A0A3Q0KRA2_SCHMA Loading...

Putative sodium/potassium-dependent atpase beta subunit

AlphaFold DB , UniProt , Accession A0A3Q0KRA2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 300 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	39	Very low	40.1	Very low	247 Å²	247	166.9 Å²	166.9	100%	1.217	89%	0.886	S	S	*	*				0	128.4	0	-70.9	177	-170.9	0	0	106.8
2	L	39.8	Very low	40.1	Very low	182 Å²	182	169.6 Å²	169.6	95%	0.953	88%	0.884	S	S	*	*			trans	-67.6	162.2	-172.2	-89.7	94.2	0	0	0	113.1
3	G	39.7	Very low	40.2	Very low	82 Å²	82	169.7 Å²	169.7	85%	0.845	88%	0.877	S	S	*	*			trans	-71.6	175	-168	0	0	0	0	0	117.5
4	S	43.3	Very low	40.1	Very low	121 Å²	121	172.6 Å²	172.6	85%	0.846	88%	0.88	S	S	*	*			trans	-154.1	103.1	156.9	57.7	0	0	0	0	108.5
5	D	40.2	Very low	40.1	Very low	161 Å²	161	173.4 Å²	173.4	86%	0.861	88%	0.879	S	S	*	*			trans	-91.4	163.6	166.7	-90.1	-45.7	0	0	0	110.9
6	E	41.2	Very low	40.2	Very low	183 Å²	183	170.9 Å²	170.9	86%	0.855	88%	0.875	S	S	*	*			trans	80.7	111.8	160.8	-74.7	-178.9	127.1	0	0	121.1
7	K	41	Very low	40.2	Very low	212 Å²	212	168.1 Å²	168.1	92%	0.922	87%	0.867	S	S	*	*				-169.6	118.6	116	-99.8	167.6	-174.1	-178.6	0	112.3
8	Q	33.9	Very low	40.3	Very low	187 Å²	187	168.3 Å²	168.3	87%	0.874	87%	0.87	S	S	*	*			trans	-90.9	-161.2	163.4	-67.2	-173.7	-46.4	0	0	110.6
9	P	46	Very low	40.6	Very low	104 Å²	104	168.7 Å²	168.7	68%	0.675	87%	0.868	S	S	*	*				-122.8	173.8	-86.1	38.1	-20.9	0	0	0	112.1
10	F	37.9	Very low	40.8	Very low	205 Å²	205	170.7 Å²	170.7	90%	0.899	87%	0.869	S	S	*	*			trans	-169.5	150.8	146.3	-126.4	-95.8	0	0	0	113.8
11	L	39.1	Very low	40.9	Very low	152 Å²	152	172.7 Å²	172.7	80%	0.796	87%	0.872	S	S	*	*			trans	-85	157.7	-161.1	-62.5	143	0	0	0	114.8
12	K	40.2	Very low	41.4	Very low	199 Å²	199	172.4 Å²	172.4	87%	0.865	86%	0.857	S	S	*	*			trans	-152.3	104.6	150.8	-146	153.9	-173.7	173.6	0	114.7
13	E	40.6	Very low	41.8	Very low	171 Å²	171	171.4 Å²	171.4	80%	0.799	85%	0.853	S	S	*	*			trans	49.8	118.8	135.1	-132.6	129.2	-152.1	0	0	122.1
14	K	39	Very low	42.6	Very low	210 Å²	210	175 Å²	175	91%	0.913	85%	0.851	S	S	*	*			trans	-105.4	122.2	163.8	-90.7	-179.8	174.8	175.4	0	109.3
15	E	40.7	Very low	43.3	Very low	185 Å²	185	175.8 Å²	175.8	86%	0.864	85%	0.846	S	S	*	*			trans	-81.2	123.4	178.4	-93.7	177.9	138.6	0	0	114.2
16	V	41.8	Very low	44.3	Very low	134 Å²	134	170.5 Å²	170.5	81%	0.812	82%	0.822	S	S	*	*				48.7	118.3	129.9	-167.8	0	0	0	0	121.2
17	T	40.8	Very low	45.2	Very low	122 Å²	122	171.5 Å²	171.5	75%	0.748	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-86.3	143.8	172.8	42.6	0	0	0	0	113
18	N	42	Very low	46.3	Very low	172 Å²	172	169 Å²	169	92%	0.92	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-96.2	119.7	-179.1	-132.1	-32.7	0	0	0	111.4
19	H	45	Very low	47.6	Very low	177 Å²	177	167.7 Å²	167.7	82%	0.819	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-77.3	124.8	-178.3	-79.5	-85	0	0	0	112.5
20	K	44.2	Very low	48.2	Very low	208 Å²	208	171.6 Å²	171.6	90%	0.904	80%	0.796	S	S	*	*			trans	-108.5	111.5	163.7	-134.9	173.7	-173.6	176.2	0	109.8
21	K	44.2	Very low	49.1	Very low	213 Å²	213	165.6 Å²	165.6	93%	0.926	78%	0.778	S	S	*	*			trans	-58.6	128.7	177.8	-76.2	174.1	175	174.7	0	111
22	R	49.2	Very low	49.9	Very low	240 Å²	240	163.7 Å²	163.7	91%	0.906	77%	0.772	S	S	*	*			trans	-112.3	120.3	175.6	-162.8	173.4	172.1	175.7	-2.6	108.5
23	N	48.8	Very low	50.2	Low	161 Å²	161	162 Å²	162	86%	0.861	76%	0.76	S	S	*	*			trans	-69.4	137.1	-178	-138.5	-20.5	0	0	0	110.1
24	I	54.9	Low	50.9	Low	158 Å²	158	158.3 Å²	158.3	81%	0.81	75%	0.746	S	S	*	*			trans	-100.9	104.4	-172.2	-61.2	171.1	0	0	0	108.7
25	D	57.9	Low	51.5	Low	137 Å²	137	153.4 Å²	153.4	73%	0.733	73%	0.73	S	S	*	*			trans	-77.3	140.6	169.8	-81.1	-37.1	0	0	0	111.9
26	S	62.6	Low	52.1	Low	50 Å²	50	148.2 Å²	148.2	35%	0.35	71%	0.708	S	S	.	*			trans	-67.5	145	-175.7	-172.9	0	0	0	0	113.9	Y28	S26-Y28 VanDerWaalsContact OG-CD1 3.24Å; S26-Y28 WeakPolarHBondContact OG-CD1 2.98Å; S26-Y28 WeakPolarHBondContact OG-CE1 3.41Å
27	W	58.5	Low	52.8	Low	204 Å²	204	150.4 Å²	150.4	77%	0.773	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-73.5	-30.2	-166	70.7	-84.1	0	0	0	115.7	K29 R30	W27-K29 PolarHBondContact O-N 3.19Å; W27-R30 WeakPolarHBondContact O-CG 3.48Å; W27-R30 PolarHBondContact O-N 3.26Å
28	Y	66.2	Low	53.4	Low	161 Å²	161	153.7 Å²	153.7	63%	0.631	71%	0.714	S	S	*	*	G	3₁₀ helix	trans	-73.3	-11	-177.9	61.1	-101.1	0	0	0	113.9	S26 R30	S26-Y28 VanDerWaalsContact OG-CD1 3.24Å; S26-Y28 WeakPolarHBondContact OG-CD1 2.98Å; S26-Y28 WeakPolarHBondContact OG-CE1 3.41Å; Y28-R30 VanDerWaalsContact C-N 3.28Å
29	K	61.1	Low	54	Low	159 Å²	159	147.4 Å²	147.4	69%	0.691	68%	0.682	S	S	*	*	G	3₁₀ helix	trans	-83.1	-3.5	174.3	-69.2	-173.5	177.8	-178.8	0	113.1	W27	W27-K29 PolarHBondContact O-N 3.19Å
30	R	56.7	Low	54.4	Low	186 Å²	186	148.1 Å²	148.1	70%	0.702	68%	0.682	S	S	*	*	S	Bend	trans	-81.4	123.5	-179.9	-60.5	-173.9	-167.3	-145.4	4.5	109.4	W27 Y28	W27-R30 WeakPolarHBondContact O-CG 3.48Å; W27-R30 PolarHBondContact O-N 3.26Å; Y28-R30 VanDerWaalsContact C-N 3.28Å
31	P	58.4	Low	54.9	Low	78 Å²	78	144 Å²	144	51%	0.506	66%	0.662	S	S	.	*			trans	-63.9	148.6	-179.4	28.3	-35	0	0	0	110.9	W33 D34	P31-W33 WeakPolarHBondContact CB-O 3.48Å; P31-W33 WeakPolarHBondContact CG-O 3.42Å; P31-W33 PolarHBondContact O-N 2.93Å; P31-W33 VanDerWaalsContact O-N 3.16Å; P31-D34 HydrophobicContact CG-CB 4.28Å
32	V	56.2	Low	55.5	Low	113 Å²	113	138.9 Å²	138.9	69%	0.685	64%	0.642	S	S	*	*	S	Bend	trans	-57	-28.1	175	169	0	0	0	0	111.3	M43	V32-M43 HydrophobicContact CG1-CE 3.69Å
33	W	45.8	Very low	55.9	Low	162 Å²	162	133.8 Å²	133.8	61%	0.614	63%	0.631	S	S	*	*	B	Isolated β-bridge	trans	-129.7	111.9	174.4	-161.1	71.4	0	0	0	108.3	P31 D35	P31-W33 WeakPolarHBondContact CB-O 3.48Å; P31-W33 WeakPolarHBondContact CG-O 3.42Å; P31-W33 PolarHBondContact O-N 2.93Å; P31-W33 VanDerWaalsContact O-N 3.16Å; W33-D35 HydrophobicContact CE3-CB 3.68Å; W33-D35 HydrophobicContact CH2-CB 3.66Å; W33-D35 WeakPolarHBondContact CH2-OD1 3.14Å; W33-D35 HydrophobicContact CZ3-CB 3.2Å; W33-D35 WeakPolarHBondContact CZ3-OD2 3.36Å
34	D	54.5	Low	56.6	Low	94 Å²	94	129.1 Å²	129.1	50%	0.503	62%	0.621	S	S	.	*			trans	-94.4	104.6	171.5	-158	2.7	0	0	0	106.5	P31 D36	P31-D34 HydrophobicContact CG-CB 4.28Å; D34-D36 PolarHBondContact O-N 3.44Å
35	D	52.2	Low	57.1	Low	107 Å²	107	127.4 Å²	127.4	57%	0.572	60%	0.604	S	S	*	*			trans	-78.9	43.9	176	-161.8	15.2	0	0	0	111.1	W33 Q37	W33-D35 HydrophobicContact CE3-CB 3.68Å; W33-D35 HydrophobicContact CH2-CB 3.66Å; W33-D35 WeakPolarHBondContact CH2-OD1 3.14Å; W33-D35 HydrophobicContact CZ3-CB 3.2Å; W33-D35 WeakPolarHBondContact CZ3-OD2 3.36Å; D35-Q37 PolarHBondContact O-N 2.88Å; D35-Q37 VanDerWaalsContact O-N 3.12Å
36	D	54.2	Low	57.7	Low	77 Å²	77	123.4 Å²	123.4	41%	0.412	59%	0.587	S	S	.	*			trans	-72.6	111.1	170.8	180	31.5	0	0	0	106.9	D34 K38 T39	D34-D36 PolarHBondContact O-N 3.44Å; D36-K38 PolarHBondContact O-N 2.87Å; D36-T39 VanDerWaalsContact CB-OG1 3.29Å; D36-T39 WeakPolarHBondContact CB-OG1 3.4Å; D36-T39 CarbonylContact O-C 3.42Å; D36-T39 PolarHBondContact O-N 3.43Å; D36-T39 PolarHBondContact OD2-OG1 3.01Å
37	Q	55.6	Low	58.2	Low	179 Å²	179	128 Å²	128	84%	0.836	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52	-20.9	-174.3	-75.2	-167.1	-50.1	0	0	113.8	D35	D35-Q37 PolarHBondContact O-N 2.88Å; D35-Q37 VanDerWaalsContact O-N 3.12Å
38	K	52.9	Low	59.1	Low	191 Å²	191	121.6 Å²	121.6	83%	0.83	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-19.4	177.2	-70.5	-174.5	178.7	178.6	0	114	D36	D36-K38 PolarHBondContact O-N 2.87Å
39	T	54.2	Low	59.8	Low	41 Å²	41	114.9 Å²	114.9	25%	0.252	57%	0.566	S	S	.	*			trans	-125.2	82.7	-174.8	54.4	0	0	0	0	111.2	D36 Y41	D36-T39 VanDerWaalsContact CB-OG1 3.29Å; D36-T39 WeakPolarHBondContact CB-OG1 3.4Å; D36-T39 CarbonylContact O-C 3.42Å; D36-T39 PolarHBondContact O-N 3.43Å; D36-T39 PolarHBondContact OD2-OG1 3.01Å; T39-Y41 VanDerWaalsContact CB-CD2 3.44Å; T39-Y41 VanDerWaalsContact CB-CE2 3.49Å; T39-Y41 HydrophobicContact CG2-CD2 4.02Å; T39-Y41 HydrophobicContact CG2-CE2 3.51Å; T39-Y41 PolarHBondContact O-N 2.9Å
40	K	53.8	Low	60.8	Low	191 Å²	191	110.1 Å²	110.1	83%	0.83	54%	0.544	S	S	*	.			trans	-65.9	58.8	170	-61.5	-176.5	-179.8	-177.2	0	111.9
41	Y	56.3	Low	62.1	Low	123 Å²	123	105.6 Å²	105.6	48%	0.482	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	115.4	174.6	-68.3	-58.7	0	0	0	109.1	T39	T39-Y41 VanDerWaalsContact CB-CD2 3.44Å; T39-Y41 VanDerWaalsContact CB-CE2 3.49Å; T39-Y41 HydrophobicContact CG2-CD2 4.02Å; T39-Y41 HydrophobicContact CG2-CE2 3.51Å; T39-Y41 PolarHBondContact O-N 2.9Å
42	M	55	Low	63.5	Low	104 Å²	104	108.8 Å²	108.8	51%	0.512	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	115.9	168.3	-163	173.6	91.3	0	0	107.5	G44 R45 W50	M42-G44 VanDerWaalsContact C-N 3.29Å; M42-G44 PolarHBondContact O-N 3.27Å; M42-R45 PolarHBondContact N-O 2.61Å; M42-R45 PolarHBondContact O-N 2.84Å; M42-R45 VanDerWaalsContact O-O 3.14Å; M42-W50 PolarHBondContact O-NE1 2.86Å
43	M	58.6	Low	65	Low	133 Å²	133	106.4 Å²	106.4	66%	0.655	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.9	49.6	-175.7	-71.6	-175	175.3	0	0	113.8	V32 R45 W50	V32-M43 HydrophobicContact CG1-CE 3.69Å; M43-R45 VanDerWaalsContact C-N 3.32Å; M43-R45 PolarHBondContact O-N 2.82Å; M43-W50 HydrophobicContact CB-CZ2 4.41Å
44	G	62.5	Low	67	Low	64 Å²	64	106.3 Å²	106.3	66%	0.66	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	4.4	173.4	0	0	0	0	0	116.5	M42	M42-G44 VanDerWaalsContact C-N 3.29Å; M42-G44 PolarHBondContact O-N 3.27Å
45	R	65.7	Low	68.8	Low	121 Å²	121	106.4 Å²	106.4	46%	0.457	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	149.4	171.1	-71.9	-170.9	178.1	-167.8	1.7	112.1	M42 M43 F53	M42-R45 PolarHBondContact N-O 2.61Å; M42-R45 PolarHBondContact O-N 2.84Å; M42-R45 VanDerWaalsContact O-O 3.14Å; M43-R45 VanDerWaalsContact C-N 3.32Å; M43-R45 PolarHBondContact O-N 2.82Å; R45-F53 VanDerWaalsContact NH1-CD2 3.29Å
46	S	70.6	Confident	70.6	Confident	53 Å²	53	107 Å²	107	37%	0.371	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	149.7	172.5	65.8	0	0	0	0	109.8	C48 G49 W50	S46-C48 PolarHBondContact O-N 3.35Å; S46-G49 WeakPolarHBondContact O-CA 3.28Å; S46-G49 PolarHBondContact O-N 3.48Å; S46-G49 PolarHBondContact OG-N 3.34Å; S46-G49 VanDerWaalsContact OG-N 3.16Å; S46-W50 PolarHBondContact O-N 3.03Å
47	F	72.6	Confident	72.5	Confident	147 Å²	147	107.6 Å²	107.6	65%	0.645	52%	0.515	S	S	*	.	H	α-helix	trans	-52.5	-38.7	175.5	-177.4	-105.1	0	0	0	112.5	G49 W50 I51	F47-G49 PolarHBondContact O-N 3.02Å; F47-W50 WeakPolarHBondContact O-CB 3.49Å; F47-W50 PolarHBondContact O-N 3.27Å; F47-I51 HydrophobicContact CD1-CD1 3.84Å; F47-I51 HydrophobicContact CE1-CD1 3.49Å; F47-I51 VanDerWaalsContact CE1-CD1 3.49Å; F47-I51 HydrophobicContact CE1-CG1 4.35Å; F47-I51 HydrophobicContact CZ-CD1 4.09Å; F47-I51 PolarHBondContact O-N 3.33Å
48	C	78.2	Confident	74.4	Confident	69 Å²	69	103.8 Å²	103.8	47%	0.466	50%	0.5	S	S	.	.	H	α-helix	trans	-65.1	-36.4	173.7	-175.8	0	0	0	0	112.9	S46 I51 K52	S46-C48 PolarHBondContact O-N 3.35Å; C48-I51 PolarHBondContact O-N 2.79Å; C48-K52 WeakPolarHBondContact O-CG 3.44Å; C48-K52 PolarHBondContact O-N 2.84Å
49	G	80.9	Confident	76.4	Confident	20 Å²	20	99.1 Å²	99.1	21%	0.206	48%	0.483	C	S	.	.	H	α-helix	trans	-64.8	-37.8	173.3	0	0	0	0	0	112.7	S46 F47 F53	S46-G49 WeakPolarHBondContact O-CA 3.28Å; S46-G49 PolarHBondContact O-N 3.48Å; S46-G49 PolarHBondContact OG-N 3.34Å; S46-G49 VanDerWaalsContact OG-N 3.16Å; F47-G49 PolarHBondContact O-N 3.02Å; G49-F53 WeakPolarHBondContact O-CB 3.41Å; G49-F53 PolarHBondContact O-N 3.1Å
50	W	81.4	Confident	78.4	Confident	60 Å²	60	100.9 Å²	100.9	23%	0.227	49%	0.49	C	S	.	.	H	α-helix	trans	-62.5	-46.9	171.1	-78.2	107.6	0	0	0	111.6	M42 M43 S46 F47 K52 F53 W54	M42-W50 PolarHBondContact O-NE1 2.86Å; M43-W50 HydrophobicContact CB-CZ2 4.41Å; S46-W50 PolarHBondContact O-N 3.03Å; F47-W50 WeakPolarHBondContact O-CB 3.49Å; F47-W50 PolarHBondContact O-N 3.27Å; W50-K52 PolarHBondContact O-N 2.97Å; W50-F53 HydrophobicContact CE3-CD1 4.29Å; W50-F53 HydrophobicContact CZ3-CD1 4.38Å; W50-F53 HydrophobicContact CZ3-CE1 4.45Å; W50-F53 WeakPolarHBondContact O-CB 3.39Å; W50-F53 PolarHBondContact O-N 3.07Å; W50-W54 AromaticContact CE3-NE1 3.74Å; W50-W54 PolarHBondContact O-N 2.82Å
51	I	84.3	Confident	80.4	Confident	91 Å²	91	98.4 Å²	98.4	47%	0.467	48%	0.477	S	S	.	.	H	α-helix	trans	-58.5	-46.5	177.6	-67.9	168.6	0	0	0	111.5	F47 C48 F53 W54 L55	F47-I51 HydrophobicContact CD1-CD1 3.84Å; F47-I51 HydrophobicContact CE1-CD1 3.49Å; F47-I51 VanDerWaalsContact CE1-CD1 3.49Å; F47-I51 HydrophobicContact CE1-CG1 4.35Å; F47-I51 HydrophobicContact CZ-CD1 4.09Å; F47-I51 PolarHBondContact O-N 3.33Å; C48-I51 PolarHBondContact O-N 2.79Å; I51-F53 VanDerWaalsContact C-N 3.31Å; I51-F53 PolarHBondContact O-N 2.91Å; I51-W54 PolarHBondContact O-N 2.87Å; I51-L55 VanDerWaalsContact O-CB 3.3Å; I51-L55 WeakPolarHBondContact O-CB 3.23Å; I51-L55 PolarHBondContact O-N 3.12Å
52	K	88.3	Confident	82.3	Confident	144 Å²	144	96.4 Å²	96.4	63%	0.626	47%	0.474	S	S	*	.	H	α-helix	trans	-61.3	-40.6	177.1	-73.4	174.9	-179.6	167.4	0	112.2	C48 W50 H56	C48-K52 WeakPolarHBondContact O-CG 3.44Å; C48-K52 PolarHBondContact O-N 2.84Å; W50-K52 PolarHBondContact O-N 2.97Å; K52-H56 PolarHBondContact O-N 2.81Å; K52-H56 VanDerWaalsContact O-N 3.09Å
53	F	87.4	Confident	84.3	Confident	64 Å²	64	94.5 Å²	94.5	28%	0.281	47%	0.47	S	S	.	.	H	α-helix	trans	-61.4	-55.3	174.7	177.7	-93.8	0	0	0	110.6	R45 G49 W50 I51 L55 H56 Y57	R45-F53 VanDerWaalsContact NH1-CD2 3.29Å; G49-F53 WeakPolarHBondContact O-CB 3.41Å; G49-F53 PolarHBondContact O-N 3.1Å; W50-F53 HydrophobicContact CE3-CD1 4.29Å; W50-F53 HydrophobicContact CZ3-CD1 4.38Å; W50-F53 HydrophobicContact CZ3-CE1 4.45Å; W50-F53 WeakPolarHBondContact O-CB 3.39Å; W50-F53 PolarHBondContact O-N 3.07Å; I51-F53 VanDerWaalsContact C-N 3.31Å; I51-F53 PolarHBondContact O-N 2.91Å; F53-L55 VanDerWaalsContact C-N 3.31Å; F53-L55 PolarHBondContact O-N 2.85Å; F53-H56 PolarHBondContact O-N 3.2Å; F53-H56 VanDerWaalsContact O-N 3.14Å; F53-Y57 HydrophobicContact CD1-CD2 4.03Å; F53-Y57 HydrophobicContact CD1-CE2 4.24Å; F53-Y57 HydrophobicContact CD2-CD2 4.02Å; F53-Y57 AromaticContact CD2-CE2 3.53Å; F53-Y57 HydrophobicContact CD2-CE2 3.53Å; F53-Y57 AromaticContact CE1-CD2 3.82Å; F53-Y57 HydrophobicContact CE1-CD2 3.82Å; F53-Y57 AromaticContact CE1-CE2 3.83Å; F53-Y57 HydrophobicContact CE1-CE2 3.83Å; F53-Y57 AromaticContact CE2-CD2 3.88Å; F53-Y57 HydrophobicContact CE2-CD2 3.88Å; F53-Y57 AromaticContact CE2-CE2 3.1Å; F53-Y57 HydrophobicContact CE2-CE2 3.1Å; F53-Y57 AromaticContact CE2-CZ 3.83Å; F53-Y57 HydrophobicContact CG-CD2 4.12Å; F53-Y57 HydrophobicContact CG-CE2 4.1Å; F53-Y57 AromaticContact CZ-CD2 3.75Å; F53-Y57 HydrophobicContact CZ-CD2 3.75Å; F53-Y57 AromaticContact CZ-CE2 3.25Å; F53-Y57 HydrophobicContact CZ-CE2 3.25Å; F53-Y57 AromaticContact CZ-CZ 3.83Å; F53-Y57 VanDerWaalsContact O-CD2 3.3Å; F53-Y57 WeakPolarHBondContact O-CD2 3.23Å; F53-Y57 PolarHBondContact O-N 2.87Å; F53-Y57 VanDerWaalsContact O-N 3.09Å
54	W	88.5	Confident	86.2	Confident	160 Å²	160	92.6 Å²	92.6	61%	0.606	46%	0.462	S	S	*	.	H	α-helix	trans	-56.9	-42.4	178.4	-75.8	112.1	0	0	0	112.7	W50 I51 H56 Y57 L58	W50-W54 AromaticContact CE3-NE1 3.74Å; W50-W54 PolarHBondContact O-N 2.82Å; I51-W54 PolarHBondContact O-N 2.87Å; W54-H56 PolarHBondContact O-N 2.85Å; W54-Y57 PolarHBondContact O-N 3.44Å; W54-L58 WeakPolarHBondContact O-CB 3.23Å; W54-L58 PolarHBondContact O-N 3.1Å
55	L	90.9	Very high	87.8	Confident	96 Å²	96	94.2 Å²	94.2	50%	0.503	46%	0.455	S	S	.	.	H	α-helix	trans	-61.1	-43.9	177.5	-174.6	69.2	0	0	0	111.9	I51 F53 L58 I59	I51-L55 VanDerWaalsContact O-CB 3.3Å; I51-L55 WeakPolarHBondContact O-CB 3.23Å; I51-L55 PolarHBondContact O-N 3.12Å; F53-L55 VanDerWaalsContact C-N 3.31Å; F53-L55 PolarHBondContact O-N 2.85Å; L55-L58 PolarHBondContact O-N 2.9Å; L55-I59 HydrophobicContact CD1-CD1 4.32Å; L55-I59 HydrophobicContact CG-CD1 4.02Å; L55-I59 WeakPolarHBondContact O-CD1 3.41Å; L55-I59 VanDerWaalsContact O-CG1 3.27Å; L55-I59 WeakPolarHBondContact O-CG1 3.44Å; L55-I59 PolarHBondContact O-N 2.83Å
56	H	91.6	Very high	89.3	Confident	119 Å²	119	93.9 Å²	93.9	55%	0.551	46%	0.461	S	S	*	.	H	α-helix	trans	-61.9	-47.6	177.2	173.6	71.9	0	0	0	112.2	K52 F53 W54 L58 I59 L60	K52-H56 PolarHBondContact O-N 2.81Å; K52-H56 VanDerWaalsContact O-N 3.09Å; F53-H56 PolarHBondContact O-N 3.2Å; F53-H56 VanDerWaalsContact O-N 3.14Å; W54-H56 PolarHBondContact O-N 2.85Å; H56-L58 VanDerWaalsContact C-N 3.35Å; H56-I59 PolarHBondContact O-N 2.04Å; H56-L60 WeakPolarHBondContact O-CB 3.49Å; H56-L60 PolarHBondContact O-N 3.25Å
57	Y	93.4	Very high	90.6	Very high	89 Å²	89	96.6 Å²	96.6	35%	0.349	47%	0.47	S	S	.	.	H	α-helix	trans	-66.2	-38.4	177.5	-80	-86	0	0	0	112	F53 W54 I59 L60 Y61	F53-Y57 HydrophobicContact CD1-CD2 4.03Å; F53-Y57 HydrophobicContact CD1-CE2 4.24Å; F53-Y57 HydrophobicContact CD2-CD2 4.02Å; F53-Y57 AromaticContact CD2-CE2 3.53Å; F53-Y57 HydrophobicContact CD2-CE2 3.53Å; F53-Y57 AromaticContact CE1-CD2 3.82Å; F53-Y57 HydrophobicContact CE1-CD2 3.82Å; F53-Y57 AromaticContact CE1-CE2 3.83Å; F53-Y57 HydrophobicContact CE1-CE2 3.83Å; F53-Y57 AromaticContact CE2-CD2 3.88Å; F53-Y57 HydrophobicContact CE2-CD2 3.88Å; F53-Y57 AromaticContact CE2-CE2 3.1Å; F53-Y57 HydrophobicContact CE2-CE2 3.1Å; F53-Y57 AromaticContact CE2-CZ 3.83Å; F53-Y57 HydrophobicContact CG-CD2 4.12Å; F53-Y57 HydrophobicContact CG-CE2 4.1Å; F53-Y57 AromaticContact CZ-CD2 3.75Å; F53-Y57 HydrophobicContact CZ-CD2 3.75Å; F53-Y57 AromaticContact CZ-CE2 3.25Å; F53-Y57 HydrophobicContact CZ-CE2 3.25Å; F53-Y57 AromaticContact CZ-CZ 3.83Å; F53-Y57 VanDerWaalsContact O-CD2 3.3Å; F53-Y57 WeakPolarHBondContact O-CD2 3.23Å; F53-Y57 PolarHBondContact O-N 2.87Å; F53-Y57 VanDerWaalsContact O-N 3.09Å; W54-Y57 PolarHBondContact O-N 3.44Å; Y57-I59 PolarHBondContact O-N 3.09Å; Y57-L60 PolarHBondContact O-N 2.98Å; Y57-Y61 HydrophobicContact CD1-CE2 4.12Å; Y57-Y61 WeakPolarHBondContact O-CB 3.4Å; Y57-Y61 WeakPolarHBondContact O-CD2 3.17Å; Y57-Y61 PolarHBondContact O-N 3.08Å
58	L	94.9	Very high	91.7	Very high	100 Å²	100	94.2 Å²	94.2	52%	0.524	46%	0.462	S	S	.	.	H	α-helix	trans	-58.8	-48.5	176.1	-179.2	65	0	0	0	111	W54 L55 H56 Y61 I62	W54-L58 WeakPolarHBondContact O-CB 3.23Å; W54-L58 PolarHBondContact O-N 3.1Å; L55-L58 PolarHBondContact O-N 2.9Å; H56-L58 VanDerWaalsContact C-N 3.35Å; L58-Y61 PolarHBondContact O-N 3.28Å; L58-I62 HydrophobicContact CD1-CD1 4.25Å; L58-I62 HydrophobicContact CG-CD1 3.99Å; L58-I62 VanDerWaalsContact O-CG1 3.24Å; L58-I62 WeakPolarHBondContact O-CG1 3.39Å; L58-I62 PolarHBondContact O-N 3.31Å
59	I	95.9	Very high	92.6	Very high	92 Å²	92	95.6 Å²	95.6	47%	0.472	46%	0.463	S	S	.	.	H	α-helix	trans	-62.8	-44.6	178	-66.6	164.7	0	0	0	110.8	L55 H56 Y57 Y61 I62 C63	L55-I59 HydrophobicContact CD1-CD1 4.32Å; L55-I59 HydrophobicContact CG-CD1 4.02Å; L55-I59 WeakPolarHBondContact O-CD1 3.41Å; L55-I59 VanDerWaalsContact O-CG1 3.27Å; L55-I59 WeakPolarHBondContact O-CG1 3.44Å; L55-I59 PolarHBondContact O-N 2.83Å; H56-I59 PolarHBondContact O-N 2.04Å; Y57-I59 PolarHBondContact O-N 3.09Å; I59-Y61 PolarHBondContact O-N 3.19Å; I59-I62 PolarHBondContact O-N 3.21Å; I59-C63 PolarHBondContact O-N 3.34Å; I59-C63 PolarHBondContact O-SG 3.23Å; I59-C63 VanDerWaalsContact O-SG 3.38Å
60	L	95.6	Very high	93.3	Very high	78 Å²	78	96 Å²	96	41%	0.408	47%	0.468	S	S	.	.	H	α-helix	trans	-58.7	-47.5	177.4	179.1	66.5	0	0	0	111.7	H56 Y57 I62 C63 L64	H56-L60 WeakPolarHBondContact O-CB 3.49Å; H56-L60 PolarHBondContact O-N 3.25Å; Y57-L60 PolarHBondContact O-N 2.98Å; L60-I62 PolarHBondContact O-N 3.38Å; L60-C63 PolarHBondContact O-N 2.92Å; L60-L64 HydrophobicContact CG-CD1 4.31Å; L60-L64 WeakPolarHBondContact O-CG 3.37Å; L60-L64 PolarHBondContact O-N 3.34Å
61	Y	95.8	Very high	94	Very high	140 Å²	140	98.1 Å²	98.1	55%	0.549	48%	0.481	S	S	.	.	H	α-helix	trans	-65.7	-36.8	178.2	-76.4	-59.3	0	0	0	112.2	Y57 L58 I59 L64 L65	Y57-Y61 HydrophobicContact CD1-CE2 4.12Å; Y57-Y61 WeakPolarHBondContact O-CB 3.4Å; Y57-Y61 WeakPolarHBondContact O-CD2 3.17Å; Y57-Y61 PolarHBondContact O-N 3.08Å; L58-Y61 PolarHBondContact O-N 3.28Å; I59-Y61 PolarHBondContact O-N 3.19Å; Y61-L64 HydrophobicContact CD1-CD1 4.41Å; Y61-L64 PolarHBondContact O-N 3.19Å; Y61-L65 WeakPolarHBondContact O-CB 3.47Å; Y61-L65 VanDerWaalsContact O-CG 3.26Å; Y61-L65 WeakPolarHBondContact O-CG 3.43Å; Y61-L65 PolarHBondContact O-N 3.24Å
62	I	96.9	Very high	94.5	Very high	81 Å²	81	97.8 Å²	97.8	42%	0.415	48%	0.48	S	S	.	.	H	α-helix	trans	-59.9	-47.2	172.9	-71.5	165.8	0	0	0	110.6	L58 I59 L60 L64 L65 I66	L58-I62 HydrophobicContact CD1-CD1 4.25Å; L58-I62 HydrophobicContact CG-CD1 3.99Å; L58-I62 VanDerWaalsContact O-CG1 3.24Å; L58-I62 WeakPolarHBondContact O-CG1 3.39Å; L58-I62 PolarHBondContact O-N 3.31Å; I59-I62 PolarHBondContact O-N 3.21Å; L60-I62 PolarHBondContact O-N 3.38Å; I62-L64 PolarHBondContact O-N 3.23Å; I62-L65 PolarHBondContact O-N 3.4Å; I62-I66 HydrophobicContact CG2-CD1 3.84Å; I62-I66 VanDerWaalsContact O-CG1 3.32Å; I62-I66 WeakPolarHBondContact O-CG1 3.27Å; I62-I66 PolarHBondContact O-N 2.95Å
63	C	97.2	Very high	94.7	Very high	64 Å²	64	95.6 Å²	95.6	43%	0.432	47%	0.474	S	S	.	.	H	α-helix	trans	-61.8	-44.1	177.9	-68.2	0	0	0	0	112.3	I59 L60 L65 I66 I67	I59-C63 PolarHBondContact O-N 3.34Å; I59-C63 PolarHBondContact O-SG 3.23Å; I59-C63 VanDerWaalsContact O-SG 3.38Å; L60-C63 PolarHBondContact O-N 2.92Å; C63-L65 VanDerWaalsContact C-N 3.35Å; C63-L65 PolarHBondContact O-N 3.2Å; C63-I66 PolarHBondContact O-N 3.04Å; C63-I67 WeakPolarHBondContact O-CG1 3.31Å; C63-I67 PolarHBondContact O-N 2.91Å
64	L	97	Very high	95.1	Very high	93 Å²	93	96.6 Å²	96.6	49%	0.487	48%	0.481	S	S	.	.	H	α-helix	trans	-62.4	-41.4	176.6	-72.2	173.8	0	0	0	112	L60 Y61 I62 I67 M68	L60-L64 HydrophobicContact CG-CD1 4.31Å; L60-L64 WeakPolarHBondContact O-CG 3.37Å; L60-L64 PolarHBondContact O-N 3.34Å; Y61-L64 HydrophobicContact CD1-CD1 4.41Å; Y61-L64 PolarHBondContact O-N 3.19Å; I62-L64 PolarHBondContact O-N 3.23Å; L64-I67 PolarHBondContact O-N 3.11Å; L64-M68 WeakPolarHBondContact O-CB 3.07Å; L64-M68 PolarHBondContact O-N 3.25Å
65	L	97.2	Very high	95.2	Very high	98 Å²	98	92 Å²	92	51%	0.513	47%	0.468	S	S	.	.	H	α-helix	trans	-63.3	-42.1	175.4	-74.3	174.1	0	0	0	111.7	Y61 I62 C63 I67 M68 M69	Y61-L65 WeakPolarHBondContact O-CB 3.47Å; Y61-L65 VanDerWaalsContact O-CG 3.26Å; Y61-L65 WeakPolarHBondContact O-CG 3.43Å; Y61-L65 PolarHBondContact O-N 3.24Å; I62-L65 PolarHBondContact O-N 3.4Å; C63-L65 VanDerWaalsContact C-N 3.35Å; C63-L65 PolarHBondContact O-N 3.2Å; L65-I67 PolarHBondContact O-N 2.99Å; L65-M68 HydrophobicContact CD2-CE 3.9Å; L65-M68 PolarHBondContact O-N 3.41Å; L65-M69 WeakPolarHBondContact O-CB 3Å; L65-M69 VanDerWaalsContact O-CG 3.23Å; L65-M69 WeakPolarHBondContact O-CG 3.44Å; L65-M69 PolarHBondContact O-N 3.1Å
66	I	97.3	Very high	95.1	Very high	113 Å²	113	90.2 Å²	90.2	58%	0.579	46%	0.461	S	S	*	.	H	α-helix	trans	-61.6	-44.5	176.5	-69.3	166.3	0	0	0	110.8	I62 C63 M69 G70	I62-I66 HydrophobicContact CG2-CD1 3.84Å; I62-I66 VanDerWaalsContact O-CG1 3.32Å; I62-I66 WeakPolarHBondContact O-CG1 3.27Å; I62-I66 PolarHBondContact O-N 2.95Å; C63-I66 PolarHBondContact O-N 3.04Å; I66-M69 PolarHBondContact O-N 3.29Å; I66-G70 PolarHBondContact O-N 3.41Å
67	I	96.9	Very high	94.9	Very high	111 Å²	111	90.6 Å²	90.6	57%	0.569	46%	0.463	S	S	*	.	H	α-helix	trans	-64	-46.1	177.9	-67	166.7	0	0	0	110.6	C63 L64 L65 G70 M71	C63-I67 WeakPolarHBondContact O-CG1 3.31Å; C63-I67 PolarHBondContact O-N 2.91Å; L64-I67 PolarHBondContact O-N 3.11Å; L65-I67 PolarHBondContact O-N 2.99Å; I67-G70 PolarHBondContact O-N 3.14Å; I67-M71 HydrophobicContact CG2-CG 4.44Å; I67-M71 VanDerWaalsContact O-CG 3.32Å; I67-M71 WeakPolarHBondContact O-CG 3.15Å; I67-M71 PolarHBondContact O-N 3.24Å
68	M	96.9	Very high	94.6	Very high	96 Å²	96	93.1 Å²	93.1	47%	0.473	48%	0.482	S	S	.	.	H	α-helix	trans	-59.6	-49.2	177.8	-176	-169.4	74.5	0	0	111.2	L64 L65 G70 M71 L72	L64-M68 WeakPolarHBondContact O-CB 3.07Å; L64-M68 PolarHBondContact O-N 3.25Å; L65-M68 HydrophobicContact CD2-CE 3.9Å; L65-M68 PolarHBondContact O-N 3.41Å; M68-G70 VanDerWaalsContact C-N 3.35Å; M68-G70 PolarHBondContact O-N 3.26Å; M68-M71 PolarHBondContact O-N 2.84Å; M68-L72 HydrophobicContact CG-CD1 4.26Å; M68-L72 VanDerWaalsContact O-CG 3.29Å; M68-L72 WeakPolarHBondContact O-CG 3.26Å; M68-L72 PolarHBondContact O-N 3.44Å
69	M	96.5	Very high	94.2	Very high	99 Å²	99	92.8 Å²	92.8	49%	0.488	48%	0.48	S	S	.	.	H	α-helix	trans	-63.5	-40.2	177.6	-69	-57.8	-62.1	0	0	111.7	L65 I66 L72 I73	L65-M69 WeakPolarHBondContact O-CB 3Å; L65-M69 VanDerWaalsContact O-CG 3.23Å; L65-M69 WeakPolarHBondContact O-CG 3.44Å; L65-M69 PolarHBondContact O-N 3.1Å; I66-M69 PolarHBondContact O-N 3.29Å; M69-L72 PolarHBondContact O-N 3.29Å; M69-L72 HydrophobicContact SD-CD1 4.3Å; M69-I73 VanDerWaalsContact O-CG1 3.27Å; M69-I73 WeakPolarHBondContact O-CG1 3.28Å; M69-I73 PolarHBondContact O-N 3.44Å
70	G	96.2	Very high	93.8	Very high	29 Å²	29	91.9 Å²	91.9	30%	0.299	48%	0.475	S	S	.	.	H	α-helix	trans	-61.1	-44.8	176	0	0	0	0	0	112.5	I66 I67 M68 I73 I74	I66-G70 PolarHBondContact O-N 3.41Å; I67-G70 PolarHBondContact O-N 3.14Å; M68-G70 VanDerWaalsContact C-N 3.35Å; M68-G70 PolarHBondContact O-N 3.26Å; G70-I73 PolarHBondContact O-N 3.27Å; G70-I74 VanDerWaalsContact O-CG1 3.3Å; G70-I74 WeakPolarHBondContact O-CG1 3.49Å; G70-I74 PolarHBondContact O-N 2.92Å
71	M	95.1	Very high	93.2	Very high	104 Å²	104	90.8 Å²	90.8	51%	0.512	47%	0.474	S	S	.	.	H	α-helix	trans	-64.6	-41.3	175.1	-68.9	-62	-65.7	0	0	112	I67 M68 I73 I74 I75	I67-M71 HydrophobicContact CG2-CG 4.44Å; I67-M71 VanDerWaalsContact O-CG 3.32Å; I67-M71 WeakPolarHBondContact O-CG 3.15Å; I67-M71 PolarHBondContact O-N 3.24Å; M68-M71 PolarHBondContact O-N 2.84Å; M71-I73 PolarHBondContact O-N 2.84Å; M71-I74 PolarHBondContact O-N 3.24Å; M71-I75 WeakPolarHBondContact O-CB 3.42Å; M71-I75 WeakPolarHBondContact O-CD1 3.31Å; M71-I75 WeakPolarHBondContact O-CG1 3.41Å; M71-I75 PolarHBondContact O-N 2.85Å
72	L	94.8	Very high	92.5	Very high	84 Å²	84	90.2 Å²	90.2	44%	0.44	48%	0.48	S	S	.	.	H	α-helix	trans	-63.3	-40.1	176.2	-70.3	173	0	0	0	112	M68 M69 I75 T76	M68-L72 HydrophobicContact CG-CD1 4.26Å; M68-L72 VanDerWaalsContact O-CG 3.29Å; M68-L72 WeakPolarHBondContact O-CG 3.26Å; M68-L72 PolarHBondContact O-N 3.44Å; M69-L72 PolarHBondContact O-N 3.29Å; M69-L72 HydrophobicContact SD-CD1 4.3Å; L72-I75 PolarHBondContact O-N 3.03Å; L72-T76 WeakPolarHBondContact O-CB 3.45Å; L72-T76 VanDerWaalsContact O-CG2 3.25Å; L72-T76 WeakPolarHBondContact O-CG2 3.33Å; L72-T76 PolarHBondContact O-N 3.41Å; L72-T76 PolarHBondContact O-OG1 3.45Å
73	I	93.9	Very high	91.7	Very high	98 Å²	98	92.2 Å²	92.2	50%	0.503	49%	0.492	S	S	.	.	H	α-helix	trans	-64.7	-46	175.2	-67.8	164	0	0	0	110.4	M69 G70 M71 I75 T76 Q77	M69-I73 VanDerWaalsContact O-CG1 3.27Å; M69-I73 WeakPolarHBondContact O-CG1 3.28Å; M69-I73 PolarHBondContact O-N 3.44Å; G70-I73 PolarHBondContact O-N 3.27Å; M71-I73 PolarHBondContact O-N 2.84Å; I73-I75 VanDerWaalsContact C-N 3.34Å; I73-I75 PolarHBondContact O-N 2.8Å; I73-T76 PolarHBondContact O-N 2.88Å; I73-T76 PolarHBondContact O-OG1 3.06Å; I73-Q77 HydrophobicContact CG2-CG 4.07Å; I73-Q77 VanDerWaalsContact O-CB 3.27Å; I73-Q77 WeakPolarHBondContact O-CB 3.37Å; I73-Q77 VanDerWaalsContact O-CG 3.25Å; I73-Q77 WeakPolarHBondContact O-CG 3.41Å; I73-Q77 PolarHBondContact O-N 3.36Å
74	I	93.7	Very high	91.1	Very high	84 Å²	84	94.2 Å²	94.2	43%	0.431	50%	0.495	S	S	.	.	H	α-helix	trans	-57.7	-47.5	176.8	-72.8	167.7	0	0	0	110.8	G70 M71 L78	G70-I74 VanDerWaalsContact O-CG1 3.3Å; G70-I74 WeakPolarHBondContact O-CG1 3.49Å; G70-I74 PolarHBondContact O-N 2.92Å; M71-I74 PolarHBondContact O-N 3.24Å; I74-L78 HydrophobicContact CG2-CD1 4.17Å; I74-L78 VanDerWaalsContact O-CB 3.27Å; I74-L78 WeakPolarHBondContact O-CB 3.4Å; I74-L78 PolarHBondContact O-N 3.4Å
75	I	91.8	Very high	90.5	Very high	65 Å²	65	92.4 Å²	92.4	33%	0.333	49%	0.489	S	S	.	.	I	π-helix	trans	-64.8	-48.3	-179.5	-67.5	164.4	0	0	0	110.8	M71 L72 I73 Q77 I79 I80	M71-I75 WeakPolarHBondContact O-CB 3.42Å; M71-I75 WeakPolarHBondContact O-CD1 3.31Å; M71-I75 WeakPolarHBondContact O-CG1 3.41Å; M71-I75 PolarHBondContact O-N 2.85Å; L72-I75 PolarHBondContact O-N 3.03Å; I73-I75 VanDerWaalsContact C-N 3.34Å; I73-I75 PolarHBondContact O-N 2.8Å; I75-Q77 PolarHBondContact O-N 3.44Å; I75-I79 HydrophobicContact CB-CD1 4.49Å; I75-I79 HydrophobicContact CG1-CD1 4.12Å; I75-I79 WeakPolarHBondContact O-CB 2.95Å; I75-I79 PolarHBondContact O-N 2.93Å; I75-I80 HydrophobicContact CG2-CD1 3.87Å; I75-I80 HydrophobicContact CG2-CG1 4.31Å; I75-I80 PolarHBondContact O-N 2.81Å
76	T	89.1	Confident	89.9	Confident	58 Å²	58	96.1 Å²	96.1	36%	0.356	50%	0.497	S	S	.	.	I	π-helix	trans	-73.9	-21.7	-175.4	56	0	0	0	0	114.4	L72 I73	L72-T76 WeakPolarHBondContact O-CB 3.45Å; L72-T76 VanDerWaalsContact O-CG2 3.25Å; L72-T76 WeakPolarHBondContact O-CG2 3.33Å; L72-T76 PolarHBondContact O-N 3.41Å; L72-T76 PolarHBondContact O-OG1 3.45Å; I73-T76 PolarHBondContact O-N 2.88Å; I73-T76 PolarHBondContact O-OG1 3.06Å
77	Q	88	Confident	89.4	Confident	126 Å²	126	94.9 Å²	94.9	59%	0.589	49%	0.491	S	S	*	.	I	π-helix	trans	-104.4	-32.3	-178.6	-58.5	-59.4	-57.5	0	0	113.6	I73 I75	I73-Q77 HydrophobicContact CG2-CG 4.07Å; I73-Q77 VanDerWaalsContact O-CB 3.27Å; I73-Q77 WeakPolarHBondContact O-CB 3.37Å; I73-Q77 VanDerWaalsContact O-CG 3.25Å; I73-Q77 WeakPolarHBondContact O-CG 3.41Å; I73-Q77 PolarHBondContact O-N 3.36Å; I75-Q77 PolarHBondContact O-N 3.44Å
78	L	86.1	Confident	88.7	Confident	142 Å²	142	92.6 Å²	92.6	74%	0.743	48%	0.482	S	S	*	.	I	π-helix	trans	-101.7	-33.4	-176.8	-57.5	-176.8	0	0	0	113.7	I74	I74-L78 HydrophobicContact CG2-CD1 4.17Å; I74-L78 VanDerWaalsContact O-CB 3.27Å; I74-L78 WeakPolarHBondContact O-CB 3.4Å; I74-L78 PolarHBondContact O-N 3.4Å
79	I	86.1	Confident	88	Confident	94 Å²	94	89.1 Å²	89.1	48%	0.482	47%	0.471	S	S	.	.	I	π-helix	trans	-97.3	-47.8	-175.2	-55.5	178.1	0	0	0	110.4	I75 S81 Y86	I75-I79 HydrophobicContact CB-CD1 4.49Å; I75-I79 HydrophobicContact CG1-CD1 4.12Å; I75-I79 WeakPolarHBondContact O-CB 2.95Å; I75-I79 PolarHBondContact O-N 2.93Å; I79-S81 PolarHBondContact O-N 2.82Å; I79-Y86 HydrophobicContact CG2-CD2 4.45Å; I79-Y86 HydrophobicContact CG2-CE2 4.21Å
80	I	87.1	Confident	87.3	Confident	73 Å²	73	90.1 Å²	90.1	37%	0.374	48%	0.476	S	S	.	.	S	Bend	trans	-90.4	101.1	-178.8	-56.6	172.5	0	0	0	107.5	I75	I75-I80 HydrophobicContact CG2-CD1 3.87Å; I75-I80 HydrophobicContact CG2-CG1 4.31Å; I75-I80 PolarHBondContact O-N 2.81Å
81	S	82.7	Confident	86.7	Confident	55 Å²	55	95.6 Å²	95.6	39%	0.385	50%	0.498	S	S	.	.			trans	-67.3	148.5	169.8	-179.2	0	0	0	0	110.4	I79 D83	I79-S81 PolarHBondContact O-N 2.82Å; S81-D83 VanDerWaalsContact C-N 3.32Å; S81-D83 PolarHBondContact OG-N 3.14Å
82	N	81.5	Confident	86.2	Confident	128 Å²	128	91.3 Å²	91.3	68%	0.684	48%	0.479	S	S	*	.	S	Bend	trans	-80	-16.5	173.2	-67	-52.8	0	0	0	112.7
83	D	81.6	Confident	85.7	Confident	123 Å²	123	93.4 Å²	93.4	66%	0.658	50%	0.497	S	S	*	.	S	Bend	trans	-93.5	-12.8	-170.3	-55.6	-35.6	0	0	0	113.6	S81 M255	S81-D83 VanDerWaalsContact C-N 3.32Å; S81-D83 PolarHBondContact OG-N 3.14Å; D83-M255 WeakPolarHBondContact O-CE 3.27Å
84	Q	83.2	Confident	85.1	Confident	106 Å²	106	93.6 Å²	93.6	50%	0.495	50%	0.498	S	S	.	.	S	Bend	trans	-153.7	144.3	174.8	63.5	-176.4	2.5	0	0	110.9	Y197 M255	Q84-Y197 HydrophobicContact CB-CE1 4.11Å; Q84-Y197 HydrophobicContact CB-CE2 4.21Å; Q84-Y197 WeakPolarHBondContact CB-OH 3.09Å; Q84-M255 VanDerWaalsContact CA-CE 3.46Å
85	P	85.2	Confident	84.6	Confident	55 Å²	55	91.3 Å²	91.3	36%	0.357	49%	0.493	S	S	.	.			trans	-66.3	144.4	174.3	28.8	-32.2	0	0	0	110.2	I87 T88 Y197	P85-I87 VanDerWaalsContact C-N 3.29Å; P85-I87 PolarHBondContact O-N 2.03Å; P85-T88 HydrophobicContact CG-CG2 3.73Å; P85-Y197 HydrophobicContact CG-CD1 4.16Å; P85-Y197 HydrophobicContact CG-CD2 4.43Å; P85-Y197 HydrophobicContact CG-CG 3.9Å
86	Y	83.7	Confident	84.2	Confident	176 Å²	176	90.5 Å²	90.5	69%	0.69	49%	0.489	S	S	*	.	S	Bend	trans	-61.1	-37	-178.2	177.9	-105.6	0	0	0	113	I79	I79-Y86 HydrophobicContact CG2-CD2 4.45Å; I79-Y86 HydrophobicContact CG2-CE2 4.21Å
87	I	86.5	Confident	84.1	Confident	86 Å²	86	89 Å²	89	44%	0.441	48%	0.48	S	S	.	.	S	Bend	trans	-110.1	117.8	179.5	-46	179.1	0	0	0	108.4	P85 D91	P85-I87 VanDerWaalsContact C-N 3.29Å; P85-I87 PolarHBondContact O-N 2.03Å; I87-D91 VanDerWaalsContact CG2-C 3.46Å; I87-D91 HydrophobicContact CG2-CB 3.87Å; I87-D91 VanDerWaalsContact CG2-O 3.26Å; I87-D91 WeakPolarHBondContact CG2-O 3.09Å
88	T	84.1	Confident	84.2	Confident	64 Å²	64	83 Å²	83	39%	0.393	45%	0.453	S	S	.	.			trans	-125.9	171.2	179.2	54	0	0	0	0	110.6	P85 Y197	P85-T88 HydrophobicContact CG-CG2 3.73Å; T88-Y197 HydrophobicContact CG2-CD1 3.66Å; T88-Y197 HydrophobicContact CG2-CE1 4.15Å
89	G	81.3	Confident	84.4	Confident	23 Å²	23	77.1 Å²	77.1	24%	0.237	43%	0.426	C	S	.	.	G	3₁₀ helix	trans	70.1	-145	173.9	0	0	0	0	0	113.9	D91 S92	G89-D91 VanDerWaalsContact C-N 3.29Å; G89-D91 PolarHBondContact O-N 2.87Å; G89-S92 VanDerWaalsContact O-CB 3.32Å; G89-S92 WeakPolarHBondContact O-CB 3.41Å; G89-S92 PolarHBondContact O-N 3.36Å; G89-S92 PolarHBondContact O-OG 2.78Å
90	M	81.1	Confident	84.7	Confident	120 Å²	120	73.1 Å²	73.1	59%	0.591	41%	0.405	S	S	*	.	G	3₁₀ helix	trans	-70.9	-23.6	-177.3	-67.5	-60.4	-69.7	0	0	113.4	S92 L96	M90-S92 PolarHBondContact O-N 2.83Å; M90-L96 HydrophobicContact CG-CD1 4.05Å; M90-L96 HydrophobicContact SD-CB 4.23Å; M90-L96 HydrophobicContact SD-CD1 3.87Å
91	D	84.6	Confident	84.9	Confident	143 Å²	143	70.4 Å²	70.4	77%	0.765	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-75.9	-14.3	175.6	-62.2	-38	0	0	0	112	I87 G89	I87-D91 VanDerWaalsContact CG2-C 3.46Å; I87-D91 HydrophobicContact CG2-CB 3.87Å; I87-D91 VanDerWaalsContact CG2-O 3.26Å; I87-D91 WeakPolarHBondContact CG2-O 3.09Å; G89-D91 VanDerWaalsContact C-N 3.29Å; G89-D91 PolarHBondContact O-N 2.87Å
92	S	84	Confident	85.4	Confident	15 Å²	15	68.1 Å²	68.1	11%	0.105	38%	0.379	C	S	.	.	S	Bend	trans	-65.4	147.1	176.3	73.2	0	0	0	0	110.4	G89 M90 L94 A95	G89-S92 VanDerWaalsContact O-CB 3.32Å; G89-S92 WeakPolarHBondContact O-CB 3.41Å; G89-S92 PolarHBondContact O-N 3.36Å; G89-S92 PolarHBondContact O-OG 2.78Å; M90-S92 PolarHBondContact O-N 2.83Å; S92-L94 PolarHBondContact O-N 2.79Å; S92-A95 PolarHBondContact O-N 3.05Å; S92-A95 PolarHBondContact OG-N 2.98Å
93	P	83.4	Confident	86	Confident	127 Å²	127	66.2 Å²	66.2	83%	0.825	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-20.6	175	-26.4	34.7	0	0	0	114.2
94	L	81.9	Confident	86.6	Confident	102 Å²	102	60.4 Å²	60.4	53%	0.534	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-9.9	177.1	-59.2	177.3	0	0	0	112.9	S92 L96 S97 V196	S92-L94 PolarHBondContact O-N 2.79Å; L94-L96 PolarHBondContact O-N 3.04Å; L94-L96 VanDerWaalsContact O-N 3.13Å; L94-S97 VanDerWaalsContact O-CB 3.29Å; L94-S97 WeakPolarHBondContact O-CB 3.19Å; L94-S97 PolarHBondContact O-N 2.79Å; L94-V196 HydrophobicContact CD1-CG2 4.06Å
95	A	83.7	Confident	87	Confident	37 Å²	37	60.3 Å²	60.3	31%	0.306	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.8	44.5	-179.4	0	0	0	0	0	113.6	S92 S97	S92-A95 PolarHBondContact O-N 3.05Å; S92-A95 PolarHBondContact OG-N 2.98Å; A95-S97 PolarHBondContact O-N 2.99Å; A95-S97 PolarHBondContact O-OG 3Å
96	L	83.2	Confident	87	Confident	48 Å²	48	61.9 Å²	61.9	25%	0.251	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	27	-175.8	-77.9	160.6	0	0	0	114.2	M90 L94 P98 W199	M90-L96 HydrophobicContact CG-CD1 4.05Å; M90-L96 HydrophobicContact SD-CB 4.23Å; M90-L96 HydrophobicContact SD-CD1 3.87Å; L94-L96 PolarHBondContact O-N 3.04Å; L94-L96 VanDerWaalsContact O-N 3.13Å; L96-P98 WeakPolarHBondContact O-CD 3.48Å; L96-W199 HydrophobicContact CD2-CB 4.07Å; L96-W199 HydrophobicContact CD2-CG 4.4Å; L96-W199 PolarHBondContact O-NE1 3.1Å
97	S	87.8	Confident	87.2	Confident	26 Å²	26	56.1 Å²	56.1	18%	0.182	31%	0.313	C	S	.	.			trans	-111.2	99.2	-177.2	-55.7	0	0	0	0	109.2	L94 A95 N288	L94-S97 VanDerWaalsContact O-CB 3.29Å; L94-S97 WeakPolarHBondContact O-CB 3.19Å; L94-S97 PolarHBondContact O-N 2.79Å; A95-S97 PolarHBondContact O-N 2.99Å; A95-S97 PolarHBondContact O-OG 3Å; S97-N288 WeakPolarHBondContact CB-O 3.48Å; S97-N288 PolarHBondContact OG-O 2.87Å
98	P	89.5	Confident	87	Confident	1 Å²	1	60.3 Å²	60.3	1%	0.006	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-77.3	132.1	-178.2	32.9	-36.4	0	0	0	110.7	L96 I193 V196 W199 L283 G290	L96-P98 WeakPolarHBondContact O-CD 3.48Å; P98-I193 HydrophobicContact CB-CG2 3.58Å; P98-I193 HydrophobicContact CG-CG2 3.95Å; P98-V196 HydrophobicContact CB-CG2 3.81Å; P98-W199 HydrophobicContact CG-CD2 3.85Å; P98-W199 VanDerWaalsContact CG-CE2 3.5Å; P98-W199 HydrophobicContact CG-CE3 4.12Å; P98-W199 HydrophobicContact CG-CH2 3.71Å; P98-W199 HydrophobicContact CG-CZ2 3.43Å; P98-W199 VanDerWaalsContact CG-CZ2 3.43Å; P98-W199 HydrophobicContact CG-CZ3 4.05Å; P98-L283 HydrophobicContact CG-CD1 4.42Å; P98-L283 WeakPolarHBondContact O-CD1 3.5Å; P98-G290 PolarHBondContact O-N 3.04Å
99	G	89.2	Confident	87.1	Confident	17 Å²	17	65 Å²	65	18%	0.175	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-77.8	167.1	169.5	0	0	0	0	0	112.8	N194	G99-N194 WeakPolarHBondContact O-CB 3.46Å; G99-N194 PolarHBondContact O-N 3.48Å
100	L	92.9	Very high	87.3	Confident	11 Å²	11	67 Å²	67	6%	0.058	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.9	170.8	-75.8	171.6	0	0	0	110.8	M191 I193 V214 F246 C281 L283 M293	L100-M191 HydrophobicContact CB-CE 3.96Å; L100-M191 HydrophobicContact CD1-CE 4.13Å; L100-M191 HydrophobicContact CD2-CE 4.41Å; L100-M191 HydrophobicContact CG-CE 4.41Å; L100-I193 HydrophobicContact CD2-CG1 4.07Å; L100-V214 HydrophobicContact CD1-CG2 3.92Å; L100-V214 HydrophobicContact CD2-CG2 4.47Å; L100-F246 HydrophobicContact CD2-CE2 4.07Å; L100-F246 HydrophobicContact CD2-CZ 4.17Å; L100-C281 HydrophobicContact CD1-CB 4.41Å; L100-L283 HydrophobicContact CD1-CD2 4.25Å; L100-L283 HydrophobicContact CD1-CG 3.9Å; L100-L283 HydrophobicContact CD2-CD1 4.36Å; L100-L283 HydrophobicContact CD2-CD2 3.74Å; L100-L283 HydrophobicContact CD2-CG 3.95Å; L100-L283 HydrophobicContact CG-CD1 4.21Å; L100-L283 HydrophobicContact CG-CD2 4.15Å; L100-L283 HydrophobicContact CG-CG 3.79Å; L100-M293 HydrophobicContact CB-CB 3.81Å
101	G	91.7	Very high	87.7	Confident	16 Å²	16	63.3 Å²	63.3	17%	0.165	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	141.8	167.6	0	0	0	0	0	110.2	M191 K192	G101-M191 WeakPolarHBondContact O-CA 3.46Å; G101-K192 PolarHBondContact N-O 2.89Å; G101-K192 PolarHBondContact O-N 3Å
102	M	93.5	Very high	88.1	Confident	7 Å²	7	59 Å²	59	3%	0.034	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	153.7	172.4	73.1	-180	-76.3	0	0	111	T111 I113 V189 I190 M191 M293 F295	M102-T111 HydrophobicContact SD-CG2 4.42Å; M102-I113 HydrophobicContact CE-CD1 3.69Å; M102-I113 HydrophobicContact CE-CG1 4.3Å; M102-V189 HydrophobicContact CB-CG1 3.99Å; M102-V189 HydrophobicContact CE-CG1 4.22Å; M102-I190 CarbonylContact C-O 3.46Å; M102-I190 WeakPolarHBondContact CA-O 3.42Å; M102-M191 HydrophobicContact CB-SD 3.88Å; M102-M293 HydrophobicContact CB-CG 4.28Å; M102-M293 HydrophobicContact CG-CE 3.76Å; M102-M293 HydrophobicContact CG-CG 4.5Å; M102-M293 HydrophobicContact SD-CE 3.46Å; M102-M293 WeakPolarHBondContact SD-CE 3.35Å; M102-F295 HydrophobicContact CE-CB 3.72Å; M102-F295 HydrophobicContact CE-CD1 4.13Å; M102-F295 HydrophobicContact CE-CD2 3.58Å; M102-F295 HydrophobicContact CE-CE2 4.13Å; M102-F295 HydrophobicContact CE-CG 3.56Å; M102-F295 HydrophobicContact SD-CB 3.32Å; M102-F295 WeakPolarHBondContact SD-CB 3.12Å; M102-F295 HydrophobicContact SD-CD1 3.84Å; M102-F295 HydrophobicContact SD-CD2 4.24Å; M102-F295 HydrophobicContact SD-CG 3.57Å; M102-F295 VanDerWaalsContact SD-CG 3.57Å
103	R	93.9	Very high	88.6	Confident	87 Å²	87	58.3 Å²	58.3	33%	0.328	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	141.1	161.9	-69.8	-61.1	-169.2	116.4	-0.1	109.1	D129 F133 V189 I190	R103-D129 IonicContact NH1-OD1 3.01Å; R103-D129 PolarHBondContact NH1-OD1 2.98Å; R103-D129 IonicContact NH1-OD2 3.4Å; R103-D129 PolarHBondContact NH1-OD2 2.88Å; R103-F133 HydrophobicContact CB-CD1 4.48Å; R103-F133 HydrophobicContact CG-CD1 4.18Å; R103-F133 HydrophobicContact CG-CD2 4.18Å; R103-F133 HydrophobicContact CG-CE1 4.35Å; R103-F133 HydrophobicContact CG-CE2 4.34Å; R103-F133 HydrophobicContact CG-CG 4.08Å; R103-F133 HydrophobicContact CG-CZ 4.41Å; R103-V189 CarbonylContact O-C 3.56Å; R103-V189 WeakPolarHBondContact O-CA 3.41Å; R103-V189 WeakPolarHBondContact O-CG1 3.41Å; R103-I190 HydrophobicContact CB-CB 4.31Å; R103-I190 PolarHBondContact N-O 3.14Å; R103-I190 PolarHBondContact O-N 3.31Å
104	P	94.3	Very high	89	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.013	28%	0.283	C	S	.	.			cis	-82.8	158.5	9.3	26.7	-23.4	0	0	0	113.8	I113 F126 D129 I130 Y182	P104-I113 HydrophobicContact CG-CD1 4.48Å; P104-F126 HydrophobicContact CB-CB 4.29Å; P104-F126 HydrophobicContact CB-CD1 4.19Å; P104-F126 HydrophobicContact CG-CB 3.75Å; P104-F126 HydrophobicContact CG-CD1 3.83Å; P104-F126 HydrophobicContact CG-CG 4.22Å; P104-D129 WeakPolarHBondContact CA-OD2 3.39Å; P104-D129 HydrophobicContact CB-CB 3.96Å; P104-D129 WeakPolarHBondContact CB-OD2 3.1Å; P104-I130 HydrophobicContact CB-CD1 4.48Å; P104-I130 HydrophobicContact CB-CG1 3.89Å; P104-I130 HydrophobicContact CG-CD1 3.96Å; P104-I130 HydrophobicContact CG-CG1 3.92Å; P104-Y182 WeakPolarHBondContact CD-OH 3.01Å; P104-Y182 WeakPolarHBondContact CG-OH 3Å
105	R	90.8	Very high	89.7	Confident	104 Å²	104	49.4 Å²	49.4	39%	0.392	26%	0.258	S	S	.	.			trans	-139.2	94.6	169.3	-174.9	-177.3	-62.1	-172	-0.5	108.8	D107 D129 M293	R105-D107 WeakPolarHBondContact CG-O 3.04Å; R105-D129 PolarHBondContact N-OD2 2.91Å; R105-M293 VanDerWaalsContact NH2-CE 3.32Å
106	N	86.6	Confident	90.2	Very high	87 Å²	87	48.4 Å²	48.4	47%	0.465	25%	0.25	S	C	.	.			trans	-79.1	-37.7	-176	60.5	-18.3	0	0	0	113.1	F126	N106-F126 HydrophobicContact CB-CD1 4.41Å; N106-F126 HydrophobicContact CB-CE1 4.21Å; N106-F126 VanDerWaalsContact CG-CE1 3.43Å; N106-F126 WeakPolarHBondContact ND2-CE1 3.29Å; N106-F126 WeakPolarHBondContact ND2-CZ 3.33Å
107	D	87	Confident	90.5	Very high	56 Å²	56	47.2 Å²	47.2	30%	0.299	25%	0.245	S	C	.	.			trans	-106.2	144.6	173.8	-164.3	-20.6	0	0	0	110.4	R105 K109 T110	R105-D107 WeakPolarHBondContact CG-O 3.04Å; D107-K109 VanDerWaalsContact C-N 3.34Å; D107-K109 PolarHBondContact OD1-N 2.75Å; D107-T110 VanDerWaalsContact O-O 3.11Å
108	F	82.8	Confident	90.7	Very high	174 Å²	174	51.1 Å²	51.1	76%	0.763	27%	0.272	S	S	*	.	S	Bend	trans	-79.8	-19.2	173.5	58.4	-84.9	0	0	0	112.6
109	K	84.9	Confident	90.9	Very high	161 Å²	161	54.2 Å²	54.2	70%	0.7	29%	0.289	S	S	*	.	S	Bend	trans	-90.8	-30.8	-178.5	-61.4	-176.2	-178.2	176.1	0	113.5	D107	D107-K109 VanDerWaalsContact C-N 3.34Å; D107-K109 PolarHBondContact OD1-N 2.75Å
110	T	86.8	Confident	91.1	Very high	66 Å²	66	55.9 Å²	55.9	41%	0.405	30%	0.297	S	S	.	.			trans	-126.9	147.7	-173.9	65	0	0	0	0	110.4	D107	D107-T110 VanDerWaalsContact O-O 3.11Å
111	T	89.5	Confident	91.1	Very high	42 Å²	42	62.5 Å²	62.5	26%	0.258	33%	0.327	S	S	.	.			trans	-105.2	23.8	174.3	51.1	0	0	0	0	111.2	M102 M293 E296	M102-T111 HydrophobicContact SD-CG2 4.42Å; T111-M293 HydrophobicContact CG2-CE 3.92Å; T111-E296 PolarHBondContact O-N 2.7Å
112	L	93	Very high	91.2	Very high	53 Å²	53	63.9 Å²	63.9	28%	0.277	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	124.9	-175.7	175.4	64.8	0	0	0	111.5	A114 L276 E296	L112-A114 HydrophobicContact CD1-CB 4.18Å; L112-A114 HydrophobicContact CD2-CB 4.07Å; L112-A114 HydrophobicContact CG-CB 3.93Å; L112-L276 HydrophobicContact CD1-CD1 3.61Å; L112-E296 HydrophobicContact CB-CB 4.49Å; L112-E296 HydrophobicContact CD1-CB 3.65Å
113	I	93.4	Very high	91.3	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.005	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	89.8	169.8	-57.3	174.6	0	0	0	107.6	M102 P104 Y115 F126 Y182 V189 F295 E296 I297 L298	M102-I113 HydrophobicContact CE-CD1 3.69Å; M102-I113 HydrophobicContact CE-CG1 4.3Å; P104-I113 HydrophobicContact CG-CD1 4.48Å; I113-Y115 HydrophobicContact CG2-CD1 3.98Å; I113-Y115 HydrophobicContact CG2-CE1 4.19Å; I113-F126 HydrophobicContact CB-CE1 4.46Å; I113-F126 HydrophobicContact CG1-CE1 4.35Å; I113-F126 HydrophobicContact CG2-CD1 4.42Å; I113-F126 HydrophobicContact CG2-CE1 4.3Å; I113-F126 HydrophobicContact CG2-CE2 4.45Å; I113-F126 HydrophobicContact CG2-CZ 4.33Å; I113-Y182 HydrophobicContact CG2-CE1 3.87Å; I113-V189 HydrophobicContact CD1-CG2 3.76Å; I113-F295 HydrophobicContact CD1-CD2 4.3Å; I113-F295 HydrophobicContact CD1-CE2 4.31Å; I113-E296 PolarHBondContact N-O 3.03Å; I113-I297 CarbonylContact O-C 3.49Å; I113-I297 WeakPolarHBondContact O-CA 3.48Å; I113-L298 PolarHBondContact O-N 3.48Å
114	A	93.6	Very high	91.3	Very high	38 Å²	38	63.6 Å²	63.6	31%	0.314	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121	177.3	0	0	0	0	0	110.4	L112 F126 L298	L112-A114 HydrophobicContact CD1-CB 4.18Å; L112-A114 HydrophobicContact CD2-CB 4.07Å; L112-A114 HydrophobicContact CG-CB 3.93Å; A114-F126 WeakPolarHBondContact O-CE2 3.4Å; A114-L298 VanDerWaalsContact CA-O 3.29Å; A114-L298 WeakPolarHBondContact CA-O 3.48Å; A114-L298 HydrophobicContact CB-CB 4.02Å; A114-L298 HydrophobicContact CB-CD2 4.22Å
115	Y	94.9	Very high	91.3	Very high	4 Å²	4	66.8 Å²	66.8	2%	0.016	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	158.3	178.3	73.3	-85.6	0	0	0	112.8	I113 Y123 Y182 P187 L298 V299 D300	I113-Y115 HydrophobicContact CG2-CD1 3.98Å; I113-Y115 HydrophobicContact CG2-CE1 4.19Å; Y115-Y123 HydrophobicContact CD2-CD1 4.41Å; Y115-Y123 HydrophobicContact CD2-CG 4.42Å; Y115-Y182 AromaticContact CD1-CD1 3.83Å; Y115-Y182 HydrophobicContact CD1-CD1 3.83Å; Y115-Y182 HydrophobicContact CD1-CE1 4.08Å; Y115-Y182 HydrophobicContact CD2-CD1 4.39Å; Y115-Y182 AromaticContact CE1-CD1 3.46Å; Y115-Y182 HydrophobicContact CE1-CD1 3.46Å; Y115-Y182 VanDerWaalsContact CE1-CD1 3.46Å; Y115-Y182 AromaticContact CE1-CE1 3.75Å; Y115-Y182 HydrophobicContact CE1-CE1 3.75Å; Y115-Y182 HydrophobicContact CE2-CD1 4.09Å; Y115-Y182 WeakPolarHBondContact CE2-O 3.43Å; Y115-Y182 HydrophobicContact CG-CD1 4.27Å; Y115-Y182 AromaticContact CZ-CD1 3.59Å; Y115-P187 HydrophobicContact CE1-CB 3.95Å; Y115-P187 HydrophobicContact CE1-CG 4.23Å; Y115-P187 WeakPolarHBondContact OH-CB 3.36Å; Y115-P187 VanDerWaalsContact OH-CD 3.27Å; Y115-P187 WeakPolarHBondContact OH-CD 3.36Å; Y115-L298 PolarHBondContact N-O 2.76Å; Y115-V299 HydrophobicContact CE1-CG2 4.02Å; Y115-V299 HydrophobicContact CE2-CG1 4.2Å; Y115-D300 PolarHBondContact O-N 3.16Å
116	A	94.6	Very high	91.5	Very high	16 Å²	16	62.1 Å²	62.1	13%	0.132	34%	0.338	C	S	.	.			trans	-102.5	126.5	170.4	0	0	0	0	0	109.9	S118 D119 T122 D300	A116-S118 PolarHBondContact O-N 3.1Å; A116-D119 HydrophobicContact CB-CB 4.46Å; A116-D119 PolarHBondContact O-N 3.18Å; A116-T122 PolarHBondContact N-OG1 3.48Å; A116-T122 PolarHBondContact O-OG1 3.46Å; A116-D300 HydrophobicContact CB-CB 3.85Å
117	S	89.7	Confident	91.9	Very high	23 Å²	23	58 Å²	58	16%	0.161	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-27.5	-179.8	47.1	0	0	0	0	113.3	S185 D300	S117-S185 WeakPolarHBondContact CB-OG 3.4Å; S117-S185 PolarHBondContact OG-OG 3.46Å; S117-D300 PolarHBondContact N-O 2.79Å; S117-D300 VanDerWaalsContact N-O 3.1Å; S117-D300 PolarHBondContact OG-O 3.12Å; S117-D300 VanDerWaalsContact OG-O 3.08Å
118	S	92	Very high	92.3	Very high	107 Å²	107	60.3 Å²	60.3	75%	0.748	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-24.2	177.4	56.7	0	0	0	0	114.5	A116 P120	A116-S118 PolarHBondContact O-N 3.1Å; S118-P120 WeakPolarHBondContact O-CD 3.22Å
119	D	94.6	Very high	92.9	Very high	67 Å²	67	53.7 Å²	53.7	36%	0.358	30%	0.298	S	S	.	.			trans	-111.1	105.2	-177.2	-176	3.5	0	0	0	111.4	A116 Q121 T122 Y123	A116-D119 HydrophobicContact CB-CB 4.46Å; A116-D119 PolarHBondContact O-N 3.18Å; D119-Q121 PolarHBondContact O-N 3.33Å; D119-Q121 VanDerWaalsContact O-N 3.15Å; D119-Q121 WeakPolarHBondContact OD1-CB 3.35Å; D119-Q121 PolarHBondContact OD1-N 3.29Å; D119-T122 HydrophobicContact CB-CG2 3.92Å; D119-T122 PolarHBondContact O-N 3.04Å; D119-T122 PolarHBondContact O-OG1 2.98Å; D119-Y123 WeakPolarHBondContact O-CD1 3.4Å
120	P	93.2	Very high	93.4	Very high	52 Å²	52	46 Å²	46	34%	0.338	27%	0.265	S	S	.	.	H	α-helix	trans	-54.8	-30.7	175.2	-25.2	34.7	0	0	0	114.6	S118 T122 Y123 M124	S118-P120 WeakPolarHBondContact O-CD 3.22Å; P120-T122 PolarHBondContact O-N 3.22Å; P120-Y123 HydrophobicContact CB-CE1 4.15Å; P120-Y123 HydrophobicContact CG-CE1 4.31Å; P120-Y123 PolarHBondContact O-N 3.28Å; P120-M124 HydrophobicContact CB-CG 4.37Å; P120-M124 WeakPolarHBondContact O-CB 3.41Å; P120-M124 WeakPolarHBondContact O-CG 3.47Å; P120-M124 PolarHBondContact O-N 3.06Å
121	Q	93.1	Very high	93.8	Very high	149 Å²	149	46.2 Å²	46.2	70%	0.696	26%	0.258	S	S	*	.	H	α-helix	trans	-65.9	-27.3	-179	-60.2	-54.6	-64.2	0	0	112	D119 P125	D119-Q121 PolarHBondContact O-N 3.33Å; D119-Q121 VanDerWaalsContact O-N 3.15Å; D119-Q121 WeakPolarHBondContact OD1-CB 3.35Å; D119-Q121 PolarHBondContact OD1-N 3.29Å; Q121-P125 WeakPolarHBondContact O-CD 3.42Å
122	T	93.7	Very high	94	Very high	46 Å²	46	47.5 Å²	47.5	28%	0.282	27%	0.266	S	S	.	.	H	α-helix	trans	-76.8	-43.4	179.8	67.9	0	0	0	0	112.4	A116 D119 P120 P125	A116-T122 PolarHBondContact N-OG1 3.48Å; A116-T122 PolarHBondContact O-OG1 3.46Å; D119-T122 HydrophobicContact CB-CG2 3.92Å; D119-T122 PolarHBondContact O-N 3.04Å; D119-T122 PolarHBondContact O-OG1 2.98Å; P120-T122 PolarHBondContact O-N 3.22Å; T122-P125 WeakPolarHBondContact O-CD 3.32Å
123	Y	94.6	Very high	94	Very high	19 Å²	19	45.8 Å²	45.8	8%	0.075	26%	0.256	C	S	.	.	H	α-helix	trans	-93	-22.2	-174.4	70.7	-107.4	0	0	0	114.8	Y115 D119 P120 P125 F126 V127	Y115-Y123 HydrophobicContact CD2-CD1 4.41Å; Y115-Y123 HydrophobicContact CD2-CG 4.42Å; D119-Y123 WeakPolarHBondContact O-CD1 3.4Å; P120-Y123 HydrophobicContact CB-CE1 4.15Å; P120-Y123 HydrophobicContact CG-CE1 4.31Å; P120-Y123 PolarHBondContact O-N 3.28Å; Y123-P125 VanDerWaalsContact C-CD 3.41Å; Y123-P125 VanDerWaalsContact C-N 3.35Å; Y123-F126 WeakPolarHBondContact O-CB 3.43Å; Y123-F126 PolarHBondContact O-N 3.06Å; Y123-F126 VanDerWaalsContact O-N 3.08Å; Y123-V127 HydrophobicContact CD2-CG2 3.83Å; Y123-V127 HydrophobicContact CE2-CG2 4.39Å; Y123-V127 PolarHBondContact O-N 2.81Å; Y123-V127 VanDerWaalsContact O-N 3.13Å
124	M	94.9	Very high	94	Very high	69 Å²	69	45.8 Å²	45.8	34%	0.34	26%	0.256	S	S	.	.	H	α-helix	trans	-55.9	-37.4	-179.3	-82.5	-73.1	-172.2	0	0	114.6	P120 F126 V127 Q128	P120-M124 HydrophobicContact CB-CG 4.37Å; P120-M124 WeakPolarHBondContact O-CB 3.41Å; P120-M124 WeakPolarHBondContact O-CG 3.47Å; P120-M124 PolarHBondContact O-N 3.06Å; M124-F126 VanDerWaalsContact C-N 3.29Å; M124-F126 PolarHBondContact O-N 3.15Å; M124-V127 PolarHBondContact O-N 2.88Å; M124-Q128 WeakPolarHBondContact O-CB 3.38Å; M124-Q128 PolarHBondContact O-N 3.44Å
125	P	94.3	Very high	94.1	Very high	68 Å²	68	50.3 Å²	50.3	44%	0.442	27%	0.266	S	S	.	.	H	α-helix	trans	-57.8	-40.1	174.8	-26.2	35.5	0	0	0	113	Q121 T122 Y123 Q128 D129	Q121-P125 WeakPolarHBondContact O-CD 3.42Å; T122-P125 WeakPolarHBondContact O-CD 3.32Å; Y123-P125 VanDerWaalsContact C-CD 3.41Å; Y123-P125 VanDerWaalsContact C-N 3.35Å; P125-Q128 PolarHBondContact O-N 3.29Å; P125-D129 PolarHBondContact O-N 3.3Å
126	F	94.3	Very high	93.9	Very high	7 Å²	7	55 Å²	55	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-68	-46.7	177	-62	-67.3	0	0	0	111.3	P104 N106 I113 A114 Y123 M124 Q128 D129 I130 Y182	P104-F126 HydrophobicContact CB-CB 4.29Å; P104-F126 HydrophobicContact CB-CD1 4.19Å; P104-F126 HydrophobicContact CG-CB 3.75Å; P104-F126 HydrophobicContact CG-CD1 3.83Å; P104-F126 HydrophobicContact CG-CG 4.22Å; N106-F126 HydrophobicContact CB-CD1 4.41Å; N106-F126 HydrophobicContact CB-CE1 4.21Å; N106-F126 VanDerWaalsContact CG-CE1 3.43Å; N106-F126 WeakPolarHBondContact ND2-CE1 3.29Å; N106-F126 WeakPolarHBondContact ND2-CZ 3.33Å; I113-F126 HydrophobicContact CB-CE1 4.46Å; I113-F126 HydrophobicContact CG1-CE1 4.35Å; I113-F126 HydrophobicContact CG2-CD1 4.42Å; I113-F126 HydrophobicContact CG2-CE1 4.3Å; I113-F126 HydrophobicContact CG2-CE2 4.45Å; I113-F126 HydrophobicContact CG2-CZ 4.33Å; A114-F126 WeakPolarHBondContact O-CE2 3.4Å; Y123-F126 WeakPolarHBondContact O-CB 3.43Å; Y123-F126 PolarHBondContact O-N 3.06Å; Y123-F126 VanDerWaalsContact O-N 3.08Å; M124-F126 VanDerWaalsContact C-N 3.29Å; M124-F126 PolarHBondContact O-N 3.15Å; F126-Q128 VanDerWaalsContact C-N 3.25Å; F126-Q128 PolarHBondContact O-N 2.9Å; F126-D129 PolarHBondContact O-N 3.03Å; F126-I130 WeakPolarHBondContact O-CG1 3.45Å; F126-I130 PolarHBondContact O-N 2.77Å; F126-I130 VanDerWaalsContact O-N 3.09Å; F126-Y182 HydrophobicContact CB-CD1 4.4Å; F126-Y182 HydrophobicContact CB-CE1 3.87Å; F126-Y182 HydrophobicContact CD2-CE1 4.44Å; F126-Y182 HydrophobicContact CG-CE1 4.28Å
127	V	95.4	Very high	93.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.9	-40.5	176.9	174.2	0	0	0	0	110.9	Y123 M124 I130 R131 N179 F180 Y182	Y123-V127 HydrophobicContact CD2-CG2 3.83Å; Y123-V127 HydrophobicContact CE2-CG2 4.39Å; Y123-V127 PolarHBondContact O-N 2.81Å; Y123-V127 VanDerWaalsContact O-N 3.13Å; M124-V127 PolarHBondContact O-N 2.88Å; V127-I130 PolarHBondContact O-N 2.95Å; V127-R131 HydrophobicContact CG1-CG 4.47Å; V127-R131 WeakPolarHBondContact O-CG 3.29Å; V127-R131 PolarHBondContact O-N 2.74Å; V127-N179 HydrophobicContact CG1-CB 4.35Å; V127-N179 HydrophobicContact CG2-CB 4.16Å; V127-F180 HydrophobicContact CG1-CD2 4.02Å; V127-F180 HydrophobicContact CG1-CE2 4.08Å; V127-Y182 HydrophobicContact CG2-CD2 4.03Å; V127-Y182 HydrophobicContact CG2-CG 4.1Å
128	Q	95.6	Very high	94	Very high	105 Å²	105	56.2 Å²	56.2	49%	0.491	29%	0.287	S	S	.	.	H	α-helix	trans	-69.9	-40	-179.9	-169.1	64.5	1.6	0	0	112.4	M124 P125 F126 I130 R131 T132	M124-Q128 WeakPolarHBondContact O-CB 3.38Å; M124-Q128 PolarHBondContact O-N 3.44Å; P125-Q128 PolarHBondContact O-N 3.29Å; F126-Q128 VanDerWaalsContact C-N 3.25Å; F126-Q128 PolarHBondContact O-N 2.9Å; Q128-I130 VanDerWaalsContact C-N 3.3Å; Q128-I130 PolarHBondContact O-N 3.42Å; Q128-R131 PolarHBondContact O-N 2.94Å; Q128-T132 WeakPolarHBondContact O-CB 3.34Å; Q128-T132 PolarHBondContact O-N 2.94Å; Q128-T132 PolarHBondContact O-OG1 2.75Å; Q128-T132 VanDerWaalsContact O-OG1 3.13Å
129	D	94.4	Very high	94	Very high	35 Å²	35	55.2 Å²	55.2	19%	0.187	27%	0.27	C	S	.	.	H	α-helix	trans	-59	-42.9	172.7	-178.8	57.6	0	0	0	111.2	R103 P104 R105 P125 F126 T132 F133	R103-D129 IonicContact NH1-OD1 3.01Å; R103-D129 PolarHBondContact NH1-OD1 2.98Å; R103-D129 IonicContact NH1-OD2 3.4Å; R103-D129 PolarHBondContact NH1-OD2 2.88Å; P104-D129 WeakPolarHBondContact CA-OD2 3.39Å; P104-D129 HydrophobicContact CB-CB 3.96Å; P104-D129 WeakPolarHBondContact CB-OD2 3.1Å; R105-D129 PolarHBondContact N-OD2 2.91Å; P125-D129 PolarHBondContact O-N 3.3Å; F126-D129 PolarHBondContact O-N 3.03Å; D129-T132 PolarHBondContact O-N 2.79Å; D129-F133 WeakPolarHBondContact O-CB 2.99Å; D129-F133 PolarHBondContact O-N 3.45Å
130	I	95.2	Very high	93.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-44.9	175.5	-59.7	170.5	0	0	0	111	P104 F126 V127 Q128 T132 F133 L134 F180 Y182 I190	P104-I130 HydrophobicContact CB-CD1 4.48Å; P104-I130 HydrophobicContact CB-CG1 3.89Å; P104-I130 HydrophobicContact CG-CD1 3.96Å; P104-I130 HydrophobicContact CG-CG1 3.92Å; F126-I130 WeakPolarHBondContact O-CG1 3.45Å; F126-I130 PolarHBondContact O-N 2.77Å; F126-I130 VanDerWaalsContact O-N 3.09Å; V127-I130 PolarHBondContact O-N 2.95Å; Q128-I130 VanDerWaalsContact C-N 3.3Å; Q128-I130 PolarHBondContact O-N 3.42Å; I130-T132 PolarHBondContact O-N 2.83Å; I130-F133 WeakPolarHBondContact O-CB 3.36Å; I130-F133 PolarHBondContact O-N 2.79Å; I130-L134 HydrophobicContact CG2-CD1 3.89Å; I130-L134 HydrophobicContact CG2-CG 4.26Å; I130-L134 WeakPolarHBondContact O-CB 3.46Å; I130-L134 WeakPolarHBondContact O-CG 3.4Å; I130-L134 PolarHBondContact O-N 3.32Å; I130-F180 HydrophobicContact CB-CD2 3.91Å; I130-F180 HydrophobicContact CB-CE2 3.64Å; I130-F180 HydrophobicContact CB-CZ 4.05Å; I130-F180 HydrophobicContact CD1-CB 4.13Å; I130-F180 HydrophobicContact CD1-CD2 3.83Å; I130-F180 HydrophobicContact CD1-CE2 4.45Å; I130-F180 HydrophobicContact CD1-CG 3.97Å; I130-F180 HydrophobicContact CG1-CD2 4.49Å; I130-F180 HydrophobicContact CG2-CD1 3.89Å; I130-F180 HydrophobicContact CG2-CD2 3.8Å; I130-F180 HydrophobicContact CG2-CE1 3.57Å; I130-F180 HydrophobicContact CG2-CE2 3.44Å; I130-F180 VanDerWaalsContact CG2-CE2 3.44Å; I130-F180 HydrophobicContact CG2-CG 4.01Å; I130-F180 HydrophobicContact CG2-CZ 3.33Å; I130-Y182 HydrophobicContact CD1-CE2 3.71Å; I130-I190 HydrophobicContact CG2-CD1 3.44Å; I130-I190 VanDerWaalsContact CG2-CD1 3.44Å; I130-I190 HydrophobicContact CG2-CG1 4.29Å
131	R	94.9	Very high	93.6	Very high	69 Å²	69	51.2 Å²	51.2	26%	0.26	25%	0.246	S	C	.	.	H	α-helix	trans	-59.6	-46.8	178.1	-78	178.9	175.9	151	4.3	111.7	V127 Q128 F133 L134 Y135 K176 N179 F180	V127-R131 HydrophobicContact CG1-CG 4.47Å; V127-R131 WeakPolarHBondContact O-CG 3.29Å; V127-R131 PolarHBondContact O-N 2.74Å; Q128-R131 PolarHBondContact O-N 2.94Å; R131-F133 VanDerWaalsContact C-N 3.31Å; R131-F133 PolarHBondContact O-N 3.16Å; R131-L134 PolarHBondContact O-N 2.8Å; R131-Y135 PolarHBondContact O-N 3.49Å; R131-K176 HydrophobicContact CG-CG 4.39Å; R131-K176 PolarHBondContact NH2-O 3.07Å; R131-N179 PolarHBondContact NH2-OD1 3.22Å; R131-F180 HydrophobicContact CG-CE2 3.93Å; R131-F180 HydrophobicContact CG-CZ 4.26Å
132	T	95	Very high	93.5	Very high	69 Å²	69	51.1 Å²	51.1	42%	0.423	25%	0.249	S	C	.	.	H	α-helix	trans	-63.3	-39.1	177.2	-63.1	0	0	0	0	111.1	Q128 D129 I130 Y135 F136	Q128-T132 WeakPolarHBondContact O-CB 3.34Å; Q128-T132 PolarHBondContact O-N 2.94Å; Q128-T132 PolarHBondContact O-OG1 2.75Å; Q128-T132 VanDerWaalsContact O-OG1 3.13Å; D129-T132 PolarHBondContact O-N 2.79Å; I130-T132 PolarHBondContact O-N 2.83Å; T132-Y135 WeakPolarHBondContact O-CB 3.24Å; T132-F136 VanDerWaalsContact O-CD2 3.31Å; T132-F136 WeakPolarHBondContact O-CD2 3.43Å; T132-F136 WeakPolarHBondContact O-CE2 3.14Å
133	F	93.7	Very high	93.2	Very high	17 Å²	17	52.7 Å²	52.7	8%	0.075	25%	0.253	C	S	.	.	H	α-helix	trans	-64.2	-45.2	175	176.1	-107.8	0	0	0	112.7	R103 D129 I130 R131 Y135 F136 Y137 I190 K192 L263	R103-F133 HydrophobicContact CB-CD1 4.48Å; R103-F133 HydrophobicContact CG-CD1 4.18Å; R103-F133 HydrophobicContact CG-CD2 4.18Å; R103-F133 HydrophobicContact CG-CE1 4.35Å; R103-F133 HydrophobicContact CG-CE2 4.34Å; R103-F133 HydrophobicContact CG-CG 4.08Å; R103-F133 HydrophobicContact CG-CZ 4.41Å; D129-F133 WeakPolarHBondContact O-CB 2.99Å; D129-F133 PolarHBondContact O-N 3.45Å; I130-F133 WeakPolarHBondContact O-CB 3.36Å; I130-F133 PolarHBondContact O-N 2.79Å; R131-F133 VanDerWaalsContact C-N 3.31Å; R131-F133 PolarHBondContact O-N 3.16Å; F133-Y135 VanDerWaalsContact C-N 3.32Å; F133-Y135 PolarHBondContact O-N 3.31Å; F133-F136 PolarHBondContact O-N 2.93Å; F133-Y137 AromaticContact CE1-CE2 3.85Å; F133-Y137 HydrophobicContact CE1-CE2 3.85Å; F133-Y137 HydrophobicContact CE2-CE2 4.13Å; F133-Y137 AromaticContact CZ-CE2 3.65Å; F133-Y137 HydrophobicContact CZ-CE2 3.65Å; F133-I190 HydrophobicContact CE1-CG2 4.16Å; F133-K192 HydrophobicContact CZ-CD 4.07Å; F133-L263 HydrophobicContact CE1-CD1 3.87Å; F133-L263 HydrophobicContact CE1-CD2 3.75Å; F133-L263 HydrophobicContact CE1-CG 4.49Å; F133-L263 HydrophobicContact CZ-CD2 3.82Å
134	L	93.2	Very high	92.7	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.005	28%	0.278	C	S	.	.	H	α-helix	trans	-71.5	-25.1	-179.8	-71.4	175.7	0	0	0	113.5	I130 R131 F136 Y137 E138 M171 F180 I190 L263	I130-L134 HydrophobicContact CG2-CD1 3.89Å; I130-L134 HydrophobicContact CG2-CG 4.26Å; I130-L134 WeakPolarHBondContact O-CB 3.46Å; I130-L134 WeakPolarHBondContact O-CG 3.4Å; I130-L134 PolarHBondContact O-N 3.32Å; R131-L134 PolarHBondContact O-N 2.8Å; L134-F136 PolarHBondContact O-N 2.78Å; L134-Y137 WeakPolarHBondContact O-CB 3.46Å; L134-Y137 PolarHBondContact O-N 2.72Å; L134-E138 PolarHBondContact O-N 3.21Å; L134-M171 HydrophobicContact CD1-CE 3.63Å; L134-M171 HydrophobicContact CD1-SD 4.48Å; L134-M171 HydrophobicContact CD2-CE 3.53Å; L134-M171 HydrophobicContact CD2-SD 3.9Å; L134-M171 HydrophobicContact CG-CE 4.24Å; L134-F180 HydrophobicContact CD1-CE1 3.46Å; L134-F180 VanDerWaalsContact CD1-CE1 3.46Å; L134-F180 HydrophobicContact CD1-CZ 3.58Å; L134-I190 HydrophobicContact CD1-CD1 4.16Å; L134-I190 HydrophobicContact CD2-CD1 4.01Å; L134-I190 HydrophobicContact CG-CD1 4.14Å; L134-L263 HydrophobicContact CD2-CD1 3.81Å
135	Y	94.1	Very high	91.9	Very high	134 Å²	134	57.5 Å²	57.5	53%	0.525	28%	0.283	S	S	.	.	H	α-helix	trans	-53.8	-39.1	173.8	179.1	-97.1	0	0	0	111.8	R131 T132 F133 Y137 E138 E139	R131-Y135 PolarHBondContact O-N 3.49Å; T132-Y135 WeakPolarHBondContact O-CB 3.24Å; F133-Y135 VanDerWaalsContact C-N 3.32Å; F133-Y135 PolarHBondContact O-N 3.31Å; Y135-Y137 PolarHBondContact O-N 3.22Å; Y135-E138 PolarHBondContact O-N 3.38Å; Y135-E139 WeakPolarHBondContact O-CB 3.11Å; Y135-E139 PolarHBondContact O-N 3.36Å
136	F	91.9	Very high	91.1	Very high	103 Å²	103	61.7 Å²	61.7	45%	0.452	30%	0.302	S	S	.	.	H	α-helix	trans	-64.8	-22.1	176.9	-65	-68.7	0	0	0	114.3	T132 F133 L134 R260	T132-F136 VanDerWaalsContact O-CD2 3.31Å; T132-F136 WeakPolarHBondContact O-CD2 3.43Å; T132-F136 WeakPolarHBondContact O-CE2 3.14Å; F133-F136 PolarHBondContact O-N 2.93Å; L134-F136 PolarHBondContact O-N 2.78Å; F136-R260 PolarHBondContact O-NE 2.01Å; F136-R260 PolarHBondContact O-NH2 3.46Å
137	Y	92.9	Very high	90.3	Very high	7 Å²	7	63.3 Å²	63.3	3%	0.027	32%	0.321	C	S	.	.	H	α-helix	trans	-84.8	-42.6	174.3	-73.4	-101.2	0	0	0	110.7	F133 L134 Y135 E139 V140 N141 F166 R260 S261 L263	F133-Y137 AromaticContact CE1-CE2 3.85Å; F133-Y137 HydrophobicContact CE1-CE2 3.85Å; F133-Y137 HydrophobicContact CE2-CE2 4.13Å; F133-Y137 AromaticContact CZ-CE2 3.65Å; F133-Y137 HydrophobicContact CZ-CE2 3.65Å; L134-Y137 WeakPolarHBondContact O-CB 3.46Å; L134-Y137 PolarHBondContact O-N 2.72Å; Y135-Y137 PolarHBondContact O-N 3.22Å; Y137-E139 PolarHBondContact O-N 2.88Å; Y137-V140 PolarHBondContact O-N 3.47Å; Y137-N141 VanDerWaalsContact O-CG 3.23Å; Y137-N141 PolarHBondContact O-N 2.89Å; Y137-N141 PolarHBondContact O-ND2 3.33Å; Y137-F166 HydrophobicContact CD1-CB 4.11Å; Y137-F166 HydrophobicContact CD1-CD1 4.02Å; Y137-F166 HydrophobicContact CD1-CG 4.46Å; Y137-F166 HydrophobicContact CE1-CB 4.34Å; Y137-F166 HydrophobicContact CE1-CD1 4.32Å; Y137-R260 HydrophobicContact CD1-CB 3.85Å; Y137-R260 HydrophobicContact CD1-CG 4.15Å; Y137-R260 HydrophobicContact CE1-CB 3.56Å; Y137-R260 HydrophobicContact CE1-CG 4.21Å; Y137-S261 WeakPolarHBondContact CE1-O 3.46Å; Y137-S261 PolarHBondContact OH-O 2.88Å; Y137-L263 HydrophobicContact CD1-CD1 4.2Å; Y137-L263 HydrophobicContact CD2-CD1 4.17Å; Y137-L263 HydrophobicContact CE1-CD1 3.86Å; Y137-L263 HydrophobicContact CE1-CD2 4.34Å; Y137-L263 HydrophobicContact CE1-CG 3.88Å; Y137-L263 HydrophobicContact CE2-CD1 3.85Å; Y137-L263 HydrophobicContact CE2-CD2 4.32Å; Y137-L263 HydrophobicContact CE2-CG 4.39Å; Y137-L263 HydrophobicContact CG-CD1 4.36Å; Y137-L263 WeakPolarHBondContact OH-CD2 3.36Å
138	E	92.5	Very high	89.9	Confident	56 Å²	56	64.2 Å²	64.2	26%	0.262	33%	0.325	S	S	.	.	H	α-helix	trans	-62	-41.4	177.4	-70.7	172.3	175.2	0	0	112.6	L134 Y135 V140 N141 I142 P168 K176	L134-E138 PolarHBondContact O-N 3.21Å; Y135-E138 PolarHBondContact O-N 3.38Å; E138-V140 VanDerWaalsContact C-N 3.26Å; E138-V140 PolarHBondContact O-N 3.09Å; E138-N141 PolarHBondContact O-N 3.28Å; E138-I142 WeakPolarHBondContact O-CG1 3.15Å; E138-I142 PolarHBondContact O-N 2.85Å; E138-I142 VanDerWaalsContact O-N 3.13Å; E138-P168 HydrophobicContact CG-CG 4.11Å; E138-K176 WeakPolarHBondContact OE1-CE 3.37Å; E138-K176 IonicContact OE1-NZ 2.67Å; E138-K176 PolarHBondContact OE1-NZ 2.94Å; E138-K176 IonicContact OE2-NZ 2.63Å; E138-K176 PolarHBondContact OE2-NZ 3.22Å
139	E	91.7	Very high	89.6	Confident	87 Å²	87	59.4 Å²	59.4	41%	0.407	30%	0.303	S	S	.	.	H	α-helix	trans	-57.2	-40.4	176.3	-172.1	-174.4	164.8	0	0	112	Y135 Y137	Y135-E139 WeakPolarHBondContact O-CB 3.11Å; Y135-E139 PolarHBondContact O-N 3.36Å; Y137-E139 PolarHBondContact O-N 2.88Å
140	V	90.6	Very high	89.2	Confident	3 Å²	3	61.6 Å²	61.6	2%	0.018	32%	0.318	C	S	.	.	H	α-helix	trans	-70.3	-35.9	176.2	172.9	0	0	0	0	111.4	Y137 E138 I142 Q143 F148 K165 A258 R260	Y137-V140 PolarHBondContact O-N 3.47Å; E138-V140 VanDerWaalsContact C-N 3.26Å; E138-V140 PolarHBondContact O-N 3.09Å; V140-I142 VanDerWaalsContact C-N 3.28Å; V140-I142 PolarHBondContact O-N 3.48Å; V140-Q143 WeakPolarHBondContact O-CB 3.29Å; V140-Q143 PolarHBondContact O-N 3.42Å; V140-F148 HydrophobicContact CG1-CE1 3.52Å; V140-F148 HydrophobicContact CG1-CZ 3.72Å; V140-K165 WeakPolarHBondContact O-CE 3.49Å; V140-A258 HydrophobicContact CG1-CB 4.17Å; V140-A258 HydrophobicContact CG2-CB 4.33Å; V140-R260 HydrophobicContact CB-CG 4.38Å; V140-R260 HydrophobicContact CG1-CG 4.46Å; V140-R260 HydrophobicContact CG2-CG 4.01Å; V140-R260 VanDerWaalsContact CG2-NH2 3.31Å
141	N	89.2	Confident	88.9	Confident	31 Å²	31	62.7 Å²	62.7	17%	0.166	33%	0.325	C	S	.	.	H	α-helix	trans	-68.7	-26.2	-178.8	-68.9	-20.1	0	0	0	113.2	Y137 E138 Q143 F166 Y167	Y137-N141 VanDerWaalsContact O-CG 3.23Å; Y137-N141 PolarHBondContact O-N 2.89Å; Y137-N141 PolarHBondContact O-ND2 3.33Å; E138-N141 PolarHBondContact O-N 3.28Å; N141-Q143 VanDerWaalsContact C-N 3.33Å; N141-F166 PolarHBondContact ND2-O 2.77Å; N141-F166 PolarHBondContact OD1-O 2.85Å; N141-Y167 HydrophobicContact CB-CD1 4.46Å; N141-Y167 HydrophobicContact CB-CE1 4.28Å
142	I	90.3	Very high	88.2	Confident	147 Å²	147	66.1 Å²	66.1	75%	0.754	35%	0.349	S	S	*	.	H	α-helix	trans	-74.3	-23.8	177	-63.3	160.3	0	0	0	112	E138 V140	E138-I142 WeakPolarHBondContact O-CG1 3.15Å; E138-I142 PolarHBondContact O-N 2.85Å; E138-I142 VanDerWaalsContact O-N 3.13Å; V140-I142 VanDerWaalsContact C-N 3.28Å; V140-I142 PolarHBondContact O-N 3.48Å
143	Q	87.5	Confident	87.6	Confident	80 Å²	80	71.6 Å²	71.6	37%	0.374	37%	0.367	S	S	.	.	S	Bend	trans	-63.3	150.7	-179.1	-64	-174.9	14.7	0	0	112	V140 N141 F148 K165	V140-Q143 WeakPolarHBondContact O-CB 3.29Å; V140-Q143 PolarHBondContact O-N 3.42Å; N141-Q143 VanDerWaalsContact C-N 3.33Å; Q143-F148 HydrophobicContact CB-CE2 3.91Å; Q143-F148 HydrophobicContact CB-CZ 4.28Å; Q143-K165 PolarHBondContact O-NZ 3.3Å
144	P	85.2	Confident	87.2	Confident	93 Å²	93	77.2 Å²	77.2	60%	0.604	40%	0.396	S	S	*	.			trans	-58.9	159.8	175.5	25.6	-34.4	0	0	0	111.8	D146 F148 K165	P144-D146 VanDerWaalsContact C-N 3.29Å; P144-D146 PolarHBondContact O-N 3.3Å; P144-F148 WeakPolarHBondContact O-CD2 3.32Å; P144-F148 WeakPolarHBondContact O-CE2 3.3Å; P144-K165 PolarHBondContact O-NZ 3.12Å
145	Q	78.7	Confident	86.9	Confident	96 Å²	96	78.4 Å²	78.4	45%	0.449	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-79.1	-7.2	-176.4	-67.3	-67.6	21.9	0	0	114.3	G147 F148	Q145-G147 PolarHBondContact O-N 3.13Å; Q145-F148 PolarHBondContact O-N 3.36Å
146	D	77	Confident	86.6	Confident	155 Å²	155	75.6 Å²	75.6	83%	0.829	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-62.6	-14	-170.7	-57.9	-33	0	0	0	114.8	P144	P144-D146 VanDerWaalsContact C-N 3.29Å; P144-D146 PolarHBondContact O-N 3.3Å
147	G	77.7	Confident	86.4	Confident	42 Å²	42	74.4 Å²	74.4	43%	0.433	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-116.4	12.4	175.4	0	0	0	0	0	114.9	Q145 L162	Q145-G147 PolarHBondContact O-N 3.13Å; G147-L162 VanDerWaalsContact C-CD2 3.5Å; G147-L162 WeakPolarHBondContact O-CD2 3.36Å
148	F	87.5	Confident	85.9	Confident	18 Å²	18	80.9 Å²	80.9	8%	0.079	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.6	-173.8	-62.8	-89.9	0	0	0	111.6	V140 Q143 P144 Q145 V163 K165 A258	V140-F148 HydrophobicContact CG1-CE1 3.52Å; V140-F148 HydrophobicContact CG1-CZ 3.72Å; Q143-F148 HydrophobicContact CB-CE2 3.91Å; Q143-F148 HydrophobicContact CB-CZ 4.28Å; P144-F148 WeakPolarHBondContact O-CD2 3.32Å; P144-F148 WeakPolarHBondContact O-CE2 3.3Å; Q145-F148 PolarHBondContact O-N 3.36Å; F148-V163 WeakPolarHBondContact CA-O 3.35Å; F148-V163 HydrophobicContact CD1-CG2 3.49Å; F148-V163 VanDerWaalsContact CD1-CG2 3.49Å; F148-V163 HydrophobicContact CE1-CG2 3.58Å; F148-K165 HydrophobicContact CB-CG 4.49Å; F148-K165 HydrophobicContact CD1-CD 4.22Å; F148-K165 HydrophobicContact CD1-CG 3.66Å; F148-K165 HydrophobicContact CE1-CG 4.06Å; F148-K165 HydrophobicContact CG-CD 4.21Å; F148-K165 VanDerWaalsContact CG-CE 3.41Å; F148-K165 HydrophobicContact CG-CG 4.1Å; F148-A258 HydrophobicContact CE1-CB 3.82Å; F148-A258 HydrophobicContact CZ-CB 3.7Å
149	A	87.9	Confident	85.6	Confident	5 Å²	5	81.6 Å²	81.6	4%	0.041	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	149.2	171	0	0	0	0	0	110.4	C151 K155 L162 V163	A149-C151 PolarHBondContact O-SG 3.08Å; A149-K155 HydrophobicContact CB-CD 4.49Å; A149-K155 HydrophobicContact CB-CG 3.78Å; A149-L162 HydrophobicContact CB-CB 3.9Å; A149-V163 PolarHBondContact N-O 2.93Å
150	T	87.3	Confident	85.2	Confident	81 Å²	81	81.4 Å²	81.4	50%	0.497	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.3	168.4	-56.2	0	0	0	0	108.7	S156	T150-S156 PolarHBondContact N-O 3.33Å; T150-S156 PolarHBondContact O-N 2.87Å
151	C	87.2	Confident	84.9	Confident	23 Å²	23	86.9 Å²	86.9	16%	0.155	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	67.1	-167.2	-56.3	0	0	0	0	112.4	A149 C164 L249	A149-C151 PolarHBondContact O-SG 3.08Å; C151-C164 HydrophobicContact CB-CB 3.61Å; C151-C164 WeakPolarHBondContact CB-SG 3.4Å; C151-C164 VanDerWaalsContact SG-CA 3.53Å; C151-C164 WeakPolarHBondContact SG-CB 3.46Å; C151-C164 CovalentContact SG-SG 2.01Å; C151-C164 PolarHBondContact SG-SG 2.86Å; C151-L249 HydrophobicContact CB-CD1 4.32Å
152	D	81.5	Confident	84.9	Confident	140 Å²	140	87 Å²	87	75%	0.749	48%	0.479	S	S	*	.	S	Bend	trans	-89.5	-59.1	177	-63	-31.1	0	0	0	111.8
153	K	82.2	Confident	85	Confident	185 Å²	185	80.2 Å²	80.2	80%	0.804	44%	0.444	S	S	*	.	S	Bend	trans	-128.5	-34.7	178.5	-66.6	-175.1	-179.9	-179.8	0	112.6
154	I	85.9	Confident	85.2	Confident	135 Å²	135	76.7 Å²	76.7	69%	0.692	43%	0.428	S	S	*	.	S	Bend	trans	-130.9	139.5	179.1	-59.9	165.9	0	0	0	105.2	S156	I154-S156 PolarHBondContact O-N 3Å
155	K	86.5	Confident	85.5	Confident	26 Å²	26	73 Å²	73	11%	0.113	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	117.6	174.2	-171.7	-176.1	-177.7	-173.5	0	108.7	A149 D158 D159 L162 L249	A149-K155 HydrophobicContact CB-CD 4.49Å; A149-K155 HydrophobicContact CB-CG 3.78Å; K155-D158 PolarHBondContact O-N 3.36Å; K155-D159 WeakPolarHBondContact CE-O 3.28Å; K155-D159 PolarHBondContact NZ-O 2.63Å; K155-L162 WeakPolarHBondContact CE-O 3.32Å; K155-L162 PolarHBondContact NZ-O 3.21Å; K155-L249 HydrophobicContact CB-CD2 4.42Å
156	S	86.6	Confident	86	Confident	75 Å²	75	68.8 Å²	68.8	52%	0.524	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	122.2	179	-179.2	0	0	0	0	110.4	T150 I154	T150-S156 PolarHBondContact N-O 3.33Å; T150-S156 PolarHBondContact O-N 2.87Å; I154-S156 PolarHBondContact O-N 3Å
157	P	87.4	Confident	86.7	Confident	77 Å²	77	65.2 Å²	65.2	50%	0.5	36%	0.359	S	S	.	.	S	Bend	cis	-64.9	149.7	-8.9	-18.1	32	0	0	0	112.9	D159 L162	P157-D159 PolarHBondContact O-N 2.67Å; P157-L162 HydrophobicContact CB-CD1 4.01Å; P157-L162 HydrophobicContact CG-CD1 3.85Å
158	D	83.8	Confident	87.1	Confident	144 Å²	144	64.9 Å²	64.9	77%	0.77	35%	0.349	S	S	*	.			trans	-81.4	61	174.5	-167.4	23.1	0	0	0	110.8	K155	K155-D158 PolarHBondContact O-N 3.36Å
159	D	86.8	Confident	87.1	Confident	71 Å²	71	70.4 Å²	70.4	38%	0.38	38%	0.375	S	S	.	.			trans	-101.3	139.5	174.8	-165.7	-26.4	0	0	0	109.2	K155 P157 D161 L162	K155-D159 WeakPolarHBondContact CE-O 3.28Å; K155-D159 PolarHBondContact NZ-O 2.63Å; P157-D159 PolarHBondContact O-N 2.67Å; D159-D161 VanDerWaalsContact C-N 3.3Å; D159-D161 PolarHBondContact O-N 2.85Å; D159-D161 PolarHBondContact OD1-N 2.9Å; D159-D161 VanDerWaalsContact OD1-N 3.1Å; D159-L162 HydrophobicContact CB-CB 4.24Å; D159-L162 HydrophobicContact CB-CD1 3.78Å; D159-L162 HydrophobicContact CB-CG 3.86Å
160	V	82.1	Confident	87.2	Confident	83 Å²	83	72.8 Å²	72.8	50%	0.503	39%	0.387	S	S	.	.	S	Bend	trans	-69.7	-28.5	179.9	-65.9	0	0	0	0	112.5	L254 Q256	V160-L254 HydrophobicContact CB-CD1 4.25Å; V160-Q256 WeakPolarHBondContact O-CG 3.43Å; V160-Q256 PolarHBondContact O-NE2 3.38Å
161	D	85.6	Confident	87.3	Confident	118 Å²	118	69 Å²	69	63%	0.631	36%	0.363	S	S	*	.	S	Bend	trans	-81.4	-25.4	-177.8	-70.6	-20.7	0	0	0	112.4	D159	D159-D161 VanDerWaalsContact C-N 3.3Å; D159-D161 PolarHBondContact O-N 2.85Å; D159-D161 PolarHBondContact OD1-N 2.9Å; D159-D161 VanDerWaalsContact OD1-N 3.1Å
162	L	88.9	Confident	87.4	Confident	32 Å²	32	69.5 Å²	69.5	17%	0.168	37%	0.372	C	S	.	.			trans	-79.6	134	178.4	-63.4	177.1	0	0	0	111.3	G147 A149 K155 P157 D159	G147-L162 VanDerWaalsContact C-CD2 3.5Å; G147-L162 WeakPolarHBondContact O-CD2 3.36Å; A149-L162 HydrophobicContact CB-CB 3.9Å; K155-L162 WeakPolarHBondContact CE-O 3.32Å; K155-L162 PolarHBondContact NZ-O 3.21Å; P157-L162 HydrophobicContact CB-CD1 4.01Å; P157-L162 HydrophobicContact CG-CD1 3.85Å; D159-L162 HydrophobicContact CB-CB 4.24Å; D159-L162 HydrophobicContact CB-CD1 3.78Å; D159-L162 HydrophobicContact CB-CG 3.86Å
163	V	91	Very high	87.7	Confident	6 Å²	6	66 Å²	66	4%	0.036	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	154.4	-178.3	-56.6	0	0	0	0	112.2	F148 A149 Q256 Y259	F148-V163 WeakPolarHBondContact CA-O 3.35Å; F148-V163 HydrophobicContact CD1-CG2 3.49Å; F148-V163 VanDerWaalsContact CD1-CG2 3.49Å; F148-V163 HydrophobicContact CE1-CG2 3.58Å; A149-V163 PolarHBondContact N-O 2.93Å; V163-Q256 HydrophobicContact CG1-CB 3.29Å; V163-Q256 HydrophobicContact CG1-CG 3.91Å; V163-Y259 HydrophobicContact CG1-CD2 4.04Å
164	C	91.6	Very high	88.2	Confident	6 Å²	6	57.2 Å²	57.2	4%	0.041	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	140.2	174.7	-59.1	0	0	0	0	111.1	C151 L249 Y250	C151-C164 HydrophobicContact CB-CB 3.61Å; C151-C164 WeakPolarHBondContact CB-SG 3.4Å; C151-C164 VanDerWaalsContact SG-CA 3.53Å; C151-C164 WeakPolarHBondContact SG-CB 3.46Å; C151-C164 CovalentContact SG-SG 2.01Å; C151-C164 PolarHBondContact SG-SG 2.86Å; C164-L249 PolarHBondContact SG-O 2.99Å; C164-L249 VanDerWaalsContact SG-O 3.37Å; C164-Y250 HydrophobicContact CB-CD1 3.68Å; C164-Y250 HydrophobicContact CB-CE1 3.48Å; C164-Y250 VanDerWaalsContact CB-CE1 3.48Å; C164-Y250 HydrophobicContact CB-CE2 4.5Å; C164-Y250 HydrophobicContact CB-CG 4.24Å
165	K	91.4	Very high	88.4	Confident	14 Å²	14	52.9 Å²	52.9	6%	0.061	30%	0.297	C	S	.	.			trans	-80.2	141.6	168.6	-73.3	177.9	174.2	163.5	0	110.2	V140 Q143 P144 F148 Y167 Y250	V140-K165 WeakPolarHBondContact O-CE 3.49Å; Q143-K165 PolarHBondContact O-NZ 3.3Å; P144-K165 PolarHBondContact O-NZ 3.12Å; F148-K165 HydrophobicContact CB-CG 4.49Å; F148-K165 HydrophobicContact CD1-CD 4.22Å; F148-K165 HydrophobicContact CD1-CG 3.66Å; F148-K165 HydrophobicContact CE1-CG 4.06Å; F148-K165 HydrophobicContact CG-CD 4.21Å; F148-K165 VanDerWaalsContact CG-CE 3.41Å; F148-K165 HydrophobicContact CG-CG 4.1Å; K165-Y167 HydrophobicContact CB-CE2 4.02Å; K165-Y250 PolarHBondContact O-OH 3.48Å
166	F	91.1	Very high	88.7	Confident	9 Å²	9	53.7 Å²	53.7	4%	0.039	30%	0.301	C	S	.	.			trans	-112.6	124.8	173.4	179.6	-89.4	0	0	0	108.4	Y137 N141 D170 M171 Y250 L263	Y137-F166 HydrophobicContact CD1-CB 4.11Å; Y137-F166 HydrophobicContact CD1-CD1 4.02Å; Y137-F166 HydrophobicContact CD1-CG 4.46Å; Y137-F166 HydrophobicContact CE1-CB 4.34Å; Y137-F166 HydrophobicContact CE1-CD1 4.32Å; N141-F166 PolarHBondContact ND2-O 2.77Å; N141-F166 PolarHBondContact OD1-O 2.85Å; F166-D170 HydrophobicContact CE2-CB 4.05Å; F166-D170 HydrophobicContact CZ-CB 3.93Å; F166-M171 HydrophobicContact CE1-CG 4.14Å; F166-M171 HydrophobicContact CZ-CG 4.18Å; F166-Y250 HydrophobicContact CB-CE1 3.85Å; F166-Y250 HydrophobicContact CD2-CE1 4.49Å; F166-L263 HydrophobicContact CD1-CB 4.34Å; F166-L263 HydrophobicContact CD1-CD1 4.11Å; F166-L263 HydrophobicContact CD1-CG 4.19Å; F166-L263 HydrophobicContact CE1-CB 3.68Å; F166-L263 HydrophobicContact CE1-CD1 3.86Å; F166-L263 HydrophobicContact CE1-CG 3.98Å; F166-L263 HydrophobicContact CE2-CB 4.34Å; F166-L263 WeakPolarHBondContact CE2-O 3.29Å; F166-L263 HydrophobicContact CZ-CB 3.68Å; F166-L263 HydrophobicContact CZ-CG 4.42Å; F166-L263 WeakPolarHBondContact CZ-O 3.27Å
167	Y	90.6	Very high	88.8	Confident	80 Å²	80	57.7 Å²	57.7	31%	0.314	31%	0.311	S	S	.	.			trans	-102.4	138.5	-172.9	-65.8	-79.7	0	0	0	111.3	N141 K165 H169 D170	N141-Y167 HydrophobicContact CB-CD1 4.46Å; N141-Y167 HydrophobicContact CB-CE1 4.28Å; K165-Y167 HydrophobicContact CB-CE2 4.02Å; Y167-H169 WeakPolarHBondContact CB-CE1 3.48Å; Y167-H169 WeakPolarHBondContact CB-ND1 3.47Å; Y167-H169 AromaticContact CD2-CE1 3.92Å; Y167-H169 AromaticContact CG-CE1 3.69Å; Y167-H169 AromaticContact CG-ND1 3.88Å; Y167-H169 PolarHBondContact O-N 3.02Å; Y167-D170 WeakPolarHBondContact O-CB 3.47Å; Y167-D170 PolarHBondContact O-N 3.04Å; Y167-D170 VanDerWaalsContact O-N 3.1Å
168	P	86.5	Confident	89	Confident	35 Å²	35	55.5 Å²	55.5	23%	0.227	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-58.4	-20.9	178.1	-28.2	35.6	0	0	0	115.3	E138 D170 M171	E138-P168 HydrophobicContact CG-CG 4.11Å; P168-D170 PolarHBondContact O-N 3.01Å; P168-M171 HydrophobicContact CB-CE 3.74Å; P168-M171 WeakPolarHBondContact O-CB 3.44Å; P168-M171 PolarHBondContact O-N 3.4Å
169	H	87.4	Confident	89.4	Confident	134 Å²	134	50 Å²	50	62%	0.62	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-65.8	-25	177.9	71.3	-100.9	0	0	0	113	Y167 M171 G172	Y167-H169 WeakPolarHBondContact CB-CE1 3.48Å; Y167-H169 WeakPolarHBondContact CB-ND1 3.47Å; Y167-H169 AromaticContact CD2-CE1 3.92Å; Y167-H169 AromaticContact CG-CE1 3.69Å; Y167-H169 AromaticContact CG-ND1 3.88Å; Y167-H169 PolarHBondContact O-N 3.02Å; H169-M171 PolarHBondContact O-N 3.17Å; H169-G172 PolarHBondContact O-N 3.37Å
170	D	89	Confident	89.8	Confident	55 Å²	55	46.6 Å²	46.6	29%	0.294	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-67	-15.7	177.4	-64.1	-41.7	0	0	0	112.6	F166 Y167 P168 G172 F233	F166-D170 HydrophobicContact CE2-CB 4.05Å; F166-D170 HydrophobicContact CZ-CB 3.93Å; Y167-D170 WeakPolarHBondContact O-CB 3.47Å; Y167-D170 PolarHBondContact O-N 3.04Å; Y167-D170 VanDerWaalsContact O-N 3.1Å; P168-D170 PolarHBondContact O-N 3.01Å; D170-G172 VanDerWaalsContact C-N 3.25Å; D170-G172 PolarHBondContact O-N 3.41Å; D170-F233 CarbonylContact O-C 3.49Å
171	M	89.5	Confident	90.3	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-82.4	4.4	177.3	-60	-172.7	-71.9	0	0	113.8	L134 F166 P168 H169 V173 C174 I190 F233 L263 A265	L134-M171 HydrophobicContact CD1-CE 3.63Å; L134-M171 HydrophobicContact CD1-SD 4.48Å; L134-M171 HydrophobicContact CD2-CE 3.53Å; L134-M171 HydrophobicContact CD2-SD 3.9Å; L134-M171 HydrophobicContact CG-CE 4.24Å; F166-M171 HydrophobicContact CE1-CG 4.14Å; F166-M171 HydrophobicContact CZ-CG 4.18Å; P168-M171 HydrophobicContact CB-CE 3.74Å; P168-M171 WeakPolarHBondContact O-CB 3.44Å; P168-M171 PolarHBondContact O-N 3.4Å; H169-M171 PolarHBondContact O-N 3.17Å; M171-V173 PolarHBondContact O-N 3.47Å; M171-C174 HydrophobicContact CB-CB 4.38Å; M171-C174 WeakPolarHBondContact O-CB 3.49Å; M171-C174 PolarHBondContact O-N 2.99Å; M171-I190 HydrophobicContact SD-CD1 3.96Å; M171-F233 VanDerWaalsContact O-CB 3.31Å; M171-F233 WeakPolarHBondContact O-CB 3.18Å; M171-F233 WeakPolarHBondContact O-CG 3.34Å; M171-L263 HydrophobicContact SD-CD1 4.43Å; M171-A265 HydrophobicContact CB-CB 3.96Å; M171-A265 HydrophobicContact CG-CB 4.23Å
172	G	89.6	Confident	90.7	Very high	33 Å²	33	37 Å²	37	34%	0.34	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	-118.5	172.7	0	0	0	0	0	113	H169 D170 C174 V175	H169-G172 PolarHBondContact O-N 3.37Å; D170-G172 VanDerWaalsContact C-N 3.25Å; D170-G172 PolarHBondContact O-N 3.41Å; G172-C174 VanDerWaalsContact C-N 3.33Å; G172-V175 VanDerWaalsContact O-CG1 3.26Å; G172-V175 WeakPolarHBondContact O-CG1 3.46Å
173	V	89.3	Confident	90.9	Very high	67 Å²	67	38.1 Å²	38.1	41%	0.406	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-9.6	-177.6	-59.5	0	0	0	0	113.8	M171 V175 N178 F233	M171-V173 PolarHBondContact O-N 3.47Å; V173-V175 PolarHBondContact O-N 2.9Å; V173-N178 PolarHBondContact O-ND2 3.49Å; V173-F233 HydrophobicContact CG2-CE2 3.69Å; V173-F233 HydrophobicContact CG2-CZ 3.73Å
174	C	92	Very high	91	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.			trans	-82.4	62.8	178.8	-59.7	0	0	0	0	110.7	M171 G172 F180 C188 A265	M171-C174 HydrophobicContact CB-CB 4.38Å; M171-C174 WeakPolarHBondContact O-CB 3.49Å; M171-C174 PolarHBondContact O-N 2.99Å; G172-C174 VanDerWaalsContact C-N 3.33Å; C174-F180 WeakPolarHBondContact O-CD1 3.16Å; C174-C188 VanDerWaalsContact CA-SG 3.59Å; C174-C188 HydrophobicContact CB-CB 3.64Å; C174-C188 WeakPolarHBondContact CB-SG 3.4Å; C174-C188 WeakPolarHBondContact SG-CB 3.33Å; C174-C188 CovalentContact SG-SG 2.04Å; C174-C188 PolarHBondContact SG-SG 3.04Å; C174-A265 HydrophobicContact CB-CB 3.75Å
175	V	91	Very high	91	Very high	43 Å²	43	42.9 Å²	42.9	26%	0.261	22%	0.217	S	C	.	.			trans	-105.8	162.7	-177.7	-59.3	0	0	0	0	112.5	G172 V173 E177 N178 F180	G172-V175 VanDerWaalsContact O-CG1 3.26Å; G172-V175 WeakPolarHBondContact O-CG1 3.46Å; V173-V175 PolarHBondContact O-N 2.9Å; V175-E177 VanDerWaalsContact CB-OE2 3.31Å; V175-E177 WeakPolarHBondContact CB-OE2 3.33Å; V175-E177 HydrophobicContact CG2-CB 4.38Å; V175-E177 WeakPolarHBondContact CG2-OE2 3.37Å; V175-E177 PolarHBondContact O-N 3.01Å; V175-N178 HydrophobicContact CG2-CB 3.53Å; V175-N178 PolarHBondContact O-N 3.46Å; V175-F180 PolarHBondContact O-N 3.24Å
176	K	90.8	Very high	91.1	Very high	43 Å²	43	44.9 Å²	44.9	19%	0.187	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-36.6	-176	-73.5	-179	171.3	-169.7	0	112.9	R131 E138 N178 N179 F180	R131-K176 HydrophobicContact CG-CG 4.39Å; R131-K176 PolarHBondContact NH2-O 3.07Å; E138-K176 WeakPolarHBondContact OE1-CE 3.37Å; E138-K176 IonicContact OE1-NZ 2.67Å; E138-K176 PolarHBondContact OE1-NZ 2.94Å; E138-K176 IonicContact OE2-NZ 2.63Å; E138-K176 PolarHBondContact OE2-NZ 3.22Å; K176-N178 PolarHBondContact O-N 3.05Å; K176-N179 PolarHBondContact O-N 3.06Å; K176-F180 HydrophobicContact CB-CZ 4.43Å; K176-F180 HydrophobicContact CG-CE1 4.24Å; K176-F180 HydrophobicContact CG-CZ 3.68Å
177	E	89.7	Confident	91.3	Very high	159 Å²	159	44.4 Å²	44.4	74%	0.743	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-33.3	179.5	-61.5	67.6	-145.3	0	0	110.5	V175 N179	V175-E177 VanDerWaalsContact CB-OE2 3.31Å; V175-E177 WeakPolarHBondContact CB-OE2 3.33Å; V175-E177 HydrophobicContact CG2-CB 4.38Å; V175-E177 WeakPolarHBondContact CG2-OE2 3.37Å; V175-E177 PolarHBondContact O-N 3.01Å; E177-N179 VanDerWaalsContact C-N 3.31Å
178	N	90.9	Very high	91.5	Very high	31 Å²	31	40.6 Å²	40.6	17%	0.166	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.5	9.8	-177.3	-167.7	48.8	0	0	0	113	V173 V175 K176 F180 G181 R184	V173-N178 PolarHBondContact O-ND2 3.49Å; V175-N178 HydrophobicContact CG2-CB 3.53Å; V175-N178 PolarHBondContact O-N 3.46Å; K176-N178 PolarHBondContact O-N 3.05Å; N178-F180 PolarHBondContact O-N 3.47Å; N178-G181 PolarHBondContact O-N 3.21Å; N178-R184 PolarHBondContact ND2-NH2 2.88Å; N178-R184 PolarHBondContact OD1-NH1 3.13Å; N178-R184 PolarHBondContact OD1-NH2 2.98Å
179	N	93.5	Very high	91.9	Very high	28 Å²	28	39 Å²	39	15%	0.15	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	46.4	34.1	-172	-63.1	-48.3	0	0	0	113.1	V127 R131 K176 E177 G181 Y182	V127-N179 HydrophobicContact CG1-CB 4.35Å; V127-N179 HydrophobicContact CG2-CB 4.16Å; R131-N179 PolarHBondContact NH2-OD1 3.22Å; K176-N179 PolarHBondContact O-N 3.06Å; E177-N179 VanDerWaalsContact C-N 3.31Å; N179-G181 PolarHBondContact O-N 2.93Å; N179-G181 VanDerWaalsContact O-N 3.11Å; N179-Y182 WeakPolarHBondContact O-CD2 3.49Å; N179-Y182 PolarHBondContact O-N 2.83Å
180	F	94.5	Very high	92.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	52.4	29.1	-175.5	-47.7	-77	0	0	0	114.7	V127 I130 R131 L134 C174 V175 K176 N178 Y182 C188	V127-F180 HydrophobicContact CG1-CD2 4.02Å; V127-F180 HydrophobicContact CG1-CE2 4.08Å; I130-F180 HydrophobicContact CB-CD2 3.91Å; I130-F180 HydrophobicContact CB-CE2 3.64Å; I130-F180 HydrophobicContact CB-CZ 4.05Å; I130-F180 HydrophobicContact CD1-CB 4.13Å; I130-F180 HydrophobicContact CD1-CD2 3.83Å; I130-F180 HydrophobicContact CD1-CE2 4.45Å; I130-F180 HydrophobicContact CD1-CG 3.97Å; I130-F180 HydrophobicContact CG1-CD2 4.49Å; I130-F180 HydrophobicContact CG2-CD1 3.89Å; I130-F180 HydrophobicContact CG2-CD2 3.8Å; I130-F180 HydrophobicContact CG2-CE1 3.57Å; I130-F180 HydrophobicContact CG2-CE2 3.44Å; I130-F180 VanDerWaalsContact CG2-CE2 3.44Å; I130-F180 HydrophobicContact CG2-CG 4.01Å; I130-F180 HydrophobicContact CG2-CZ 3.33Å; R131-F180 HydrophobicContact CG-CE2 3.93Å; R131-F180 HydrophobicContact CG-CZ 4.26Å; L134-F180 HydrophobicContact CD1-CE1 3.46Å; L134-F180 VanDerWaalsContact CD1-CE1 3.46Å; L134-F180 HydrophobicContact CD1-CZ 3.58Å; C174-F180 WeakPolarHBondContact O-CD1 3.16Å; V175-F180 PolarHBondContact O-N 3.24Å; K176-F180 HydrophobicContact CB-CZ 4.43Å; K176-F180 HydrophobicContact CG-CE1 4.24Å; K176-F180 HydrophobicContact CG-CZ 3.68Å; N178-F180 PolarHBondContact O-N 3.47Å; F180-Y182 VanDerWaalsContact C-N 3.26Å; F180-Y182 HydrophobicContact CB-CD2 3.93Å; F180-Y182 HydrophobicContact CB-CE2 4.03Å; F180-Y182 PolarHBondContact O-N 2.94Å; F180-C188 HydrophobicContact CB-CB 4.07Å; F180-C188 VanDerWaalsContact O-CB 3.29Å; F180-C188 WeakPolarHBondContact O-CB 3.37Å; F180-C188 PolarHBondContact O-N 3.37Å; F180-C188 PolarHBondContact O-SG 3.25Å
181	G	92.8	Very high	92.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	76.1	1.9	177.9	0	0	0	0	0	115.9	N178 N179 D183 R184 Q186	N178-G181 PolarHBondContact O-N 3.21Å; N179-G181 PolarHBondContact O-N 2.93Å; N179-G181 VanDerWaalsContact O-N 3.11Å; G181-D183 VanDerWaalsContact C-N 3.25Å; G181-D183 PolarHBondContact O-N 3.26Å; G181-R184 PolarHBondContact O-N 3.23Å; G181-Q186 CarbonylContact C-O 3.5Å; G181-Q186 VanDerWaalsContact C-O 3.25Å; G181-Q186 VanDerWaalsContact CA-O 3.28Å; G181-Q186 WeakPolarHBondContact CA-O 3.5Å; G181-Q186 CarbonylContact O-C 3.57Å; G181-Q186 VanDerWaalsContact O-C 3.24Å; G181-Q186 WeakPolarHBondContact O-CA 3.49Å; G181-Q186 PolarHBondContact O-N 2.73Å; G181-Q186 VanDerWaalsContact O-O 3.12Å
182	Y	94.6	Very high	92.9	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-62.7	-33.7	178.1	-77.1	-98.5	0	0	0	112.1	P104 I113 Y115 F126 V127 I130 N179 F180 R184 S185 P187 C188	P104-Y182 WeakPolarHBondContact CD-OH 3.01Å; P104-Y182 WeakPolarHBondContact CG-OH 3Å; I113-Y182 HydrophobicContact CG2-CE1 3.87Å; Y115-Y182 AromaticContact CD1-CD1 3.83Å; Y115-Y182 HydrophobicContact CD1-CD1 3.83Å; Y115-Y182 HydrophobicContact CD1-CE1 4.08Å; Y115-Y182 HydrophobicContact CD2-CD1 4.39Å; Y115-Y182 AromaticContact CE1-CD1 3.46Å; Y115-Y182 HydrophobicContact CE1-CD1 3.46Å; Y115-Y182 VanDerWaalsContact CE1-CD1 3.46Å; Y115-Y182 AromaticContact CE1-CE1 3.75Å; Y115-Y182 HydrophobicContact CE1-CE1 3.75Å; Y115-Y182 HydrophobicContact CE2-CD1 4.09Å; Y115-Y182 WeakPolarHBondContact CE2-O 3.43Å; Y115-Y182 HydrophobicContact CG-CD1 4.27Å; Y115-Y182 AromaticContact CZ-CD1 3.59Å; F126-Y182 HydrophobicContact CB-CD1 4.4Å; F126-Y182 HydrophobicContact CB-CE1 3.87Å; F126-Y182 HydrophobicContact CD2-CE1 4.44Å; F126-Y182 HydrophobicContact CG-CE1 4.28Å; V127-Y182 HydrophobicContact CG2-CD2 4.03Å; V127-Y182 HydrophobicContact CG2-CG 4.1Å; I130-Y182 HydrophobicContact CD1-CE2 3.71Å; N179-Y182 WeakPolarHBondContact O-CD2 3.49Å; N179-Y182 PolarHBondContact O-N 2.83Å; F180-Y182 VanDerWaalsContact C-N 3.26Å; F180-Y182 HydrophobicContact CB-CD2 3.93Å; F180-Y182 HydrophobicContact CB-CE2 4.03Å; F180-Y182 PolarHBondContact O-N 2.94Å; Y182-R184 PolarHBondContact O-N 2.96Å; Y182-S185 PolarHBondContact O-N 2.96Å; Y182-P187 HydrophobicContact CD1-CB 4.2Å; Y182-P187 HydrophobicContact CE1-CB 3.88Å; Y182-P187 HydrophobicContact CE2-CB 4.35Å; Y182-C188 WeakPolarHBondContact CE2-O 3.03Å; Y182-C188 PolarHBondContact OH-O 3.13Å; Y182-C188 VanDerWaalsContact OH-O 3.05Å
183	D	92.4	Very high	93.1	Very high	55 Å²	55	30.7 Å²	30.7	29%	0.294	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-62.4	-27.5	176.9	65.2	-19.7	0	0	0	113.9	G181	G181-D183 VanDerWaalsContact C-N 3.25Å; G181-D183 PolarHBondContact O-N 3.26Å
184	R	92.2	Very high	93.2	Very high	106 Å²	106	31.1 Å²	31.1	40%	0.4	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-104.4	14.5	-177.8	-72.5	-170.7	-53.5	-76.7	20.3	114.3	N178 G181 Y182 Q186	N178-R184 PolarHBondContact ND2-NH2 2.88Å; N178-R184 PolarHBondContact OD1-NH1 3.13Å; N178-R184 PolarHBondContact OD1-NH2 2.98Å; G181-R184 PolarHBondContact O-N 3.23Å; Y182-R184 PolarHBondContact O-N 2.96Å; R184-Q186 HydrophobicContact CB-CG 4.47Å; R184-Q186 PolarHBondContact O-N 3.34Å
185	S	92.3	Very high	93.2	Very high	6 Å²	6	35 Å²	35	4%	0.042	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.1	24.3	-173.6	-33.6	0	0	0	0	112.7	S117 Y182 P187 P271 R273	S117-S185 WeakPolarHBondContact CB-OG 3.4Å; S117-S185 PolarHBondContact OG-OG 3.46Å; Y182-S185 PolarHBondContact O-N 2.96Å; S185-P187 VanDerWaalsContact C-CD 3.48Å; S185-P187 WeakPolarHBondContact O-CD 3.36Å; S185-P271 WeakPolarHBondContact O-CG 3.05Å; S185-R273 PolarHBondContact OG-NH2 2.84Å
186	Q	94	Very high	93.1	Very high	56 Å²	56	33.5 Å²	33.5	26%	0.262	16%	0.157	S	C	.	.			trans	-120.2	67.2	-179.7	-66.5	-179.7	-12.8	0	0	109.8	G181 R184 C188 F268 A269	G181-Q186 CarbonylContact C-O 3.5Å; G181-Q186 VanDerWaalsContact C-O 3.25Å; G181-Q186 VanDerWaalsContact CA-O 3.28Å; G181-Q186 WeakPolarHBondContact CA-O 3.5Å; G181-Q186 CarbonylContact O-C 3.57Å; G181-Q186 VanDerWaalsContact O-C 3.24Å; G181-Q186 WeakPolarHBondContact O-CA 3.49Å; G181-Q186 PolarHBondContact O-N 2.73Å; G181-Q186 VanDerWaalsContact O-O 3.12Å; R184-Q186 HydrophobicContact CB-CG 4.47Å; R184-Q186 PolarHBondContact O-N 3.34Å; Q186-C188 PolarHBondContact O-N 3.44Å; Q186-F268 CarbonylContact C-O 3.52Å; Q186-F268 WeakPolarHBondContact CA-O 3.32Å; Q186-F268 WeakPolarHBondContact CB-O 3.38Å; Q186-A269 WeakPolarHBondContact CG-O 3.4Å; Q186-A269 PolarHBondContact NE2-O 2.82Å
187	P	94.5	Very high	93.1	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.157	C	C	.	.			trans	-63.3	134.7	-170.1	25.9	-30.9	0	0	0	110.5	Y115 Y182 S185 F268 I297 V299	Y115-P187 HydrophobicContact CE1-CB 3.95Å; Y115-P187 HydrophobicContact CE1-CG 4.23Å; Y115-P187 WeakPolarHBondContact OH-CB 3.36Å; Y115-P187 VanDerWaalsContact OH-CD 3.27Å; Y115-P187 WeakPolarHBondContact OH-CD 3.36Å; Y182-P187 HydrophobicContact CD1-CB 4.2Å; Y182-P187 HydrophobicContact CE1-CB 3.88Å; Y182-P187 HydrophobicContact CE2-CB 4.35Å; S185-P187 VanDerWaalsContact C-CD 3.48Å; S185-P187 WeakPolarHBondContact O-CD 3.36Å; P187-F268 HydrophobicContact CG-CB 4.29Å; P187-F268 HydrophobicContact CG-CD2 4.29Å; P187-F268 WeakPolarHBondContact O-CD2 3.26Å; P187-F268 PolarHBondContact O-N 3.41Å; P187-F268 VanDerWaalsContact O-N 3.09Å; P187-I297 HydrophobicContact CG-CG2 4.25Å; P187-V299 HydrophobicContact CG-CG2 4.25Å
188	C	95.3	Very high	93.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.5	164.6	-63.2	0	0	0	0	110.5	C174 F180 Y182 Q186 V266	C174-C188 VanDerWaalsContact CA-SG 3.59Å; C174-C188 HydrophobicContact CB-CB 3.64Å; C174-C188 WeakPolarHBondContact CB-SG 3.4Å; C174-C188 WeakPolarHBondContact SG-CB 3.33Å; C174-C188 CovalentContact SG-SG 2.04Å; C174-C188 PolarHBondContact SG-SG 3.04Å; F180-C188 HydrophobicContact CB-CB 4.07Å; F180-C188 VanDerWaalsContact O-CB 3.29Å; F180-C188 WeakPolarHBondContact O-CB 3.37Å; F180-C188 PolarHBondContact O-N 3.37Å; F180-C188 PolarHBondContact O-SG 3.25Å; Y182-C188 WeakPolarHBondContact CE2-O 3.03Å; Y182-C188 PolarHBondContact OH-O 3.13Å; Y182-C188 VanDerWaalsContact OH-O 3.05Å; Q186-C188 PolarHBondContact O-N 3.44Å; C188-V266 CarbonylContact C-O 3.25Å; C188-V266 WeakPolarHBondContact CA-O 3.23Å
189	V	95.5	Very high	93.1	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.5	171.1	178	0	0	0	0	107.9	M102 R103 I113 M191 V266 F268 F295	M102-V189 HydrophobicContact CB-CG1 3.99Å; M102-V189 HydrophobicContact CE-CG1 4.22Å; R103-V189 CarbonylContact O-C 3.56Å; R103-V189 WeakPolarHBondContact O-CA 3.41Å; R103-V189 WeakPolarHBondContact O-CG1 3.41Å; I113-V189 HydrophobicContact CD1-CG2 3.76Å; V189-M191 HydrophobicContact CG1-SD 3.98Å; V189-V266 PolarHBondContact N-O 3.02Å; V189-V266 PolarHBondContact O-N 3.38Å; V189-F268 HydrophobicContact CB-CE2 4.34Å; V189-F268 HydrophobicContact CG2-CE2 3.9Å; V189-F295 HydrophobicContact CB-CZ 4.25Å; V189-F295 HydrophobicContact CG1-CE1 4.42Å; V189-F295 HydrophobicContact CG1-CE2 4.38Å; V189-F295 HydrophobicContact CG1-CZ 3.97Å; V189-F295 HydrophobicContact CG2-CE2 3.85Å; V189-F295 HydrophobicContact CG2-CZ 3.98Å
190	I	95.8	Very high	93	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	118.8	177.7	-55	-174.1	0	0	0	108.6	M102 R103 I130 F133 L134 M171 L263	M102-I190 CarbonylContact C-O 3.46Å; M102-I190 WeakPolarHBondContact CA-O 3.42Å; R103-I190 HydrophobicContact CB-CB 4.31Å; R103-I190 PolarHBondContact N-O 3.14Å; R103-I190 PolarHBondContact O-N 3.31Å; I130-I190 HydrophobicContact CG2-CD1 3.44Å; I130-I190 VanDerWaalsContact CG2-CD1 3.44Å; I130-I190 HydrophobicContact CG2-CG1 4.29Å; F133-I190 HydrophobicContact CE1-CG2 4.16Å; L134-I190 HydrophobicContact CD1-CD1 4.16Å; L134-I190 HydrophobicContact CD2-CD1 4.01Å; L134-I190 HydrophobicContact CG-CD1 4.14Å; M171-I190 HydrophobicContact SD-CD1 3.96Å; I190-L263 HydrophobicContact CG2-CB 3.97Å; I190-L263 HydrophobicContact CG2-CD1 4.08Å; I190-L263 HydrophobicContact CG2-CD2 3.92Å; I190-L263 HydrophobicContact CG2-CG 4.22Å
191	M	95.5	Very high	92.8	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	141	174.6	-60.6	-57.2	-66.5	0	0	110.3	L100 G101 M102 V189 F246 V264 V266 C281 M293	L100-M191 HydrophobicContact CB-CE 3.96Å; L100-M191 HydrophobicContact CD1-CE 4.13Å; L100-M191 HydrophobicContact CD2-CE 4.41Å; L100-M191 HydrophobicContact CG-CE 4.41Å; G101-M191 WeakPolarHBondContact O-CA 3.46Å; M102-M191 HydrophobicContact CB-SD 3.88Å; V189-M191 HydrophobicContact CG1-SD 3.98Å; M191-F246 HydrophobicContact CB-CZ 4.27Å; M191-V264 HydrophobicContact CB-CB 4.47Å; M191-V264 PolarHBondContact N-O 3.43Å; M191-V264 PolarHBondContact O-N 3.09Å; M191-V266 HydrophobicContact CB-CG2 4.4Å; M191-V266 HydrophobicContact CG-CB 4.47Å; M191-V266 HydrophobicContact CG-CG2 3.53Å; M191-C281 HydrophobicContact CE-CB 3.7Å; M191-M293 HydrophobicContact CE-CB 4.1Å; M191-M293 HydrophobicContact CE-CG 4.23Å
192	K	94.4	Very high	92.7	Very high	50 Å²	50	35.9 Å²	35.9	22%	0.217	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	141.2	-179.3	170	176.6	167.8	-173.2	0	109.6	G101 F133 S261 L263	G101-K192 PolarHBondContact N-O 2.89Å; G101-K192 PolarHBondContact O-N 3Å; F133-K192 HydrophobicContact CZ-CD 4.07Å; K192-S261 WeakPolarHBondContact CE-OG 3.21Å; K192-L263 HydrophobicContact CB-CD2 3.96Å; K192-L263 HydrophobicContact CD-CD2 4.36Å; K192-L263 HydrophobicContact CG-CD2 4.31Å
193	I	93.7	Very high	92.6	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	134.3	168.1	-64.2	-176.9	0	0	0	109.9	P98 L100 W199 P212 F246 F251 L283	P98-I193 HydrophobicContact CB-CG2 3.58Å; P98-I193 HydrophobicContact CG-CG2 3.95Å; L100-I193 HydrophobicContact CD2-CG1 4.07Å; I193-W199 HydrophobicContact CG2-CZ3 4.37Å; I193-P212 HydrophobicContact CD1-CB 4.28Å; I193-F246 HydrophobicContact CD1-CB 3.86Å; I193-F246 HydrophobicContact CD1-CD1 4.23Å; I193-F246 HydrophobicContact CD1-CD2 3.3Å; I193-F246 HydrophobicContact CD1-CE2 3.79Å; I193-F246 HydrophobicContact CD1-CG 3.53Å; I193-F246 HydrophobicContact CD1-CZ 4.44Å; I193-F246 HydrophobicContact CG1-CD1 4.13Å; I193-F246 HydrophobicContact CG1-CD2 3.65Å; I193-F246 HydrophobicContact CG1-CE1 4.11Å; I193-F246 HydrophobicContact CG1-CE2 3.59Å; I193-F246 HydrophobicContact CG1-CG 3.9Å; I193-F246 HydrophobicContact CG1-CZ 3.84Å; I193-F251 HydrophobicContact CB-CZ 4.26Å; I193-F251 HydrophobicContact CD1-CZ 4.08Å; I193-F251 HydrophobicContact CG2-CE1 4.32Å; I193-F251 HydrophobicContact CG2-CZ 4.25Å; I193-L283 HydrophobicContact CD1-CD1 4.44Å; I193-L283 HydrophobicContact CD1-CD2 3.96Å; I193-L283 HydrophobicContact CG1-CD2 4.21Å
194	N	91.3	Very high	92.5	Very high	77 Å²	77	37.9 Å²	37.9	41%	0.412	20%	0.195	S	C	.	.			trans	-62.7	145.4	176	-74.6	-18.8	0	0	0	111.7	G99 V196	G99-N194 WeakPolarHBondContact O-CB 3.46Å; G99-N194 PolarHBondContact O-N 3.48Å; N194-V196 PolarHBondContact O-N 3.15Å; N194-V196 VanDerWaalsContact O-N 3.15Å
195	K	91.8	Very high	92.3	Very high	80 Å²	80	36.1 Å²	36.1	35%	0.348	19%	0.193	S	C	.	.			trans	-78.3	100.9	-178.5	-67.6	-174.5	179.1	-172.6	0	110	Y253 Y259 S261	K195-Y253 HydrophobicContact CB-CD1 3.73Å; K195-Y253 HydrophobicContact CB-CE1 3.88Å; K195-Y253 HydrophobicContact CB-CG 4.2Å; K195-Y253 HydrophobicContact CD-CD1 4.41Å; K195-Y253 HydrophobicContact CD-CD2 4.24Å; K195-Y253 HydrophobicContact CD-CE1 4.13Å; K195-Y253 HydrophobicContact CD-CE2 3.98Å; K195-Y253 HydrophobicContact CD-CG 4.42Å; K195-Y253 HydrophobicContact CG-CD1 4.43Å; K195-Y253 HydrophobicContact CG-CG 4.47Å; K195-Y259 HydrophobicContact CD-CD1 4.21Å; K195-Y259 HydrophobicContact CD-CE1 4.17Å; K195-Y259 HydrophobicContact CG-CE1 4.22Å; K195-Y259 PolarHBondContact NZ-O 3.32Å; K195-S261 WeakPolarHBondContact CG-OG 3.3Å
196	V	90.5	Very high	92.1	Very high	12 Å²	12	42.7 Å²	42.7	7%	0.073	22%	0.221	C	C	.	.			trans	-101.5	124.8	171.6	-177.4	0	0	0	0	108.6	L94 P98 N194 G198 W199	L94-V196 HydrophobicContact CD1-CG2 4.06Å; P98-V196 HydrophobicContact CB-CG2 3.81Å; N194-V196 PolarHBondContact O-N 3.15Å; N194-V196 VanDerWaalsContact O-N 3.15Å; V196-G198 PolarHBondContact O-N 2.94Å; V196-W199 HydrophobicContact CB-CB 3.71Å; V196-W199 HydrophobicContact CB-CG 4.37Å; V196-W199 HydrophobicContact CG1-CB 3.83Å; V196-W199 PolarHBondContact O-N 3.01Å
197	Y	90.6	Very high	91.7	Very high	50 Å²	50	46.3 Å²	46.3	20%	0.196	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-63.9	127.8	-176.8	-173.7	-87	0	0	0	111	Q84 P85 T88 W199 Y253 L254 M255	Q84-Y197 HydrophobicContact CB-CE1 4.11Å; Q84-Y197 HydrophobicContact CB-CE2 4.21Å; Q84-Y197 WeakPolarHBondContact CB-OH 3.09Å; P85-Y197 HydrophobicContact CG-CD1 4.16Å; P85-Y197 HydrophobicContact CG-CD2 4.43Å; P85-Y197 HydrophobicContact CG-CG 3.9Å; T88-Y197 HydrophobicContact CG2-CD1 3.66Å; T88-Y197 HydrophobicContact CG2-CE1 4.15Å; Y197-W199 PolarHBondContact O-N 3.49Å; Y197-Y253 WeakPolarHBondContact CA-O 3.41Å; Y197-L254 HydrophobicContact CE1-CD2 4.13Å; Y197-L254 HydrophobicContact CE2-CB 4.44Å; Y197-L254 HydrophobicContact CE2-CD2 4.4Å; Y197-M255 HydrophobicContact CD2-CE 3.97Å; Y197-M255 HydrophobicContact CD2-CG 4.36Å; Y197-M255 HydrophobicContact CE2-CE 3.83Å; Y197-M255 HydrophobicContact CE2-CG 4.43Å
198	G	88.9	Confident	91.2	Very high	36 Å²	36	48.4 Å²	48.4	37%	0.371	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.9	6.1	179	0	0	0	0	0	115.2	V196 L200 Y253	V196-G198 PolarHBondContact O-N 2.94Å; G198-L200 PolarHBondContact O-N 2.69Å; G198-Y253 PolarHBondContact N-O 2.87Å
199	W	91	Very high	90.9	Very high	10 Å²	10	48.9 Å²	48.9	4%	0.038	26%	0.261	C	S	.	.			trans	-72.4	130.6	178.2	-179.4	78.5	0	0	0	111.3	L96 P98 I193 V196 Y197 P201 P212 F251 P252 V286	L96-W199 HydrophobicContact CD2-CB 4.07Å; L96-W199 HydrophobicContact CD2-CG 4.4Å; L96-W199 PolarHBondContact O-NE1 3.1Å; P98-W199 HydrophobicContact CG-CD2 3.85Å; P98-W199 VanDerWaalsContact CG-CE2 3.5Å; P98-W199 HydrophobicContact CG-CE3 4.12Å; P98-W199 HydrophobicContact CG-CH2 3.71Å; P98-W199 HydrophobicContact CG-CZ2 3.43Å; P98-W199 VanDerWaalsContact CG-CZ2 3.43Å; P98-W199 HydrophobicContact CG-CZ3 4.05Å; I193-W199 HydrophobicContact CG2-CZ3 4.37Å; V196-W199 HydrophobicContact CB-CB 3.71Å; V196-W199 HydrophobicContact CB-CG 4.37Å; V196-W199 HydrophobicContact CG1-CB 3.83Å; V196-W199 PolarHBondContact O-N 3.01Å; Y197-W199 PolarHBondContact O-N 3.49Å; W199-P201 HydrophobicContact CH2-CB 3.66Å; W199-P201 HydrophobicContact CH2-CG 4.48Å; W199-P201 HydrophobicContact CZ2-CB 3.99Å; W199-P201 HydrophobicContact CZ3-CB 4.2Å; W199-P212 HydrophobicContact CH2-CG 4.18Å; W199-F251 AromaticContact CE3-CD1 3.69Å; W199-F251 HydrophobicContact CE3-CD1 3.69Å; W199-F251 AromaticContact CE3-CE1 3.84Å; W199-F251 HydrophobicContact CE3-CE1 3.84Å; W199-F251 HydrophobicContact CE3-CG 4.23Å; W199-F251 HydrophobicContact CE3-CZ 4.5Å; W199-F251 AromaticContact CZ3-CD1 3.76Å; W199-F251 HydrophobicContact CZ3-CD1 3.76Å; W199-F251 HydrophobicContact CZ3-CD2 4.27Å; W199-F251 AromaticContact CZ3-CE1 3.61Å; W199-F251 HydrophobicContact CZ3-CE1 3.61Å; W199-F251 HydrophobicContact CZ3-CE2 4.15Å; W199-F251 HydrophobicContact CZ3-CG 4.09Å; W199-F251 AromaticContact CZ3-CZ 3.82Å; W199-F251 HydrophobicContact CZ3-CZ 3.82Å; W199-P252 WeakPolarHBondContact O-CA 3.33Å; W199-V286 HydrophobicContact CZ2-CG1 3.9Å
200	L	91	Very high	90.6	Very high	108 Å²	108	53.2 Å²	53.2	57%	0.565	29%	0.285	S	S	*	.			trans	-122.5	135.4	171.8	-168.4	72.2	0	0	0	107.9	G198 D202 F251	G198-L200 PolarHBondContact O-N 2.69Å; L200-D202 PolarHBondContact O-N 2.95Å; L200-D202 VanDerWaalsContact O-N 3.12Å; L200-F251 HydrophobicContact CD1-CB 4.23Å
201	P	90	Very high	90.5	Very high	14 Å²	14	54.4 Å²	54.4	9%	0.091	29%	0.291	C	S	.	.			trans	-65.2	115.6	-178.2	26.1	-34.5	0	0	0	111.4	W199 I203 P212 H248 F251	W199-P201 HydrophobicContact CH2-CB 3.66Å; W199-P201 HydrophobicContact CH2-CG 4.48Å; W199-P201 HydrophobicContact CZ2-CB 3.99Å; W199-P201 HydrophobicContact CZ3-CB 4.2Å; P201-I203 HydrophobicContact CB-CD1 4.01Å; P201-I203 PolarHBondContact O-N 2.74Å; P201-P212 HydrophobicContact CB-CG 3.35Å; P201-P212 HydrophobicContact CG-CG 3.95Å; P201-H248 HydrophobicContact CG-CB 4Å; P201-F251 HydrophobicContact CG-CD2 4.48Å
202	D	90.6	Very high	90.4	Very high	94 Å²	94	54.4 Å²	54.4	50%	0.503	29%	0.291	S	S	.	.			trans	-83.6	99.2	170.4	-173.5	17	0	0	0	109.7	L200 V204 V286 H287	L200-D202 PolarHBondContact O-N 2.95Å; L200-D202 VanDerWaalsContact O-N 3.12Å; D202-V204 PolarHBondContact O-N 3.32Å; D202-V286 WeakPolarHBondContact O-CA 3.13Å; D202-H287 HydrophobicContact CB-CB 4.16Å; D202-H287 VanDerWaalsContact CG-CD2 3.47Å; D202-H287 PolarHBondContact O-N 2.97Å; D202-H287 IonicContact OD1-CD2 3.75Å; D202-H287 IonicContact OD2-CD2 3.21Å; D202-H287 PolarHBondContact OD2-CD2 3.19Å; D202-H287 IonicContact OD2-CG 3.62Å
203	I	92.4	Very high	90.5	Very high	16 Å²	16	52 Å²	52	8%	0.082	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-79	116.9	-172	-60.1	-59	0	0	0	110.7	P201 K206 S209 P212 N285	P201-I203 HydrophobicContact CB-CD1 4.01Å; P201-I203 PolarHBondContact O-N 2.74Å; I203-K206 HydrophobicContact CB-CG 4.13Å; I203-K206 HydrophobicContact CG2-CB 4.48Å; I203-K206 HydrophobicContact CG2-CG 3.8Å; I203-S209 WeakPolarHBondContact CG2-O 3.33Å; I203-P212 HydrophobicContact CD1-CG 4.3Å; I203-N285 WeakPolarHBondContact CA-O 3.24Å
204	V	90.8	Very high	90.5	Very high	81 Å²	81	52 Å²	52	49%	0.491	28%	0.281	S	S	.	.	S	Bend	trans	-64.4	-53.4	179.4	-177	0	0	0	0	110.9	D202 N285	D202-V204 PolarHBondContact O-N 3.32Å; V204-N285 PolarHBondContact N-O 3.3Å
205	N	89.6	Confident	90.7	Very high	68 Å²	68	51.3 Å²	51.3	36%	0.364	27%	0.272	S	S	.	.			trans	-119.2	91.6	-177	-168.4	-5.6	0	0	0	110.8	T207 L208 S209 N285	N205-T207 PolarHBondContact O-N 3.33Å; N205-T207 PolarHBondContact OD1-N 3.13Å; N205-T207 VanDerWaalsContact OD1-N 3.1Å; N205-T207 PolarHBondContact OD1-OG1 2.84Å; N205-L208 HydrophobicContact CB-CB 3.93Å; N205-L208 WeakPolarHBondContact O-CB 3.21Å; N205-L208 PolarHBondContact O-N 3.18Å; N205-L208 VanDerWaalsContact O-N 3.14Å; N205-L208 PolarHBondContact OD1-N 3.31Å; N205-S209 PolarHBondContact O-N 3.02Å; N205-N285 WeakPolarHBondContact CA-OD1 3.06Å; N205-N285 WeakPolarHBondContact CB-OD1 3.32Å; N205-N285 PolarHBondContact N-OD1 3.26Å; N205-N285 PolarHBondContact O-ND2 3.03Å; N205-N285 PolarHBondContact O-OD1 2.84Å
206	K	87.5	Confident	90.8	Very high	145 Å²	145	47.9 Å²	47.9	63%	0.63	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-21	177.1	-63.9	-178.2	-178.3	179	0	113.1	I203 L208 N210	I203-K206 HydrophobicContact CB-CG 4.13Å; I203-K206 HydrophobicContact CG2-CB 4.48Å; I203-K206 HydrophobicContact CG2-CG 3.8Å; K206-L208 VanDerWaalsContact C-N 3.32Å; K206-N210 PolarHBondContact O-OD1 3.26Å
207	T	85.5	Confident	90.9	Very high	132 Å²	132	49.5 Å²	49.5	81%	0.81	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-25.8	175.3	74.3	0	0	0	0	111.8	N205	N205-T207 PolarHBondContact O-N 3.33Å; N205-T207 PolarHBondContact OD1-N 3.13Å; N205-T207 VanDerWaalsContact OD1-N 3.1Å; N205-T207 PolarHBondContact OD1-OG1 2.84Å
208	L	84.3	Confident	90.9	Very high	44 Å²	44	47.4 Å²	47.4	23%	0.23	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-56.5	176.5	172.7	62.8	0	0	0	110.6	N205 K206 L213 V238 N285	N205-L208 HydrophobicContact CB-CB 3.93Å; N205-L208 WeakPolarHBondContact O-CB 3.21Å; N205-L208 PolarHBondContact O-N 3.18Å; N205-L208 VanDerWaalsContact O-N 3.14Å; N205-L208 PolarHBondContact OD1-N 3.31Å; K206-L208 VanDerWaalsContact C-N 3.32Å; L208-L213 HydrophobicContact CD2-CD1 3.85Å; L208-L213 HydrophobicContact CG-CD1 4.09Å; L208-V238 HydrophobicContact CD1-CB 3.39Å; L208-V238 HydrophobicContact CD1-CG1 3.24Å; L208-V238 HydrophobicContact CD1-CG2 3.62Å; L208-N285 HydrophobicContact CD2-CB 4.27Å
209	S	87.5	Confident	91	Very high	9 Å²	9	49.9 Å²	49.9	6%	0.063	26%	0.26	C	S	.	.			trans	-164	145.1	-179.9	178	0	0	0	0	109.4	I203 N205 N211 N285	I203-S209 WeakPolarHBondContact CG2-O 3.33Å; N205-S209 PolarHBondContact O-N 3.02Å; S209-N211 PolarHBondContact O-N 3.39Å; S209-N211 WeakPolarHBondContact OG-CB 3.39Å; S209-N211 PolarHBondContact OG-N 2.88Å; S209-N211 PolarHBondContact OG-O 3.2Å; S209-N285 PolarHBondContact O-ND2 2.97Å
210	N	89.8	Confident	91.1	Very high	92 Å²	92	52.3 Å²	52.3	49%	0.492	27%	0.273	S	S	.	.	S	Bend	trans	-81.4	3.1	170.1	-68.6	-23.4	0	0	0	112.8	K206	K206-N210 PolarHBondContact O-OD1 3.26Å
211	N	93.4	Very high	90.8	Very high	25 Å²	25	51.9 Å²	51.9	13%	0.134	28%	0.277	C	S	.	.	S	Bend	trans	-116.6	145.3	-175.1	-64	-48.9	0	0	0	110.6	S209 L213 F245 F246 S247 H248 N285	S209-N211 PolarHBondContact O-N 3.39Å; S209-N211 WeakPolarHBondContact OG-CB 3.39Å; S209-N211 PolarHBondContact OG-N 2.88Å; S209-N211 PolarHBondContact OG-O 3.2Å; N211-L213 PolarHBondContact O-N 3.44Å; N211-F245 HydrophobicContact CB-CB 4.02Å; N211-F245 HydrophobicContact CB-CD2 3.95Å; N211-F245 HydrophobicContact CB-CG 4.37Å; N211-F245 WeakPolarHBondContact ND2-CD2 3.41Å; N211-F246 WeakPolarHBondContact CB-O 3.39Å; N211-S247 WeakPolarHBondContact OD1-CA 3.49Å; N211-H248 PolarHBondContact OD1-N 3.45Å; N211-H248 PolarHBondContact OD1-ND1 3.31Å; N211-N285 PolarHBondContact O-ND2 3Å
212	P	94.3	Very high	90.6	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.301	C	S	.	.			trans	-52.2	133.7	160.7	-28.6	37.6	0	0	0	111	I193 W199 P201 I203 F245 F246 V286	I193-P212 HydrophobicContact CD1-CB 4.28Å; W199-P212 HydrophobicContact CH2-CG 4.18Å; P201-P212 HydrophobicContact CB-CG 3.35Å; P201-P212 HydrophobicContact CG-CG 3.95Å; I203-P212 HydrophobicContact CD1-CG 4.3Å; P212-F245 WeakPolarHBondContact O-CA 3.01Å; P212-F246 HydrophobicContact CB-CB 4.47Å; P212-F246 WeakPolarHBondContact CD-O 3.27Å; P212-F246 PolarHBondContact O-N 3.37Å; P212-V286 HydrophobicContact CB-CG2 3.6Å; P212-V286 HydrophobicContact CG-CG2 3.79Å
213	L	95.1	Very high	90.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	153.8	178.7	-58.1	-176.1	0	0	0	109.7	L208 N211 I236 Y243 G244 F245 L283 F284 N285	L208-L213 HydrophobicContact CD2-CD1 3.85Å; L208-L213 HydrophobicContact CG-CD1 4.09Å; N211-L213 PolarHBondContact O-N 3.44Å; L213-I236 HydrophobicContact CD2-CG2 3.59Å; L213-Y243 HydrophobicContact CB-CD1 4.21Å; L213-Y243 HydrophobicContact CB-CG 4.41Å; L213-Y243 HydrophobicContact CD1-CD1 4.35Å; L213-Y243 HydrophobicContact CD1-CD2 4.43Å; L213-Y243 HydrophobicContact CD1-CG 4.12Å; L213-G244 CarbonylContact C-O 3.49Å; L213-G244 VanDerWaalsContact CA-O 3.28Å; L213-G244 WeakPolarHBondContact CA-O 3.46Å; L213-F245 HydrophobicContact CD2-CB 3.68Å; L213-L283 CarbonylContact O-C 3.57Å; L213-L283 WeakPolarHBondContact O-CA 3.46Å; L213-F284 HydrophobicContact CB-CB 3.84Å; L213-F284 PolarHBondContact N-O 3.22Å; L213-F284 PolarHBondContact O-N 3.18Å; L213-N285 HydrophobicContact CB-CB 4.4Å; L213-N285 HydrophobicContact CD1-CB 4.01Å; L213-N285 HydrophobicContact CG-CB 3.96Å
214	V	95.4	Very high	89.9	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	139.6	172.1	61.5	0	0	0	0	109.6	L100 G244 F246 V264 E282 L283	L100-V214 HydrophobicContact CD1-CG2 3.92Å; L100-V214 HydrophobicContact CD2-CG2 4.47Å; V214-G244 PolarHBondContact N-O 2.98Å; V214-G244 PolarHBondContact O-N 2.67Å; V214-F246 HydrophobicContact CB-CE2 3.85Å; V214-F246 HydrophobicContact CG1-CD2 4.46Å; V214-F246 HydrophobicContact CG1-CE2 3.77Å; V214-F246 HydrophobicContact CG1-CZ 4.29Å; V214-V264 HydrophobicContact CG1-CB 4.16Å; V214-V264 HydrophobicContact CG1-CG1 3.79Å; V214-V264 HydrophobicContact CG1-CG2 4.17Å; V214-E282 WeakPolarHBondContact CA-O 3.46Å; V214-L283 HydrophobicContact CB-CD2 4.42Å
215	R	94.3	Very high	89.5	Confident	62 Å²	62	61.8 Å²	61.8	23%	0.234	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	137.3	175	-172.2	-173.3	67.5	-174.2	4	109.9	Y243 C281 E282 F284	R215-Y243 HydrophobicContact CB-CD1 3.84Å; R215-Y243 HydrophobicContact CB-CE1 4.04Å; R215-Y243 HydrophobicContact CG-CD1 4.39Å; R215-Y243 HydrophobicContact CG-CE1 4.38Å; R215-C281 WeakPolarHBondContact O-CA 3.31Å; R215-E282 PolarHBondContact N-O 3.22Å; R215-E282 VanDerWaalsContact N-O 3.14Å; R215-E282 IonicContact NH2-OE1 3.26Å; R215-E282 PolarHBondContact NH2-OE1 3.34Å; R215-E282 PolarHBondContact O-N 3.3Å; R215-F284 HydrophobicContact CB-CD2 3.76Å; R215-F284 HydrophobicContact CB-CE2 3.72Å; R215-F284 VanDerWaalsContact CZ-CZ 3.49Å
216	C	94.2	Very high	89.4	Confident	7 Å²	7	59.9 Å²	59.9	5%	0.047	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	140.9	175.1	-56	0	0	0	0	110	F227 Y232 V266 V279 R280 C281	C216-F227 HydrophobicContact CB-CZ 4.21Å; C216-Y232 PolarHBondContact N-OH 3.35Å; C216-Y232 PolarHBondContact O-OH 3.21Å; C216-V266 HydrophobicContact CB-CG1 4.34Å; C216-V279 HydrophobicContact CB-CG1 4.13Å; C216-R280 CarbonylContact C-O 3.57Å; C216-R280 VanDerWaalsContact CA-O 3.29Å; C216-R280 WeakPolarHBondContact CA-O 3.33Å; C216-C281 HydrophobicContact CB-CB 4.13Å; C216-C281 WeakPolarHBondContact CB-SG 3.46Å; C216-C281 WeakPolarHBondContact SG-CB 3.35Å; C216-C281 CovalentContact SG-SG 2.03Å; C216-C281 PolarHBondContact SG-SG 3.39Å
217	H	92.2	Very high	89.2	Confident	47 Å²	47	53.4 Å²	53.4	22%	0.218	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	164.6	176.6	59.6	-76.3	0	0	0	110.1	L224 F227 R280 E282	H217-L224 HydrophobicContact CB-CD1 4.27Å; H217-F227 VanDerWaalsContact C-CE2 3.49Å; H217-F227 VanDerWaalsContact CA-CZ 3.48Å; H217-R280 PolarHBondContact N-O 2.98Å; H217-R280 PolarHBondContact ND1-O 2.93Å; H217-R280 PolarHBondContact O-N 3.19Å; H217-E282 IonicContact CE1-OE1 3.03Å; H217-E282 PolarHBondContact CE1-OE1 2.77Å; H217-E282 IonicContact CE1-OE2 3.99Å; H217-E282 IonicContact ND1-OE1 3.44Å; H217-E282 PolarHBondContact ND1-OE1 3.45Å
218	G	92	Very high	89.1	Confident	5 Å²	5	49.2 Å²	49.2	5%	0.052	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	135.4	172.3	0	0	0	0	0	110.9	M278	G218-M278 CarbonylContact C-O 3.58Å; G218-M278 WeakPolarHBondContact CA-O 3.27Å
219	Q	91.2	Very high	89.4	Confident	88 Å²	88	53 Å²	53	41%	0.411	28%	0.278	S	S	.	.	S	Bend	trans	-67.8	-38.5	-179.3	-176.9	174.7	-11.5	0	0	111.8	M278 R280	Q219-M278 HydrophobicContact CB-CB 3.78Å; Q219-M278 PolarHBondContact N-O 2.86Å; Q219-R280 HydrophobicContact CB-CB 4.46Å
220	N	91.1	Very high	89.7	Confident	61 Å²	61	53.6 Å²	53.6	33%	0.326	28%	0.281	S	S	.	.	S	Bend	trans	-105.1	156.7	176.8	-53.5	-62.8	0	0	0	111.6	Q222 D223 L224	N220-Q222 VanDerWaalsContact C-N 3.26Å; N220-Q222 PolarHBondContact O-N 3.31Å; N220-D223 HydrophobicContact CB-CB 4.5Å; N220-D223 WeakPolarHBondContact CB-OD2 3.39Å; N220-D223 PolarHBondContact ND2-OD2 2.93Å; N220-D223 WeakPolarHBondContact O-CB 3.21Å; N220-D223 PolarHBondContact O-N 3.46Å; N220-L224 PolarHBondContact O-N 2.91Å
221	P	86.5	Confident	90	Very high	99 Å²	99	51.5 Å²	51.5	64%	0.643	27%	0.269	S	S	*	.	H	α-helix	trans	-56.8	-37	176.4	-25.5	34.7	0	0	0	113.8	D223 L224	P221-D223 VanDerWaalsContact C-N 3.32Å; P221-L224 WeakPolarHBondContact O-CB 3.43Å; P221-L224 PolarHBondContact O-N 3.41Å
222	Q	84.1	Confident	90.1	Very high	125 Å²	125	50.6 Å²	50.6	58%	0.584	26%	0.264	S	S	*	.	H	α-helix	trans	-66.6	-36.9	176.3	-59.5	86.7	-14.7	0	0	111.6	N220 L224 E225 N226	N220-Q222 VanDerWaalsContact C-N 3.26Å; N220-Q222 PolarHBondContact O-N 3.31Å; Q222-L224 VanDerWaalsContact C-N 3.31Å; Q222-E225 PolarHBondContact O-N 3.33Å; Q222-N226 VanDerWaalsContact O-CG 3.29Å; Q222-N226 PolarHBondContact O-N 2.9Å; Q222-N226 PolarHBondContact O-ND2 3.39Å
223	D	86.6	Confident	90.2	Very high	14 Å²	14	52.2 Å²	52.2	8%	0.075	27%	0.271	C	S	.	.	H	α-helix	trans	-69.6	-34.5	178.1	-61.9	-38.2	0	0	0	110.7	N220 P221 E225 N226 F227	N220-D223 HydrophobicContact CB-CB 4.5Å; N220-D223 WeakPolarHBondContact CB-OD2 3.39Å; N220-D223 PolarHBondContact ND2-OD2 2.93Å; N220-D223 WeakPolarHBondContact O-CB 3.21Å; N220-D223 PolarHBondContact O-N 3.46Å; P221-D223 VanDerWaalsContact C-N 3.32Å; D223-E225 VanDerWaalsContact C-N 3.29Å; D223-E225 PolarHBondContact O-N 2.98Å; D223-N226 CarbonylContact O-C 3.58Å; D223-N226 PolarHBondContact O-N 3.49Å; D223-N226 VanDerWaalsContact O-N 3.1Å; D223-F227 WeakPolarHBondContact O-CA 3.36Å; D223-F227 VanDerWaalsContact O-CB 3.28Å; D223-F227 WeakPolarHBondContact O-CB 3.36Å; D223-F227 PolarHBondContact O-N 2.93Å
224	L	83.3	Confident	90.2	Very high	103 Å²	103	53.9 Å²	53.9	54%	0.539	28%	0.282	S	S	.	.	H	α-helix	trans	-59	-39.1	177.6	-167.6	67.9	0	0	0	112.4	H217 N220 P221 Q222	H217-L224 HydrophobicContact CB-CD1 4.27Å; N220-L224 PolarHBondContact O-N 2.91Å; P221-L224 WeakPolarHBondContact O-CB 3.43Å; P221-L224 PolarHBondContact O-N 3.41Å; Q222-L224 VanDerWaalsContact C-N 3.31Å
225	E	82.6	Confident	90.1	Very high	171 Å²	171	57.5 Å²	57.5	80%	0.799	30%	0.301	S	S	*	.	H	α-helix	trans	-72.8	-33.1	175.5	-66.5	179.5	-172.9	0	0	112.5	Q222 D223	Q222-E225 PolarHBondContact O-N 3.33Å; D223-E225 VanDerWaalsContact C-N 3.29Å; D223-E225 PolarHBondContact O-N 2.98Å
226	N	86	Confident	90.1	Very high	29 Å²	29	56.7 Å²	56.7	16%	0.155	30%	0.301	C	S	.	.	H	α-helix	trans	-86.5	-8.6	-178.9	-61.9	-39.2	0	0	0	113.5	Q222 D223 G228 K272 L277	Q222-N226 VanDerWaalsContact O-CG 3.29Å; Q222-N226 PolarHBondContact O-N 2.9Å; Q222-N226 PolarHBondContact O-ND2 3.39Å; D223-N226 CarbonylContact O-C 3.58Å; D223-N226 PolarHBondContact O-N 3.49Å; D223-N226 VanDerWaalsContact O-N 3.1Å; N226-G228 VanDerWaalsContact C-N 3.34Å; N226-G228 PolarHBondContact O-N 3.3Å; N226-K272 HydrophobicContact CB-CB 3.92Å; N226-K272 HydrophobicContact CB-CD 3.87Å; N226-K272 VanDerWaalsContact CG-CD 3.47Å; N226-K272 WeakPolarHBondContact O-CB 3.32Å; N226-K272 PolarHBondContact O-N 3.38Å; N226-K272 WeakPolarHBondContact OD1-CD 3.49Å; N226-K272 PolarHBondContact OD1-NZ 3.36Å; N226-L277 HydrophobicContact CB-CD2 3.48Å; N226-L277 VanDerWaalsContact CB-CD2 3.48Å
227	F	83	Confident	90	Very high	9 Å²	9	60.8 Å²	60.8	4%	0.039	33%	0.326	C	S	.	.	S	Bend	trans	-69	-29.8	-171.6	-153.6	-116.2	0	0	0	113.5	C216 H217 D223 V230 F268 V279	C216-F227 HydrophobicContact CB-CZ 4.21Å; H217-F227 VanDerWaalsContact C-CE2 3.49Å; H217-F227 VanDerWaalsContact CA-CZ 3.48Å; D223-F227 WeakPolarHBondContact O-CA 3.36Å; D223-F227 VanDerWaalsContact O-CB 3.28Å; D223-F227 WeakPolarHBondContact O-CB 3.36Å; D223-F227 PolarHBondContact O-N 2.93Å; F227-V230 HydrophobicContact CD1-CG2 3.49Å; F227-V230 VanDerWaalsContact CD1-CG2 3.49Å; F227-V230 HydrophobicContact CE1-CB 4.3Å; F227-V230 HydrophobicContact CE1-CG2 3.24Å; F227-V230 HydrophobicContact CZ-CG2 4.15Å; F227-F268 HydrophobicContact CE1-CE1 4.03Å; F227-F268 AromaticContact CE2-CE1 3.86Å; F227-F268 HydrophobicContact CE2-CE1 3.86Å; F227-F268 HydrophobicContact CZ-CD1 4.32Å; F227-F268 AromaticContact CZ-CE1 3.51Å; F227-F268 HydrophobicContact CZ-CE1 3.51Å; F227-F268 HydrophobicContact CZ-CZ 4.44Å; F227-V279 HydrophobicContact CE2-CB 4.06Å; F227-V279 HydrophobicContact CE2-CG1 3.72Å; F227-V279 HydrophobicContact CE2-CG2 3.69Å; F227-V279 HydrophobicContact CZ-CG1 3.7Å; F227-V279 HydrophobicContact CZ-CG2 4.45Å
228	G	85	Confident	89.7	Confident	43 Å²	43	60.1 Å²	60.1	44%	0.443	33%	0.326	S	S	.	.			trans	65.8	-161.2	-176.3	0	0	0	0	0	113.8	N226 S270	N226-G228 VanDerWaalsContact C-N 3.34Å; N226-G228 PolarHBondContact O-N 3.3Å; G228-S270 WeakPolarHBondContact CA-O 3.44Å
229	E	90.9	Very high	89.4	Confident	124 Å²	124	67.1 Å²	67.1	58%	0.579	36%	0.362	S	S	*	.			trans	-79.9	133	176.6	-175.7	176.1	-166.9	0	0	111.2	L231 A269	E229-L231 HydrophobicContact CG-CD2 4.15Å; E229-A269 HydrophobicContact CB-CB 4.38Å; E229-A269 WeakPolarHBondContact O-CB 3.29Å; E229-A269 PolarHBondContact O-N 2.96Å
230	V	93	Very high	89.1	Confident	21 Å²	21	66.9 Å²	66.9	13%	0.127	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.4	176.4	179.2	0	0	0	0	110.4	F227 Y232 V266 Q267 F268	F227-V230 HydrophobicContact CD1-CG2 3.49Å; F227-V230 VanDerWaalsContact CD1-CG2 3.49Å; F227-V230 HydrophobicContact CE1-CB 4.3Å; F227-V230 HydrophobicContact CE1-CG2 3.24Å; F227-V230 HydrophobicContact CZ-CG2 4.15Å; V230-Y232 HydrophobicContact CB-CE2 4.47Å; V230-Y232 HydrophobicContact CG1-CE1 4.28Å; V230-Y232 HydrophobicContact CG1-CE2 3.93Å; V230-V266 HydrophobicContact CG1-CG1 3.42Å; V230-V266 VanDerWaalsContact CG1-CG1 3.42Å; V230-Q267 WeakPolarHBondContact CA-O 3.43Å; V230-F268 HydrophobicContact CG2-CD1 3.63Å; V230-F268 HydrophobicContact CG2-CE1 3.87Å
231	L	95.2	Very high	89.1	Confident	48 Å²	48	69.4 Å²	69.4	25%	0.251	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	143.9	179.4	-56.5	177.2	0	0	0	109.8	E229 F233 V266 Q267 A269	E229-L231 HydrophobicContact CG-CD2 4.15Å; L231-F233 HydrophobicContact CB-CE2 3.78Å; L231-F233 HydrophobicContact CB-CZ 3.86Å; L231-F233 HydrophobicContact CD1-CZ 4.23Å; L231-V266 CarbonylContact O-C 3.5Å; L231-V266 WeakPolarHBondContact O-CA 3.5Å; L231-Q267 HydrophobicContact CB-CB 4.34Å; L231-Q267 PolarHBondContact N-O 3.41Å; L231-Q267 PolarHBondContact O-N 3.47Å; L231-A269 HydrophobicContact CD1-CB 4.1Å; L231-A269 HydrophobicContact CG-CB 4.25Å
232	Y	96.2	Very high	89.4	Confident	6 Å²	6	67.2 Å²	67.2	2%	0.024	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.5	178.3	-57.1	-94.8	0	0	0	109.7	C216 V230 N235 T242 G244 V264 A265 V266	C216-Y232 PolarHBondContact N-OH 3.35Å; C216-Y232 PolarHBondContact O-OH 3.21Å; V230-Y232 HydrophobicContact CB-CE2 4.47Å; V230-Y232 HydrophobicContact CG1-CE1 4.28Å; V230-Y232 HydrophobicContact CG1-CE2 3.93Å; Y232-N235 VanDerWaalsContact O-CB 3.23Å; Y232-N235 WeakPolarHBondContact O-CB 3.45Å; Y232-N235 PolarHBondContact O-ND2 3.3Å; Y232-N235 VanDerWaalsContact O-ND2 3.12Å; Y232-T242 HydrophobicContact CD2-CG2 3.99Å; Y232-G244 VanDerWaalsContact CB-CA 3.49Å; Y232-G244 VanDerWaalsContact CG-N 3.28Å; Y232-V264 HydrophobicContact CD1-CG1 4.37Å; Y232-A265 CarbonylContact C-O 3.58Å; Y232-A265 WeakPolarHBondContact CA-O 3.44Å; Y232-V266 HydrophobicContact CD1-CG1 4.31Å; Y232-V266 HydrophobicContact CD1-CG2 3.8Å; Y232-V266 HydrophobicContact CE1-CG1 3.99Å; Y232-V266 HydrophobicContact CE1-CG2 3.93Å
233	F	95.9	Very high	89.9	Confident	35 Å²	35	62.5 Å²	62.5	15%	0.154	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	116.3	176.8	-53.9	-79.5	0	0	0	110.2	D170 M171 V173 L231 V264 A265 Q267	D170-F233 CarbonylContact O-C 3.49Å; M171-F233 VanDerWaalsContact O-CB 3.31Å; M171-F233 WeakPolarHBondContact O-CB 3.18Å; M171-F233 WeakPolarHBondContact O-CG 3.34Å; V173-F233 HydrophobicContact CG2-CE2 3.69Å; V173-F233 HydrophobicContact CG2-CZ 3.73Å; L231-F233 HydrophobicContact CB-CE2 3.78Å; L231-F233 HydrophobicContact CB-CZ 3.86Å; L231-F233 HydrophobicContact CD1-CZ 4.23Å; F233-V264 CarbonylContact O-C 3.58Å; F233-V264 WeakPolarHBondContact O-CA 3.39Å; F233-A265 HydrophobicContact CB-CB 4.31Å; F233-A265 PolarHBondContact N-O 2.9Å; F233-A265 PolarHBondContact O-N 3.38Å; F233-Q267 HydrophobicContact CE2-CB 4.1Å
234	P	95.1	Very high	90.4	Very high	34 Å²	34	61.8 Å²	61.8	22%	0.221	35%	0.349	C	S	.	.	S	Bend	cis	-69.4	153.1	-7.4	33.4	-38.1	0	0	0	111.6	G244 F245	P234-G244 WeakPolarHBondContact O-CA 3.48Å; P234-F245 HydrophobicContact CB-CD1 4.23Å; P234-F245 HydrophobicContact CB-CE1 3.54Å; P234-F245 HydrophobicContact CB-CZ 3.71Å; P234-F245 HydrophobicContact CG-CD1 4.24Å; P234-F245 HydrophobicContact CG-CE1 3.87Å; P234-F245 HydrophobicContact CG-CE2 4.15Å; P234-F245 HydrophobicContact CG-CZ 3.81Å; P234-F245 PolarHBondContact O-N 3.49Å
235	N	94.5	Very high	90.9	Very high	76 Å²	76	59.2 Å²	59.2	41%	0.406	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	160.8	179	59.4	40.6	0	0	0	113.8	Y232 T242 Y243 F245	Y232-N235 VanDerWaalsContact O-CB 3.23Å; Y232-N235 WeakPolarHBondContact O-CB 3.45Å; Y232-N235 PolarHBondContact O-ND2 3.3Å; Y232-N235 VanDerWaalsContact O-ND2 3.12Å; N235-T242 HydrophobicContact CB-CG2 3.91Å; N235-Y243 CarbonylContact C-O 3.5Å; N235-Y243 VanDerWaalsContact CA-O 3.23Å; N235-Y243 WeakPolarHBondContact CA-O 3.38Å; N235-F245 WeakPolarHBondContact O-CE1 3.27Å
236	I	93.4	Very high	91.5	Very high	45 Å²	45	51.1 Å²	51.1	23%	0.231	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	133.5	166.3	-171.7	174.9	0	0	0	108.4	L213 V238 Y243 F245	L213-I236 HydrophobicContact CD2-CG2 3.59Å; I236-V238 HydrophobicContact CD1-CG2 4.05Å; I236-V238 HydrophobicContact CG1-CG2 3.89Å; I236-Y243 PolarHBondContact N-O 3.02Å; I236-Y243 PolarHBondContact O-N 2.91Å; I236-F245 HydrophobicContact CB-CD1 4.12Å; I236-F245 HydrophobicContact CG2-CB 4.27Å; I236-F245 HydrophobicContact CG2-CD1 4.22Å
237	T	91.9	Very high	91.8	Very high	94 Å²	94	50.9 Å²	50.9	58%	0.577	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.9	119.3	177	47.6	0	0	0	0	109.4	K241 T242	T237-K241 WeakPolarHBondContact CA-O 3.46Å; T237-T242 HydrophobicContact CG2-CG2 3.88Å; T237-T242 WeakPolarHBondContact CG2-OG1 3.38Å
238	V	86.6	Confident	92.3	Very high	33 Å²	33	53.7 Å²	53.7	20%	0.2	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	135.9	176.5	-166.1	0	0	0	0	110.2	L208 I236 G240 K241	L208-V238 HydrophobicContact CD1-CB 3.39Å; L208-V238 HydrophobicContact CD1-CG1 3.24Å; L208-V238 HydrophobicContact CD1-CG2 3.62Å; I236-V238 HydrophobicContact CD1-CG2 4.05Å; I236-V238 HydrophobicContact CG1-CG2 3.89Å; V238-G240 PolarHBondContact O-N 2.85Å; V238-K241 PolarHBondContact N-O 2.82Å; V238-K241 PolarHBondContact O-N 3.37Å; V238-K241 VanDerWaalsContact O-O 3.12Å
239	D	84.9	Confident	92.6	Very high	151 Å²	151	52.6 Å²	52.6	81%	0.807	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	38.3	-176.8	-57.7	-30.5	0	0	0	113.6	K241	D239-K241 PolarHBondContact O-N 3.49Å
240	G	86	Confident	92.7	Very high	83 Å²	83	47.8 Å²	47.8	86%	0.856	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	6.3	-178.6	0	0	0	0	0	114.8	V238	V238-G240 PolarHBondContact O-N 2.85Å
241	K	90.2	Very high	92.7	Very high	114 Å²	114	47.6 Å²	47.6	50%	0.496	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133	176.5	-67.6	177.6	-176.2	173.4	0	110.5	T237 V238 D239 Y243	T237-K241 WeakPolarHBondContact CA-O 3.46Å; V238-K241 PolarHBondContact N-O 2.82Å; V238-K241 PolarHBondContact O-N 3.37Å; V238-K241 VanDerWaalsContact O-O 3.12Å; D239-K241 PolarHBondContact O-N 3.49Å; K241-Y243 HydrophobicContact CB-CD2 4.36Å; K241-Y243 HydrophobicContact CB-CE2 3.52Å; K241-Y243 WeakPolarHBondContact O-CD2 3.32Å
242	T	93	Very high	92.5	Very high	54 Å²	54	47 Å²	47	33%	0.331	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	132	176.6	-46.2	0	0	0	0	109.9	Y232 N235 T237	Y232-T242 HydrophobicContact CD2-CG2 3.99Å; N235-T242 HydrophobicContact CB-CG2 3.91Å; T237-T242 HydrophobicContact CG2-CG2 3.88Å; T237-T242 WeakPolarHBondContact CG2-OG1 3.38Å
243	Y	95.2	Very high	92.3	Very high	25 Å²	25	49 Å²	49	10%	0.098	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	150.2	175.6	-62.5	-93.3	0	0	0	109.3	L213 R215 N235 I236 K241 F284	L213-Y243 HydrophobicContact CB-CD1 4.21Å; L213-Y243 HydrophobicContact CB-CG 4.41Å; L213-Y243 HydrophobicContact CD1-CD1 4.35Å; L213-Y243 HydrophobicContact CD1-CD2 4.43Å; L213-Y243 HydrophobicContact CD1-CG 4.12Å; R215-Y243 HydrophobicContact CB-CD1 3.84Å; R215-Y243 HydrophobicContact CB-CE1 4.04Å; R215-Y243 HydrophobicContact CG-CD1 4.39Å; R215-Y243 HydrophobicContact CG-CE1 4.38Å; N235-Y243 CarbonylContact C-O 3.5Å; N235-Y243 VanDerWaalsContact CA-O 3.23Å; N235-Y243 WeakPolarHBondContact CA-O 3.38Å; I236-Y243 PolarHBondContact N-O 3.02Å; I236-Y243 PolarHBondContact O-N 2.91Å; K241-Y243 HydrophobicContact CB-CD2 4.36Å; K241-Y243 HydrophobicContact CB-CE2 3.52Å; K241-Y243 WeakPolarHBondContact O-CD2 3.32Å; Y243-F284 HydrophobicContact CD1-CD2 4.46Å; Y243-F284 HydrophobicContact CE1-CD2 4.16Å; Y243-F284 HydrophobicContact CE1-CG 4.28Å
244	G	95.9	Very high	92.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	153.9	157.8	0	0	0	0	0	109.8	L213 V214 Y232 P234	L213-G244 CarbonylContact C-O 3.49Å; L213-G244 VanDerWaalsContact CA-O 3.28Å; L213-G244 WeakPolarHBondContact CA-O 3.46Å; V214-G244 PolarHBondContact N-O 2.98Å; V214-G244 PolarHBondContact O-N 2.67Å; Y232-G244 VanDerWaalsContact CB-CA 3.49Å; Y232-G244 VanDerWaalsContact CG-N 3.28Å; P234-G244 WeakPolarHBondContact O-CA 3.48Å
245	F	95.2	Very high	91.8	Very high	48 Å²	48	51.8 Å²	51.8	21%	0.211	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.3	174	75.3	-92.9	0	0	0	112.3	N211 P212 L213 P234 N235 I236 V264	N211-F245 HydrophobicContact CB-CB 4.02Å; N211-F245 HydrophobicContact CB-CD2 3.95Å; N211-F245 HydrophobicContact CB-CG 4.37Å; N211-F245 WeakPolarHBondContact ND2-CD2 3.41Å; P212-F245 WeakPolarHBondContact O-CA 3.01Å; L213-F245 HydrophobicContact CD2-CB 3.68Å; P234-F245 HydrophobicContact CB-CD1 4.23Å; P234-F245 HydrophobicContact CB-CE1 3.54Å; P234-F245 HydrophobicContact CB-CZ 3.71Å; P234-F245 HydrophobicContact CG-CD1 4.24Å; P234-F245 HydrophobicContact CG-CE1 3.87Å; P234-F245 HydrophobicContact CG-CE2 4.15Å; P234-F245 HydrophobicContact CG-CZ 3.81Å; P234-F245 PolarHBondContact O-N 3.49Å; N235-F245 WeakPolarHBondContact O-CE1 3.27Å; I236-F245 HydrophobicContact CB-CD1 4.12Å; I236-F245 HydrophobicContact CG2-CB 4.27Å; I236-F245 HydrophobicContact CG2-CD1 4.22Å; F245-V264 WeakPolarHBondContact O-CG2 3.26Å
246	F	94.8	Very high	91.6	Very high	1 Å²	1	49.1 Å²	49.1	0%	0.004	27%	0.273	C	S	.	.			trans	-101.2	119.5	170.4	-63.4	-81	0	0	0	108.4	L100 M191 I193 N211 P212 V214 H248 F251 P262 V264 L283	L100-F246 HydrophobicContact CD2-CE2 4.07Å; L100-F246 HydrophobicContact CD2-CZ 4.17Å; M191-F246 HydrophobicContact CB-CZ 4.27Å; I193-F246 HydrophobicContact CD1-CB 3.86Å; I193-F246 HydrophobicContact CD1-CD1 4.23Å; I193-F246 HydrophobicContact CD1-CD2 3.3Å; I193-F246 HydrophobicContact CD1-CE2 3.79Å; I193-F246 HydrophobicContact CD1-CG 3.53Å; I193-F246 HydrophobicContact CD1-CZ 4.44Å; I193-F246 HydrophobicContact CG1-CD1 4.13Å; I193-F246 HydrophobicContact CG1-CD2 3.65Å; I193-F246 HydrophobicContact CG1-CE1 4.11Å; I193-F246 HydrophobicContact CG1-CE2 3.59Å; I193-F246 HydrophobicContact CG1-CG 3.9Å; I193-F246 HydrophobicContact CG1-CZ 3.84Å; N211-F246 WeakPolarHBondContact CB-O 3.39Å; P212-F246 HydrophobicContact CB-CB 4.47Å; P212-F246 WeakPolarHBondContact CD-O 3.27Å; P212-F246 PolarHBondContact O-N 3.37Å; V214-F246 HydrophobicContact CB-CE2 3.85Å; V214-F246 HydrophobicContact CG1-CD2 4.46Å; V214-F246 HydrophobicContact CG1-CE2 3.77Å; V214-F246 HydrophobicContact CG1-CZ 4.29Å; F246-H248 PolarHBondContact O-N 2.95Å; F246-F251 HydrophobicContact CB-CE2 4.45Å; F246-P262 HydrophobicContact CB-CG 4.05Å; F246-P262 HydrophobicContact CD1-CB 4.09Å; F246-P262 HydrophobicContact CD1-CG 3.93Å; F246-P262 WeakPolarHBondContact CE1-O 3.25Å; F246-P262 HydrophobicContact CG-CG 4.45Å; F246-V264 HydrophobicContact CD1-CG2 3.66Å; F246-V264 HydrophobicContact CD2-CG2 4.21Å; F246-V264 HydrophobicContact CE1-CB 3.91Å; F246-V264 HydrophobicContact CE1-CG2 3.48Å; F246-V264 VanDerWaalsContact CE1-CG2 3.48Å; F246-V264 HydrophobicContact CE2-CG2 4.07Å; F246-V264 HydrophobicContact CG-CG2 4.05Å; F246-V264 HydrophobicContact CZ-CB 3.93Å; F246-V264 HydrophobicContact CZ-CG2 3.7Å; F246-L283 HydrophobicContact CD2-CD2 4.26Å; F246-L283 HydrophobicContact CE2-CD2 4.03Å
247	S	93	Very high	91.3	Very high	24 Å²	24	53.4 Å²	53.4	17%	0.168	30%	0.3	C	S	.	.			trans	-60.8	125.5	-179.7	175.8	0	0	0	0	111	N211 L249 Y250	N211-S247 WeakPolarHBondContact OD1-CA 3.49Å; S247-L249 PolarHBondContact O-N 2.9Å; S247-L249 VanDerWaalsContact O-N 3.16Å; S247-L249 PolarHBondContact OG-N 3.49Å; S247-Y250 PolarHBondContact O-N 3.3Å
248	H	91.6	Very high	91.2	Very high	69 Å²	69	49.8 Å²	49.8	32%	0.319	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-60.4	-21.8	177.9	65.9	-74.2	0	0	0	112.7	P201 N211 F246 Y250 F251	P201-H248 HydrophobicContact CG-CB 4Å; N211-H248 PolarHBondContact OD1-N 3.45Å; N211-H248 PolarHBondContact OD1-ND1 3.31Å; F246-H248 PolarHBondContact O-N 2.95Å; H248-Y250 PolarHBondContact O-N 3.28Å; H248-Y250 VanDerWaalsContact O-N 3.17Å; H248-F251 PolarHBondContact O-N 3.38Å
249	L	92	Very high	91.5	Very high	20 Å²	20	48.6 Å²	48.6	11%	0.105	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-61.8	-21.9	180	-58.6	178.5	0	0	0	113.7	C151 K155 C164 S247 F251	C151-L249 HydrophobicContact CB-CD1 4.32Å; K155-L249 HydrophobicContact CB-CD2 4.42Å; C164-L249 PolarHBondContact SG-O 2.99Å; C164-L249 VanDerWaalsContact SG-O 3.37Å; S247-L249 PolarHBondContact O-N 2.9Å; S247-L249 VanDerWaalsContact O-N 3.16Å; S247-L249 PolarHBondContact OG-N 3.49Å; L249-F251 VanDerWaalsContact C-N 3.28Å
250	Y	92.7	Very high	91.8	Very high	22 Å²	22	44.2 Å²	44.2	9%	0.086	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-81.3	-6.8	177.1	-68.8	-97.1	0	0	0	113	C164 K165 F166 S247 H248 Y259 P262	C164-Y250 HydrophobicContact CB-CD1 3.68Å; C164-Y250 HydrophobicContact CB-CE1 3.48Å; C164-Y250 VanDerWaalsContact CB-CE1 3.48Å; C164-Y250 HydrophobicContact CB-CE2 4.5Å; C164-Y250 HydrophobicContact CB-CG 4.24Å; K165-Y250 PolarHBondContact O-OH 3.48Å; F166-Y250 HydrophobicContact CB-CE1 3.85Å; F166-Y250 HydrophobicContact CD2-CE1 4.49Å; S247-Y250 PolarHBondContact O-N 3.3Å; H248-Y250 PolarHBondContact O-N 3.28Å; H248-Y250 VanDerWaalsContact O-N 3.17Å; Y250-Y259 WeakPolarHBondContact O-CE2 3.36Å; Y250-Y259 PolarHBondContact O-OH 3.5Å; Y250-P262 HydrophobicContact CD1-CB 4.41Å; Y250-P262 HydrophobicContact CD2-CB 3.87Å; Y250-P262 HydrophobicContact CD2-CG 4.31Å; Y250-P262 HydrophobicContact CE2-CB 4.3Å; Y250-P262 HydrophobicContact CG-CB 3.93Å; Y250-P262 HydrophobicContact CG-CG 4.1Å
251	F	92.9	Very high	92.2	Very high	18 Å²	18	40.3 Å²	40.3	8%	0.079	20%	0.204	C	C	.	.			trans	-108.7	149.4	-179.9	-58.5	-79.9	0	0	0	110.1	I193 W199 L200 P201 F246 H248 L249 P262	I193-F251 HydrophobicContact CB-CZ 4.26Å; I193-F251 HydrophobicContact CD1-CZ 4.08Å; I193-F251 HydrophobicContact CG2-CE1 4.32Å; I193-F251 HydrophobicContact CG2-CZ 4.25Å; W199-F251 AromaticContact CE3-CD1 3.69Å; W199-F251 HydrophobicContact CE3-CD1 3.69Å; W199-F251 AromaticContact CE3-CE1 3.84Å; W199-F251 HydrophobicContact CE3-CE1 3.84Å; W199-F251 HydrophobicContact CE3-CG 4.23Å; W199-F251 HydrophobicContact CE3-CZ 4.5Å; W199-F251 AromaticContact CZ3-CD1 3.76Å; W199-F251 HydrophobicContact CZ3-CD1 3.76Å; W199-F251 HydrophobicContact CZ3-CD2 4.27Å; W199-F251 AromaticContact CZ3-CE1 3.61Å; W199-F251 HydrophobicContact CZ3-CE1 3.61Å; W199-F251 HydrophobicContact CZ3-CE2 4.15Å; W199-F251 HydrophobicContact CZ3-CG 4.09Å; W199-F251 AromaticContact CZ3-CZ 3.82Å; W199-F251 HydrophobicContact CZ3-CZ 3.82Å; L200-F251 HydrophobicContact CD1-CB 4.23Å; P201-F251 HydrophobicContact CG-CD2 4.48Å; F246-F251 HydrophobicContact CB-CE2 4.45Å; H248-F251 PolarHBondContact O-N 3.38Å; L249-F251 VanDerWaalsContact C-N 3.28Å; F251-P262 HydrophobicContact CE2-CG 3.9Å; F251-P262 HydrophobicContact CZ-CG 3.87Å
252	P	92.6	Very high	92.4	Very high	36 Å²	36	35 Å²	35	23%	0.234	18%	0.181	C	C	.	.			cis	-87.6	159.8	7.2	34.5	-35.5	0	0	0	114.5	W199 L254 Q256	W199-P252 WeakPolarHBondContact O-CA 3.33Å; P252-L254 HydrophobicContact CB-CD2 4.47Å; P252-L254 HydrophobicContact CB-CG 4.32Å; P252-L254 HydrophobicContact CG-CD1 3.99Å; P252-L254 HydrophobicContact CG-CD2 4.46Å; P252-L254 HydrophobicContact CG-CG 4.02Å; P252-Q256 PolarHBondContact O-NE2 2.99Å
253	Y	92.2	Very high	92.5	Very high	48 Å²	48	32.5 Å²	32.5	19%	0.188	17%	0.166	C	C	.	.	B	Isolated β-bridge	trans	-85.1	117.2	165.3	174	-117.9	0	0	0	110.1	K195 Y197 G198 M255 Y259	K195-Y253 HydrophobicContact CB-CD1 3.73Å; K195-Y253 HydrophobicContact CB-CE1 3.88Å; K195-Y253 HydrophobicContact CB-CG 4.2Å; K195-Y253 HydrophobicContact CD-CD1 4.41Å; K195-Y253 HydrophobicContact CD-CD2 4.24Å; K195-Y253 HydrophobicContact CD-CE1 4.13Å; K195-Y253 HydrophobicContact CD-CE2 3.98Å; K195-Y253 HydrophobicContact CD-CG 4.42Å; K195-Y253 HydrophobicContact CG-CD1 4.43Å; K195-Y253 HydrophobicContact CG-CG 4.47Å; Y197-Y253 WeakPolarHBondContact CA-O 3.41Å; G198-Y253 PolarHBondContact N-O 2.87Å; Y253-M255 HydrophobicContact CE1-CG 4.03Å; Y253-M255 HydrophobicContact CE2-CG 4.35Å; Y253-M255 WeakPolarHBondContact OH-CG 3.46Å; Y253-Y259 AromaticContact CD2-CD1 3.42Å; Y253-Y259 HydrophobicContact CD2-CD1 3.42Å; Y253-Y259 VanDerWaalsContact CD2-CD1 3.42Å; Y253-Y259 AromaticContact CD2-CD2 3.97Å; Y253-Y259 HydrophobicContact CD2-CD2 3.97Å; Y253-Y259 AromaticContact CD2-CE1 3.67Å; Y253-Y259 HydrophobicContact CD2-CE1 3.67Å; Y253-Y259 HydrophobicContact CD2-CE2 4.15Å; Y253-Y259 AromaticContact CD2-CG 3.6Å; Y253-Y259 HydrophobicContact CD2-CG 3.6Å; Y253-Y259 AromaticContact CE2-CD1 3.86Å; Y253-Y259 HydrophobicContact CE2-CD1 3.86Å; Y253-Y259 HydrophobicContact CE2-CE1 4.44Å; Y253-Y259 HydrophobicContact CE2-CG 4.07Å; Y253-Y259 HydrophobicContact CG-CD1 4.36Å; Y253-Y259 HydrophobicContact CG-CE1 4.18Å
254	L	91.8	Very high	92.6	Very high	51 Å²	51	31.3 Å²	31.3	27%	0.267	16%	0.161	S	C	.	.	S	Bend	trans	-124.8	30.8	-179.7	-60.7	175.2	0	0	0	111.4	V160 Y197 P252 Q256	V160-L254 HydrophobicContact CB-CD1 4.25Å; Y197-L254 HydrophobicContact CE1-CD2 4.13Å; Y197-L254 HydrophobicContact CE2-CB 4.44Å; Y197-L254 HydrophobicContact CE2-CD2 4.4Å; P252-L254 HydrophobicContact CB-CD2 4.47Å; P252-L254 HydrophobicContact CB-CG 4.32Å; P252-L254 HydrophobicContact CG-CD1 3.99Å; P252-L254 HydrophobicContact CG-CD2 4.46Å; P252-L254 HydrophobicContact CG-CG 4.02Å; L254-Q256 HydrophobicContact CB-CG 4.38Å; L254-Q256 PolarHBondContact O-N 2.93Å
255	M	88.1	Confident	92.6	Very high	76 Å²	76	31.3 Å²	31.3	37%	0.374	16%	0.161	S	C	.	.			trans	59.2	26.5	-172.8	-75.9	-168	-88.9	0	0	114.4	D83 Q84 Y197 Y253	D83-M255 WeakPolarHBondContact O-CE 3.27Å; Q84-M255 VanDerWaalsContact CA-CE 3.46Å; Y197-M255 HydrophobicContact CD2-CE 3.97Å; Y197-M255 HydrophobicContact CD2-CG 4.36Å; Y197-M255 HydrophobicContact CE2-CE 3.83Å; Y197-M255 HydrophobicContact CE2-CG 4.43Å; Y253-M255 HydrophobicContact CE1-CG 4.03Å; Y253-M255 HydrophobicContact CE2-CG 4.35Å; Y253-M255 WeakPolarHBondContact OH-CG 3.46Å
256	Q	89.8	Confident	92.7	Very high	20 Å²	20	29 Å²	29	9%	0.093	15%	0.151	C	C	.	.			trans	-58.8	143.6	176.6	-53	101.9	-38.8	0	0	111.5	V160 V163 P252 L254 Y259	V160-Q256 WeakPolarHBondContact O-CG 3.43Å; V160-Q256 PolarHBondContact O-NE2 3.38Å; V163-Q256 HydrophobicContact CG1-CB 3.29Å; V163-Q256 HydrophobicContact CG1-CG 3.91Å; P252-Q256 PolarHBondContact O-NE2 2.99Å; L254-Q256 HydrophobicContact CB-CG 4.38Å; L254-Q256 PolarHBondContact O-N 2.93Å; Q256-Y259 VanDerWaalsContact O-CB 3.27Å; Q256-Y259 WeakPolarHBondContact O-CB 3.25Å; Q256-Y259 PolarHBondContact O-N 3.27Å
257	V	87.9	Confident	92.7	Very high	134 Å²	134	29.2 Å²	29.2	81%	0.812	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	140.1	177.7	-178.5	0	0	0	0	109.4	Y259	V257-Y259 PolarHBondContact O-N 3.47Å
258	A	89.1	Confident	92.8	Very high	19 Å²	19	28 Å²	28	16%	0.157	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.3	9.3	-178.2	0	0	0	0	0	116.1	V140 F148 R260	V140-A258 HydrophobicContact CG1-CB 4.17Å; V140-A258 HydrophobicContact CG2-CB 4.33Å; F148-A258 HydrophobicContact CE1-CB 3.82Å; F148-A258 HydrophobicContact CZ-CB 3.7Å; A258-R260 PolarHBondContact O-N 3.49Å
259	Y	92.4	Very high	92.8	Very high	8 Å²	8	25.2 Å²	25.2	3%	0.031	13%	0.133	C	C	.	.			trans	-55.3	131.6	176.7	-179.8	-82.6	0	0	0	112.6	V163 K195 Y250 Y253 Q256 V257	V163-Y259 HydrophobicContact CG1-CD2 4.04Å; K195-Y259 HydrophobicContact CD-CD1 4.21Å; K195-Y259 HydrophobicContact CD-CE1 4.17Å; K195-Y259 HydrophobicContact CG-CE1 4.22Å; K195-Y259 PolarHBondContact NZ-O 3.32Å; Y250-Y259 WeakPolarHBondContact O-CE2 3.36Å; Y250-Y259 PolarHBondContact O-OH 3.5Å; Y253-Y259 AromaticContact CD2-CD1 3.42Å; Y253-Y259 HydrophobicContact CD2-CD1 3.42Å; Y253-Y259 VanDerWaalsContact CD2-CD1 3.42Å; Y253-Y259 AromaticContact CD2-CD2 3.97Å; Y253-Y259 HydrophobicContact CD2-CD2 3.97Å; Y253-Y259 AromaticContact CD2-CE1 3.67Å; Y253-Y259 HydrophobicContact CD2-CE1 3.67Å; Y253-Y259 HydrophobicContact CD2-CE2 4.15Å; Y253-Y259 AromaticContact CD2-CG 3.6Å; Y253-Y259 HydrophobicContact CD2-CG 3.6Å; Y253-Y259 AromaticContact CE2-CD1 3.86Å; Y253-Y259 HydrophobicContact CE2-CD1 3.86Å; Y253-Y259 HydrophobicContact CE2-CE1 4.44Å; Y253-Y259 HydrophobicContact CE2-CG 4.07Å; Y253-Y259 HydrophobicContact CG-CD1 4.36Å; Y253-Y259 HydrophobicContact CG-CE1 4.18Å; Q256-Y259 VanDerWaalsContact O-CB 3.27Å; Q256-Y259 WeakPolarHBondContact O-CB 3.25Å; Q256-Y259 PolarHBondContact O-N 3.27Å; V257-Y259 PolarHBondContact O-N 3.47Å
260	R	92.5	Very high	92.8	Very high	58 Å²	58	28 Å²	28	22%	0.219	15%	0.153	C	C	.	.			trans	-128.7	132.8	174.2	-66.8	-61.7	179.7	-89.8	2.6	109.8	F136 Y137 V140 A258	F136-R260 PolarHBondContact O-NE 2.01Å; F136-R260 PolarHBondContact O-NH2 3.46Å; Y137-R260 HydrophobicContact CD1-CB 3.85Å; Y137-R260 HydrophobicContact CD1-CG 4.15Å; Y137-R260 HydrophobicContact CE1-CB 3.56Å; Y137-R260 HydrophobicContact CE1-CG 4.21Å; V140-R260 HydrophobicContact CB-CG 4.38Å; V140-R260 HydrophobicContact CG1-CG 4.46Å; V140-R260 HydrophobicContact CG2-CG 4.01Å; V140-R260 VanDerWaalsContact CG2-NH2 3.31Å; A258-R260 PolarHBondContact O-N 3.49Å
261	S	93.4	Very high	92.8	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	15%	0.153	C	C	.	.			trans	-71.8	146	179.2	-58.5	0	0	0	0	109.9	Y137 K192 K195	Y137-S261 WeakPolarHBondContact CE1-O 3.46Å; Y137-S261 PolarHBondContact OH-O 2.88Å; K192-S261 WeakPolarHBondContact CE-OG 3.21Å; K195-S261 WeakPolarHBondContact CG-OG 3.3Å
262	P	94.5	Very high	92.8	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.019	17%	0.171	C	C	.	.			trans	-63.9	147.1	174.7	28.2	-33.1	0	0	0	110.3	F246 Y250 F251	F246-P262 HydrophobicContact CB-CG 4.05Å; F246-P262 HydrophobicContact CD1-CB 4.09Å; F246-P262 HydrophobicContact CD1-CG 3.93Å; F246-P262 WeakPolarHBondContact CE1-O 3.25Å; F246-P262 HydrophobicContact CG-CG 4.45Å; Y250-P262 HydrophobicContact CD1-CB 4.41Å; Y250-P262 HydrophobicContact CD2-CB 3.87Å; Y250-P262 HydrophobicContact CD2-CG 4.31Å; Y250-P262 HydrophobicContact CE2-CB 4.3Å; Y250-P262 HydrophobicContact CG-CB 3.93Å; Y250-P262 HydrophobicContact CG-CG 4.1Å; F251-P262 HydrophobicContact CE2-CG 3.9Å; F251-P262 HydrophobicContact CZ-CG 3.87Å
263	L	95.7	Very high	92.7	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.005	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	147.6	179.1	-56.6	178.2	0	0	0	110.1	F133 L134 Y137 F166 M171 I190 K192	F133-L263 HydrophobicContact CE1-CD1 3.87Å; F133-L263 HydrophobicContact CE1-CD2 3.75Å; F133-L263 HydrophobicContact CE1-CG 4.49Å; F133-L263 HydrophobicContact CZ-CD2 3.82Å; L134-L263 HydrophobicContact CD2-CD1 3.81Å; Y137-L263 HydrophobicContact CD1-CD1 4.2Å; Y137-L263 HydrophobicContact CD2-CD1 4.17Å; Y137-L263 HydrophobicContact CE1-CD1 3.86Å; Y137-L263 HydrophobicContact CE1-CD2 4.34Å; Y137-L263 HydrophobicContact CE1-CG 3.88Å; Y137-L263 HydrophobicContact CE2-CD1 3.85Å; Y137-L263 HydrophobicContact CE2-CD2 4.32Å; Y137-L263 HydrophobicContact CE2-CG 4.39Å; Y137-L263 HydrophobicContact CG-CD1 4.36Å; Y137-L263 WeakPolarHBondContact OH-CD2 3.36Å; F166-L263 HydrophobicContact CD1-CB 4.34Å; F166-L263 HydrophobicContact CD1-CD1 4.11Å; F166-L263 HydrophobicContact CD1-CG 4.19Å; F166-L263 HydrophobicContact CE1-CB 3.68Å; F166-L263 HydrophobicContact CE1-CD1 3.86Å; F166-L263 HydrophobicContact CE1-CG 3.98Å; F166-L263 HydrophobicContact CE2-CB 4.34Å; F166-L263 WeakPolarHBondContact CE2-O 3.29Å; F166-L263 HydrophobicContact CZ-CB 3.68Å; F166-L263 HydrophobicContact CZ-CG 4.42Å; F166-L263 WeakPolarHBondContact CZ-O 3.27Å; M171-L263 HydrophobicContact SD-CD1 4.43Å; I190-L263 HydrophobicContact CG2-CB 3.97Å; I190-L263 HydrophobicContact CG2-CD1 4.08Å; I190-L263 HydrophobicContact CG2-CD2 3.92Å; I190-L263 HydrophobicContact CG2-CG 4.22Å; K192-L263 HydrophobicContact CB-CD2 3.96Å; K192-L263 HydrophobicContact CD-CD2 4.36Å; K192-L263 HydrophobicContact CG-CD2 4.31Å
264	V	96.3	Very high	92.7	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	119.8	167.2	171.3	0	0	0	0	107.3	M191 V214 Y232 F233 F245 F246 V266	M191-V264 HydrophobicContact CB-CB 4.47Å; M191-V264 PolarHBondContact N-O 3.43Å; M191-V264 PolarHBondContact O-N 3.09Å; V214-V264 HydrophobicContact CG1-CB 4.16Å; V214-V264 HydrophobicContact CG1-CG1 3.79Å; V214-V264 HydrophobicContact CG1-CG2 4.17Å; Y232-V264 HydrophobicContact CD1-CG1 4.37Å; F233-V264 CarbonylContact O-C 3.58Å; F233-V264 WeakPolarHBondContact O-CA 3.39Å; F245-V264 WeakPolarHBondContact O-CG2 3.26Å; F246-V264 HydrophobicContact CD1-CG2 3.66Å; F246-V264 HydrophobicContact CD2-CG2 4.21Å; F246-V264 HydrophobicContact CE1-CB 3.91Å; F246-V264 HydrophobicContact CE1-CG2 3.48Å; F246-V264 VanDerWaalsContact CE1-CG2 3.48Å; F246-V264 HydrophobicContact CE2-CG2 4.07Å; F246-V264 HydrophobicContact CG-CG2 4.05Å; F246-V264 HydrophobicContact CZ-CB 3.93Å; F246-V264 HydrophobicContact CZ-CG2 3.7Å; V264-V266 HydrophobicContact CG1-CG2 4.26Å
265	A	96.6	Very high	92.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	127.4	170.5	0	0	0	0	0	109.6	M171 C174 Y232 F233	M171-A265 HydrophobicContact CB-CB 3.96Å; M171-A265 HydrophobicContact CG-CB 4.23Å; C174-A265 HydrophobicContact CB-CB 3.75Å; Y232-A265 CarbonylContact C-O 3.58Å; Y232-A265 WeakPolarHBondContact CA-O 3.44Å; F233-A265 HydrophobicContact CB-CB 4.31Å; F233-A265 PolarHBondContact N-O 2.9Å; F233-A265 PolarHBondContact O-N 3.38Å
266	V	96.1	Very high	93	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	113.1	176.2	-176.8	0	0	0	0	107.1	C188 V189 M191 C216 V230 L231 Y232 V264 F268	C188-V266 CarbonylContact C-O 3.25Å; C188-V266 WeakPolarHBondContact CA-O 3.23Å; V189-V266 PolarHBondContact N-O 3.02Å; V189-V266 PolarHBondContact O-N 3.38Å; M191-V266 HydrophobicContact CB-CG2 4.4Å; M191-V266 HydrophobicContact CG-CB 4.47Å; M191-V266 HydrophobicContact CG-CG2 3.53Å; C216-V266 HydrophobicContact CB-CG1 4.34Å; V230-V266 HydrophobicContact CG1-CG1 3.42Å; V230-V266 VanDerWaalsContact CG1-CG1 3.42Å; L231-V266 CarbonylContact O-C 3.5Å; L231-V266 WeakPolarHBondContact O-CA 3.5Å; Y232-V266 HydrophobicContact CD1-CG1 4.31Å; Y232-V266 HydrophobicContact CD1-CG2 3.8Å; Y232-V266 HydrophobicContact CE1-CG1 3.99Å; Y232-V266 HydrophobicContact CE1-CG2 3.93Å; V264-V266 HydrophobicContact CG1-CG2 4.26Å; V266-F268 HydrophobicContact CG1-CE2 4.22Å; V266-F268 HydrophobicContact CG1-CZ 4.07Å
267	Q	95.1	Very high	93.2	Very high	5 Å²	5	38.5 Å²	38.5	2%	0.023	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	129.8	178.7	-172.4	-175.8	34.6	0	0	110.3	V230 L231 F233 A269	V230-Q267 WeakPolarHBondContact CA-O 3.43Å; L231-Q267 HydrophobicContact CB-CB 4.34Å; L231-Q267 PolarHBondContact N-O 3.41Å; L231-Q267 PolarHBondContact O-N 3.47Å; F233-Q267 HydrophobicContact CE2-CB 4.1Å; Q267-A269 PolarHBondContact O-N 3Å
268	F	94.5	Very high	93.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	101.1	170	-59.1	-87.4	0	0	0	107.9	Q186 P187 V189 F227 V230 V266 P271 V279 F295 I297	Q186-F268 CarbonylContact C-O 3.52Å; Q186-F268 WeakPolarHBondContact CA-O 3.32Å; Q186-F268 WeakPolarHBondContact CB-O 3.38Å; P187-F268 HydrophobicContact CG-CB 4.29Å; P187-F268 HydrophobicContact CG-CD2 4.29Å; P187-F268 WeakPolarHBondContact O-CD2 3.26Å; P187-F268 PolarHBondContact O-N 3.41Å; P187-F268 VanDerWaalsContact O-N 3.09Å; V189-F268 HydrophobicContact CB-CE2 4.34Å; V189-F268 HydrophobicContact CG2-CE2 3.9Å; F227-F268 HydrophobicContact CE1-CE1 4.03Å; F227-F268 AromaticContact CE2-CE1 3.86Å; F227-F268 HydrophobicContact CE2-CE1 3.86Å; F227-F268 HydrophobicContact CZ-CD1 4.32Å; F227-F268 AromaticContact CZ-CE1 3.51Å; F227-F268 HydrophobicContact CZ-CE1 3.51Å; F227-F268 HydrophobicContact CZ-CZ 4.44Å; V230-F268 HydrophobicContact CG2-CD1 3.63Å; V230-F268 HydrophobicContact CG2-CE1 3.87Å; V266-F268 HydrophobicContact CG1-CE2 4.22Å; V266-F268 HydrophobicContact CG1-CZ 4.07Å; F268-P271 HydrophobicContact CB-CB 4.34Å; F268-P271 HydrophobicContact CB-CG 4.14Å; F268-P271 WeakPolarHBondContact O-CD 3.38Å; F268-V279 HydrophobicContact CE1-CG1 4.19Å; F268-V279 HydrophobicContact CE1-CG2 4.31Å; F268-V279 HydrophobicContact CZ-CG1 3.97Å; F268-V279 HydrophobicContact CZ-CG2 4.35Å; F268-F295 HydrophobicContact CE2-CE2 4.42Å; F268-F295 HydrophobicContact CE2-CZ 4.12Å; F268-F295 HydrophobicContact CZ-CE2 4.43Å; F268-F295 AromaticContact CZ-CZ 3.91Å; F268-F295 HydrophobicContact CZ-CZ 3.91Å; F268-I297 HydrophobicContact CD1-CD1 4.22Å; F268-I297 HydrophobicContact CD2-CD1 3.57Å; F268-I297 HydrophobicContact CE1-CD1 4.07Å; F268-I297 HydrophobicContact CE2-CD1 3.42Å; F268-I297 VanDerWaalsContact CE2-CD1 3.42Å; F268-I297 HydrophobicContact CG-CD1 4Å; F268-I297 HydrophobicContact CZ-CD1 3.7Å
269	A	93	Very high	93.8	Very high	10 Å²	10	33.9 Å²	33.9	8%	0.083	17%	0.165	C	C	.	.	S	Bend	trans	-78	-28.3	-171.6	0	0	0	0	0	112.9	Q186 E229 L231 Q267	Q186-A269 WeakPolarHBondContact CG-O 3.4Å; Q186-A269 PolarHBondContact NE2-O 2.82Å; E229-A269 HydrophobicContact CB-CB 4.38Å; E229-A269 WeakPolarHBondContact O-CB 3.29Å; E229-A269 PolarHBondContact O-N 2.96Å; L231-A269 HydrophobicContact CD1-CB 4.1Å; L231-A269 HydrophobicContact CG-CB 4.25Å; Q267-A269 PolarHBondContact O-N 3Å
270	S	91.5	Very high	93.9	Very high	77 Å²	77	37 Å²	37	54%	0.538	18%	0.176	S	C	.	.	S	Bend	trans	-147.6	57.8	179.8	-65.3	0	0	0	0	113	G228	G228-S270 WeakPolarHBondContact CA-O 3.44Å
271	P	92.7	Very high	94	Very high	12 Å²	12	34.2 Å²	34.2	8%	0.078	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-67.5	143.5	174.9	30.8	-34.6	0	0	0	110.4	S185 F268 R273 L277 V299	S185-P271 WeakPolarHBondContact O-CG 3.05Å; F268-P271 HydrophobicContact CB-CB 4.34Å; F268-P271 HydrophobicContact CB-CG 4.14Å; F268-P271 WeakPolarHBondContact O-CD 3.38Å; P271-R273 PolarHBondContact O-N 3.47Å; P271-L277 HydrophobicContact CB-CD1 3.8Å; P271-V299 HydrophobicContact CG-CG2 4.31Å
272	K	92.5	Very high	94.1	Very high	104 Å²	104	36.3 Å²	36.3	45%	0.452	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-66	130.7	172.8	-170.8	176.1	-175.2	-179.8	0	110.6	N226 V275	N226-K272 HydrophobicContact CB-CB 3.92Å; N226-K272 HydrophobicContact CB-CD 3.87Å; N226-K272 VanDerWaalsContact CG-CD 3.47Å; N226-K272 WeakPolarHBondContact O-CB 3.32Å; N226-K272 PolarHBondContact O-N 3.38Å; N226-K272 WeakPolarHBondContact OD1-CD 3.49Å; N226-K272 PolarHBondContact OD1-NZ 3.36Å; K272-V275 HydrophobicContact CD-CG2 4Å; K272-V275 HydrophobicContact CG-CG2 4.18Å
273	R	91.9	Very high	94.1	Very high	135 Å²	135	36.8 Å²	36.8	51%	0.509	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	156.5	-179.9	-60.7	-175.1	-176.4	-179.8	-2.7	112.7	S185 P271 V275 V299	S185-R273 PolarHBondContact OG-NH2 2.84Å; P271-R273 PolarHBondContact O-N 3.47Å; R273-V275 PolarHBondContact O-N 3.43Å; R273-V299 CarbonylContact C-O 3.59Å; R273-V299 VanDerWaalsContact CA-O 3.23Å; R273-V299 WeakPolarHBondContact CA-O 3.47Å
274	H	92.2	Very high	93.9	Very high	127 Å²	127	39.4 Å²	39.4	59%	0.588	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.4	25.9	179	-51	-48.2	0	0	0	114.5	V299 D300	H274-V299 PolarHBondContact N-O 3.31Å; H274-D300 IonicContact CE1-OD1 3.72Å; H274-D300 PolarHBondContact CE1-OXT 2.85Å; H274-D300 IonicContact CG-OD1 3.93Å; H274-D300 IonicContact ND1-OD1 2.87Å; H274-D300 PolarHBondContact ND1-OD1 3.14Å
275	V	92.6	Very high	93.7	Very high	41 Å²	41	40.2 Å²	40.2	25%	0.248	19%	0.194	C	C	.	.	S	Bend	trans	-130.6	136.7	176.3	179.2	0	0	0	0	108.1	K272 R273 L277 L298	K272-V275 HydrophobicContact CD-CG2 4Å; K272-V275 HydrophobicContact CG-CG2 4.18Å; R273-V275 PolarHBondContact O-N 3.43Å; V275-L277 HydrophobicContact CG1-CD2 4.3Å; V275-L277 PolarHBondContact O-N 3.01Å; V275-L298 WeakPolarHBondContact O-CD1 3.29Å
276	L	93	Very high	93.5	Very high	71 Å²	71	40.6 Å²	40.6	37%	0.372	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	116.3	172.6	-174.4	69.6	0	0	0	108.9	L112 E296 L298	L112-L276 HydrophobicContact CD1-CD1 3.61Å; L276-E296 HydrophobicContact CD1-CB 4.04Å; L276-L298 HydrophobicContact CD1-CB 4.04Å
277	L	93.6	Very high	93.2	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	120.1	178.5	-59.4	175.5	0	0	0	109.6	N226 P271 V275 E296 I297	N226-L277 HydrophobicContact CB-CD2 3.48Å; N226-L277 VanDerWaalsContact CB-CD2 3.48Å; P271-L277 HydrophobicContact CB-CD1 3.8Å; V275-L277 HydrophobicContact CG1-CD2 4.3Å; V275-L277 PolarHBondContact O-N 3.01Å; L277-E296 CarbonylContact O-C 3.56Å; L277-E296 WeakPolarHBondContact O-CA 3.3Å; L277-I297 PolarHBondContact N-O 3.18Å; L277-I297 PolarHBondContact O-N 3.09Å
278	M	94.3	Very high	92.8	Very high	56 Å²	56	49.3 Å²	49.3	28%	0.276	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	119.2	170.3	-64.8	-179.2	173.4	0	0	109.4	G218 Q219 E296	G218-M278 CarbonylContact C-O 3.58Å; G218-M278 WeakPolarHBondContact CA-O 3.27Å; Q219-M278 HydrophobicContact CB-CB 3.78Å; Q219-M278 PolarHBondContact N-O 2.86Å; M278-E296 HydrophobicContact CG-CG 4.28Å
279	V	94.6	Very high	92.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	129.3	-175	-174.7	0	0	0	0	110.1	C216 F227 F268 D294 F295 I297	C216-V279 HydrophobicContact CB-CG1 4.13Å; F227-V279 HydrophobicContact CE2-CB 4.06Å; F227-V279 HydrophobicContact CE2-CG1 3.72Å; F227-V279 HydrophobicContact CE2-CG2 3.69Å; F227-V279 HydrophobicContact CZ-CG1 3.7Å; F227-V279 HydrophobicContact CZ-CG2 4.45Å; F268-V279 HydrophobicContact CE1-CG1 4.19Å; F268-V279 HydrophobicContact CE1-CG2 4.31Å; F268-V279 HydrophobicContact CZ-CG1 3.97Å; F268-V279 HydrophobicContact CZ-CG2 4.35Å; V279-D294 CarbonylContact O-C 3.24Å; V279-D294 VanDerWaalsContact O-CA 3.3Å; V279-D294 WeakPolarHBondContact O-CA 3.24Å; V279-F295 HydrophobicContact CB-CD1 4.16Å; V279-F295 HydrophobicContact CB-CD2 4.27Å; V279-F295 HydrophobicContact CB-CE1 3.91Å; V279-F295 HydrophobicContact CB-CE2 4.04Å; V279-F295 HydrophobicContact CB-CG 4.34Å; V279-F295 HydrophobicContact CB-CZ 3.84Å; V279-F295 HydrophobicContact CG1-CD1 4.33Å; V279-F295 HydrophobicContact CG1-CE1 3.66Å; V279-F295 HydrophobicContact CG1-CE2 4.32Å; V279-F295 HydrophobicContact CG1-CZ 3.65Å; V279-F295 HydrophobicContact CG2-CD2 4.45Å; V279-F295 HydrophobicContact CG2-CE2 4.08Å; V279-F295 HydrophobicContact CG2-CZ 4.25Å; V279-F295 PolarHBondContact N-O 3.35Å; V279-F295 PolarHBondContact O-N 3.04Å; V279-I297 HydrophobicContact CG2-CD1 3.78Å; V279-I297 HydrophobicContact CG2-CG1 3.92Å
280	R	94.9	Very high	92.2	Very high	73 Å²	73	52.8 Å²	52.8	28%	0.275	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	118	173.3	179.3	167.7	-166.5	102.4	-17.9	110.3	C216 H217 Q219 P292 D294	C216-R280 CarbonylContact C-O 3.57Å; C216-R280 VanDerWaalsContact CA-O 3.29Å; C216-R280 WeakPolarHBondContact CA-O 3.33Å; H217-R280 PolarHBondContact N-O 2.98Å; H217-R280 PolarHBondContact ND1-O 2.93Å; H217-R280 PolarHBondContact O-N 3.19Å; Q219-R280 HydrophobicContact CB-CB 4.46Å; R280-P292 HydrophobicContact CG-CB 4.13Å; R280-D294 VanDerWaalsContact CB-OD1 3.32Å; R280-D294 WeakPolarHBondContact CB-OD1 3.19Å; R280-D294 WeakPolarHBondContact CG-OD1 3.39Å; R280-D294 IonicContact CZ-OD1 3.8Å; R280-D294 IonicContact NE-OD1 3.99Å; R280-D294 VanDerWaalsContact NH1-CG 3.28Å; R280-D294 IonicContact NH1-OD1 2.9Å; R280-D294 PolarHBondContact NH1-OD1 3.41Å; R280-D294 IonicContact NH1-OD2 2.85Å; R280-D294 PolarHBondContact NH1-OD2 3.25Å
281	C	95.9	Very high	92.1	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	129.4	174.3	-61.3	0	0	0	0	110.8	L100 M191 R215 C216 P292 M293	L100-C281 HydrophobicContact CD1-CB 4.41Å; M191-C281 HydrophobicContact CE-CB 3.7Å; R215-C281 WeakPolarHBondContact O-CA 3.31Å; C216-C281 HydrophobicContact CB-CB 4.13Å; C216-C281 WeakPolarHBondContact CB-SG 3.46Å; C216-C281 WeakPolarHBondContact SG-CB 3.35Å; C216-C281 CovalentContact SG-SG 2.03Å; C216-C281 PolarHBondContact SG-SG 3.39Å; C281-P292 CarbonylContact O-C 3.58Å; C281-P292 WeakPolarHBondContact O-CA 3.48Å; C281-P292 WeakPolarHBondContact O-CB 3.37Å; C281-M293 PolarHBondContact N-O 3.28Å; C281-M293 PolarHBondContact O-N 3.16Å
282	E	94.5	Very high	92.1	Very high	46 Å²	46	57.1 Å²	57.1	22%	0.215	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	152.5	-175.9	71.2	-161.5	150	0	0	111.5	V214 R215 H217 F284 P292	V214-E282 WeakPolarHBondContact CA-O 3.46Å; R215-E282 PolarHBondContact N-O 3.22Å; R215-E282 VanDerWaalsContact N-O 3.14Å; R215-E282 IonicContact NH2-OE1 3.26Å; R215-E282 PolarHBondContact NH2-OE1 3.34Å; R215-E282 PolarHBondContact O-N 3.3Å; H217-E282 IonicContact CE1-OE1 3.03Å; H217-E282 PolarHBondContact CE1-OE1 2.77Å; H217-E282 IonicContact CE1-OE2 3.99Å; H217-E282 IonicContact ND1-OE1 3.44Å; H217-E282 PolarHBondContact ND1-OE1 3.45Å; E282-F284 HydrophobicContact CG-CD2 3.79Å; E282-F284 HydrophobicContact CG-CE2 3.11Å; E282-F284 HydrophobicContact CG-CZ 3.58Å; E282-F284 WeakPolarHBondContact OE1-CE2 3.3Å; E282-F284 WeakPolarHBondContact OE1-CZ 2.97Å; E282-P292 HydrophobicContact CB-CB 3.94Å
283	L	94.4	Very high	92.2	Very high	12 Å²	12	53.1 Å²	53.1	6%	0.063	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	135.2	173.7	-74.5	173.9	0	0	0	110.3	P98 L100 I193 L213 V214 F246 P289	P98-L283 HydrophobicContact CG-CD1 4.42Å; P98-L283 WeakPolarHBondContact O-CD1 3.5Å; L100-L283 HydrophobicContact CD1-CD2 4.25Å; L100-L283 HydrophobicContact CD1-CG 3.9Å; L100-L283 HydrophobicContact CD2-CD1 4.36Å; L100-L283 HydrophobicContact CD2-CD2 3.74Å; L100-L283 HydrophobicContact CD2-CG 3.95Å; L100-L283 HydrophobicContact CG-CD1 4.21Å; L100-L283 HydrophobicContact CG-CD2 4.15Å; L100-L283 HydrophobicContact CG-CG 3.79Å; I193-L283 HydrophobicContact CD1-CD1 4.44Å; I193-L283 HydrophobicContact CD1-CD2 3.96Å; I193-L283 HydrophobicContact CG1-CD2 4.21Å; L213-L283 CarbonylContact O-C 3.57Å; L213-L283 WeakPolarHBondContact O-CA 3.46Å; V214-L283 HydrophobicContact CB-CD2 4.42Å; F246-L283 HydrophobicContact CD2-CD2 4.26Å; F246-L283 HydrophobicContact CE2-CD2 4.03Å; L283-P289 HydrophobicContact CB-CB 4.02Å
284	F	91.8	Very high	92.3	Very high	56 Å²	56	49.3 Å²	49.3	25%	0.246	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	159.9	178.8	-82.3	-74.4	0	0	0	111.1	L213 R215 Y243 E282 V286	L213-F284 HydrophobicContact CB-CB 3.84Å; L213-F284 PolarHBondContact N-O 3.22Å; L213-F284 PolarHBondContact O-N 3.18Å; R215-F284 HydrophobicContact CB-CD2 3.76Å; R215-F284 HydrophobicContact CB-CE2 3.72Å; R215-F284 VanDerWaalsContact CZ-CZ 3.49Å; Y243-F284 HydrophobicContact CD1-CD2 4.46Å; Y243-F284 HydrophobicContact CE1-CD2 4.16Å; Y243-F284 HydrophobicContact CE1-CG 4.28Å; E282-F284 HydrophobicContact CG-CD2 3.79Å; E282-F284 HydrophobicContact CG-CE2 3.11Å; E282-F284 HydrophobicContact CG-CZ 3.58Å; E282-F284 WeakPolarHBondContact OE1-CE2 3.3Å; E282-F284 WeakPolarHBondContact OE1-CZ 2.97Å; F284-V286 PolarHBondContact O-N 3Å
285	N	92.2	Very high	92.4	Very high	17 Å²	17	43.4 Å²	43.4	9%	0.091	23%	0.229	C	C	.	.	S	Bend	trans	62.6	24.7	176.3	-163	36.7	0	0	0	114.4	I203 V204 N205 L208 S209 N211 L213	I203-N285 WeakPolarHBondContact CA-O 3.24Å; V204-N285 PolarHBondContact N-O 3.3Å; N205-N285 WeakPolarHBondContact CA-OD1 3.06Å; N205-N285 WeakPolarHBondContact CB-OD1 3.32Å; N205-N285 PolarHBondContact N-OD1 3.26Å; N205-N285 PolarHBondContact O-ND2 3.03Å; N205-N285 PolarHBondContact O-OD1 2.84Å; L208-N285 HydrophobicContact CD2-CB 4.27Å; S209-N285 PolarHBondContact O-ND2 2.97Å; N211-N285 PolarHBondContact O-ND2 3Å; L213-N285 HydrophobicContact CB-CB 4.4Å; L213-N285 HydrophobicContact CD1-CB 4.01Å; L213-N285 HydrophobicContact CG-CB 3.96Å
286	V	91.9	Very high	92.5	Very high	8 Å²	8	44.5 Å²	44.5	5%	0.048	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-130.6	136.9	179.7	174.8	0	0	0	0	109.2	W199 D202 P212 F284	W199-V286 HydrophobicContact CZ2-CG1 3.9Å; D202-V286 WeakPolarHBondContact O-CA 3.13Å; P212-V286 HydrophobicContact CB-CG2 3.6Å; P212-V286 HydrophobicContact CG-CG2 3.79Å; F284-V286 PolarHBondContact O-N 3Å
287	H	89.3	Confident	92.5	Very high	88 Å²	88	41.1 Å²	41.1	41%	0.407	21%	0.214	S	C	.	.	S	Bend	trans	-69.9	135.5	171.7	-78.2	-72.4	0	0	0	110.8	D202	D202-H287 HydrophobicContact CB-CB 4.16Å; D202-H287 VanDerWaalsContact CG-CD2 3.47Å; D202-H287 PolarHBondContact O-N 2.97Å; D202-H287 IonicContact OD1-CD2 3.75Å; D202-H287 IonicContact OD2-CD2 3.21Å; D202-H287 PolarHBondContact OD2-CD2 3.19Å; D202-H287 IonicContact OD2-CG 3.62Å
288	N	87	Confident	92.5	Very high	101 Å²	101	43.1 Å²	43.1	54%	0.54	22%	0.224	S	C	.	.	S	Bend	trans	50.6	62.9	-177	-56.6	-28.8	0	0	0	112.8	S97	S97-N288 WeakPolarHBondContact CB-O 3.48Å; S97-N288 PolarHBondContact OG-O 2.87Å
289	P	88.1	Confident	92.4	Very high	65 Å²	65	40.5 Å²	40.5	42%	0.422	21%	0.211	S	C	.	.			trans	-62	143.6	173.4	29.7	-33.6	0	0	0	109.5	L283	L283-P289 HydrophobicContact CB-CB 4.02Å
290	G	87.3	Confident	92.1	Very high	18 Å²	18	44.2 Å²	44.2	19%	0.186	23%	0.231	C	C	.	.			trans	-66.8	178	172.1	0	0	0	0	0	112.2	P98	P98-G290 PolarHBondContact O-N 3.04Å
291	D	90.3	Very high	92	Very high	143 Å²	143	42.8 Å²	42.8	77%	0.765	23%	0.229	S	C	*	.			trans	-57.6	139	178.4	-67.2	-43.4	0	0	0	111.4
292	P	92.8	Very high	91.7	Very high	36 Å²	36	45 Å²	45	23%	0.234	24%	0.241	C	C	.	.			trans	-67	154.2	177	25.7	-29.4	0	0	0	111	R280 C281 E282	R280-P292 HydrophobicContact CG-CB 4.13Å; C281-P292 CarbonylContact O-C 3.58Å; C281-P292 WeakPolarHBondContact O-CA 3.48Å; C281-P292 WeakPolarHBondContact O-CB 3.37Å; E282-P292 HydrophobicContact CB-CB 3.94Å
293	M	93.8	Very high	91.6	Very high	21 Å²	21	44.9 Å²	44.9	10%	0.103	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	114.7	179.1	-177.2	66.4	-148.5	0	0	109.7	L100 M102 R105 T111 M191 C281	L100-M293 HydrophobicContact CB-CB 3.81Å; M102-M293 HydrophobicContact CB-CG 4.28Å; M102-M293 HydrophobicContact CG-CE 3.76Å; M102-M293 HydrophobicContact CG-CG 4.5Å; M102-M293 HydrophobicContact SD-CE 3.46Å; M102-M293 WeakPolarHBondContact SD-CE 3.35Å; R105-M293 VanDerWaalsContact NH2-CE 3.32Å; T111-M293 HydrophobicContact CG2-CE 3.92Å; M191-M293 HydrophobicContact CE-CB 4.1Å; M191-M293 HydrophobicContact CE-CG 4.23Å; C281-M293 PolarHBondContact N-O 3.28Å; C281-M293 PolarHBondContact O-N 3.16Å
294	D	94	Very high	91.4	Very high	55 Å²	55	46.9 Å²	46.9	29%	0.294	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	135	177.3	-60.6	-35.6	0	0	0	110.9	V279 R280	V279-D294 CarbonylContact O-C 3.24Å; V279-D294 VanDerWaalsContact O-CA 3.3Å; V279-D294 WeakPolarHBondContact O-CA 3.24Å; R280-D294 VanDerWaalsContact CB-OD1 3.32Å; R280-D294 WeakPolarHBondContact CB-OD1 3.19Å; R280-D294 WeakPolarHBondContact CG-OD1 3.39Å; R280-D294 IonicContact CZ-OD1 3.8Å; R280-D294 IonicContact NE-OD1 3.99Å; R280-D294 VanDerWaalsContact NH1-CG 3.28Å; R280-D294 IonicContact NH1-OD1 2.9Å; R280-D294 PolarHBondContact NH1-OD1 3.41Å; R280-D294 IonicContact NH1-OD2 2.85Å; R280-D294 PolarHBondContact NH1-OD2 3.25Å
295	F	94.4	Very high	91.4	Very high	3 Å²	3	46.3 Å²	46.3	1%	0.013	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	166.6	176.1	69.3	-87.7	0	0	0	112.6	M102 I113 V189 F268 V279 I297	M102-F295 HydrophobicContact CE-CB 3.72Å; M102-F295 HydrophobicContact CE-CD1 4.13Å; M102-F295 HydrophobicContact CE-CD2 3.58Å; M102-F295 HydrophobicContact CE-CE2 4.13Å; M102-F295 HydrophobicContact CE-CG 3.56Å; M102-F295 HydrophobicContact SD-CB 3.32Å; M102-F295 WeakPolarHBondContact SD-CB 3.12Å; M102-F295 HydrophobicContact SD-CD1 3.84Å; M102-F295 HydrophobicContact SD-CD2 4.24Å; M102-F295 HydrophobicContact SD-CG 3.57Å; M102-F295 VanDerWaalsContact SD-CG 3.57Å; I113-F295 HydrophobicContact CD1-CD2 4.3Å; I113-F295 HydrophobicContact CD1-CE2 4.31Å; V189-F295 HydrophobicContact CB-CZ 4.25Å; V189-F295 HydrophobicContact CG1-CE1 4.42Å; V189-F295 HydrophobicContact CG1-CE2 4.38Å; V189-F295 HydrophobicContact CG1-CZ 3.97Å; V189-F295 HydrophobicContact CG2-CE2 3.85Å; V189-F295 HydrophobicContact CG2-CZ 3.98Å; F268-F295 HydrophobicContact CE2-CE2 4.42Å; F268-F295 HydrophobicContact CE2-CZ 4.12Å; F268-F295 HydrophobicContact CZ-CE2 4.43Å; F268-F295 AromaticContact CZ-CZ 3.91Å; F268-F295 HydrophobicContact CZ-CZ 3.91Å; V279-F295 HydrophobicContact CB-CD1 4.16Å; V279-F295 HydrophobicContact CB-CD2 4.27Å; V279-F295 HydrophobicContact CB-CE1 3.91Å; V279-F295 HydrophobicContact CB-CE2 4.04Å; V279-F295 HydrophobicContact CB-CG 4.34Å; V279-F295 HydrophobicContact CB-CZ 3.84Å; V279-F295 HydrophobicContact CG1-CD1 4.33Å; V279-F295 HydrophobicContact CG1-CE1 3.66Å; V279-F295 HydrophobicContact CG1-CE2 4.32Å; V279-F295 HydrophobicContact CG1-CZ 3.65Å; V279-F295 HydrophobicContact CG2-CD2 4.45Å; V279-F295 HydrophobicContact CG2-CE2 4.08Å; V279-F295 HydrophobicContact CG2-CZ 4.25Å; V279-F295 PolarHBondContact N-O 3.35Å; V279-F295 PolarHBondContact O-N 3.04Å; F295-I297 HydrophobicContact CD2-CD1 4.45Å; F295-I297 HydrophobicContact CD2-CG1 3.91Å; F295-I297 HydrophobicContact CE2-CD1 3.61Å; F295-I297 HydrophobicContact CE2-CG1 3.55Å; F295-I297 HydrophobicContact CZ-CD1 4.36Å
296	E	93.7	Very high	91.4	Very high	64 Å²	64	48.3 Å²	48.3	30%	0.299	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	139.2	-172.7	-63.6	175.4	-169.8	0	0	110.6	T111 L112 I113 L276 L277 M278	T111-E296 PolarHBondContact O-N 2.7Å; L112-E296 HydrophobicContact CB-CB 4.49Å; L112-E296 HydrophobicContact CD1-CB 3.65Å; I113-E296 PolarHBondContact N-O 3.03Å; L276-E296 HydrophobicContact CD1-CB 4.04Å; L277-E296 CarbonylContact O-C 3.56Å; L277-E296 WeakPolarHBondContact O-CA 3.3Å; M278-E296 HydrophobicContact CG-CG 4.28Å
297	I	93.6	Very high	91.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131	174.9	-52.5	177.9	0	0	0	109	I113 P187 F268 L277 V279 F295 V299	I113-I297 CarbonylContact O-C 3.49Å; I113-I297 WeakPolarHBondContact O-CA 3.48Å; P187-I297 HydrophobicContact CG-CG2 4.25Å; F268-I297 HydrophobicContact CD1-CD1 4.22Å; F268-I297 HydrophobicContact CD2-CD1 3.57Å; F268-I297 HydrophobicContact CE1-CD1 4.07Å; F268-I297 HydrophobicContact CE2-CD1 3.42Å; F268-I297 VanDerWaalsContact CE2-CD1 3.42Å; F268-I297 HydrophobicContact CG-CD1 4Å; F268-I297 HydrophobicContact CZ-CD1 3.7Å; L277-I297 PolarHBondContact N-O 3.18Å; L277-I297 PolarHBondContact O-N 3.09Å; V279-I297 HydrophobicContact CG2-CD1 3.78Å; V279-I297 HydrophobicContact CG2-CG1 3.92Å; F295-I297 HydrophobicContact CD2-CD1 4.45Å; F295-I297 HydrophobicContact CD2-CG1 3.91Å; F295-I297 HydrophobicContact CE2-CD1 3.61Å; F295-I297 HydrophobicContact CE2-CG1 3.55Å; F295-I297 HydrophobicContact CZ-CD1 4.36Å; I297-V299 HydrophobicContact CG2-CG2 3.72Å
298	L	93.7	Very high	91.5	Very high	43 Å²	43	48.3 Å²	48.3	23%	0.225	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	113.9	169.5	174.8	64.6	0	0	0	108.3	I113 A114 Y115 V275 L276	I113-L298 PolarHBondContact O-N 3.48Å; A114-L298 VanDerWaalsContact CA-O 3.29Å; A114-L298 WeakPolarHBondContact CA-O 3.48Å; A114-L298 HydrophobicContact CB-CB 4.02Å; A114-L298 HydrophobicContact CB-CD2 4.22Å; Y115-L298 PolarHBondContact N-O 2.76Å; V275-L298 WeakPolarHBondContact O-CD1 3.29Å; L276-L298 HydrophobicContact CD1-CB 4.04Å
299	V	92.7	Very high	91.9	Very high	2 Å²	2	43.9 Å²	43.9	1%	0.012	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	119.1	177.8	-170.9	0	0	0	0	109.4	Y115 P187 P271 R273 H274 I297	Y115-V299 HydrophobicContact CE1-CG2 4.02Å; Y115-V299 HydrophobicContact CE2-CG1 4.2Å; P187-V299 HydrophobicContact CG-CG2 4.25Å; P271-V299 HydrophobicContact CG-CG2 4.31Å; R273-V299 CarbonylContact C-O 3.59Å; R273-V299 VanDerWaalsContact CA-O 3.23Å; R273-V299 WeakPolarHBondContact CA-O 3.47Å; H274-V299 PolarHBondContact N-O 3.31Å; I297-V299 HydrophobicContact CG2-CG2 3.72Å
300	D	87.9	Confident	92.2	Very high	77 Å²	77	42 Å²	42	41%	0.412	23%	0.231	S	C	.	.			trans	-89.4	0	170.4	-68.6	-34.5	0	0	0	112.5	Y115 A116 S117 H274	Y115-D300 PolarHBondContact O-N 3.16Å; A116-D300 HydrophobicContact CB-CB 3.85Å; S117-D300 PolarHBondContact N-O 2.79Å; S117-D300 VanDerWaalsContact N-O 3.1Å; S117-D300 PolarHBondContact OG-O 3.12Å; S117-D300 VanDerWaalsContact OG-O 3.08Å; H274-D300 IonicContact CE1-OD1 3.72Å; H274-D300 PolarHBondContact CE1-OXT 2.85Å; H274-D300 IonicContact CG-OD1 3.93Å; H274-D300 IonicContact ND1-OD1 2.87Å; H274-D300 PolarHBondContact ND1-OD1 3.14Å

Retrieved 300 of 300 residues in 544.1 ms (Link to these results)

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