobicContact CD2-CH2 4.43Å; L167-W282 HydrophobicContact CD2-CZ3 4.3Å; Y178-W282 HydrophobicContact CE1-CZ2 4.21Å; W282-F285 WeakPolarHBondContact O-CB 3.28Å; W282-F285 PolarHBondContact O-N 2.99Å; W282-Y286 WeakPolarHBondContact O-CB 3.25Å; W282-Y286 PolarHBondContact O-N 2.89Å; W282-I330 HydrophobicContact CB-CD1 3.65Å; W282-C332 WeakPolarHBondContact CZ2-O 3.21Å; W282-C332 PolarHBondContact NE1-O 2.97Å
283	L	97.5	Very high	94.5	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-73	-39	-177.7	178.7	58.2	0	0	0	110.8	L167 F173 Y178 F181 V182 N281 Y286 R287 P334	L167-L283 HydrophobicContact CD2-CD1 4.37Å; F173-L283 HydrophobicContact CE1-CD1 3.55Å; F173-L283 HydrophobicContact CE1-CD2 4.43Å; F173-L283 HydrophobicContact CZ-CD1 3.81Å; Y178-L283 HydrophobicContact CD1-CD2 3.69Å; Y178-L283 HydrophobicContact CE1-CD2 4.01Å; F181-L283 HydrophobicContact CD1-CD2 3.63Å; F181-L283 HydrophobicContact CD1-CG 4.42Å; F181-L283 HydrophobicContact CE1-CB 4.21Å; F181-L283 HydrophobicContact CE1-CD2 3.89Å; F181-L283 HydrophobicContact CE1-CG 4.24Å; V182-L283 HydrophobicContact CG2-CD2 4.3Å; N281-L283 VanDerWaalsContact C-N 3.35Å; N281-L283 PolarHBondContact O-N 2.95Å; N281-L283 WeakPolarHBondContact OD1-CB 3.42Å; N281-L283 PolarHBondContact OD1-N 3.23Å; N281-L283 VanDerWaalsContact OD1-N 3.13Å; L283-Y286 HydrophobicContact CD1-CD1 4.2Å; L283-Y286 WeakPolarHBondContact O-CB 3.31Å; L283-Y286 PolarHBondContact O-N 3.36Å; L283-R287 WeakPolarHBondContact O-CG 3.26Å; L283-R287 PolarHBondContact O-N 3.1Å; L283-P334 HydrophobicContact CD2-CG 4.4Å
284	Q	97.3	Very high	95.1	Very high	15 Å²	15	36.1 Å²	36.1	7%	0.07	20%	0.196	C	C	.	.	H	α-helix	trans	-66.3	-38.9	170.3	-179.6	64	-15.7	0	0	111.8	L185 F267 A268 F279 N281 R287 L288	L185-Q284 HydrophobicContact CD1-CB 4.3Å; L185-Q284 HydrophobicContact CD2-CB 4.27Å; L185-Q284 HydrophobicContact CD2-CG 4.3Å; F267-Q284 VanDerWaalsContact O-CB 3.31Å; F267-Q284 WeakPolarHBondContact O-CB 3.39Å; F267-Q284 WeakPolarHBondContact O-CG 3.22Å; A268-Q284 WeakPolarHBondContact O-CG 3.11Å; A268-Q284 PolarHBondContact O-NE2 3.47Å; A268-Q284 VanDerWaalsContact O-NE2 3.13Å; F279-Q284 HydrophobicContact CE2-CG 4.1Å; F279-Q284 HydrophobicContact CZ-CB 4.34Å; F279-Q284 HydrophobicContact CZ-CG 3.78Å; N281-Q284 HydrophobicContact CB-CB 4.41Å; N281-Q284 PolarHBondContact OD1-N 2.81Å; Q284-R287 PolarHBondContact O-N 3.07Å; Q284-L288 HydrophobicContact CG-CD1 3.96Å; Q284-L288 HydrophobicContact CG-CG 4.49Å; Q284-L288 WeakPolarHBondContact O-CG 3.42Å; Q284-L288 PolarHBondContact O-N 3.4Å
285	F	98.1	Very high	95.6	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-55.3	-53.8	171.8	-163.1	-68.3	0	0	0	110.9	L163 F164 F279 N281 W282 R287 L288 E289 I294 Y296 M314 F316	L163-F285 HydrophobicContact CB-CE1 4.47Å; L163-F285 HydrophobicContact CD2-CE1 4.28Å; F164-F285 AromaticContact CD2-CD1 3.99Å; F164-F285 HydrophobicContact CD2-CD1 3.99Å; F164-F285 HydrophobicContact CE2-CB 4.13Å; F164-F285 AromaticContact CE2-CD1 3.53Å; F164-F285 HydrophobicContact CE2-CD1 3.53Å; F164-F285 HydrophobicContact CE2-CE1 4.26Å; F164-F285 HydrophobicContact CE2-CG 4.11Å; F279-F285 HydrophobicContact CE1-CB 3.86Å; F279-F285 AromaticContact CE1-CD2 3.93Å; F279-F285 HydrophobicContact CE1-CD2 3.93Å; F279-F285 HydrophobicContact CE1-CG 4.29Å; F279-F285 HydrophobicContact CZ-CB 4.4Å; N281-F285 PolarHBondContact O-N 3.32Å; W282-F285 WeakPolarHBondContact O-CB 3.28Å; W282-F285 PolarHBondContact O-N 2.99Å; F285-R287 VanDerWaalsContact C-N 3.33Å; F285-R287 PolarHBondContact O-N 3.3Å; F285-L288 PolarHBondContact O-N 3.12Å; F285-E289 HydrophobicContact CD1-CB 4.18Å; F285-E289 HydrophobicContact CE1-CB 4.22Å; F285-E289 WeakPolarHBondContact O-CB 3.26Å; F285-E289 PolarHBondContact O-N 2.93Å; F285-I294 HydrophobicContact CD1-CG2 4.12Å; F285-I294 HydrophobicContact CD2-CD1 4.28Å; F285-I294 HydrophobicContact CD2-CG2 4.44Å; F285-I294 HydrophobicContact CE1-CG2 3.55Å; F285-I294 HydrophobicContact CE2-CG2 3.91Å; F285-I294 HydrophobicContact CG-CD1 4.31Å; F285-I294 HydrophobicContact CZ-CG2 3.43Å; F285-I294 VanDerWaalsContact CZ-CG2 3.43Å; F285-Y296 HydrophobicContact CZ-CD2 4.09Å; F285-M314 HydrophobicContact CD2-CE 4.01Å; F285-M314 HydrophobicContact CD2-SD 4.48Å; F285-M314 HydrophobicContact CE2-CE 4.11Å; F285-M314 HydrophobicContact CE2-SD 4.19Å; F285-F316 HydrophobicContact CD2-CD1 4.47Å; F285-F316 HydrophobicContact CD2-CE1 4.34Å; F285-F316 HydrophobicContact CD2-CZ 4.42Å; F285-F316 HydrophobicContact CE2-CB 3.98Å; F285-F316 AromaticContact CE2-CD1 3.57Å; F285-F316 HydrophobicContact CE2-CD1 3.57Å; F285-F316 HydrophobicContact CE2-CD2 4.03Å; F285-F316 AromaticContact CE2-CE1 3.87Å; F285-F316 HydrophobicContact CE2-CE1 3.87Å; F285-F316 HydrophobicContact CE2-CE2 4.33Å; F285-F316 AromaticContact CE2-CG 3.62Å; F285-F316 HydrophobicContact CE2-CG 3.62Å; F285-F316 HydrophobicContact CE2-CZ 4.23Å; F285-F316 HydrophobicContact CZ-CB 4.02Å; F285-F316 HydrophobicContact CZ-CD1 4.39Å; F285-F316 HydrophobicContact CZ-CG 4.17Å
286	Y	98.1	Very high	96.1	Very high	17 Å²	17	30.6 Å²	30.6	7%	0.067	17%	0.165	C	C	.	.	H	α-helix	trans	-52.1	-49.9	178.5	165.6	-105	0	0	0	112	F164 L167 E169 F173 W282 L283 L288 E289 K290	F164-Y286 HydrophobicContact CB-CD2 3.47Å; F164-Y286 VanDerWaalsContact CB-CD2 3.47Å; F164-Y286 HydrophobicContact CB-CE2 4.05Å; F164-Y286 HydrophobicContact CD1-CD2 4.01Å; F164-Y286 HydrophobicContact CD1-CG 4.49Å; F164-Y286 HydrophobicContact CD2-CD2 4.26Å; F164-Y286 AromaticContact CG-CD2 3.66Å; F164-Y286 HydrophobicContact CG-CD2 3.66Å; F164-Y286 HydrophobicContact CG-CG 4.33Å; L167-Y286 HydrophobicContact CB-CD2 4.4Å; L167-Y286 HydrophobicContact CB-CE1 4.15Å; L167-Y286 HydrophobicContact CB-CE2 3.72Å; L167-Y286 HydrophobicContact CD2-CD1 3.55Å; L167-Y286 HydrophobicContact CD2-CD2 4.42Å; L167-Y286 HydrophobicContact CD2-CE1 3.35Å; L167-Y286 HydrophobicContact CD2-CE2 4.25Å; L167-Y286 HydrophobicContact CD2-CG 4.09Å; L167-Y286 HydrophobicContact CG-CE1 4.37Å; E169-Y286 HydrophobicContact CG-CE1 4.14Å; E169-Y286 WeakPolarHBondContact CG-OH 3.48Å; E169-Y286 VanDerWaalsContact OE1-CE1 3.27Å; E169-Y286 WeakPolarHBondContact OE1-CE1 3.49Å; E169-Y286 PolarHBondContact OE1-OH 3.29Å; F173-Y286 HydrophobicContact CZ-CD1 4.37Å; F173-Y286 HydrophobicContact CZ-CE1 4.06Å; W282-Y286 WeakPolarHBondContact O-CB 3.25Å; W282-Y286 PolarHBondContact O-N 2.89Å; L283-Y286 HydrophobicContact CD1-CD1 4.2Å; L283-Y286 WeakPolarHBondContact O-CB 3.31Å; L283-Y286 PolarHBondContact O-N 3.36Å; Y286-L288 PolarHBondContact O-N 3.42Å; Y286-E289 PolarHBondContact O-N 3.33Å; Y286-K290 HydrophobicContact CE1-CD 4.4Å; Y286-K290 VanDerWaalsContact O-CB 3.29Å; Y286-K290 WeakPolarHBondContact O-CB 3.45Å; Y286-K290 PolarHBondContact O-N 2.85Å
287	R	96.8	Very high	96.3	Very high	49 Å²	49	31.4 Å²	31.4	19%	0.185	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-44.9	-178.2	-73.4	-179.3	70.7	-156.4	5.1	112	L283 Q284 F285 Q291	L283-R287 WeakPolarHBondContact O-CG 3.26Å; L283-R287 PolarHBondContact O-N 3.1Å; Q284-R287 PolarHBondContact O-N 3.07Å; F285-R287 VanDerWaalsContact C-N 3.33Å; F285-R287 PolarHBondContact O-N 3.3Å; R287-Q291 VanDerWaalsContact O-CG 3.25Å; R287-Q291 WeakPolarHBondContact O-CG 3.24Å; R287-Q291 PolarHBondContact O-N 3.06Å; R287-Q291 VanDerWaalsContact O-N 3.14Å
288	L	96.3	Very high	96.8	Very high	14 Å²	14	29.6 Å²	29.6	7%	0.073	16%	0.155	C	C	.	.	H	α-helix	trans	-75.1	-35.3	-177.7	-68.2	175	0	0	0	112.3	F279 Q284 F285 Y286 Q291 G292 L293 I294 W318	F279-L288 HydrophobicContact CE2-CD1 3.54Å; F279-L288 HydrophobicContact CZ-CD1 3.74Å; Q284-L288 HydrophobicContact CG-CD1 3.96Å; Q284-L288 HydrophobicContact CG-CG 4.49Å; Q284-L288 WeakPolarHBondContact O-CG 3.42Å; Q284-L288 PolarHBondContact O-N 3.4Å; F285-L288 PolarHBondContact O-N 3.12Å; Y286-L288 PolarHBondContact O-N 3.42Å; L288-Q291 CarbonylContact O-C 3.53Å; L288-Q291 PolarHBondContact O-N 3.47Å; L288-G292 PolarHBondContact O-N 3.26Å; L288-L293 HydrophobicContact CB-CB 4.33Å; L288-L293 HydrophobicContact CD2-CB 4.27Å; L288-L293 HydrophobicContact CD2-CD1 3.75Å; L288-L293 PolarHBondContact O-N 2.9Å; L288-I294 HydrophobicContact CB-CB 4.32Å; L288-I294 HydrophobicContact CB-CD1 3.61Å; L288-I294 HydrophobicContact CB-CG1 3.72Å; L288-I294 HydrophobicContact CD1-CD1 3.88Å; L288-I294 HydrophobicContact CD1-CG1 4.39Å; L288-I294 HydrophobicContact CG-CD1 4.42Å; L288-I294 PolarHBondContact O-N 3.2Å; L288-W318 HydrophobicContact CD1-CZ2 4.3Å
289	E	97.6	Very high	97.1	Very high	17 Å²	17	29.9 Å²	29.9	8%	0.079	16%	0.156	C	C	.	.	H	α-helix	trans	-62.9	-45.4	172	-175.4	179.7	-114.5	0	0	110.6	P162 L163 F164 F285 Y286 Q291 G292 I294 Y296	P162-E289 WeakPolarHBondContact CA-OE1 3.43Å; P162-E289 HydrophobicContact CB-CG 4.09Å; L163-E289 WeakPolarHBondContact CB-OE1 3.3Å; L163-E289 VanDerWaalsContact N-CD 3.32Å; L163-E289 PolarHBondContact N-OE1 2.87Å; L163-E289 PolarHBondContact N-OE2 3.47Å; F164-E289 WeakPolarHBondContact CD2-OE2 3.43Å; F164-E289 PolarHBondContact N-OE2 3.31Å; F285-E289 HydrophobicContact CD1-CB 4.18Å; F285-E289 HydrophobicContact CE1-CB 4.22Å; F285-E289 WeakPolarHBondContact O-CB 3.26Å; F285-E289 PolarHBondContact O-N 2.93Å; Y286-E289 PolarHBondContact O-N 3.33Å; E289-Q291 PolarHBondContact O-N 2.91Å; E289-G292 PolarHBondContact O-N 2.69Å; E289-I294 HydrophobicContact CB-CB 4.31Å; E289-I294 HydrophobicContact CB-CG2 4.44Å; E289-Y296 WeakPolarHBondContact OE1-CB 3.39Å
290	K	96.2	Very high	97.1	Very high	122 Å²	122	30 Å²	30	53%	0.53	16%	0.157	S	C	.	.	H	α-helix	trans	-59.9	-30.6	174.8	179.4	174.2	171.5	177.9	0	113	E169 Y286 G292	E169-K290 IonicContact OE1-NZ 2.7Å; E169-K290 PolarHBondContact OE1-NZ 2.87Å; E169-K290 IonicContact OE2-NZ 2.89Å; E169-K290 PolarHBondContact OE2-NZ 3.35Å; Y286-K290 HydrophobicContact CE1-CD 4.4Å; Y286-K290 VanDerWaalsContact O-CB 3.29Å; Y286-K290 WeakPolarHBondContact O-CB 3.45Å; Y286-K290 PolarHBondContact O-N 2.85Å; K290-G292 VanDerWaalsContact C-N 3.29Å
291	Q	94.8	Very high	97.2	Very high	117 Å²	117	31.6 Å²	31.6	55%	0.547	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-4.3	175	-70.2	171.2	12.9	0	0	113.4	R287 L288 E289 L293	R287-Q291 VanDerWaalsContact O-CG 3.25Å; R287-Q291 WeakPolarHBondContact O-CG 3.24Å; R287-Q291 PolarHBondContact O-N 3.06Å; R287-Q291 VanDerWaalsContact O-N 3.14Å; L288-Q291 CarbonylContact O-C 3.53Å; L288-Q291 PolarHBondContact O-N 3.47Å; E289-Q291 PolarHBondContact O-N 2.91Å; Q291-L293 VanDerWaalsContact C-N 3.28Å; Q291-L293 HydrophobicContact CB-CD1 4.15Å; Q291-L293 HydrophobicContact CB-CG 4.06Å
292	G	95.1	Very high	97.1	Very high	64 Å²	64	34.3 Å²	34.3	66%	0.66	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.1	19.8	-175.5	0	0	0	0	0	113.8	L288 E289 K290	L288-G292 PolarHBondContact O-N 3.26Å; E289-G292 PolarHBondContact O-N 2.69Å; K290-G292 VanDerWaalsContact C-N 3.29Å
293	L	94.8	Very high	97	Very high	83 Å²	83	34.7 Å²	34.7	44%	0.435	18%	0.184	S	C	.	.	S	Bend	trans	-94.5	-18.6	179.3	-63.5	178.2	0	0	0	112.8	L288 Q291 D319	L288-L293 HydrophobicContact CB-CB 4.33Å; L288-L293 HydrophobicContact CD2-CB 4.27Å; L288-L293 HydrophobicContact CD2-CD1 3.75Å; L288-L293 PolarHBondContact O-N 2.9Å; Q291-L293 VanDerWaalsContact C-N 3.28Å; Q291-L293 HydrophobicContact CB-CD1 4.15Å; Q291-L293 HydrophobicContact CB-CG 4.06Å; L293-D319 PolarHBondContact O-N 2.97Å
294	I	96.7	Very high	97	Very high	9 Å²	9	38 Å²	38	5%	0.046	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	139.6	171.5	-73.7	-178	0	0	0	109.4	F279 F285 L288 E289 F316 M317 W318	F279-I294 HydrophobicContact CE1-CD1 3.98Å; F279-I294 HydrophobicContact CE2-CD1 3.77Å; F279-I294 HydrophobicContact CZ-CD1 3.33Å; F285-I294 HydrophobicContact CD1-CG2 4.12Å; F285-I294 HydrophobicContact CD2-CD1 4.28Å; F285-I294 HydrophobicContact CD2-CG2 4.44Å; F285-I294 HydrophobicContact CE1-CG2 3.55Å; F285-I294 HydrophobicContact CE2-CG2 3.91Å; F285-I294 HydrophobicContact CG-CD1 4.31Å; F285-I294 HydrophobicContact CZ-CG2 3.43Å; F285-I294 VanDerWaalsContact CZ-CG2 3.43Å; L288-I294 HydrophobicContact CB-CB 4.32Å; L288-I294 HydrophobicContact CB-CD1 3.61Å; L288-I294 HydrophobicContact CB-CG1 3.72Å; L288-I294 HydrophobicContact CD1-CD1 3.88Å; L288-I294 HydrophobicContact CD1-CG1 4.39Å; L288-I294 HydrophobicContact CG-CD1 4.42Å; L288-I294 PolarHBondContact O-N 3.2Å; E289-I294 HydrophobicContact CB-CB 4.31Å; E289-I294 HydrophobicContact CB-CG2 4.44Å; I294-F316 HydrophobicContact CD1-CE2 4.5Å; I294-F316 HydrophobicContact CG2-CB 4.3Å; I294-F316 HydrophobicContact CG2-CD2 4.24Å; I294-M317 WeakPolarHBondContact CA-O 3.44Å; I294-W318 HydrophobicContact CD1-CB 4.43Å; I294-W318 HydrophobicContact CD1-CG 4.29Å; I294-W318 HydrophobicContact CG1-CB 3.88Å; I294-W318 HydrophobicContact CG1-CG 3.89Å
295	D	97.5	Very high	96.9	Very high	69 Å²	69	38.4 Å²	38.4	37%	0.369	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	116.2	172.5	-168.9	13.6	0	0	0	109.4	Y297 F316 M317	D295-Y297 HydrophobicContact CB-CD1 4.49Å; D295-Y297 HydrophobicContact CB-CE1 4.05Å; D295-Y297 WeakPolarHBondContact O-CD1 3.32Å; D295-Y297 WeakPolarHBondContact OD2-CE1 3.3Å; D295-F316 CarbonylContact O-C 3.45Å; D295-F316 VanDerWaalsContact O-CA 3.24Å; D295-F316 WeakPolarHBondContact O-CA 3.3Å; D295-F316 VanDerWaalsContact O-CB 3.29Å; D295-F316 WeakPolarHBondContact O-CB 3.01Å; D295-M317 HydrophobicContact CB-CB 4.16Å; D295-M317 PolarHBondContact N-O 2.94Å; D295-M317 PolarHBondContact O-N 3.38Å
296	Y	98.4	Very high	96.6	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.3	-177.4	170.5	-106.6	0	0	0	110.3	S143 Q144 S159 L163 F285 E289 S298 H299 M314	S143-Y296 PolarHBondContact O-OH 2.89Å; Q144-Y296 HydrophobicContact CB-CE1 4.42Å; S159-Y296 WeakPolarHBondContact CB-O 3.44Å; S159-Y296 VanDerWaalsContact O-O 3.12Å; S159-Y296 WeakPolarHBondContact OG-CE1 3.37Å; L163-Y296 HydrophobicContact CB-CD1 3.93Å; L163-Y296 HydrophobicContact CB-CD2 4.22Å; L163-Y296 HydrophobicContact CB-CE1 4.39Å; L163-Y296 HydrophobicContact CB-CG 3.82Å; L163-Y296 HydrophobicContact CD1-CE1 4.21Å; L163-Y296 HydrophobicContact CD1-CE2 4.45Å; L163-Y296 HydrophobicContact CD2-CD2 4.16Å; L163-Y296 HydrophobicContact CD2-CE2 4.2Å; F285-Y296 HydrophobicContact CZ-CD2 4.09Å; E289-Y296 WeakPolarHBondContact OE1-CB 3.39Å; Y296-S298 WeakPolarHBondContact CE2-O 3.45Å; Y296-S298 VanDerWaalsContact CZ-C 3.46Å; Y296-S298 PolarHBondContact OH-O 3.39Å; Y296-H299 WeakPolarHBondContact OH-CB 3.23Å; Y296-H299 PolarHBondContact OH-N 3.38Å; Y296-H299 VanDerWaalsContact OH-N 3.17Å; Y296-H299 PolarHBondContact OH-ND1 2.84Å; Y296-M314 HydrophobicContact CE2-CB 4.14Å; Y296-M314 HydrophobicContact CE2-CG 4.12Å
297	Y	98	Very high	96.3	Very high	29 Å²	29	47.4 Å²	47.4	11%	0.114	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	-42.7	-173.4	-80.5	31.4	0	0	0	112.7	Q155 D157 L158 S159 D295 Q315 M317 F322	Q155-Y297 WeakPolarHBondContact O-CE2 3.17Å; D157-Y297 HydrophobicContact CB-CD1 4.07Å; D157-Y297 HydrophobicContact CB-CD2 4.01Å; D157-Y297 HydrophobicContact CB-CE1 4.12Å; D157-Y297 HydrophobicContact CB-CE2 4.05Å; D157-Y297 HydrophobicContact CB-CG 4.02Å; L158-Y297 CarbonylContact C-O 3.51Å; L158-Y297 PolarHBondContact N-O 2.78Å; L158-Y297 VanDerWaalsContact N-O 3.1Å; S159-Y297 WeakPolarHBondContact CB-O 3.31Å; S159-Y297 PolarHBondContact N-O 3.28Å; S159-Y297 PolarHBondContact OG-O 3.3Å; D295-Y297 HydrophobicContact CB-CD1 4.49Å; D295-Y297 HydrophobicContact CB-CE1 4.05Å; D295-Y297 WeakPolarHBondContact O-CD1 3.32Å; D295-Y297 WeakPolarHBondContact OD2-CE1 3.3Å; Y297-Q315 PolarHBondContact N-O 3.36Å; Y297-M317 HydrophobicContact CE1-CB 3.81Å; Y297-M317 WeakPolarHBondContact OH-CE 3.45Å; Y297-F322 HydrophobicContact CD2-CD2 4.35Å; Y297-F322 AromaticContact CD2-CE2 3.84Å; Y297-F322 HydrophobicContact CD2-CE2 3.84Å; Y297-F322 HydrophobicContact CE2-CD2 4.31Å; Y297-F322 HydrophobicContact CE2-CE2 4.22Å; Y297-F322 HydrophobicContact CG-CE2 4.42Å
298	S	97.9	Very high	96.2	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.014	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179	176.4	-175.1	47.5	0	0	0	0	111.2	A145 Y296 Q315	A145-S298 WeakPolarHBondContact O-CA 3.5Å; A145-S298 VanDerWaalsContact O-CB 3.31Å; A145-S298 WeakPolarHBondContact O-CB 3.29Å; Y296-S298 WeakPolarHBondContact CE2-O 3.45Å; Y296-S298 VanDerWaalsContact CZ-C 3.46Å; Y296-S298 PolarHBondContact OH-O 3.39Å; S298-Q315 PolarHBondContact N-O 3.05Å; S298-Q315 PolarHBondContact O-N 2.95Å; S298-Q315 PolarHBondContact O-OE1 3.09Å; S298-Q315 PolarHBondContact OG-OE1 3.34Å
299	H	98.1	Very high	96.1	Very high	5 Å²	5	45.5 Å²	45.5	2%	0.023	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	147.2	166.6	64.1	-79	0	0	0	111.6	S143 A145 R146 V147 Y296 G313 Q315	S143-H299 PolarHBondContact O-CE1 3.14Å; S143-H299 VanDerWaalsContact O-CE1 3.28Å; S143-H299 PolarHBondContact O-ND1 3.13Å; A145-H299 PolarHBondContact O-N 3.45Å; A145-H299 VanDerWaalsContact O-N 3.1Å; A145-H299 PolarHBondContact O-ND1 3.19Å; R146-H299 CarbonylContact C-O 3.49Å; R146-H299 VanDerWaalsContact CA-O 3.25Å; R146-H299 WeakPolarHBondContact CA-O 3.48Å; R146-H299 WeakPolarHBondContact CB-NE2 3.41Å; R146-H299 WeakPolarHBondContact CG-NE2 3.35Å; V147-H299 PolarHBondContact N-O 3.35Å; Y296-H299 WeakPolarHBondContact OH-CB 3.23Å; Y296-H299 PolarHBondContact OH-N 3.38Å; Y296-H299 VanDerWaalsContact OH-N 3.17Å; Y296-H299 PolarHBondContact OH-ND1 2.84Å; H299-G313 CarbonylContact C-O 3.55Å; H299-G313 VanDerWaalsContact CA-O 3.23Å; H299-G313 WeakPolarHBondContact CA-O 3.49Å; H299-G313 WeakPolarHBondContact CB-O 3.4Å; H299-Q315 VanDerWaalsContact C-OE1 3.25Å
300	S	97.4	Very high	96.1	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.028	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	-20.5	172.7	59	0	0	0	0	112.9	V147 G313 Q315	V147-S300 WeakPolarHBondContact O-CA 3.38Å; S300-G313 PolarHBondContact N-O 3.19Å; S300-Q315 PolarHBondContact OG-NE2 2.92Å
301	F	98.1	Very high	96.1	Very high	43 Å²	43	39.5 Å²	39.5	19%	0.189	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	137	177.5	-175.1	-100.5	0	0	0	111.1	V311 L312 G313 T388 P389	F301-V311 HydrophobicContact CD1-CG1 4.12Å; F301-V311 WeakPolarHBondContact CD1-O 3.3Å; F301-V311 HydrophobicContact CE1-CB 4.13Å; F301-V311 HydrophobicContact CE1-CG1 3.93Å; F301-L312 WeakPolarHBondContact O-CA 3.49Å; F301-G313 PolarHBondContact N-O 2.91Å; F301-G313 PolarHBondContact O-N 3.02Å; F301-T388 HydrophobicContact CB-CG2 4.04Å; F301-T388 HydrophobicContact CD1-CG2 3.43Å; F301-T388 VanDerWaalsContact CD1-CG2 3.43Å; F301-T388 HydrophobicContact CE1-CG2 4.05Å; F301-T388 HydrophobicContact CG-CG2 3.85Å; F301-P389 HydrophobicContact CD2-CG 3.87Å; F301-P389 HydrophobicContact CE2-CG 4.08Å
302	D	96.9	Very high	96.3	Very high	57 Å²	57	34 Å²	34	31%	0.305	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	123.1	175.6	-177.9	12.4	0	0	0	106.5	L312	D302-L312 HydrophobicContact CB-CD2 4.09Å
303	G	96.3	Very high	96.4	Very high	11 Å²	11	31 Å²	31	11%	0.113	17%	0.174	C	C	.	.			trans	-72.3	167.2	-168.1	0	0	0	0	0	112.7	W305 D310 V311	G303-W305 PolarHBondContact O-N 3.45Å; G303-D310 VanDerWaalsContact CA-OD1 3.24Å; G303-D310 WeakPolarHBondContact CA-OD1 3.33Å; G303-D310 PolarHBondContact N-OD1 3.01Å; G303-V311 PolarHBondContact N-O 3.23Å
304	P	96.6	Very high	96.6	Very high	71 Å²	71	27 Å²	27	46%	0.461	15%	0.154	S	C	.	.	S	Bend	trans	-77.4	6.1	177.1	32.9	-39.2	0	0	0	114.1	K360	P304-K360 HydrophobicContact CB-CD 4.28Å; P304-K360 HydrophobicContact CB-CG 4.37Å; P304-K360 HydrophobicContact CG-CB 3.92Å; P304-K360 HydrophobicContact CG-CD 4.21Å; P304-K360 HydrophobicContact CG-CG 3.93Å
305	W	96.1	Very high	96.6	Very high	23 Å²	23	26.7 Å²	26.7	9%	0.087	15%	0.152	C	C	.	.			trans	-86.8	133.2	-176.1	-63.1	-87.7	0	0	0	110.6	G303 S307 D310 V311 L357 K360 L362	G303-W305 PolarHBondContact O-N 3.45Å; W305-S307 VanDerWaalsContact C-N 3.29Å; W305-D310 HydrophobicContact CB-CB 4.21Å; W305-D310 VanDerWaalsContact CE3-OD1 3.31Å; W305-V311 HydrophobicContact CE3-CG2 4.45Å; W305-V311 HydrophobicContact CH2-CG2 4.33Å; W305-V311 HydrophobicContact CZ3-CB 3.96Å; W305-V311 HydrophobicContact CZ3-CG2 3.79Å; W305-L357 HydrophobicContact CD2-CD2 4.34Å; W305-L357 HydrophobicContact CH2-CD2 4.49Å; W305-L357 HydrophobicContact CZ2-CB 3.7Å; W305-L357 HydrophobicContact CZ2-CD2 3.87Å; W305-L357 HydrophobicContact CZ2-CG 4.33Å; W305-L357 PolarHBondContact NE1-O 2.7Å; W305-K360 HydrophobicContact CZ2-CB 3.57Å; W305-L362 HydrophobicContact CH2-CB 4.08Å; W305-L362 HydrophobicContact CH2-CD1 4.27Å; W305-L362 HydrophobicContact CZ2-CB 4.33Å
306	T	92.1	Very high	96.6	Very high	153 Å²	153	23.4 Å²	23.4	94%	0.939	14%	0.135	S	C	*	.	S	Bend	trans	-89.4	1.7	-179.6	58.2	0	0	0	0	113
307	S	91.9	Very high	96.6	Very high	53 Å²	53	25.1 Å²	25.1	37%	0.371	14%	0.143	S	C	.	.	S	Bend	trans	-158.8	176	179.2	-161.9	0	0	0	0	109.4	W305 P309	W305-S307 VanDerWaalsContact C-N 3.29Å; S307-P309 CarbonylContact O-C 3.52Å
308	Y	94.6	Very high	96.5	Very high	23 Å²	23	24.2 Å²	24.2	9%	0.09	14%	0.139	C	C	.	.	S	Bend	trans	-80.4	150.4	-177.4	-53.1	-61.7	0	0	0	113.5	K133 L139 I141 I330 G331	K133-Y308 PolarHBondContact NZ-O 2.87Å; L139-Y308 HydrophobicContact CB-CD2 4.27Å; L139-Y308 HydrophobicContact CB-CE2 3.7Å; L139-Y308 HydrophobicContact CD2-CD1 4.05Å; L139-Y308 HydrophobicContact CD2-CD2 3.95Å; L139-Y308 HydrophobicContact CD2-CE1 3.73Å; L139-Y308 HydrophobicContact CD2-CE2 3.64Å; L139-Y308 HydrophobicContact CD2-CG 4.15Å; L139-Y308 HydrophobicContact CG-CD2 4.34Å; L139-Y308 HydrophobicContact CG-CE1 4.26Å; L139-Y308 HydrophobicContact CG-CE2 3.61Å; L139-Y308 WeakPolarHBondContact O-CE2 3.27Å; L139-Y308 PolarHBondContact O-OH 2.04Å; L139-Y308 VanDerWaalsContact O-OH 3.12Å; I141-Y308 HydrophobicContact CD1-CE1 4.45Å; Y308-I330 HydrophobicContact CD1-CG2 4.21Å; Y308-I330 WeakPolarHBondContact CD1-O 3.43Å; Y308-I330 HydrophobicContact CE1-CG2 3.87Å; Y308-G331 WeakPolarHBondContact CB-O 3.46Å
309	P	93.8	Very high	96.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	16%	0.155	C	C	.	.	S	Bend	cis	-67.1	143	-9.6	23.9	-36.2	0	0	0	114.3	Y127 S307 I329 I330 C332 L357	Y127-P309 HydrophobicContact CD2-CG 3.63Å; Y127-P309 VanDerWaalsContact CE2-CD 3.48Å; Y127-P309 HydrophobicContact CE2-CG 3.58Å; S307-P309 CarbonylContact O-C 3.52Å; P309-I329 HydrophobicContact CB-CG2 3.49Å; P309-I329 VanDerWaalsContact CB-CG2 3.49Å; P309-I330 VanDerWaalsContact CA-O 3.28Å; P309-I330 WeakPolarHBondContact CA-O 3.28Å; P309-C332 HydrophobicContact CB-CB 3.99Å; P309-L357 HydrophobicContact CB-CD2 4.4Å; P309-L357 HydrophobicContact CG-CD1 4.47Å; P309-L357 HydrophobicContact CG-CD2 4.02Å
310	D	96	Very high	95.8	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.064	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	171.6	171.7	-175	25.1	0	0	0	109.5	G303 W305 I329 I330	G303-D310 VanDerWaalsContact CA-OD1 3.24Å; G303-D310 WeakPolarHBondContact CA-OD1 3.33Å; G303-D310 PolarHBondContact N-OD1 3.01Å; W305-D310 HydrophobicContact CB-CB 4.21Å; W305-D310 VanDerWaalsContact CE3-OD1 3.31Å; D310-I329 CarbonylContact O-C 3.54Å; D310-I329 WeakPolarHBondContact O-CA 3.41Å; D310-I330 PolarHBondContact N-O 2.88Å; D310-I330 PolarHBondContact O-N 2.78Å
311	V	97.9	Very high	95.7	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.006	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	121.6	-180	177.2	0	0	0	0	110.7	F301 G303 W305 S328 I329 L362 P386 T388	F301-V311 HydrophobicContact CD1-CG1 4.12Å; F301-V311 WeakPolarHBondContact CD1-O 3.3Å; F301-V311 HydrophobicContact CE1-CB 4.13Å; F301-V311 HydrophobicContact CE1-CG1 3.93Å; G303-V311 PolarHBondContact N-O 3.23Å; W305-V311 HydrophobicContact CE3-CG2 4.45Å; W305-V311 HydrophobicContact CH2-CG2 4.33Å; W305-V311 HydrophobicContact CZ3-CB 3.96Å; W305-V311 HydrophobicContact CZ3-CG2 3.79Å; V311-S328 WeakPolarHBondContact CA-O 3.16Å; V311-I329 HydrophobicContact CG2-CG1 4.32Å; V311-L362 HydrophobicContact CG2-CD1 3.83Å; V311-L362 HydrophobicContact CG2-CD2 4.46Å; V311-P386 HydrophobicContact CG1-CB 3.58Å; V311-P386 HydrophobicContact CG1-CG 4.11Å; V311-P386 HydrophobicContact CG2-CB 4.47Å; V311-T388 HydrophobicContact CG1-CG2 3.94Å
312	L	97.9	Very high	95.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	142.6	171.9	-64.7	-174.2	0	0	0	111	I141 L163 F301 D302 M314 S327 S328 I330	I141-L312 HydrophobicContact CD1-CD1 4.24Å; L163-L312 HydrophobicContact CD1-CD1 4.27Å; L163-L312 HydrophobicContact CD2-CD1 4.34Å; F301-L312 WeakPolarHBondContact O-CA 3.49Å; D302-L312 HydrophobicContact CB-CD2 4.09Å; L312-M314 HydrophobicContact CB-CG 3.73Å; L312-M314 HydrophobicContact CB-SD 4.11Å; L312-M314 HydrophobicContact CD1-CG 4.5Å; L312-M314 HydrophobicContact CD1-SD 4.34Å; L312-S327 WeakPolarHBondContact O-CA 3.45Å; L312-S328 PolarHBondContact N-O 2.93Å; L312-S328 VanDerWaalsContact N-O 3.16Å; L312-S328 PolarHBondContact O-N 2.89Å; L312-I330 HydrophobicContact CB-CD1 4.38Å; L312-I330 HydrophobicContact CB-CG1 3.98Å; L312-I330 HydrophobicContact CD1-CD1 4.42Å; L312-I330 HydrophobicContact CD1-CG1 3.89Å; L312-I330 HydrophobicContact CG-CD1 4.5Å; L312-I330 HydrophobicContact CG-CG1 3.7Å
313	G	97.8	Very high	95.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	108.5	164.1	0	0	0	0	0	109	H299 S300 F301	H299-G313 CarbonylContact C-O 3.55Å; H299-G313 VanDerWaalsContact CA-O 3.23Å; H299-G313 WeakPolarHBondContact CA-O 3.49Å; H299-G313 WeakPolarHBondContact CB-O 3.4Å; S300-G313 PolarHBondContact N-O 3.19Å; F301-G313 PolarHBondContact N-O 2.91Å; F301-G313 PolarHBondContact O-N 3.02Å
314	M	97.8	Very high	95.5	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	148.3	-163.3	-57.1	173	-68.3	0	0	112.6	L163 F285 Y296 L312 F316 V325 G326 I330	L163-M314 HydrophobicContact CD2-SD 3.58Å; L163-M314 VanDerWaalsContact CD2-SD 3.58Å; F285-M314 HydrophobicContact CD2-CE 4.01Å; F285-M314 HydrophobicContact CD2-SD 4.48Å; F285-M314 HydrophobicContact CE2-CE 4.11Å; F285-M314 HydrophobicContact CE2-SD 4.19Å; Y296-M314 HydrophobicContact CE2-CB 4.14Å; Y296-M314 HydrophobicContact CE2-CG 4.12Å; L312-M314 HydrophobicContact CB-CG 3.73Å; L312-M314 HydrophobicContact CB-SD 4.11Å; L312-M314 HydrophobicContact CD1-CG 4.5Å; L312-M314 HydrophobicContact CD1-SD 4.34Å; M314-F316 HydrophobicContact CB-CD1 4.16Å; M314-V325 CarbonylContact O-C 3.6Å; M314-V325 WeakPolarHBondContact O-CA 3.49Å; M314-G326 PolarHBondContact N-O 3.14Å; M314-G326 PolarHBondContact O-N 2.95Å; M314-I330 HydrophobicContact CE-CD1 4.35Å; M314-I330 HydrophobicContact SD-CD1 4.37Å
315	Q	97.9	Very high	95.4	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.8	166.3	-68.7	61.6	69.1	0	0	107.8	Y297 S298 H299 S300 F322 Q324	Y297-Q315 PolarHBondContact N-O 3.36Å; S298-Q315 PolarHBondContact N-O 3.05Å; S298-Q315 PolarHBondContact O-N 2.95Å; S298-Q315 PolarHBondContact O-OE1 3.09Å; S298-Q315 PolarHBondContact OG-OE1 3.34Å; H299-Q315 VanDerWaalsContact C-OE1 3.25Å; S300-Q315 PolarHBondContact OG-NE2 2.92Å; Q315-F322 HydrophobicContact CB-CE2 4.22Å; Q315-F322 HydrophobicContact CB-CZ 4.11Å; Q315-F322 HydrophobicContact CG-CZ 4.22Å; Q315-Q324 VanDerWaalsContact CG-O 3.29Å; Q315-Q324 WeakPolarHBondContact CG-O 2.96Å; Q315-Q324 PolarHBondContact NE2-O 2.99Å
316	F	98	Very high	95.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	158.1	179.6	59.7	-87.7	0	0	0	112.4	I276 F279 F285 I294 D295 M314 W318 K323	I276-F316 HydrophobicContact CD1-CE2 4.26Å; F279-F316 HydrophobicContact CB-CZ 4.06Å; F279-F316 HydrophobicContact CD1-CE2 4.16Å; F279-F316 AromaticContact CD1-CZ 3.73Å; F279-F316 HydrophobicContact CD1-CZ 3.73Å; F279-F316 HydrophobicContact CE1-CZ 4.45Å; F279-F316 HydrophobicContact CG-CE2 4.16Å; F279-F316 AromaticContact CG-CZ 3.94Å; F279-F316 HydrophobicContact CG-CZ 3.94Å; F285-F316 HydrophobicContact CD2-CD1 4.47Å; F285-F316 HydrophobicContact CD2-CE1 4.34Å; F285-F316 HydrophobicContact CD2-CZ 4.42Å; F285-F316 HydrophobicContact CE2-CB 3.98Å; F285-F316 AromaticContact CE2-CD1 3.57Å; F285-F316 HydrophobicContact CE2-CD1 3.57Å; F285-F316 HydrophobicContact CE2-CD2 4.03Å; F285-F316 AromaticContact CE2-CE1 3.87Å; F285-F316 HydrophobicContact CE2-CE1 3.87Å; F285-F316 HydrophobicContact CE2-CE2 4.33Å; F285-F316 AromaticContact CE2-CG 3.62Å; F285-F316 HydrophobicContact CE2-CG 3.62Å; F285-F316 HydrophobicContact CE2-CZ 4.23Å; F285-F316 HydrophobicContact CZ-CB 4.02Å; F285-F316 HydrophobicContact CZ-CD1 4.39Å; F285-F316 HydrophobicContact CZ-CG 4.17Å; I294-F316 HydrophobicContact CD1-CE2 4.5Å; I294-F316 HydrophobicContact CG2-CB 4.3Å; I294-F316 HydrophobicContact CG2-CD2 4.24Å; D295-F316 CarbonylContact O-C 3.45Å; D295-F316 VanDerWaalsContact O-CA 3.24Å; D295-F316 WeakPolarHBondContact O-CA 3.3Å; D295-F316 VanDerWaalsContact O-CB 3.29Å; D295-F316 WeakPolarHBondContact O-CB 3.01Å; M314-F316 HydrophobicContact CB-CD1 4.16Å; F316-W318 HydrophobicContact CD2-CB 4.23Å; F316-W318 HydrophobicContact CE2-CB 4.22Å; F316-K323 HydrophobicContact CD1-CB 4.31Å; F316-K323 HydrophobicContact CD2-CB 4.39Å; F316-K323 HydrophobicContact CE1-CB 4.09Å; F316-K323 HydrophobicContact CE1-CD 3.59Å; F316-K323 HydrophobicContact CE1-CG 4.33Å; F316-K323 HydrophobicContact CE2-CB 4.14Å; F316-K323 HydrophobicContact CE2-CD 4.12Å; F316-K323 HydrophobicContact CG-CB 4.49Å; F316-K323 HydrophobicContact CZ-CB 4.01Å; F316-K323 HydrophobicContact CZ-CD 3.32Å; F316-K323 HydrophobicContact CZ-CG 4.27Å; F316-K323 PolarHBondContact N-O 2.83Å; F316-K323 PolarHBondContact O-N 3.36Å
317	M	97.1	Very high	95.6	Very high	37 Å²	37	26.5 Å²	26.5	18%	0.182	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	134.8	168.8	-167.9	69.7	67	0	0	109	I294 D295 Y297 Y321 F322	I294-M317 WeakPolarHBondContact CA-O 3.44Å; D295-M317 HydrophobicContact CB-CB 4.16Å; D295-M317 PolarHBondContact N-O 2.94Å; D295-M317 PolarHBondContact O-N 3.38Å; Y297-M317 HydrophobicContact CE1-CB 3.81Å; Y297-M317 WeakPolarHBondContact OH-CE 3.45Å; M317-Y321 WeakPolarHBondContact CA-O 3.44Å; M317-Y321 PolarHBondContact SD-N 3.36Å; M317-Y321 VanDerWaalsContact SD-N 3.44Å; M317-F322 HydrophobicContact CE-CB 3.99Å; M317-F322 HydrophobicContact CE-CD2 4.33Å; M317-F322 HydrophobicContact SD-CB 4.14Å; M317-F322 PolarHBondContact SD-N 2.73Å; M317-F322 VanDerWaalsContact SD-N 3.42Å
318	W	95.8	Very high	95.9	Very high	9 Å²	9	24 Å²	24	3%	0.034	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	123.2	170.5	174.8	42.5	0	0	0	109.1	R190 G269 I271 I276 F279 L288 I294 F316 G320 Y321	R190-W318 HydrophobicContact CB-CH2 3.9Å; R190-W318 HydrophobicContact CB-CZ2 3.96Å; G269-W318 VanDerWaalsContact C-CH2 3.49Å; I271-W318 HydrophobicContact CD1-CE3 4.27Å; I271-W318 HydrophobicContact CD1-CH2 4.39Å; I271-W318 HydrophobicContact CD1-CZ3 4.17Å; I271-W318 HydrophobicContact CG1-CE3 4.13Å; I271-W318 HydrophobicContact CG1-CH2 4.32Å; I271-W318 HydrophobicContact CG1-CZ3 3.8Å; I276-W318 HydrophobicContact CB-CE3 4.49Å; I276-W318 HydrophobicContact CD1-CB 3.67Å; I276-W318 HydrophobicContact CD1-CE3 4.14Å; I276-W318 HydrophobicContact CG1-CE3 3.89Å; I276-W318 HydrophobicContact CG2-CE3 3.84Å; I276-W318 HydrophobicContact CG2-CZ3 4.1Å; F279-W318 AromaticContact CD2-CD2 3.97Å; F279-W318 HydrophobicContact CD2-CD2 3.97Å; F279-W318 AromaticContact CD2-CE3 3.54Å; F279-W318 HydrophobicContact CD2-CE3 3.54Å; F279-W318 HydrophobicContact CD2-CH2 4.07Å; F279-W318 HydrophobicContact CD2-CZ2 4.44Å; F279-W318 AromaticContact CD2-CZ3 3.61Å; F279-W318 HydrophobicContact CD2-CZ3 3.61Å; F279-W318 AromaticContact CE2-CD2 3.99Å; F279-W318 HydrophobicContact CE2-CD2 3.99Å; F279-W318 HydrophobicContact CE2-CE3 4.04Å; F279-W318 HydrophobicContact CE2-CH2 4.34Å; F279-W318 HydrophobicContact CE2-CZ2 4.27Å; F279-W318 HydrophobicContact CE2-CZ3 4.24Å; L288-W318 HydrophobicContact CD1-CZ2 4.3Å; I294-W318 HydrophobicContact CD1-CB 4.43Å; I294-W318 HydrophobicContact CD1-CG 4.29Å; I294-W318 HydrophobicContact CG1-CB 3.88Å; I294-W318 HydrophobicContact CG1-CG 3.89Å; F316-W318 HydrophobicContact CD2-CB 4.23Å; F316-W318 HydrophobicContact CE2-CB 4.22Å; W318-G320 PolarHBondContact O-N 2.95Å; W318-Y321 PolarHBondContact N-O 3.04Å; W318-Y321 PolarHBondContact O-N 2.76Å
319	D	89.9	Confident	96.1	Very high	63 Å²	63	23 Å²	23	34%	0.337	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	38.6	179.7	-158.6	34.4	0	0	0	113.7	R190 I271 L293 Y321	R190-D319 IonicContact CZ-OD2 2.8Å; R190-D319 IonicContact NE-OD2 2.75Å; R190-D319 PolarHBondContact NE-OD2 3.06Å; R190-D319 VanDerWaalsContact NH2-CG 3.33Å; R190-D319 IonicContact NH2-OD1 2.78Å; R190-D319 PolarHBondContact NH2-OD1 3Å; R190-D319 IonicContact NH2-OD2 3.15Å; R190-D319 PolarHBondContact NH2-OD2 3.01Å; I271-D319 HydrophobicContact CD1-CB 4.12Å; L293-D319 PolarHBondContact O-N 2.97Å; D319-Y321 VanDerWaalsContact C-N 3.28Å; D319-Y321 VanDerWaalsContact O-CD2 3.31Å; D319-Y321 WeakPolarHBondContact O-CD2 3.08Å; D319-Y321 PolarHBondContact O-N 3.4Å
320	G	92.1	Very high	96.3	Very high	62 Å²	62	23 Å²	23	64%	0.639	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.5	5.1	-179.4	0	0	0	0	0	115.3	W318	W318-G320 PolarHBondContact O-N 2.95Å
321	Y	95.3	Very high	96.4	Very high	84 Å²	84	22.4 Å²	22.4	33%	0.329	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	133.3	175.3	-58.6	-67.5	0	0	0	111.7	I271 G274 I276 M317 W318 D319	I271-Y321 HydrophobicContact CD1-CD2 3.72Å; I271-Y321 HydrophobicContact CD1-CE2 4.05Å; I271-Y321 HydrophobicContact CG1-CD2 4.23Å; I271-Y321 HydrophobicContact CG2-CD2 3.91Å; I271-Y321 HydrophobicContact CG2-CE2 3.82Å; G274-Y321 WeakPolarHBondContact O-CD1 3.42Å; G274-Y321 WeakPolarHBondContact O-CE1 3.44Å; I276-Y321 WeakPolarHBondContact CD1-O 2.92Å; M317-Y321 WeakPolarHBondContact CA-O 3.44Å; M317-Y321 PolarHBondContact SD-N 3.36Å; M317-Y321 VanDerWaalsContact SD-N 3.44Å; W318-Y321 PolarHBondContact N-O 3.04Å; W318-Y321 PolarHBondContact O-N 2.76Å; D319-Y321 VanDerWaalsContact C-N 3.28Å; D319-Y321 VanDerWaalsContact O-CD2 3.31Å; D319-Y321 WeakPolarHBondContact O-CD2 3.08Å; D319-Y321 PolarHBondContact O-N 3.4Å
322	F	96.3	Very high	96.4	Very high	38 Å²	38	22.3 Å²	22.3	17%	0.167	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	131.3	179.5	-179.4	-105.6	0	0	0	111.1	T152 Q155 Y297 Q315 M317 Q324	T152-F322 WeakPolarHBondContact O-CE1 3.37Å; T152-F322 WeakPolarHBondContact O-CZ 3.31Å; Q155-F322 HydrophobicContact CB-CD2 4.44Å; Q155-F322 HydrophobicContact CB-CE2 4.41Å; Q155-F322 HydrophobicContact CG-CB 4.38Å; Q155-F322 HydrophobicContact CG-CD1 3.56Å; Q155-F322 HydrophobicContact CG-CD2 3.99Å; Q155-F322 HydrophobicContact CG-CE1 3.68Å; Q155-F322 HydrophobicContact CG-CE2 4.12Å; Q155-F322 HydrophobicContact CG-CG 3.71Å; Q155-F322 HydrophobicContact CG-CZ 3.97Å; Y297-F322 HydrophobicContact CD2-CD2 4.35Å; Y297-F322 AromaticContact CD2-CE2 3.84Å; Y297-F322 HydrophobicContact CD2-CE2 3.84Å; Y297-F322 HydrophobicContact CE2-CD2 4.31Å; Y297-F322 HydrophobicContact CE2-CE2 4.22Å; Y297-F322 HydrophobicContact CG-CE2 4.42Å; Q315-F322 HydrophobicContact CB-CE2 4.22Å; Q315-F322 HydrophobicContact CB-CZ 4.11Å; Q315-F322 HydrophobicContact CG-CZ 4.22Å; M317-F322 HydrophobicContact CE-CB 3.99Å; M317-F322 HydrophobicContact CE-CD2 4.33Å; M317-F322 HydrophobicContact SD-CB 4.14Å; M317-F322 PolarHBondContact SD-N 2.73Å; M317-F322 VanDerWaalsContact SD-N 3.42Å; F322-Q324 VanDerWaalsContact CE1-CA 3.5Å; F322-Q324 HydrophobicContact CE1-CB 4.09Å
323	K	95.9	Very high	96.4	Very high	18 Å²	18	22.3 Å²	22.3	8%	0.078	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	114.8	167.5	-161.8	177.9	-177.9	72.3	0	109.4	I276 F279 F316 V325	I276-K323 HydrophobicContact CB-CB 4.27Å; I276-K323 HydrophobicContact CB-CD 4.41Å; I276-K323 HydrophobicContact CB-CG 4.35Å; I276-K323 HydrophobicContact CD1-CB 3.8Å; I276-K323 HydrophobicContact CG2-CD 3.93Å; I276-K323 HydrophobicContact CG2-CG 4.41Å; I276-K323 PolarHBondContact O-NZ 2.83Å; F279-K323 HydrophobicContact CB-CD 4.42Å; F316-K323 HydrophobicContact CD1-CB 4.31Å; F316-K323 HydrophobicContact CD2-CB 4.39Å; F316-K323 HydrophobicContact CE1-CB 4.09Å; F316-K323 HydrophobicContact CE1-CD 3.59Å; F316-K323 HydrophobicContact CE1-CG 4.33Å; F316-K323 HydrophobicContact CE2-CB 4.14Å; F316-K323 HydrophobicContact CE2-CD 4.12Å; F316-K323 HydrophobicContact CG-CB 4.49Å; F316-K323 HydrophobicContact CZ-CB 4.01Å; F316-K323 HydrophobicContact CZ-CD 3.32Å; F316-K323 HydrophobicContact CZ-CG 4.27Å; F316-K323 PolarHBondContact N-O 2.83Å; F316-K323 PolarHBondContact O-N 3.36Å; K323-V325 WeakPolarHBondContact CE-O 3.31Å
324	Q	94.9	Very high	96.5	Very high	97 Å²	97	22.4 Å²	22.4	45%	0.453	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	-46.2	179.6	-172.7	-174.4	-18.3	0	0	112.4	T152 Q315 F322	T152-Q324 WeakPolarHBondContact O-CG 3.39Å; T152-Q324 PolarHBondContact OG1-NE2 3.12Å; Q315-Q324 VanDerWaalsContact CG-O 3.29Å; Q315-Q324 WeakPolarHBondContact CG-O 2.96Å; Q315-Q324 PolarHBondContact NE2-O 2.99Å; F322-Q324 VanDerWaalsContact CE1-CA 3.5Å; F322-Q324 HydrophobicContact CE1-CB 4.09Å
325	V	94	Very high	96.5	Very high	52 Å²	52	22.5 Å²	22.5	32%	0.315	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	117.4	173.3	-176.6	0	0	0	0	108.1	T152 M314 K323	T152-V325 HydrophobicContact CG2-CG2 4.08Å; M314-V325 CarbonylContact O-C 3.6Å; M314-V325 WeakPolarHBondContact O-CA 3.49Å; K323-V325 WeakPolarHBondContact CE-O 3.31Å
326	G	95.6	Very high	96.5	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	116.6	163.8	0	0	0	0	0	109.5	M314	M314-G326 PolarHBondContact N-O 3.14Å; M314-G326 PolarHBondContact O-N 2.95Å
327	S	97.4	Very high	96.5	Very high	4 Å²	4	22.4 Å²	22.4	3%	0.028	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	144.2	178.1	52.5	0	0	0	0	112	H280 L312 P386	H280-S327 WeakPolarHBondContact CB-O 3.49Å; H280-S327 PolarHBondContact ND1-O 3.07Å; L312-S327 WeakPolarHBondContact O-CA 3.45Å; S327-P386 WeakPolarHBondContact CB-O 3.21Å; S327-P386 PolarHBondContact OG-O 2.92Å
328	S	97.6	Very high	96.5	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	147.7	-176.9	-67.5	0	0	0	0	111.2	H280 V311 L312 I330	H280-S328 WeakPolarHBondContact O-CA 3.33Å; H280-S328 VanDerWaalsContact O-CB 3.3Å; H280-S328 WeakPolarHBondContact O-CB 3.45Å; H280-S328 PolarHBondContact O-OG 3.12Å; V311-S328 WeakPolarHBondContact CA-O 3.16Å; L312-S328 PolarHBondContact N-O 2.93Å; L312-S328 VanDerWaalsContact N-O 3.16Å; L312-S328 PolarHBondContact O-N 2.89Å; S328-I330 PolarHBondContact O-N 3.4Å
329	I	98.3	Very high	96.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	99.9	168	-51.2	-179	0	0	0	107.4	P309 D310 V311 C332 F336 Y341 L362 I364 P386	P309-I329 HydrophobicContact CB-CG2 3.49Å; P309-I329 VanDerWaalsContact CB-CG2 3.49Å; D310-I329 CarbonylContact O-C 3.54Å; D310-I329 WeakPolarHBondContact O-CA 3.41Å; V311-I329 HydrophobicContact CG2-CG1 4.32Å; I329-C332 HydrophobicContact CG2-CB 3.87Å; I329-C332 PolarHBondContact O-SG 3.05Å; I329-F336 HydrophobicContact CD1-CE1 4.04Å; I329-F336 HydrophobicContact CG2-CE1 4.29Å; I329-Y341 HydrophobicContact CD1-CE1 4.31Å; I329-L362 HydrophobicContact CD1-CD2 4.33Å; I329-I364 HydrophobicContact CD1-CD1 4.41Å; I329-P386 HydrophobicContact CD1-CG 4.36Å; I329-P386 HydrophobicContact CG1-CG 3.55Å
330	I	98.4	Very high	97.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	129.3	-176.2	-52.9	-54.4	0	0	0	110.3	L139 I141 F164 W282 Y308 P309 D310 L312 M314 S328 C332	L139-I330 HydrophobicContact CD2-CG2 4.27Å; I141-I330 HydrophobicContact CG2-CG2 4.36Å; F164-I330 HydrophobicContact CE1-CG2 4.46Å; W282-I330 HydrophobicContact CB-CD1 3.65Å; Y308-I330 HydrophobicContact CD1-CG2 4.21Å; Y308-I330 WeakPolarHBondContact CD1-O 3.43Å; Y308-I330 HydrophobicContact CE1-CG2 3.87Å; P309-I330 VanDerWaalsContact CA-O 3.28Å; P309-I330 WeakPolarHBondContact CA-O 3.28Å; D310-I330 PolarHBondContact N-O 2.88Å; D310-I330 PolarHBondContact O-N 2.78Å; L312-I330 HydrophobicContact CB-CD1 4.38Å; L312-I330 HydrophobicContact CB-CG1 3.98Å; L312-I330 HydrophobicContact CD1-CD1 4.42Å; L312-I330 HydrophobicContact CD1-CG1 3.89Å; L312-I330 HydrophobicContact CG-CD1 4.5Å; L312-I330 HydrophobicContact CG-CG1 3.7Å; M314-I330 HydrophobicContact CE-CD1 4.35Å; M314-I330 HydrophobicContact SD-CD1 4.37Å; S328-I330 PolarHBondContact O-N 3.4Å; I330-C332 VanDerWaalsContact C-N 3.35Å; I330-C332 PolarHBondContact O-N 2.76Å
331	G	98	Very high	97.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	22.7	172.8	0	0	0	0	0	114.5	K133 P134 Y308	K133-G331 WeakPolarHBondContact CB-O 3.36Å; P134-G331 WeakPolarHBondContact CD-O 2.98Å; Y308-G331 WeakPolarHBondContact CB-O 3.46Å
332	C	98.4	Very high	97.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.052	C	C	.	.			trans	-83	163.2	161.8	64.4	0	0	0	0	111.2	Y178 W282 P309 I329 I330 F336	Y178-C332 PolarHBondContact OH-O 3.39Å; W282-C332 WeakPolarHBondContact CZ2-O 3.21Å; W282-C332 PolarHBondContact NE1-O 2.97Å; P309-C332 HydrophobicContact CB-CB 3.99Å; I329-C332 HydrophobicContact CG2-CB 3.87Å; I329-C332 PolarHBondContact O-SG 3.05Å; I330-C332 VanDerWaalsContact C-N 3.35Å; I330-C332 PolarHBondContact O-N 2.76Å; C332-F336 HydrophobicContact CB-CB 4.06Å; C332-F336 HydrophobicContact CB-CD1 3.48Å; C332-F336 VanDerWaalsContact CB-CD1 3.48Å; C332-F336 HydrophobicContact CB-CE1 4.31Å; C332-F336 HydrophobicContact CB-CG 4.01Å
333	S	98.7	Very high	97.7	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.044	C	C	.	.			trans	-75.8	159	167.1	65	0	0	0	0	112.7	D130 Y178 E335 F336 D337	D130-S333 VanDerWaalsContact CG-OG 3.3Å; D130-S333 WeakPolarHBondContact OD1-CB 2.99Å; D130-S333 PolarHBondContact OD1-OG 2.99Å; D130-S333 PolarHBondContact OD2-N 2.87Å; Y178-S333 WeakPolarHBondContact OH-CA 3.33Å; S333-E335 VanDerWaalsContact CB-CD 3.47Å; S333-E335 WeakPolarHBondContact CB-OE2 3.44Å; S333-E335 PolarHBondContact O-N 2.52Å; S333-E335 VanDerWaalsContact OG-CG 3.27Å; S333-E335 WeakPolarHBondContact OG-CG 3.09Å; S333-E335 PolarHBondContact OG-OE2 3.38Å; S333-F336 PolarHBondContact O-N 3.29Å; S333-F336 VanDerWaalsContact O-N 3.11Å; S333-F336 WeakPolarHBondContact OG-CB 3.45Å; S333-F336 PolarHBondContact OG-N 2.79Å; S333-D337 PolarHBondContact O-N 3.48Å
334	P	98.4	Very high	97.8	Very high	3 Å²	3	7.7 Å²	7.7	2%	0.019	4%	0.04	C	C	.	.	H	α-helix	trans	-55.1	-38.5	174.5	-27.3	35.7	0	0	0	113.6	Y178 F181 F209 L283 L338	Y178-P334 HydrophobicContact CD1-CG 4.16Å; Y178-P334 HydrophobicContact CD2-CG 4.22Å; Y178-P334 HydrophobicContact CE1-CG 4.34Å; Y178-P334 VanDerWaalsContact CE2-CD 3.46Å; Y178-P334 HydrophobicContact CE2-CG 4.41Å; Y178-P334 HydrophobicContact CG-CG 4.1Å; F181-P334 HydrophobicContact CB-CB 3.83Å; F181-P334 HydrophobicContact CB-CG 3.89Å; F181-P334 HydrophobicContact CD1-CB 4.45Å; F181-P334 HydrophobicContact CD1-CG 4.24Å; F181-P334 HydrophobicContact CD2-CB 3.99Å; F181-P334 HydrophobicContact CG-CB 3.84Å; F181-P334 HydrophobicContact CG-CG 4.01Å; F209-P334 HydrophobicContact CE2-CB 3.83Å; F209-P334 HydrophobicContact CZ-CB 4.24Å; L283-P334 HydrophobicContact CD2-CG 4.4Å; P334-L338 WeakPolarHBondContact O-CB 3.29Å; P334-L338 PolarHBondContact O-N 3.12Å; P334-L338 VanDerWaalsContact O-N 3.1Å
335	E	98.6	Very high	98	Very high	2 Å²	2	3.7 Å²	3.7	1%	0.009	2%	0.021	C	C	.	.	H	α-helix	trans	-68.5	-33	177.1	59.7	-90.5	-141	0	0	113	N132 S177 A213 M214 T217 L219 S333 A339	N132-E335 VanDerWaalsContact CB-OE1 3.25Å; N132-E335 WeakPolarHBondContact CB-OE1 3.44Å; N132-E335 PolarHBondContact ND2-OE1 3.21Å; S177-E335 WeakPolarHBondContact CB-OE2 3.5Å; S177-E335 VanDerWaalsContact OG-CD 3.27Å; S177-E335 PolarHBondContact OG-OE1 2.79Å; S177-E335 PolarHBondContact OG-OE2 2.8Å; A213-E335 HydrophobicContact CB-CB 3.71Å; A213-E335 WeakPolarHBondContact O-CB 3.4Å; M214-E335 HydrophobicContact CE-CB 4.35Å; M214-E335 WeakPolarHBondContact CE-O 3.46Å; T217-E335 HydrophobicContact CG2-CB 4.44Å; T217-E335 HydrophobicContact CG2-CG 3.89Å; T217-E335 VanDerWaalsContact CG2-OE1 3.31Å; T217-E335 WeakPolarHBondContact CG2-OE1 3.35Å; L219-E335 HydrophobicContact CD1-CG 4.42Å; L219-E335 HydrophobicContact CD2-CB 4.4Å; L219-E335 HydrophobicContact CD2-CG 4.36Å; S333-E335 VanDerWaalsContact CB-CD 3.47Å; S333-E335 WeakPolarHBondContact CB-OE2 3.44Å; S333-E335 PolarHBondContact O-N 2.52Å; S333-E335 VanDerWaalsContact OG-CG 3.27Å; S333-E335 WeakPolarHBondContact OG-CG 3.09Å; S333-E335 PolarHBondContact OG-OE2 3.38Å; E335-A339 WeakPolarHBondContact O-CB 3.39Å; E335-A339 PolarHBondContact O-N 2.86Å
336	F	98.8	Very high	98.1	Very high	1 Å²	1	2.4 Å²	2.4	0%	0.004	1%	0.012	C	C	.	.	H	α-helix	trans	-66.2	-49.5	176.4	179.8	-84.5	0	0	0	111.5	L126 D130 L219 I329 C332 S333 L338 A339 V340 L357	L126-F336 HydrophobicContact CB-CD2 4.35Å; L126-F336 HydrophobicContact CB-CE2 4.06Å; D130-F336 HydrophobicContact CB-CB 4.34Å; D130-F336 HydrophobicContact CB-CD2 3.86Å; D130-F336 HydrophobicContact CB-CG 4.38Å; D130-F336 WeakPolarHBondContact OD2-CB 3.48Å; L219-F336 HydrophobicContact CD1-CB 3.88Å; L219-F336 HydrophobicContact CD1-CD2 3.83Å; L219-F336 HydrophobicContact CD1-CG 4.36Å; I329-F336 HydrophobicContact CD1-CE1 4.04Å; I329-F336 HydrophobicContact CG2-CE1 4.29Å; C332-F336 HydrophobicContact CB-CB 4.06Å; C332-F336 HydrophobicContact CB-CD1 3.48Å; C332-F336 VanDerWaalsContact CB-CD1 3.48Å; C332-F336 HydrophobicContact CB-CE1 4.31Å; C332-F336 HydrophobicContact CB-CG 4.01Å; S333-F336 PolarHBondContact O-N 3.29Å; S333-F336 VanDerWaalsContact O-N 3.11Å; S333-F336 WeakPolarHBondContact OG-CB 3.45Å; S333-F336 PolarHBondContact OG-N 2.79Å; F336-L338 VanDerWaalsContact C-N 3.35Å; F336-L338 PolarHBondContact O-N 2.87Å; F336-A339 PolarHBondContact O-N 3.03Å; F336-V340 HydrophobicContact CD1-CG2 4.22Å; F336-V340 HydrophobicContact CD2-CG2 4.42Å; F336-V340 HydrophobicContact CE1-CB 4.42Å; F336-V340 HydrophobicContact CE1-CG2 3.69Å; F336-V340 HydrophobicContact CE2-CG2 3.89Å; F336-V340 HydrophobicContact CZ-CG2 3.47Å; F336-V340 VanDerWaalsContact CZ-CG2 3.47Å; F336-V340 WeakPolarHBondContact O-CB 3.32Å; F336-V340 WeakPolarHBondContact O-CG2 3.42Å; F336-V340 PolarHBondContact O-N 2.75Å; F336-L357 HydrophobicContact CE1-CD1 4.22Å; F336-L357 HydrophobicContact CE2-CD1 4.11Å; F336-L357 HydrophobicContact CZ-CD1 3.37Å
337	D	96.6	Very high	98.1	Very high	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.015	C	C	.	.	H	α-helix	trans	-55.9	-51.2	175.2	-106.8	-13.9	0	0	0	110.1	F267 N281 S333 A339 V340 Y341	F267-D337 HydrophobicContact CE1-CB 3.7Å; F267-D337 HydrophobicContact CZ-CB 4.07Å; N281-D337 PolarHBondContact ND2-OD2 3.28Å; S333-D337 PolarHBondContact O-N 3.48Å; D337-A339 VanDerWaalsContact C-N 3.35Å; D337-A339 PolarHBondContact O-N 2.86Å; D337-V340 PolarHBondContact O-N 3.13Å; D337-Y341 HydrophobicContact CB-CD2 4.43Å; D337-Y341 HydrophobicContact CB-CE2 3.97Å; D337-Y341 WeakPolarHBondContact O-CB 3.39Å; D337-Y341 WeakPolarHBondContact O-CD2 3.29Å; D337-Y341 VanDerWaalsContact O-CG 3.23Å; D337-Y341 PolarHBondContact O-N 2.71Å; D337-Y341 WeakPolarHBondContact OD1-CE2 3.46Å; D337-Y341 PolarHBondContact OD1-OH 3.16Å
338	L	98.6	Very high	98.1	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-59.4	-44.9	-179.8	-174.9	69.3	0	0	0	111.5	F209 L210 A213 M214 W247 F267 P334 F336 S342	F209-L338 HydrophobicContact CE1-CD1 4.48Å; F209-L338 HydrophobicContact CE1-CD2 3.7Å; F209-L338 HydrophobicContact CZ-CD2 3.99Å; L210-L338 HydrophobicContact CD2-CD2 3.91Å; A213-L338 HydrophobicContact CB-CD2 4.21Å; M214-L338 HydrophobicContact CE-CB 3.82Å; M214-L338 HydrophobicContact CE-CD2 3.53Å; M214-L338 HydrophobicContact CE-CG 3.74Å; M214-L338 HydrophobicContact CG-CD2 4.3Å; W247-L338 HydrophobicContact CD2-CD1 3.69Å; W247-L338 VanDerWaalsContact CE2-CD1 3.48Å; W247-L338 HydrophobicContact CE3-CD1 4.3Å; W247-L338 HydrophobicContact CG-CD1 3.9Å; W247-L338 HydrophobicContact CZ2-CD1 3.95Å; F267-L338 HydrophobicContact CE2-CD1 4.32Å; P334-L338 WeakPolarHBondContact O-CB 3.29Å; P334-L338 PolarHBondContact O-N 3.12Å; P334-L338 VanDerWaalsContact O-N 3.1Å; F336-L338 VanDerWaalsContact C-N 3.35Å; F336-L338 PolarHBondContact O-N 2.87Å; L338-S342 WeakPolarHBondContact O-CB 3.24Å; L338-S342 PolarHBondContact O-N 2.94Å; L338-S342 PolarHBondContact O-OG 2.79Å
339	A	98.8	Very high	97.9	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65	-49	-179.3	0	0	0	0	0	112.2	L126 M214 L219 L223 E335 F336 D337 S342 L343	L126-A339 HydrophobicContact CD1-CB 4.07Å; L126-A339 HydrophobicContact CD2-CB 4.49Å; M214-A339 HydrophobicContact CE-CB 3.96Å; L219-A339 HydrophobicContact CD2-CB 3.44Å; L219-A339 VanDerWaalsContact CD2-CB 3.44Å; L223-A339 HydrophobicContact CD2-CB 3.7Å; E335-A339 WeakPolarHBondContact O-CB 3.39Å; E335-A339 PolarHBondContact O-N 2.86Å; F336-A339 PolarHBondContact O-N 3.03Å; D337-A339 VanDerWaalsContact C-N 3.35Å; D337-A339 PolarHBondContact O-N 2.86Å; A339-S342 PolarHBondContact O-N 2.88Å; A339-L343 VanDerWaalsContact O-CB 3.32Å; A339-L343 WeakPolarHBondContact O-CB 3.18Å; A339-L343 PolarHBondContact O-N 2.78Å
340	V	98.6	Very high	97.6	Very high	1 Å²	1	9.7 Å²	9.7	1%	0.006	6%	0.059	C	C	.	.	H	α-helix	trans	-65.6	-43.9	-177	164.1	0	0	0	0	111.2	L126 F336 D337 C344 L355 I364	L126-V340 HydrophobicContact CD1-CG2 4.07Å; F336-V340 HydrophobicContact CD1-CG2 4.22Å; F336-V340 HydrophobicContact CD2-CG2 4.42Å; F336-V340 HydrophobicContact CE1-CB 4.42Å; F336-V340 HydrophobicContact CE1-CG2 3.69Å; F336-V340 HydrophobicContact CE2-CG2 3.89Å; F336-V340 HydrophobicContact CZ-CG2 3.47Å; F336-V340 VanDerWaalsContact CZ-CG2 3.47Å; F336-V340 WeakPolarHBondContact O-CB 3.32Å; F336-V340 WeakPolarHBondContact O-CG2 3.42Å; F336-V340 PolarHBondContact O-N 2.75Å; D337-V340 PolarHBondContact O-N 3.13Å; V340-C344 WeakPolarHBondContact O-CB 3.5Å; V340-C344 PolarHBondContact O-N 3.26Å; V340-C344 PolarHBondContact O-SG 3.44Å; V340-L355 HydrophobicContact CG1-CD1 3.31Å; V340-I364 HydrophobicContact CG1-CD1 4.37Å; V340-I364 HydrophobicContact CG1-CG1 3.88Å
341	Y	98.8	Very high	97.4	Very high	1 Å²	1	16.4 Å²	16.4	0%	0.004	9%	0.089	C	C	.	.	H	α-helix	trans	-66.7	-38.6	176.4	-60.6	-29.7	0	0	0	111.9	W247 I266 F267 I329 D337 C344 Y345 I364 A384	W247-Y341 VanDerWaalsContact CH2-CB 3.49Å; W247-Y341 HydrophobicContact CH2-CD2 4.02Å; W247-Y341 HydrophobicContact CH2-CG 4.22Å; I266-Y341 HydrophobicContact CG2-CD2 4.28Å; I266-Y341 HydrophobicContact CG2-CE2 4.17Å; F267-Y341 HydrophobicContact CE1-CE2 4.48Å; F267-Y341 HydrophobicContact CZ-CD2 4.04Å; F267-Y341 HydrophobicContact CZ-CE2 4.28Å; I329-Y341 HydrophobicContact CD1-CE1 4.31Å; D337-Y341 HydrophobicContact CB-CD2 4.43Å; D337-Y341 HydrophobicContact CB-CE2 3.97Å; D337-Y341 WeakPolarHBondContact O-CB 3.39Å; D337-Y341 WeakPolarHBondContact O-CD2 3.29Å; D337-Y341 VanDerWaalsContact O-CG 3.23Å; D337-Y341 PolarHBondContact O-N 2.71Å; D337-Y341 WeakPolarHBondContact OD1-CE2 3.46Å; D337-Y341 PolarHBondContact OD1-OH 3.16Å; Y341-C344 PolarHBondContact O-N 3.42Å; Y341-Y345 WeakPolarHBondContact O-CB 3.21Å; Y341-Y345 PolarHBondContact O-N 2.84Å; Y341-I364 HydrophobicContact CD1-CD1 4.46Å; Y341-I364 HydrophobicContact CD1-CG2 3.71Å; Y341-I364 HydrophobicContact CE1-CD1 3.96Å; Y341-I364 HydrophobicContact CE1-CG2 4.11Å; Y341-A384 HydrophobicContact CD1-CB 3.9Å; Y341-A384 HydrophobicContact CD2-CB 4.17Å; Y341-A384 HydrophobicContact CG-CB 3.69Å
342	S	98.6	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-65	-47.9	175.9	-60.5	0	0	0	0	111.8	L243 W247 L338 A339 C344 Y345 I346	L243-S342 WeakPolarHBondContact CD2-OG 3.36Å; W247-S342 PolarHBondContact NE1-OG 3.2Å; L338-S342 WeakPolarHBondContact O-CB 3.24Å; L338-S342 PolarHBondContact O-N 2.94Å; L338-S342 PolarHBondContact O-OG 2.79Å; A339-S342 PolarHBondContact O-N 2.88Å; S342-C344 VanDerWaalsContact C-N 3.28Å; S342-C344 PolarHBondContact O-N 3.36Å; S342-Y345 PolarHBondContact O-N 2.87Å; S342-I346 VanDerWaalsContact O-CB 3.31Å; S342-I346 WeakPolarHBondContact O-CB 3.42Å; S342-I346 WeakPolarHBondContact O-CD1 3.08Å; S342-I346 WeakPolarHBondContact O-CG1 3.23Å; S342-I346 PolarHBondContact O-N 2.58Å
343	L	98.7	Very high	97.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-52.1	-50.2	174.5	173.5	62.9	0	0	0	110.4	I119 M122 L126 L223 F226 A339 T347	I119-L343 HydrophobicContact CG2-CD2 4.4Å; M122-L343 HydrophobicContact CB-CD2 4Å; M122-L343 HydrophobicContact CG-CD1 4.27Å; M122-L343 HydrophobicContact CG-CD2 3.82Å; L126-L343 HydrophobicContact CD1-CD2 4.27Å; L223-L343 HydrophobicContact CD1-CB 3.93Å; L223-L343 HydrophobicContact CD1-CD1 4.03Å; L223-L343 HydrophobicContact CD1-CG 4.45Å; F226-L343 HydrophobicContact CD1-CD1 4.19Å; F226-L343 HydrophobicContact CE1-CD1 3.8Å; A339-L343 VanDerWaalsContact O-CB 3.32Å; A339-L343 WeakPolarHBondContact O-CB 3.18Å; A339-L343 PolarHBondContact O-N 2.78Å; L343-T347 HydrophobicContact CD1-CG2 3.89Å; L343-T347 VanDerWaalsContact O-CB 3.32Å; L343-T347 WeakPolarHBondContact O-CB 3.46Å; L343-T347 WeakPolarHBondContact O-CG2 3.4Å; L343-T347 PolarHBondContact O-N 2.76Å; L343-T347 PolarHBondContact O-OG1 3.19Å
344	C	98.6	Very high	97.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.9	-41.1	-179.3	-77.8	0	0	0	0	113.1	V340 Y341 S342 R348 C353 I364 T366	V340-C344 WeakPolarHBondContact O-CB 3.5Å; V340-C344 PolarHBondContact O-N 3.26Å; V340-C344 PolarHBondContact O-SG 3.44Å; Y341-C344 PolarHBondContact O-N 3.42Å; S342-C344 VanDerWaalsContact C-N 3.28Å; S342-C344 PolarHBondContact O-N 3.36Å; C344-R348 CarbonylContact O-C 3.6Å; C344-R348 VanDerWaalsContact O-C 3.3Å; C344-R348 VanDerWaalsContact O-CA 3.3Å; C344-R348 WeakPolarHBondContact O-CA 3.49Å; C344-R348 WeakPolarHBondContact O-CB 3.2Å; C344-R348 PolarHBondContact O-N 2.74Å; C344-C353 WeakPolarHBondContact CA-SG 3.43Å; C344-C353 HydrophobicContact CB-CB 3.36Å; C344-C353 WeakPolarHBondContact CB-SG 3.35Å; C344-C353 WeakPolarHBondContact SG-CB 3.42Å; C344-C353 CovalentContact SG-SG 2.04Å; C344-C353 PolarHBondContact SG-SG 3.17Å; C344-I364 HydrophobicContact CB-CB 4.34Å; C344-I364 HydrophobicContact CB-CG2 4.1Å; C344-T366 HydrophobicContact CB-CG2 4Å
345	Y	98.1	Very high	97.2	Very high	13 Å²	13	26.9 Å²	26.9	5%	0.051	14%	0.136	C	C	.	.	H	α-helix	trans	-69.8	-41.5	179.6	-174.2	-108.6	0	0	0	112.3	M246 Y341 S342 T347 P349 T368 K379 Y380 I381	M246-Y345 HydrophobicContact CE-CD1 3.94Å; M246-Y345 HydrophobicContact CE-CE1 4.32Å; M246-Y345 HydrophobicContact CG-CD1 3.99Å; M246-Y345 HydrophobicContact CG-CE1 4.04Å; M246-Y345 HydrophobicContact SD-CD1 3.5Å; M246-Y345 VanDerWaalsContact SD-CD1 3.5Å; M246-Y345 HydrophobicContact SD-CE1 4.11Å; M246-Y345 HydrophobicContact SD-CG 4.46Å; Y341-Y345 WeakPolarHBondContact O-CB 3.21Å; Y341-Y345 PolarHBondContact O-N 2.84Å; S342-Y345 PolarHBondContact O-N 2.87Å; Y345-T347 VanDerWaalsContact C-N 3.34Å; Y345-T347 PolarHBondContact O-N 3.26Å; Y345-P349 HydrophobicContact CD2-CB 4.36Å; Y345-P349 HydrophobicContact CE2-CB 4.17Å; Y345-P349 VanDerWaalsContact O-CA 3.26Å; Y345-P349 WeakPolarHBondContact O-CA 3.39Å; Y345-P349 VanDerWaalsContact O-CB 3.31Å; Y345-P349 WeakPolarHBondContact O-CB 3.41Å; Y345-P349 VanDerWaalsContact O-CD 3.26Å; Y345-P349 WeakPolarHBondContact O-CD 3.24Å; Y345-P349 VanDerWaalsContact O-N 3.16Å; Y345-T368 VanDerWaalsContact CE2-OG1 3.3Å; Y345-T368 WeakPolarHBondContact CE2-OG1 3.42Å; Y345-T368 WeakPolarHBondContact OH-CG2 3.36Å; Y345-T368 PolarHBondContact OH-OG1 3.45Å; Y345-K379 PolarHBondContact OH-O 3.27Å; Y345-Y380 VanDerWaalsContact OH-C 3.31Å; Y345-Y380 PolarHBondContact OH-O 3.31Å; Y345-I381 HydrophobicContact CD1-CB 4.14Å; Y345-I381 HydrophobicContact CD1-CD1 4.46Å; Y345-I381 HydrophobicContact CD1-CG1 4.38Å; Y345-I381 HydrophobicContact CD2-CB 4.21Å; Y345-I381 HydrophobicContact CD2-CD1 4.05Å; Y345-I381 HydrophobicContact CD2-CG1 3.72Å; Y345-I381 HydrophobicContact CE1-CB 4.14Å; Y345-I381 HydrophobicContact CE2-CB 4.22Å; Y345-I381 HydrophobicContact CE2-CG1 4.06Å; Y345-I381 HydrophobicContact CG-CB 4.17Å; Y345-I381 HydrophobicContact CG-CD1 3.84Å; Y345-I381 HydrophobicContact CG-CG1 3.9Å
346	I	97	Very high	97.1	Very high	24 Å²	24	27.9 Å²	27.9	12%	0.123	14%	0.143	C	C	.	.	H	α-helix	trans	-65.6	-37.9	178.5	-67.7	162.6	0	0	0	111.2	L227 Y233 M246 S342	L227-I346 HydrophobicContact CD1-CD1 3.85Å; L227-I346 HydrophobicContact CD2-CG2 4Å; Y233-I346 HydrophobicContact CE2-CD1 4.14Å; Y233-I346 VanDerWaalsContact OH-CD1 3.32Å; Y233-I346 WeakPolarHBondContact OH-CD1 3.4Å; M246-I346 HydrophobicContact CE-CD1 4.18Å; M246-I346 HydrophobicContact CE-CG1 3.76Å; S342-I346 VanDerWaalsContact O-CB 3.31Å; S342-I346 WeakPolarHBondContact O-CB 3.42Å; S342-I346 WeakPolarHBondContact O-CD1 3.08Å; S342-I346 WeakPolarHBondContact O-CG1 3.23Å; S342-I346 PolarHBondContact O-N 2.58Å
347	T	96.1	Very high	97	Very high	11 Å²	11	28 Å²	28	7%	0.067	14%	0.143	C	C	.	.	H	α-helix	trans	-92.6	-29.7	-175.1	60.7	0	0	0	0	113.8	I114 I119 L343 Y345	I114-T347 HydrophobicContact CB-CG2 4.13Å; I114-T347 HydrophobicContact CD1-CG2 3.67Å; I114-T347 HydrophobicContact CG1-CG2 4.49Å; I114-T347 HydrophobicContact CG2-CG2 3.91Å; I119-T347 HydrophobicContact CD1-CG2 4.33Å; I119-T347 WeakPolarHBondContact CD1-OG1 3.45Å; I119-T347 HydrophobicContact CG1-CG2 4.35Å; L343-T347 HydrophobicContact CD1-CG2 3.89Å; L343-T347 VanDerWaalsContact O-CB 3.32Å; L343-T347 WeakPolarHBondContact O-CB 3.46Å; L343-T347 WeakPolarHBondContact O-CG2 3.4Å; L343-T347 PolarHBondContact O-N 2.76Å; L343-T347 PolarHBondContact O-OG1 3.19Å; Y345-T347 VanDerWaalsContact C-N 3.34Å; Y345-T347 PolarHBondContact O-N 3.26Å
348	R	95.7	Very high	96.9	Very high	46 Å²	46	29.7 Å²	29.7	17%	0.174	16%	0.162	C	C	.	.	S	Bend	trans	-140.8	57.3	-173.6	-60.9	-65.2	-178.7	-87.9	-2.1	110.8	I114 D116 I119 C344 G350 K351 C353 T366	I114-R348 VanDerWaalsContact O-CZ 3.31Å; I114-R348 PolarHBondContact O-NH1 3.39Å; I114-R348 PolarHBondContact O-NH2 2.71Å; D116-R348 IonicContact OD1-CZ 3.22Å; D116-R348 IonicContact OD1-NE 2.89Å; D116-R348 PolarHBondContact OD1-NE 3.13Å; D116-R348 IonicContact OD1-NH2 2.77Å; D116-R348 PolarHBondContact OD1-NH2 2.89Å; I119-R348 HydrophobicContact CD1-CG 4.08Å; I119-R348 VanDerWaalsContact CD1-CZ 3.47Å; C344-R348 CarbonylContact O-C 3.6Å; C344-R348 VanDerWaalsContact O-C 3.3Å; C344-R348 VanDerWaalsContact O-CA 3.3Å; C344-R348 WeakPolarHBondContact O-CA 3.49Å; C344-R348 WeakPolarHBondContact O-CB 3.2Å; C344-R348 PolarHBondContact O-N 2.74Å; R348-G350 PolarHBondContact O-N 3.02Å; R348-K351 HydrophobicContact CB-CB 4.26Å; R348-K351 PolarHBondContact O-N 2.92Å; R348-C353 HydrophobicContact CB-CB 4.25Å; R348-C353 HydrophobicContact CG-CB 4.44Å; R348-T366 PolarHBondContact O-OG1 2.98Å
349	P	94.4	Very high	96.8	Very high	69 Å²	69	32.4 Å²	32.4	45%	0.448	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	125.1	-175.3	23.9	-33.5	0	0	0	111.2	Y345 K351	Y345-P349 HydrophobicContact CD2-CB 4.36Å; Y345-P349 HydrophobicContact CE2-CB 4.17Å; Y345-P349 VanDerWaalsContact O-CA 3.26Å; Y345-P349 WeakPolarHBondContact O-CA 3.39Å; Y345-P349 VanDerWaalsContact O-CB 3.31Å; Y345-P349 WeakPolarHBondContact O-CB 3.41Å; Y345-P349 VanDerWaalsContact O-CD 3.26Å; Y345-P349 WeakPolarHBondContact O-CD 3.24Å; Y345-P349 VanDerWaalsContact O-N 3.16Å; P349-K351 PolarHBondContact O-N 3.4Å
350	G	92.7	Very high	96.7	Very high	33 Å²	33	36.9 Å²	36.9	34%	0.34	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.3	4.8	178.5	0	0	0	0	0	115	R348 T366	R348-G350 PolarHBondContact O-N 3.02Å; G350-T366 CarbonylContact C-O 3.49Å; G350-T366 VanDerWaalsContact CA-O 3.24Å; G350-T366 WeakPolarHBondContact CA-O 3.39Å; G350-T366 PolarHBondContact N-OG1 2.86Å
351	K	93.4	Very high	96.7	Very high	141 Å²	141	41.9 Å²	41.9	61%	0.613	24%	0.241	S	C	*	.	S	Bend	trans	-117.6	162.4	-176.6	-64.6	179.6	-176.2	176.6	0	111	R348 P349 C353	R348-K351 HydrophobicContact CB-CB 4.26Å; R348-K351 PolarHBondContact O-N 2.92Å; P349-K351 PolarHBondContact O-N 3.4Å; K351-C353 PolarHBondContact O-N 2.95Å
352	Q	95.6	Very high	96.6	Very high	112 Å²	112	42.3 Å²	42.3	52%	0.523	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	126.2	167.7	-73.2	-172	-16.7	0	0	110	V363	Q352-V363 HydrophobicContact CB-CG1 3.85Å; Q352-V363 HydrophobicContact CG-CG1 3.97Å
353	C	97.9	Very high	96.6	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	115.5	177.2	175.6	0	0	0	0	108.3	C344 R348 K351 L355 V363 I364	C344-C353 WeakPolarHBondContact CA-SG 3.43Å; C344-C353 HydrophobicContact CB-CB 3.36Å; C344-C353 WeakPolarHBondContact CB-SG 3.35Å; C344-C353 WeakPolarHBondContact SG-CB 3.42Å; C344-C353 CovalentContact SG-SG 2.04Å; C344-C353 PolarHBondContact SG-SG 3.17Å; R348-C353 HydrophobicContact CB-CB 4.25Å; R348-C353 HydrophobicContact CG-CB 4.44Å; K351-C353 PolarHBondContact O-N 2.95Å; C353-L355 VanDerWaalsContact SG-CD2 3.52Å; C353-V363 WeakPolarHBondContact O-CA 3.48Å; C353-I364 HydrophobicContact CB-CB 4.38Å; C353-I364 PolarHBondContact N-O 2.82Å; C353-I364 PolarHBondContact O-N 3.42Å
354	K	97.6	Very high	96.6	Very high	105 Å²	105	44.1 Å²	44.1	46%	0.457	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	115.9	-175.8	-65.2	176.4	-177.7	172.6	0	109.6	V363	K354-V363 HydrophobicContact CG-CG2 4.3Å
355	L	98.3	Very high	96.5	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	169.7	-178.3	-54.9	-172.4	0	0	0	111.1	I119 V340 C353 L362 I364	I119-L355 HydrophobicContact CG2-CD2 3.3Å; V340-L355 HydrophobicContact CG1-CD1 3.31Å; C353-L355 VanDerWaalsContact SG-CD2 3.52Å; L355-L362 WeakPolarHBondContact CA-O 3.39Å; L355-L362 HydrophobicContact CB-CB 4.25Å; L355-L362 PolarHBondContact N-O 3.37Å; L355-L362 PolarHBondContact O-N 3.46Å; L355-L362 VanDerWaalsContact O-N 3.13Å; L355-I364 HydrophobicContact CD1-CD1 4.49Å; L355-I364 HydrophobicContact CD1-CG1 3.54Å; L355-I364 HydrophobicContact CG-CG1 4.28Å
356	S	97.1	Very high	96.5	Very high	24 Å²	24	44.6 Å²	44.6	17%	0.168	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.4	164.1	-167.5	0	0	0	0	108.6	S123 E124 K360	S123-S356 CarbonylContact C-O 3.48Å; S123-S356 WeakPolarHBondContact CB-O 3.39Å; S123-S356 PolarHBondContact OG-N 2.94Å; S123-S356 PolarHBondContact OG-O 3.01Å; E124-S356 PolarHBondContact N-O 3.1Å; E124-S356 WeakPolarHBondContact OE1-CB 2.93Å; E124-S356 PolarHBondContact OE1-OG 3.16Å; S356-K360 WeakPolarHBondContact CA-O 3.36Å
357	L	95.9	Very high	96.4	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	114.4	-179	-166	80.2	0	0	0	108	E124 Y127 W305 P309 F336 G359 K360 L362	E124-L357 PolarHBondContact OE1-N 2.77Å; E124-L357 VanDerWaalsContact OE1-N 3.12Å; Y127-L357 HydrophobicContact CD2-CD1 3.42Å; Y127-L357 VanDerWaalsContact CD2-CD1 3.42Å; Y127-L357 HydrophobicContact CD2-CD2 4.34Å; Y127-L357 HydrophobicContact CD2-CG 3.52Å; Y127-L357 HydrophobicContact CE2-CD1 4.29Å; Y127-L357 HydrophobicContact CE2-CD2 4.47Å; Y127-L357 HydrophobicContact CE2-CG 3.91Å; Y127-L357 HydrophobicContact CG-CD1 3.87Å; Y127-L357 HydrophobicContact CG-CG 4.15Å; W305-L357 HydrophobicContact CD2-CD2 4.34Å; W305-L357 HydrophobicContact CH2-CD2 4.49Å; W305-L357 HydrophobicContact CZ2-CB 3.7Å; W305-L357 HydrophobicContact CZ2-CD2 3.87Å; W305-L357 HydrophobicContact CZ2-CG 4.33Å; W305-L357 PolarHBondContact NE1-O 2.7Å; P309-L357 HydrophobicContact CB-CD2 4.4Å; P309-L357 HydrophobicContact CG-CD1 4.47Å; P309-L357 HydrophobicContact CG-CD2 4.02Å; F336-L357 HydrophobicContact CE1-CD1 4.22Å; F336-L357 HydrophobicContact CE2-CD1 4.11Å; F336-L357 HydrophobicContact CZ-CD1 3.37Å; L357-G359 PolarHBondContact O-N 3.44Å; L357-G359 VanDerWaalsContact O-N 3.13Å; L357-K360 PolarHBondContact N-O 3.06Å; L357-K360 PolarHBondContact O-N 2.93Å; L357-L362 HydrophobicContact CD2-CD2 4.3Å
358	G	95.3	Very high	96.3	Very high	37 Å²	37	50.8 Å²	50.8	38%	0.381	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	33.1	-178.1	0	0	0	0	0	113.4	E124 K360	E124-G358 PolarHBondContact OE1-N 3.44Å; E124-G358 WeakPolarHBondContact OE2-CA 3.29Å; E124-G358 PolarHBondContact OE2-N 2.86Å; G358-K360 VanDerWaalsContact C-N 3.31Å; G358-K360 PolarHBondContact O-N 3.1Å
359	G	95.9	Very high	96.1	Very high	57 Å²	57	49.9 Å²	49.9	59%	0.588	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	8.5	-176.3	0	0	0	0	0	115.5	E124 L357	E124-G359 WeakPolarHBondContact OE1-CA 3.34Å; E124-G359 PolarHBondContact OE1-N 3.42Å; E124-G359 PolarHBondContact OE2-N 2.98Å; L357-G359 PolarHBondContact O-N 3.44Å; L357-G359 VanDerWaalsContact O-N 3.13Å
360	K	97.2	Very high	95.9	Very high	93 Å²	93	51.7 Å²	51.7	40%	0.404	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	142.9	177.4	-57.2	-60.9	-176.2	-174	0	111	P304 W305 S356 L357 G358	P304-K360 HydrophobicContact CB-CD 4.28Å; P304-K360 HydrophobicContact CB-CG 4.37Å; P304-K360 HydrophobicContact CG-CB 3.92Å; P304-K360 HydrophobicContact CG-CD 4.21Å; P304-K360 HydrophobicContact CG-CG 3.93Å; W305-K360 HydrophobicContact CZ2-CB 3.57Å; S356-K360 WeakPolarHBondContact CA-O 3.36Å; L357-K360 PolarHBondContact N-O 3.06Å; L357-K360 PolarHBondContact O-N 2.93Å; G358-K360 VanDerWaalsContact C-N 3.31Å; G358-K360 PolarHBondContact O-N 3.1Å
361	P	96.9	Very high	95.7	Very high	106 Å²	106	57.6 Å²	57.6	69%	0.688	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	135.5	179.3	29.2	-34	0	0	0	111
362	L	97.3	Very high	95.4	Very high	10 Å²	10	52.7 Å²	52.7	5%	0.052	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.9	169.6	175.2	60	0	0	0	108.4	W305 V311 I329 L355 L357 I364 P386	W305-L362 HydrophobicContact CH2-CB 4.08Å; W305-L362 HydrophobicContact CH2-CD1 4.27Å; W305-L362 HydrophobicContact CZ2-CB 4.33Å; V311-L362 HydrophobicContact CG2-CD1 3.83Å; V311-L362 HydrophobicContact CG2-CD2 4.46Å; I329-L362 HydrophobicContact CD1-CD2 4.33Å; L355-L362 WeakPolarHBondContact CA-O 3.39Å; L355-L362 HydrophobicContact CB-CB 4.25Å; L355-L362 PolarHBondContact N-O 3.37Å; L355-L362 PolarHBondContact O-N 3.46Å; L355-L362 VanDerWaalsContact O-N 3.13Å; L357-L362 HydrophobicContact CD2-CD2 4.3Å; L362-I364 HydrophobicContact CD1-CD1 4.39Å; L362-I364 HydrophobicContact CD2-CD1 3.99Å; L362-I364 HydrophobicContact CG-CD1 4.05Å; L362-P386 HydrophobicContact CD1-CB 4.17Å
363	V	98.3	Very high	95.1	Very high	39 Å²	39	50.2 Å²	50.2	24%	0.236	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.4	172.3	-180	0	0	0	0	108.3	Q352 C353 K354 P386 A387	Q352-V363 HydrophobicContact CB-CG1 3.85Å; Q352-V363 HydrophobicContact CG-CG1 3.97Å; C353-V363 WeakPolarHBondContact O-CA 3.48Å; K354-V363 HydrophobicContact CG-CG2 4.3Å; V363-P386 CarbonylContact O-C 3.3Å; V363-P386 WeakPolarHBondContact O-CA 3.34Å; V363-A387 HydrophobicContact CB-CB 4.1Å; V363-A387 HydrophobicContact CG1-CB 3.94Å; V363-A387 PolarHBondContact O-N 2.86Å
364	I	98.6	Very high	94.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.3	169.6	-59.7	-51.7	0	0	0	108	I329 V340 Y341 C344 C353 L355 L362 T366 P386	I329-I364 HydrophobicContact CD1-CD1 4.41Å; V340-I364 HydrophobicContact CG1-CD1 4.37Å; V340-I364 HydrophobicContact CG1-CG1 3.88Å; Y341-I364 HydrophobicContact CD1-CD1 4.46Å; Y341-I364 HydrophobicContact CD1-CG2 3.71Å; Y341-I364 HydrophobicContact CE1-CD1 3.96Å; Y341-I364 HydrophobicContact CE1-CG2 4.11Å; C344-I364 HydrophobicContact CB-CB 4.34Å; C344-I364 HydrophobicContact CB-CG2 4.1Å; C353-I364 HydrophobicContact CB-CB 4.38Å; C353-I364 PolarHBondContact N-O 2.82Å; C353-I364 PolarHBondContact O-N 3.42Å; L355-I364 HydrophobicContact CD1-CD1 4.49Å; L355-I364 HydrophobicContact CD1-CG1 3.54Å; L355-I364 HydrophobicContact CG-CG1 4.28Å; L362-I364 HydrophobicContact CD1-CD1 4.39Å; L362-I364 HydrophobicContact CD2-CD1 3.99Å; L362-I364 HydrophobicContact CG-CD1 4.05Å; I364-T366 HydrophobicContact CG2-CG2 4.06Å; I364-P386 HydrophobicContact CD1-CB 4.29Å; I364-P386 HydrophobicContact CD1-CG 4.21Å
365	Q	97.8	Very high	94	Very high	23 Å²	23	49.7 Å²	49.7	11%	0.107	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	129.4	167.7	179.3	62.7	55.7	0	0	108.2	Y367 A384 F385 A387	Q365-Y367 HydrophobicContact CG-CD2 4.05Å; Q365-Y367 HydrophobicContact CG-CE2 3.36Å; Q365-A384 VanDerWaalsContact O-CA 3.28Å; Q365-A384 WeakPolarHBondContact O-CA 3.19Å; Q365-F385 HydrophobicContact CB-CD2 4.42Å; Q365-F385 HydrophobicContact CB-CE2 4.03Å; Q365-F385 HydrophobicContact CB-CZ 4.29Å; Q365-F385 HydrophobicContact CG-CE2 4.39Å; Q365-F385 HydrophobicContact CG-CZ 4.2Å; Q365-F385 PolarHBondContact N-O 2.98Å; Q365-F385 PolarHBondContact O-N 2.76Å; Q365-A387 HydrophobicContact CB-CB 4.43Å
366	T	97.3	Very high	93.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	153.7	168.5	68.5	0	0	0	0	110.5	C344 R348 G350 I364 S383 A384	C344-T366 HydrophobicContact CB-CG2 4Å; R348-T366 PolarHBondContact O-OG1 2.98Å; G350-T366 CarbonylContact C-O 3.49Å; G350-T366 VanDerWaalsContact CA-O 3.24Å; G350-T366 WeakPolarHBondContact CA-O 3.39Å; G350-T366 PolarHBondContact N-OG1 2.86Å; I364-T366 HydrophobicContact CG2-CG2 4.06Å; T366-S383 CarbonylContact C-O 3.57Å; T366-S383 VanDerWaalsContact CA-O 3.25Å; T366-S383 WeakPolarHBondContact CA-O 3.47Å; T366-A384 HydrophobicContact CG2-CB 4.12Å
367	Y	95.7	Very high	92.6	Very high	118 Å²	118	56.5 Å²	56.5	46%	0.463	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	140.2	172.4	-70.5	-85.7	0	0	0	109.5	Q365 G382 S383 F385	Q365-Y367 HydrophobicContact CG-CD2 4.05Å; Q365-Y367 HydrophobicContact CG-CE2 3.36Å; Y367-G382 WeakPolarHBondContact O-CA 3.38Å; Y367-G382 PolarHBondContact O-N 3.15Å; Y367-S383 PolarHBondContact N-O 2.85Å; Y367-S383 PolarHBondContact O-N 3.04Å; Y367-F385 HydrophobicContact CD2-CE1 4.17Å; Y367-F385 AromaticContact CE2-CE1 3.83Å; Y367-F385 HydrophobicContact CE2-CE1 3.83Å; Y367-F385 AromaticContact CE2-CZ 3.77Å; Y367-F385 HydrophobicContact CE2-CZ 3.77Å
368	T	94.1	Very high	92.3	Very high	47 Å²	47	59.9 Å²	59.9	29%	0.288	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	134.1	175.9	-64.2	0	0	0	0	109.7	Y345 D370 K379	Y345-T368 VanDerWaalsContact CE2-OG1 3.3Å; Y345-T368 WeakPolarHBondContact CE2-OG1 3.42Å; Y345-T368 WeakPolarHBondContact OH-CG2 3.36Å; Y345-T368 PolarHBondContact OH-OG1 3.45Å; T368-D370 PolarHBondContact O-N 3.29Å; T368-K379 HydrophobicContact CG2-CB 3.44Å; T368-K379 VanDerWaalsContact CG2-CB 3.44Å; T368-K379 HydrophobicContact CG2-CG 3.98Å
369	W	91.8	Very high	92.1	Very high	26 Å²	26	61.7 Å²	61.7	10%	0.098	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	108.5	163.7	-177.6	-96.8	0	0	0	109.8	Y251 S252 R253 K371 S372 Y380	Y251-W369 HydrophobicContact CD1-CG 4.46Å; Y251-W369 HydrophobicContact CD2-CB 4.3Å; Y251-W369 AromaticContact CD2-CD1 3.67Å; Y251-W369 AromaticContact CD2-CD2 3.37Å; Y251-W369 HydrophobicContact CD2-CD2 3.37Å; Y251-W369 AromaticContact CD2-CE2 3.47Å; Y251-W369 VanDerWaalsContact CD2-CE2 3.47Å; Y251-W369 AromaticContact CD2-CE3 3.91Å; Y251-W369 HydrophobicContact CD2-CE3 3.91Å; Y251-W369 AromaticContact CD2-CG 3.53Å; Y251-W369 HydrophobicContact CD2-CG 3.53Å; Y251-W369 HydrophobicContact CD2-CZ2 4.09Å; Y251-W369 HydrophobicContact CD2-CZ3 4.45Å; Y251-W369 AromaticContact CD2-NE1 3.64Å; Y251-W369 HydrophobicContact CE2-CB 4.2Å; Y251-W369 AromaticContact CE2-CD2 3.66Å; Y251-W369 HydrophobicContact CE2-CD2 3.66Å; Y251-W369 AromaticContact CE2-CE3 3.8Å; Y251-W369 HydrophobicContact CE2-CE3 3.8Å; Y251-W369 AromaticContact CE2-CG 3.83Å; Y251-W369 HydrophobicContact CE2-CG 3.83Å; Y251-W369 HydrophobicContact CE2-CZ3 4.44Å; Y251-W369 AromaticContact CG-CD1 3.65Å; Y251-W369 HydrophobicContact CG-CD2 4.16Å; Y251-W369 AromaticContact CG-CG 3.88Å; Y251-W369 HydrophobicContact CG-CG 3.88Å; Y251-W369 AromaticContact CG-NE1 3.8Å; S252-W369 WeakPolarHBondContact O-CH2 3.45Å; S252-W369 WeakPolarHBondContact O-CZ2 3.45Å; R253-W369 HydrophobicContact CG-CE3 4.48Å; R253-W369 HydrophobicContact CG-CH2 4.04Å; R253-W369 HydrophobicContact CG-CZ3 3.87Å; W369-K371 HydrophobicContact CH2-CD 3.76Å; W369-K371 HydrophobicContact CH2-CG 4.36Å; W369-K371 HydrophobicContact CZ2-CB 3.82Å; W369-K371 HydrophobicContact CZ2-CD 3.6Å; W369-K371 HydrophobicContact CZ2-CG 3.91Å; W369-S372 VanDerWaalsContact CD1-OG 3.3Å; W369-S372 PolarHBondContact NE1-OG 3.29Å; W369-S372 VanDerWaalsContact NE1-OG 3.12Å; W369-Y380 PolarHBondContact N-O 3.1Å
370	D	88.6	Confident	92	Very high	108 Å²	108	59.9 Å²	59.9	58%	0.578	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.3	-13.9	-169	63.9	-12.1	0	0	0	114.5	T368 S372 K379	T368-D370 PolarHBondContact O-N 3.29Å; D370-S372 VanDerWaalsContact C-N 3.32Å; D370-S372 PolarHBondContact O-N 3.41Å; D370-K379 PolarHBondContact O-NZ 3.18Å
371	K	88.4	Confident	91.9	Very high	157 Å²	157	55.4 Å²	55.4	68%	0.683	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	-19.2	-174.3	-54.1	-170.1	-172.7	172.7	0	114.8	W369	W369-K371 HydrophobicContact CH2-CD 3.76Å; W369-K371 HydrophobicContact CH2-CG 4.36Å; W369-K371 HydrophobicContact CZ2-CB 3.82Å; W369-K371 HydrophobicContact CZ2-CD 3.6Å; W369-K371 HydrophobicContact CZ2-CG 3.91Å
372	S	88.4	Confident	91.8	Very high	38 Å²	38	50.6 Å²	50.6	27%	0.266	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	176.5	175.3	56.3	0	0	0	0	109.9	W369 D370 K379 Y380	W369-S372 VanDerWaalsContact CD1-OG 3.3Å; W369-S372 PolarHBondContact NE1-OG 3.29Å; W369-S372 VanDerWaalsContact NE1-OG 3.12Å; D370-S372 VanDerWaalsContact C-N 3.32Å; D370-S372 PolarHBondContact O-N 3.41Å; S372-K379 WeakPolarHBondContact O-CD 3.35Å; S372-K379 PolarHBondContact O-NZ 3.1Å; S372-Y380 WeakPolarHBondContact OG-CE2 3.37Å
373	S	89.3	Confident	91.7	Very high	60 Å²	60	50.6 Å²	50.6	42%	0.42	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	164.6	176.7	50	0	0	0	0	110.6	K378 Y380	S373-K378 CarbonylContact C-O 3.59Å; S373-K378 WeakPolarHBondContact CA-O 3.41Å; S373-K378 WeakPolarHBondContact CB-O 3.49Å; S373-Y380 PolarHBondContact O-OH 2.78Å
374	Y	88.9	Confident	91.7	Very high	18 Å²	18	48.7 Å²	48.7	7%	0.071	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	160.1	169.3	58.9	-86.2	0	0	0	110.9	D242 M245 N376 G377 K378 K379 Y380	D242-Y374 WeakPolarHBondContact OD1-CE2 3.4Å; M245-Y374 HydrophobicContact CB-CD1 4.39Å; M245-Y374 HydrophobicContact CB-CD2 3.35Å; M245-Y374 HydrophobicContact CB-CE1 4.44Å; M245-Y374 HydrophobicContact CB-CE2 3.43Å; M245-Y374 VanDerWaalsContact CB-CE2 3.43Å; M245-Y374 HydrophobicContact CB-CG 3.86Å; M245-Y374 HydrophobicContact CE-CG 4.28Å; M245-Y374 HydrophobicContact CG-CD2 3.99Å; M245-Y374 HydrophobicContact CG-CE2 4.38Å; Y374-N376 PolarHBondContact O-N 2.99Å; Y374-G377 PolarHBondContact O-N 3.46Å; Y374-K378 HydrophobicContact CD1-CB 4.45Å; Y374-K378 HydrophobicContact CD2-CB 4.03Å; Y374-K378 HydrophobicContact CE1-CB 4.07Å; Y374-K378 HydrophobicContact CE2-CB 3.58Å; Y374-K378 HydrophobicContact CE2-CD 3.92Å; Y374-K378 HydrophobicContact CE2-CG 4.38Å; Y374-K378 HydrophobicContact CG-CB 4.44Å; Y374-K378 PolarHBondContact N-O 2.94Å; Y374-K378 PolarHBondContact O-N 3.25Å; Y374-K379 VanDerWaalsContact CE1-C 3.49Å; Y374-K379 WeakPolarHBondContact CE1-O 3.31Å; Y374-Y380 WeakPolarHBondContact CB-OH 3.25Å; Y374-Y380 AromaticContact CD1-CD1 3.52Å; Y374-Y380 HydrophobicContact CD1-CD1 3.52Å; Y374-Y380 HydrophobicContact CD1-CD2 4.09Å; Y374-Y380 AromaticContact CD1-CE1 3.31Å; Y374-Y380 HydrophobicContact CD1-CE1 3.31Å; Y374-Y380 AromaticContact CD1-CE2 3.92Å; Y374-Y380 HydrophobicContact CD1-CE2 3.92Å; Y374-Y380 AromaticContact CD1-CG 3.91Å; Y374-Y380 HydrophobicContact CD1-CG 3.91Å; Y374-Y380 AromaticContact CD1-CZ 3.55Å; Y374-Y380 AromaticContact CE1-CD1 3.78Å; Y374-Y380 HydrophobicContact CE1-CD1 3.78Å; Y374-Y380 HydrophobicContact CE1-CE1 4.03Å; Y374-Y380 HydrophobicContact CE1-CG 4.07Å; Y374-Y380 HydrophobicContact CG-CE1 4Å
375	G	83.2	Confident	91.6	Very high	75 Å²	75	50.9 Å²	50.9	77%	0.773	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	-127.5	179.2	0	0	0	0	0	112.1	G377	G375-G377 PolarHBondContact O-N 3.28Å
376	N	80.8	Confident	91.6	Very high	131 Å²	131	49.8 Å²	49.8	70%	0.701	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	39.9	-176.9	-60.4	-19.6	0	0	0	113.4	Y374	Y374-N376 PolarHBondContact O-N 2.99Å
377	G	85.8	Confident	91.6	Very high	42 Å²	42	51.5 Å²	51.5	43%	0.433	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.2	12.9	-179.9	0	0	0	0	0	114.9	Y374 G375	Y374-G377 PolarHBondContact O-N 3.46Å; G375-G377 PolarHBondContact O-N 3.28Å
378	K	88.1	Confident	91.4	Very high	73 Å²	73	47.2 Å²	47.2	32%	0.317	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	153.1	174.3	-68.8	-171.9	179.8	-176.2	0	110.8	D242 S373 Y374	D242-K378 WeakPolarHBondContact OD1-CD 3.37Å; D242-K378 WeakPolarHBondContact OD1-CE 3.33Å; D242-K378 IonicContact OD1-NZ 2.97Å; D242-K378 PolarHBondContact OD1-NZ 3.46Å; D242-K378 IonicContact OD2-NZ 3.75Å; D242-K378 PolarHBondContact OD2-NZ 3.24Å; S373-K378 CarbonylContact C-O 3.59Å; S373-K378 WeakPolarHBondContact CA-O 3.41Å; S373-K378 WeakPolarHBondContact CB-O 3.49Å; Y374-K378 HydrophobicContact CD1-CB 4.45Å; Y374-K378 HydrophobicContact CD2-CB 4.03Å; Y374-K378 HydrophobicContact CE1-CB 4.07Å; Y374-K378 HydrophobicContact CE2-CB 3.58Å; Y374-K378 HydrophobicContact CE2-CD 3.92Å; Y374-K378 HydrophobicContact CE2-CG 4.38Å; Y374-K378 HydrophobicContact CG-CB 4.44Å; Y374-K378 PolarHBondContact N-O 2.94Å; Y374-K378 PolarHBondContact O-N 3.25Å
379	K	91.7	Very high	90.8	Very high	74 Å²	74	50.5 Å²	50.5	32%	0.322	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144	-174.4	-59.7	-61.9	-176.7	169.8	0	111.6	Y345 T368 D370 S372 Y374	Y345-K379 PolarHBondContact OH-O 3.27Å; T368-K379 HydrophobicContact CG2-CB 3.44Å; T368-K379 VanDerWaalsContact CG2-CB 3.44Å; T368-K379 HydrophobicContact CG2-CG 3.98Å; D370-K379 PolarHBondContact O-NZ 3.18Å; S372-K379 WeakPolarHBondContact O-CD 3.35Å; S372-K379 PolarHBondContact O-NZ 3.1Å; Y374-K379 VanDerWaalsContact CE1-C 3.49Å; Y374-K379 WeakPolarHBondContact CE1-O 3.31Å
380	Y	93	Very high	90.8	Very high	19 Å²	19	51.8 Å²	51.8	8%	0.075	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	149.2	180	-52.3	-90.4	0	0	0	111.2	M245 G249 Y251 Y345 W369 S372 S373 Y374 G382	M245-Y380 VanDerWaalsContact O-CD1 3.24Å; M245-Y380 WeakPolarHBondContact O-CD1 3.36Å; M245-Y380 WeakPolarHBondContact O-CE1 3.4Å; G249-Y380 WeakPolarHBondContact O-CD1 3.48Å; Y251-Y380 HydrophobicContact CD1-CD1 4.14Å; Y251-Y380 HydrophobicContact CD1-CD2 4.19Å; Y251-Y380 AromaticContact CD1-CG 3.76Å; Y251-Y380 HydrophobicContact CD1-CG 3.76Å; Y251-Y380 HydrophobicContact CE1-CG 4.39Å; Y345-Y380 VanDerWaalsContact OH-C 3.31Å; Y345-Y380 PolarHBondContact OH-O 3.31Å; W369-Y380 PolarHBondContact N-O 3.1Å; S372-Y380 WeakPolarHBondContact OG-CE2 3.37Å; S373-Y380 PolarHBondContact O-OH 2.78Å; Y374-Y380 WeakPolarHBondContact CB-OH 3.25Å; Y374-Y380 AromaticContact CD1-CD1 3.52Å; Y374-Y380 HydrophobicContact CD1-CD1 3.52Å; Y374-Y380 HydrophobicContact CD1-CD2 4.09Å; Y374-Y380 AromaticContact CD1-CE1 3.31Å; Y374-Y380 HydrophobicContact CD1-CE1 3.31Å; Y374-Y380 AromaticContact CD1-CE2 3.92Å; Y374-Y380 HydrophobicContact CD1-CE2 3.92Å; Y374-Y380 AromaticContact CD1-CG 3.91Å; Y374-Y380 HydrophobicContact CD1-CG 3.91Å; Y374-Y380 AromaticContact CD1-CZ 3.55Å; Y374-Y380 AromaticContact CE1-CD1 3.78Å; Y374-Y380 HydrophobicContact CE1-CD1 3.78Å; Y374-Y380 HydrophobicContact CE1-CE1 4.03Å; Y374-Y380 HydrophobicContact CE1-CG 4.07Å; Y374-Y380 HydrophobicContact CG-CE1 4Å; Y380-G382 PolarHBondContact O-N 2.89Å
381	I	95.6	Very high	90.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	122	168.3	-163.3	171.4	0	0	0	108.3	M246 W247 Y251 G262 I266 Y345 A384	M246-I381 HydrophobicContact CG-CB 4.12Å; M246-I381 HydrophobicContact CG-CG2 4.13Å; M246-I381 WeakPolarHBondContact O-CG2 3.43Å; M246-I381 PolarHBondContact O-N 2.97Å; W247-I381 HydrophobicContact CD2-CG2 4Å; W247-I381 HydrophobicContact CE3-CG2 3.82Å; W247-I381 HydrophobicContact CH2-CD1 3.76Å; W247-I381 HydrophobicContact CH2-CG2 4.39Å; W247-I381 HydrophobicContact CZ2-CD1 3.91Å; W247-I381 HydrophobicContact CZ3-CD1 4.32Å; W247-I381 HydrophobicContact CZ3-CG2 4.04Å; Y251-I381 PolarHBondContact OH-O 2.86Å; G262-I381 WeakPolarHBondContact CA-O 3.42Å; I266-I381 HydrophobicContact CD1-CD1 4.24Å; I266-I381 HydrophobicContact CD1-CG1 4.34Å; I266-I381 HydrophobicContact CD1-CG2 4.33Å; Y345-I381 HydrophobicContact CD1-CB 4.14Å; Y345-I381 HydrophobicContact CD1-CD1 4.46Å; Y345-I381 HydrophobicContact CD1-CG1 4.38Å; Y345-I381 HydrophobicContact CD2-CB 4.21Å; Y345-I381 HydrophobicContact CD2-CD1 4.05Å; Y345-I381 HydrophobicContact CD2-CG1 3.72Å; Y345-I381 HydrophobicContact CE1-CB 4.14Å; Y345-I381 HydrophobicContact CE2-CB 4.22Å; Y345-I381 HydrophobicContact CE2-CG1 4.06Å; Y345-I381 HydrophobicContact CG-CB 4.17Å; Y345-I381 HydrophobicContact CG-CD1 3.84Å; Y345-I381 HydrophobicContact CG-CG1 3.9Å; I381-A384 HydrophobicContact CD1-CB 3.86Å
382	G	94.3	Very high	91	Very high	4 Å²	4	42.8 Å²	42.8	4%	0.041	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	-39.3	178.6	0	0	0	0	0	112	R253 H265 Y367 Y380	R253-G382 PolarHBondContact NH2-O 2.81Å; H265-G382 PolarHBondContact CD2-O 2.86Å; Y367-G382 WeakPolarHBondContact O-CA 3.38Å; Y367-G382 PolarHBondContact O-N 3.15Å; Y380-G382 PolarHBondContact O-N 2.89Å
383	S	95.8	Very high	91.2	Very high	10 Å²	10	43.1 Å²	43.1	7%	0.07	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	154	178	-167.1	0	0	0	0	109.4	H265 T366 Y367	H265-S383 PolarHBondContact CD2-OG 3.42Å; H265-S383 WeakPolarHBondContact NE2-CB 3.49Å; H265-S383 PolarHBondContact NE2-OG 3.28Å; H265-S383 VanDerWaalsContact NE2-OG 3.16Å; T366-S383 CarbonylContact C-O 3.57Å; T366-S383 VanDerWaalsContact CA-O 3.25Å; T366-S383 WeakPolarHBondContact CA-O 3.47Å; Y367-S383 PolarHBondContact N-O 2.85Å; Y367-S383 PolarHBondContact O-N 3.04Å
384	A	97.8	Very high	91.3	Very high	0 Å²	0	42 Å²	42	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	134.3	173.7	0	0	0	0	0	109.2	I266 Y341 Q365 T366 I381	I266-A384 HydrophobicContact CD1-CB 3.76Å; I266-A384 VanDerWaalsContact CD1-N 3.28Å; I266-A384 HydrophobicContact CG1-CB 4.48Å; I266-A384 WeakPolarHBondContact CG2-O 3.42Å; Y341-A384 HydrophobicContact CD1-CB 3.9Å; Y341-A384 HydrophobicContact CD2-CB 4.17Å; Y341-A384 HydrophobicContact CG-CB 3.69Å; Q365-A384 VanDerWaalsContact O-CA 3.28Å; Q365-A384 WeakPolarHBondContact O-CA 3.19Å; T366-A384 HydrophobicContact CG2-CB 4.12Å; I381-A384 HydrophobicContact CD1-CB 3.86Å
385	F	97.9	Very high	91.5	Very high	45 Å²	45	43.6 Å²	43.6	20%	0.197	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	158.8	177.8	50.6	-94.7	0	0	0	112	H280 Q365 Y367 A387	H280-F385 HydrophobicContact CB-CB 4.16Å; H280-F385 AromaticContact CE1-CD1 3.86Å; H280-F385 AromaticContact CE1-CG 3.73Å; H280-F385 VanDerWaalsContact ND1-CB 3.31Å; H280-F385 WeakPolarHBondContact ND1-CB 3.32Å; H280-F385 AromaticContact ND1-CG 3.94Å; H280-F385 AromaticContact NE2-CD1 3.76Å; Q365-F385 HydrophobicContact CB-CD2 4.42Å; Q365-F385 HydrophobicContact CB-CE2 4.03Å; Q365-F385 HydrophobicContact CB-CZ 4.29Å; Q365-F385 HydrophobicContact CG-CE2 4.39Å; Q365-F385 HydrophobicContact CG-CZ 4.2Å; Q365-F385 PolarHBondContact N-O 2.98Å; Q365-F385 PolarHBondContact O-N 2.76Å; Y367-F385 HydrophobicContact CD2-CE1 4.17Å; Y367-F385 AromaticContact CE2-CE1 3.83Å; Y367-F385 HydrophobicContact CE2-CE1 3.83Å; Y367-F385 AromaticContact CE2-CZ 3.77Å; Y367-F385 HydrophobicContact CE2-CZ 3.77Å; F385-A387 PolarHBondContact O-N 3.1Å
386	P	97.9	Very high	92.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61	124.4	168.8	-22.5	35.2	0	0	0	111.1	V311 S327 I329 L362 V363 I364 T388	V311-P386 HydrophobicContact CG1-CB 3.58Å; V311-P386 HydrophobicContact CG1-CG 4.11Å; V311-P386 HydrophobicContact CG2-CB 4.47Å; S327-P386 WeakPolarHBondContact CB-O 3.21Å; S327-P386 PolarHBondContact OG-O 2.92Å; I329-P386 HydrophobicContact CD1-CG 4.36Å; I329-P386 HydrophobicContact CG1-CG 3.55Å; L362-P386 HydrophobicContact CD1-CB 4.17Å; V363-P386 CarbonylContact O-C 3.3Å; V363-P386 WeakPolarHBondContact O-CA 3.34Å; I364-P386 HydrophobicContact CD1-CB 4.29Å; I364-P386 HydrophobicContact CD1-CG 4.21Å; P386-T388 PolarHBondContact O-N 3.46Å
387	A	96.4	Very high	92.9	Very high	36 Å²	36	34.5 Å²	34.5	30%	0.298	21%	0.206	S	C	.	.			trans	-75.9	108.5	174	0	0	0	0	0	109.4	V363 Q365 F385	V363-A387 HydrophobicContact CB-CB 4.1Å; V363-A387 HydrophobicContact CG1-CB 3.94Å; V363-A387 PolarHBondContact O-N 2.86Å; Q365-A387 HydrophobicContact CB-CB 4.43Å; F385-A387 PolarHBondContact O-N 3.1Å
388	T	92.8	Very high	93.5	Very high	28 Å²	28	33.8 Å²	33.8	17%	0.172	19%	0.188	C	C	.	.			trans	-103.4	152.3	175.1	60.4	0	0	0	0	110.6	F301 V311 P386	F301-T388 HydrophobicContact CB-CG2 4.04Å; F301-T388 HydrophobicContact CD1-CG2 3.43Å; F301-T388 VanDerWaalsContact CD1-CG2 3.43Å; F301-T388 HydrophobicContact CE1-CG2 4.05Å; F301-T388 HydrophobicContact CG-CG2 3.85Å; V311-T388 HydrophobicContact CG1-CG2 3.94Å; P386-T388 PolarHBondContact O-N 3.46Å
389	P	81.4	Confident	94	Very high	117 Å²	117	30.3 Å²	30.3	76%	0.76	18%	0.176	S	C	*	.			trans	-58.8	0	-178.7	-24.4	35.6	0	0	0	115.5	N149 F301	N149-P389 PolarHBondContact ND2-O 3.24Å; N149-P389 VanDerWaalsContact ND2-O 3.1Å; N149-P389 PolarHBondContact ND2-OXT 2.81Å; F301-P389 HydrophobicContact CD2-CG 3.87Å; F301-P389 HydrophobicContact CE2-CG 4.08Å

Retrieved 389 of 389 residues in 689.3 ms (Link to these results)

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