A0A087XKM4_POEFO Loading...

Lethal(3)malignant brain tumor-like protein 1

AlphaFold DB , UniProt , Accession A0A087XKM4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 600 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	36.4	Very low	29.9	Very low	251 Å²	251	176.6 Å²	176.6	100%	1.236	78%	0.782	S	S	*	*				0	175.3	0	-64.9	171.7	-176.7	0	0	109
2	R	32	Very low	30.4	Very low	233 Å²	233	171.5 Å²	171.5	88%	0.879	78%	0.779	S	S	*	*			trans	-149.7	151.6	-158.7	-152.6	179.2	-169.7	-171	4.3	113.4
3	K	33.1	Very low	30.3	Very low	161 Å²	161	165.8 Å²	165.8	70%	0.7	77%	0.771	S	S	*	*			trans	81.2	148.8	173.5	-61.1	171.3	178.8	173.1	0	114.9
4	R	31.8	Very low	30.5	Very low	205 Å²	205	166.8 Å²	166.8	77%	0.774	78%	0.776	S	S	*	*			cis	-153.4	139.6	-4.8	-107.3	155.2	178.5	169.3	-8.2	107.1
5	K	31.6	Very low	30.3	Very low	201 Å²	201	168.7 Å²	168.7	87%	0.874	79%	0.785	S	S	*	*				53.5	146.3	80.2	-89.1	-161.1	175	-170.6	0	116.3
6	R	28.5	Very low	30.3	Very low	198 Å²	198	168.5 Å²	168.5	75%	0.747	79%	0.791	S	S	*	*			cis	175.8	148.1	-31.5	-168	-159.8	172.4	-174.9	1.8	108.8
7	K	29	Very low	30.3	Very low	121 Å²	121	165.8 Å²	165.8	53%	0.526	80%	0.796	S	S	.	*			trans	72.8	134.2	166.5	-75.5	-137.9	163.8	-144	0	115.8
8	E	27.5	Very low	30.3	Very low	128 Å²	128	165.7 Å²	165.7	60%	0.598	80%	0.8	S	S	*	*			cis	83	117.6	46	-68.3	167.9	-128.9	0	0	114.2
9	Y	22.9	Very low	30.3	Very low	193 Å²	193	167.3 Å²	167.3	76%	0.757	81%	0.809	S	S	*	*				-170.1	-167.4	112	-121.3	-107	0	0	0	113.4
10	L	26.6	Very low	30.2	Very low	145 Å²	145	168.8 Å²	168.8	76%	0.759	81%	0.814	S	S	*	*			trans	-109.5	176.2	-152.4	-74.5	161.5	0	0	0	117.5
11	S	29.4	Very low	30.1	Very low	107 Å²	107	164.1 Å²	164.1	75%	0.748	81%	0.81	S	S	*	*			trans	-62.7	177.7	176.7	-27.9	0	0	0	0	115.6
12	P	36.1	Very low	29.7	Very low	115 Å²	115	159 Å²	159	75%	0.747	79%	0.793	S	S	*	*				-152.5	-172.4	66.8	45.1	-24.3	0	0	0	118.7
13	S	29	Very low	29.6	Very low	97 Å²	97	154.4 Å²	154.4	68%	0.678	79%	0.786	S	S	*	*			trans	-15.3	176.8	161.9	57	0	0	0	0	121.4
14	E	32.4	Very low	29.3	Very low	180 Å²	180	155.8 Å²	155.8	84%	0.841	80%	0.795	S	S	*	*			cis	-124.3	-151.1	20.6	-68.4	162.2	73.5	0	0	111.7
15	E	28.6	Very low	29.2	Very low	195 Å²	195	154.9 Å²	154.9	91%	0.911	80%	0.797	S	S	*	*			cis	-152.1	-174.9	14.3	-63.2	173.3	78.8	0	0	110.8
16	D	29.3	Very low	28.9	Very low	166 Å²	166	153.9 Å²	153.9	89%	0.888	80%	0.797	S	S	*	*			trans	-93.6	165.4	-171.4	-68.9	-55.1	0	0	0	118.2
17	S	30	Very low	28.8	Very low	123 Å²	123	150.7 Å²	150.7	86%	0.86	80%	0.795	S	S	*	*			trans	-172.3	133.1	135.2	46.9	0	0	0	0	115.2
18	D	30.6	Very low	28.8	Very low	164 Å²	164	155 Å²	155	88%	0.877	81%	0.809	S	S	*	*			trans	-90.9	154.3	169.3	-76	-54.1	0	0	0	112.6
19	M	30.3	Very low	28.9	Very low	195 Å²	195	153.3 Å²	153.3	96%	0.961	81%	0.812	S	S	*	*			trans	-156.5	142.9	150.1	-100.1	-161.6	177.3	0	0	113.2
20	E	29.1	Very low	29.2	Very low	198 Å²	198	153.8 Å²	153.8	93%	0.925	82%	0.818	S	S	*	*			trans	-95.2	160.5	170.4	-67.1	-172.5	115.7	0	0	112.6
21	G	27.9	Very low	29.4	Very low	70 Å²	70	151.9 Å²	151.9	72%	0.722	82%	0.823	S	S	*	*			trans	96.6	151.8	163.4	0	0	0	0	0	115.6
22	T	28.9	Very low	29.4	Very low	145 Å²	145	154 Å²	154	89%	0.89	83%	0.826	S	S	*	*			cis	-147.2	168.4	-4.4	40.1	0	0	0	0	111.2
23	D	28	Very low	29	Very low	135 Å²	135	152.1 Å²	152.1	72%	0.722	83%	0.827	S	S	*	*			trans	-51.3	135.3	172.1	-149.7	-13.8	0	0	0	112.9
24	E	28.1	Very low	29.1	Very low	191 Å²	191	157.7 Å²	157.7	89%	0.893	83%	0.833	S	S	*	*			trans	-152.4	126.3	148.1	-138	173.2	-146	0	0	111.6
25	K	29.2	Very low	28.9	Very low	186 Å²	186	155.9 Å²	155.9	81%	0.809	83%	0.828	S	S	*	*			trans	-94.5	139.3	178.2	-70.6	171.6	-179.2	164	0	110.3
26	M	25.9	Very low	28.9	Very low	179 Å²	179	154.7 Å²	154.7	88%	0.882	83%	0.827	S	S	*	*			trans	-127	110.9	158.7	-141.4	178	-164.3	0	0	110.8
27	D	26.5	Very low	29.1	Very low	132 Å²	132	158.1 Å²	158.1	71%	0.706	83%	0.827	S	S	*	*			trans	-88.1	144.7	172.4	179.6	17.2	0	0	0	109.4
28	Y	27.5	Very low	29.1	Very low	210 Å²	210	156.1 Å²	156.1	82%	0.824	83%	0.826	S	S	*	*			trans	-141.3	123.9	170.2	-121	-85	0	0	0	111.3
29	S	29.6	Very low	29	Very low	93 Å²	93	152.3 Å²	152.3	65%	0.65	83%	0.825	S	S	*	*			trans	-88.3	143.8	-163	-82	0	0	0	0	115.5
30	K	30.4	Very low	29	Very low	204 Å²	204	146.5 Å²	146.5	89%	0.887	82%	0.815	S	S	*	*			trans	17.4	129.3	147.5	-66	176.8	178.1	172.8	0	119.5
31	A	29.6	Very low	29.4	Very low	105 Å²	105	144.5 Å²	144.5	87%	0.868	81%	0.811	S	S	*	*			trans	-119	155.4	142.1	0	0	0	0	0	109.8
32	D	29.9	Very low	30	Very low	152 Å²	152	146.2 Å²	146.2	81%	0.813	81%	0.812	S	S	*	*			trans	-92.2	157.1	-173	-171.2	21.6	0	0	0	113
33	G	27.4	Very low	30.7	Very low	74 Å²	74	147.9 Å²	147.9	76%	0.763	81%	0.807	S	S	*	*			trans	-168.7	91.8	-177.2	0	0	0	0	0	112.3
34	R	31.2	Very low	31.8	Very low	215 Å²	215	147.9 Å²	147.9	81%	0.811	81%	0.812	S	S	*	*			trans	-89.5	136.8	-171	-113.6	-178.1	170.3	-179.1	-1.5	114.3
35	L	28.7	Very low	33.7	Very low	141 Å²	141	145.4 Å²	145.4	74%	0.738	80%	0.8	S	S	*	*			trans	64.3	110.2	149.3	-66.1	164.3	0	0	0	119.9
36	I	29.5	Very low	36.3	Very low	170 Å²	170	144.5 Å²	144.5	87%	0.872	80%	0.799	S	S	*	*				-133.3	146.7	120.9	-74.9	-165.4	0	0	0	108.5
37	R	33.8	Very low	39.6	Very low	239 Å²	239	138.4 Å²	138.4	90%	0.902	77%	0.766	S	S	*	*			trans	-89.6	136.5	169.4	-77.3	176.6	165.3	-177.2	-5	110.2
38	G	28.2	Very low	42.9	Very low	81 Å²	81	135 Å²	135	84%	0.835	75%	0.75	S	S	*	*			trans	169.3	139.3	165.1	0	0	0	0	0	112.3
39	G	29.1	Very low	46.2	Very low	83 Å²	83	125.9 Å²	125.9	86%	0.856	71%	0.714	S	S	*	*			trans	99.7	101.3	-176.3	0	0	0	0	0	112.4
40	G	31.5	Very low	49.4	Very low	73 Å²	73	125.9 Å²	125.9	75%	0.753	71%	0.71	S	S	*	*			trans	-89.8	131.6	159.5	0	0	0	0	0	108.1	S42	G40-S42 VanDerWaalsContact C-N 3.32Å; G40-S42 PolarHBondContact O-N 3.2Å
41	D	36.3	Very low	52.6	Low	157 Å²	157	118.6 Å²	118.6	84%	0.84	68%	0.68	S	S	*	*			trans	-63.3	93.8	171.4	-88.3	-32.4	0	0	0	109.7	K43	D41-K43 HydrophobicContact CB-CG 4.42Å; D41-K43 PolarHBondContact O-N 2.87Å
42	S	41.3	Very low	55.8	Low	106 Å²	106	115.1 Å²	115.1	74%	0.741	64%	0.644	S	S	*	*			trans	-68.2	78.8	157.3	58.4	0	0	0	0	107.6	G40 T44	G40-S42 VanDerWaalsContact C-N 3.32Å; G40-S42 PolarHBondContact O-N 3.2Å; S42-T44 PolarHBondContact O-N 3.45Å
43	K	43.6	Very low	59	Low	180 Å²	180	109.6 Å²	109.6	78%	0.783	61%	0.614	S	S	*	*			trans	-54.6	105.4	169.8	-71.2	-172.2	178	-174.7	0	107.8	D41 E45	D41-K43 HydrophobicContact CB-CG 4.42Å; D41-K43 PolarHBondContact O-N 2.87Å; K43-E45 PolarHBondContact O-N 3.1Å
44	T	50.9	Low	62.3	Low	134 Å²	134	112.9 Å²	112.9	82%	0.822	61%	0.61	S	S	*	*			trans	-63.6	104.7	164.4	46.8	0	0	0	0	106.5	S42 Q46	S42-T44 PolarHBondContact O-N 3.45Å; T44-Q46 PolarHBondContact O-N 3.32Å
45	E	67.8	Low	65.4	Low	140 Å²	140	108.1 Å²	108.1	65%	0.654	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-54	117	177.7	-66.9	179	150.2	0	0	109	K43 W47	K43-E45 PolarHBondContact O-N 3.1Å; E45-W47 PolarHBondContact O-N 3.03Å
46	Q	84.1	Confident	68.6	Low	166 Å²	166	104 Å²	104	78%	0.776	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-68.6	117.7	-179.5	-177.7	172.5	-12.3	0	0	107.8	T44 T48	T44-Q46 PolarHBondContact O-N 3.32Å; Q46-T48 PolarHBondContact O-N 3.35Å
47	W	94.4	Very high	71.8	Confident	52 Å²	52	105.1 Å²	105.1	20%	0.197	58%	0.576	C	S	.	*	P	Polyproline II helix	trans	-58.3	137.2	179.3	-178.3	98.1	0	0	0	110.4	E45 W49 Y52 V309 L355 V357	E45-W47 PolarHBondContact O-N 3.03Å; W47-W49 AromaticContact CH2-CD2 3.58Å; W47-W49 HydrophobicContact CH2-CD2 3.58Å; W47-W49 AromaticContact CH2-CE2 3.7Å; W47-W49 HydrophobicContact CH2-CE3 4.01Å; W47-W49 AromaticContact CH2-CG 3.82Å; W47-W49 HydrophobicContact CH2-CG 3.82Å; W47-W49 HydrophobicContact CH2-CZ2 4.23Å; W47-W49 AromaticContact CH2-NE1 3.93Å; W47-W49 HydrophobicContact CZ2-CD2 4.48Å; W47-W49 AromaticContact CZ3-CD1 3.94Å; W47-W49 HydrophobicContact CZ3-CD2 4.27Å; W47-W49 HydrophobicContact CZ3-CG 4.06Å; W47-Y52 AromaticContact CE2-CG 3.96Å; W47-Y52 AromaticContact CZ2-CD1 3.74Å; W47-Y52 HydrophobicContact CZ2-CD1 3.74Å; W47-Y52 HydrophobicContact CZ2-CD2 4.45Å; W47-Y52 AromaticContact CZ2-CG 3.65Å; W47-Y52 HydrophobicContact CZ2-CG 3.65Å; W47-Y52 AromaticContact NE1-CD2 3.75Å; W47-Y52 AromaticContact NE1-CG 3.73Å; W47-V309 HydrophobicContact CH2-CG2 3.53Å; W47-V309 HydrophobicContact CZ2-CG1 4.41Å; W47-V309 HydrophobicContact CZ2-CG2 3.61Å; W47-V309 HydrophobicContact CZ3-CG2 4.4Å; W47-L355 HydrophobicContact CH2-CD2 3.9Å; W47-L355 HydrophobicContact CZ3-CD2 3.59Å; W47-V357 HydrophobicContact CB-CG1 3.96Å; W47-V357 HydrophobicContact CD2-CB 4.28Å; W47-V357 HydrophobicContact CD2-CG1 3.45Å; W47-V357 VanDerWaalsContact CD2-CG1 3.45Å; W47-V357 HydrophobicContact CE3-CG1 3.77Å; W47-V357 HydrophobicContact CG-CB 4.21Å; W47-V357 HydrophobicContact CG-CG1 3.55Å; W47-V357 HydrophobicContact CZ3-CG1 4.48Å
48	T	96.4	Very high	74.8	Confident	59 Å²	59	95 Å²	95	36%	0.362	54%	0.542	S	S	.	.			trans	-134.3	152.5	175.5	62.9	0	0	0	0	110.6	Q46 T50 Q51 Y52	Q46-T48 PolarHBondContact O-N 3.35Å; T48-T50 VanDerWaalsContact C-N 3.31Å; T48-T50 PolarHBondContact O-N 3Å; T48-Q51 PolarHBondContact O-N 2.86Å; T48-Q51 WeakPolarHBondContact OG1-CB 3.3Å; T48-Q51 PolarHBondContact OG1-N 2.78Å; T48-Y52 WeakPolarHBondContact O-CB 3.44Å; T48-Y52 PolarHBondContact O-N 2.85Å
49	W	97.4	Very high	78.2	Confident	19 Å²	19	95.5 Å²	95.5	7%	0.072	53%	0.529	C	S	.	.	H	α-helix	trans	-57.8	-42.6	173	-89.2	113.5	0	0	0	112.5	W47 Q51 Y52 L53 K295 E297 V309 A345 L355	W47-W49 AromaticContact CH2-CD2 3.58Å; W47-W49 HydrophobicContact CH2-CD2 3.58Å; W47-W49 AromaticContact CH2-CE2 3.7Å; W47-W49 HydrophobicContact CH2-CE3 4.01Å; W47-W49 AromaticContact CH2-CG 3.82Å; W47-W49 HydrophobicContact CH2-CG 3.82Å; W47-W49 HydrophobicContact CH2-CZ2 4.23Å; W47-W49 AromaticContact CH2-NE1 3.93Å; W47-W49 HydrophobicContact CZ2-CD2 4.48Å; W47-W49 AromaticContact CZ3-CD1 3.94Å; W47-W49 HydrophobicContact CZ3-CD2 4.27Å; W47-W49 HydrophobicContact CZ3-CG 4.06Å; W49-Q51 PolarHBondContact O-N 3.25Å; W49-Y52 HydrophobicContact CE3-CD1 4.44Å; W49-Y52 HydrophobicContact CZ3-CD1 4.22Å; W49-Y52 PolarHBondContact O-N 2.9Å; W49-L53 HydrophobicContact CE3-CD2 4.38Å; W49-L53 HydrophobicContact CE3-CG 4.24Å; W49-L53 WeakPolarHBondContact O-CB 3.34Å; W49-L53 WeakPolarHBondContact O-CG 3.32Å; W49-L53 PolarHBondContact O-N 3.5Å; W49-K295 HydrophobicContact CH2-CB 4.1Å; W49-K295 HydrophobicContact CZ3-CB 3.75Å; W49-K295 HydrophobicContact CZ3-CD 4.11Å; W49-E297 HydrophobicContact CZ2-CG 3.61Å; W49-E297 PolarHBondContact NE1-OE1 3.44Å; W49-V309 HydrophobicContact CH2-CB 4.32Å; W49-V309 HydrophobicContact CH2-CG1 3.7Å; W49-V309 HydrophobicContact CH2-CG2 4.25Å; W49-V309 HydrophobicContact CZ2-CG1 4.35Å; W49-V309 HydrophobicContact CZ2-CG2 4.07Å; W49-V309 HydrophobicContact CZ3-CG1 4.13Å; W49-A345 HydrophobicContact CD2-CB 3.64Å; W49-A345 HydrophobicContact CE3-CB 4.05Å; W49-A345 HydrophobicContact CG-CB 4Å; W49-A345 HydrophobicContact CH2-CB 4.31Å; W49-A345 HydrophobicContact CZ2-CB 3.95Å; W49-A345 HydrophobicContact CZ3-CB 4.37Å; W49-L355 HydrophobicContact CZ2-CD2 4.37Å
50	T	97.1	Very high	81.5	Confident	93 Å²	93	93 Å²	93	57%	0.571	50%	0.5	S	S	*	.	H	α-helix	trans	-56.8	-53	179.1	-47.9	0	0	0	0	111.7	T48 Y52 L53 E54	T48-T50 VanDerWaalsContact C-N 3.31Å; T48-T50 PolarHBondContact O-N 3Å; T50-Y52 VanDerWaalsContact C-N 3.32Å; T50-Y52 PolarHBondContact O-N 2.88Å; T50-L53 PolarHBondContact O-N 3.41Å; T50-E54 WeakPolarHBondContact O-CG 3.4Å; T50-E54 PolarHBondContact O-N 3.49Å; T50-E54 VanDerWaalsContact O-N 3.1Å
51	Q	95.7	Very high	84.7	Confident	52 Å²	52	89.6 Å²	89.6	24%	0.243	47%	0.465	C	S	.	.	H	α-helix	trans	-59	-44.4	177	176.2	175.2	-2.1	0	0	111.3	T48 W49 L53 E54 E55	T48-Q51 PolarHBondContact O-N 2.86Å; T48-Q51 WeakPolarHBondContact OG1-CB 3.3Å; T48-Q51 PolarHBondContact OG1-N 2.78Å; W49-Q51 PolarHBondContact O-N 3.25Å; Q51-L53 PolarHBondContact O-N 3.22Å; Q51-E54 PolarHBondContact O-N 3.4Å; Q51-E55 HydrophobicContact CG-CG 4.2Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.43Å; Q51-E55 PolarHBondContact NE2-OE1 3.29Å; Q51-E55 WeakPolarHBondContact O-CB 3.43Å; Q51-E55 VanDerWaalsContact O-CG 3.32Å; Q51-E55 WeakPolarHBondContact O-CG 3.21Å; Q51-E55 PolarHBondContact O-N 3.07Å
52	Y	97.1	Very high	87.6	Confident	32 Å²	32	84.7 Å²	84.7	13%	0.125	44%	0.442	C	S	.	.	H	α-helix	trans	-68.5	-36.8	-176.4	-171.5	-115.8	0	0	0	113.3	W47 T48 W49 T50 T56 K295 V309 D325 P358	W47-Y52 AromaticContact CE2-CG 3.96Å; W47-Y52 AromaticContact CZ2-CD1 3.74Å; W47-Y52 HydrophobicContact CZ2-CD1 3.74Å; W47-Y52 HydrophobicContact CZ2-CD2 4.45Å; W47-Y52 AromaticContact CZ2-CG 3.65Å; W47-Y52 HydrophobicContact CZ2-CG 3.65Å; W47-Y52 AromaticContact NE1-CD2 3.75Å; W47-Y52 AromaticContact NE1-CG 3.73Å; T48-Y52 WeakPolarHBondContact O-CB 3.44Å; T48-Y52 PolarHBondContact O-N 2.85Å; W49-Y52 HydrophobicContact CE3-CD1 4.44Å; W49-Y52 HydrophobicContact CZ3-CD1 4.22Å; W49-Y52 PolarHBondContact O-N 2.9Å; T50-Y52 VanDerWaalsContact C-N 3.32Å; T50-Y52 PolarHBondContact O-N 2.88Å; Y52-T56 HydrophobicContact CD2-CG2 4.05Å; Y52-T56 HydrophobicContact CE1-CG2 4.1Å; Y52-T56 HydrophobicContact CE2-CG2 3.5Å; Y52-T56 WeakPolarHBondContact O-CB 3.38Å; Y52-T56 WeakPolarHBondContact O-CG2 3.49Å; Y52-T56 PolarHBondContact O-N 3.45Å; Y52-T56 PolarHBondContact O-OG1 3.47Å; Y52-K295 HydrophobicContact CD1-CD 4.16Å; Y52-K295 HydrophobicContact CE1-CD 3.76Å; Y52-V309 HydrophobicContact CD1-CG1 4.03Å; Y52-V309 HydrophobicContact CE1-CG1 3.58Å; Y52-D325 WeakPolarHBondContact CE1-OD2 3.41Å; Y52-D325 PolarHBondContact OH-OD2 3.16Å; Y52-D325 VanDerWaalsContact OH-OD2 3.11Å; Y52-P358 HydrophobicContact CE1-CG 4.2Å; Y52-P358 HydrophobicContact CE2-CG 4.03Å
53	L	97.8	Very high	90.3	Very high	35 Å²	35	84.6 Å²	84.6	18%	0.183	43%	0.433	C	S	.	.	H	α-helix	trans	-65.6	-40.4	173.9	-68.4	169.2	0	0	0	111.4	W49 T50 Q51 K57 S58 A60 K295	W49-L53 HydrophobicContact CE3-CD2 4.38Å; W49-L53 HydrophobicContact CE3-CG 4.24Å; W49-L53 WeakPolarHBondContact O-CB 3.34Å; W49-L53 WeakPolarHBondContact O-CG 3.32Å; W49-L53 PolarHBondContact O-N 3.5Å; T50-L53 PolarHBondContact O-N 3.41Å; Q51-L53 PolarHBondContact O-N 3.22Å; L53-K57 VanDerWaalsContact O-CA 3.3Å; L53-K57 WeakPolarHBondContact O-CA 3.06Å; L53-K57 PolarHBondContact O-N 3.06Å; L53-S58 WeakPolarHBondContact CD2-OG 3.4Å; L53-S58 PolarHBondContact O-N 2.72Å; L53-A60 HydrophobicContact CD1-CB 4.14Å; L53-A60 HydrophobicContact CD2-CB 4.43Å; L53-K295 HydrophobicContact CD2-CB 4.32Å; L53-K295 HydrophobicContact CD2-CD 4.24Å; L53-K295 HydrophobicContact CD2-CG 4.49Å
54	E	97.4	Very high	92.8	Very high	143 Å²	143	84.8 Å²	84.8	67%	0.668	43%	0.433	S	S	*	.	H	α-helix	trans	-66.3	-48	174.7	-72.3	178.3	-168	0	0	112.2	T50 Q51 T56 K57	T50-E54 WeakPolarHBondContact O-CG 3.4Å; T50-E54 PolarHBondContact O-N 3.49Å; T50-E54 VanDerWaalsContact O-N 3.1Å; Q51-E54 PolarHBondContact O-N 3.4Å; E54-T56 PolarHBondContact O-N 3.43Å; E54-K57 PolarHBondContact O-N 3.26Å
55	E	95.7	Very high	95	Very high	115 Å²	115	79.8 Å²	79.8	54%	0.537	40%	0.402	S	S	.	.	H	α-helix	trans	-59	-44.3	178	-77.5	176.7	178.3	0	0	112.1	Q51	Q51-E55 HydrophobicContact CG-CG 4.2Å; Q51-E55 WeakPolarHBondContact CG-OE1 3.43Å; Q51-E55 PolarHBondContact NE2-OE1 3.29Å; Q51-E55 WeakPolarHBondContact O-CB 3.43Å; Q51-E55 VanDerWaalsContact O-CG 3.32Å; Q51-E55 WeakPolarHBondContact O-CG 3.21Å; Q51-E55 PolarHBondContact O-N 3.07Å
56	T	95.8	Very high	96.5	Very high	55 Å²	55	73.9 Å²	73.9	34%	0.337	37%	0.374	S	S	.	.	H	α-helix	trans	-86.6	-7.5	-179.8	58.4	0	0	0	0	114.1	Y52 E54 S58	Y52-T56 HydrophobicContact CD2-CG2 4.05Å; Y52-T56 HydrophobicContact CE1-CG2 4.1Å; Y52-T56 HydrophobicContact CE2-CG2 3.5Å; Y52-T56 WeakPolarHBondContact O-CB 3.38Å; Y52-T56 WeakPolarHBondContact O-CG2 3.49Å; Y52-T56 PolarHBondContact O-N 3.45Å; Y52-T56 PolarHBondContact O-OG1 3.47Å; E54-T56 PolarHBondContact O-N 3.43Å; T56-S58 PolarHBondContact O-N 2.65Å; T56-S58 PolarHBondContact OG1-OG 3.01Å
57	K	97.3	Very high	96.9	Very high	193 Å²	193	70.3 Å²	70.3	84%	0.839	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.5	39.8	-174.6	-55.2	175.9	-175.3	173.4	0	112.8	L53 E54	L53-K57 VanDerWaalsContact O-CA 3.3Å; L53-K57 WeakPolarHBondContact O-CA 3.06Å; L53-K57 PolarHBondContact O-N 3.06Å; E54-K57 PolarHBondContact O-N 3.26Å
58	S	97.1	Very high	96.8	Very high	27 Å²	27	76.3 Å²	76.3	19%	0.189	39%	0.387	C	S	.	.			trans	-112.7	177.9	-176.3	66	0	0	0	0	111.9	L53 T56 K295	L53-S58 WeakPolarHBondContact CD2-OG 3.4Å; L53-S58 PolarHBondContact O-N 2.72Å; T56-S58 PolarHBondContact O-N 2.65Å; T56-S58 PolarHBondContact OG1-OG 3.01Å; S58-K295 WeakPolarHBondContact OG-CD 3.33Å; S58-K295 WeakPolarHBondContact OG-CE 3.48Å
59	V	97.9	Very high	96.6	Very high	91 Å²	91	75.9 Å²	75.9	55%	0.552	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.4	140.2	178.2	-65	0	0	0	0	110.3	M294 K295	V59-M294 HydrophobicContact CG2-CG 4.36Å; V59-M294 CarbonylContact O-C 3.58Å; V59-M294 WeakPolarHBondContact O-CA 3.44Å; V59-K295 PolarHBondContact O-N 2.88Å
60	A	98.5	Very high	96.6	Very high	31 Å²	31	75 Å²	75	26%	0.256	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	146.7	168.2	0	0	0	0	0	110.3	L53 P62 K295 A345	L53-A60 HydrophobicContact CD1-CB 4.14Å; L53-A60 HydrophobicContact CD2-CB 4.43Å; A60-P62 VanDerWaalsContact O-CD 3.32Å; A60-P62 WeakPolarHBondContact O-CD 3.42Å; A60-K295 CarbonylContact C-O 3.53Å; A60-K295 WeakPolarHBondContact CA-O 3.28Å; A60-A345 HydrophobicContact CB-CB 3.85Å
61	A	98.6	Very high	96.6	Very high	1 Å²	1	72.1 Å²	72.1	1%	0.008	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-59.9	120.9	168	0	0	0	0	0	109.2	N63 F66 F290 M294 K295 L296	A61-N63 PolarHBondContact O-N 2.85Å; A61-F66 HydrophobicContact CB-CE2 3.68Å; A61-F66 HydrophobicContact CB-CZ 3.83Å; A61-F290 HydrophobicContact CB-CD1 4.03Å; A61-F290 HydrophobicContact CB-CE1 3.78Å; A61-M294 HydrophobicContact CB-CB 4.11Å; A61-M294 HydrophobicContact CB-SD 4.28Å; A61-K295 PolarHBondContact N-O 3.06Å; A61-L296 HydrophobicContact CB-CB 4.46Å
62	P	98.1	Very high	96.5	Very high	55 Å²	55	72.7 Å²	72.7	36%	0.357	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-62.6	136.1	-177.8	-26.1	35.6	0	0	0	112.3	A60 K64 L65	A60-P62 VanDerWaalsContact O-CD 3.32Å; A60-P62 WeakPolarHBondContact O-CD 3.42Å; P62-K64 HydrophobicContact CB-CG 4.07Å; P62-K64 PolarHBondContact O-N 2.89Å; P62-L65 WeakPolarHBondContact O-CB 3.4Å; P62-L65 WeakPolarHBondContact O-CG 3.35Å; P62-L65 PolarHBondContact O-N 3.22Å
63	N	96.9	Very high	96.3	Very high	104 Å²	104	72.8 Å²	72.8	56%	0.556	38%	0.381	S	S	*	.	G	3₁₀ helix	trans	-49.3	-32.6	-175.6	-60	18.2	0	0	0	114.1	A61 L65 F66	A61-N63 PolarHBondContact O-N 2.85Å; N63-L65 PolarHBondContact O-N 2.9Å; N63-L65 VanDerWaalsContact O-N 3.08Å; N63-F66 PolarHBondContact O-N 2.85Å
64	K	96.9	Very high	95.9	Very high	183 Å²	183	78 Å²	78	80%	0.796	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-64.1	-4.2	175.5	66.9	165.6	-173.1	173.3	0	115.9	P62	P62-K64 HydrophobicContact CB-CG 4.07Å; P62-K64 PolarHBondContact O-N 2.89Å
65	L	97.7	Very high	95.5	Very high	30 Å²	30	76 Å²	76	16%	0.157	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-90.9	-16.4	173	-61	-172.7	0	0	0	112.7	P62 N63 F290 M294	P62-L65 WeakPolarHBondContact O-CB 3.4Å; P62-L65 WeakPolarHBondContact O-CG 3.35Å; P62-L65 PolarHBondContact O-N 3.22Å; N63-L65 PolarHBondContact O-N 2.9Å; N63-L65 VanDerWaalsContact O-N 3.08Å; L65-F290 HydrophobicContact CB-CD1 4.36Å; L65-F290 HydrophobicContact CB-CD2 4.46Å; L65-F290 HydrophobicContact CB-CE1 3.97Å; L65-F290 HydrophobicContact CB-CE2 4.06Å; L65-F290 HydrophobicContact CB-CZ 3.8Å; L65-F290 HydrophobicContact CD1-CD1 3.89Å; L65-F290 HydrophobicContact CD1-CE1 4.23Å; L65-F290 HydrophobicContact CD1-CG 4.16Å; L65-F290 WeakPolarHBondContact O-CE2 3.32Å; L65-M294 HydrophobicContact CD1-CE 4.23Å; L65-M294 HydrophobicContact CD1-SD 3.76Å
66	F	97.8	Very high	95.3	Very high	16 Å²	16	79.7 Å²	79.7	7%	0.07	43%	0.427	C	S	.	.	S	Bend	trans	-95.2	149	-179.6	-62.1	-93.1	0	0	0	110.5	A61 N63 Q70 F290 L296 H343 P344	A61-F66 HydrophobicContact CB-CE2 3.68Å; A61-F66 HydrophobicContact CB-CZ 3.83Å; N63-F66 PolarHBondContact O-N 2.85Å; F66-Q70 HydrophobicContact CB-CB 4.03Å; F66-Q70 HydrophobicContact CD1-CB 4.16Å; F66-F290 HydrophobicContact CD1-CZ 4.01Å; F66-F290 HydrophobicContact CD2-CZ 4.36Å; F66-F290 AromaticContact CE1-CE1 4Å; F66-F290 HydrophobicContact CE1-CE1 4Å; F66-F290 AromaticContact CE1-CZ 3.84Å; F66-F290 HydrophobicContact CE1-CZ 3.84Å; F66-F290 AromaticContact CE2-CE1 3.98Å; F66-F290 HydrophobicContact CE2-CE1 3.98Å; F66-F290 HydrophobicContact CE2-CZ 4.21Å; F66-F290 HydrophobicContact CG-CZ 4.28Å; F66-F290 AromaticContact CZ-CE1 3.68Å; F66-F290 HydrophobicContact CZ-CE1 3.68Å; F66-F290 AromaticContact CZ-CZ 3.95Å; F66-F290 HydrophobicContact CZ-CZ 3.95Å; F66-L296 HydrophobicContact CZ-CB 4.02Å; F66-H343 WeakPolarHBondContact CZ-O 3.37Å; F66-P344 HydrophobicContact CD2-CB 3.94Å; F66-P344 HydrophobicContact CD2-CG 4.43Å; F66-P344 HydrophobicContact CE2-CB 3.77Å; F66-P344 HydrophobicContact CZ-CB 4.25Å
67	H	94.4	Very high	95.4	Very high	90 Å²	90	78.9 Å²	78.9	42%	0.417	42%	0.42	S	S	.	.			trans	-72.5	164.1	171.2	-72	-115.3	0	0	0	110.8	A69 Q70 S71	H67-A69 VanDerWaalsContact C-N 3.29Å; H67-A69 PolarHBondContact O-N 2.86Å; H67-Q70 HydrophobicContact CB-CG 4.49Å; H67-Q70 PolarHBondContact O-N 2.92Å; H67-Q70 VanDerWaalsContact O-N 3.14Å; H67-S71 PolarHBondContact O-N 3.46Å; H67-S71 VanDerWaalsContact O-N 3.14Å; H67-S71 PolarHBondContact O-OG 3.47Å
68	E	92.2	Very high	95.4	Very high	178 Å²	178	71 Å²	71	83%	0.832	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-58.9	-40.3	179	-174.6	169	-172.2	0	0	111.9	Q70 S71	E68-Q70 VanDerWaalsContact C-N 3.28Å; E68-Q70 PolarHBondContact O-N 3.42Å; E68-S71 WeakPolarHBondContact O-CB 3.29Å; E68-S71 PolarHBondContact O-N 2.73Å
69	A	91.9	Very high	95.5	Very high	51 Å²	51	70.1 Å²	70.1	42%	0.421	39%	0.387	S	S	.	.	G	3₁₀ helix	trans	-65.3	-26.1	178.2	0	0	0	0	0	114.5	H67 N127	H67-A69 VanDerWaalsContact C-N 3.29Å; H67-A69 PolarHBondContact O-N 2.86Å; A69-N127 PolarHBondContact O-ND2 3.43Å; A69-N127 VanDerWaalsContact O-ND2 3.16Å
70	Q	97.6	Very high	95.5	Very high	1 Å²	1	72.5 Å²	72.5	1%	0.005	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-87	-20.4	177	-69.5	172.4	-39.6	0	0	112.9	F66 H67 E68 S337 D338 H339 I342 H343 P344 W347	F66-Q70 HydrophobicContact CB-CB 4.03Å; F66-Q70 HydrophobicContact CD1-CB 4.16Å; H67-Q70 HydrophobicContact CB-CG 4.49Å; H67-Q70 PolarHBondContact O-N 2.92Å; H67-Q70 VanDerWaalsContact O-N 3.14Å; E68-Q70 VanDerWaalsContact C-N 3.28Å; E68-Q70 PolarHBondContact O-N 3.42Å; Q70-S337 PolarHBondContact NE2-O 3.16Å; Q70-D338 PolarHBondContact NE2-O 2.88Å; Q70-H339 WeakPolarHBondContact CG-O 3.36Å; Q70-H339 PolarHBondContact NE2-O 2.8Å; Q70-I342 WeakPolarHBondContact CB-O 3.37Å; Q70-I342 WeakPolarHBondContact CG-O 3.28Å; Q70-I342 VanDerWaalsContact NE2-CG1 3.3Å; Q70-H343 PolarHBondContact O-ND1 2.83Å; Q70-P344 WeakPolarHBondContact O-CD 3.22Å; Q70-W347 PolarHBondContact O-NE1 3.3Å
71	S	95.5	Very high	95.5	Very high	32 Å²	32	78 Å²	78	22%	0.224	41%	0.41	C	S	.	.	S	Bend	trans	-74.2	172.8	-174	-67.1	0	0	0	0	112.2	H67 E68 P73 W347	H67-S71 PolarHBondContact O-N 3.46Å; H67-S71 VanDerWaalsContact O-N 3.14Å; H67-S71 PolarHBondContact O-OG 3.47Å; E68-S71 WeakPolarHBondContact O-CB 3.29Å; E68-S71 PolarHBondContact O-N 2.73Å; S71-P73 WeakPolarHBondContact O-CD 3.44Å; S71-W347 PolarHBondContact O-NE1 3.24Å
72	V	94.4	Very high	95.5	Very high	64 Å²	64	79.7 Å²	79.7	39%	0.388	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-64.7	120.7	172.8	176.9	0	0	0	0	108.9	W347 A350	V72-W347 HydrophobicContact CG2-CB 4.43Å; V72-W347 HydrophobicContact CG2-CG 4.45Å; V72-A350 HydrophobicContact CG1-CB 3.61Å; V72-A350 HydrophobicContact CG2-CB 4Å
73	P	92.6	Very high	95.5	Very high	33 Å²	33	78 Å²	78	21%	0.214	41%	0.414	C	S	.	.	P	Polyproline II helix	trans	-72.9	140.3	-175	30	-35.9	0	0	0	111.7	S71 Y107 T351	S71-P73 WeakPolarHBondContact O-CD 3.44Å; P73-Y107 HydrophobicContact CB-CD1 4.29Å; P73-Y107 HydrophobicContact CB-CD2 4.22Å; P73-Y107 HydrophobicContact CB-CE1 3.8Å; P73-Y107 HydrophobicContact CB-CE2 3.76Å; P73-Y107 HydrophobicContact CB-CG 4.48Å; P73-Y107 HydrophobicContact CG-CD1 3.77Å; P73-Y107 HydrophobicContact CG-CD2 3.55Å; P73-Y107 HydrophobicContact CG-CE1 3.81Å; P73-Y107 HydrophobicContact CG-CE2 3.62Å; P73-Y107 HydrophobicContact CG-CG 3.64Å; P73-T351 HydrophobicContact CG-CG2 4.07Å
74	T	89.7	Confident	95.6	Very high	144 Å²	144	73.7 Å²	73.7	88%	0.883	39%	0.391	S	S	*	.	S	Bend	trans	-78.1	-27.1	175.6	53.8	0	0	0	0	112.7
75	V	89	Confident	95.7	Very high	101 Å²	101	65 Å²	65	61%	0.612	35%	0.353	S	S	*	.	S	Bend	trans	-94.2	135.3	177.3	-176	0	0	0	0	109.3	Y107	V75-Y107 VanDerWaalsContact O-CE2 3.22Å; V75-Y107 WeakPolarHBondContact O-CE2 3.45Å
76	K	92	Very high	95.7	Very high	194 Å²	194	63.6 Å²	63.6	84%	0.843	35%	0.346	S	S	*	.	P	Polyproline II helix	trans	-74.8	149.3	176.7	-65.4	-172.5	178.3	-174.8	0	111.4	G78	K76-G78 PolarHBondContact O-N 2.85Å
77	N	97	Very high	95.7	Very high	37 Å²	37	62.9 Å²	62.9	20%	0.198	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-62.7	116.8	171	-170.4	-4.9	0	0	0	110.4	F79 V104 G106 Y107 L109 A126	N77-F79 PolarHBondContact OD1-N 2.79Å; N77-F79 VanDerWaalsContact OD1-N 3.14Å; N77-V104 WeakPolarHBondContact ND2-CG1 3.38Å; N77-G106 PolarHBondContact ND2-O 3.31Å; N77-Y107 HydrophobicContact CB-CD2 3.82Å; N77-Y107 HydrophobicContact CB-CE2 4.28Å; N77-L109 WeakPolarHBondContact ND2-CD2 3.44Å; N77-A126 HydrophobicContact CB-CB 4.31Å
78	G	97.6	Very high	95.9	Very high	28 Å²	28	59.2 Å²	59.2	29%	0.289	33%	0.326	S	S	.	.			trans	-102.5	-6.2	179	0	0	0	0	0	114.7	K76	K76-G78 PolarHBondContact O-N 2.85Å
79	F	98.5	Very high	96.1	Very high	9 Å²	9	51.6 Å²	51.6	4%	0.039	29%	0.291	C	S	.	.			trans	-68.3	152.9	178.4	-69.5	-90.4	0	0	0	111	N77 L85 V101 L109 A126 I131 A169 L173 F174	N77-F79 PolarHBondContact OD1-N 2.79Å; N77-F79 VanDerWaalsContact OD1-N 3.14Å; F79-L85 HydrophobicContact CD1-CD2 4.18Å; F79-L85 HydrophobicContact CE1-CD2 3.76Å; F79-V101 HydrophobicContact CD1-CG2 4.18Å; F79-L109 HydrophobicContact CB-CD1 4.2Å; F79-L109 HydrophobicContact CB-CD2 3.6Å; F79-L109 HydrophobicContact CD1-CD1 4.09Å; F79-L109 HydrophobicContact CD2-CD1 3.67Å; F79-L109 HydrophobicContact CD2-CD2 4.12Å; F79-L109 HydrophobicContact CE1-CD1 4.36Å; F79-L109 HydrophobicContact CE2-CD1 3.98Å; F79-L109 HydrophobicContact CG-CD1 3.73Å; F79-L109 HydrophobicContact CG-CD2 4.03Å; F79-L109 HydrophobicContact CZ-CD1 4.32Å; F79-A126 HydrophobicContact CD2-CB 4Å; F79-A126 HydrophobicContact CE2-CB 4.15Å; F79-I131 HydrophobicContact CE2-CD1 4.47Å; F79-I131 HydrophobicContact CZ-CD1 3.95Å; F79-A169 HydrophobicContact CD1-CB 3.87Å; F79-A169 HydrophobicContact CE1-CB 3.62Å; F79-L173 HydrophobicContact CB-CD1 4.45Å; F79-L173 HydrophobicContact CD1-CD1 3.9Å; F79-L173 HydrophobicContact CD2-CB 4.23Å; F79-L173 HydrophobicContact CD2-CD1 4.12Å; F79-L173 HydrophobicContact CE1-CB 4.14Å; F79-L173 HydrophobicContact CE1-CD1 4.16Å; F79-L173 HydrophobicContact CE2-CB 3.7Å; F79-L173 HydrophobicContact CE2-CD1 4.36Å; F79-L173 HydrophobicContact CG-CD1 3.88Å; F79-L173 HydrophobicContact CZ-CB 3.65Å; F79-L173 HydrophobicContact CZ-CD1 4.38Å; F79-F174 HydrophobicContact CE1-CE1 4.07Å; F79-F174 HydrophobicContact CE1-CE2 4.3Å; F79-F174 AromaticContact CE1-CZ 3.86Å; F79-F174 HydrophobicContact CE1-CZ 3.86Å; F79-F174 HydrophobicContact CZ-CD1 4.21Å; F79-F174 HydrophobicContact CZ-CE1 4.02Å; F79-F174 HydrophobicContact CZ-CE2 4.42Å; F79-F174 HydrophobicContact CZ-CZ 4.14Å
80	K	98.5	Very high	96.3	Very high	140 Å²	140	52.6 Å²	52.6	61%	0.609	29%	0.293	S	S	*	.			trans	-137.7	147.8	-177.9	-58.1	-178.2	-174	174.4	0	110.2	G82 M83 V101	K80-G82 PolarHBondContact O-N 2.76Å; K80-M83 HydrophobicContact CB-CE 4.05Å; K80-M83 HydrophobicContact CB-CG 4.23Å; K80-M83 HydrophobicContact CB-SD 4.07Å; K80-M83 HydrophobicContact CD-CE 4.1Å; K80-M83 HydrophobicContact CG-CE 3.99Å; K80-M83 HydrophobicContact CG-SD 4.42Å; K80-M83 PolarHBondContact N-SD 3.4Å; K80-M83 VanDerWaalsContact O-CB 3.28Å; K80-M83 WeakPolarHBondContact O-CB 3.39Å; K80-M83 WeakPolarHBondContact O-CG 3.38Å; K80-M83 PolarHBondContact O-N 2.59Å; K80-V101 WeakPolarHBondContact O-CB 3.48Å
81	Q	98.5	Very high	96	Very high	148 Å²	148	58.9 Å²	58.9	69%	0.692	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	134.7	175	-169.7	178.5	42.2	0	0	111	M83 V101 A102	Q81-M83 VanDerWaalsContact C-N 3.32Å; Q81-V101 CarbonylContact C-O 3.52Å; Q81-V101 WeakPolarHBondContact CA-O 3.41Å; Q81-A102 WeakPolarHBondContact CG-O 3.25Å; Q81-A102 PolarHBondContact NE2-O 3.31Å
82	G	98.3	Very high	96	Very high	35 Å²	35	60.1 Å²	60.1	36%	0.361	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-2.4	-176.8	0	0	0	0	0	115.6	K80 V101	K80-G82 PolarHBondContact O-N 2.76Å; G82-V101 PolarHBondContact N-O 3.37Å
83	M	98.8	Very high	96.1	Very high	20 Å²	20	57.8 Å²	57.8	10%	0.099	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	141.3	165.2	-74.9	-178.8	167.5	0	0	110.6	K80 Q81 T100 V101 Q167 A169 P170 L173	K80-M83 HydrophobicContact CB-CE 4.05Å; K80-M83 HydrophobicContact CB-CG 4.23Å; K80-M83 HydrophobicContact CB-SD 4.07Å; K80-M83 HydrophobicContact CD-CE 4.1Å; K80-M83 HydrophobicContact CG-CE 3.99Å; K80-M83 HydrophobicContact CG-SD 4.42Å; K80-M83 PolarHBondContact N-SD 3.4Å; K80-M83 VanDerWaalsContact O-CB 3.28Å; K80-M83 WeakPolarHBondContact O-CB 3.39Å; K80-M83 WeakPolarHBondContact O-CG 3.38Å; K80-M83 PolarHBondContact O-N 2.59Å; Q81-M83 VanDerWaalsContact C-N 3.32Å; M83-T100 WeakPolarHBondContact O-CA 3.22Å; M83-V101 HydrophobicContact CB-CG2 4.17Å; M83-V101 PolarHBondContact O-N 3.42Å; M83-Q167 CarbonylContact C-O 3.58Å; M83-Q167 WeakPolarHBondContact CA-O 3.42Å; M83-A169 HydrophobicContact CB-CB 4.25Å; M83-A169 HydrophobicContact SD-CB 4.24Å; M83-P170 HydrophobicContact CE-CG 4.42Å; M83-L173 HydrophobicContact SD-CD1 4.25Å
84	K	98.7	Very high	96.3	Very high	13 Å²	13	57.8 Å²	57.8	6%	0.057	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	144.8	177.1	-63.2	-172.5	176	-68.9	0	112.7	L99 T100 D114 W157 Y160 L161 T164 A166 Q167 V168 A169	K84-L99 CarbonylContact C-O 3.56Å; K84-L99 VanDerWaalsContact CA-O 3.29Å; K84-L99 WeakPolarHBondContact CA-O 3.46Å; K84-T100 PolarHBondContact NZ-OG1 2.49Å; K84-D114 VanDerWaalsContact NZ-CG 3.27Å; K84-D114 IonicContact NZ-OD1 3.79Å; K84-D114 PolarHBondContact NZ-OD1 3.11Å; K84-D114 VanDerWaalsContact NZ-OD1 3.14Å; K84-D114 IonicContact NZ-OD2 3.58Å; K84-D114 PolarHBondContact NZ-OD2 2.77Å; K84-W157 HydrophobicContact CB-CH2 4.09Å; K84-W157 HydrophobicContact CB-CZ3 3.75Å; K84-W157 HydrophobicContact CD-CZ3 4.43Å; K84-Y160 HydrophobicContact CD-CD1 4.2Å; K84-Y160 HydrophobicContact CD-CE1 3.81Å; K84-L161 HydrophobicContact CD-CD2 4.35Å; K84-T164 WeakPolarHBondContact CE-OG1 3.44Å; K84-A166 HydrophobicContact CD-CB 3.8Å; K84-A166 VanDerWaalsContact CE-CB 3.47Å; K84-A166 HydrophobicContact CG-CB 4.06Å; K84-Q167 PolarHBondContact N-O 2.66Å; K84-V168 CarbonylContact O-C 3.51Å; K84-V168 VanDerWaalsContact O-CA 3.29Å; K84-V168 WeakPolarHBondContact O-CA 3.35Å; K84-A169 PolarHBondContact O-N 3.44Å
85	L	98.6	Very high	96.6	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	178.4	-175.7	58.2	86.4	0	0	0	111.3	F79 L99 V101 L111 I131 A169 F174	F79-L85 HydrophobicContact CD1-CD2 4.18Å; F79-L85 HydrophobicContact CE1-CD2 3.76Å; L85-L99 HydrophobicContact CD1-CB 3.79Å; L85-L99 HydrophobicContact CD1-CD1 3.92Å; L85-L99 HydrophobicContact CD1-CG 4.33Å; L85-L99 HydrophobicContact CG-CB 4.39Å; L85-L99 PolarHBondContact N-O 3.26Å; L85-L99 PolarHBondContact O-N 2.79Å; L85-V101 HydrophobicContact CD2-CG2 3.95Å; L85-L111 HydrophobicContact CD1-CD1 4.42Å; L85-L111 HydrophobicContact CD2-CD2 4.15Å; L85-I131 HydrophobicContact CD1-CB 4.15Å; L85-I131 HydrophobicContact CD1-CG2 3.96Å; L85-A169 HydrophobicContact CB-CB 4.31Å; L85-A169 HydrophobicContact CD2-CB 4.45Å; L85-F174 HydrophobicContact CB-CE1 4.15Å; L85-F174 HydrophobicContact CB-CZ 3.78Å; L85-F174 HydrophobicContact CD2-CE1 4.31Å; L85-F174 HydrophobicContact CD2-CZ 4.3Å
86	E	98.5	Very high	97.1	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.009	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	151.3	171.4	-63.2	175	-171.7	0	0	108.9	F97 I131 H132 G135 W136 C137 L144 W157	E86-F97 WeakPolarHBondContact CA-O 3.5Å; E86-I131 CarbonylContact O-C 3.59Å; E86-I131 WeakPolarHBondContact O-CA 3.42Å; E86-H132 HydrophobicContact CB-CB 4.47Å; E86-H132 PolarHBondContact N-O 2.9Å; E86-H132 PolarHBondContact O-N 2.97Å; E86-H132 VanDerWaalsContact O-O 3.08Å; E86-G135 WeakPolarHBondContact OE1-CA 3.48Å; E86-G135 PolarHBondContact OE1-N 2.72Å; E86-W136 PolarHBondContact OE2-N 2.74Å; E86-W136 VanDerWaalsContact OE2-N 3.15Å; E86-C137 WeakPolarHBondContact OE2-CB 3.3Å; E86-C137 PolarHBondContact OE2-N 2.81Å; E86-C137 PolarHBondContact OE2-SG 3.35Å; E86-L144 HydrophobicContact CB-CD1 4.47Å; E86-L144 HydrophobicContact CG-CD1 3.93Å; E86-L144 HydrophobicContact CG-CD2 4.45Å; E86-W157 HydrophobicContact CG-CZ2 3.64Å; E86-W157 PolarHBondContact OE1-NE1 3.24Å
87	G	97.9	Very high	97.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.7	165	175.6	0	0	0	0	0	112.2	Y96 F97 D130	G87-Y96 CarbonylContact O-C 3.36Å; G87-Y96 WeakPolarHBondContact O-CA 3.34Å; G87-F97 PolarHBondContact N-O 3.18Å; G87-F97 PolarHBondContact O-N 3.08Å; G87-D130 WeakPolarHBondContact CA-O 3.25Å
88	I	97.8	Very high	97.4	Very high	13 Å²	13	38.1 Å²	38.1	7%	0.067	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	159.4	179.4	73.4	-175.9	0	0	0	111.8	P90 P93 M95 Y96 D130	I88-P90 WeakPolarHBondContact O-CD 3.09Å; I88-P93 HydrophobicContact CD1-CB 4.33Å; I88-M95 CarbonylContact C-O 3.5Å; I88-M95 VanDerWaalsContact CA-O 3.3Å; I88-M95 WeakPolarHBondContact CA-O 3.3Å; I88-Y96 HydrophobicContact CG2-CD1 3.82Å; I88-Y96 HydrophobicContact CG2-CE1 3.46Å; I88-Y96 VanDerWaalsContact CG2-CE1 3.46Å; I88-D130 HydrophobicContact CD1-CB 3.79Å; I88-D130 HydrophobicContact CG1-CB 3.96Å; I88-D130 PolarHBondContact N-O 3.43Å; I88-D130 VanDerWaalsContact N-O 3.09Å
89	D	97.5	Very high	97.5	Very high	19 Å²	19	36.8 Å²	36.8	10%	0.102	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	120.3	157.4	-178.2	-6.1	0	0	0	109.9	Q91 H92 P93 M95 F97 F113	D89-Q91 PolarHBondContact O-N 3.06Å; D89-Q91 PolarHBondContact OD1-N 3.43Å; D89-H92 HydrophobicContact CB-CB 4.2Å; D89-H92 CarbonylContact O-C 3.1Å; D89-H92 PolarHBondContact O-N 3.37Å; D89-H92 IonicContact OD2-CE1 3.24Å; D89-H92 IonicContact OD2-CG 3.22Å; D89-H92 IonicContact OD2-ND1 3.85Å; D89-H92 PolarHBondContact OD2-ND1 2.96Å; D89-P93 WeakPolarHBondContact O-CA 3.23Å; D89-M95 PolarHBondContact N-O 2.85Å; D89-F97 HydrophobicContact CB-CD2 4.05Å; D89-F97 HydrophobicContact CB-CE2 3.9Å; D89-F113 HydrophobicContact CB-CE1 3.96Å; D89-F113 HydrophobicContact CB-CZ 3.86Å
90	P	94.6	Very high	97.5	Very high	71 Å²	71	37.3 Å²	37.3	46%	0.461	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-13.1	175.4	-22.8	34	0	0	0	115.2	I88 F122	I88-P90 WeakPolarHBondContact O-CD 3.09Å; P90-F122 HydrophobicContact CG-CB 4.32Å; P90-F122 HydrophobicContact CG-CD1 4.23Å; P90-F122 HydrophobicContact CG-CD2 3.47Å; P90-F122 VanDerWaalsContact CG-CD2 3.47Å; P90-F122 HydrophobicContact CG-CE1 4.37Å; P90-F122 HydrophobicContact CG-CE2 3.62Å; P90-F122 HydrophobicContact CG-CG 3.78Å; P90-F122 HydrophobicContact CG-CZ 4.07Å
91	Q	92.2	Very high	97.5	Very high	133 Å²	133	30.6 Å²	30.6	62%	0.621	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.2	-14	174.7	-58.4	-177.7	30.4	0	0	113.3	D89	D89-Q91 PolarHBondContact O-N 3.06Å; D89-Q91 PolarHBondContact OD1-N 3.43Å
92	H	94.8	Very high	97.5	Very high	58 Å²	58	24.5 Å²	24.5	27%	0.269	14%	0.141	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	76	174.8	-51.7	85.1	0	0	0	108.8	D89 S94 M95 T226	D89-H92 HydrophobicContact CB-CB 4.2Å; D89-H92 CarbonylContact O-C 3.1Å; D89-H92 PolarHBondContact O-N 3.37Å; D89-H92 IonicContact OD2-CE1 3.24Å; D89-H92 IonicContact OD2-CG 3.22Å; D89-H92 IonicContact OD2-ND1 3.85Å; D89-H92 PolarHBondContact OD2-ND1 2.96Å; H92-S94 PolarHBondContact O-N 3.15Å; H92-M95 HydrophobicContact CB-CB 4.17Å; H92-M95 HydrophobicContact CB-CG 3.71Å; H92-M95 HydrophobicContact CB-SD 3.51Å; H92-M95 VanDerWaalsContact CB-SD 3.51Å; H92-M95 WeakPolarHBondContact O-CB 3.04Å; H92-M95 PolarHBondContact O-N 3.49Å; H92-T226 WeakPolarHBondContact CD2-CG2 3.46Å; H92-T226 WeakPolarHBondContact NE2-CG2 3.25Å
93	P	96.9	Very high	97.6	Very high	15 Å²	15	26.1 Å²	26.1	10%	0.097	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-7.7	-164.9	-27.3	40.8	0	0	0	115.9	I88 D89 M95 L217 D228 W230	I88-P93 HydrophobicContact CD1-CB 4.33Å; D89-P93 WeakPolarHBondContact O-CA 3.23Å; P93-M95 VanDerWaalsContact C-N 3.35Å; P93-L217 HydrophobicContact CB-CD1 4.21Å; P93-D228 WeakPolarHBondContact CG-O 3.35Å; P93-W230 PolarHBondContact O-NE1 2.82Å
94	S	96.8	Very high	97.5	Very high	33 Å²	33	27.9 Å²	27.9	23%	0.231	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	-16.3	167.9	59.7	0	0	0	0	114.3	H92 D225	H92-S94 PolarHBondContact O-N 3.15Å; S94-D225 WeakPolarHBondContact CB-OD2 3.48Å; S94-D225 VanDerWaalsContact OG-CG 3.3Å; S94-D225 PolarHBondContact OG-OD2 3.27Å
95	M	97.3	Very high	97.5	Very high	39 Å²	39	28.2 Å²	28.2	19%	0.192	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	116.1	-165.3	-56.2	-172	72.2	0	0	112.5	I88 D89 H92 P93 F97 H145	I88-M95 CarbonylContact C-O 3.5Å; I88-M95 VanDerWaalsContact CA-O 3.3Å; I88-M95 WeakPolarHBondContact CA-O 3.3Å; D89-M95 PolarHBondContact N-O 2.85Å; H92-M95 HydrophobicContact CB-CB 4.17Å; H92-M95 HydrophobicContact CB-CG 3.71Å; H92-M95 HydrophobicContact CB-SD 3.51Å; H92-M95 VanDerWaalsContact CB-SD 3.51Å; H92-M95 WeakPolarHBondContact O-CB 3.04Å; H92-M95 PolarHBondContact O-N 3.49Å; P93-M95 VanDerWaalsContact C-N 3.35Å; M95-F97 HydrophobicContact CB-CD2 4.23Å; M95-F97 HydrophobicContact CB-CE2 3.65Å; M95-F97 HydrophobicContact CE-CE2 4.14Å; M95-F97 HydrophobicContact CE-CZ 3.96Å; M95-F97 HydrophobicContact SD-CE2 4.41Å; M95-H145 WeakPolarHBondContact CE-CE1 3.12Å; M95-H145 WeakPolarHBondContact CE-ND1 3.15Å
96	Y	97.9	Very high	97.5	Very high	4 Å²	4	29.3 Å²	29.3	2%	0.016	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	132.7	174.3	-63.8	-84.5	0	0	0	111.8	G87 I88 H132 W136 H142 H145 W230	G87-Y96 CarbonylContact O-C 3.36Å; G87-Y96 WeakPolarHBondContact O-CA 3.34Å; I88-Y96 HydrophobicContact CG2-CD1 3.82Å; I88-Y96 HydrophobicContact CG2-CE1 3.46Å; I88-Y96 VanDerWaalsContact CG2-CE1 3.46Å; Y96-H132 AromaticContact CE1-CD2 3.74Å; Y96-H132 AromaticContact CE1-NE2 3.72Å; Y96-W136 HydrophobicContact CD1-CE3 4.45Å; Y96-W136 HydrophobicContact CD1-CH2 4.4Å; Y96-W136 AromaticContact CD1-CZ3 3.65Å; Y96-W136 HydrophobicContact CD1-CZ3 3.65Å; Y96-W136 HydrophobicContact CD2-CZ3 4.35Å; Y96-W136 HydrophobicContact CE1-CE3 4.41Å; Y96-W136 AromaticContact CE1-CH2 3.66Å; Y96-W136 HydrophobicContact CE1-CH2 3.66Å; Y96-W136 AromaticContact CE1-CZ3 3.35Å; Y96-W136 HydrophobicContact CE1-CZ3 3.35Å; Y96-W136 HydrophobicContact CE2-CH2 4.25Å; Y96-W136 HydrophobicContact CE2-CZ3 4.1Å; Y96-W136 HydrophobicContact CG-CZ3 4.14Å; Y96-W136 AromaticContact CZ-CH2 3.57Å; Y96-W136 AromaticContact CZ-CZ3 3.6Å; Y96-H142 HydrophobicContact CD2-CB 3.92Å; Y96-H142 HydrophobicContact CE2-CB 3.99Å; Y96-H142 AromaticContact CE2-CD2 3.88Å; Y96-H142 AromaticContact CE2-CG 3.94Å; Y96-H145 WeakPolarHBondContact O-CB 3.48Å; Y96-H145 PolarHBondContact O-N 3.16Å; Y96-W230 WeakPolarHBondContact OH-CZ2 3.05Å
97	F	98.4	Very high	97.5	Very high	17 Å²	17	30.3 Å²	30.3	8%	0.075	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	160.3	-179.1	-76.8	-95.1	0	0	0	112.9	E86 G87 D89 M95 L99 F113 Y116 H145	E86-F97 WeakPolarHBondContact CA-O 3.5Å; G87-F97 PolarHBondContact N-O 3.18Å; G87-F97 PolarHBondContact O-N 3.08Å; D89-F97 HydrophobicContact CB-CD2 4.05Å; D89-F97 HydrophobicContact CB-CE2 3.9Å; M95-F97 HydrophobicContact CB-CD2 4.23Å; M95-F97 HydrophobicContact CB-CE2 3.65Å; M95-F97 HydrophobicContact CE-CE2 4.14Å; M95-F97 HydrophobicContact CE-CZ 3.96Å; M95-F97 HydrophobicContact SD-CE2 4.41Å; F97-L99 HydrophobicContact CB-CD2 4.06Å; F97-F113 HydrophobicContact CB-CD1 3.7Å; F97-F113 HydrophobicContact CB-CE1 3.86Å; F97-F113 AromaticContact CD1-CD1 3.95Å; F97-F113 HydrophobicContact CD1-CD1 3.95Å; F97-F113 HydrophobicContact CD1-CE1 4.36Å; F97-F113 HydrophobicContact CD2-CD1 4.11Å; F97-F113 AromaticContact CD2-CE1 3.69Å; F97-F113 HydrophobicContact CD2-CE1 3.69Å; F97-F113 HydrophobicContact CE2-CE1 4.27Å; F97-F113 AromaticContact CG-CD1 3.67Å; F97-F113 HydrophobicContact CG-CD1 3.67Å; F97-F113 AromaticContact CG-CE1 3.73Å; F97-F113 HydrophobicContact CG-CE1 3.73Å; F97-Y116 HydrophobicContact CE1-CE2 4.48Å; F97-H145 HydrophobicContact CD1-CB 3.57Å; F97-H145 HydrophobicContact CD2-CB 4.4Å; F97-H145 HydrophobicContact CE1-CB 3.57Å; F97-H145 HydrophobicContact CE2-CB 4.41Å; F97-H145 HydrophobicContact CG-CB 4.02Å; F97-H145 HydrophobicContact CZ-CB 4.02Å
98	V	98.4	Very high	97.5	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.018	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	120.6	165.4	178.3	0	0	0	0	109.5	D114 L144 H145 P147 F155 W157 Y160	V98-D114 HydrophobicContact CG1-CB 4.23Å; V98-D114 WeakPolarHBondContact CG1-OD2 3.39Å; V98-D114 PolarHBondContact O-N 3.34Å; V98-D114 VanDerWaalsContact O-N 3.17Å; V98-L144 HydrophobicContact CG2-CD1 3.85Å; V98-L144 HydrophobicContact CG2-CD2 3.79Å; V98-L144 HydrophobicContact CG2-CG 3.94Å; V98-H145 PolarHBondContact N-O 3.34Å; V98-P147 HydrophobicContact CB-CG 3.92Å; V98-P147 HydrophobicContact CG1-CG 3.96Å; V98-P147 HydrophobicContact CG2-CG 4.23Å; V98-F155 HydrophobicContact CG2-CE1 4.33Å; V98-F155 HydrophobicContact CG2-CE2 3.98Å; V98-F155 HydrophobicContact CG2-CZ 3.63Å; V98-W157 HydrophobicContact CG1-CH2 3.75Å; V98-W157 HydrophobicContact CG1-CZ2 4.25Å; V98-W157 HydrophobicContact CG1-CZ3 4.38Å; V98-W157 HydrophobicContact CG2-CH2 4.44Å; V98-W157 HydrophobicContact CG2-CZ2 4.12Å; V98-Y160 HydrophobicContact CG1-CE1 4.17Å
99	L	98.8	Very high	97.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	150.1	-175.6	-53.8	176.9	0	0	0	112	K84 L85 F97 L111 H112 F113 F122	K84-L99 CarbonylContact C-O 3.56Å; K84-L99 VanDerWaalsContact CA-O 3.29Å; K84-L99 WeakPolarHBondContact CA-O 3.46Å; L85-L99 HydrophobicContact CD1-CB 3.79Å; L85-L99 HydrophobicContact CD1-CD1 3.92Å; L85-L99 HydrophobicContact CD1-CG 4.33Å; L85-L99 HydrophobicContact CG-CB 4.39Å; L85-L99 PolarHBondContact N-O 3.26Å; L85-L99 PolarHBondContact O-N 2.79Å; F97-L99 HydrophobicContact CB-CD2 4.06Å; L99-L111 HydrophobicContact CD1-CB 4.33Å; L99-L111 HydrophobicContact CD1-CD1 4.02Å; L99-H112 CarbonylContact C-O 3.49Å; L99-H112 VanDerWaalsContact CA-O 3.26Å; L99-H112 WeakPolarHBondContact CA-O 3.33Å; L99-F113 HydrophobicContact CD2-CB 4.43Å; L99-F113 HydrophobicContact CD2-CD1 3.49Å; L99-F113 VanDerWaalsContact CD2-CD1 3.49Å; L99-F113 HydrophobicContact CD2-CD2 4.48Å; L99-F113 HydrophobicContact CD2-CE1 3.82Å; L99-F113 HydrophobicContact CD2-CG 3.88Å; L99-F113 HydrophobicContact CD2-CZ 4.45Å; L99-F122 HydrophobicContact CD1-CE1 4.12Å; L99-F122 HydrophobicContact CD1-CZ 3.73Å; L99-F122 HydrophobicContact CD2-CE1 4.27Å
100	T	98.8	Very high	97.6	Very high	20 Å²	20	32 Å²	32	12%	0.123	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.6	167.9	-64.9	0	0	0	0	110.8	M83 K84 A102 L111 H112 D114	M83-T100 WeakPolarHBondContact O-CA 3.22Å; K84-T100 PolarHBondContact NZ-OG1 2.49Å; T100-A102 PolarHBondContact O-N 3.45Å; T100-L111 WeakPolarHBondContact O-CA 3.27Å; T100-H112 PolarHBondContact N-O 3.35Å; T100-H112 PolarHBondContact O-N 2.88Å; T100-D114 WeakPolarHBondContact CB-OD1 3.37Å; T100-D114 PolarHBondContact OG1-OD1 2Å
101	V	98.9	Very high	97.8	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	100.5	165.4	-178.5	0	0	0	0	108.7	F79 K80 Q81 G82 M83 L85 V104 R110 L111	F79-V101 HydrophobicContact CD1-CG2 4.18Å; K80-V101 WeakPolarHBondContact O-CB 3.48Å; Q81-V101 CarbonylContact C-O 3.52Å; Q81-V101 WeakPolarHBondContact CA-O 3.41Å; G82-V101 PolarHBondContact N-O 3.37Å; M83-V101 HydrophobicContact CB-CG2 4.17Å; M83-V101 PolarHBondContact O-N 3.42Å; L85-V101 HydrophobicContact CD2-CG2 3.95Å; V101-V104 HydrophobicContact CG1-CG2 3.55Å; V101-R110 CarbonylContact C-O 3.57Å; V101-L111 HydrophobicContact CG2-CD2 3.96Å
102	A	98.6	Very high	98.2	Very high	19 Å²	19	24.4 Å²	24.4	16%	0.157	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	-28.3	-179.7	0	0	0	0	0	112.6	Q81 T100 R110 H112	Q81-A102 WeakPolarHBondContact CG-O 3.25Å; Q81-A102 PolarHBondContact NE2-O 3.31Å; T100-A102 PolarHBondContact O-N 3.45Å; A102-R110 HydrophobicContact CB-CG 4.43Å; A102-R110 PolarHBondContact N-O 3.07Å; A102-H112 HydrophobicContact CB-CB 3.94Å
103	E	98.5	Very high	98.3	Very high	70 Å²	70	22.1 Å²	22.1	33%	0.327	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	154.2	-179.7	-155.4	178.5	142.6	0	0	110.8	L109 R110 W123	E103-L109 WeakPolarHBondContact O-CA 3.3Å; E103-R110 HydrophobicContact CB-CB 3.63Å; E103-R110 PolarHBondContact N-O 3.14Å; E103-R110 PolarHBondContact O-N 2.92Å; E103-R110 IonicContact OE2-CZ 3.53Å; E103-R110 VanDerWaalsContact OE2-CZ 3.25Å; E103-R110 IonicContact OE2-NE 3.44Å; E103-R110 PolarHBondContact OE2-NE 2.95Å; E103-R110 IonicContact OE2-NH2 3.85Å; E103-R110 PolarHBondContact OE2-NH2 2.93Å; E103-W123 HydrophobicContact CB-CH2 4.17Å; E103-W123 HydrophobicContact CG-CH2 4.12Å; E103-W123 WeakPolarHBondContact OE1-CH2 3.33Å
104	V	98.6	Very high	98.4	Very high	56 Å²	56	21.7 Å²	21.7	34%	0.339	12%	0.118	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	122.6	172.5	-178.8	0	0	0	0	108.2	N77 V101 L109	N77-V104 WeakPolarHBondContact ND2-CG1 3.38Å; V101-V104 HydrophobicContact CG1-CG2 3.55Å; V104-L109 HydrophobicContact CG1-CD2 4.32Å; V104-L109 HydrophobicContact CG2-CD2 4.17Å
105	C	98.4	Very high	98.3	Very high	21 Å²	21	22.5 Å²	22.5	14%	0.142	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	105.4	-177.9	-172.1	0	0	0	0	109.4	Y107 R108 W123 H353 P354	C105-Y107 PolarHBondContact O-N 2.88Å; C105-R108 PolarHBondContact N-O 3.32Å; C105-R108 PolarHBondContact O-N 2.87Å; C105-W123 HydrophobicContact CB-CH2 3.74Å; C105-W123 HydrophobicContact CB-CZ3 3.69Å; C105-H353 PolarHBondContact O-CD2 2.87Å; C105-H353 VanDerWaalsContact O-CD2 3.29Å; C105-P354 WeakPolarHBondContact SG-CD 3.47Å
106	G	98	Very high	98.2	Very high	23 Å²	23	24.6 Å²	24.6	24%	0.237	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.4	-121.2	-170.9	0	0	0	0	0	112.1	N77 R108 T351	N77-G106 PolarHBondContact ND2-O 3.31Å; G106-R108 VanDerWaalsContact C-N 3.34Å; G106-T351 CarbonylContact C-O 3.48Å; G106-T351 WeakPolarHBondContact CA-O 3.45Å
107	Y	98.4	Very high	98.1	Very high	22 Å²	22	27.1 Å²	27.1	9%	0.086	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	6.6	175.5	-157.1	-110.9	0	0	0	114.9	P73 V75 N77 C105 N125 A126 N127 W347	P73-Y107 HydrophobicContact CB-CD1 4.29Å; P73-Y107 HydrophobicContact CB-CD2 4.22Å; P73-Y107 HydrophobicContact CB-CE1 3.8Å; P73-Y107 HydrophobicContact CB-CE2 3.76Å; P73-Y107 HydrophobicContact CB-CG 4.48Å; P73-Y107 HydrophobicContact CG-CD1 3.77Å; P73-Y107 HydrophobicContact CG-CD2 3.55Å; P73-Y107 HydrophobicContact CG-CE1 3.81Å; P73-Y107 HydrophobicContact CG-CE2 3.62Å; P73-Y107 HydrophobicContact CG-CG 3.64Å; V75-Y107 VanDerWaalsContact O-CE2 3.22Å; V75-Y107 WeakPolarHBondContact O-CE2 3.45Å; N77-Y107 HydrophobicContact CB-CD2 3.82Å; N77-Y107 HydrophobicContact CB-CE2 4.28Å; C105-Y107 PolarHBondContact O-N 2.88Å; Y107-N125 HydrophobicContact CD1-CB 4.26Å; Y107-A126 HydrophobicContact CD1-CB 4.25Å; Y107-A126 HydrophobicContact CD2-CB 4.21Å; Y107-A126 HydrophobicContact CE1-CB 4.03Å; Y107-A126 HydrophobicContact CE2-CB 3.96Å; Y107-A126 HydrophobicContact CG-CB 4.34Å; Y107-A126 WeakPolarHBondContact O-CB 3.16Å; Y107-A126 PolarHBondContact O-N 3.14Å; Y107-N127 HydrophobicContact CE1-CB 3.93Å; Y107-W347 HydrophobicContact CD1-CZ2 4.23Å
108	R	98.7	Very high	97.9	Very high	1 Å²	1	31.6 Å²	31.6	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	147.9	-174.2	-53.9	-173.3	64.6	-114.9	8.7	111.7	C105 G106 W123 V124 N125 P304 D341 W347	C105-R108 PolarHBondContact N-O 3.32Å; C105-R108 PolarHBondContact O-N 2.87Å; G106-R108 VanDerWaalsContact C-N 3.34Å; R108-W123 HydrophobicContact CB-CE3 3.88Å; R108-W123 HydrophobicContact CB-CZ3 4.11Å; R108-V124 CarbonylContact C-O 3.54Å; R108-V124 WeakPolarHBondContact CA-O 3.17Å; R108-N125 WeakPolarHBondContact CG-OD1 3.31Å; R108-N125 PolarHBondContact NE-OD1 3.34Å; R108-P304 PolarHBondContact NH1-O 2.86Å; R108-P304 PolarHBondContact NH2-O 3.3Å; R108-D341 IonicContact CZ-OD1 2.69Å; R108-D341 IonicContact NE-OD1 3.32Å; R108-D341 IonicContact NH2-OD1 3.76Å; R108-D341 PolarHBondContact NH2-OD1 2.91Å; R108-W347 HydrophobicContact CG-CH2 3.79Å; R108-W347 HydrophobicContact CG-CZ3 4.31Å
109	L	98.6	Very high	97.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136	-177.7	-45.7	179	0	0	0	108.3	N77 F79 E103 V104 L111 W123 V124 A126 I131	N77-L109 WeakPolarHBondContact ND2-CD2 3.44Å; F79-L109 HydrophobicContact CB-CD1 4.2Å; F79-L109 HydrophobicContact CB-CD2 3.6Å; F79-L109 HydrophobicContact CD1-CD1 4.09Å; F79-L109 HydrophobicContact CD2-CD1 3.67Å; F79-L109 HydrophobicContact CD2-CD2 4.12Å; F79-L109 HydrophobicContact CE1-CD1 4.36Å; F79-L109 HydrophobicContact CE2-CD1 3.98Å; F79-L109 HydrophobicContact CG-CD1 3.73Å; F79-L109 HydrophobicContact CG-CD2 4.03Å; F79-L109 HydrophobicContact CZ-CD1 4.32Å; E103-L109 WeakPolarHBondContact O-CA 3.3Å; V104-L109 HydrophobicContact CG1-CD2 4.32Å; V104-L109 HydrophobicContact CG2-CD2 4.17Å; L109-L111 HydrophobicContact CB-CD2 4.18Å; L109-L111 HydrophobicContact CB-CG 4.49Å; L109-W123 VanDerWaalsContact C-CE3 3.43Å; L109-W123 VanDerWaalsContact O-CA 3.27Å; L109-W123 WeakPolarHBondContact O-CA 3.44Å; L109-V124 HydrophobicContact CB-CG2 4.15Å; L109-V124 HydrophobicContact CD1-CG2 4.31Å; L109-V124 HydrophobicContact CG-CG2 4.5Å; L109-V124 PolarHBondContact N-O 2.91Å; L109-V124 PolarHBondContact O-N 3.49Å; L109-A126 HydrophobicContact CD1-CB 4.46Å; L109-A126 HydrophobicContact CD2-CB 4.44Å; L109-A126 HydrophobicContact CG-CB 4.42Å; L109-I131 HydrophobicContact CD1-CD1 4.21Å
110	R	98.8	Very high	97.5	Very high	68 Å²	68	40.5 Å²	40.5	26%	0.257	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	127.2	159.5	-174.1	162.9	49	95.6	-9.4	108.6	V101 A102 E103 D121 F122 W123	V101-R110 CarbonylContact C-O 3.57Å; A102-R110 HydrophobicContact CB-CG 4.43Å; A102-R110 PolarHBondContact N-O 3.07Å; E103-R110 HydrophobicContact CB-CB 3.63Å; E103-R110 PolarHBondContact N-O 3.14Å; E103-R110 PolarHBondContact O-N 2.92Å; E103-R110 IonicContact OE2-CZ 3.53Å; E103-R110 VanDerWaalsContact OE2-CZ 3.25Å; E103-R110 IonicContact OE2-NE 3.44Å; E103-R110 PolarHBondContact OE2-NE 2.95Å; E103-R110 IonicContact OE2-NH2 3.85Å; E103-R110 PolarHBondContact OE2-NH2 2.93Å; R110-D121 HydrophobicContact CG-CB 3.9Å; R110-D121 IonicContact CZ-OD2 2.67Å; R110-D121 IonicContact NH1-OD2 3.44Å; R110-D121 PolarHBondContact NH1-OD2 2.97Å; R110-F122 CarbonylContact C-O 3.48Å; R110-F122 WeakPolarHBondContact CA-O 3.38Å; R110-W123 HydrophobicContact CB-CD2 3.96Å; R110-W123 HydrophobicContact CB-CE3 4.2Å; R110-W123 HydrophobicContact CB-CH2 4.12Å; R110-W123 HydrophobicContact CB-CZ2 3.86Å; R110-W123 HydrophobicContact CB-CZ3 4.27Å; R110-W123 HydrophobicContact CG-CZ2 4.5Å
111	L	98.9	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.7	-178.9	-58.8	-179.9	0	0	0	110.1	L85 L99 T100 V101 L109 D121 F122 V124 I131	L85-L111 HydrophobicContact CD1-CD1 4.42Å; L85-L111 HydrophobicContact CD2-CD2 4.15Å; L99-L111 HydrophobicContact CD1-CB 4.33Å; L99-L111 HydrophobicContact CD1-CD1 4.02Å; T100-L111 WeakPolarHBondContact O-CA 3.27Å; V101-L111 HydrophobicContact CG2-CD2 3.96Å; L109-L111 HydrophobicContact CB-CD2 4.18Å; L109-L111 HydrophobicContact CB-CG 4.49Å; L111-D121 VanDerWaalsContact O-CA 3.24Å; L111-D121 WeakPolarHBondContact O-CA 3.31Å; L111-F122 HydrophobicContact CB-CD1 4.38Å; L111-F122 HydrophobicContact CB-CE1 4.04Å; L111-F122 HydrophobicContact CB-CE2 4.36Å; L111-F122 HydrophobicContact CB-CZ 4.05Å; L111-F122 HydrophobicContact CD1-CE2 3.9Å; L111-F122 HydrophobicContact CD1-CZ 3.95Å; L111-F122 PolarHBondContact N-O 3.31Å; L111-F122 PolarHBondContact O-N 2.75Å; L111-F122 VanDerWaalsContact O-N 3.13Å; L111-V124 HydrophobicContact CD1-CG1 4.42Å; L111-V124 HydrophobicContact CD1-CG2 3.63Å; L111-V124 HydrophobicContact CG-CG2 4.19Å; L111-I131 HydrophobicContact CD1-CG2 3.62Å
112	H	98.8	Very high	97.5	Very high	43 Å²	43	42.3 Å²	42.3	20%	0.199	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	133	-178.3	172.5	71.1	0	0	0	110.7	L99 T100 A102 D114 Y116 D121	L99-H112 CarbonylContact C-O 3.49Å; L99-H112 VanDerWaalsContact CA-O 3.26Å; L99-H112 WeakPolarHBondContact CA-O 3.33Å; T100-H112 PolarHBondContact N-O 3.35Å; T100-H112 PolarHBondContact O-N 2.88Å; A102-H112 HydrophobicContact CB-CB 3.94Å; H112-D114 PolarHBondContact O-N 3Å; H112-Y116 PolarHBondContact CE1-O 3.37Å; H112-D121 WeakPolarHBondContact CA-OD1 3.4Å; H112-D121 WeakPolarHBondContact CB-OD1 3.45Å; H112-D121 IonicContact CE1-OD1 3.33Å; H112-D121 IonicContact CG-OD1 3.67Å; H112-D121 IonicContact ND1-OD1 3.88Å; H112-D121 PolarHBondContact ND1-OD1 2.97Å
113	F	98.6	Very high	97.5	Very high	10 Å²	10	43.1 Å²	43.1	4%	0.044	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	113.5	174.8	-69.4	-88.7	0	0	0	111	D89 F97 L99 G115 Y116 H120 F122	D89-F113 HydrophobicContact CB-CE1 3.96Å; D89-F113 HydrophobicContact CB-CZ 3.86Å; F97-F113 HydrophobicContact CB-CD1 3.7Å; F97-F113 HydrophobicContact CB-CE1 3.86Å; F97-F113 AromaticContact CD1-CD1 3.95Å; F97-F113 HydrophobicContact CD1-CD1 3.95Å; F97-F113 HydrophobicContact CD1-CE1 4.36Å; F97-F113 HydrophobicContact CD2-CD1 4.11Å; F97-F113 AromaticContact CD2-CE1 3.69Å; F97-F113 HydrophobicContact CD2-CE1 3.69Å; F97-F113 HydrophobicContact CE2-CE1 4.27Å; F97-F113 AromaticContact CG-CD1 3.67Å; F97-F113 HydrophobicContact CG-CD1 3.67Å; F97-F113 AromaticContact CG-CE1 3.73Å; F97-F113 HydrophobicContact CG-CE1 3.73Å; L99-F113 HydrophobicContact CD2-CB 4.43Å; L99-F113 HydrophobicContact CD2-CD1 3.49Å; L99-F113 VanDerWaalsContact CD2-CD1 3.49Å; L99-F113 HydrophobicContact CD2-CD2 4.48Å; L99-F113 HydrophobicContact CD2-CE1 3.82Å; L99-F113 HydrophobicContact CD2-CG 3.88Å; L99-F113 HydrophobicContact CD2-CZ 4.45Å; F113-G115 PolarHBondContact O-N 2.92Å; F113-Y116 HydrophobicContact CB-CD2 3.95Å; F113-Y116 HydrophobicContact CB-CG 4.13Å; F113-Y116 WeakPolarHBondContact O-CB 3.31Å; F113-Y116 PolarHBondContact O-N 2.83Å; F113-H120 HydrophobicContact CD2-CB 3.71Å; F113-H120 WeakPolarHBondContact CD2-O 3.35Å; F113-H120 HydrophobicContact CE2-CB 4.08Å; F113-H120 VanDerWaalsContact CE2-O 3.26Å; F113-H120 WeakPolarHBondContact CE2-O 3.41Å; F113-F122 HydrophobicContact CD2-CD1 4.42Å; F113-F122 HydrophobicContact CD2-CE1 4.34Å; F113-F122 HydrophobicContact CE1-CE1 4.39Å; F113-F122 AromaticContact CE2-CD1 3.62Å; F113-F122 HydrophobicContact CE2-CD1 3.62Å; F113-F122 AromaticContact CE2-CE1 3.57Å; F113-F122 HydrophobicContact CE2-CE1 3.57Å; F113-F122 HydrophobicContact CZ-CD1 4.05Å; F113-F122 AromaticContact CZ-CE1 3.6Å; F113-F122 HydrophobicContact CZ-CE1 3.6Å
114	D	97.7	Very high	97.5	Very high	7 Å²	7	40.6 Å²	40.6	4%	0.037	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	112.6	-167.4	-88.2	-4.6	0	0	0	113.8	K84 V98 T100 H112 P147 K148 Y160	K84-D114 VanDerWaalsContact NZ-CG 3.27Å; K84-D114 IonicContact NZ-OD1 3.79Å; K84-D114 PolarHBondContact NZ-OD1 3.11Å; K84-D114 VanDerWaalsContact NZ-OD1 3.14Å; K84-D114 IonicContact NZ-OD2 3.58Å; K84-D114 PolarHBondContact NZ-OD2 2.77Å; V98-D114 HydrophobicContact CG1-CB 4.23Å; V98-D114 WeakPolarHBondContact CG1-OD2 3.39Å; V98-D114 PolarHBondContact O-N 3.34Å; V98-D114 VanDerWaalsContact O-N 3.17Å; T100-D114 WeakPolarHBondContact CB-OD1 3.37Å; T100-D114 PolarHBondContact OG1-OD1 2Å; H112-D114 PolarHBondContact O-N 3Å; D114-P147 HydrophobicContact CB-CB 3.86Å; D114-P147 HydrophobicContact CB-CG 3.84Å; D114-P147 VanDerWaalsContact O-CA 3.22Å; D114-P147 WeakPolarHBondContact O-CA 3.34Å; D114-P147 WeakPolarHBondContact O-CB 3.22Å; D114-K148 PolarHBondContact O-N 3.24Å; D114-Y160 VanDerWaalsContact OD2-CE1 3.29Å; D114-Y160 WeakPolarHBondContact OD2-CE1 3.12Å; D114-Y160 PolarHBondContact OD2-OH 2.93Å; D114-Y160 VanDerWaalsContact OD2-OH 3.09Å
115	G	95.4	Very high	97.5	Very high	49 Å²	49	38.2 Å²	38.2	51%	0.505	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.3	2.1	179	0	0	0	0	0	115	F113 K148	F113-G115 PolarHBondContact O-N 2.92Å; G115-K148 VanDerWaalsContact O-CB 3.31Å; G115-K148 WeakPolarHBondContact O-CB 3.31Å; G115-K148 WeakPolarHBondContact O-CD 3.35Å
116	Y	95.9	Very high	97.5	Very high	83 Å²	83	37.3 Å²	37.3	33%	0.325	21%	0.208	S	C	.	.	S	Bend	trans	-90.8	-173.6	170.4	-66.7	-100	0	0	0	110.2	F97 H112 F113 K148	F97-Y116 HydrophobicContact CE1-CE2 4.48Å; H112-Y116 PolarHBondContact CE1-O 3.37Å; F113-Y116 HydrophobicContact CB-CD2 3.95Å; F113-Y116 HydrophobicContact CB-CG 4.13Å; F113-Y116 WeakPolarHBondContact O-CB 3.31Å; F113-Y116 PolarHBondContact O-N 2.83Å; Y116-K148 HydrophobicContact CD1-CD 4.39Å; Y116-K148 HydrophobicContact CD2-CB 4.02Å; Y116-K148 HydrophobicContact CE2-CB 3.79Å; Y116-K148 HydrophobicContact CG-CB 4.5Å
117	S	95.8	Very high	97.3	Very high	57 Å²	57	37.8 Å²	37.8	40%	0.399	21%	0.205	S	C	.	.			trans	-83	147.1	175.5	-148.8	0	0	0	0	110.9	C119 H120	S117-C119 PolarHBondContact O-N 2.65Å; S117-H120 PolarHBondContact O-CD2 2.89Å; S117-H120 PolarHBondContact O-N 3.34Å
118	D	94.4	Very high	97.2	Very high	111 Å²	111	37.2 Å²	37.2	59%	0.594	20%	0.204	S	C	*	.	G	3₁₀ helix	trans	-50.6	-24.8	165	60.2	-20.6	0	0	0	115.3	H120 D121	D118-H120 PolarHBondContact O-N 3.14Å; D118-D121 WeakPolarHBondContact CA-OD1 3.39Å; D118-D121 VanDerWaalsContact O-CB 3.22Å; D118-D121 WeakPolarHBondContact O-CB 3.47Å; D118-D121 PolarHBondContact O-N 3.14Å
119	C	93.3	Very high	97.1	Very high	101 Å²	101	39.4 Å²	39.4	68%	0.682	22%	0.218	S	C	*	.	G	3₁₀ helix	trans	-68.9	-6.8	174.2	71.9	0	0	0	0	114.5	S117	S117-C119 PolarHBondContact O-N 2.65Å
120	H	95.5	Very high	97	Very high	89 Å²	89	41.3 Å²	41.3	41%	0.412	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-96	-3	168.1	-58.2	-82.1	0	0	0	112.8	F113 S117 D118 F122	F113-H120 HydrophobicContact CD2-CB 3.71Å; F113-H120 WeakPolarHBondContact CD2-O 3.35Å; F113-H120 HydrophobicContact CE2-CB 4.08Å; F113-H120 VanDerWaalsContact CE2-O 3.26Å; F113-H120 WeakPolarHBondContact CE2-O 3.41Å; S117-H120 PolarHBondContact O-CD2 2.89Å; S117-H120 PolarHBondContact O-N 3.34Å; D118-H120 PolarHBondContact O-N 3.14Å; H120-F122 PolarHBondContact O-N 3.19Å
121	D	98.1	Very high	96.9	Very high	30 Å²	30	38.1 Å²	38.1	16%	0.16	22%	0.216	C	C	.	.			trans	-61.9	135.2	179.6	-78.6	25.8	0	0	0	111.3	R110 L111 H112 D118	R110-D121 HydrophobicContact CG-CB 3.9Å; R110-D121 IonicContact CZ-OD2 2.67Å; R110-D121 IonicContact NH1-OD2 3.44Å; R110-D121 PolarHBondContact NH1-OD2 2.97Å; L111-D121 VanDerWaalsContact O-CA 3.24Å; L111-D121 WeakPolarHBondContact O-CA 3.31Å; H112-D121 WeakPolarHBondContact CA-OD1 3.4Å; H112-D121 WeakPolarHBondContact CB-OD1 3.45Å; H112-D121 IonicContact CE1-OD1 3.33Å; H112-D121 IonicContact CG-OD1 3.67Å; H112-D121 IonicContact ND1-OD1 3.88Å; H112-D121 PolarHBondContact ND1-OD1 2.97Å; D118-D121 WeakPolarHBondContact CA-OD1 3.39Å; D118-D121 VanDerWaalsContact O-CB 3.22Å; D118-D121 WeakPolarHBondContact O-CB 3.47Å; D118-D121 PolarHBondContact O-N 3.14Å
122	F	98.6	Very high	96.9	Very high	29 Å²	29	38.2 Å²	38.2	13%	0.127	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	161.7	-179.2	65.6	-81.9	0	0	0	111.6	P90 L99 R110 L111 F113 H120 V124	P90-F122 HydrophobicContact CG-CB 4.32Å; P90-F122 HydrophobicContact CG-CD1 4.23Å; P90-F122 HydrophobicContact CG-CD2 3.47Å; P90-F122 VanDerWaalsContact CG-CD2 3.47Å; P90-F122 HydrophobicContact CG-CE1 4.37Å; P90-F122 HydrophobicContact CG-CE2 3.62Å; P90-F122 HydrophobicContact CG-CG 3.78Å; P90-F122 HydrophobicContact CG-CZ 4.07Å; L99-F122 HydrophobicContact CD1-CE1 4.12Å; L99-F122 HydrophobicContact CD1-CZ 3.73Å; L99-F122 HydrophobicContact CD2-CE1 4.27Å; R110-F122 CarbonylContact C-O 3.48Å; R110-F122 WeakPolarHBondContact CA-O 3.38Å; L111-F122 HydrophobicContact CB-CD1 4.38Å; L111-F122 HydrophobicContact CB-CE1 4.04Å; L111-F122 HydrophobicContact CB-CE2 4.36Å; L111-F122 HydrophobicContact CB-CZ 4.05Å; L111-F122 HydrophobicContact CD1-CE2 3.9Å; L111-F122 HydrophobicContact CD1-CZ 3.95Å; L111-F122 PolarHBondContact N-O 3.31Å; L111-F122 PolarHBondContact O-N 2.75Å; L111-F122 VanDerWaalsContact O-N 3.13Å; F113-F122 HydrophobicContact CD2-CD1 4.42Å; F113-F122 HydrophobicContact CD2-CE1 4.34Å; F113-F122 HydrophobicContact CE1-CE1 4.39Å; F113-F122 AromaticContact CE2-CD1 3.62Å; F113-F122 HydrophobicContact CE2-CD1 3.62Å; F113-F122 AromaticContact CE2-CE1 3.57Å; F113-F122 HydrophobicContact CE2-CE1 3.57Å; F113-F122 HydrophobicContact CZ-CD1 4.05Å; F113-F122 AromaticContact CZ-CE1 3.6Å; F113-F122 HydrophobicContact CZ-CE1 3.6Å; H120-F122 PolarHBondContact O-N 3.19Å; F122-V124 HydrophobicContact CD2-CG1 3.79Å; F122-V124 HydrophobicContact CE2-CG1 3.69Å
123	W	98.8	Very high	96.8	Very high	36 Å²	36	36.8 Å²	36.8	14%	0.136	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	140.6	179.4	-74.7	83.5	0	0	0	111.1	E103 C105 R108 L109 R110 P304	E103-W123 HydrophobicContact CB-CH2 4.17Å; E103-W123 HydrophobicContact CG-CH2 4.12Å; E103-W123 WeakPolarHBondContact OE1-CH2 3.33Å; C105-W123 HydrophobicContact CB-CH2 3.74Å; C105-W123 HydrophobicContact CB-CZ3 3.69Å; R108-W123 HydrophobicContact CB-CE3 3.88Å; R108-W123 HydrophobicContact CB-CZ3 4.11Å; L109-W123 VanDerWaalsContact C-CE3 3.43Å; L109-W123 VanDerWaalsContact O-CA 3.27Å; L109-W123 WeakPolarHBondContact O-CA 3.44Å; R110-W123 HydrophobicContact CB-CD2 3.96Å; R110-W123 HydrophobicContact CB-CE3 4.2Å; R110-W123 HydrophobicContact CB-CH2 4.12Å; R110-W123 HydrophobicContact CB-CZ2 3.86Å; R110-W123 HydrophobicContact CB-CZ3 4.27Å; R110-W123 HydrophobicContact CG-CZ2 4.5Å; W123-P304 HydrophobicContact CB-CB 4.42Å; W123-P304 HydrophobicContact CG-CB 4.38Å
124	V	98.6	Very high	96.8	Very high	17 Å²	17	37.1 Å²	37.1	10%	0.103	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	159.4	171.2	-60.7	0	0	0	0	110.8	R108 L109 L111 F122	R108-V124 CarbonylContact C-O 3.54Å; R108-V124 WeakPolarHBondContact CA-O 3.17Å; L109-V124 HydrophobicContact CB-CG2 4.15Å; L109-V124 HydrophobicContact CD1-CG2 4.31Å; L109-V124 HydrophobicContact CG-CG2 4.5Å; L109-V124 PolarHBondContact N-O 2.91Å; L109-V124 PolarHBondContact O-N 3.49Å; L111-V124 HydrophobicContact CD1-CG1 4.42Å; L111-V124 HydrophobicContact CD1-CG2 3.63Å; L111-V124 HydrophobicContact CG-CG2 4.19Å; F122-V124 HydrophobicContact CD2-CG1 3.79Å; F122-V124 HydrophobicContact CE2-CG1 3.69Å
125	N	98.3	Very high	96.7	Very high	5 Å²	5	37.6 Å²	37.6	3%	0.027	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	151.7	165.6	-61.1	-21.6	0	0	0	110.1	Y107 R108 N127 S128 P340	Y107-N125 HydrophobicContact CD1-CB 4.26Å; R108-N125 WeakPolarHBondContact CG-OD1 3.31Å; R108-N125 PolarHBondContact NE-OD1 3.34Å; N125-N127 WeakPolarHBondContact CB-OD1 3.4Å; N125-N127 PolarHBondContact O-N 2.91Å; N125-N127 VanDerWaalsContact O-N 3.1Å; N125-S128 VanDerWaalsContact O-CB 3.31Å; N125-S128 WeakPolarHBondContact O-CB 3.37Å; N125-S128 PolarHBondContact O-N 2.89Å; N125-P340 PolarHBondContact ND2-O 3.47Å
126	A	97.6	Very high	96.7	Very high	3 Å²	3	35.7 Å²	35.7	3%	0.025	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-11.9	-179.8	0	0	0	0	0	114.3	N77 F79 Y107 L109	N77-A126 HydrophobicContact CB-CB 4.31Å; F79-A126 HydrophobicContact CD2-CB 4Å; F79-A126 HydrophobicContact CE2-CB 4.15Å; Y107-A126 HydrophobicContact CD1-CB 4.25Å; Y107-A126 HydrophobicContact CD2-CB 4.21Å; Y107-A126 HydrophobicContact CE1-CB 4.03Å; Y107-A126 HydrophobicContact CE2-CB 3.96Å; Y107-A126 HydrophobicContact CG-CB 4.34Å; Y107-A126 WeakPolarHBondContact O-CB 3.16Å; Y107-A126 PolarHBondContact O-N 3.14Å; L109-A126 HydrophobicContact CD1-CB 4.46Å; L109-A126 HydrophobicContact CD2-CB 4.44Å; L109-A126 HydrophobicContact CG-CB 4.42Å
127	N	95.2	Very high	96.7	Very high	33 Å²	33	31.8 Å²	31.8	18%	0.176	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	12.3	170.9	64.9	-17.5	0	0	0	113.9	A69 Y107 N125 A175	A69-N127 PolarHBondContact O-ND2 3.43Å; A69-N127 VanDerWaalsContact O-ND2 3.16Å; Y107-N127 HydrophobicContact CE1-CB 3.93Å; N125-N127 WeakPolarHBondContact CB-OD1 3.4Å; N125-N127 PolarHBondContact O-N 2.91Å; N125-N127 VanDerWaalsContact O-N 3.1Å; N127-A175 HydrophobicContact CB-CB 4.12Å; N127-A175 WeakPolarHBondContact O-CB 3.39Å
128	S	96.5	Very high	96.7	Very high	9 Å²	9	37.2 Å²	37.2	6%	0.063	20%	0.204	C	C	.	.			trans	-58.3	134.6	179.7	164.5	0	0	0	0	111.4	N125 D130 I131	N125-S128 VanDerWaalsContact O-CB 3.31Å; N125-S128 WeakPolarHBondContact O-CB 3.37Å; N125-S128 PolarHBondContact O-N 2.89Å; S128-D130 PolarHBondContact O-N 3.01Å; S128-D130 WeakPolarHBondContact OG-CB 3.41Å; S128-D130 PolarHBondContact OG-N 2.91Å; S128-D130 VanDerWaalsContact OG-N 3.08Å; S128-D130 PolarHBondContact OG-OD2 3.48Å; S128-I131 WeakPolarHBondContact O-CG1 3.3Å
129	P	95.2	Very high	96.6	Very high	47 Å²	47	36.2 Å²	36.2	31%	0.305	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	1.3	174	35.7	-37.7	0	0	0	113.1	H132 R215	P129-H132 PolarHBondContact O-CE1 3.4Å; P129-H132 VanDerWaalsContact O-CE1 3.3Å; P129-R215 PolarHBondContact O-NH2 3.24Å
130	D	96.9	Very high	96.7	Very high	40 Å²	40	33.1 Å²	33.1	21%	0.214	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	3.4	-173.1	-46.6	-71.1	0	0	0	112.7	G87 I88 S128 R215	G87-D130 WeakPolarHBondContact CA-O 3.25Å; I88-D130 HydrophobicContact CD1-CB 3.79Å; I88-D130 HydrophobicContact CG1-CB 3.96Å; I88-D130 PolarHBondContact N-O 3.43Å; I88-D130 VanDerWaalsContact N-O 3.09Å; S128-D130 PolarHBondContact O-N 3.01Å; S128-D130 WeakPolarHBondContact OG-CB 3.41Å; S128-D130 PolarHBondContact OG-N 2.91Å; S128-D130 VanDerWaalsContact OG-N 3.08Å; S128-D130 PolarHBondContact OG-OD2 3.48Å; D130-R215 IonicContact OD1-CZ 3.38Å; D130-R215 IonicContact OD1-NH1 2.67Å; D130-R215 PolarHBondContact OD1-NH1 2.96Å; D130-R215 IonicContact OD1-NH2 3.46Å; D130-R215 PolarHBondContact OD1-NH2 3.3Å
131	I	97.9	Very high	96.6	Very high	2 Å²	2	32.1 Å²	32.1	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	143	176.4	54.9	168.3	0	0	0	110.6	F79 L85 E86 L109 L111 S128 F174	F79-I131 HydrophobicContact CE2-CD1 4.47Å; F79-I131 HydrophobicContact CZ-CD1 3.95Å; L85-I131 HydrophobicContact CD1-CB 4.15Å; L85-I131 HydrophobicContact CD1-CG2 3.96Å; E86-I131 CarbonylContact O-C 3.59Å; E86-I131 WeakPolarHBondContact O-CA 3.42Å; L109-I131 HydrophobicContact CD1-CD1 4.21Å; L111-I131 HydrophobicContact CD1-CG2 3.62Å; S128-I131 WeakPolarHBondContact O-CG1 3.3Å; I131-F174 HydrophobicContact CB-CD1 4.36Å; I131-F174 HydrophobicContact CB-CE1 4.12Å; I131-F174 HydrophobicContact CD1-CD1 4.3Å; I131-F174 HydrophobicContact CD1-CE1 4.25Å; I131-F174 HydrophobicContact CG1-CD1 4.07Å; I131-F174 HydrophobicContact CG1-CE1 4.2Å; I131-F174 WeakPolarHBondContact O-CD1 3.36Å
132	H	97.7	Very high	96.5	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	153	-171.9	-53	-53.7	0	0	0	111.4	E86 Y96 P129 W136 F174	E86-H132 HydrophobicContact CB-CB 4.47Å; E86-H132 PolarHBondContact N-O 2.9Å; E86-H132 PolarHBondContact O-N 2.97Å; E86-H132 VanDerWaalsContact O-O 3.08Å; Y96-H132 AromaticContact CE1-CD2 3.74Å; Y96-H132 AromaticContact CE1-NE2 3.72Å; P129-H132 PolarHBondContact O-CE1 3.4Å; P129-H132 VanDerWaalsContact O-CE1 3.3Å; H132-W136 HydrophobicContact CB-CB 3.74Å; H132-W136 HydrophobicContact CB-CD2 3.69Å; H132-W136 HydrophobicContact CB-CE3 3.92Å; H132-W136 HydrophobicContact CB-CG 3.6Å; H132-W136 AromaticContact CD2-CD2 3.69Å; H132-W136 AromaticContact CD2-CE2 3.98Å; H132-W136 AromaticContact CD2-CE3 3.41Å; H132-W136 VanDerWaalsContact CD2-CE3 3.41Å; H132-W136 AromaticContact CD2-CH2 3.75Å; H132-W136 AromaticContact CD2-CZ3 3.46Å; H132-W136 VanDerWaalsContact CD2-CZ3 3.46Å; H132-W136 WeakPolarHBondContact CD2-CZ3 3.44Å; H132-W136 AromaticContact CG-CD2 3.63Å; H132-W136 AromaticContact CG-CE2 3.96Å; H132-W136 AromaticContact CG-CE3 3.79Å; H132-W136 AromaticContact NE2-CH2 3.79Å; H132-W136 AromaticContact NE2-CZ2 3.97Å; H132-W136 AromaticContact NE2-CZ3 3.97Å; H132-F174 WeakPolarHBondContact O-CE1 3.32Å; H132-F174 WeakPolarHBondContact O-CZ 3.46Å
133	P	97.6	Very high	96.4	Very high	14 Å²	14	35.8 Å²	35.8	9%	0.091	21%	0.212	C	C	.	.			trans	-69.4	150.8	178.7	27.2	-34.1	0	0	0	112.2	G135 W136 K171 F174	P133-G135 PolarHBondContact O-N 3.39Å; P133-W136 WeakPolarHBondContact O-CB 3.49Å; P133-W136 PolarHBondContact O-N 3.27Å; P133-K171 HydrophobicContact CB-CB 4.3Å; P133-K171 HydrophobicContact CB-CD 4.02Å; P133-K171 HydrophobicContact CB-CG 3.72Å; P133-K171 HydrophobicContact CG-CB 4.47Å; P133-K171 HydrophobicContact CG-CD 3.99Å; P133-K171 HydrophobicContact CG-CG 4.12Å; P133-F174 HydrophobicContact CB-CD2 3.89Å; P133-F174 HydrophobicContact CB-CE2 3.67Å; P133-F174 HydrophobicContact CB-CZ 4.22Å; P133-F174 HydrophobicContact CG-CD2 4.27Å; P133-F174 HydrophobicContact CG-CE2 4.48Å
134	A	97.2	Very high	96.3	Very high	17 Å²	17	35.3 Å²	35.3	14%	0.14	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	131.1	174.5	0	0	0	0	0	113.2	W157 V168	A134-W157 HydrophobicContact CB-CD2 3.62Å; A134-W157 HydrophobicContact CB-CE3 3.85Å; A134-W157 HydrophobicContact CB-CG 4.16Å; A134-W157 HydrophobicContact CB-CH2 3.97Å; A134-W157 HydrophobicContact CB-CZ2 3.78Å; A134-W157 HydrophobicContact CB-CZ3 4.01Å; A134-V168 HydrophobicContact CB-CB 3.95Å; A134-V168 HydrophobicContact CB-CG1 3.41Å; A134-V168 VanDerWaalsContact CB-CG1 3.41Å
135	G	95.6	Very high	96.2	Very high	17 Å²	17	36.8 Å²	36.8	18%	0.175	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.9	6.3	-174.1	0	0	0	0	0	114.3	E86 P133 S139	E86-G135 WeakPolarHBondContact OE1-CA 3.48Å; E86-G135 PolarHBondContact OE1-N 2.72Å; P133-G135 PolarHBondContact O-N 3.39Å; G135-S139 WeakPolarHBondContact O-CB 3.39Å; G135-S139 PolarHBondContact O-N 3.07Å; G135-S139 VanDerWaalsContact O-N 3.15Å; G135-S139 PolarHBondContact O-OG 3.28Å
136	W	96.6	Very high	95.9	Very high	8 Å²	8	37.8 Å²	37.8	3%	0.03	22%	0.224	C	C	.	.	H	α-helix	trans	-66.7	-48.8	179.3	173.3	83	0	0	0	111.5	E86 Y96 H132 P133 E138 S139 T140 H142 G178 V212	E86-W136 PolarHBondContact OE2-N 2.74Å; E86-W136 VanDerWaalsContact OE2-N 3.15Å; Y96-W136 HydrophobicContact CD1-CE3 4.45Å; Y96-W136 HydrophobicContact CD1-CH2 4.4Å; Y96-W136 AromaticContact CD1-CZ3 3.65Å; Y96-W136 HydrophobicContact CD1-CZ3 3.65Å; Y96-W136 HydrophobicContact CD2-CZ3 4.35Å; Y96-W136 HydrophobicContact CE1-CE3 4.41Å; Y96-W136 AromaticContact CE1-CH2 3.66Å; Y96-W136 HydrophobicContact CE1-CH2 3.66Å; Y96-W136 AromaticContact CE1-CZ3 3.35Å; Y96-W136 HydrophobicContact CE1-CZ3 3.35Å; Y96-W136 HydrophobicContact CE2-CH2 4.25Å; Y96-W136 HydrophobicContact CE2-CZ3 4.1Å; Y96-W136 HydrophobicContact CG-CZ3 4.14Å; Y96-W136 AromaticContact CZ-CH2 3.57Å; Y96-W136 AromaticContact CZ-CZ3 3.6Å; H132-W136 HydrophobicContact CB-CB 3.74Å; H132-W136 HydrophobicContact CB-CD2 3.69Å; H132-W136 HydrophobicContact CB-CE3 3.92Å; H132-W136 HydrophobicContact CB-CG 3.6Å; H132-W136 AromaticContact CD2-CD2 3.69Å; H132-W136 AromaticContact CD2-CE2 3.98Å; H132-W136 AromaticContact CD2-CE3 3.41Å; H132-W136 VanDerWaalsContact CD2-CE3 3.41Å; H132-W136 AromaticContact CD2-CH2 3.75Å; H132-W136 AromaticContact CD2-CZ3 3.46Å; H132-W136 VanDerWaalsContact CD2-CZ3 3.46Å; H132-W136 WeakPolarHBondContact CD2-CZ3 3.44Å; H132-W136 AromaticContact CG-CD2 3.63Å; H132-W136 AromaticContact CG-CE2 3.96Å; H132-W136 AromaticContact CG-CE3 3.79Å; H132-W136 AromaticContact NE2-CH2 3.79Å; H132-W136 AromaticContact NE2-CZ2 3.97Å; H132-W136 AromaticContact NE2-CZ3 3.97Å; P133-W136 WeakPolarHBondContact O-CB 3.49Å; P133-W136 PolarHBondContact O-N 3.27Å; W136-E138 VanDerWaalsContact C-N 3.32Å; W136-E138 PolarHBondContact O-N 2.96Å; W136-S139 WeakPolarHBondContact CA-OG 3.44Å; W136-S139 PolarHBondContact O-N 3.44Å; W136-S139 PolarHBondContact O-OG 3.32Å; W136-T140 HydrophobicContact CD2-CG2 4.36Å; W136-T140 HydrophobicContact CZ2-CG2 4.07Å; W136-T140 PolarHBondContact O-N 3.01Å; W136-T140 PolarHBondContact O-OG1 2.86Å; W136-H142 AromaticContact CH2-CE1 3.26Å; W136-H142 WeakPolarHBondContact CH2-CE1 3.3Å; W136-H142 AromaticContact CH2-CG 3.76Å; W136-H142 AromaticContact CH2-ND1 3.05Å; W136-H142 WeakPolarHBondContact CH2-ND1 3.34Å; W136-H142 AromaticContact CZ2-CE1 3.53Å; W136-H142 AromaticContact CZ2-ND1 3.58Å; W136-H142 HydrophobicContact CZ3-CB 4.17Å; W136-H142 AromaticContact CZ3-CG 3.89Å; W136-H142 AromaticContact CZ3-ND1 3.42Å; W136-H142 WeakPolarHBondContact CZ3-ND1 3.49Å; W136-G178 PolarHBondContact NE1-O 3.29Å; W136-V212 HydrophobicContact CH2-CG1 4.5Å; W136-V212 HydrophobicContact CH2-CG2 3.96Å; W136-V212 HydrophobicContact CZ2-CG1 3.83Å; W136-V212 HydrophobicContact CZ2-CG2 3.83Å
137	C	96.1	Very high	95.8	Very high	1 Å²	1	38 Å²	38	1%	0.007	23%	0.225	C	C	.	.	H	α-helix	trans	-55.3	-46.1	178.1	-67.2	0	0	0	0	111.6	E86 S139 T140 G141 H142 L144	E86-C137 WeakPolarHBondContact OE2-CB 3.3Å; E86-C137 PolarHBondContact OE2-N 2.81Å; E86-C137 PolarHBondContact OE2-SG 3.35Å; C137-S139 VanDerWaalsContact C-N 3.33Å; C137-S139 PolarHBondContact O-N 3.1Å; C137-T140 PolarHBondContact O-N 2.72Å; C137-T140 PolarHBondContact O-OG1 2.87Å; C137-G141 PolarHBondContact O-N 2.81Å; C137-H142 HydrophobicContact CB-CB 4.28Å; C137-H142 PolarHBondContact O-N 2.84Å; C137-H142 VanDerWaalsContact O-N 3.17Å; C137-L144 HydrophobicContact CB-CB 3.89Å
138	E	94.3	Very high	95.6	Very high	172 Å²	172	43 Å²	43	80%	0.804	25%	0.246	S	C	*	.	H	α-helix	trans	-61.7	-39.8	176.7	-177.1	178.1	-163.4	0	0	111.9	W136 T140	W136-E138 VanDerWaalsContact C-N 3.32Å; W136-E138 PolarHBondContact O-N 2.96Å; E138-T140 VanDerWaalsContact C-N 3.33Å; E138-T140 PolarHBondContact O-N 2.84Å
139	S	93.8	Very high	95.1	Very high	89 Å²	89	46.5 Å²	46.5	62%	0.622	28%	0.283	S	S	*	.	H	α-helix	trans	-74.7	-18.9	-179.3	70.9	0	0	0	0	114.8	G135 W136 C137	G135-S139 WeakPolarHBondContact O-CB 3.39Å; G135-S139 PolarHBondContact O-N 3.07Å; G135-S139 VanDerWaalsContact O-N 3.15Å; G135-S139 PolarHBondContact O-OG 3.28Å; W136-S139 WeakPolarHBondContact CA-OG 3.44Å; W136-S139 PolarHBondContact O-N 3.44Å; W136-S139 PolarHBondContact O-OG 3.32Å; C137-S139 VanDerWaalsContact C-N 3.33Å; C137-S139 PolarHBondContact O-N 3.1Å
140	T	93.9	Very high	94.9	Very high	36 Å²	36	45.7 Å²	45.7	22%	0.221	28%	0.279	C	S	.	.	H	α-helix	trans	-109.8	-23	-176.3	45.4	0	0	0	0	113.3	W136 C137 E138 H142 M180	W136-T140 HydrophobicContact CD2-CG2 4.36Å; W136-T140 HydrophobicContact CZ2-CG2 4.07Å; W136-T140 PolarHBondContact O-N 3.01Å; W136-T140 PolarHBondContact O-OG1 2.86Å; C137-T140 PolarHBondContact O-N 2.72Å; C137-T140 PolarHBondContact O-OG1 2.87Å; E138-T140 VanDerWaalsContact C-N 3.33Å; E138-T140 PolarHBondContact O-N 2.84Å; T140-H142 VanDerWaalsContact CB-ND1 3.3Å; T140-H142 WeakPolarHBondContact CB-ND1 3.19Å; T140-H142 PolarHBondContact OG1-ND1 2.82Å; T140-M180 HydrophobicContact CG2-CG 4.21Å; T140-M180 HydrophobicContact CG2-SD 3.79Å
141	G	94.1	Very high	94.4	Very high	69 Å²	69	49 Å²	49	71%	0.711	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	99.9	-0.1	-179.3	0	0	0	0	0	114.7	C137	C137-G141 PolarHBondContact O-N 2.81Å
142	H	95.6	Very high	93.8	Very high	25 Å²	25	53.7 Å²	53.7	12%	0.116	31%	0.313	C	S	.	.			trans	-68.2	155.3	174.6	-55.1	100.6	0	0	0	111.9	Y96 W136 C137 T140 L144 M180 D210	Y96-H142 HydrophobicContact CD2-CB 3.92Å; Y96-H142 HydrophobicContact CE2-CB 3.99Å; Y96-H142 AromaticContact CE2-CD2 3.88Å; Y96-H142 AromaticContact CE2-CG 3.94Å; W136-H142 AromaticContact CH2-CE1 3.26Å; W136-H142 WeakPolarHBondContact CH2-CE1 3.3Å; W136-H142 AromaticContact CH2-CG 3.76Å; W136-H142 AromaticContact CH2-ND1 3.05Å; W136-H142 WeakPolarHBondContact CH2-ND1 3.34Å; W136-H142 AromaticContact CZ2-CE1 3.53Å; W136-H142 AromaticContact CZ2-ND1 3.58Å; W136-H142 HydrophobicContact CZ3-CB 4.17Å; W136-H142 AromaticContact CZ3-CG 3.89Å; W136-H142 AromaticContact CZ3-ND1 3.42Å; W136-H142 WeakPolarHBondContact CZ3-ND1 3.49Å; C137-H142 HydrophobicContact CB-CB 4.28Å; C137-H142 PolarHBondContact O-N 2.84Å; C137-H142 VanDerWaalsContact O-N 3.17Å; T140-H142 VanDerWaalsContact CB-ND1 3.3Å; T140-H142 WeakPolarHBondContact CB-ND1 3.19Å; T140-H142 PolarHBondContact OG1-ND1 2.82Å; H142-L144 PolarHBondContact O-N 2.83Å; H142-M180 WeakPolarHBondContact CE1-CE 3.45Å; H142-M180 WeakPolarHBondContact NE2-CE 3.25Å; H142-D210 IonicContact CD2-OD1 2.65Å; H142-D210 IonicContact CD2-OD2 3.34Å; H142-D210 PolarHBondContact CD2-OD2 3.12Å; H142-D210 IonicContact NE2-OD1 3.14Å; H142-D210 PolarHBondContact NE2-OD1 2.89Å; H142-D210 IonicContact NE2-OD2 3.86Å; H142-D210 PolarHBondContact NE2-OD2 3.31Å
143	K	96.1	Very high	93.3	Very high	110 Å²	110	61.4 Å²	61.4	48%	0.478	35%	0.349	S	S	.	.			trans	-89.1	109.2	179.2	-169.8	-163.7	173.1	-150.1	0	111.1	H145 E152	K143-H145 PolarHBondContact NZ-CE1 2.75Å; K143-H145 PolarHBondContact NZ-NE2 2.69Å; K143-E152 WeakPolarHBondContact CE-OE2 3.38Å; K143-E152 IonicContact NZ-OE2 2.71Å
144	L	96.9	Very high	92.8	Very high	26 Å²	26	66 Å²	66	14%	0.136	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	122.7	169.4	-175	61.4	0	0	0	111	E86 V98 C137 H142 F155	E86-L144 HydrophobicContact CB-CD1 4.47Å; E86-L144 HydrophobicContact CG-CD1 3.93Å; E86-L144 HydrophobicContact CG-CD2 4.45Å; V98-L144 HydrophobicContact CG2-CD1 3.85Å; V98-L144 HydrophobicContact CG2-CD2 3.79Å; V98-L144 HydrophobicContact CG2-CG 3.94Å; C137-L144 HydrophobicContact CB-CB 3.89Å; H142-L144 PolarHBondContact O-N 2.83Å; L144-F155 HydrophobicContact CD2-CD1 4.36Å; L144-F155 HydrophobicContact CD2-CE1 3.7Å; L144-F155 HydrophobicContact CD2-CZ 4.3Å
145	H	96.3	Very high	92.7	Very high	48 Å²	48	66.5 Å²	66.5	22%	0.222	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	121.1	169.3	-82.7	-124.5	0	0	0	110.2	M95 Y96 F97 V98 K143	M95-H145 WeakPolarHBondContact CE-CE1 3.12Å; M95-H145 WeakPolarHBondContact CE-ND1 3.15Å; Y96-H145 WeakPolarHBondContact O-CB 3.48Å; Y96-H145 PolarHBondContact O-N 3.16Å; F97-H145 HydrophobicContact CD1-CB 3.57Å; F97-H145 HydrophobicContact CD2-CB 4.4Å; F97-H145 HydrophobicContact CE1-CB 3.57Å; F97-H145 HydrophobicContact CE2-CB 4.41Å; F97-H145 HydrophobicContact CG-CB 4.02Å; F97-H145 HydrophobicContact CZ-CB 4.02Å; V98-H145 PolarHBondContact N-O 3.34Å; K143-H145 PolarHBondContact NZ-CE1 2.75Å; K143-H145 PolarHBondContact NZ-NE2 2.69Å
146	T	93.8	Very high	92.7	Very high	26 Å²	26	69 Å²	69	16%	0.16	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-78.3	154.8	-172.3	52.3	0	0	0	0	112.8	C150 F155	T146-C150 PolarHBondContact OG1-O 3.45Å; T146-F155 HydrophobicContact CG2-CB 3.46Å; T146-F155 VanDerWaalsContact CG2-CB 3.46Å; T146-F155 HydrophobicContact CG2-CD1 4.18Å; T146-F155 HydrophobicContact CG2-CD2 4.15Å; T146-F155 HydrophobicContact CG2-CG 3.68Å
147	P	93.9	Very high	92.7	Very high	7 Å²	7	69.9 Å²	69.9	5%	0.045	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-51.4	144.3	175.6	-30.9	37.8	0	0	0	113.2	V98 D114 G149 C150 F155 Y160	V98-P147 HydrophobicContact CB-CG 3.92Å; V98-P147 HydrophobicContact CG1-CG 3.96Å; V98-P147 HydrophobicContact CG2-CG 4.23Å; D114-P147 HydrophobicContact CB-CB 3.86Å; D114-P147 HydrophobicContact CB-CG 3.84Å; D114-P147 VanDerWaalsContact O-CA 3.22Å; D114-P147 WeakPolarHBondContact O-CA 3.34Å; D114-P147 WeakPolarHBondContact O-CB 3.22Å; P147-G149 PolarHBondContact O-N 3.2Å; P147-G149 VanDerWaalsContact O-N 3.12Å; P147-C150 HydrophobicContact CB-CB 4.38Å; P147-C150 VanDerWaalsContact O-CB 3.29Å; P147-C150 WeakPolarHBondContact O-CB 3.14Å; P147-C150 PolarHBondContact O-N 2.83Å; P147-F155 HydrophobicContact CG-CD2 4.42Å; P147-F155 HydrophobicContact CG-CE2 4.04Å; P147-Y160 HydrophobicContact CB-CE2 4.02Å; P147-Y160 HydrophobicContact CG-CD2 4.35Å; P147-Y160 HydrophobicContact CG-CE1 4.01Å; P147-Y160 HydrophobicContact CG-CE2 3.7Å
148	K	91.4	Very high	92.7	Very high	139 Å²	139	74.4 Å²	74.4	60%	0.604	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	119.2	-173.1	-165.5	-177.3	-173.1	174.6	0	111.9	D114 G115 Y116	D114-K148 PolarHBondContact O-N 3.24Å; G115-K148 VanDerWaalsContact O-CB 3.31Å; G115-K148 WeakPolarHBondContact O-CB 3.31Å; G115-K148 WeakPolarHBondContact O-CD 3.35Å; Y116-K148 HydrophobicContact CD1-CD 4.39Å; Y116-K148 HydrophobicContact CD2-CB 4.02Å; Y116-K148 HydrophobicContact CE2-CB 3.79Å; Y116-K148 HydrophobicContact CG-CB 4.5Å
149	G	87.4	Confident	92.7	Very high	83 Å²	83	70.2 Å²	70.2	86%	0.856	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.4	-5.3	-178.6	0	0	0	0	0	115.4	P147	P147-G149 PolarHBondContact O-N 3.2Å; P147-G149 VanDerWaalsContact O-N 3.12Å
150	C	89.8	Confident	92.8	Very high	30 Å²	30	67.1 Å²	67.1	20%	0.203	37%	0.369	C	S	.	.			trans	-90.1	126.1	167.6	-168.6	0	0	0	0	109.7	T146 P147	T146-C150 PolarHBondContact OG1-O 3.45Å; P147-C150 HydrophobicContact CB-CB 4.38Å; P147-C150 VanDerWaalsContact O-CB 3.29Å; P147-C150 WeakPolarHBondContact O-CB 3.14Å; P147-C150 PolarHBondContact O-N 2.83Å
151	K	86.8	Confident	92.9	Very high	109 Å²	109	67.1 Å²	67.1	47%	0.474	37%	0.368	S	S	.	.			trans	-73.9	148.8	179.1	-54.8	-171.7	-157.5	74.4	0	111.3	E153 E154 F155	K151-E153 PolarHBondContact O-N 3.45Å; K151-E154 HydrophobicContact CB-CB 4.2Å; K151-E154 HydrophobicContact CB-CG 4.13Å; K151-E154 WeakPolarHBondContact CG-OE2 3.07Å; K151-E154 IonicContact NZ-OE1 2.66Å; K151-E154 PolarHBondContact NZ-OE1 3.37Å; K151-E154 IonicContact NZ-OE2 3.12Å; K151-E154 PolarHBondContact NZ-OE2 2.87Å; K151-E154 PolarHBondContact O-N 3.35Å; K151-F155 PolarHBondContact O-N 3.3Å; K151-F155 VanDerWaalsContact O-N 3.1Å
152	E	85.1	Confident	93	Very high	101 Å²	101	72.3 Å²	72.3	47%	0.472	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-39.1	178	-161.1	178	117	0	0	111.4	K143 E154	K143-E152 WeakPolarHBondContact CE-OE2 3.38Å; K143-E152 IonicContact NZ-OE2 2.71Å; E152-E154 VanDerWaalsContact C-N 3.34Å; E152-E154 PolarHBondContact O-N 2.84Å
153	E	87.1	Confident	92.9	Very high	163 Å²	163	77.4 Å²	77.4	76%	0.762	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-11	-179.8	-47.8	89.7	159.9	0	0	114.5	K151	K151-E153 PolarHBondContact O-N 3.45Å
154	E	87.4	Confident	92.8	Very high	111 Å²	111	74.7 Å²	74.7	52%	0.519	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	-18	-178.3	-68.2	173.5	169.4	0	0	112.3	K151 E152	K151-E154 HydrophobicContact CB-CB 4.2Å; K151-E154 HydrophobicContact CB-CG 4.13Å; K151-E154 WeakPolarHBondContact CG-OE2 3.07Å; K151-E154 IonicContact NZ-OE1 2.66Å; K151-E154 PolarHBondContact NZ-OE1 3.37Å; K151-E154 IonicContact NZ-OE2 3.12Å; K151-E154 PolarHBondContact NZ-OE2 2.87Å; K151-E154 PolarHBondContact O-N 3.35Å; E152-E154 VanDerWaalsContact C-N 3.34Å; E152-E154 PolarHBondContact O-N 2.84Å
155	F	94.9	Very high	92.8	Very high	27 Å²	27	82.8 Å²	82.8	12%	0.118	42%	0.418	C	S	.	.			trans	-74.9	125.1	179	-174.6	-90.7	0	0	0	111.8	V98 L144 T146 P147 K151 W157 Y160	V98-F155 HydrophobicContact CG2-CE1 4.33Å; V98-F155 HydrophobicContact CG2-CE2 3.98Å; V98-F155 HydrophobicContact CG2-CZ 3.63Å; L144-F155 HydrophobicContact CD2-CD1 4.36Å; L144-F155 HydrophobicContact CD2-CE1 3.7Å; L144-F155 HydrophobicContact CD2-CZ 4.3Å; T146-F155 HydrophobicContact CG2-CB 3.46Å; T146-F155 VanDerWaalsContact CG2-CB 3.46Å; T146-F155 HydrophobicContact CG2-CD1 4.18Å; T146-F155 HydrophobicContact CG2-CD2 4.15Å; T146-F155 HydrophobicContact CG2-CG 3.68Å; P147-F155 HydrophobicContact CG-CD2 4.42Å; P147-F155 HydrophobicContact CG-CE2 4.04Å; K151-F155 PolarHBondContact O-N 3.3Å; K151-F155 VanDerWaalsContact O-N 3.1Å; F155-W157 HydrophobicContact CE1-CD2 4.32Å; F155-W157 HydrophobicContact CE1-CG 4.24Å; F155-W157 AromaticContact CE1-NE1 3.95Å; F155-W157 HydrophobicContact CZ-CD2 4.03Å; F155-W157 AromaticContact CZ-CE2 3.97Å; F155-W157 HydrophobicContact CZ-CE3 4.44Å; F155-W157 HydrophobicContact CZ-CG 4.36Å; F155-W157 HydrophobicContact CZ-CZ2 4.35Å; F155-Y160 HydrophobicContact CD2-CD2 4.19Å; F155-Y160 HydrophobicContact CD2-CG 4.15Å; F155-Y160 AromaticContact CE2-CD1 3.82Å; F155-Y160 HydrophobicContact CE2-CD1 3.82Å; F155-Y160 AromaticContact CE2-CD2 3.91Å; F155-Y160 HydrophobicContact CE2-CD2 3.91Å; F155-Y160 AromaticContact CE2-CG 3.5Å; F155-Y160 HydrophobicContact CE2-CG 3.5Å; F155-Y160 VanDerWaalsContact CE2-CG 3.5Å; F155-Y160 HydrophobicContact CZ-CD1 4.4Å; F155-Y160 HydrophobicContact CZ-CG 4.33Å
156	T	95.7	Very high	92.9	Very high	68 Å²	68	81.7 Å²	81.7	42%	0.417	42%	0.417	S	S	.	.			trans	-141.2	142.9	157.6	54.1	0	0	0	0	107.7	T158 N159 Y160	T156-T158 PolarHBondContact O-N 3.01Å; T156-N159 PolarHBondContact O-N 3.32Å; T156-N159 WeakPolarHBondContact OG1-CB 3.38Å; T156-N159 PolarHBondContact OG1-N 3.34Å; T156-N159 PolarHBondContact OG1-ND2 3.46Å; T156-Y160 WeakPolarHBondContact O-CB 3.46Å; T156-Y160 PolarHBondContact O-N 2.65Å
157	W	96.7	Very high	93	Very high	28 Å²	28	87.6 Å²	87.6	11%	0.106	44%	0.443	C	S	.	.	H	α-helix	trans	-51.5	-44.6	178.4	-82.8	108.8	0	0	0	112.4	K84 E86 V98 A134 F155 N159 Y160 L161 V168	K84-W157 HydrophobicContact CB-CH2 4.09Å; K84-W157 HydrophobicContact CB-CZ3 3.75Å; K84-W157 HydrophobicContact CD-CZ3 4.43Å; E86-W157 HydrophobicContact CG-CZ2 3.64Å; E86-W157 PolarHBondContact OE1-NE1 3.24Å; V98-W157 HydrophobicContact CG1-CH2 3.75Å; V98-W157 HydrophobicContact CG1-CZ2 4.25Å; V98-W157 HydrophobicContact CG1-CZ3 4.38Å; V98-W157 HydrophobicContact CG2-CH2 4.44Å; V98-W157 HydrophobicContact CG2-CZ2 4.12Å; A134-W157 HydrophobicContact CB-CD2 3.62Å; A134-W157 HydrophobicContact CB-CE3 3.85Å; A134-W157 HydrophobicContact CB-CG 4.16Å; A134-W157 HydrophobicContact CB-CH2 3.97Å; A134-W157 HydrophobicContact CB-CZ2 3.78Å; A134-W157 HydrophobicContact CB-CZ3 4.01Å; F155-W157 HydrophobicContact CE1-CD2 4.32Å; F155-W157 HydrophobicContact CE1-CG 4.24Å; F155-W157 AromaticContact CE1-NE1 3.95Å; F155-W157 HydrophobicContact CZ-CD2 4.03Å; F155-W157 AromaticContact CZ-CE2 3.97Å; F155-W157 HydrophobicContact CZ-CE3 4.44Å; F155-W157 HydrophobicContact CZ-CG 4.36Å; F155-W157 HydrophobicContact CZ-CZ2 4.35Å; W157-N159 VanDerWaalsContact C-N 3.33Å; W157-N159 PolarHBondContact O-N 3.49Å; W157-Y160 PolarHBondContact O-N 3.32Å; W157-L161 HydrophobicContact CB-CD1 4.43Å; W157-L161 HydrophobicContact CE3-CD1 4.23Å; W157-L161 HydrophobicContact CE3-CD2 4.24Å; W157-L161 HydrophobicContact CE3-CG 4.09Å; W157-L161 HydrophobicContact CZ3-CD2 4.36Å; W157-L161 WeakPolarHBondContact O-CB 3.45Å; W157-L161 WeakPolarHBondContact O-CD1 3.41Å; W157-L161 WeakPolarHBondContact O-CG 3.35Å; W157-L161 PolarHBondContact O-N 3.49Å; W157-V168 HydrophobicContact CE3-CG1 4.14Å; W157-V168 HydrophobicContact CZ3-CG1 4.29Å
158	T	96.3	Very high	93.2	Very high	96 Å²	96	89.7 Å²	89.7	59%	0.589	46%	0.456	S	S	*	.	H	α-helix	trans	-57.7	-36.9	177.4	-56.6	0	0	0	0	114.4	T156 R162	T156-T158 PolarHBondContact O-N 3.01Å; T158-R162 WeakPolarHBondContact O-CB 3.36Å
159	N	94.1	Very high	93.5	Very high	84 Å²	84	83.1 Å²	83.1	45%	0.449	43%	0.427	S	S	.	.	H	α-helix	trans	-83.2	-39.6	176.4	-72.2	-15.7	0	0	0	111.4	T156 W157 R162 M163	T156-N159 PolarHBondContact O-N 3.32Å; T156-N159 WeakPolarHBondContact OG1-CB 3.38Å; T156-N159 PolarHBondContact OG1-N 3.34Å; T156-N159 PolarHBondContact OG1-ND2 3.46Å; W157-N159 VanDerWaalsContact C-N 3.33Å; W157-N159 PolarHBondContact O-N 3.49Å; N159-R162 WeakPolarHBondContact O-CB 3.37Å; N159-R162 PolarHBondContact O-N 2.89Å; N159-M163 WeakPolarHBondContact O-CB 3.45Å; N159-M163 PolarHBondContact O-N 3.46Å
160	Y	96.1	Very high	94	Very high	23 Å²	23	81.3 Å²	81.3	9%	0.09	40%	0.401	C	S	.	.	H	α-helix	trans	-66.7	-42.8	-176.7	-169.8	-107	0	0	0	112.5	K84 V98 D114 P147 F155 T156 W157 R162 M163 T164	K84-Y160 HydrophobicContact CD-CD1 4.2Å; K84-Y160 HydrophobicContact CD-CE1 3.81Å; V98-Y160 HydrophobicContact CG1-CE1 4.17Å; D114-Y160 VanDerWaalsContact OD2-CE1 3.29Å; D114-Y160 WeakPolarHBondContact OD2-CE1 3.12Å; D114-Y160 PolarHBondContact OD2-OH 2.93Å; D114-Y160 VanDerWaalsContact OD2-OH 3.09Å; P147-Y160 HydrophobicContact CB-CE2 4.02Å; P147-Y160 HydrophobicContact CG-CD2 4.35Å; P147-Y160 HydrophobicContact CG-CE1 4.01Å; P147-Y160 HydrophobicContact CG-CE2 3.7Å; F155-Y160 HydrophobicContact CD2-CD2 4.19Å; F155-Y160 HydrophobicContact CD2-CG 4.15Å; F155-Y160 AromaticContact CE2-CD1 3.82Å; F155-Y160 HydrophobicContact CE2-CD1 3.82Å; F155-Y160 AromaticContact CE2-CD2 3.91Å; F155-Y160 HydrophobicContact CE2-CD2 3.91Å; F155-Y160 AromaticContact CE2-CG 3.5Å; F155-Y160 HydrophobicContact CE2-CG 3.5Å; F155-Y160 VanDerWaalsContact CE2-CG 3.5Å; F155-Y160 HydrophobicContact CZ-CD1 4.4Å; F155-Y160 HydrophobicContact CZ-CG 4.33Å; T156-Y160 WeakPolarHBondContact O-CB 3.46Å; T156-Y160 PolarHBondContact O-N 2.65Å; W157-Y160 PolarHBondContact O-N 3.32Å; Y160-R162 VanDerWaalsContact C-N 3.33Å; Y160-R162 PolarHBondContact O-N 3.4Å; Y160-M163 HydrophobicContact CD2-CE 3.62Å; Y160-M163 HydrophobicContact CE2-CE 3.7Å; Y160-M163 PolarHBondContact O-N 3.18Å; Y160-T164 HydrophobicContact CD1-CG2 4.35Å; Y160-T164 HydrophobicContact CD2-CG2 4.45Å; Y160-T164 HydrophobicContact CE1-CG2 3.82Å; Y160-T164 HydrophobicContact CE2-CG2 3.92Å; Y160-T164 WeakPolarHBondContact O-CB 3.34Å; Y160-T164 WeakPolarHBondContact O-CG2 3.33Å; Y160-T164 PolarHBondContact O-N 3.46Å; Y160-T164 PolarHBondContact O-OG1 2.79Å
161	L	96.1	Very high	94.2	Very high	37 Å²	37	86.1 Å²	86.1	19%	0.194	42%	0.418	C	S	.	.	H	α-helix	trans	-62.4	-39.6	173.4	-65.6	162.4	0	0	0	111.6	K84 W157 T164 K165 A166 V168	K84-L161 HydrophobicContact CD-CD2 4.35Å; W157-L161 HydrophobicContact CB-CD1 4.43Å; W157-L161 HydrophobicContact CE3-CD1 4.23Å; W157-L161 HydrophobicContact CE3-CD2 4.24Å; W157-L161 HydrophobicContact CE3-CG 4.09Å; W157-L161 HydrophobicContact CZ3-CD2 4.36Å; W157-L161 WeakPolarHBondContact O-CB 3.45Å; W157-L161 WeakPolarHBondContact O-CD1 3.41Å; W157-L161 WeakPolarHBondContact O-CG 3.35Å; W157-L161 PolarHBondContact O-N 3.49Å; L161-T164 PolarHBondContact O-OG1 2.59Å; L161-K165 VanDerWaalsContact O-CA 3.27Å; L161-K165 WeakPolarHBondContact O-CA 3.44Å; L161-K165 PolarHBondContact O-N 3.16Å; L161-A166 HydrophobicContact CD2-CB 4.44Å; L161-A166 PolarHBondContact O-N 2.67Å; L161-V168 HydrophobicContact CD1-CG1 3.56Å; L161-V168 HydrophobicContact CD2-CG1 3.75Å; L161-V168 HydrophobicContact CG-CG1 4.24Å
162	R	95.4	Very high	94.6	Very high	177 Å²	177	88.4 Å²	88.4	67%	0.668	43%	0.43	S	S	*	.	H	α-helix	trans	-65.9	-38.7	176.7	-168.5	-171.7	-52.3	171.9	8	112.4	T158 N159 Y160	T158-R162 WeakPolarHBondContact O-CB 3.36Å; N159-R162 WeakPolarHBondContact O-CB 3.37Å; N159-R162 PolarHBondContact O-N 2.89Å; Y160-R162 VanDerWaalsContact C-N 3.33Å; Y160-R162 PolarHBondContact O-N 3.4Å
163	M	93.8	Very high	95.1	Very high	133 Å²	133	85.5 Å²	85.5	66%	0.655	42%	0.418	S	S	*	.	H	α-helix	trans	-70.3	-44	177.6	-176.8	172.6	68.6	0	0	111.9	N159 Y160	N159-M163 WeakPolarHBondContact O-CB 3.45Å; N159-M163 PolarHBondContact O-N 3.46Å; Y160-M163 HydrophobicContact CD2-CE 3.62Å; Y160-M163 HydrophobicContact CE2-CE 3.7Å; Y160-M163 PolarHBondContact O-N 3.18Å
164	T	95.2	Very high	95.5	Very high	52 Å²	52	78.8 Å²	78.8	32%	0.319	39%	0.386	S	S	.	.	H	α-helix	trans	-83.1	-13.4	-179.1	54.6	0	0	0	0	114.2	K84 Y160 L161 A166	K84-T164 WeakPolarHBondContact CE-OG1 3.44Å; Y160-T164 HydrophobicContact CD1-CG2 4.35Å; Y160-T164 HydrophobicContact CD2-CG2 4.45Å; Y160-T164 HydrophobicContact CE1-CG2 3.82Å; Y160-T164 HydrophobicContact CE2-CG2 3.92Å; Y160-T164 WeakPolarHBondContact O-CB 3.34Å; Y160-T164 WeakPolarHBondContact O-CG2 3.33Å; Y160-T164 PolarHBondContact O-N 3.46Å; Y160-T164 PolarHBondContact O-OG1 2.79Å; L161-T164 PolarHBondContact O-OG1 2.59Å; T164-A166 PolarHBondContact O-N 3.1Å
165	K	96.9	Very high	95.6	Very high	196 Å²	196	76.3 Å²	76.3	85%	0.852	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	21	-171.2	-51.8	176.9	-174.5	171.5	0	113.8	L161	L161-K165 VanDerWaalsContact O-CA 3.27Å; L161-K165 WeakPolarHBondContact O-CA 3.44Å; L161-K165 PolarHBondContact O-N 3.16Å
166	A	96.4	Very high	94.9	Very high	26 Å²	26	75.4 Å²	75.4	22%	0.215	38%	0.382	C	S	.	.			trans	-88.8	172	-178.7	0	0	0	0	0	112.3	K84 L161 T164	K84-A166 HydrophobicContact CD-CB 3.8Å; K84-A166 VanDerWaalsContact CE-CB 3.47Å; K84-A166 HydrophobicContact CG-CB 4.06Å; L161-A166 HydrophobicContact CD2-CB 4.44Å; L161-A166 PolarHBondContact O-N 2.67Å; T164-A166 PolarHBondContact O-N 3.1Å
167	Q	97.2	Very high	93.8	Very high	149 Å²	149	75.9 Å²	75.9	70%	0.696	39%	0.386	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.9	155.7	171.5	-64.4	-177.1	-1.4	0	0	109.7	M83 K84	M83-Q167 CarbonylContact C-O 3.58Å; M83-Q167 WeakPolarHBondContact CA-O 3.42Å; K84-Q167 PolarHBondContact N-O 2.66Å
168	V	98.1	Very high	92.6	Very high	52 Å²	52	74.9 Å²	74.9	32%	0.315	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	153.5	170.7	-61.4	0	0	0	0	110.3	K84 A134 W157 L161 P170	K84-V168 CarbonylContact O-C 3.51Å; K84-V168 VanDerWaalsContact O-CA 3.29Å; K84-V168 WeakPolarHBondContact O-CA 3.35Å; A134-V168 HydrophobicContact CB-CB 3.95Å; A134-V168 HydrophobicContact CB-CG1 3.41Å; A134-V168 VanDerWaalsContact CB-CG1 3.41Å; W157-V168 HydrophobicContact CE3-CG1 4.14Å; W157-V168 HydrophobicContact CZ3-CG1 4.29Å; L161-V168 HydrophobicContact CD1-CG1 3.56Å; L161-V168 HydrophobicContact CD2-CG1 3.75Å; L161-V168 HydrophobicContact CG-CG1 4.24Å; V168-P170 WeakPolarHBondContact O-CD 3.4Å
169	A	98.1	Very high	91.6	Very high	1 Å²	1	77.2 Å²	77.2	1%	0.008	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-63.8	129.1	162	0	0	0	0	0	109.5	F79 M83 K84 L85 F174	F79-A169 HydrophobicContact CD1-CB 3.87Å; F79-A169 HydrophobicContact CE1-CB 3.62Å; M83-A169 HydrophobicContact CB-CB 4.25Å; M83-A169 HydrophobicContact SD-CB 4.24Å; K84-A169 PolarHBondContact O-N 3.44Å; L85-A169 HydrophobicContact CB-CB 4.31Å; L85-A169 HydrophobicContact CD2-CB 4.45Å; A169-F174 HydrophobicContact CB-CE2 3.75Å; A169-F174 HydrophobicContact CB-CZ 3.66Å
170	P	96.8	Very high	90.7	Very high	45 Å²	45	77.6 Å²	77.6	29%	0.292	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-59.8	147.2	175.7	-24.4	33.6	0	0	0	112.8	M83 V168 E172 L173 F174	M83-P170 HydrophobicContact CE-CG 4.42Å; V168-P170 WeakPolarHBondContact O-CD 3.4Å; P170-E172 HydrophobicContact CB-CG 4.11Å; P170-E172 VanDerWaalsContact CB-OE1 3.31Å; P170-E172 WeakPolarHBondContact CB-OE1 3.49Å; P170-E172 WeakPolarHBondContact CB-OE2 3.4Å; P170-E172 PolarHBondContact O-N 2.88Å; P170-L173 HydrophobicContact CB-CG 4.38Å; P170-L173 WeakPolarHBondContact O-CB 3.3Å; P170-L173 PolarHBondContact O-N 3.2Å; P170-L173 VanDerWaalsContact O-N 3.16Å; P170-F174 WeakPolarHBondContact O-CD2 3.48Å; P170-F174 WeakPolarHBondContact O-CE2 3.36Å
171	K	95.1	Very high	89.5	Confident	131 Å²	131	82.4 Å²	82.4	57%	0.57	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-66.8	-28.5	-171.3	-59.8	-148.9	171.6	-161.4	0	112.8	P133 L173 F174	P133-K171 HydrophobicContact CB-CB 4.3Å; P133-K171 HydrophobicContact CB-CD 4.02Å; P133-K171 HydrophobicContact CB-CG 3.72Å; P133-K171 HydrophobicContact CG-CB 4.47Å; P133-K171 HydrophobicContact CG-CD 3.99Å; P133-K171 HydrophobicContact CG-CG 4.12Å; K171-L173 PolarHBondContact O-N 2.82Å; K171-F174 PolarHBondContact O-N 3.4Å
172	E	94.3	Very high	88.4	Confident	156 Å²	156	83.3 Å²	83.3	73%	0.729	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-68.4	-5.7	176.3	62.4	-91.8	-146.5	0	0	114.8	P170	P170-E172 HydrophobicContact CB-CG 4.11Å; P170-E172 VanDerWaalsContact CB-OE1 3.31Å; P170-E172 WeakPolarHBondContact CB-OE1 3.49Å; P170-E172 WeakPolarHBondContact CB-OE2 3.4Å; P170-E172 PolarHBondContact O-N 2.88Å
173	L	95.9	Very high	87.4	Confident	40 Å²	40	84.5 Å²	84.5	21%	0.209	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-87.9	-14.9	174.9	-59.1	-171.3	0	0	0	114.1	F79 M83 P170 K171	F79-L173 HydrophobicContact CB-CD1 4.45Å; F79-L173 HydrophobicContact CD1-CD1 3.9Å; F79-L173 HydrophobicContact CD2-CB 4.23Å; F79-L173 HydrophobicContact CD2-CD1 4.12Å; F79-L173 HydrophobicContact CE1-CB 4.14Å; F79-L173 HydrophobicContact CE1-CD1 4.16Å; F79-L173 HydrophobicContact CE2-CB 3.7Å; F79-L173 HydrophobicContact CE2-CD1 4.36Å; F79-L173 HydrophobicContact CG-CD1 3.88Å; F79-L173 HydrophobicContact CZ-CB 3.65Å; F79-L173 HydrophobicContact CZ-CD1 4.38Å; M83-L173 HydrophobicContact SD-CD1 4.25Å; P170-L173 HydrophobicContact CB-CG 4.38Å; P170-L173 WeakPolarHBondContact O-CB 3.3Å; P170-L173 PolarHBondContact O-N 3.2Å; P170-L173 VanDerWaalsContact O-N 3.16Å; K171-L173 PolarHBondContact O-N 2.82Å
174	F	95.1	Very high	86.7	Confident	22 Å²	22	79.5 Å²	79.5	10%	0.096	40%	0.404	C	S	.	.			trans	-93.1	129.3	-171.5	-64.6	-91.4	0	0	0	111.3	F79 L85 I131 H132 P133 A169 P170 K171	F79-F174 HydrophobicContact CE1-CE1 4.07Å; F79-F174 HydrophobicContact CE1-CE2 4.3Å; F79-F174 AromaticContact CE1-CZ 3.86Å; F79-F174 HydrophobicContact CE1-CZ 3.86Å; F79-F174 HydrophobicContact CZ-CD1 4.21Å; F79-F174 HydrophobicContact CZ-CE1 4.02Å; F79-F174 HydrophobicContact CZ-CE2 4.42Å; F79-F174 HydrophobicContact CZ-CZ 4.14Å; L85-F174 HydrophobicContact CB-CE1 4.15Å; L85-F174 HydrophobicContact CB-CZ 3.78Å; L85-F174 HydrophobicContact CD2-CE1 4.31Å; L85-F174 HydrophobicContact CD2-CZ 4.3Å; I131-F174 HydrophobicContact CB-CD1 4.36Å; I131-F174 HydrophobicContact CB-CE1 4.12Å; I131-F174 HydrophobicContact CD1-CD1 4.3Å; I131-F174 HydrophobicContact CD1-CE1 4.25Å; I131-F174 HydrophobicContact CG1-CD1 4.07Å; I131-F174 HydrophobicContact CG1-CE1 4.2Å; I131-F174 WeakPolarHBondContact O-CD1 3.36Å; H132-F174 WeakPolarHBondContact O-CE1 3.32Å; H132-F174 WeakPolarHBondContact O-CZ 3.46Å; P133-F174 HydrophobicContact CB-CD2 3.89Å; P133-F174 HydrophobicContact CB-CE2 3.67Å; P133-F174 HydrophobicContact CB-CZ 4.22Å; P133-F174 HydrophobicContact CG-CD2 4.27Å; P133-F174 HydrophobicContact CG-CE2 4.48Å; A169-F174 HydrophobicContact CB-CE2 3.75Å; A169-F174 HydrophobicContact CB-CZ 3.66Å; P170-F174 WeakPolarHBondContact O-CD2 3.48Å; P170-F174 WeakPolarHBondContact O-CE2 3.36Å; K171-F174 PolarHBondContact O-N 3.4Å
175	A	88.7	Confident	86.5	Confident	60 Å²	60	78.9 Å²	78.9	50%	0.496	41%	0.409	S	S	.	.	S	Bend	trans	-74.5	-37.7	178.3	0	0	0	0	0	112.4	N127 P177	N127-A175 HydrophobicContact CB-CB 4.12Å; N127-A175 WeakPolarHBondContact O-CB 3.39Å; A175-P177 VanDerWaalsContact O-CD 3.27Å; A175-P177 WeakPolarHBondContact O-CD 3.46Å
176	S	80.9	Confident	86.4	Confident	7 Å²	7	70 Å²	70	5%	0.049	37%	0.37	C	S	.	.			trans	-75.6	116.9	167.5	165.2	0	0	0	0	109.4	G178 D213	S176-G178 PolarHBondContact O-N 3.29Å; S176-G178 PolarHBondContact OG-N 2.81Å; S176-D213 WeakPolarHBondContact CB-OD2 3.28Å; S176-D213 PolarHBondContact OG-OD2 3.16Å
177	P	71.8	Confident	86.4	Confident	79 Å²	79	74 Å²	74	51%	0.513	38%	0.384	S	S	.	.			trans	-75	-9.6	167	31.4	-32.7	0	0	0	112.2	A175 R179 D213	A175-P177 VanDerWaalsContact O-CD 3.27Å; A175-P177 WeakPolarHBondContact O-CD 3.46Å; P177-R179 HydrophobicContact CB-CG 4.14Å; P177-R179 HydrophobicContact CG-CG 3.96Å; P177-D213 WeakPolarHBondContact CD-OD2 3.38Å; P177-D213 WeakPolarHBondContact CG-OD1 3.3Å
178	G	72.3	Confident	86.3	Confident	6 Å²	6	71.4 Å²	71.4	6%	0.062	38%	0.378	C	S	.	.			trans	70.8	38	171.3	0	0	0	0	0	113	W136 S176 D213	W136-G178 PolarHBondContact NE1-O 3.29Å; S176-G178 PolarHBondContact O-N 3.29Å; S176-G178 PolarHBondContact OG-N 2.81Å; G178-D213 WeakPolarHBondContact CA-OD2 3.35Å; G178-D213 PolarHBondContact N-OD1 3.41Å; G178-D213 PolarHBondContact N-OD2 3.16Å
179	R	76.1	Confident	86.3	Confident	145 Å²	145	70.3 Å²	70.3	55%	0.547	38%	0.378	S	S	.	.			trans	-80.9	145.9	-175.8	-64.1	176.4	-169.3	-171.3	7.2	111.3	P177 V182 D213	P177-R179 HydrophobicContact CB-CG 4.14Å; P177-R179 HydrophobicContact CG-CG 3.96Å; R179-V182 HydrophobicContact CB-CG2 3.91Å; R179-D213 WeakPolarHBondContact CB-OD1 3.35Å; R179-D213 PolarHBondContact N-OD1 3.44Å; R179-D213 WeakPolarHBondContact O-CA 3.47Å; R179-D213 PolarHBondContact O-N 3.36Å
180	M	74	Confident	86.4	Confident	93 Å²	93	71.3 Å²	71.3	46%	0.458	38%	0.382	S	S	.	.	S	Bend	trans	-119.5	8.9	177.5	-52.7	-170.3	91.2	0	0	112.9	T140 H142 V211 V212	T140-M180 HydrophobicContact CG2-CG 4.21Å; T140-M180 HydrophobicContact CG2-SD 3.79Å; H142-M180 WeakPolarHBondContact CE1-CE 3.45Å; H142-M180 WeakPolarHBondContact NE2-CE 3.25Å; M180-V211 WeakPolarHBondContact CE-O 3.25Å; M180-V212 HydrophobicContact CE-CG2 4.5Å
181	D	70.8	Confident	86.5	Confident	124 Å²	124	69.7 Å²	69.7	66%	0.663	37%	0.371	S	S	*	.			trans	-98.2	-3.7	174	68.3	-44.1	0	0	0	113.4	K183	D181-K183 PolarHBondContact O-N 2.67Å
182	V	74.6	Confident	86.6	Confident	55 Å²	55	63.4 Å²	63.4	33%	0.333	34%	0.344	S	S	.	.			trans	-71	120.6	178	176.4	0	0	0	0	110	R179 C184 D213 D214	R179-V182 HydrophobicContact CB-CG2 3.91Å; V182-C184 PolarHBondContact O-N 2.71Å; V182-D213 WeakPolarHBondContact CB-O 3.36Å; V182-D213 WeakPolarHBondContact CG1-O 3.45Å; V182-D214 HydrophobicContact CG1-CB 4.44Å
183	K	72.9	Confident	86.9	Confident	203 Å²	203	56 Å²	56	88%	0.883	31%	0.309	S	S	*	.			trans	-90.9	88.7	179.6	-67.5	-168	175.2	-168	0	111.7	D181 G185	D181-K183 PolarHBondContact O-N 2.67Å; K183-G185 VanDerWaalsContact C-N 3.33Å
184	C	80.1	Confident	87	Confident	27 Å²	27	54.1 Å²	54.1	18%	0.182	30%	0.299	C	S	.	.			trans	-77.6	-13.2	172.4	60.5	0	0	0	0	114	V182	V182-C184 PolarHBondContact O-N 2.71Å
185	G	89.6	Confident	87.2	Confident	40 Å²	40	53.8 Å²	53.8	41%	0.412	30%	0.299	S	S	.	.	S	Bend	trans	92.3	-2.1	-177.3	0	0	0	0	0	114.6	K183	K183-G185 VanDerWaalsContact C-N 3.33Å
186	F	96.1	Very high	87.5	Confident	8 Å²	8	51.3 Å²	51.3	4%	0.035	28%	0.277	C	S	.	.			trans	-106.7	139.9	172.1	-65.2	-112.2	0	0	0	108	V208 F216 A233 I238 V277 A281 F282	F186-V208 HydrophobicContact CB-CG2 4.36Å; F186-V208 HydrophobicContact CD1-CG2 4.07Å; F186-F216 HydrophobicContact CB-CD1 3.77Å; F186-F216 HydrophobicContact CB-CE1 4.05Å; F186-F216 HydrophobicContact CB-CG 4.09Å; F186-F216 HydrophobicContact CD1-CD1 4.07Å; F186-F216 HydrophobicContact CD1-CD2 4.03Å; F186-F216 AromaticContact CD1-CE1 3.63Å; F186-F216 HydrophobicContact CD1-CE1 3.63Å; F186-F216 AromaticContact CD1-CE2 3.58Å; F186-F216 HydrophobicContact CD1-CE2 3.58Å; F186-F216 HydrophobicContact CD1-CG 4.25Å; F186-F216 AromaticContact CD1-CZ 3.37Å; F186-F216 HydrophobicContact CD1-CZ 3.37Å; F186-F216 HydrophobicContact CD2-CD1 4.04Å; F186-F216 AromaticContact CD2-CE1 3.46Å; F186-F216 HydrophobicContact CD2-CE1 3.46Å; F186-F216 VanDerWaalsContact CD2-CE1 3.46Å; F186-F216 AromaticContact CD2-CZ 3.94Å; F186-F216 HydrophobicContact CD2-CZ 3.94Å; F186-F216 AromaticContact CE1-CE1 3.88Å; F186-F216 HydrophobicContact CE1-CE1 3.88Å; F186-F216 AromaticContact CE1-CE2 3.69Å; F186-F216 HydrophobicContact CE1-CE2 3.69Å; F186-F216 AromaticContact CE1-CZ 3.28Å; F186-F216 HydrophobicContact CE1-CZ 3.28Å; F186-F216 AromaticContact CE2-CE1 3.76Å; F186-F216 HydrophobicContact CE2-CE1 3.76Å; F186-F216 AromaticContact CE2-CZ 3.9Å; F186-F216 HydrophobicContact CE2-CZ 3.9Å; F186-F216 AromaticContact CG-CD1 3.7Å; F186-F216 HydrophobicContact CG-CD1 3.7Å; F186-F216 HydrophobicContact CG-CD2 4.45Å; F186-F216 AromaticContact CG-CE1 3.43Å; F186-F216 HydrophobicContact CG-CE1 3.43Å; F186-F216 VanDerWaalsContact CG-CE1 3.43Å; F186-F216 HydrophobicContact CG-CE2 4.22Å; F186-F216 HydrophobicContact CG-CG 4.21Å; F186-F216 AromaticContact CG-CZ 3.72Å; F186-F216 HydrophobicContact CG-CZ 3.72Å; F186-F216 AromaticContact CZ-CE1 3.96Å; F186-F216 HydrophobicContact CZ-CE1 3.96Å; F186-F216 HydrophobicContact CZ-CE2 4.42Å; F186-F216 AromaticContact CZ-CZ 3.59Å; F186-F216 HydrophobicContact CZ-CZ 3.59Å; F186-A233 HydrophobicContact CD2-CB 4.38Å; F186-A233 HydrophobicContact CE2-CB 3.65Å; F186-A233 HydrophobicContact CZ-CB 4.38Å; F186-I238 HydrophobicContact CE1-CD1 4.11Å; F186-I238 HydrophobicContact CZ-CD1 4.06Å; F186-V277 HydrophobicContact CD1-CB 4.46Å; F186-V277 HydrophobicContact CD1-CG1 3.75Å; F186-V277 HydrophobicContact CD1-CG2 3.84Å; F186-V277 HydrophobicContact CE1-CB 4.41Å; F186-V277 HydrophobicContact CE1-CG1 3.62Å; F186-V277 HydrophobicContact CE1-CG2 4.12Å; F186-V277 HydrophobicContact CE2-CG1 4.39Å; F186-V277 HydrophobicContact CG-CG1 4.21Å; F186-V277 HydrophobicContact CZ-CG1 3.95Å; F186-A281 HydrophobicContact CD2-CB 4.36Å; F186-A281 HydrophobicContact CE2-CB 3.92Å; F186-A281 HydrophobicContact CZ-CB 4.45Å; F186-F282 HydrophobicContact CE1-CD1 4.43Å; F186-F282 AromaticContact CE1-CE1 3.99Å; F186-F282 HydrophobicContact CE1-CE1 3.99Å; F186-F282 HydrophobicContact CE1-CZ 4.16Å; F186-F282 HydrophobicContact CZ-CD1 4.03Å; F186-F282 HydrophobicContact CZ-CE1 4.05Å; F186-F282 HydrophobicContact CZ-CG 4.32Å; F186-F282 HydrophobicContact CZ-CZ 4.36Å
187	E	95.5	Very high	88	Confident	112 Å²	112	56.3 Å²	56.3	52%	0.523	30%	0.295	S	S	.	.			trans	-132.9	144	179.1	-59.3	178.7	161.5	0	0	109.7	G189 M190	E187-G189 PolarHBondContact O-N 2.53Å; E187-M190 HydrophobicContact CB-CE 3.88Å; E187-M190 HydrophobicContact CB-CG 4.15Å; E187-M190 HydrophobicContact CB-SD 4.15Å; E187-M190 HydrophobicContact CG-CE 3.79Å; E187-M190 HydrophobicContact CG-SD 4.49Å; E187-M190 VanDerWaalsContact O-CB 3.28Å; E187-M190 WeakPolarHBondContact O-CB 3.42Å; E187-M190 VanDerWaalsContact O-CG 3.32Å; E187-M190 WeakPolarHBondContact O-CG 3.48Å; E187-M190 PolarHBondContact O-N 3.34Å; E187-M190 WeakPolarHBondContact OE2-CE 3.44Å
188	T	96.7	Very high	88.9	Confident	93 Å²	93	58.9 Å²	58.9	57%	0.571	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.3	128.7	176.9	-55.2	0	0	0	0	112.3	V208 T209	T188-V208 CarbonylContact C-O 3.58Å; T188-V208 WeakPolarHBondContact CA-O 3.36Å; T188-T209 WeakPolarHBondContact CG2-O 3.26Å
189	G	97.9	Very high	89.7	Confident	29 Å²	29	62 Å²	62	30%	0.299	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.9	-1.1	-176.8	0	0	0	0	0	115.2	E187 V208 S274	E187-G189 PolarHBondContact O-N 2.53Å; G189-V208 PolarHBondContact N-O 3.48Å; G189-S274 WeakPolarHBondContact O-CB 3.22Å; G189-S274 PolarHBondContact O-OG 3.39Å
190	M	98.6	Very high	90.4	Very high	22 Å²	22	58.6 Å²	58.6	11%	0.108	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	149.8	163.2	-68.9	-170.1	174.7	0	0	111.2	E187 T207 V208 K275 V277	E187-M190 HydrophobicContact CB-CE 3.88Å; E187-M190 HydrophobicContact CB-CG 4.15Å; E187-M190 HydrophobicContact CB-SD 4.15Å; E187-M190 HydrophobicContact CG-CE 3.79Å; E187-M190 HydrophobicContact CG-SD 4.49Å; E187-M190 VanDerWaalsContact O-CB 3.28Å; E187-M190 WeakPolarHBondContact O-CB 3.42Å; E187-M190 VanDerWaalsContact O-CG 3.32Å; E187-M190 WeakPolarHBondContact O-CG 3.48Å; E187-M190 PolarHBondContact O-N 3.34Å; E187-M190 WeakPolarHBondContact OE2-CE 3.44Å; M190-T207 CarbonylContact O-C 3.07Å; M190-T207 WeakPolarHBondContact O-CA 3.4Å; M190-V208 PolarHBondContact O-N 3.1Å; M190-K275 CarbonylContact C-O 3.59Å; M190-K275 VanDerWaalsContact CA-O 3.32Å; M190-K275 WeakPolarHBondContact CA-O 3.28Å; M190-V277 HydrophobicContact CB-CG2 3.63Å; M190-V277 HydrophobicContact CG-CG2 4.5Å; M190-V277 HydrophobicContact SD-CB 4.41Å; M190-V277 HydrophobicContact SD-CG2 4.1Å
191	K	98.8	Very high	91.2	Very high	11 Å²	11	59.2 Å²	59.2	5%	0.048	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	150.2	-179.4	-63.2	-169.6	179.6	-70.3	0	113.2	A206 T207 D221 W265 Y268 L269 S274 K275 A276 V277	K191-A206 CarbonylContact C-O 3.55Å; K191-A206 VanDerWaalsContact CA-O 3.25Å; K191-A206 WeakPolarHBondContact CA-O 3.36Å; K191-A206 WeakPolarHBondContact CB-O 3.21Å; K191-T207 PolarHBondContact NZ-OG1 2.97Å; K191-D221 IonicContact NZ-OD1 3.77Å; K191-D221 IonicContact NZ-OD2 3.79Å; K191-D221 PolarHBondContact NZ-OD2 2.96Å; K191-W265 HydrophobicContact CB-CH2 4.15Å; K191-W265 HydrophobicContact CB-CZ3 3.86Å; K191-W265 HydrophobicContact CD-CZ3 4.04Å; K191-Y268 HydrophobicContact CD-CD1 4.15Å; K191-Y268 HydrophobicContact CD-CE1 3.84Å; K191-L269 HydrophobicContact CB-CD2 4.28Å; K191-L269 HydrophobicContact CD-CD2 4.18Å; K191-L269 HydrophobicContact CG-CD2 4.49Å; K191-S274 WeakPolarHBondContact CE-OG 3.4Å; K191-K275 PolarHBondContact N-O 2.79Å; K191-A276 CarbonylContact O-C 3.59Å; K191-A276 WeakPolarHBondContact O-CA 3.29Å; K191-V277 PolarHBondContact O-N 3.18Å
192	L	98.9	Very high	92.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	173.1	-177.5	63.1	149.5	0	0	0	110.8	A194 A206 V208 V218 I238 W265 V277 F282	L192-A194 HydrophobicContact CD1-CB 4.19Å; L192-A206 HydrophobicContact CG-CB 4.23Å; L192-A206 PolarHBondContact N-O 3.26Å; L192-A206 PolarHBondContact O-N 2.78Å; L192-V208 HydrophobicContact CD2-CG2 3.81Å; L192-V218 HydrophobicContact CD1-CG1 4.48Å; L192-V218 HydrophobicContact CD1-CG2 4.35Å; L192-I238 HydrophobicContact CD1-CB 3.67Å; L192-I238 HydrophobicContact CD1-CG2 3.56Å; L192-W265 WeakPolarHBondContact O-CH2 3.42Å; L192-V277 HydrophobicContact CB-CG2 4.32Å; L192-V277 HydrophobicContact CD2-CG2 4.44Å; L192-F282 HydrophobicContact CB-CZ 4.14Å
193	E	98.9	Very high	93.5	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	134.1	163.9	-69.5	176.5	-168.1	0	0	108.1	I203 C204 H239 G242 W243 C244 L251 W265	E193-I203 HydrophobicContact CB-CG2 4.07Å; E193-C204 WeakPolarHBondContact CA-O 3.3Å; E193-H239 HydrophobicContact CB-CB 4.1Å; E193-H239 PolarHBondContact N-O 2.79Å; E193-H239 PolarHBondContact O-N 2.89Å; E193-G242 WeakPolarHBondContact OE1-CA 3.27Å; E193-G242 PolarHBondContact OE1-N 3.17Å; E193-W243 PolarHBondContact OE2-N 3.05Å; E193-C244 WeakPolarHBondContact OE2-CB 3.31Å; E193-C244 PolarHBondContact OE2-N 3.46Å; E193-L251 HydrophobicContact CB-CD1 4.48Å; E193-L251 HydrophobicContact CG-CD1 3.83Å; E193-L251 HydrophobicContact CG-CD2 4.49Å; E193-W265 HydrophobicContact CG-CZ2 3.6Å; E193-W265 PolarHBondContact OE1-NE1 3.17Å
194	A	98.8	Very high	94.7	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	145.2	-176.1	0	0	0	0	0	112.7	L192 I203 C204 A206 V218 F220 Y237 I238	L192-A194 HydrophobicContact CD1-CB 4.19Å; A194-I203 CarbonylContact O-C 3.58Å; A194-I203 WeakPolarHBondContact O-CA 3.27Å; A194-C204 PolarHBondContact N-O 3.38Å; A194-C204 PolarHBondContact O-N 3.23Å; A194-A206 HydrophobicContact CB-CB 3.75Å; A194-V218 HydrophobicContact CB-CG1 3.68Å; A194-F220 HydrophobicContact CB-CE1 3.87Å; A194-F220 HydrophobicContact CB-CZ 4.17Å; A194-Y237 CarbonylContact C-O 3.58Å; A194-Y237 WeakPolarHBondContact CA-O 3.39Å; A194-I238 HydrophobicContact CB-CG2 4.44Å
195	V	98.4	Very high	95.6	Very high	14 Å²	14	44.2 Å²	44.2	9%	0.085	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	128.7	174.1	-179	0	0	0	0	109.3	R197 P200 L202 I203 Y229 Y237	V195-R197 PolarHBondContact O-N 3.01Å; V195-P200 HydrophobicContact CG1-CB 4.32Å; V195-L202 WeakPolarHBondContact CA-O 3.34Å; V195-I203 HydrophobicContact CG2-CG1 4.16Å; V195-Y229 WeakPolarHBondContact O-CE1 3.41Å; V195-Y229 PolarHBondContact O-OH 2.78Å; V195-Y237 HydrophobicContact CB-CD1 3.99Å; V195-Y237 HydrophobicContact CB-CG 4.48Å; V195-Y237 HydrophobicContact CG1-CD1 4.18Å; V195-Y237 HydrophobicContact CG2-CD1 4.12Å; V195-Y237 PolarHBondContact N-O 3.42Å
196	D	96.3	Very high	96.1	Very high	9 Å²	9	42.3 Å²	42.3	5%	0.048	23%	0.233	C	C	.	.			trans	-69.5	115.4	168.6	174.3	-1.6	0	0	0	109.3	M198 N199 P200 L202 F220	D196-M198 VanDerWaalsContact C-N 3.28Å; D196-M198 PolarHBondContact O-N 3.41Å; D196-M198 WeakPolarHBondContact OD1-CA 3.5Å; D196-M198 VanDerWaalsContact OD1-CB 3.32Å; D196-M198 WeakPolarHBondContact OD1-CB 3.4Å; D196-M198 PolarHBondContact OD1-N 3.16Å; D196-N199 HydrophobicContact CB-CB 4.46Å; D196-N199 VanDerWaalsContact CG-N 3.3Å; D196-N199 CarbonylContact O-C 3.26Å; D196-N199 PolarHBondContact O-N 3.27Å; D196-N199 PolarHBondContact OD1-N 3.36Å; D196-N199 VanDerWaalsContact OD1-N 3.12Å; D196-N199 VanDerWaalsContact OD2-CB 3.29Å; D196-N199 WeakPolarHBondContact OD2-CB 3.35Å; D196-N199 PolarHBondContact OD2-N 2.69Å; D196-N199 PolarHBondContact OD2-ND2 2.88Å; D196-P200 WeakPolarHBondContact O-CA 3.32Å; D196-L202 HydrophobicContact CB-CB 4.27Å; D196-L202 PolarHBondContact N-O 2.94Å; D196-L202 VanDerWaalsContact N-O 3.09Å; D196-F220 HydrophobicContact CB-CZ 4.31Å
197	R	92.2	Very high	96.2	Very high	111 Å²	111	42.7 Å²	42.7	42%	0.419	24%	0.236	S	C	.	.	S	Bend	trans	-73.7	-17.7	-179.1	-67.7	-176.9	73	-125	5.9	113.4	V195 Y229 D336	V195-R197 PolarHBondContact O-N 3.01Å; R197-Y229 HydrophobicContact CG-CD1 4.07Å; R197-Y229 HydrophobicContact CG-CE1 3.81Å; R197-D336 IonicContact CZ-OD2 3.2Å; R197-D336 IonicContact NE-OD2 2.71Å; R197-D336 IonicContact NH2-OD2 2.76Å; R197-D336 PolarHBondContact NH2-OD2 3.24Å
198	M	88.8	Confident	96.4	Very high	133 Å²	133	37.3 Å²	37.3	66%	0.655	21%	0.211	S	C	*	.	S	Bend	trans	-81.7	-32.3	170.7	-57.9	-63.5	-178.2	0	0	111.6	D196 Y227	D196-M198 VanDerWaalsContact C-N 3.28Å; D196-M198 PolarHBondContact O-N 3.41Å; D196-M198 WeakPolarHBondContact OD1-CA 3.5Å; D196-M198 VanDerWaalsContact OD1-CB 3.32Å; D196-M198 WeakPolarHBondContact OD1-CB 3.4Å; D196-M198 PolarHBondContact OD1-N 3.16Å; M198-Y227 HydrophobicContact CB-CD1 4.35Å; M198-Y227 HydrophobicContact CB-CE1 4.33Å; M198-Y227 HydrophobicContact CG-CD1 4.19Å; M198-Y227 HydrophobicContact CG-CE1 4.44Å
199	N	90.4	Very high	96.4	Very high	73 Å²	73	35.3 Å²	35.3	39%	0.39	20%	0.199	S	C	.	.	S	Bend	trans	-128.5	74.9	175.1	-53.2	-87.2	0	0	0	112.2	D196 S201 L202	D196-N199 HydrophobicContact CB-CB 4.46Å; D196-N199 VanDerWaalsContact CG-N 3.3Å; D196-N199 CarbonylContact O-C 3.26Å; D196-N199 PolarHBondContact O-N 3.27Å; D196-N199 PolarHBondContact OD1-N 3.36Å; D196-N199 VanDerWaalsContact OD1-N 3.12Å; D196-N199 VanDerWaalsContact OD2-CB 3.29Å; D196-N199 WeakPolarHBondContact OD2-CB 3.35Å; D196-N199 PolarHBondContact OD2-N 2.69Å; D196-N199 PolarHBondContact OD2-ND2 2.88Å; N199-S201 PolarHBondContact O-N 2.89Å; N199-L202 HydrophobicContact CB-CD1 3.93Å; N199-L202 HydrophobicContact CB-CG 4.11Å; N199-L202 PolarHBondContact O-N 2.87Å
200	P	90.1	Very high	96.4	Very high	73 Å²	73	35.3 Å²	35.3	47%	0.474	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	2.4	-170	-26	36.6	0	0	0	117.6	V195 D196	V195-P200 HydrophobicContact CG1-CB 4.32Å; D196-P200 WeakPolarHBondContact O-CA 3.32Å
201	S	91.6	Very high	96.3	Very high	106 Å²	106	35.2 Å²	35.2	74%	0.741	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-8.3	168	54.6	0	0	0	0	113.6	N199	N199-S201 PolarHBondContact O-N 2.89Å
202	L	95	Very high	96	Very high	63 Å²	63	34.7 Å²	34.7	33%	0.33	19%	0.19	S	C	.	.			trans	-104.1	130.3	179.9	-56.2	-176.9	0	0	0	110.7	V195 D196 N199	V195-L202 WeakPolarHBondContact CA-O 3.34Å; D196-L202 HydrophobicContact CB-CB 4.27Å; D196-L202 PolarHBondContact N-O 2.94Å; D196-L202 VanDerWaalsContact N-O 3.09Å; N199-L202 HydrophobicContact CB-CD1 3.93Å; N199-L202 HydrophobicContact CB-CG 4.11Å; N199-L202 PolarHBondContact O-N 2.87Å
203	I	98.4	Very high	95.6	Very high	24 Å²	24	35.6 Å²	35.6	12%	0.123	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	127.2	164.4	-54.5	179.9	0	0	0	106.4	E193 A194 V195 W243 T252	E193-I203 HydrophobicContact CB-CG2 4.07Å; A194-I203 CarbonylContact O-C 3.58Å; A194-I203 WeakPolarHBondContact O-CA 3.27Å; V195-I203 HydrophobicContact CG2-CG1 4.16Å; I203-W243 HydrophobicContact CD1-CE3 4.3Å; I203-W243 HydrophobicContact CD1-CH2 4.26Å; I203-W243 HydrophobicContact CD1-CZ3 3.53Å; I203-T252 PolarHBondContact O-N 3.09Å; I203-T252 PolarHBondContact O-OG1 2.64Å
204	C	98.6	Very high	95.2	Very high	6 Å²	6	40.3 Å²	40.3	4%	0.041	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	158	-164.3	-57.4	0	0	0	0	111.9	E193 A194 A206 F220 T252	E193-C204 WeakPolarHBondContact CA-O 3.3Å; A194-C204 PolarHBondContact N-O 3.38Å; A194-C204 PolarHBondContact O-N 3.23Å; C204-A206 PolarHBondContact O-N 3.43Å; C204-F220 HydrophobicContact CB-CD1 3.51Å; C204-F220 HydrophobicContact CB-CE1 3.68Å; C204-T252 WeakPolarHBondContact CA-O 3.5Å; C204-T252 VanDerWaalsContact SG-CB 3.54Å
205	V	98.8	Very high	95	Very high	1 Å²	1	42.1 Å²	42.1	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	122.2	168.2	171.7	0	0	0	0	109.4	D221 L251 T252 P254 F263 W265 Y268	V205-D221 HydrophobicContact CG1-CB 4.11Å; V205-D221 WeakPolarHBondContact CG1-OD2 3.44Å; V205-D221 PolarHBondContact O-N 2.79Å; V205-D221 VanDerWaalsContact O-N 3.13Å; V205-L251 HydrophobicContact CG2-CD1 4.15Å; V205-L251 HydrophobicContact CG2-CD2 3.91Å; V205-L251 HydrophobicContact CG2-CG 4.05Å; V205-T252 PolarHBondContact N-O 2.88Å; V205-P254 HydrophobicContact CB-CG 4.19Å; V205-P254 HydrophobicContact CG1-CG 3.79Å; V205-F263 HydrophobicContact CB-CZ 4.49Å; V205-F263 HydrophobicContact CG1-CZ 4.26Å; V205-F263 HydrophobicContact CG2-CD1 4.44Å; V205-F263 HydrophobicContact CG2-CE1 3.67Å; V205-F263 HydrophobicContact CG2-CE2 4.03Å; V205-F263 HydrophobicContact CG2-CZ 3.44Å; V205-F263 VanDerWaalsContact CG2-CZ 3.44Å; V205-W265 HydrophobicContact CB-CH2 4.15Å; V205-W265 HydrophobicContact CB-CZ2 4.31Å; V205-W265 HydrophobicContact CG1-CH2 3.63Å; V205-W265 HydrophobicContact CG1-CZ2 4.26Å; V205-W265 HydrophobicContact CG1-CZ3 4Å; V205-W265 HydrophobicContact CG2-CH2 4.04Å; V205-W265 HydrophobicContact CG2-CZ2 3.8Å; V205-Y268 HydrophobicContact CG1-CD1 4.11Å; V205-Y268 HydrophobicContact CG1-CE1 3.71Å
206	A	98.9	Very high	95	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	161.3	-172.9	0	0	0	0	0	113.2	K191 L192 A194 C204 V218 H219 F220	K191-A206 CarbonylContact C-O 3.55Å; K191-A206 VanDerWaalsContact CA-O 3.25Å; K191-A206 WeakPolarHBondContact CA-O 3.36Å; K191-A206 WeakPolarHBondContact CB-O 3.21Å; L192-A206 HydrophobicContact CG-CB 4.23Å; L192-A206 PolarHBondContact N-O 3.26Å; L192-A206 PolarHBondContact O-N 2.78Å; A194-A206 HydrophobicContact CB-CB 3.75Å; C204-A206 PolarHBondContact O-N 3.43Å; A206-V218 HydrophobicContact CB-CG1 3.97Å; A206-H219 CarbonylContact C-O 3.55Å; A206-H219 WeakPolarHBondContact CA-O 3.49Å; A206-H219 WeakPolarHBondContact CB-O 3.4Å; A206-F220 HydrophobicContact CB-CD1 4.16Å; A206-F220 HydrophobicContact CB-CE1 4.33Å
207	T	98.8	Very high	95.1	Very high	15 Å²	15	41.2 Å²	41.2	9%	0.092	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	143.5	-178.8	-62.9	0	0	0	0	110.7	M190 K191 T209 H219 D221	M190-T207 CarbonylContact O-C 3.07Å; M190-T207 WeakPolarHBondContact O-CA 3.4Å; K191-T207 PolarHBondContact NZ-OG1 2.97Å; T207-T209 PolarHBondContact O-N 3.24Å; T207-H219 PolarHBondContact N-O 3.12Å; T207-H219 PolarHBondContact O-N 3.25Å; T207-D221 WeakPolarHBondContact CB-OD1 3.5Å; T207-D221 PolarHBondContact N-OD1 3.22Å; T207-D221 PolarHBondContact OG1-OD1 3.09Å; T207-D221 PolarHBondContact OG1-OD2 3.1Å
208	V	98.6	Very high	95.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	108.1	163.6	178.7	0	0	0	0	108.4	F186 T188 G189 M190 L192 V211 F216 L217 V277	F186-V208 HydrophobicContact CB-CG2 4.36Å; F186-V208 HydrophobicContact CD1-CG2 4.07Å; T188-V208 CarbonylContact C-O 3.58Å; T188-V208 WeakPolarHBondContact CA-O 3.36Å; G189-V208 PolarHBondContact N-O 3.48Å; M190-V208 PolarHBondContact O-N 3.1Å; L192-V208 HydrophobicContact CD2-CG2 3.81Å; V208-V211 HydrophobicContact CG1-CG2 3.84Å; V208-F216 HydrophobicContact CG1-CB 3.95Å; V208-F216 HydrophobicContact CG2-CD2 4.3Å; V208-L217 WeakPolarHBondContact CA-O 3.22Å; V208-V277 HydrophobicContact CG2-CG2 4.3Å
209	T	98.1	Very high	95.9	Very high	50 Å²	50	31.3 Å²	31.3	31%	0.307	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-29.9	179.5	33.1	0	0	0	0	113.1	T188 T207 L217 H219	T188-T209 WeakPolarHBondContact CG2-O 3.26Å; T207-T209 PolarHBondContact O-N 3.24Å; T209-L217 PolarHBondContact N-O 3.48Å; T209-L217 WeakPolarHBondContact OG1-CD2 3.25Å; T209-L217 WeakPolarHBondContact OG1-CG 3.07Å; T209-L217 PolarHBondContact OG1-O 2.93Å; T209-H219 HydrophobicContact CG2-CB 3.38Å; T209-H219 WeakPolarHBondContact OG1-CB 3.41Å
210	D	97.2	Very high	96.3	Very high	29 Å²	29	28 Å²	28	16%	0.155	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	160	-176	-144.7	-25.9	0	0	0	112.4	H142 F216 L217 W230	H142-D210 IonicContact CD2-OD1 2.65Å; H142-D210 IonicContact CD2-OD2 3.34Å; H142-D210 PolarHBondContact CD2-OD2 3.12Å; H142-D210 IonicContact NE2-OD1 3.14Å; H142-D210 PolarHBondContact NE2-OD1 2.89Å; H142-D210 IonicContact NE2-OD2 3.86Å; H142-D210 PolarHBondContact NE2-OD2 3.31Å; D210-F216 CarbonylContact O-C 3.54Å; D210-F216 WeakPolarHBondContact O-CA 3.37Å; D210-F216 VanDerWaalsContact O-CB 3.27Å; D210-F216 WeakPolarHBondContact O-CB 3.33Å; D210-L217 HydrophobicContact CB-CB 3.73Å; D210-L217 HydrophobicContact CB-CD2 4.14Å; D210-L217 PolarHBondContact O-N 2.79Å; D210-W230 HydrophobicContact CB-CH2 3.78Å; D210-W230 HydrophobicContact CB-CZ2 4.24Å
211	V	95.8	Very high	96.6	Very high	20 Å²	20	24.8 Å²	24.8	12%	0.121	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	117.4	-177.8	-172.7	0	0	0	0	110.7	M180 V208 R215 F216	M180-V211 WeakPolarHBondContact CE-O 3.25Å; V208-V211 HydrophobicContact CG1-CG2 3.84Å; V211-R215 WeakPolarHBondContact CA-O 3.48Å; V211-F216 HydrophobicContact CG2-CB 4.13Å
212	V	93.4	Very high	96.9	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	124.3	-178.3	175.8	0	0	0	0	110	W136 M180 D214 R215 W230	W136-V212 HydrophobicContact CH2-CG1 4.5Å; W136-V212 HydrophobicContact CH2-CG2 3.96Å; W136-V212 HydrophobicContact CZ2-CG1 3.83Å; W136-V212 HydrophobicContact CZ2-CG2 3.83Å; M180-V212 HydrophobicContact CE-CG2 4.5Å; V212-D214 PolarHBondContact O-N 3.32Å; V212-R215 PolarHBondContact N-O 3.35Å; V212-R215 PolarHBondContact O-N 3.36Å; V212-W230 HydrophobicContact CB-CH2 4.01Å; V212-W230 HydrophobicContact CB-CZ3 3.95Å; V212-W230 HydrophobicContact CG2-CH2 3.7Å; V212-W230 HydrophobicContact CG2-CZ3 4.14Å
213	D	90.5	Very high	96.9	Very high	19 Å²	19	25.8 Å²	25.8	10%	0.102	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	-122.4	-166.9	-67.9	-53.5	0	0	0	111.3	S176 P177 G178 R179 V182	S176-D213 WeakPolarHBondContact CB-OD2 3.28Å; S176-D213 PolarHBondContact OG-OD2 3.16Å; P177-D213 WeakPolarHBondContact CD-OD2 3.38Å; P177-D213 WeakPolarHBondContact CG-OD1 3.3Å; G178-D213 WeakPolarHBondContact CA-OD2 3.35Å; G178-D213 PolarHBondContact N-OD1 3.41Å; G178-D213 PolarHBondContact N-OD2 3.16Å; R179-D213 WeakPolarHBondContact CB-OD1 3.35Å; R179-D213 PolarHBondContact N-OD1 3.44Å; R179-D213 WeakPolarHBondContact O-CA 3.47Å; R179-D213 PolarHBondContact O-N 3.36Å; V182-D213 WeakPolarHBondContact CB-O 3.36Å; V182-D213 WeakPolarHBondContact CG1-O 3.45Å
214	D	90.7	Very high	96.6	Very high	100 Å²	100	28.9 Å²	28.9	54%	0.535	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-0.9	177.1	61.2	-20.1	0	0	0	113.9	V182 V212	V182-D214 HydrophobicContact CG1-CB 4.44Å; V212-D214 PolarHBondContact O-N 3.32Å
215	R	95.3	Very high	96.4	Very high	37 Å²	37	31.4 Å²	31.4	14%	0.14	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	160.3	-178.4	-51.4	-167.3	-56.7	155.2	-1.5	112.4	P129 D130 V211 V212 W230 C231	P129-R215 PolarHBondContact O-NH2 3.24Å; D130-R215 IonicContact OD1-CZ 3.38Å; D130-R215 IonicContact OD1-NH1 2.67Å; D130-R215 PolarHBondContact OD1-NH1 2.96Å; D130-R215 IonicContact OD1-NH2 3.46Å; D130-R215 PolarHBondContact OD1-NH2 3.3Å; V211-R215 WeakPolarHBondContact CA-O 3.48Å; V212-R215 PolarHBondContact N-O 3.35Å; V212-R215 PolarHBondContact O-N 3.36Å; R215-W230 HydrophobicContact CB-CE3 4.01Å; R215-C231 CarbonylContact C-O 3.6Å; R215-C231 WeakPolarHBondContact CA-O 3.49Å
216	F	97.3	Very high	96.1	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	151.8	174.8	49.8	-91.6	0	0	0	111.7	F186 V208 D210 V211 V218 W230 C231 I238	F186-F216 HydrophobicContact CB-CD1 3.77Å; F186-F216 HydrophobicContact CB-CE1 4.05Å; F186-F216 HydrophobicContact CB-CG 4.09Å; F186-F216 HydrophobicContact CD1-CD1 4.07Å; F186-F216 HydrophobicContact CD1-CD2 4.03Å; F186-F216 AromaticContact CD1-CE1 3.63Å; F186-F216 HydrophobicContact CD1-CE1 3.63Å; F186-F216 AromaticContact CD1-CE2 3.58Å; F186-F216 HydrophobicContact CD1-CE2 3.58Å; F186-F216 HydrophobicContact CD1-CG 4.25Å; F186-F216 AromaticContact CD1-CZ 3.37Å; F186-F216 HydrophobicContact CD1-CZ 3.37Å; F186-F216 HydrophobicContact CD2-CD1 4.04Å; F186-F216 AromaticContact CD2-CE1 3.46Å; F186-F216 HydrophobicContact CD2-CE1 3.46Å; F186-F216 VanDerWaalsContact CD2-CE1 3.46Å; F186-F216 AromaticContact CD2-CZ 3.94Å; F186-F216 HydrophobicContact CD2-CZ 3.94Å; F186-F216 AromaticContact CE1-CE1 3.88Å; F186-F216 HydrophobicContact CE1-CE1 3.88Å; F186-F216 AromaticContact CE1-CE2 3.69Å; F186-F216 HydrophobicContact CE1-CE2 3.69Å; F186-F216 AromaticContact CE1-CZ 3.28Å; F186-F216 HydrophobicContact CE1-CZ 3.28Å; F186-F216 AromaticContact CE2-CE1 3.76Å; F186-F216 HydrophobicContact CE2-CE1 3.76Å; F186-F216 AromaticContact CE2-CZ 3.9Å; F186-F216 HydrophobicContact CE2-CZ 3.9Å; F186-F216 AromaticContact CG-CD1 3.7Å; F186-F216 HydrophobicContact CG-CD1 3.7Å; F186-F216 HydrophobicContact CG-CD2 4.45Å; F186-F216 AromaticContact CG-CE1 3.43Å; F186-F216 HydrophobicContact CG-CE1 3.43Å; F186-F216 VanDerWaalsContact CG-CE1 3.43Å; F186-F216 HydrophobicContact CG-CE2 4.22Å; F186-F216 HydrophobicContact CG-CG 4.21Å; F186-F216 AromaticContact CG-CZ 3.72Å; F186-F216 HydrophobicContact CG-CZ 3.72Å; F186-F216 AromaticContact CZ-CE1 3.96Å; F186-F216 HydrophobicContact CZ-CE1 3.96Å; F186-F216 HydrophobicContact CZ-CE2 4.42Å; F186-F216 AromaticContact CZ-CZ 3.59Å; F186-F216 HydrophobicContact CZ-CZ 3.59Å; V208-F216 HydrophobicContact CG1-CB 3.95Å; V208-F216 HydrophobicContact CG2-CD2 4.3Å; D210-F216 CarbonylContact O-C 3.54Å; D210-F216 WeakPolarHBondContact O-CA 3.37Å; D210-F216 VanDerWaalsContact O-CB 3.27Å; D210-F216 WeakPolarHBondContact O-CB 3.33Å; V211-F216 HydrophobicContact CG2-CB 4.13Å; F216-V218 HydrophobicContact CD2-CG2 4Å; F216-V218 HydrophobicContact CE2-CG2 3.95Å; F216-W230 VanDerWaalsContact C-CE3 3.46Å; F216-W230 WeakPolarHBondContact O-CA 3.49Å; F216-C231 VanDerWaalsContact CE2-SG 3.52Å; F216-C231 PolarHBondContact N-O 2.07Å; F216-C231 PolarHBondContact O-N 3.45Å; F216-I238 HydrophobicContact CE2-CD1 3.89Å; F216-I238 HydrophobicContact CZ-CD1 3.5Å; F216-I238 VanDerWaalsContact CZ-CD1 3.5Å
217	L	98.4	Very high	95.9	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	122.6	177	-173.2	61.4	0	0	0	109.4	P93 V208 T209 D210 D228 W230	P93-L217 HydrophobicContact CB-CD1 4.21Å; V208-L217 WeakPolarHBondContact CA-O 3.22Å; T209-L217 PolarHBondContact N-O 3.48Å; T209-L217 WeakPolarHBondContact OG1-CD2 3.25Å; T209-L217 WeakPolarHBondContact OG1-CG 3.07Å; T209-L217 PolarHBondContact OG1-O 2.93Å; D210-L217 HydrophobicContact CB-CB 3.73Å; D210-L217 HydrophobicContact CB-CD2 4.14Å; D210-L217 PolarHBondContact O-N 2.79Å; L217-D228 HydrophobicContact CD1-CB 3.84Å; L217-D228 HydrophobicContact CG-CB 4.27Å; L217-W230 HydrophobicContact CB-CD2 4.23Å; L217-W230 HydrophobicContact CB-CE3 4.31Å; L217-W230 HydrophobicContact CB-CH2 4.08Å; L217-W230 HydrophobicContact CB-CZ2 3.98Å; L217-W230 HydrophobicContact CB-CZ3 4.25Å; L217-W230 HydrophobicContact CD1-CD2 4.26Å; L217-W230 HydrophobicContact CD1-CG 4.2Å; L217-W230 HydrophobicContact CD2-CZ2 4.41Å
218	V	98.8	Very high	95.9	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	121.1	173	177.4	0	0	0	0	108.5	L192 A194 A206 F216 D228 Y229 C231 I238	L192-V218 HydrophobicContact CD1-CG1 4.48Å; L192-V218 HydrophobicContact CD1-CG2 4.35Å; A194-V218 HydrophobicContact CB-CG1 3.68Å; A206-V218 HydrophobicContact CB-CG1 3.97Å; F216-V218 HydrophobicContact CD2-CG2 4Å; F216-V218 HydrophobicContact CE2-CG2 3.95Å; V218-D228 WeakPolarHBondContact O-CA 3.47Å; V218-D228 WeakPolarHBondContact O-CB 3.4Å; V218-Y229 HydrophobicContact CB-CD2 4.4Å; V218-Y229 HydrophobicContact CB-CE2 4.21Å; V218-Y229 HydrophobicContact CG2-CE2 4.29Å; V218-Y229 PolarHBondContact N-O 3.19Å; V218-Y229 PolarHBondContact O-N 3.27Å; V218-C231 VanDerWaalsContact CG2-SG 3.59Å; V218-I238 HydrophobicContact CG2-CG2 4Å
219	H	98.8	Very high	95.9	Very high	37 Å²	37	37.2 Å²	37.2	17%	0.171	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	143.7	177.1	172.1	64.2	0	0	0	111.5	A206 T207 T209 D228	A206-H219 CarbonylContact C-O 3.55Å; A206-H219 WeakPolarHBondContact CA-O 3.49Å; A206-H219 WeakPolarHBondContact CB-O 3.4Å; T207-H219 PolarHBondContact N-O 3.12Å; T207-H219 PolarHBondContact O-N 3.25Å; T209-H219 HydrophobicContact CG2-CB 3.38Å; T209-H219 WeakPolarHBondContact OG1-CB 3.41Å; H219-D228 WeakPolarHBondContact CA-OD1 3.39Å; H219-D228 WeakPolarHBondContact CB-OD2 3.33Å; H219-D228 IonicContact CE1-OD1 2.97Å; H219-D228 IonicContact CG-OD1 3.94Å; H219-D228 IonicContact CG-OD2 3.71Å; H219-D228 IonicContact ND1-OD1 2.77Å; H219-D228 PolarHBondContact ND1-OD1 2.76Å; H219-D228 IonicContact ND1-OD2 2.75Å; H219-D228 PolarHBondContact ND1-OD2 3.35Å
220	F	98.6	Very high	95.9	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.013	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	121.8	178.6	-69	-73.3	0	0	0	112	A194 D196 C204 A206 N222 W223 Y227 Y229	A194-F220 HydrophobicContact CB-CE1 3.87Å; A194-F220 HydrophobicContact CB-CZ 4.17Å; D196-F220 HydrophobicContact CB-CZ 4.31Å; C204-F220 HydrophobicContact CB-CD1 3.51Å; C204-F220 HydrophobicContact CB-CE1 3.68Å; A206-F220 HydrophobicContact CB-CD1 4.16Å; A206-F220 HydrophobicContact CB-CE1 4.33Å; F220-N222 PolarHBondContact O-N 2.87Å; F220-W223 HydrophobicContact CB-CB 3.93Å; F220-W223 HydrophobicContact CB-CG 4.05Å; F220-W223 WeakPolarHBondContact O-CB 3.48Å; F220-W223 PolarHBondContact O-N 2.93Å; F220-Y227 WeakPolarHBondContact CE2-O 3.4Å; F220-Y229 HydrophobicContact CE2-CD1 4.25Å; F220-Y229 AromaticContact CE2-CE1 3.87Å; F220-Y229 HydrophobicContact CE2-CE1 3.87Å; F220-Y229 AromaticContact CZ-CE1 3.83Å; F220-Y229 HydrophobicContact CZ-CE1 3.83Å
221	D	98.2	Very high	95.9	Very high	5 Å²	5	35.5 Å²	35.5	3%	0.027	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	125.6	-165.9	-75.8	9.1	0	0	0	113	K191 V205 T207 W223 P254 Q255 Y268	K191-D221 IonicContact NZ-OD1 3.77Å; K191-D221 IonicContact NZ-OD2 3.79Å; K191-D221 PolarHBondContact NZ-OD2 2.96Å; V205-D221 HydrophobicContact CG1-CB 4.11Å; V205-D221 WeakPolarHBondContact CG1-OD2 3.44Å; V205-D221 PolarHBondContact O-N 2.79Å; V205-D221 VanDerWaalsContact O-N 3.13Å; T207-D221 WeakPolarHBondContact CB-OD1 3.5Å; T207-D221 PolarHBondContact N-OD1 3.22Å; T207-D221 PolarHBondContact OG1-OD1 3.09Å; T207-D221 PolarHBondContact OG1-OD2 3.1Å; D221-W223 VanDerWaalsContact O-CD1 3.28Å; D221-W223 PolarHBondContact O-N 3.23Å; D221-P254 HydrophobicContact CB-CB 3.83Å; D221-P254 HydrophobicContact CB-CG 3.82Å; D221-P254 WeakPolarHBondContact O-CA 3.35Å; D221-P254 WeakPolarHBondContact O-CB 3.37Å; D221-Q255 PolarHBondContact O-N 2.78Å; D221-Q255 VanDerWaalsContact O-N 3.08Å; D221-Y268 VanDerWaalsContact OD2-CE1 3.26Å; D221-Y268 WeakPolarHBondContact OD2-CE1 3.35Å; D221-Y268 PolarHBondContact OD2-OH 3.11Å; D221-Y268 VanDerWaalsContact OD2-OH 3.04Å
222	N	96.3	Very high	95.9	Very high	102 Å²	102	36.8 Å²	36.8	55%	0.545	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	4.1	-173.1	-60.6	-2	0	0	0	116	F220 P254 Q255	F220-N222 PolarHBondContact O-N 2.87Å; N222-P254 HydrophobicContact CB-CB 4.32Å; N222-Q255 HydrophobicContact CB-CB 3.89Å; N222-Q255 WeakPolarHBondContact CB-O 3.45Å; N222-Q255 PolarHBondContact ND2-O 3.14Å
223	W	95.1	Very high	96	Very high	89 Å²	89	37.4 Å²	37.4	34%	0.337	19%	0.186	S	C	.	.	S	Bend	trans	-86.4	176.2	172.9	-66.7	84.7	0	0	0	111.6	F220 D221 Y227 Q255	F220-W223 HydrophobicContact CB-CB 3.93Å; F220-W223 HydrophobicContact CB-CG 4.05Å; F220-W223 WeakPolarHBondContact O-CB 3.48Å; F220-W223 PolarHBondContact O-N 2.93Å; D221-W223 VanDerWaalsContact O-CD1 3.28Å; D221-W223 PolarHBondContact O-N 3.23Å; W223-Y227 HydrophobicContact CE3-CE2 4.49Å; W223-Q255 HydrophobicContact CD2-CB 4.11Å; W223-Q255 VanDerWaalsContact CE3-OE1 3.28Å; W223-Q255 HydrophobicContact CG-CB 4.22Å; W223-Q255 HydrophobicContact CZ2-CB 4.34Å; W223-Q255 HydrophobicContact CZ2-CG 4.44Å
224	D	93.3	Very high	96.3	Very high	88 Å²	88	37.9 Å²	37.9	47%	0.471	19%	0.191	S	C	.	.			trans	-77.6	149.9	173.9	-170.9	-90.2	0	0	0	110.9	T226 Y227	D224-T226 PolarHBondContact O-N 3.09Å; D224-T226 WeakPolarHBondContact OD1-CB 3.49Å; D224-T226 VanDerWaalsContact OD1-CG2 3.29Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.31Å; D224-T226 PolarHBondContact OD1-N 2.81Å; D224-T226 VanDerWaalsContact OD1-N 3.12Å; D224-T226 PolarHBondContact OD1-OG1 2.87Å; D224-Y227 HydrophobicContact CB-CD2 4.36Å; D224-Y227 HydrophobicContact CB-CE2 4.43Å; D224-Y227 WeakPolarHBondContact O-CD2 3.17Å; D224-Y227 PolarHBondContact O-N 2.99Å
225	D	92.8	Very high	96.7	Very high	59 Å²	59	33.4 Å²	33.4	32%	0.316	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-79.5	-2.1	-174.5	62.6	-17.6	0	0	0	114.4	S94 Y227 D228	S94-D225 WeakPolarHBondContact CB-OD2 3.48Å; S94-D225 VanDerWaalsContact OG-CG 3.3Å; S94-D225 PolarHBondContact OG-OD2 3.27Å; D225-Y227 PolarHBondContact O-N 3.04Å; D225-D228 WeakPolarHBondContact O-CB 3.28Å; D225-D228 PolarHBondContact O-N 3.34Å
226	T	93.6	Very high	96.8	Very high	43 Å²	43	32.3 Å²	32.3	26%	0.264	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-63.2	-13.9	163.8	50.2	0	0	0	0	114.5	H92 D224	H92-T226 WeakPolarHBondContact CD2-CG2 3.46Å; H92-T226 WeakPolarHBondContact NE2-CG2 3.25Å; D224-T226 PolarHBondContact O-N 3.09Å; D224-T226 WeakPolarHBondContact OD1-CB 3.49Å; D224-T226 VanDerWaalsContact OD1-CG2 3.29Å; D224-T226 WeakPolarHBondContact OD1-CG2 3.31Å; D224-T226 PolarHBondContact OD1-N 2.81Å; D224-T226 VanDerWaalsContact OD1-N 3.12Å; D224-T226 PolarHBondContact OD1-OG1 2.87Å
227	Y	95.3	Very high	96.8	Very high	73 Å²	73	34 Å²	34	29%	0.286	17%	0.172	S	C	.	.	G	3₁₀ helix	trans	-93.4	-11.5	174.7	-65.1	-97.3	0	0	0	113.2	M198 F220 W223 D224 D225	M198-Y227 HydrophobicContact CB-CD1 4.35Å; M198-Y227 HydrophobicContact CB-CE1 4.33Å; M198-Y227 HydrophobicContact CG-CD1 4.19Å; M198-Y227 HydrophobicContact CG-CE1 4.44Å; F220-Y227 WeakPolarHBondContact CE2-O 3.4Å; W223-Y227 HydrophobicContact CE3-CE2 4.49Å; D224-Y227 HydrophobicContact CB-CD2 4.36Å; D224-Y227 HydrophobicContact CB-CE2 4.43Å; D224-Y227 WeakPolarHBondContact O-CD2 3.17Å; D224-Y227 PolarHBondContact O-N 2.99Å; D225-Y227 PolarHBondContact O-N 3.04Å
228	D	98.1	Very high	96.8	Very high	9 Å²	9	33.9 Å²	33.9	5%	0.048	17%	0.171	C	C	.	.			trans	-65.6	151.5	-176.6	-71	20.2	0	0	0	111.4	P93 L217 V218 H219 D225	P93-D228 WeakPolarHBondContact CG-O 3.35Å; L217-D228 HydrophobicContact CD1-CB 3.84Å; L217-D228 HydrophobicContact CG-CB 4.27Å; V218-D228 WeakPolarHBondContact O-CA 3.47Å; V218-D228 WeakPolarHBondContact O-CB 3.4Å; H219-D228 WeakPolarHBondContact CA-OD1 3.39Å; H219-D228 WeakPolarHBondContact CB-OD2 3.33Å; H219-D228 IonicContact CE1-OD1 2.97Å; H219-D228 IonicContact CG-OD1 3.94Å; H219-D228 IonicContact CG-OD2 3.71Å; H219-D228 IonicContact ND1-OD1 2.77Å; H219-D228 PolarHBondContact ND1-OD1 2.76Å; H219-D228 IonicContact ND1-OD2 2.75Å; H219-D228 PolarHBondContact ND1-OD2 3.35Å; D225-D228 WeakPolarHBondContact O-CB 3.28Å; D225-D228 PolarHBondContact O-N 3.34Å
229	Y	98.4	Very high	96.8	Very high	14 Å²	14	34.7 Å²	34.7	6%	0.055	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	145.5	171.5	59.3	-96.8	0	0	0	114	V195 R197 V218 F220 C231 Y237	V195-Y229 WeakPolarHBondContact O-CE1 3.41Å; V195-Y229 PolarHBondContact O-OH 2.78Å; R197-Y229 HydrophobicContact CG-CD1 4.07Å; R197-Y229 HydrophobicContact CG-CE1 3.81Å; V218-Y229 HydrophobicContact CB-CD2 4.4Å; V218-Y229 HydrophobicContact CB-CE2 4.21Å; V218-Y229 HydrophobicContact CG2-CE2 4.29Å; V218-Y229 PolarHBondContact N-O 3.19Å; V218-Y229 PolarHBondContact O-N 3.27Å; F220-Y229 HydrophobicContact CE2-CD1 4.25Å; F220-Y229 AromaticContact CE2-CE1 3.87Å; F220-Y229 HydrophobicContact CE2-CE1 3.87Å; F220-Y229 AromaticContact CZ-CE1 3.83Å; F220-Y229 HydrophobicContact CZ-CE1 3.83Å; Y229-C231 HydrophobicContact CD2-CB 4.2Å; Y229-C231 HydrophobicContact CE2-CB 4.26Å; Y229-Y237 PolarHBondContact OH-O 3.28Å
230	W	97.9	Very high	96.8	Very high	30 Å²	30	34.4 Å²	34.4	11%	0.114	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	134.5	169.9	-71.3	93.7	0	0	0	110.8	P93 Y96 D210 V212 R215 F216 L217	P93-W230 PolarHBondContact O-NE1 2.82Å; Y96-W230 WeakPolarHBondContact OH-CZ2 3.05Å; D210-W230 HydrophobicContact CB-CH2 3.78Å; D210-W230 HydrophobicContact CB-CZ2 4.24Å; V212-W230 HydrophobicContact CB-CH2 4.01Å; V212-W230 HydrophobicContact CB-CZ3 3.95Å; V212-W230 HydrophobicContact CG2-CH2 3.7Å; V212-W230 HydrophobicContact CG2-CZ3 4.14Å; R215-W230 HydrophobicContact CB-CE3 4.01Å; F216-W230 VanDerWaalsContact C-CE3 3.46Å; F216-W230 WeakPolarHBondContact O-CA 3.49Å; L217-W230 HydrophobicContact CB-CD2 4.23Å; L217-W230 HydrophobicContact CB-CE3 4.31Å; L217-W230 HydrophobicContact CB-CH2 4.08Å; L217-W230 HydrophobicContact CB-CZ2 3.98Å; L217-W230 HydrophobicContact CB-CZ3 4.25Å; L217-W230 HydrophobicContact CD1-CD2 4.26Å; L217-W230 HydrophobicContact CD1-CG 4.2Å; L217-W230 HydrophobicContact CD2-CZ2 4.41Å
231	C	97.1	Very high	96.8	Very high	13 Å²	13	36.1 Å²	36.1	9%	0.088	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	174.5	168.8	67.4	0	0	0	0	112.1	R215 F216 V218 Y229	R215-C231 CarbonylContact C-O 3.6Å; R215-C231 WeakPolarHBondContact CA-O 3.49Å; F216-C231 VanDerWaalsContact CE2-SG 3.52Å; F216-C231 PolarHBondContact N-O 2.07Å; F216-C231 PolarHBondContact O-N 3.45Å; V218-C231 VanDerWaalsContact CG2-SG 3.59Å; Y229-C231 HydrophobicContact CD2-CB 4.2Å; Y229-C231 HydrophobicContact CE2-CB 4.26Å
232	D	95.6	Very high	96.8	Very high	46 Å²	46	36.5 Å²	36.5	25%	0.246	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	174.2	175	76.8	105.3	0	0	0	111.8	S234 S235 I238	D232-S234 PolarHBondContact O-N 3.37Å; D232-S234 VanDerWaalsContact O-N 3.09Å; D232-S234 WeakPolarHBondContact OD1-CA 3.31Å; D232-S234 WeakPolarHBondContact OD1-CB 3.39Å; D232-S234 PolarHBondContact OD1-N 2.98Å; D232-S234 PolarHBondContact OD1-OG 2.71Å; D232-S234 PolarHBondContact OD2-OG 2.91Å; D232-S235 VanDerWaalsContact O-CB 3.3Å; D232-S235 WeakPolarHBondContact O-CB 3.41Å; D232-S235 PolarHBondContact O-N 3.49Å; D232-S235 VanDerWaalsContact O-N 3.1Å; D232-I238 WeakPolarHBondContact O-CD1 3.46Å
233	A	96.8	Very high	96.9	Very high	15 Å²	15	34.3 Å²	34.3	12%	0.124	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.7	-179.4	0	0	0	0	0	114.9	F186 K283	F186-A233 HydrophobicContact CD2-CB 4.38Å; F186-A233 HydrophobicContact CE2-CB 3.65Å; F186-A233 HydrophobicContact CZ-CB 4.38Å; A233-K283 HydrophobicContact CB-CG 4.44Å; A233-K283 PolarHBondContact O-N 3.29Å
234	S	96.4	Very high	97	Very high	29 Å²	29	30.1 Å²	30.1	20%	0.203	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-2.4	178.3	82.2	0	0	0	0	114.8	D232 K283 V284 R285	D232-S234 PolarHBondContact O-N 3.37Å; D232-S234 VanDerWaalsContact O-N 3.09Å; D232-S234 WeakPolarHBondContact OD1-CA 3.31Å; D232-S234 WeakPolarHBondContact OD1-CB 3.39Å; D232-S234 PolarHBondContact OD1-N 2.98Å; D232-S234 PolarHBondContact OD1-OG 2.71Å; D232-S234 PolarHBondContact OD2-OG 2.91Å; S234-K283 WeakPolarHBondContact CA-O 3.27Å; S234-K283 VanDerWaalsContact CB-O 3.31Å; S234-K283 WeakPolarHBondContact CB-O 3.48Å; S234-V284 WeakPolarHBondContact O-CA 2.94Å; S234-R285 WeakPolarHBondContact O-CG 3.33Å; S234-R285 PolarHBondContact O-N 3.36Å
235	S	97.8	Very high	97.2	Very high	6 Å²	6	33.4 Å²	33.4	4%	0.042	17%	0.172	C	C	.	.			trans	-54.7	133.3	177.7	171.3	0	0	0	0	112.2	D232 Y237 I238	D232-S235 VanDerWaalsContact O-CB 3.3Å; D232-S235 WeakPolarHBondContact O-CB 3.41Å; D232-S235 PolarHBondContact O-N 3.49Å; D232-S235 VanDerWaalsContact O-N 3.1Å; S235-Y237 PolarHBondContact O-N 2.92Å; S235-Y237 PolarHBondContact OG-N 3.09Å; S235-I238 WeakPolarHBondContact O-CG1 3.38Å
236	P	97.3	Very high	97.4	Very high	14 Å²	14	37.2 Å²	37.2	9%	0.091	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-7.1	177.1	34.6	-36.6	0	0	0	112.6	H239 V284 H318	P236-H239 PolarHBondContact O-CE1 3.43Å; P236-H239 VanDerWaalsContact O-CE1 3.29Å; P236-V284 HydrophobicContact CB-CG1 4.43Å; P236-H318 HydrophobicContact CB-CB 4.37Å; P236-H318 WeakPolarHBondContact CB-CD2 3.28Å; P236-H318 HydrophobicContact CG-CB 3.93Å
237	Y	98.4	Very high	97.6	Very high	36 Å²	36	40.4 Å²	40.4	14%	0.141	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	2.2	-175.1	-59.7	-55.4	0	0	0	113.6	A194 V195 Y229 S235 R319 D336	A194-Y237 CarbonylContact C-O 3.58Å; A194-Y237 WeakPolarHBondContact CA-O 3.39Å; V195-Y237 HydrophobicContact CB-CD1 3.99Å; V195-Y237 HydrophobicContact CB-CG 4.48Å; V195-Y237 HydrophobicContact CG1-CD1 4.18Å; V195-Y237 HydrophobicContact CG2-CD1 4.12Å; V195-Y237 PolarHBondContact N-O 3.42Å; Y229-Y237 PolarHBondContact OH-O 3.28Å; S235-Y237 PolarHBondContact O-N 2.92Å; S235-Y237 PolarHBondContact OG-N 3.09Å; Y237-R319 WeakPolarHBondContact OH-CD 3.46Å; Y237-R319 WeakPolarHBondContact OH-CG 3.32Å; Y237-D336 WeakPolarHBondContact CE2-OD1 3.27Å; Y237-D336 VanDerWaalsContact CZ-OD1 3.32Å; Y237-D336 PolarHBondContact OH-OD1 3.27Å
238	I	98.7	Very high	97.6	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	140.4	-178.2	58.2	172.1	0	0	0	111.5	F186 L192 A194 F216 V218 D232 S235 F282	F186-I238 HydrophobicContact CE1-CD1 4.11Å; F186-I238 HydrophobicContact CZ-CD1 4.06Å; L192-I238 HydrophobicContact CD1-CB 3.67Å; L192-I238 HydrophobicContact CD1-CG2 3.56Å; A194-I238 HydrophobicContact CB-CG2 4.44Å; F216-I238 HydrophobicContact CE2-CD1 3.89Å; F216-I238 HydrophobicContact CZ-CD1 3.5Å; F216-I238 VanDerWaalsContact CZ-CD1 3.5Å; V218-I238 HydrophobicContact CG2-CG2 4Å; D232-I238 WeakPolarHBondContact O-CD1 3.46Å; S235-I238 WeakPolarHBondContact O-CG1 3.38Å; I238-F282 HydrophobicContact CB-CD1 4.49Å; I238-F282 HydrophobicContact CB-CE1 4.13Å; I238-F282 HydrophobicContact CD1-CD1 4.19Å; I238-F282 HydrophobicContact CD1-CE1 4.29Å; I238-F282 HydrophobicContact CG1-CD1 4.08Å; I238-F282 HydrophobicContact CG1-CE1 4.18Å
239	H	98.6	Very high	97.5	Very high	18 Å²	18	47.5 Å²	47.5	8%	0.083	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	149.4	-171.3	-57.3	-26.5	0	0	0	111.4	E193 P236 W243 F282	E193-H239 HydrophobicContact CB-CB 4.1Å; E193-H239 PolarHBondContact N-O 2.79Å; E193-H239 PolarHBondContact O-N 2.89Å; P236-H239 PolarHBondContact O-CE1 3.43Å; P236-H239 VanDerWaalsContact O-CE1 3.29Å; H239-W243 HydrophobicContact CB-CB 3.73Å; H239-W243 HydrophobicContact CB-CD2 3.9Å; H239-W243 HydrophobicContact CB-CE3 4.42Å; H239-W243 HydrophobicContact CB-CG 3.59Å; H239-W243 AromaticContact CD2-CD2 3.41Å; H239-W243 VanDerWaalsContact CD2-CD2 3.41Å; H239-W243 AromaticContact CD2-CE2 3.62Å; H239-W243 AromaticContact CD2-CE3 3.33Å; H239-W243 AromaticContact CD2-CH2 3.77Å; H239-W243 AromaticContact CD2-CZ2 3.82Å; H239-W243 AromaticContact CD2-CZ3 3.53Å; H239-W243 AromaticContact CE1-CE2 3.98Å; H239-W243 AromaticContact CE1-CZ2 3.82Å; H239-W243 AromaticContact CG-CD2 3.6Å; H239-W243 AromaticContact CG-CE2 3.71Å; H239-W243 AromaticContact CG-CE3 3.99Å; H239-W243 AromaticContact CG-CG 3.83Å; H239-W243 AromaticContact CG-NE1 3.91Å; H239-W243 AromaticContact ND1-CE2 3.92Å; H239-W243 AromaticContact ND1-NE1 3.95Å; H239-W243 AromaticContact NE2-CE2 3.8Å; H239-W243 AromaticContact NE2-CE3 3.96Å; H239-W243 AromaticContact NE2-CH2 3.46Å; H239-W243 WeakPolarHBondContact NE2-CH2 3.47Å; H239-W243 AromaticContact NE2-CZ2 3.53Å; H239-W243 AromaticContact NE2-CZ3 3.68Å; H239-F282 VanDerWaalsContact C-CE1 3.41Å; H239-F282 VanDerWaalsContact C-CZ 3.48Å; H239-F282 WeakPolarHBondContact O-CZ 3.46Å
240	P	98.6	Very high	97.4	Very high	31 Å²	31	51.8 Å²	51.8	20%	0.201	27%	0.268	C	S	.	.			trans	-65.8	152.4	174.1	27.3	-34.4	0	0	0	112	G242 W243 A279 F282	P240-G242 PolarHBondContact O-N 3.12Å; P240-W243 HydrophobicContact CG-CB 4.41Å; P240-W243 WeakPolarHBondContact O-CB 3.29Å; P240-W243 PolarHBondContact O-N 3.01Å; P240-W243 VanDerWaalsContact O-N 3.09Å; P240-A279 HydrophobicContact CB-CB 3.98Å; P240-A279 HydrophobicContact CG-CB 4.36Å; P240-F282 HydrophobicContact CB-CD2 4.07Å; P240-F282 HydrophobicContact CB-CE2 3.7Å; P240-F282 HydrophobicContact CB-CZ 4.24Å; P240-F282 HydrophobicContact CG-CD2 4.46Å; P240-F282 HydrophobicContact CG-CE2 4.48Å
241	V	98.6	Very high	97.4	Very high	39 Å²	39	52.4 Å²	52.4	24%	0.236	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	122.2	174	164	0	0	0	0	111.1	W265 L269 A276	V241-W265 HydrophobicContact CB-CD2 4.36Å; V241-W265 HydrophobicContact CG1-CB 3.75Å; V241-W265 HydrophobicContact CG1-CD2 3.56Å; V241-W265 HydrophobicContact CG1-CE3 4.03Å; V241-W265 HydrophobicContact CG1-CG 3.46Å; V241-W265 VanDerWaalsContact CG1-CG 3.46Å; V241-W265 HydrophobicContact CG2-CD2 4.08Å; V241-W265 HydrophobicContact CG2-CE3 4.03Å; V241-W265 HydrophobicContact CG2-CH2 3.86Å; V241-W265 HydrophobicContact CG2-CZ2 3.92Å; V241-W265 HydrophobicContact CG2-CZ3 3.92Å; V241-L269 HydrophobicContact CG1-CD1 4.48Å; V241-A276 HydrophobicContact CB-CB 3.78Å; V241-A276 HydrophobicContact CG1-CB 4.36Å; V241-A276 HydrophobicContact CG2-CB 3.6Å
242	G	97.8	Very high	97.5	Very high	13 Å²	13	53.4 Å²	53.4	13%	0.134	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	102.2	-7.2	-178	0	0	0	0	0	115	E193 P240 C244 Q245 E246	E193-G242 WeakPolarHBondContact OE1-CA 3.27Å; E193-G242 PolarHBondContact OE1-N 3.17Å; P240-G242 PolarHBondContact O-N 3.12Å; G242-C244 PolarHBondContact O-N 2.88Å; G242-Q245 WeakPolarHBondContact O-CB 3.21Å; G242-Q245 PolarHBondContact O-N 3.17Å; G242-E246 PolarHBondContact O-N 2.83Å
243	W	98.4	Very high	97.6	Very high	56 Å²	56	52.3 Å²	52.3	21%	0.212	27%	0.274	C	S	.	.	H	α-helix	trans	-59.3	-40.5	-175.5	-178	106.6	0	0	0	113.3	E193 I203 H239 P240 R247 L249	E193-W243 PolarHBondContact OE2-N 3.05Å; I203-W243 HydrophobicContact CD1-CE3 4.3Å; I203-W243 HydrophobicContact CD1-CH2 4.26Å; I203-W243 HydrophobicContact CD1-CZ3 3.53Å; H239-W243 HydrophobicContact CB-CB 3.73Å; H239-W243 HydrophobicContact CB-CD2 3.9Å; H239-W243 HydrophobicContact CB-CE3 4.42Å; H239-W243 HydrophobicContact CB-CG 3.59Å; H239-W243 AromaticContact CD2-CD2 3.41Å; H239-W243 VanDerWaalsContact CD2-CD2 3.41Å; H239-W243 AromaticContact CD2-CE2 3.62Å; H239-W243 AromaticContact CD2-CE3 3.33Å; H239-W243 AromaticContact CD2-CH2 3.77Å; H239-W243 AromaticContact CD2-CZ2 3.82Å; H239-W243 AromaticContact CD2-CZ3 3.53Å; H239-W243 AromaticContact CE1-CE2 3.98Å; H239-W243 AromaticContact CE1-CZ2 3.82Å; H239-W243 AromaticContact CG-CD2 3.6Å; H239-W243 AromaticContact CG-CE2 3.71Å; H239-W243 AromaticContact CG-CE3 3.99Å; H239-W243 AromaticContact CG-CG 3.83Å; H239-W243 AromaticContact CG-NE1 3.91Å; H239-W243 AromaticContact ND1-CE2 3.92Å; H239-W243 AromaticContact ND1-NE1 3.95Å; H239-W243 AromaticContact NE2-CE2 3.8Å; H239-W243 AromaticContact NE2-CE3 3.96Å; H239-W243 AromaticContact NE2-CH2 3.46Å; H239-W243 WeakPolarHBondContact NE2-CH2 3.47Å; H239-W243 AromaticContact NE2-CZ2 3.53Å; H239-W243 AromaticContact NE2-CZ3 3.68Å; P240-W243 HydrophobicContact CG-CB 4.41Å; P240-W243 WeakPolarHBondContact O-CB 3.29Å; P240-W243 PolarHBondContact O-N 3.01Å; P240-W243 VanDerWaalsContact O-N 3.09Å; W243-R247 VanDerWaalsContact CD1-CZ 3.41Å; W243-R247 VanDerWaalsContact CE2-CD 3.44Å; W243-R247 VanDerWaalsContact CE2-NE 3.27Å; W243-R247 WeakPolarHBondContact O-CD 3.35Å; W243-R247 PolarHBondContact O-N 3.34Å; W243-R247 PolarHBondContact O-NH1 3.25Å; W243-L249 HydrophobicContact CE3-CD1 4.37Å; W243-L249 HydrophobicContact CH2-CD1 3.87Å; W243-L249 HydrophobicContact CZ3-CD1 3.44Å; W243-L249 VanDerWaalsContact CZ3-CD1 3.44Å
244	C	98.1	Very high	97.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-64.9	-40.8	173.6	-88.5	0	0	0	0	111.8	E193 G242 R247 N248 L249 L251	E193-C244 WeakPolarHBondContact OE2-CB 3.31Å; E193-C244 PolarHBondContact OE2-N 3.46Å; G242-C244 PolarHBondContact O-N 2.88Å; C244-R247 CarbonylContact O-C 3.56Å; C244-R247 PolarHBondContact O-N 2.92Å; C244-R247 VanDerWaalsContact O-N 3.16Å; C244-N248 PolarHBondContact O-N 2.93Å; C244-L249 HydrophobicContact CB-CB 4.21Å; C244-L249 PolarHBondContact O-N 2.87Å; C244-L251 HydrophobicContact CB-CB 4.12Å
245	Q	96.6	Very high	97.5	Very high	157 Å²	157	53.9 Å²	53.9	73%	0.734	28%	0.276	S	S	*	.	H	α-helix	trans	-63.8	-43.6	179.1	-174.6	-179.2	-7.8	0	0	111.6	G242 R247 N248	G242-Q245 WeakPolarHBondContact O-CB 3.21Å; G242-Q245 PolarHBondContact O-N 3.17Å; Q245-R247 PolarHBondContact O-N 3.44Å; Q245-N248 PolarHBondContact O-N 2.83Å
246	E	97.4	Very high	97.3	Very high	140 Å²	140	60.7 Å²	60.7	65%	0.654	31%	0.312	S	S	*	.	H	α-helix	trans	-58.3	-32.5	174.2	-70.5	-179	161.5	0	0	112.9	G242	G242-E246 PolarHBondContact O-N 2.83Å
247	R	97.3	Very high	97.1	Very high	110 Å²	110	60.8 Å²	60.8	42%	0.415	31%	0.31	S	S	.	.	H	α-helix	trans	-98.9	-0.6	-173.7	-72.5	159	-168.2	70	8	113.8	W243 C244 Q245 L249	W243-R247 VanDerWaalsContact CD1-CZ 3.41Å; W243-R247 VanDerWaalsContact CE2-CD 3.44Å; W243-R247 VanDerWaalsContact CE2-NE 3.27Å; W243-R247 WeakPolarHBondContact O-CD 3.35Å; W243-R247 PolarHBondContact O-N 3.34Å; W243-R247 PolarHBondContact O-NH1 3.25Å; C244-R247 CarbonylContact O-C 3.56Å; C244-R247 PolarHBondContact O-N 2.92Å; C244-R247 VanDerWaalsContact O-N 3.16Å; Q245-R247 PolarHBondContact O-N 3.44Å; R247-L249 HydrophobicContact CB-CD1 3.78Å; R247-L249 HydrophobicContact CB-CG 3.9Å; R247-L249 PolarHBondContact O-N 3.25Å
248	N	96.4	Very high	96.7	Very high	152 Å²	152	63 Å²	63	81%	0.813	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	33.4	-172.4	-52.8	-90.7	0	0	0	112.9	C244 Q245	C244-N248 PolarHBondContact O-N 2.93Å; Q245-N248 PolarHBondContact O-N 2.83Å
249	L	96.1	Very high	96.3	Very high	78 Å²	78	68.5 Å²	68.5	41%	0.408	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-94.2	148.1	176.6	-67.1	171.6	0	0	0	110.5	W243 C244 R247 L251	W243-L249 HydrophobicContact CE3-CD1 4.37Å; W243-L249 HydrophobicContact CH2-CD1 3.87Å; W243-L249 HydrophobicContact CZ3-CD1 3.44Å; W243-L249 VanDerWaalsContact CZ3-CD1 3.44Å; C244-L249 HydrophobicContact CB-CB 4.21Å; C244-L249 PolarHBondContact O-N 2.87Å; R247-L249 HydrophobicContact CB-CD1 3.78Å; R247-L249 HydrophobicContact CB-CG 3.9Å; R247-L249 PolarHBondContact O-N 3.25Å; L249-L251 PolarHBondContact O-N 3.28Å
250	P	96.3	Very high	95.8	Very high	105 Å²	105	71.4 Å²	71.4	68%	0.682	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-68.9	131.5	175.5	29.5	-33.7	0	0	0	110.4
251	L	98.1	Very high	95.3	Very high	42 Å²	42	73.9 Å²	73.9	22%	0.22	41%	0.411	C	S	.	.	P	Polyproline II helix	trans	-102.8	126.6	169	177	65.2	0	0	0	109	E193 V205 C244 L249 P253 F263 W265	E193-L251 HydrophobicContact CB-CD1 4.48Å; E193-L251 HydrophobicContact CG-CD1 3.83Å; E193-L251 HydrophobicContact CG-CD2 4.49Å; V205-L251 HydrophobicContact CG2-CD1 4.15Å; V205-L251 HydrophobicContact CG2-CD2 3.91Å; V205-L251 HydrophobicContact CG2-CG 4.05Å; C244-L251 HydrophobicContact CB-CB 4.12Å; L249-L251 PolarHBondContact O-N 3.28Å; L251-P253 WeakPolarHBondContact O-CD 3.39Å; L251-F263 HydrophobicContact CD2-CD1 4.03Å; L251-F263 HydrophobicContact CD2-CE1 3.74Å; L251-W265 HydrophobicContact CD2-CZ2 4.34Å; L251-W265 VanDerWaalsContact CD2-NE1 3.25Å
252	T	98.1	Very high	95	Very high	34 Å²	34	78.9 Å²	78.9	21%	0.209	43%	0.431	C	S	.	.	B	Isolated β-bridge	trans	-79	116.3	171.8	-54.2	0	0	0	0	108.9	I203 C204 V205	I203-T252 PolarHBondContact O-N 3.09Å; I203-T252 PolarHBondContact O-OG1 2.64Å; C204-T252 WeakPolarHBondContact CA-O 3.5Å; C204-T252 VanDerWaalsContact SG-CB 3.54Å; V205-T252 PolarHBondContact N-O 2.88Å
253	P	97.7	Very high	95	Very high	23 Å²	23	80 Å²	80	15%	0.149	43%	0.433	C	S	.	.	P	Polyproline II helix	trans	-72.1	173.5	176.4	31.5	-34.3	0	0	0	111.5	L251 P260 F263	L251-P253 WeakPolarHBondContact O-CD 3.39Å; P253-P260 HydrophobicContact CG-CB 3.85Å; P253-F263 HydrophobicContact CB-CB 3.86Å; P253-F263 HydrophobicContact CB-CD2 3.73Å; P253-F263 HydrophobicContact CB-CE2 4.48Å; P253-F263 HydrophobicContact CB-CG 3.79Å
254	P	97.3	Very high	94.9	Very high	4 Å²	4	79.7 Å²	79.7	3%	0.026	44%	0.439	C	S	.	.	S	Bend	trans	-53.2	150.6	174.5	-25.5	34.3	0	0	0	112.5	V205 D221 N222 D256 Y257 F263 Y268	V205-P254 HydrophobicContact CB-CG 4.19Å; V205-P254 HydrophobicContact CG1-CG 3.79Å; D221-P254 HydrophobicContact CB-CB 3.83Å; D221-P254 HydrophobicContact CB-CG 3.82Å; D221-P254 WeakPolarHBondContact O-CA 3.35Å; D221-P254 WeakPolarHBondContact O-CB 3.37Å; N222-P254 HydrophobicContact CB-CB 4.32Å; P254-D256 PolarHBondContact O-N 3.4Å; P254-Y257 HydrophobicContact CG-CD2 4.26Å; P254-Y257 VanDerWaalsContact O-CB 3.31Å; P254-Y257 WeakPolarHBondContact O-CB 3.28Å; P254-Y257 PolarHBondContact O-N 2.95Å; P254-Y257 VanDerWaalsContact O-N 3.08Å; P254-F263 HydrophobicContact CG-CE2 4.42Å; P254-Y268 HydrophobicContact CG-CE1 3.96Å; P254-Y268 HydrophobicContact CG-CE2 4.04Å
255	Q	93.4	Very high	94.9	Very high	73 Å²	73	80.7 Å²	80.7	34%	0.341	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	134.7	176.1	-166.3	173.6	-17.1	0	0	110.7	D221 N222 W223 Y257	D221-Q255 PolarHBondContact O-N 2.78Å; D221-Q255 VanDerWaalsContact O-N 3.08Å; N222-Q255 HydrophobicContact CB-CB 3.89Å; N222-Q255 WeakPolarHBondContact CB-O 3.45Å; N222-Q255 PolarHBondContact ND2-O 3.14Å; W223-Q255 HydrophobicContact CD2-CB 4.11Å; W223-Q255 VanDerWaalsContact CE3-OE1 3.28Å; W223-Q255 HydrophobicContact CG-CB 4.22Å; W223-Q255 HydrophobicContact CZ2-CB 4.34Å; W223-Q255 HydrophobicContact CZ2-CG 4.44Å; Q255-Y257 PolarHBondContact O-N 3.16Å; Q255-Y257 VanDerWaalsContact O-N 3.16Å
256	D	93.2	Very high	94.9	Very high	150 Å²	150	77.4 Å²	77.4	80%	0.802	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.3	25.6	-175.9	-59	-37.1	0	0	0	115.6	P254	P254-D256 PolarHBondContact O-N 3.4Å
257	Y	93.6	Very high	94.9	Very high	15 Å²	15	76 Å²	76	6%	0.059	43%	0.426	C	S	.	.			trans	-60	133.5	174.9	-169.4	-98.1	0	0	0	111.9	P254 Q255 D259 P260 F263 Y268 E271	P254-Y257 HydrophobicContact CG-CD2 4.26Å; P254-Y257 VanDerWaalsContact O-CB 3.31Å; P254-Y257 WeakPolarHBondContact O-CB 3.28Å; P254-Y257 PolarHBondContact O-N 2.95Å; P254-Y257 VanDerWaalsContact O-N 3.08Å; Q255-Y257 PolarHBondContact O-N 3.16Å; Q255-Y257 VanDerWaalsContact O-N 3.16Å; Y257-D259 PolarHBondContact O-N 2.89Å; Y257-P260 VanDerWaalsContact O-CD 3.29Å; Y257-P260 WeakPolarHBondContact O-CD 3.45Å; Y257-P260 WeakPolarHBondContact O-CG 3.47Å; Y257-F263 HydrophobicContact CD1-CB 4.41Å; Y257-F263 AromaticContact CD1-CD2 3.9Å; Y257-F263 HydrophobicContact CD1-CD2 3.9Å; Y257-F263 HydrophobicContact CE1-CB 4.44Å; Y257-F263 AromaticContact CE1-CD2 3.85Å; Y257-F263 HydrophobicContact CE1-CD2 3.85Å; Y257-F263 HydrophobicContact CE2-CD2 4.48Å; Y257-F263 HydrophobicContact CG-CD2 4.25Å; Y257-Y268 HydrophobicContact CD2-CD2 4.26Å; Y257-Y268 HydrophobicContact CD2-CE2 4.2Å; Y257-Y268 AromaticContact CE2-CD2 3.57Å; Y257-Y268 HydrophobicContact CE2-CD2 3.57Å; Y257-Y268 AromaticContact CE2-CE2 3.88Å; Y257-Y268 HydrophobicContact CE2-CE2 3.88Å; Y257-E271 PolarHBondContact OH-OE2 3.38Å
258	P	90.9	Very high	95	Very high	84 Å²	84	71.7 Å²	71.7	55%	0.545	41%	0.41	S	S	.	.	S	Bend	trans	-61	129.3	179.6	-24.8	34.9	0	0	0	113.2
259	D	90.4	Very high	95	Very high	114 Å²	114	66 Å²	66	61%	0.61	38%	0.379	S	S	*	.	S	Bend	trans	49.3	68.2	-175.9	-62.5	-50.4	0	0	0	113.3	Y257 G261 Q262	Y257-D259 PolarHBondContact O-N 2.89Å; D259-G261 VanDerWaalsContact C-N 3.26Å; D259-G261 PolarHBondContact O-N 2.97Å; D259-Q262 HydrophobicContact CB-CB 4.38Å; D259-Q262 WeakPolarHBondContact O-CA 3.46Å; D259-Q262 PolarHBondContact O-N 3.36Å
260	P	87.3	Confident	95.1	Very high	79 Å²	79	70.2 Å²	70.2	51%	0.513	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-50.2	-38.3	-172	-30.9	36.4	0	0	0	115.4	P253 Y257 Q262 F263	P253-P260 HydrophobicContact CG-CB 3.85Å; Y257-P260 VanDerWaalsContact O-CD 3.29Å; Y257-P260 WeakPolarHBondContact O-CD 3.45Å; Y257-P260 WeakPolarHBondContact O-CG 3.47Å; P260-Q262 PolarHBondContact O-N 2.83Å; P260-Q262 VanDerWaalsContact O-N 3.13Å; P260-F263 WeakPolarHBondContact O-CB 3.36Å; P260-F263 PolarHBondContact O-N 3.35Å
261	G	88.5	Confident	95.1	Very high	84 Å²	84	69.2 Å²	69.2	87%	0.866	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-71.1	2.2	177	0	0	0	0	0	115.4	D259	D259-G261 VanDerWaalsContact C-N 3.26Å; D259-G261 PolarHBondContact O-N 2.97Å
262	Q	92.1	Very high	95.1	Very high	143 Å²	143	68.7 Å²	68.7	67%	0.668	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-122.7	17.3	173.3	-60.1	-175.2	44.4	0	0	112.1	D259 P260 S264	D259-Q262 HydrophobicContact CB-CB 4.38Å; D259-Q262 WeakPolarHBondContact O-CA 3.46Å; D259-Q262 PolarHBondContact O-N 3.36Å; P260-Q262 PolarHBondContact O-N 2.83Å; P260-Q262 VanDerWaalsContact O-N 3.13Å; Q262-S264 PolarHBondContact O-N 2.84Å
263	F	97.2	Very high	95.1	Very high	38 Å²	38	70.2 Å²	70.2	17%	0.167	40%	0.404	C	S	.	.			trans	-54.4	138.1	173.4	177.7	-93.7	0	0	0	111.2	V205 L251 P253 P254 Y257 P260 W265 Y268	V205-F263 HydrophobicContact CB-CZ 4.49Å; V205-F263 HydrophobicContact CG1-CZ 4.26Å; V205-F263 HydrophobicContact CG2-CD1 4.44Å; V205-F263 HydrophobicContact CG2-CE1 3.67Å; V205-F263 HydrophobicContact CG2-CE2 4.03Å; V205-F263 HydrophobicContact CG2-CZ 3.44Å; V205-F263 VanDerWaalsContact CG2-CZ 3.44Å; L251-F263 HydrophobicContact CD2-CD1 4.03Å; L251-F263 HydrophobicContact CD2-CE1 3.74Å; P253-F263 HydrophobicContact CB-CB 3.86Å; P253-F263 HydrophobicContact CB-CD2 3.73Å; P253-F263 HydrophobicContact CB-CE2 4.48Å; P253-F263 HydrophobicContact CB-CG 3.79Å; P254-F263 HydrophobicContact CG-CE2 4.42Å; Y257-F263 HydrophobicContact CD1-CB 4.41Å; Y257-F263 AromaticContact CD1-CD2 3.9Å; Y257-F263 HydrophobicContact CD1-CD2 3.9Å; Y257-F263 HydrophobicContact CE1-CB 4.44Å; Y257-F263 AromaticContact CE1-CD2 3.85Å; Y257-F263 HydrophobicContact CE1-CD2 3.85Å; Y257-F263 HydrophobicContact CE2-CD2 4.48Å; Y257-F263 HydrophobicContact CG-CD2 4.25Å; P260-F263 WeakPolarHBondContact O-CB 3.36Å; P260-F263 PolarHBondContact O-N 3.35Å; F263-W265 AromaticContact CE1-CD2 3.88Å; F263-W265 HydrophobicContact CE1-CD2 3.88Å; F263-W265 HydrophobicContact CE1-CE3 4.44Å; F263-W265 AromaticContact CE1-CG 3.9Å; F263-W265 HydrophobicContact CE1-CG 3.9Å; F263-W265 AromaticContact CZ-CD2 3.95Å; F263-W265 HydrophobicContact CZ-CD2 3.95Å; F263-W265 HydrophobicContact CZ-CE3 4.04Å; F263-W265 HydrophobicContact CZ-CG 4.34Å; F263-Y268 AromaticContact CE2-CD1 3.84Å; F263-Y268 HydrophobicContact CE2-CD1 3.84Å; F263-Y268 HydrophobicContact CE2-CD2 4.21Å; F263-Y268 AromaticContact CE2-CG 3.65Å; F263-Y268 HydrophobicContact CE2-CG 3.65Å; F263-Y268 AromaticContact CZ-CD1 3.94Å; F263-Y268 HydrophobicContact CZ-CD1 3.94Å; F263-Y268 HydrophobicContact CZ-CG 4.06Å
264	S	97	Very high	95.1	Very high	49 Å²	49	70.7 Å²	70.7	34%	0.343	41%	0.408	S	S	.	.			trans	-145.8	120.7	-179.7	-175.6	0	0	0	0	110.4	Q262 S266 R267 Y268	Q262-S264 PolarHBondContact O-N 2.84Å; S264-S266 VanDerWaalsContact C-N 3.34Å; S264-S266 PolarHBondContact O-N 3.3Å; S264-S266 PolarHBondContact OG-OG 3.01Å; S264-R267 PolarHBondContact O-N 3.34Å; S264-Y268 WeakPolarHBondContact O-CB 3.5Å; S264-Y268 PolarHBondContact O-N 3.05Å
265	W	98.2	Very high	95.2	Very high	20 Å²	20	77 Å²	77	8%	0.076	44%	0.435	C	S	.	.	H	α-helix	trans	-56.8	-41.3	-177.4	-89.5	125	0	0	0	114.1	K191 L192 E193 V205 V241 L251 F263 Y268 L269	K191-W265 HydrophobicContact CB-CH2 4.15Å; K191-W265 HydrophobicContact CB-CZ3 3.86Å; K191-W265 HydrophobicContact CD-CZ3 4.04Å; L192-W265 WeakPolarHBondContact O-CH2 3.42Å; E193-W265 HydrophobicContact CG-CZ2 3.6Å; E193-W265 PolarHBondContact OE1-NE1 3.17Å; V205-W265 HydrophobicContact CB-CH2 4.15Å; V205-W265 HydrophobicContact CB-CZ2 4.31Å; V205-W265 HydrophobicContact CG1-CH2 3.63Å; V205-W265 HydrophobicContact CG1-CZ2 4.26Å; V205-W265 HydrophobicContact CG1-CZ3 4Å; V205-W265 HydrophobicContact CG2-CH2 4.04Å; V205-W265 HydrophobicContact CG2-CZ2 3.8Å; V241-W265 HydrophobicContact CB-CD2 4.36Å; V241-W265 HydrophobicContact CG1-CB 3.75Å; V241-W265 HydrophobicContact CG1-CD2 3.56Å; V241-W265 HydrophobicContact CG1-CE3 4.03Å; V241-W265 HydrophobicContact CG1-CG 3.46Å; V241-W265 VanDerWaalsContact CG1-CG 3.46Å; V241-W265 HydrophobicContact CG2-CD2 4.08Å; V241-W265 HydrophobicContact CG2-CE3 4.03Å; V241-W265 HydrophobicContact CG2-CH2 3.86Å; V241-W265 HydrophobicContact CG2-CZ2 3.92Å; V241-W265 HydrophobicContact CG2-CZ3 3.92Å; L251-W265 HydrophobicContact CD2-CZ2 4.34Å; L251-W265 VanDerWaalsContact CD2-NE1 3.25Å; F263-W265 AromaticContact CE1-CD2 3.88Å; F263-W265 HydrophobicContact CE1-CD2 3.88Å; F263-W265 HydrophobicContact CE1-CE3 4.44Å; F263-W265 AromaticContact CE1-CG 3.9Å; F263-W265 HydrophobicContact CE1-CG 3.9Å; F263-W265 AromaticContact CZ-CD2 3.95Å; F263-W265 HydrophobicContact CZ-CD2 3.95Å; F263-W265 HydrophobicContact CZ-CE3 4.04Å; F263-W265 HydrophobicContact CZ-CG 4.34Å; W265-Y268 HydrophobicContact CE3-CD1 4.36Å; W265-Y268 HydrophobicContact CZ3-CD1 4.19Å; W265-Y268 PolarHBondContact O-N 3.36Å; W265-L269 HydrophobicContact CE3-CG 4.36Å; W265-L269 WeakPolarHBondContact O-CB 3.38Å; W265-L269 VanDerWaalsContact O-CG 3.24Å; W265-L269 WeakPolarHBondContact O-CG 3.4Å; W265-L269 PolarHBondContact O-N 3.42Å
266	S	97.4	Very high	95.4	Very high	88 Å²	88	75.3 Å²	75.3	62%	0.615	43%	0.433	S	S	*	.	H	α-helix	trans	-63.3	-45.8	-180	52	0	0	0	0	111.7	S264 E270	S264-S266 VanDerWaalsContact C-N 3.34Å; S264-S266 PolarHBondContact O-N 3.3Å; S264-S266 PolarHBondContact OG-OG 3.01Å; S266-E270 PolarHBondContact O-N 2.61Å; S266-E270 VanDerWaalsContact O-N 3.16Å
267	R	96.8	Very high	95.6	Very high	112 Å²	112	68.3 Å²	68.3	42%	0.423	40%	0.396	S	S	.	.	H	α-helix	trans	-62.7	-44.6	173.7	177.5	178.4	167.6	-153.5	-15.3	111.3	S264 E270 E271	S264-R267 PolarHBondContact O-N 3.34Å; R267-E270 PolarHBondContact O-N 2.9Å; R267-E271 HydrophobicContact CG-CG 4.17Å; R267-E271 IonicContact CZ-OE1 2.73Å; R267-E271 IonicContact NE-OE1 3.67Å; R267-E271 PolarHBondContact NE-OE1 3.43Å; R267-E271 IonicContact NE-OE2 3.18Å; R267-E271 IonicContact NH2-OE1 2.77Å; R267-E271 PolarHBondContact NH2-OE1 3.38Å; R267-E271 WeakPolarHBondContact O-CB 3.35Å; R267-E271 WeakPolarHBondContact O-CG 3.4Å; R267-E271 PolarHBondContact O-N 2.91Å
268	Y	98.2	Very high	95.8	Very high	19 Å²	19	70 Å²	70	8%	0.075	41%	0.413	C	S	.	.	H	α-helix	trans	-68.8	-35.9	-176.4	-171.7	-119.2	0	0	0	112.9	K191 V205 D221 P254 Y257 F263 S264 W265 E271 T272	K191-Y268 HydrophobicContact CD-CD1 4.15Å; K191-Y268 HydrophobicContact CD-CE1 3.84Å; V205-Y268 HydrophobicContact CG1-CD1 4.11Å; V205-Y268 HydrophobicContact CG1-CE1 3.71Å; D221-Y268 VanDerWaalsContact OD2-CE1 3.26Å; D221-Y268 WeakPolarHBondContact OD2-CE1 3.35Å; D221-Y268 PolarHBondContact OD2-OH 3.11Å; D221-Y268 VanDerWaalsContact OD2-OH 3.04Å; P254-Y268 HydrophobicContact CG-CE1 3.96Å; P254-Y268 HydrophobicContact CG-CE2 4.04Å; Y257-Y268 HydrophobicContact CD2-CD2 4.26Å; Y257-Y268 HydrophobicContact CD2-CE2 4.2Å; Y257-Y268 AromaticContact CE2-CD2 3.57Å; Y257-Y268 HydrophobicContact CE2-CD2 3.57Å; Y257-Y268 AromaticContact CE2-CE2 3.88Å; Y257-Y268 HydrophobicContact CE2-CE2 3.88Å; F263-Y268 AromaticContact CE2-CD1 3.84Å; F263-Y268 HydrophobicContact CE2-CD1 3.84Å; F263-Y268 HydrophobicContact CE2-CD2 4.21Å; F263-Y268 AromaticContact CE2-CG 3.65Å; F263-Y268 HydrophobicContact CE2-CG 3.65Å; F263-Y268 AromaticContact CZ-CD1 3.94Å; F263-Y268 HydrophobicContact CZ-CD1 3.94Å; F263-Y268 HydrophobicContact CZ-CG 4.06Å; S264-Y268 WeakPolarHBondContact O-CB 3.5Å; S264-Y268 PolarHBondContact O-N 3.05Å; W265-Y268 HydrophobicContact CE3-CD1 4.36Å; W265-Y268 HydrophobicContact CZ3-CD1 4.19Å; W265-Y268 PolarHBondContact O-N 3.36Å; Y268-E271 PolarHBondContact O-N 3Å; Y268-T272 HydrophobicContact CD2-CG2 4.12Å; Y268-T272 HydrophobicContact CE1-CG2 4.06Å; Y268-T272 HydrophobicContact CE2-CG2 3.65Å; Y268-T272 WeakPolarHBondContact O-CB 3.42Å; Y268-T272 WeakPolarHBondContact O-CG2 3.36Å; Y268-T272 PolarHBondContact O-N 2.88Å; Y268-T272 PolarHBondContact O-OG1 2.89Å
269	L	98.3	Very high	96.1	Very high	31 Å²	31	69.3 Å²	69.3	16%	0.162	41%	0.414	C	S	.	.	H	α-helix	trans	-64.5	-39.6	171.4	-71.1	167	0	0	0	111.7	K191 V241 W265 T272 G273 S274 A276	K191-L269 HydrophobicContact CB-CD2 4.28Å; K191-L269 HydrophobicContact CD-CD2 4.18Å; K191-L269 HydrophobicContact CG-CD2 4.49Å; V241-L269 HydrophobicContact CG1-CD1 4.48Å; W265-L269 HydrophobicContact CE3-CG 4.36Å; W265-L269 WeakPolarHBondContact O-CB 3.38Å; W265-L269 VanDerWaalsContact O-CG 3.24Å; W265-L269 WeakPolarHBondContact O-CG 3.4Å; W265-L269 PolarHBondContact O-N 3.42Å; L269-T272 PolarHBondContact O-OG1 2.66Å; L269-G273 WeakPolarHBondContact O-CA 3.36Å; L269-G273 PolarHBondContact O-N 2.86Å; L269-S274 PolarHBondContact O-N 3.47Å; L269-A276 HydrophobicContact CD1-CB 4.36Å
270	E	97.9	Very high	96.3	Very high	168 Å²	168	69.6 Å²	69.6	79%	0.785	42%	0.416	S	S	*	.	H	α-helix	trans	-66.6	-45.4	173.5	-173.1	178.9	-167.8	0	0	112.4	S266 R267 T272 G273	S266-E270 PolarHBondContact O-N 2.61Å; S266-E270 VanDerWaalsContact O-N 3.16Å; R267-E270 PolarHBondContact O-N 2.9Å; E270-T272 VanDerWaalsContact C-N 3.34Å; E270-T272 PolarHBondContact O-N 2.93Å; E270-G273 PolarHBondContact O-N 3.26Å
271	E	96.6	Very high	96.8	Very high	84 Å²	84	66.5 Å²	66.5	39%	0.393	40%	0.397	S	S	.	.	H	α-helix	trans	-62.8	-38	178.5	-75.4	177.6	155.2	0	0	112.5	Y257 R267 Y268	Y257-E271 PolarHBondContact OH-OE2 3.38Å; R267-E271 HydrophobicContact CG-CG 4.17Å; R267-E271 IonicContact CZ-OE1 2.73Å; R267-E271 IonicContact NE-OE1 3.67Å; R267-E271 PolarHBondContact NE-OE1 3.43Å; R267-E271 IonicContact NE-OE2 3.18Å; R267-E271 IonicContact NH2-OE1 2.77Å; R267-E271 PolarHBondContact NH2-OE1 3.38Å; R267-E271 WeakPolarHBondContact O-CB 3.35Å; R267-E271 WeakPolarHBondContact O-CG 3.4Å; R267-E271 PolarHBondContact O-N 2.91Å; Y268-E271 PolarHBondContact O-N 3Å
272	T	97.4	Very high	97.2	Very high	31 Å²	31	63.6 Å²	63.6	19%	0.19	36%	0.361	C	S	.	.	H	α-helix	trans	-83.5	-31.6	178.6	53.2	0	0	0	0	113	Y268 L269 E270 S274 R469	Y268-T272 HydrophobicContact CD2-CG2 4.12Å; Y268-T272 HydrophobicContact CE1-CG2 4.06Å; Y268-T272 HydrophobicContact CE2-CG2 3.65Å; Y268-T272 WeakPolarHBondContact O-CB 3.42Å; Y268-T272 WeakPolarHBondContact O-CG2 3.36Å; Y268-T272 PolarHBondContact O-N 2.88Å; Y268-T272 PolarHBondContact O-OG1 2.89Å; L269-T272 PolarHBondContact O-OG1 2.66Å; E270-T272 VanDerWaalsContact C-N 3.34Å; E270-T272 PolarHBondContact O-N 2.93Å; T272-S274 VanDerWaalsContact C-N 3.32Å; T272-S274 WeakPolarHBondContact OG1-CB 3.34Å; T272-S274 PolarHBondContact OG1-N 2.88Å; T272-R469 PolarHBondContact O-NH1 3.46Å
273	G	97.9	Very high	97.3	Very high	65 Å²	65	63.1 Å²	63.1	67%	0.67	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	14.6	-169.1	0	0	0	0	0	113.6	L269 E270	L269-G273 WeakPolarHBondContact O-CA 3.36Å; L269-G273 PolarHBondContact O-N 2.86Å; E270-G273 PolarHBondContact O-N 3.26Å
274	S	98.2	Very high	97.3	Very high	34 Å²	34	64.9 Å²	64.9	24%	0.238	37%	0.37	C	S	.	.			trans	-85.2	167.6	-179.3	-75.6	0	0	0	0	112.7	G189 K191 L269 T272	G189-S274 WeakPolarHBondContact O-CB 3.22Å; G189-S274 PolarHBondContact O-OG 3.39Å; K191-S274 WeakPolarHBondContact CE-OG 3.4Å; L269-S274 PolarHBondContact O-N 3.47Å; T272-S274 VanDerWaalsContact C-N 3.32Å; T272-S274 WeakPolarHBondContact OG1-CB 3.34Å; T272-S274 PolarHBondContact OG1-N 2.88Å
275	K	98.1	Very high	97.2	Very high	136 Å²	136	63.7 Å²	63.7	59%	0.591	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	153.9	166.9	-59.2	174.7	-170.1	164.3	0	109.6	M190 K191	M190-K275 CarbonylContact C-O 3.59Å; M190-K275 VanDerWaalsContact CA-O 3.32Å; M190-K275 WeakPolarHBondContact CA-O 3.28Å; K191-K275 PolarHBondContact N-O 2.79Å
276	A	98.5	Very high	97.1	Very high	37 Å²	37	67.9 Å²	67.9	31%	0.306	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	150.2	159	0	0	0	0	0	110	K191 V241 L269	K191-A276 CarbonylContact O-C 3.59Å; K191-A276 WeakPolarHBondContact O-CA 3.29Å; V241-A276 HydrophobicContact CB-CB 3.78Å; V241-A276 HydrophobicContact CG1-CB 4.36Å; V241-A276 HydrophobicContact CG2-CB 3.6Å; L269-A276 HydrophobicContact CD1-CB 4.36Å
277	V	98.3	Very high	97.1	Very high	4 Å²	4	67.5 Å²	67.5	2%	0.024	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-61.3	138.2	161.2	-178.9	0	0	0	0	108.5	F186 M190 K191 L192 V208 A281 F282	F186-V277 HydrophobicContact CD1-CB 4.46Å; F186-V277 HydrophobicContact CD1-CG1 3.75Å; F186-V277 HydrophobicContact CD1-CG2 3.84Å; F186-V277 HydrophobicContact CE1-CB 4.41Å; F186-V277 HydrophobicContact CE1-CG1 3.62Å; F186-V277 HydrophobicContact CE1-CG2 4.12Å; F186-V277 HydrophobicContact CE2-CG1 4.39Å; F186-V277 HydrophobicContact CG-CG1 4.21Å; F186-V277 HydrophobicContact CZ-CG1 3.95Å; M190-V277 HydrophobicContact CB-CG2 3.63Å; M190-V277 HydrophobicContact CG-CG2 4.5Å; M190-V277 HydrophobicContact SD-CB 4.41Å; M190-V277 HydrophobicContact SD-CG2 4.1Å; K191-V277 PolarHBondContact O-N 3.18Å; L192-V277 HydrophobicContact CB-CG2 4.32Å; L192-V277 HydrophobicContact CD2-CG2 4.44Å; V208-V277 HydrophobicContact CG2-CG2 4.3Å; V277-A281 HydrophobicContact CG1-CB 3.97Å; V277-F282 HydrophobicContact CB-CE2 3.76Å; V277-F282 HydrophobicContact CB-CZ 3.79Å; V277-F282 HydrophobicContact CG1-CD2 4.27Å; V277-F282 HydrophobicContact CG1-CE2 3.49Å; V277-F282 VanDerWaalsContact CG1-CE2 3.49Å; V277-F282 HydrophobicContact CG1-CZ 3.76Å; V277-F282 HydrophobicContact CG2-CZ 4.49Å
278	A	97.1	Very high	97.2	Very high	49 Å²	49	63.9 Å²	63.9	41%	0.405	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-67.5	135	179.8	0	0	0	0	0	111.2	D280 A281 F282	A278-D280 VanDerWaalsContact CB-OD1 3.28Å; A278-D280 WeakPolarHBondContact CB-OD1 3.32Å; A278-D280 PolarHBondContact O-N 3.1Å; A278-D280 VanDerWaalsContact O-N 3.12Å; A278-A281 VanDerWaalsContact O-CB 3.29Å; A278-A281 WeakPolarHBondContact O-CB 3.38Å; A278-A281 PolarHBondContact O-N 3.42Å; A278-F282 WeakPolarHBondContact O-CD2 3.28Å
279	A	96.6	Very high	97.2	Very high	70 Å²	70	66.6 Å²	66.6	58%	0.579	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-22.7	-173	0	0	0	0	0	113.9	P240	P240-A279 HydrophobicContact CB-CB 3.98Å; P240-A279 HydrophobicContact CG-CB 4.36Å
280	D	95.4	Very high	97.2	Very high	121 Å²	121	65.1 Å²	65.1	65%	0.647	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-10.7	174.6	65.5	-46.7	0	0	0	113.8	A278 K283	A278-D280 VanDerWaalsContact CB-OD1 3.28Å; A278-D280 WeakPolarHBondContact CB-OD1 3.32Å; A278-D280 PolarHBondContact O-N 3.1Å; A278-D280 VanDerWaalsContact O-N 3.12Å; D280-K283 WeakPolarHBondContact O-CE 3.48Å; D280-K283 PolarHBondContact O-NZ 3.32Å
281	A	96.4	Very high	97.2	Very high	14 Å²	14	62.2 Å²	62.2	12%	0.116	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-29.3	172.6	0	0	0	0	0	112.4	F186 V277 A278 K283	F186-A281 HydrophobicContact CD2-CB 4.36Å; F186-A281 HydrophobicContact CE2-CB 3.92Å; F186-A281 HydrophobicContact CZ-CB 4.45Å; V277-A281 HydrophobicContact CG1-CB 3.97Å; A278-A281 VanDerWaalsContact O-CB 3.29Å; A278-A281 WeakPolarHBondContact O-CB 3.38Å; A278-A281 PolarHBondContact O-N 3.42Å; A281-K283 PolarHBondContact O-N 3.37Å
282	F	97.2	Very high	97.3	Very high	23 Å²	23	61 Å²	61	10%	0.101	37%	0.37	C	S	.	.			trans	-70.8	124.8	178.3	-61.2	-96.7	0	0	0	110.9	F186 L192 I238 H239 P240 V277 A278	F186-F282 HydrophobicContact CE1-CD1 4.43Å; F186-F282 AromaticContact CE1-CE1 3.99Å; F186-F282 HydrophobicContact CE1-CE1 3.99Å; F186-F282 HydrophobicContact CE1-CZ 4.16Å; F186-F282 HydrophobicContact CZ-CD1 4.03Å; F186-F282 HydrophobicContact CZ-CE1 4.05Å; F186-F282 HydrophobicContact CZ-CG 4.32Å; F186-F282 HydrophobicContact CZ-CZ 4.36Å; L192-F282 HydrophobicContact CB-CZ 4.14Å; I238-F282 HydrophobicContact CB-CD1 4.49Å; I238-F282 HydrophobicContact CB-CE1 4.13Å; I238-F282 HydrophobicContact CD1-CD1 4.19Å; I238-F282 HydrophobicContact CD1-CE1 4.29Å; I238-F282 HydrophobicContact CG1-CD1 4.08Å; I238-F282 HydrophobicContact CG1-CE1 4.18Å; H239-F282 VanDerWaalsContact C-CE1 3.41Å; H239-F282 VanDerWaalsContact C-CZ 3.48Å; H239-F282 WeakPolarHBondContact O-CZ 3.46Å; P240-F282 HydrophobicContact CB-CD2 4.07Å; P240-F282 HydrophobicContact CB-CE2 3.7Å; P240-F282 HydrophobicContact CB-CZ 4.24Å; P240-F282 HydrophobicContact CG-CD2 4.46Å; P240-F282 HydrophobicContact CG-CE2 4.48Å; V277-F282 HydrophobicContact CB-CE2 3.76Å; V277-F282 HydrophobicContact CB-CZ 3.79Å; V277-F282 HydrophobicContact CG1-CD2 4.27Å; V277-F282 HydrophobicContact CG1-CE2 3.49Å; V277-F282 VanDerWaalsContact CG1-CE2 3.49Å; V277-F282 HydrophobicContact CG1-CZ 3.76Å; V277-F282 HydrophobicContact CG2-CZ 4.49Å; A278-F282 WeakPolarHBondContact O-CD2 3.28Å
283	K	95.8	Very high	97.3	Very high	133 Å²	133	65 Å²	65	58%	0.578	39%	0.387	S	S	*	.			trans	-121.5	38.7	-175.9	-57.2	-53.7	-178.2	-164.2	0	112.3	A233 S234 D280 A281 R285	A233-K283 HydrophobicContact CB-CG 4.44Å; A233-K283 PolarHBondContact O-N 3.29Å; S234-K283 WeakPolarHBondContact CA-O 3.27Å; S234-K283 VanDerWaalsContact CB-O 3.31Å; S234-K283 WeakPolarHBondContact CB-O 3.48Å; D280-K283 WeakPolarHBondContact O-CE 3.48Å; D280-K283 PolarHBondContact O-NZ 3.32Å; A281-K283 PolarHBondContact O-N 3.37Å; K283-R285 PolarHBondContact O-N 3.24Å
284	V	95.3	Very high	97.4	Very high	74 Å²	74	63.3 Å²	63.3	45%	0.448	36%	0.362	S	S	.	.			trans	-38.4	119.5	-172.8	-178.7	0	0	0	0	112.1	S234 P236	S234-V284 WeakPolarHBondContact O-CA 2.94Å; P236-V284 HydrophobicContact CB-CG1 4.43Å
285	R	95	Very high	97.4	Very high	25 Å²	25	62.4 Å²	62.4	9%	0.094	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-61.2	151.3	-175.2	65.8	-164.6	-178	-156.7	13.9	112.4	S234 K283 H318 D338	S234-R285 WeakPolarHBondContact O-CG 3.33Å; S234-R285 PolarHBondContact O-N 3.36Å; K283-R285 PolarHBondContact O-N 3.24Å; R285-H318 PolarHBondContact O-CE1 2.58Å; R285-D338 VanDerWaalsContact CZ-CG 3.47Å; R285-D338 IonicContact CZ-OD1 3.89Å; R285-D338 IonicContact CZ-OD2 2.77Å; R285-D338 IonicContact NH1-OD1 3.19Å; R285-D338 PolarHBondContact NH1-OD1 2.91Å; R285-D338 IonicContact NH1-OD2 2.72Å; R285-D338 PolarHBondContact NH1-OD2 2.83Å; R285-D338 IonicContact NH2-OD1 2.84Å; R285-D338 PolarHBondContact NH2-OD1 3.32Å; R285-D338 IonicContact NH2-OD2 3.99Å; R285-D338 PolarHBondContact NH2-OD2 3.02Å
286	P	96.6	Very high	97.4	Very high	107 Å²	107	55.9 Å²	55.9	70%	0.695	33%	0.326	S	S	*	.	P	Polyproline II helix	trans	-61.4	159.6	173.3	27.6	-35.7	0	0	0	111.6
287	P	97.7	Very high	97.4	Very high	80 Å²	80	54.2 Å²	54.2	52%	0.519	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-56.8	146	167.6	-21.4	33	0	0	0	111.3	T317	P287-T317 VanDerWaalsContact CA-O 3.25Å; P287-T317 WeakPolarHBondContact CA-O 3.4Å; P287-T317 HydrophobicContact CB-CG2 3.71Å; P287-T317 HydrophobicContact CG-CG2 3.65Å
288	H	97.9	Very high	97.5	Very high	36 Å²	36	54 Å²	54	17%	0.167	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-72.5	170.2	175.8	68.8	66.9	0	0	0	111.5	F290 V315 E316 T317 R319 S337	H288-F290 HydrophobicContact CB-CD2 4.08Å; H288-F290 AromaticContact CG-CD2 3.96Å; H288-F290 AromaticContact ND1-CD2 3.79Å; H288-F290 PolarHBondContact ND1-N 3.08Å; H288-V315 WeakPolarHBondContact CE1-CB 3.37Å; H288-V315 WeakPolarHBondContact CE1-CG1 3.29Å; H288-E316 PolarHBondContact CE1-O 2.88Å; H288-E316 VanDerWaalsContact CE1-O 3.31Å; H288-E316 PolarHBondContact NE2-O 2.93Å; H288-T317 PolarHBondContact CD2-O 3.49Å; H288-T317 PolarHBondContact N-O 3.17Å; H288-T317 VanDerWaalsContact N-O 3.15Å; H288-R319 VanDerWaalsContact NE2-CA 3.34Å; H288-R319 WeakPolarHBondContact NE2-CA 3.47Å; H288-R319 PolarHBondContact NE2-N 3.05Å; H288-R319 PolarHBondContact NE2-O 2.94Å; H288-S337 WeakPolarHBondContact CD2-CB 3.36Å; H288-S337 PolarHBondContact CD2-OG 3.16Å
289	S	98.3	Very high	97.5	Very high	76 Å²	76	52 Å²	52	53%	0.531	29%	0.293	S	S	.	.			trans	-121.2	19.7	-179.7	-63.6	0	0	0	0	113.6	Q291	S289-Q291 PolarHBondContact O-NE2 2.76Å
290	F	98.6	Very high	97.5	Very high	1 Å²	1	49.2 Å²	49.2	0%	0.004	27%	0.268	C	S	.	.			trans	-59.9	149	166.6	-70.6	-84.9	0	0	0	110.2	A61 L65 F66 H288 L296 V312 I320	A61-F290 HydrophobicContact CB-CD1 4.03Å; A61-F290 HydrophobicContact CB-CE1 3.78Å; L65-F290 HydrophobicContact CB-CD1 4.36Å; L65-F290 HydrophobicContact CB-CD2 4.46Å; L65-F290 HydrophobicContact CB-CE1 3.97Å; L65-F290 HydrophobicContact CB-CE2 4.06Å; L65-F290 HydrophobicContact CB-CZ 3.8Å; L65-F290 HydrophobicContact CD1-CD1 3.89Å; L65-F290 HydrophobicContact CD1-CE1 4.23Å; L65-F290 HydrophobicContact CD1-CG 4.16Å; L65-F290 WeakPolarHBondContact O-CE2 3.32Å; F66-F290 HydrophobicContact CD1-CZ 4.01Å; F66-F290 HydrophobicContact CD2-CZ 4.36Å; F66-F290 AromaticContact CE1-CE1 4Å; F66-F290 HydrophobicContact CE1-CE1 4Å; F66-F290 AromaticContact CE1-CZ 3.84Å; F66-F290 HydrophobicContact CE1-CZ 3.84Å; F66-F290 AromaticContact CE2-CE1 3.98Å; F66-F290 HydrophobicContact CE2-CE1 3.98Å; F66-F290 HydrophobicContact CE2-CZ 4.21Å; F66-F290 HydrophobicContact CG-CZ 4.28Å; F66-F290 AromaticContact CZ-CE1 3.68Å; F66-F290 HydrophobicContact CZ-CE1 3.68Å; F66-F290 AromaticContact CZ-CZ 3.95Å; F66-F290 HydrophobicContact CZ-CZ 3.95Å; H288-F290 HydrophobicContact CB-CD2 4.08Å; H288-F290 AromaticContact CG-CD2 3.96Å; H288-F290 AromaticContact ND1-CD2 3.79Å; H288-F290 PolarHBondContact ND1-N 3.08Å; F290-L296 HydrophobicContact CE1-CD2 4.35Å; F290-V312 HydrophobicContact CD1-CG2 4.26Å; F290-I320 HydrophobicContact CB-CG2 3.84Å; F290-I320 HydrophobicContact CD2-CG2 4.03Å; F290-I320 HydrophobicContact CG-CG2 4.02Å
291	Q	98.4	Very high	97.3	Very high	106 Å²	106	49.8 Å²	49.8	50%	0.495	27%	0.265	S	S	.	.			trans	-126.9	150	177	-57.8	-62.5	-58.5	0	0	109.2	S289 M294 V312	S289-Q291 PolarHBondContact O-NE2 2.76Å; Q291-M294 HydrophobicContact CB-CE 3.93Å; Q291-M294 HydrophobicContact CB-CG 4.23Å; Q291-M294 HydrophobicContact CB-SD 4.1Å; Q291-M294 HydrophobicContact CG-CE 3.82Å; Q291-M294 HydrophobicContact CG-SD 4.46Å; Q291-M294 PolarHBondContact N-SD 3.43Å; Q291-M294 VanDerWaalsContact N-SD 3.42Å; Q291-M294 WeakPolarHBondContact O-CB 3.45Å; Q291-M294 WeakPolarHBondContact O-CG 3.43Å; Q291-M294 PolarHBondContact O-N 3.3Å; Q291-V312 WeakPolarHBondContact O-CB 3.35Å
292	P	98.4	Very high	97	Very high	58 Å²	58	57.5 Å²	57.5	38%	0.377	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	149.7	168.2	-27.5	36.5	0	0	0	112.4	M294 V312 V315	P292-M294 PolarHBondContact O-N 3.31Å; P292-V312 CarbonylContact C-O 3.56Å; P292-V312 VanDerWaalsContact CA-O 3.29Å; P292-V312 WeakPolarHBondContact CA-O 3.38Å; P292-V315 HydrophobicContact CG-CG1 4.4Å; P292-V315 HydrophobicContact CG-CG2 4.19Å
293	Q	98	Very high	96.8	Very high	117 Å²	117	59 Å²	59	55%	0.547	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	67	4.1	-176.7	-50.5	-63	-68.8	0	0	115.9	V312	Q293-V312 PolarHBondContact N-O 2.59Å
294	M	98.8	Very high	96.8	Very high	28 Å²	28	55.4 Å²	55.4	14%	0.138	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	136.7	164.1	-72	-175.9	169.2	0	0	110.7	V59 A61 L65 Q291 P292 T311 V312	V59-M294 HydrophobicContact CG2-CG 4.36Å; V59-M294 CarbonylContact O-C 3.58Å; V59-M294 WeakPolarHBondContact O-CA 3.44Å; A61-M294 HydrophobicContact CB-CB 4.11Å; A61-M294 HydrophobicContact CB-SD 4.28Å; L65-M294 HydrophobicContact CD1-CE 4.23Å; L65-M294 HydrophobicContact CD1-SD 3.76Å; Q291-M294 HydrophobicContact CB-CE 3.93Å; Q291-M294 HydrophobicContact CB-CG 4.23Å; Q291-M294 HydrophobicContact CB-SD 4.1Å; Q291-M294 HydrophobicContact CG-CE 3.82Å; Q291-M294 HydrophobicContact CG-SD 4.46Å; Q291-M294 PolarHBondContact N-SD 3.43Å; Q291-M294 VanDerWaalsContact N-SD 3.42Å; Q291-M294 WeakPolarHBondContact O-CB 3.45Å; Q291-M294 WeakPolarHBondContact O-CG 3.43Å; Q291-M294 PolarHBondContact O-N 3.3Å; P292-M294 PolarHBondContact O-N 3.31Å; M294-T311 WeakPolarHBondContact O-CA 3.23Å; M294-V312 HydrophobicContact CB-CG2 4.24Å; M294-V312 PolarHBondContact O-N 3.46Å
295	K	98.8	Very high	96.8	Very high	15 Å²	15	53.1 Å²	53.1	7%	0.065	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	145.3	177.3	-61.9	-161	178.2	-71	0	113.4	W49 Y52 L53 S58 V59 A60 A61 A310 T311 D325	W49-K295 HydrophobicContact CH2-CB 4.1Å; W49-K295 HydrophobicContact CZ3-CB 3.75Å; W49-K295 HydrophobicContact CZ3-CD 4.11Å; Y52-K295 HydrophobicContact CD1-CD 4.16Å; Y52-K295 HydrophobicContact CE1-CD 3.76Å; L53-K295 HydrophobicContact CD2-CB 4.32Å; L53-K295 HydrophobicContact CD2-CD 4.24Å; L53-K295 HydrophobicContact CD2-CG 4.49Å; S58-K295 WeakPolarHBondContact OG-CD 3.33Å; S58-K295 WeakPolarHBondContact OG-CE 3.48Å; V59-K295 PolarHBondContact O-N 2.88Å; A60-K295 CarbonylContact C-O 3.53Å; A60-K295 WeakPolarHBondContact CA-O 3.28Å; A61-K295 PolarHBondContact N-O 3.06Å; K295-A310 CarbonylContact C-O 3.54Å; K295-A310 VanDerWaalsContact CA-O 3.28Å; K295-A310 WeakPolarHBondContact CA-O 3.48Å; K295-T311 PolarHBondContact NZ-OG1 2.77Å; K295-D325 IonicContact NZ-OD1 3.64Å; K295-D325 IonicContact NZ-OD2 2.66Å; K295-D325 PolarHBondContact NZ-OD2 3.41Å
296	L	98.8	Very high	97	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	177.3	-176.8	60.5	83.8	0	0	0	111.1	A61 F66 F290 A298 A310 V312 I320 I342 H343	A61-L296 HydrophobicContact CB-CB 4.46Å; F66-L296 HydrophobicContact CZ-CB 4.02Å; F290-L296 HydrophobicContact CE1-CD2 4.35Å; L296-A298 HydrophobicContact CD1-CB 3.84Å; L296-A310 HydrophobicContact CD1-CB 4.01Å; L296-A310 PolarHBondContact N-O 2.93Å; L296-A310 PolarHBondContact O-N 2.98Å; L296-V312 HydrophobicContact CD2-CG2 3.62Å; L296-I320 HydrophobicContact CD2-CD1 3.9Å; L296-I342 HydrophobicContact CD1-CB 4.49Å; L296-I342 HydrophobicContact CD1-CG2 4.44Å; L296-H343 WeakPolarHBondContact CB-O 3.47Å
297	E	98.8	Very high	97.1	Very high	1 Å²	1	49 Å²	49	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133	171.8	-70.1	178.6	-166.8	0	0	109.5	W49 I307 H343 G346 W347 C348 L355	W49-E297 HydrophobicContact CZ2-CG 3.61Å; W49-E297 PolarHBondContact NE1-OE1 3.44Å; E297-I307 HydrophobicContact CB-CG2 3.87Å; E297-H343 HydrophobicContact CB-CB 4.14Å; E297-H343 PolarHBondContact N-O 3.11Å; E297-H343 PolarHBondContact O-N 3.19Å; E297-G346 WeakPolarHBondContact OE1-CA 3.15Å; E297-G346 PolarHBondContact OE1-N 3.01Å; E297-W347 PolarHBondContact OE2-N 2.78Å; E297-C348 VanDerWaalsContact OE2-CB 3.25Å; E297-C348 WeakPolarHBondContact OE2-CB 3.37Å; E297-C348 PolarHBondContact OE2-N 2.93Å; E297-L355 HydrophobicContact CG-CD1 3.93Å; E297-L355 HydrophobicContact CG-CD2 4.43Å
298	A	98.8	Very high	97.1	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	143.2	-178.6	0	0	0	0	0	111.9	L296 I307 R308 A310 V322 Y324 I342	L296-A298 HydrophobicContact CD1-CB 3.84Å; A298-I307 CarbonylContact O-C 3.58Å; A298-I307 WeakPolarHBondContact O-CA 3.33Å; A298-R308 PolarHBondContact N-O 2.71Å; A298-R308 VanDerWaalsContact N-O 3.1Å; A298-R308 PolarHBondContact O-N 2.8Å; A298-A310 HydrophobicContact CB-CB 4.04Å; A298-V322 HydrophobicContact CB-CG1 3.71Å; A298-Y324 HydrophobicContact CB-CE1 4.13Å; A298-I342 HydrophobicContact CB-CG2 4Å
299	V	98.6	Very high	97.1	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.048	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	142.2	172	177.4	0	0	0	0	110.5	K301 P304 L306 I307 Y324 D341	V299-K301 PolarHBondContact O-N 2.94Å; V299-P304 HydrophobicContact CG1-CB 4.06Å; V299-P304 WeakPolarHBondContact CG1-O 3.19Å; V299-L306 CarbonylContact C-O 3.57Å; V299-L306 WeakPolarHBondContact CA-O 3.43Å; V299-I307 HydrophobicContact CG2-CD1 4.29Å; V299-I307 HydrophobicContact CG2-CG1 3.71Å; V299-Y324 PolarHBondContact O-OH 2.94Å; V299-D341 HydrophobicContact CB-CB 3.83Å; V299-D341 HydrophobicContact CG2-CB 3.63Å; V299-D341 WeakPolarHBondContact CG2-OD1 3.45Å; V299-D341 PolarHBondContact N-O 3.3Å; V299-D341 VanDerWaalsContact N-O 3.07Å
300	D	96.5	Very high	97.2	Very high	10 Å²	10	41 Å²	41	5%	0.053	21%	0.206	C	C	.	.			trans	-75.9	108.7	171.4	-174.8	-24	0	0	0	110.6	R302 S303 P304 L306 R308 Y324	D300-R302 PolarHBondContact O-N 2.74Å; D300-R302 VanDerWaalsContact O-N 3.09Å; D300-R302 WeakPolarHBondContact OD1-CA 3.25Å; D300-R302 WeakPolarHBondContact OD1-CB 3.36Å; D300-R302 PolarHBondContact OD1-N 2.98Å; D300-S303 CarbonylContact O-C 3.56Å; D300-S303 PolarHBondContact O-N 2.8Å; D300-S303 PolarHBondContact OD1-N 3.01Å; D300-P304 VanDerWaalsContact O-CA 3.3Å; D300-P304 WeakPolarHBondContact O-CA 3.45Å; D300-P304 VanDerWaalsContact O-N 3.15Å; D300-L306 HydrophobicContact CB-CB 4.08Å; D300-L306 PolarHBondContact N-O 2.83Å; D300-R308 IonicContact OD2-CZ 2.83Å; D300-R308 IonicContact OD2-NE 3.58Å; D300-R308 PolarHBondContact OD2-NE 3.38Å; D300-R308 IonicContact OD2-NH2 3.53Å; D300-R308 PolarHBondContact OD2-NH2 2.82Å; D300-Y324 WeakPolarHBondContact CA-OH 3.5Å
301	K	90.1	Very high	97.2	Very high	133 Å²	133	41.2 Å²	41.2	58%	0.578	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.8	178.7	-174.3	172.1	178.7	173.6	0	113.7	V299 Y324 E333	V299-K301 PolarHBondContact O-N 2.94Å; K301-Y324 PolarHBondContact N-OH 2.87Å; K301-E333 HydrophobicContact CD-CG 3.73Å; K301-E333 VanDerWaalsContact NZ-CD 3.3Å; K301-E333 IonicContact NZ-OE1 2.76Å; K301-E333 PolarHBondContact NZ-OE1 2.95Å; K301-E333 IonicContact NZ-OE2 3.66Å
302	R	90.1	Very high	97.2	Very high	176 Å²	176	36.2 Å²	36.2	66%	0.664	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-9.3	177.4	-50.7	-178.9	68.7	100.9	1.3	112.8	D300	D300-R302 PolarHBondContact O-N 2.74Å; D300-R302 VanDerWaalsContact O-N 3.09Å; D300-R302 WeakPolarHBondContact OD1-CA 3.25Å; D300-R302 WeakPolarHBondContact OD1-CB 3.36Å; D300-R302 PolarHBondContact OD1-N 2.98Å
303	S	94.4	Very high	97.2	Very high	56 Å²	56	36.2 Å²	36.2	39%	0.392	18%	0.179	S	C	.	.	S	Bend	trans	-153.5	71.5	178.5	-72	0	0	0	0	110.4	D300 G305 L306	D300-S303 CarbonylContact O-C 3.56Å; D300-S303 PolarHBondContact O-N 2.8Å; D300-S303 PolarHBondContact OD1-N 3.01Å; S303-G305 PolarHBondContact O-N 2.85Å; S303-L306 WeakPolarHBondContact O-CB 3.2Å; S303-L306 WeakPolarHBondContact O-CG 3.32Å; S303-L306 PolarHBondContact O-N 3.06Å
304	P	95.1	Very high	97.2	Very high	57 Å²	57	34.8 Å²	34.8	37%	0.37	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-4.3	-161.9	-25.5	36.9	0	0	0	117.4	R108 W123 V299 D300	R108-P304 PolarHBondContact NH1-O 2.86Å; R108-P304 PolarHBondContact NH2-O 3.3Å; W123-P304 HydrophobicContact CB-CB 4.42Å; W123-P304 HydrophobicContact CG-CB 4.38Å; V299-P304 HydrophobicContact CG1-CB 4.06Å; V299-P304 WeakPolarHBondContact CG1-O 3.19Å; D300-P304 VanDerWaalsContact O-CA 3.3Å; D300-P304 WeakPolarHBondContact O-CA 3.45Å; D300-P304 VanDerWaalsContact O-N 3.15Å
305	G	95.9	Very high	97.2	Very high	25 Å²	25	36 Å²	36	26%	0.258	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-1.4	166.4	0	0	0	0	0	114.1	S303	S303-G305 PolarHBondContact O-N 2.85Å
306	L	97.9	Very high	97.1	Very high	47 Å²	47	39.4 Å²	39.4	25%	0.246	20%	0.198	C	C	.	.			trans	-108.6	133.4	178.4	-53.2	-173.5	0	0	0	110.7	V299 D300 S303 K356	V299-L306 CarbonylContact C-O 3.57Å; V299-L306 WeakPolarHBondContact CA-O 3.43Å; D300-L306 HydrophobicContact CB-CB 4.08Å; D300-L306 PolarHBondContact N-O 2.83Å; S303-L306 WeakPolarHBondContact O-CB 3.2Å; S303-L306 WeakPolarHBondContact O-CG 3.32Å; S303-L306 PolarHBondContact O-N 3.06Å; L306-K356 HydrophobicContact CB-CG 4.32Å; L306-K356 HydrophobicContact CD2-CG 4.29Å
307	I	98.8	Very high	97	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	140.1	160.9	-66.2	174.5	0	0	0	107.9	E297 A298 V299 W347 C348 L355 K356	E297-I307 HydrophobicContact CB-CG2 3.87Å; A298-I307 CarbonylContact O-C 3.58Å; A298-I307 WeakPolarHBondContact O-CA 3.33Å; V299-I307 HydrophobicContact CG2-CD1 4.29Å; V299-I307 HydrophobicContact CG2-CG1 3.71Å; I307-W347 HydrophobicContact CD1-CE3 4Å; I307-W347 HydrophobicContact CD1-CZ3 3.58Å; I307-C348 VanDerWaalsContact CG2-SG 3.6Å; I307-L355 HydrophobicContact CG2-CD1 3.89Å; I307-K356 WeakPolarHBondContact O-CB 3.39Å; I307-K356 PolarHBondContact O-N 2.87Å
308	R	98.6	Very high	96.9	Very high	23 Å²	23	44.9 Å²	44.9	9%	0.087	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	152.7	-176.9	-64.1	-177.6	-179.7	-80.9	4.7	111.2	A298 D300 Y324 W327 K356	A298-R308 PolarHBondContact N-O 2.71Å; A298-R308 VanDerWaalsContact N-O 3.1Å; A298-R308 PolarHBondContact O-N 2.8Å; D300-R308 IonicContact OD2-CZ 2.83Å; D300-R308 IonicContact OD2-NE 3.58Å; D300-R308 PolarHBondContact OD2-NE 3.38Å; D300-R308 IonicContact OD2-NH2 3.53Å; D300-R308 PolarHBondContact OD2-NH2 2.82Å; R308-Y324 HydrophobicContact CB-CD1 3.77Å; R308-Y324 HydrophobicContact CB-CE1 4.37Å; R308-Y324 HydrophobicContact CG-CD1 4.2Å; R308-W327 VanDerWaalsContact NH1-CE2 3.3Å; R308-K356 WeakPolarHBondContact CA-O 3.48Å; R308-K356 HydrophobicContact CG-CB 4.16Å
309	V	98.6	Very high	96.9	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	128.4	159.4	174.5	0	0	0	0	108.3	W47 W49 Y52 D325 L355 K356 P358	W47-V309 HydrophobicContact CH2-CG2 3.53Å; W47-V309 HydrophobicContact CZ2-CG1 4.41Å; W47-V309 HydrophobicContact CZ2-CG2 3.61Å; W47-V309 HydrophobicContact CZ3-CG2 4.4Å; W49-V309 HydrophobicContact CH2-CB 4.32Å; W49-V309 HydrophobicContact CH2-CG1 3.7Å; W49-V309 HydrophobicContact CH2-CG2 4.25Å; W49-V309 HydrophobicContact CZ2-CG1 4.35Å; W49-V309 HydrophobicContact CZ2-CG2 4.07Å; W49-V309 HydrophobicContact CZ3-CG1 4.13Å; Y52-V309 HydrophobicContact CD1-CG1 4.03Å; Y52-V309 HydrophobicContact CE1-CG1 3.58Å; V309-D325 HydrophobicContact CG1-CB 4.01Å; V309-D325 WeakPolarHBondContact CG1-OD2 3.37Å; V309-D325 PolarHBondContact O-N 3.43Å; V309-D325 VanDerWaalsContact O-N 3.07Å; V309-L355 HydrophobicContact CG2-CD1 4.13Å; V309-L355 HydrophobicContact CG2-CD2 3.87Å; V309-L355 HydrophobicContact CG2-CG 3.99Å; V309-K356 PolarHBondContact N-O 2.8Å; V309-K356 VanDerWaalsContact N-O 3.14Å; V309-P358 HydrophobicContact CB-CG 4.06Å; V309-P358 HydrophobicContact CG1-CG 3.89Å
310	A	98.6	Very high	96.9	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	162.4	-173.3	0	0	0	0	0	112.7	K295 L296 A298 V322 H323 Y324	K295-A310 CarbonylContact C-O 3.54Å; K295-A310 VanDerWaalsContact CA-O 3.28Å; K295-A310 WeakPolarHBondContact CA-O 3.48Å; L296-A310 HydrophobicContact CD1-CB 4.01Å; L296-A310 PolarHBondContact N-O 2.93Å; L296-A310 PolarHBondContact O-N 2.98Å; A298-A310 HydrophobicContact CB-CB 4.04Å; A310-V322 HydrophobicContact CB-CG1 3.75Å; A310-H323 CarbonylContact C-O 3.02Å; A310-H323 WeakPolarHBondContact CA-O 3.39Å; A310-H323 VanDerWaalsContact CB-O 3.23Å; A310-H323 WeakPolarHBondContact CB-O 3.49Å; A310-Y324 HydrophobicContact CB-CD1 4.33Å
311	T	98.8	Very high	97	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.031	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.4	179.3	-60	0	0	0	0	110.4	M294 K295 E313 H323 D325	M294-T311 WeakPolarHBondContact O-CA 3.23Å; K295-T311 PolarHBondContact NZ-OG1 2.77Å; T311-E313 PolarHBondContact O-N 3.44Å; T311-H323 PolarHBondContact N-O 2.82Å; T311-H323 PolarHBondContact O-N 2.69Å; T311-D325 WeakPolarHBondContact CB-OD1 3.32Å; T311-D325 PolarHBondContact N-OD1 3.34Å; T311-D325 PolarHBondContact OG1-OD1 2.78Å; T311-D325 PolarHBondContact OG1-OD2 2.8Å
312	V	98.8	Very high	97.4	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	111.9	166.2	-178.9	0	0	0	0	108.3	F290 Q291 P292 Q293 M294 L296 V315 I320	F290-V312 HydrophobicContact CD1-CG2 4.26Å; Q291-V312 WeakPolarHBondContact O-CB 3.35Å; P292-V312 CarbonylContact C-O 3.56Å; P292-V312 VanDerWaalsContact CA-O 3.29Å; P292-V312 WeakPolarHBondContact CA-O 3.38Å; Q293-V312 PolarHBondContact N-O 2.59Å; M294-V312 HydrophobicContact CB-CG2 4.24Å; M294-V312 PolarHBondContact O-N 3.46Å; L296-V312 HydrophobicContact CD2-CG2 3.62Å; V312-V315 HydrophobicContact CG1-CG1 3.55Å; V312-I320 HydrophobicContact CG1-CB 4.32Å; V312-I320 HydrophobicContact CG1-CG2 4.45Å; V312-I320 HydrophobicContact CG2-CD1 4.32Å
313	E	98.4	Very high	97.8	Very high	58 Å²	58	34.7 Å²	34.7	27%	0.271	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-48.8	-179.2	-177.2	61.8	-174.3	0	0	111.2	T311 K321 H323 H329	T311-E313 PolarHBondContact O-N 3.44Å; E313-K321 HydrophobicContact CB-CD 4.5Å; E313-K321 PolarHBondContact N-O 3.05Å; E313-H323 HydrophobicContact CB-CB 4.06Å; E313-H329 IonicContact OE1-CE1 3.75Å
314	E	98.4	Very high	97.9	Very high	87 Å²	87	32.5 Å²	32.5	41%	0.407	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	160.3	179.1	-64.6	169.2	-119.2	0	0	110.6	K321 W334	E314-K321 HydrophobicContact CB-CB 3.78Å; E314-K321 HydrophobicContact CB-CD 3.9Å; E314-K321 HydrophobicContact CG-CD 3.91Å; E314-K321 PolarHBondContact O-N 3.02Å; E314-K321 WeakPolarHBondContact OE1-CD 3.44Å; E314-K321 WeakPolarHBondContact OE1-CE 3.48Å; E314-K321 IonicContact OE1-NZ 3.52Å; E314-K321 PolarHBondContact OE1-NZ 3.18Å; E314-W334 HydrophobicContact CB-CH2 3.61Å; E314-W334 HydrophobicContact CB-CZ2 3.79Å
315	V	98.3	Very high	98.1	Very high	55 Å²	55	30 Å²	30	33%	0.333	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	140.1	-178.5	-66.1	0	0	0	0	111.7	H288 P292 V312 I320	H288-V315 WeakPolarHBondContact CE1-CB 3.37Å; H288-V315 WeakPolarHBondContact CE1-CG1 3.29Å; P292-V315 HydrophobicContact CG-CG1 4.4Å; P292-V315 HydrophobicContact CG-CG2 4.19Å; V312-V315 HydrophobicContact CG1-CG1 3.55Å; V315-I320 HydrophobicContact CG1-CG2 4.34Å
316	E	97.1	Very high	98	Very high	86 Å²	86	31.4 Å²	31.4	40%	0.402	17%	0.168	S	C	.	.			trans	-117	-171.7	165.1	-73.6	178.9	176.3	0	0	109.5	H288 H318 R319 W334	H288-E316 PolarHBondContact CE1-O 2.88Å; H288-E316 VanDerWaalsContact CE1-O 3.31Å; H288-E316 PolarHBondContact NE2-O 2.93Å; E316-H318 PolarHBondContact O-N 3.21Å; E316-R319 HydrophobicContact CB-CB 4.35Å; E316-R319 PolarHBondContact N-O 2.85Å; E316-R319 IonicContact OE1-CZ 2.75Å; E316-R319 IonicContact OE1-NH2 3Å; E316-R319 PolarHBondContact OE1-NH2 3.37Å; E316-R319 IonicContact OE2-CZ 2.91Å; E316-R319 IonicContact OE2-NE 2.89Å; E316-R319 PolarHBondContact OE2-NE 3.31Å; E316-R319 IonicContact OE2-NH2 2.66Å; E316-R319 PolarHBondContact OE2-NH2 3.15Å; E316-W334 HydrophobicContact CB-CZ3 4.21Å; E316-W334 HydrophobicContact CG-CH2 3.75Å; E316-W334 HydrophobicContact CG-CZ3 3.76Å
317	T	96.4	Very high	97.9	Very high	82 Å²	82	34.1 Å²	34.1	50%	0.503	18%	0.175	S	C	.	.	S	Bend	trans	-60.9	-40.4	179.4	-41	0	0	0	0	113.7	P287 H288	P287-T317 VanDerWaalsContact CA-O 3.25Å; P287-T317 WeakPolarHBondContact CA-O 3.4Å; P287-T317 HydrophobicContact CB-CG2 3.71Å; P287-T317 HydrophobicContact CG-CG2 3.65Å; H288-T317 PolarHBondContact CD2-O 3.49Å; H288-T317 PolarHBondContact N-O 3.17Å; H288-T317 VanDerWaalsContact N-O 3.15Å
318	H	97.1	Very high	97.8	Very high	34 Å²	34	37.4 Å²	37.4	16%	0.157	20%	0.198	C	C	.	.	S	Bend	trans	-133.1	5.2	-173.3	-56.5	-63.5	0	0	0	113.8	P236 R285 E316 S337	P236-H318 HydrophobicContact CB-CB 4.37Å; P236-H318 WeakPolarHBondContact CB-CD2 3.28Å; P236-H318 HydrophobicContact CG-CB 3.93Å; R285-H318 PolarHBondContact O-CE1 2.58Å; E316-H318 PolarHBondContact O-N 3.21Å; H318-S337 PolarHBondContact O-N 3.46Å; H318-S337 PolarHBondContact O-OG 2.69Å
319	R	97.8	Very high	97.6	Very high	61 Å²	61	41.3 Å²	41.3	23%	0.23	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	151.7	-179.4	-56.3	-166.2	-63.4	175.8	4.1	111.2	Y237 H288 E316 W334 M335 D336	Y237-R319 WeakPolarHBondContact OH-CD 3.46Å; Y237-R319 WeakPolarHBondContact OH-CG 3.32Å; H288-R319 VanDerWaalsContact NE2-CA 3.34Å; H288-R319 WeakPolarHBondContact NE2-CA 3.47Å; H288-R319 PolarHBondContact NE2-N 3.05Å; H288-R319 PolarHBondContact NE2-O 2.94Å; E316-R319 HydrophobicContact CB-CB 4.35Å; E316-R319 PolarHBondContact N-O 2.85Å; E316-R319 IonicContact OE1-CZ 2.75Å; E316-R319 IonicContact OE1-NH2 3Å; E316-R319 PolarHBondContact OE1-NH2 3.37Å; E316-R319 IonicContact OE2-CZ 2.91Å; E316-R319 IonicContact OE2-NE 2.89Å; E316-R319 PolarHBondContact OE2-NE 3.31Å; E316-R319 IonicContact OE2-NH2 2.66Å; E316-R319 PolarHBondContact OE2-NH2 3.15Å; R319-W334 HydrophobicContact CB-CE3 3.87Å; R319-W334 HydrophobicContact CB-CZ3 4.26Å; R319-M335 CarbonylContact C-O 3.58Å; R319-M335 VanDerWaalsContact CA-O 3.25Å; R319-M335 WeakPolarHBondContact CA-O 3.5Å; R319-M335 WeakPolarHBondContact CB-O 3.41Å; R319-D336 WeakPolarHBondContact CG-OD1 3.3Å
320	I	98.5	Very high	97.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	146.9	171.1	64.2	176.6	0	0	0	109	F290 L296 V312 V315 V322 W334 M335 I342	F290-I320 HydrophobicContact CB-CG2 3.84Å; F290-I320 HydrophobicContact CD2-CG2 4.03Å; F290-I320 HydrophobicContact CG-CG2 4.02Å; L296-I320 HydrophobicContact CD2-CD1 3.9Å; V312-I320 HydrophobicContact CG1-CB 4.32Å; V312-I320 HydrophobicContact CG1-CG2 4.45Å; V312-I320 HydrophobicContact CG2-CD1 4.32Å; V315-I320 HydrophobicContact CG1-CG2 4.34Å; I320-V322 HydrophobicContact CD1-CG2 4.16Å; I320-V322 HydrophobicContact CG1-CG2 4.06Å; I320-W334 VanDerWaalsContact C-CE3 3.46Å; I320-M335 PolarHBondContact N-O 3.26Å; I320-M335 PolarHBondContact O-N 3.49Å; I320-I342 HydrophobicContact CD1-CD1 3.55Å; I320-I342 HydrophobicContact CG1-CD1 4.22Å
321	K	98.6	Very high	97.2	Very high	30 Å²	30	50.6 Å²	50.6	13%	0.13	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.6	170.8	-168	-172.1	177.8	-133.4	0	108.6	E313 E314 D332 E333 W334	E313-K321 HydrophobicContact CB-CD 4.5Å; E313-K321 PolarHBondContact N-O 3.05Å; E314-K321 HydrophobicContact CB-CB 3.78Å; E314-K321 HydrophobicContact CB-CD 3.9Å; E314-K321 HydrophobicContact CG-CD 3.91Å; E314-K321 PolarHBondContact O-N 3.02Å; E314-K321 WeakPolarHBondContact OE1-CD 3.44Å; E314-K321 WeakPolarHBondContact OE1-CE 3.48Å; E314-K321 IonicContact OE1-NZ 3.52Å; E314-K321 PolarHBondContact OE1-NZ 3.18Å; K321-D332 HydrophobicContact CD-CB 4.38Å; K321-D332 HydrophobicContact CG-CB 4.22Å; K321-D332 IonicContact NZ-OD2 2.75Å; K321-D332 PolarHBondContact NZ-OD2 3.47Å; K321-E333 CarbonylContact C-O 3.58Å; K321-E333 WeakPolarHBondContact CA-O 3.19Å; K321-W334 HydrophobicContact CB-CD2 3.84Å; K321-W334 HydrophobicContact CB-CE3 3.89Å; K321-W334 HydrophobicContact CB-CH2 3.96Å; K321-W334 HydrophobicContact CB-CZ2 3.9Å; K321-W334 HydrophobicContact CB-CZ3 3.95Å; K321-W334 HydrophobicContact CD-CZ2 4.17Å; K321-W334 HydrophobicContact CG-CD2 4.23Å; K321-W334 HydrophobicContact CG-CG 4.48Å; K321-W334 HydrophobicContact CG-CZ2 4.4Å
322	V	98.6	Very high	97.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	119.2	-175.5	-178.1	0	0	0	0	109.2	A298 A310 I320 Y324 D332 E333 M335 I342	A298-V322 HydrophobicContact CB-CG1 3.71Å; A310-V322 HydrophobicContact CB-CG1 3.75Å; I320-V322 HydrophobicContact CD1-CG2 4.16Å; I320-V322 HydrophobicContact CG1-CG2 4.06Å; V322-Y324 HydrophobicContact CG1-CE1 4.32Å; V322-D332 VanDerWaalsContact O-CA 3.3Å; V322-D332 WeakPolarHBondContact O-CA 3.25Å; V322-E333 PolarHBondContact N-O 3.45Å; V322-E333 PolarHBondContact O-N 3.14Å; V322-E333 VanDerWaalsContact O-N 3.12Å; V322-M335 HydrophobicContact CB-SD 4.37Å; V322-M335 HydrophobicContact CG2-CB 4.4Å; V322-M335 HydrophobicContact CG2-CG 4.21Å; V322-M335 HydrophobicContact CG2-SD 3.84Å; V322-I342 HydrophobicContact CG2-CG2 4.28Å
323	H	98.6	Very high	96.9	Very high	22 Å²	22	54.6 Å²	54.6	10%	0.102	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	134.6	168.3	173.5	72.8	0	0	0	109.8	A310 T311 E313 D325 W327 H329 D332	A310-H323 CarbonylContact C-O 3.02Å; A310-H323 WeakPolarHBondContact CA-O 3.39Å; A310-H323 VanDerWaalsContact CB-O 3.23Å; A310-H323 WeakPolarHBondContact CB-O 3.49Å; T311-H323 PolarHBondContact N-O 2.82Å; T311-H323 PolarHBondContact O-N 2.69Å; E313-H323 HydrophobicContact CB-CB 4.06Å; H323-D325 IonicContact CD2-OD1 3.76Å; H323-W327 PolarHBondContact CE1-O 3.22Å; H323-H329 AromaticContact CE1-CE1 3.86Å; H323-H329 AromaticContact CE1-ND1 3.94Å; H323-H329 AromaticContact ND1-CE1 3.73Å; H323-H329 AromaticContact ND1-ND1 3.53Å; H323-D332 IonicContact CE1-OD1 3.25Å; H323-D332 IonicContact CG-OD1 3.95Å; H323-D332 IonicContact ND1-OD1 2.71Å; H323-D332 PolarHBondContact ND1-OD1 3.1Å
324	Y	98.1	Very high	96.8	Very high	9 Å²	9	55.6 Å²	55.6	4%	0.035	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	116.8	173.7	-58.2	-67.4	0	0	0	110.4	A298 V299 D300 K301 R308 A310 V322 G326 W327 Y331	A298-Y324 HydrophobicContact CB-CE1 4.13Å; V299-Y324 PolarHBondContact O-OH 2.94Å; D300-Y324 WeakPolarHBondContact CA-OH 3.5Å; K301-Y324 PolarHBondContact N-OH 2.87Å; R308-Y324 HydrophobicContact CB-CD1 3.77Å; R308-Y324 HydrophobicContact CB-CE1 4.37Å; R308-Y324 HydrophobicContact CG-CD1 4.2Å; A310-Y324 HydrophobicContact CB-CD1 4.33Å; V322-Y324 HydrophobicContact CG1-CE1 4.32Å; Y324-G326 PolarHBondContact O-N 3.31Å; Y324-W327 WeakPolarHBondContact O-CB 3.36Å; Y324-W327 PolarHBondContact O-N 3.26Å; Y324-Y331 WeakPolarHBondContact CE2-O 3.45Å
325	D	97.8	Very high	96.7	Very high	6 Å²	6	52.4 Å²	52.4	3%	0.032	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	124.7	-166.9	-77	11.1	0	0	0	112.6	Y52 K295 V309 T311 H323 W327 P358	Y52-D325 WeakPolarHBondContact CE1-OD2 3.41Å; Y52-D325 PolarHBondContact OH-OD2 3.16Å; Y52-D325 VanDerWaalsContact OH-OD2 3.11Å; K295-D325 IonicContact NZ-OD1 3.64Å; K295-D325 IonicContact NZ-OD2 2.66Å; K295-D325 PolarHBondContact NZ-OD2 3.41Å; V309-D325 HydrophobicContact CG1-CB 4.01Å; V309-D325 WeakPolarHBondContact CG1-OD2 3.37Å; V309-D325 PolarHBondContact O-N 3.43Å; V309-D325 VanDerWaalsContact O-N 3.07Å; T311-D325 WeakPolarHBondContact CB-OD1 3.32Å; T311-D325 PolarHBondContact N-OD1 3.34Å; T311-D325 PolarHBondContact OG1-OD1 2.78Å; T311-D325 PolarHBondContact OG1-OD2 2.8Å; H323-D325 IonicContact CD2-OD1 3.76Å; D325-W327 VanDerWaalsContact C-N 3.34Å; D325-P358 HydrophobicContact CB-CB 4.19Å; D325-P358 HydrophobicContact CB-CG 3.71Å; D325-P358 WeakPolarHBondContact O-CA 3.24Å; D325-P358 WeakPolarHBondContact O-CB 3.38Å
326	G	95.2	Very high	96.6	Very high	54 Å²	54	50.5 Å²	50.5	56%	0.557	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	10.7	-178	0	0	0	0	0	114.8	Y324	Y324-G326 PolarHBondContact O-N 3.31Å
327	W	95.3	Very high	96.7	Very high	104 Å²	104	46.7 Å²	46.7	39%	0.394	24%	0.241	S	C	.	.	S	Bend	trans	-103.2	172.3	170.2	-65.2	72.3	0	0	0	111	R308 H323 Y324 D325 Y331 P359	R308-W327 VanDerWaalsContact NH1-CE2 3.3Å; H323-W327 PolarHBondContact CE1-O 3.22Å; Y324-W327 WeakPolarHBondContact O-CB 3.36Å; Y324-W327 PolarHBondContact O-N 3.26Å; D325-W327 VanDerWaalsContact C-N 3.34Å; W327-Y331 HydrophobicContact CB-CD2 4.16Å; W327-Y331 HydrophobicContact CE3-CD2 4.21Å; W327-Y331 HydrophobicContact CE3-CE2 4.08Å; W327-P359 HydrophobicContact CZ2-CG 4.19Å
328	S	95.6	Very high	96.7	Very high	69 Å²	69	45 Å²	45	48%	0.483	23%	0.229	S	C	.	.			trans	-78.8	142.1	176.8	175.9	0	0	0	0	111.2	V330 Y331	S328-V330 PolarHBondContact O-N 3.14Å; S328-Y331 VanDerWaalsContact O-CD2 3.27Å; S328-Y331 WeakPolarHBondContact O-CD2 3.24Å; S328-Y331 PolarHBondContact O-N 3.02Å
329	H	94.8	Very high	96.7	Very high	105 Å²	105	46 Å²	46	49%	0.486	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-58.4	-9.7	176.7	-69.1	-79.4	0	0	0	115.2	E313 H323 Y331 D332	E313-H329 IonicContact OE1-CE1 3.75Å; H323-H329 AromaticContact CE1-CE1 3.86Å; H323-H329 AromaticContact CE1-ND1 3.94Å; H323-H329 AromaticContact ND1-CE1 3.73Å; H323-H329 AromaticContact ND1-ND1 3.53Å; H329-Y331 PolarHBondContact O-N 3.42Å; H329-D332 WeakPolarHBondContact CA-OD1 3.4Å; H329-D332 IonicContact CE1-OD2 3.76Å; H329-D332 IonicContact CG-OD2 3.8Å; H329-D332 IonicContact ND1-OD1 2.64Å; H329-D332 IonicContact ND1-OD2 3.86Å; H329-D332 PolarHBondContact ND1-OD2 3.49Å; H329-D332 WeakPolarHBondContact O-CB 3.41Å; H329-D332 PolarHBondContact O-N 2.92Å
330	V	94.1	Very high	96.7	Very high	109 Å²	109	46.1 Å²	46.1	66%	0.661	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-65.7	-11.7	168.3	76.7	0	0	0	0	113.2	S328	S328-V330 PolarHBondContact O-N 3.14Å
331	Y	94.6	Very high	96.7	Very high	87 Å²	87	47.6 Å²	47.6	34%	0.341	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-105.9	4.9	175.6	-52.9	-60.1	0	0	0	113.2	Y324 W327 S328 H329	Y324-Y331 WeakPolarHBondContact CE2-O 3.45Å; W327-Y331 HydrophobicContact CB-CD2 4.16Å; W327-Y331 HydrophobicContact CE3-CD2 4.21Å; W327-Y331 HydrophobicContact CE3-CE2 4.08Å; S328-Y331 VanDerWaalsContact O-CD2 3.27Å; S328-Y331 WeakPolarHBondContact O-CD2 3.24Å; S328-Y331 PolarHBondContact O-N 3.02Å; H329-Y331 PolarHBondContact O-N 3.42Å
332	D	96.4	Very high	96.7	Very high	22 Å²	22	46.1 Å²	46.1	12%	0.118	24%	0.244	C	C	.	.			trans	-70.5	129.7	174.8	-63.3	-3.7	0	0	0	110.1	K321 V322 H323 H329	K321-D332 HydrophobicContact CD-CB 4.38Å; K321-D332 HydrophobicContact CG-CB 4.22Å; K321-D332 IonicContact NZ-OD2 2.75Å; K321-D332 PolarHBondContact NZ-OD2 3.47Å; V322-D332 VanDerWaalsContact O-CA 3.3Å; V322-D332 WeakPolarHBondContact O-CA 3.25Å; H323-D332 IonicContact CE1-OD1 3.25Å; H323-D332 IonicContact CG-OD1 3.95Å; H323-D332 IonicContact ND1-OD1 2.71Å; H323-D332 PolarHBondContact ND1-OD1 3.1Å; H329-D332 WeakPolarHBondContact CA-OD1 3.4Å; H329-D332 IonicContact CE1-OD2 3.76Å; H329-D332 IonicContact CG-OD2 3.8Å; H329-D332 IonicContact ND1-OD1 2.64Å; H329-D332 IonicContact ND1-OD2 3.86Å; H329-D332 PolarHBondContact ND1-OD2 3.49Å; H329-D332 WeakPolarHBondContact O-CB 3.41Å; H329-D332 PolarHBondContact O-N 2.92Å
333	E	94.4	Very high	96.7	Very high	67 Å²	67	46.1 Å²	46.1	31%	0.313	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	140.8	-173.1	-173.8	72.5	-149.6	0	0	111.3	K301 K321 V322 M335	K301-E333 HydrophobicContact CD-CG 3.73Å; K301-E333 VanDerWaalsContact NZ-CD 3.3Å; K301-E333 IonicContact NZ-OE1 2.76Å; K301-E333 PolarHBondContact NZ-OE1 2.95Å; K301-E333 IonicContact NZ-OE2 3.66Å; K321-E333 CarbonylContact C-O 3.58Å; K321-E333 WeakPolarHBondContact CA-O 3.19Å; V322-E333 PolarHBondContact N-O 3.45Å; V322-E333 PolarHBondContact O-N 3.14Å; V322-E333 VanDerWaalsContact O-N 3.12Å; E333-M335 HydrophobicContact CG-CG 4.38Å
334	W	96.2	Very high	96.7	Very high	78 Å²	78	45.2 Å²	45.2	30%	0.295	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	124.5	170.5	-78.6	101.4	0	0	0	110.6	E314 E316 R319 I320 K321	E314-W334 HydrophobicContact CB-CH2 3.61Å; E314-W334 HydrophobicContact CB-CZ2 3.79Å; E316-W334 HydrophobicContact CB-CZ3 4.21Å; E316-W334 HydrophobicContact CG-CH2 3.75Å; E316-W334 HydrophobicContact CG-CZ3 3.76Å; R319-W334 HydrophobicContact CB-CE3 3.87Å; R319-W334 HydrophobicContact CB-CZ3 4.26Å; I320-W334 VanDerWaalsContact C-CE3 3.46Å; K321-W334 HydrophobicContact CB-CD2 3.84Å; K321-W334 HydrophobicContact CB-CE3 3.89Å; K321-W334 HydrophobicContact CB-CH2 3.96Å; K321-W334 HydrophobicContact CB-CZ2 3.9Å; K321-W334 HydrophobicContact CB-CZ3 3.95Å; K321-W334 HydrophobicContact CD-CZ2 4.17Å; K321-W334 HydrophobicContact CG-CD2 4.23Å; K321-W334 HydrophobicContact CG-CG 4.48Å; K321-W334 HydrophobicContact CG-CZ2 4.4Å
335	M	96.5	Very high	96.7	Very high	20 Å²	20	46 Å²	46	10%	0.099	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	146.5	178.6	-59.6	-176.1	72.2	0	0	110.2	R319 I320 V322 E333 H339 D341 I342	R319-M335 CarbonylContact C-O 3.58Å; R319-M335 VanDerWaalsContact CA-O 3.25Å; R319-M335 WeakPolarHBondContact CA-O 3.5Å; R319-M335 WeakPolarHBondContact CB-O 3.41Å; I320-M335 PolarHBondContact N-O 3.26Å; I320-M335 PolarHBondContact O-N 3.49Å; V322-M335 HydrophobicContact CB-SD 4.37Å; V322-M335 HydrophobicContact CG2-CB 4.4Å; V322-M335 HydrophobicContact CG2-CG 4.21Å; V322-M335 HydrophobicContact CG2-SD 3.84Å; E333-M335 HydrophobicContact CG-CG 4.38Å; M335-H339 HydrophobicContact CE-CB 4.35Å; M335-H339 VanDerWaalsContact CE-ND1 3.35Å; M335-H339 WeakPolarHBondContact CE-ND1 3.43Å; M335-D341 HydrophobicContact CE-CB 4.36Å; M335-I342 HydrophobicContact CE-CG2 3.81Å; M335-I342 HydrophobicContact SD-CG2 3.77Å
336	D	97.6	Very high	96.7	Very high	16 Å²	16	46.6 Å²	46.6	9%	0.086	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	142.2	171.3	-63.7	-53.1	0	0	0	110.2	R197 Y237 R319 D338 H339	R197-D336 IonicContact CZ-OD2 3.2Å; R197-D336 IonicContact NE-OD2 2.71Å; R197-D336 IonicContact NH2-OD2 2.76Å; R197-D336 PolarHBondContact NH2-OD2 3.24Å; Y237-D336 WeakPolarHBondContact CE2-OD1 3.27Å; Y237-D336 VanDerWaalsContact CZ-OD1 3.32Å; Y237-D336 PolarHBondContact OH-OD1 3.27Å; R319-D336 WeakPolarHBondContact CG-OD1 3.3Å; D336-D338 WeakPolarHBondContact CB-OD1 3.41Å; D336-D338 PolarHBondContact O-N 3.42Å; D336-D338 VanDerWaalsContact O-N 3.14Å; D336-H339 HydrophobicContact CB-CB 4.42Å; D336-H339 WeakPolarHBondContact O-CB 3.22Å; D336-H339 PolarHBondContact O-N 2.85Å
337	S	97.4	Very high	96.8	Very high	6 Å²	6	44.1 Å²	44.1	4%	0.042	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-14.9	-173.6	60.5	0	0	0	0	114.5	Q70 H288 H318	Q70-S337 PolarHBondContact NE2-O 3.16Å; H288-S337 WeakPolarHBondContact CD2-CB 3.36Å; H288-S337 PolarHBondContact CD2-OG 3.16Å; H318-S337 PolarHBondContact O-N 3.46Å; H318-S337 PolarHBondContact O-OG 2.69Å
338	D	96.9	Very high	97	Very high	47 Å²	47	39.2 Å²	39.2	25%	0.251	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	2.5	174.8	65.5	-44.4	0	0	0	113.2	Q70 R285 D336	Q70-D338 PolarHBondContact NE2-O 2.88Å; R285-D338 VanDerWaalsContact CZ-CG 3.47Å; R285-D338 IonicContact CZ-OD1 3.89Å; R285-D338 IonicContact CZ-OD2 2.77Å; R285-D338 IonicContact NH1-OD1 3.19Å; R285-D338 PolarHBondContact NH1-OD1 2.91Å; R285-D338 IonicContact NH1-OD2 2.72Å; R285-D338 PolarHBondContact NH1-OD2 2.83Å; R285-D338 IonicContact NH2-OD1 2.84Å; R285-D338 PolarHBondContact NH2-OD1 3.32Å; R285-D338 IonicContact NH2-OD2 3.99Å; R285-D338 PolarHBondContact NH2-OD2 3.02Å; D336-D338 WeakPolarHBondContact CB-OD1 3.41Å; D336-D338 PolarHBondContact O-N 3.42Å; D336-D338 VanDerWaalsContact O-N 3.14Å
339	H	97.8	Very high	97.1	Very high	55 Å²	55	43.5 Å²	43.5	26%	0.255	22%	0.223	S	C	.	.			trans	-56.4	134.3	-177.7	-164.4	-86.4	0	0	0	111.2	Q70 M335 D336 D341 I342	Q70-H339 WeakPolarHBondContact CG-O 3.36Å; Q70-H339 PolarHBondContact NE2-O 2.8Å; M335-H339 HydrophobicContact CE-CB 4.35Å; M335-H339 VanDerWaalsContact CE-ND1 3.35Å; M335-H339 WeakPolarHBondContact CE-ND1 3.43Å; D336-H339 HydrophobicContact CB-CB 4.42Å; D336-H339 WeakPolarHBondContact O-CB 3.22Å; D336-H339 PolarHBondContact O-N 2.85Å; H339-D341 IonicContact CE1-OD2 2.84Å; H339-D341 PolarHBondContact CE1-OD2 3.11Å; H339-D341 PolarHBondContact ND1-N 3.3Å; H339-D341 IonicContact ND1-OD2 3.14Å; H339-D341 PolarHBondContact O-N 2.97Å; H339-D341 VanDerWaalsContact O-N 3.1Å; H339-I342 HydrophobicContact CB-CG1 4.44Å; H339-I342 VanDerWaalsContact O-CG1 3.31Å; H339-I342 WeakPolarHBondContact O-CG1 3.47Å; H339-I342 PolarHBondContact O-N 3.36Å
340	P	97.4	Very high	97.2	Very high	63 Å²	63	41.6 Å²	41.6	41%	0.409	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-14.2	-170.1	25.9	-35.9	0	0	0	114.8	N125 H343	N125-P340 PolarHBondContact ND2-O 3.47Å; P340-H343 PolarHBondContact O-CE1 2.88Å; P340-H343 PolarHBondContact O-NE2 3.32Å
341	D	98.4	Very high	97.4	Very high	30 Å²	30	37.6 Å²	37.6	16%	0.16	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	12.2	-178	-69.8	-59.3	0	0	0	114.8	R108 V299 M335 H339	R108-D341 IonicContact CZ-OD1 2.69Å; R108-D341 IonicContact NE-OD1 3.32Å; R108-D341 IonicContact NH2-OD1 3.76Å; R108-D341 PolarHBondContact NH2-OD1 2.91Å; V299-D341 HydrophobicContact CB-CB 3.83Å; V299-D341 HydrophobicContact CG2-CB 3.63Å; V299-D341 WeakPolarHBondContact CG2-OD1 3.45Å; V299-D341 PolarHBondContact N-O 3.3Å; V299-D341 VanDerWaalsContact N-O 3.07Å; M335-D341 HydrophobicContact CE-CB 4.36Å; H339-D341 IonicContact CE1-OD2 2.84Å; H339-D341 PolarHBondContact CE1-OD2 3.11Å; H339-D341 PolarHBondContact ND1-N 3.3Å; H339-D341 IonicContact ND1-OD2 3.14Å; H339-D341 PolarHBondContact O-N 2.97Å; H339-D341 VanDerWaalsContact O-N 3.1Å
342	I	98.4	Very high	97.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.9	168.4	56.6	168.1	0	0	0	110.6	Q70 L296 A298 I320 V322 M335 H339	Q70-I342 WeakPolarHBondContact CB-O 3.37Å; Q70-I342 WeakPolarHBondContact CG-O 3.28Å; Q70-I342 VanDerWaalsContact NE2-CG1 3.3Å; L296-I342 HydrophobicContact CD1-CB 4.49Å; L296-I342 HydrophobicContact CD1-CG2 4.44Å; A298-I342 HydrophobicContact CB-CG2 4Å; I320-I342 HydrophobicContact CD1-CD1 3.55Å; I320-I342 HydrophobicContact CG1-CD1 4.22Å; V322-I342 HydrophobicContact CG2-CG2 4.28Å; M335-I342 HydrophobicContact CE-CG2 3.81Å; M335-I342 HydrophobicContact SD-CG2 3.77Å; H339-I342 HydrophobicContact CB-CG1 4.44Å; H339-I342 VanDerWaalsContact O-CG1 3.31Å; H339-I342 WeakPolarHBondContact O-CG1 3.47Å; H339-I342 PolarHBondContact O-N 3.36Å
343	H	98.8	Very high	97.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	153.6	-162.6	-59.4	-65.8	0	0	0	112.6	F66 Q70 L296 E297 P340 W347	F66-H343 WeakPolarHBondContact CZ-O 3.37Å; Q70-H343 PolarHBondContact O-ND1 2.83Å; L296-H343 WeakPolarHBondContact CB-O 3.47Å; E297-H343 HydrophobicContact CB-CB 4.14Å; E297-H343 PolarHBondContact N-O 3.11Å; E297-H343 PolarHBondContact O-N 3.19Å; P340-H343 PolarHBondContact O-CE1 2.88Å; P340-H343 PolarHBondContact O-NE2 3.32Å; H343-W347 HydrophobicContact CB-CB 3.68Å; H343-W347 HydrophobicContact CB-CD2 4.08Å; H343-W347 HydrophobicContact CB-CG 3.65Å; H343-W347 AromaticContact CE1-CE2 3.58Å; H343-W347 AromaticContact CE1-CZ2 3.57Å; H343-W347 AromaticContact CE1-NE1 3.91Å; H343-W347 AromaticContact CG-CD1 3.98Å; H343-W347 AromaticContact CG-CD2 3.71Å; H343-W347 AromaticContact CG-CE2 3.92Å; H343-W347 AromaticContact CG-CG 3.78Å; H343-W347 AromaticContact ND1-CD1 3.7Å; H343-W347 AromaticContact ND1-CD2 3.77Å; H343-W347 AromaticContact ND1-CE2 3.47Å; H343-W347 AromaticContact ND1-CG 3.93Å; H343-W347 AromaticContact ND1-CZ2 3.96Å; H343-W347 AromaticContact ND1-NE1 3.43Å; H343-W347 PolarHBondContact ND1-NE1 3.18Å; H343-W347 AromaticContact NE2-CH2 3.96Å; H343-W347 AromaticContact NE2-CZ2 3.94Å
344	P	98.6	Very high	97.8	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.013	22%	0.217	C	C	.	.			trans	-65.7	153.1	172.1	28	-34.6	0	0	0	111.8	F66 Q70 G346 W347	F66-P344 HydrophobicContact CD2-CB 3.94Å; F66-P344 HydrophobicContact CD2-CG 4.43Å; F66-P344 HydrophobicContact CE2-CB 3.77Å; F66-P344 HydrophobicContact CZ-CB 4.25Å; Q70-P344 WeakPolarHBondContact O-CD 3.22Å; P344-G346 PolarHBondContact O-N 2.89Å; P344-W347 VanDerWaalsContact O-CB 3.3Å; P344-W347 WeakPolarHBondContact O-CB 3.44Å; P344-W347 PolarHBondContact O-N 2.91Å; P344-W347 VanDerWaalsContact O-N 3.16Å
345	A	98.4	Very high	97.9	Very high	27 Å²	27	33.9 Å²	33.9	22%	0.223	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	128.4	173.5	0	0	0	0	0	111.5	W49 A60	W49-A345 HydrophobicContact CD2-CB 3.64Å; W49-A345 HydrophobicContact CE3-CB 4.05Å; W49-A345 HydrophobicContact CG-CB 4Å; W49-A345 HydrophobicContact CH2-CB 4.31Å; W49-A345 HydrophobicContact CZ2-CB 3.95Å; W49-A345 HydrophobicContact CZ3-CB 4.37Å; A60-A345 HydrophobicContact CB-CB 3.85Å
346	G	97.6	Very high	97.9	Very high	17 Å²	17	37.4 Å²	37.4	18%	0.175	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	97.8	-0.5	-175.3	0	0	0	0	0	114.5	E297 P344 E349 A350	E297-G346 WeakPolarHBondContact OE1-CA 3.15Å; E297-G346 PolarHBondContact OE1-N 3.01Å; P344-G346 PolarHBondContact O-N 2.89Å; G346-E349 PolarHBondContact O-N 2.86Å; G346-A350 WeakPolarHBondContact O-CB 3.34Å; G346-A350 PolarHBondContact O-N 2.85Å
347	W	98.6	Very high	97.9	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.011	24%	0.243	C	C	.	.	H	α-helix	trans	-64.9	-44.3	179.7	-172.9	100.8	0	0	0	112.4	Q70 S71 V72 Y107 R108 E297 I307 H343 P344 E349 A350 T351 H353	Q70-W347 PolarHBondContact O-NE1 3.3Å; S71-W347 PolarHBondContact O-NE1 3.24Å; V72-W347 HydrophobicContact CG2-CB 4.43Å; V72-W347 HydrophobicContact CG2-CG 4.45Å; Y107-W347 HydrophobicContact CD1-CZ2 4.23Å; R108-W347 HydrophobicContact CG-CH2 3.79Å; R108-W347 HydrophobicContact CG-CZ3 4.31Å; E297-W347 PolarHBondContact OE2-N 2.78Å; I307-W347 HydrophobicContact CD1-CE3 4Å; I307-W347 HydrophobicContact CD1-CZ3 3.58Å; H343-W347 HydrophobicContact CB-CB 3.68Å; H343-W347 HydrophobicContact CB-CD2 4.08Å; H343-W347 HydrophobicContact CB-CG 3.65Å; H343-W347 AromaticContact CE1-CE2 3.58Å; H343-W347 AromaticContact CE1-CZ2 3.57Å; H343-W347 AromaticContact CE1-NE1 3.91Å; H343-W347 AromaticContact CG-CD1 3.98Å; H343-W347 AromaticContact CG-CD2 3.71Å; H343-W347 AromaticContact CG-CE2 3.92Å; H343-W347 AromaticContact CG-CG 3.78Å; H343-W347 AromaticContact ND1-CD1 3.7Å; H343-W347 AromaticContact ND1-CD2 3.77Å; H343-W347 AromaticContact ND1-CE2 3.47Å; H343-W347 AromaticContact ND1-CG 3.93Å; H343-W347 AromaticContact ND1-CZ2 3.96Å; H343-W347 AromaticContact ND1-NE1 3.43Å; H343-W347 PolarHBondContact ND1-NE1 3.18Å; H343-W347 AromaticContact NE2-CH2 3.96Å; H343-W347 AromaticContact NE2-CZ2 3.94Å; P344-W347 VanDerWaalsContact O-CB 3.3Å; P344-W347 WeakPolarHBondContact O-CB 3.44Å; P344-W347 PolarHBondContact O-N 2.91Å; P344-W347 VanDerWaalsContact O-N 3.16Å; W347-E349 VanDerWaalsContact C-N 3.34Å; W347-E349 PolarHBondContact O-N 2.87Å; W347-A350 PolarHBondContact O-N 2.89Å; W347-T351 HydrophobicContact CD2-CG2 3.86Å; W347-T351 HydrophobicContact CE3-CG2 4.11Å; W347-T351 HydrophobicContact CG-CG2 4.42Å; W347-T351 HydrophobicContact CH2-CG2 4.18Å; W347-T351 HydrophobicContact CZ2-CG2 3.93Å; W347-T351 HydrophobicContact CZ3-CG2 4.26Å; W347-T351 WeakPolarHBondContact O-CB 3.19Å; W347-T351 VanDerWaalsContact O-CG2 3.31Å; W347-T351 WeakPolarHBondContact O-CG2 3.33Å; W347-T351 PolarHBondContact O-N 3.32Å; W347-T351 PolarHBondContact O-OG1 3.01Å; W347-H353 HydrophobicContact CZ3-CB 4.29Å
348	C	98.5	Very high	97.7	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.007	25%	0.247	C	C	.	.	H	α-helix	trans	-55.9	-46.5	172.7	-96.9	0	0	0	0	112.1	E297 I307 T351 G352 H353 L355	E297-C348 VanDerWaalsContact OE2-CB 3.25Å; E297-C348 WeakPolarHBondContact OE2-CB 3.37Å; E297-C348 PolarHBondContact OE2-N 2.93Å; I307-C348 VanDerWaalsContact CG2-SG 3.6Å; C348-T351 PolarHBondContact O-N 2.89Å; C348-T351 PolarHBondContact O-OG1 3.38Å; C348-G352 CarbonylContact O-C 3.49Å; C348-G352 WeakPolarHBondContact O-CA 3.36Å; C348-G352 PolarHBondContact O-N 2.89Å; C348-H353 CarbonylContact C-O 3.6Å; C348-H353 WeakPolarHBondContact CB-O 3.4Å; C348-H353 PolarHBondContact O-N 3.09Å; C348-H353 PolarHBondContact SG-O 2.82Å; C348-L355 HydrophobicContact CB-CB 3.77Å; C348-L355 HydrophobicContact CB-CD1 4.48Å
349	E	97.2	Very high	97.4	Very high	158 Å²	158	41.6 Å²	41.6	74%	0.738	26%	0.257	S	S	*	.	H	α-helix	trans	-63.8	-47.6	179.1	-176.8	173.6	-169.3	0	0	111.4	G346 W347 T351 G352	G346-E349 PolarHBondContact O-N 2.86Å; W347-E349 VanDerWaalsContact C-N 3.34Å; W347-E349 PolarHBondContact O-N 2.87Å; E349-T351 VanDerWaalsContact C-N 3.34Å; E349-T351 PolarHBondContact O-N 2.82Å; E349-G352 PolarHBondContact O-N 2.93Å
350	A	97.6	Very high	96.4	Very high	66 Å²	66	46.7 Å²	46.7	55%	0.545	27%	0.274	S	S	.	.	H	α-helix	trans	-68.9	-28.9	-179.5	0	0	0	0	0	113.8	V72 G346 W347	V72-A350 HydrophobicContact CG1-CB 3.61Å; V72-A350 HydrophobicContact CG2-CB 4Å; G346-A350 WeakPolarHBondContact O-CB 3.34Å; G346-A350 PolarHBondContact O-N 2.85Å; W347-A350 PolarHBondContact O-N 2.89Å
351	T	97.9	Very high	94.5	Very high	25 Å²	25	49.4 Å²	49.4	15%	0.153	29%	0.285	C	S	.	.	H	α-helix	trans	-94.5	-13.3	179.2	58.8	0	0	0	0	114.3	P73 G106 W347 C348 E349	P73-T351 HydrophobicContact CG-CG2 4.07Å; G106-T351 CarbonylContact C-O 3.48Å; G106-T351 WeakPolarHBondContact CA-O 3.45Å; W347-T351 HydrophobicContact CD2-CG2 3.86Å; W347-T351 HydrophobicContact CE3-CG2 4.11Å; W347-T351 HydrophobicContact CG-CG2 4.42Å; W347-T351 HydrophobicContact CH2-CG2 4.18Å; W347-T351 HydrophobicContact CZ2-CG2 3.93Å; W347-T351 HydrophobicContact CZ3-CG2 4.26Å; W347-T351 WeakPolarHBondContact O-CB 3.19Å; W347-T351 VanDerWaalsContact O-CG2 3.31Å; W347-T351 WeakPolarHBondContact O-CG2 3.33Å; W347-T351 PolarHBondContact O-N 3.32Å; W347-T351 PolarHBondContact O-OG1 3.01Å; C348-T351 PolarHBondContact O-N 2.89Å; C348-T351 PolarHBondContact O-OG1 3.38Å; E349-T351 VanDerWaalsContact C-N 3.34Å; E349-T351 PolarHBondContact O-N 2.82Å
352	G	97.4	Very high	92	Very high	58 Å²	58	52.3 Å²	52.3	60%	0.598	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	18.9	-173.6	0	0	0	0	0	114.7	C348 E349	C348-G352 CarbonylContact O-C 3.49Å; C348-G352 WeakPolarHBondContact O-CA 3.36Å; C348-G352 PolarHBondContact O-N 2.89Å; E349-G352 PolarHBondContact O-N 2.93Å
353	H	98.4	Very high	89.4	Confident	6 Å²	6	61.3 Å²	61.3	3%	0.028	35%	0.352	C	S	.	.	P	Polyproline II helix	trans	-84.5	134.2	172.1	-168.2	-65.4	0	0	0	110	C105 W347 C348 L355	C105-H353 PolarHBondContact O-CD2 2.87Å; C105-H353 VanDerWaalsContact O-CD2 3.29Å; W347-H353 HydrophobicContact CZ3-CB 4.29Å; C348-H353 CarbonylContact C-O 3.6Å; C348-H353 WeakPolarHBondContact CB-O 3.4Å; C348-H353 PolarHBondContact O-N 3.09Å; C348-H353 PolarHBondContact SG-O 2.82Å; H353-L355 PolarHBondContact O-N 3.2Å
354	P	98.1	Very high	86.6	Confident	73 Å²	73	65.8 Å²	65.8	47%	0.474	38%	0.383	S	S	.	.	P	Polyproline II helix	trans	-64.1	124.4	175.9	-21.8	34	0	0	0	112	C105	C105-P354 WeakPolarHBondContact SG-CD 3.47Å
355	L	98.3	Very high	83.7	Confident	39 Å²	39	73.1 Å²	73.1	20%	0.204	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133	171.3	-175.8	58.5	0	0	0	110.4	W47 W49 E297 I307 V309 C348 H353	W47-L355 HydrophobicContact CH2-CD2 3.9Å; W47-L355 HydrophobicContact CZ3-CD2 3.59Å; W49-L355 HydrophobicContact CZ2-CD2 4.37Å; E297-L355 HydrophobicContact CG-CD1 3.93Å; E297-L355 HydrophobicContact CG-CD2 4.43Å; I307-L355 HydrophobicContact CG2-CD1 3.89Å; V309-L355 HydrophobicContact CG2-CD1 4.13Å; V309-L355 HydrophobicContact CG2-CD2 3.87Å; V309-L355 HydrophobicContact CG2-CG 3.99Å; C348-L355 HydrophobicContact CB-CB 3.77Å; C348-L355 HydrophobicContact CB-CD1 4.48Å; H353-L355 PolarHBondContact O-N 3.2Å
356	K	97.6	Very high	80.5	Confident	94 Å²	94	80.3 Å²	80.3	41%	0.409	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	107.8	171.2	-60.1	-56.8	-179.5	-176.7	0	109.7	L306 I307 R308 V309	L306-K356 HydrophobicContact CB-CG 4.32Å; L306-K356 HydrophobicContact CD2-CG 4.29Å; I307-K356 WeakPolarHBondContact O-CB 3.39Å; I307-K356 PolarHBondContact O-N 2.87Å; R308-K356 WeakPolarHBondContact CA-O 3.48Å; R308-K356 HydrophobicContact CG-CB 4.16Å; V309-K356 PolarHBondContact N-O 2.8Å; V309-K356 VanDerWaalsContact N-O 3.14Å
357	V	95.6	Very high	77.8	Confident	68 Å²	68	85.5 Å²	85.5	41%	0.412	48%	0.477	S	S	.	.	P	Polyproline II helix	trans	-68.2	158.9	175.9	-55.4	0	0	0	0	111.7	W47	W47-V357 HydrophobicContact CB-CG1 3.96Å; W47-V357 HydrophobicContact CD2-CB 4.28Å; W47-V357 HydrophobicContact CD2-CG1 3.45Å; W47-V357 VanDerWaalsContact CD2-CG1 3.45Å; W47-V357 HydrophobicContact CE3-CG1 3.77Å; W47-V357 HydrophobicContact CG-CB 4.21Å; W47-V357 HydrophobicContact CG-CG1 3.55Å; W47-V357 HydrophobicContact CZ3-CG1 4.48Å
358	P	94.6	Very high	74.8	Confident	18 Å²	18	94.5 Å²	94.5	12%	0.117	52%	0.519	C	S	.	.	P	Polyproline II helix	trans	-60	142.5	178.3	-25.5	36.9	0	0	0	112.5	Y52 V309 D325 R360	Y52-P358 HydrophobicContact CE1-CG 4.2Å; Y52-P358 HydrophobicContact CE2-CG 4.03Å; V309-P358 HydrophobicContact CB-CG 4.06Å; V309-P358 HydrophobicContact CG1-CG 3.89Å; D325-P358 HydrophobicContact CB-CB 4.19Å; D325-P358 HydrophobicContact CB-CG 3.71Å; D325-P358 WeakPolarHBondContact O-CA 3.24Å; D325-P358 WeakPolarHBondContact O-CB 3.38Å; P358-R360 PolarHBondContact O-N 2.87Å
359	P	89.3	Confident	71.7	Confident	70 Å²	70	97.9 Å²	97.9	46%	0.455	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-56.7	123.2	169.8	-23.6	34.1	0	0	0	111.1	W327	W327-P359 HydrophobicContact CZ2-CG 4.19Å
360	R	77.5	Confident	69	Low	163 Å²	163	97 Å²	97	62%	0.615	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-77.2	123.9	175.5	-76.1	-176.9	168.8	178.6	-5.4	110.1	P358 A362	P358-R360 PolarHBondContact O-N 2.87Å; R360-A362 PolarHBondContact O-N 3.05Å
361	D	58.7	Low	65.8	Low	119 Å²	119	105.3 Å²	105.3	64%	0.636	58%	0.576	S	S	*	*			trans	-68	110.8	-179.7	-145.3	-17.5	0	0	0	110.5	K363 S364	D361-K363 PolarHBondContact O-N 2.9Å; D361-S364 PolarHBondContact O-N 2.85Å; D361-S364 PolarHBondContact O-OG 3.38Å
362	A	45.4	Very low	62.5	Low	92 Å²	92	112.6 Å²	112.6	76%	0.76	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-3.8	-170.1	0	0	0	0	0	114.9	R360	R360-A362 PolarHBondContact O-N 3.05Å
363	K	42.9	Very low	59.7	Low	189 Å²	189	115.6 Å²	115.6	82%	0.822	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-10.5	178.8	-64.5	171.7	-174.7	162.1	0	113.7	D361	D361-K363 PolarHBondContact O-N 2.9Å
364	S	41	Very low	56.6	Low	93 Å²	93	121.1 Å²	121.1	65%	0.65	65%	0.654	S	S	*	*	S	Bend	trans	-81.8	-13.8	-179	56.7	0	0	0	0	114.3	D361	D361-S364 PolarHBondContact O-N 2.85Å; D361-S364 PolarHBondContact O-OG 3.38Å
365	Q	37.5	Very low	53.4	Low	157 Å²	157	122.7 Å²	122.7	73%	0.734	67%	0.673	S	S	*	*			trans	-104.3	74.3	-176.8	-67.4	-169.1	-9.4	0	0	113
366	Q	30.8	Very low	50.4	Low	177 Å²	177	129.1 Å²	129.1	83%	0.827	70%	0.704	S	S	*	*			trans	-124.7	119.8	150.3	-75.4	-160.9	1.1	0	0	109.9	H368	Q366-H368 PolarHBondContact O-N 3.33Å
367	P	40.2	Very low	47.2	Very low	127 Å²	127	128.4 Å²	128.4	83%	0.825	72%	0.723	S	S	*	*			trans	-69.1	129.2	171.1	28.8	-32.5	0	0	0	109.5	G369	P367-G369 PolarHBondContact O-N 2.9Å
368	H	36.9	Very low	44	Very low	192 Å²	192	133.1 Å²	133.1	89%	0.889	74%	0.741	S	S	*	*			trans	-66.3	93.8	178.6	-97.9	-67.7	0	0	0	111.5	Q366 V370	Q366-H368 PolarHBondContact O-N 3.33Å; H368-V370 PolarHBondContact O-N 3.3Å
369	G	32.9	Very low	40.8	Very low	72 Å²	72	138.2 Å²	138.2	74%	0.742	77%	0.767	S	S	*	*			trans	-68.5	107.6	168.7	0	0	0	0	0	111	P367	P367-G369 PolarHBondContact O-N 2.9Å
370	V	40.3	Very low	37.9	Very low	139 Å²	139	141.7 Å²	141.7	84%	0.842	79%	0.787	S	S	*	*			trans	-63.4	136.5	174.1	179	0	0	0	0	110.1	H368	H368-V370 PolarHBondContact O-N 3.3Å
371	R	31.1	Very low	35.7	Very low	241 Å²	241	143.4 Å²	143.4	91%	0.909	80%	0.795	S	S	*	*			trans	-144.5	117.9	171	-160.3	174.3	-170.7	179.5	3.1	111.3
372	E	28.9	Very low	34.8	Very low	177 Å²	177	143.3 Å²	143.3	83%	0.827	80%	0.801	S	S	*	*			trans	-76.9	155.6	177.8	-67.7	-175.1	118.5	0	0	112.7
373	P	38.6	Very low	34	Very low	122 Å²	122	144.3 Å²	144.3	79%	0.792	80%	0.798	S	S	*	*			trans	-99.4	153.4	-176.3	37.9	-34.4	0	0	0	114
374	P	33.6	Very low	33.3	Very low	121 Å²	121	142.1 Å²	142.1	79%	0.786	80%	0.8	S	S	*	*			trans	-113.8	123	164.3	34.8	-24.9	0	0	0	114.4
375	A	30.4	Very low	32.9	Very low	107 Å²	107	143.4 Å²	143.4	88%	0.884	80%	0.804	S	S	*	*			trans	61.7	142.2	142.8	0	0	0	0	0	122.9
376	M	34.8	Very low	32.8	Very low	174 Å²	174	141.7 Å²	141.7	86%	0.857	81%	0.807	S	S	*	*			trans	-81.9	154.6	174.4	-77	154.1	41.7	0	0	113.9
377	G	30.1	Very low	32.5	Very low	78 Å²	78	139.4 Å²	139.4	80%	0.804	81%	0.809	S	S	*	*			trans	-153.4	136.8	156.2	0	0	0	0	0	109.8
378	Q	29.5	Very low	32	Very low	167 Å²	167	142.9 Å²	142.9	78%	0.78	81%	0.811	S	S	*	*			trans	-118.2	141.1	-170.1	-72.7	-174.9	-44.9	0	0	114.3
379	N	26.6	Very low	31.9	Very low	125 Å²	125	138.9 Å²	138.9	67%	0.668	80%	0.802	S	S	*	*			trans	38.8	131.5	146.5	-68.7	-10	0	0	0	121.8
380	T	28.4	Very low	31.7	Very low	143 Å²	143	142.6 Å²	142.6	88%	0.877	80%	0.803	S	S	*	*				-160.9	141.4	107.4	11.5	0	0	0	0	112.1
381	Y	30.3	Very low	30.9	Very low	199 Å²	199	141.4 Å²	141.4	78%	0.78	80%	0.801	S	S	*	*			trans	-118.8	165.3	171.2	-60.1	-92.8	0	0	0	108.6
382	P	40.3	Very low	30.9	Very low	118 Å²	118	138.5 Å²	138.5	77%	0.766	80%	0.797	S	S	*	*				-134.9	141	84.7	8.3	16.2	0	0	0	114.3
383	T	28.4	Very low	31.4	Very low	113 Å²	113	135.6 Å²	135.6	69%	0.693	79%	0.794	S	S	*	*				77.1	118.2	83	-50.3	0	0	0	0	113.2
384	T	28.6	Very low	31.3	Very low	142 Å²	142	141.1 Å²	141.1	87%	0.871	80%	0.799	S	S	*	*				-131.3	155.9	84.6	47.5	0	0	0	0	116.3
385	V	32.2	Very low	30.9	Very low	121 Å²	121	142.1 Å²	142.1	73%	0.733	80%	0.803	S	S	*	*			trans	-145.8	162.6	175.9	-150.5	0	0	0	0	107.2
386	P	36.6	Very low	31.2	Very low	121 Å²	121	143.9 Å²	143.9	79%	0.786	80%	0.798	S	S	*	*				-153.5	145.1	101.2	37.1	-19.6	0	0	0	116.8
387	C	23.6	Very low	30.9	Very low	128 Å²	128	144.2 Å²	144.2	87%	0.865	79%	0.794	S	S	*	*			trans	-174	118.8	148.9	-106.7	0	0	0	0	113.8
388	K	30.1	Very low	31.2	Very low	201 Å²	201	150.6 Å²	150.6	87%	0.874	80%	0.796	S	S	*	*			trans	-164.8	166.6	166.4	-79.6	-158.1	179.8	176.6	0	107.2
389	P	34	Very low	31.1	Very low	107 Å²	107	146.8 Å²	146.8	70%	0.695	79%	0.787	S	S	*	*			cis	-140.8	157.3	15.8	39.2	-18.9	0	0	0	119.6
390	I	28.8	Very low	31.7	Very low	150 Å²	150	150 Å²	150	77%	0.769	80%	0.796	S	S	*	*			trans	55.7	122.8	132.9	-57.9	166.9	0	0	0	122.3
391	S	24.1	Very low	32.3	Very low	115 Å²	115	150.6 Å²	150.6	80%	0.804	79%	0.788	S	S	*	*				-172.5	160.5	119.7	43.6	0	0	0	0	113.4
392	H	30.9	Very low	33	Very low	179 Å²	179	148.1 Å²	148.1	83%	0.829	79%	0.788	S	S	*	*			trans	-109.3	-173.7	-178.3	-56.5	-78.2	0	0	0	110.6
393	P	39.2	Very low	33.9	Very low	116 Å²	116	152.7 Å²	152.7	75%	0.753	79%	0.79	S	S	*	*			cis	-139.2	-175.5	0.1	42.7	-22.8	0	0	0	117.5
394	R	35.8	Very low	35.9	Very low	238 Å²	238	155.3 Å²	155.3	90%	0.898	79%	0.792	S	S	*	*			trans	2.6	134.5	161.9	-66.3	178.6	171.8	175.5	-3.3	120.8
395	T	26.4	Very low	38.3	Very low	142 Å²	142	149 Å²	149	87%	0.871	75%	0.754	S	S	*	*			trans	-161.5	160.5	133.5	8.1	0	0	0	0	112.5
396	N	36.3	Very low	40.6	Very low	145 Å²	145	147.4 Å²	147.4	78%	0.775	75%	0.746	S	S	*	*			trans	-76.2	140.9	-177.9	-177.1	15.1	0	0	0	112.7
397	K	29.7	Very low	42.9	Very low	181 Å²	181	142.5 Å²	142.5	79%	0.787	71%	0.714	S	S	*	*			trans	-150.8	91.1	171.4	-72.1	-164.8	178	-178	0	114.3
398	Y	35.3	Very low	45.6	Very low	212 Å²	212	142.4 Å²	142.4	83%	0.831	71%	0.712	S	S	*	*			trans	-76.9	135.3	134.2	-92.8	-101.1	0	0	0	107.6
399	S	26.7	Very low	47.7	Very low	87 Å²	87	136.6 Å²	136.6	61%	0.608	71%	0.709	S	S	*	*			trans	-153.3	81.6	-175.3	179.9	0	0	0	0	112.1	H401	S399-H401 PolarHBondContact O-N 2.9Å
400	F	41	Very low	50.2	Low	193 Å²	193	132.1 Å²	132.1	85%	0.846	68%	0.68	S	S	*	*			trans	-72.1	60.2	177.3	-94.8	-86.3	0	0	0	112.9
401	H	40.6	Very low	52.8	Low	154 Å²	154	130.5 Å²	130.5	71%	0.713	67%	0.673	S	S	*	*			trans	-141.4	101	-178.4	-89.2	31.4	0	0	0	111.8	S399	S399-H401 PolarHBondContact O-N 2.9Å
402	N	44	Very low	55.5	Low	147 Å²	147	125.7 Å²	125.7	79%	0.786	64%	0.641	S	S	*	*			trans	179.7	58.6	141.7	-97.9	-8.1	0	0	0	114.1
403	R	60.5	Low	57.8	Low	214 Å²	214	120.4 Å²	120.4	81%	0.808	62%	0.624	S	S	*	*			trans	-130.5	83.1	152	-71.3	-165.7	-178.3	-156.8	1.6	108.6	H424	R403-H424 HydrophobicContact CB-CB 4.31Å; R403-H424 VanDerWaalsContact O-CB 3.31Å; R403-H424 WeakPolarHBondContact O-CB 3.36Å
404	K	69.1	Low	59.7	Low	168 Å²	168	116.1 Å²	116.1	73%	0.73	60%	0.602	S	S	*	*			trans	-76.6	151.1	174.3	-67.9	-169	175.9	-170.2	0	110
405	C	79.9	Confident	62.2	Low	11 Å²	11	106.8 Å²	106.8	7%	0.074	57%	0.568	C	S	.	*			trans	-59.3	133.9	171.5	-177.1	0	0	0	0	110.9	T407 C410 H423 C429	C405-T407 PolarHBondContact O-N 3.28Å; C405-T407 PolarHBondContact SG-N 3.47Å; C405-C410 HydrophobicContact CB-CB 4.26Å; C405-H423 WeakPolarHBondContact CB-NE2 3.49Å; C405-H423 VanDerWaalsContact SG-CD2 3.59Å; C405-H423 PolarHBondContact SG-NE2 3.06Å; C405-C429 VanDerWaalsContact SG-CB 3.53Å
406	P	80.4	Confident	64.9	Low	86 Å²	86	101 Å²	101	56%	0.558	53%	0.532	S	S	*	.	S	Bend	trans	-78.8	3.7	177.7	26.7	-28.9	0	0	0	114.5	I426	P406-I426 HydrophobicContact CB-CD1 4.26Å; P406-I426 HydrophobicContact CG-CD1 3.87Å; P406-I426 HydrophobicContact CG-CG1 3.95Å
407	T	83.5	Confident	66.7	Low	18 Å²	18	97.5 Å²	97.5	11%	0.11	52%	0.516	C	S	.	.	S	Bend	trans	-77.8	122.6	172	-60.9	0	0	0	0	110.4	C405 G409 C410 I426 A432	C405-T407 PolarHBondContact O-N 3.28Å; C405-T407 PolarHBondContact SG-N 3.47Å; T407-G409 PolarHBondContact O-N 2.85Å; T407-C410 HydrophobicContact CG2-CB 3.92Å; T407-C410 VanDerWaalsContact O-CB 3.3Å; T407-C410 WeakPolarHBondContact O-CB 3.26Å; T407-C410 PolarHBondContact O-N 3.36Å; T407-I426 VanDerWaalsContact OG1-CG1 3.26Å; T407-I426 WeakPolarHBondContact OG1-CG1 3.49Å; T407-A432 HydrophobicContact CG2-CB 4.36Å
408	P	80.8	Confident	68.7	Low	127 Å²	127	92.2 Å²	92.2	83%	0.825	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	129.7	177.9	-26.1	35.3	0	0	0	112.1	C410	P408-C410 PolarHBondContact O-N 3.32Å
409	G	75.6	Confident	70.3	Confident	79 Å²	79	92.6 Å²	92.6	81%	0.814	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-4.1	-177.4	0	0	0	0	0	115.8	T407 D411	T407-G409 PolarHBondContact O-N 2.85Å; G409-D411 PolarHBondContact O-N 2.76Å
410	C	85.2	Confident	72.4	Confident	12 Å²	12	94.5 Å²	94.5	8%	0.081	51%	0.511	C	S	.	.			trans	-84	112.3	173.7	-150.7	0	0	0	0	109	C405 T407 P408 G412 H423 C429 L431	C405-C410 HydrophobicContact CB-CB 4.26Å; T407-C410 HydrophobicContact CG2-CB 3.92Å; T407-C410 VanDerWaalsContact O-CB 3.3Å; T407-C410 WeakPolarHBondContact O-CB 3.26Å; T407-C410 PolarHBondContact O-N 3.36Å; P408-C410 PolarHBondContact O-N 3.32Å; C410-G412 VanDerWaalsContact C-N 3.29Å; C410-G412 PolarHBondContact O-N 2.87Å; C410-H423 PolarHBondContact SG-CE1 3.41Å; C410-H423 PolarHBondContact SG-NE2 3.17Å; C410-C429 HydrophobicContact CB-CB 4.42Å; C410-C429 WeakPolarHBondContact CB-SG 3.47Å; C410-C429 WeakPolarHBondContact SG-CB 3.3Å; C410-C429 CovalentContact SG-SG 2.07Å; C410-C429 PolarHBondContact SG-SG 3.28Å; C410-L431 HydrophobicContact CB-CD1 4.31Å
411	D	83.4	Confident	74.2	Confident	117 Å²	117	91.8 Å²	91.8	63%	0.626	51%	0.51	S	S	*	.			trans	-71.2	-23.1	-177.7	66.4	-23.2	0	0	0	113.4	G409 S413	G409-D411 PolarHBondContact O-N 2.76Å; D411-S413 VanDerWaalsContact CG-OG 3.31Å; D411-S413 WeakPolarHBondContact OD1-CB 3.49Å; D411-S413 PolarHBondContact OD1-N 3.06Å; D411-S413 PolarHBondContact OD1-OG 3.44Å; D411-S413 VanDerWaalsContact OD2-CB 3.3Å; D411-S413 WeakPolarHBondContact OD2-CB 3.42Å; D411-S413 PolarHBondContact OD2-OG 2.97Å
412	G	81.1	Confident	76.4	Confident	13 Å²	13	87.3 Å²	87.3	13%	0.134	50%	0.5	C	S	.	.	S	Bend	trans	111.7	-2.6	-174.4	0	0	0	0	0	113.5	C410 A422 H423	C410-G412 VanDerWaalsContact C-N 3.29Å; C410-G412 PolarHBondContact O-N 2.87Å; G412-A422 CarbonylContact O-C 3.53Å; G412-A422 WeakPolarHBondContact O-CA 3.37Å; G412-A422 WeakPolarHBondContact O-CB 3.37Å; G412-H423 WeakPolarHBondContact CA-O 3.26Å; G412-H423 PolarHBondContact O-N 3.17Å; G412-H423 PolarHBondContact O-ND1 3.02Å
413	S	79.7	Confident	78.3	Confident	68 Å²	68	81 Å²	81	48%	0.476	47%	0.466	S	S	.	.	B	Isolated β-bridge	trans	-81	149.4	-177.8	-59.3	0	0	0	0	112.7	D411 H423	D411-S413 VanDerWaalsContact CG-OG 3.31Å; D411-S413 WeakPolarHBondContact OD1-CB 3.49Å; D411-S413 PolarHBondContact OD1-N 3.06Å; D411-S413 PolarHBondContact OD1-OG 3.44Å; D411-S413 VanDerWaalsContact OD2-CB 3.3Å; D411-S413 WeakPolarHBondContact OD2-CB 3.42Å; D411-S413 PolarHBondContact OD2-OG 2.97Å; S413-H423 PolarHBondContact O-CE1 3.13Å; S413-H423 PolarHBondContact O-ND1 2.94Å
414	G	77.7	Confident	79.5	Confident	27 Å²	27	76.3 Å²	76.3	28%	0.278	45%	0.453	S	S	.	.	S	Bend	trans	64.6	-173.7	-177.4	0	0	0	0	0	114.1	F420 T421 A422 H423	G414-F420 CarbonylContact C-O 3.48Å; G414-T421 WeakPolarHBondContact CA-O 3.41Å; G414-T421 PolarHBondContact N-O 2.77Å; G414-A422 CarbonylContact O-C 3.56Å; G414-A422 VanDerWaalsContact O-C 3.26Å; G414-A422 WeakPolarHBondContact O-CA 3.15Å; G414-H423 PolarHBondContact O-N 3.19Å; G414-H423 PolarHBondContact O-ND1 3.45Å
415	H	88.3	Confident	80.1	Confident	42 Å²	42	70.4 Å²	70.4	19%	0.194	43%	0.432	C	S	.	.			trans	-153	147.2	174.4	-170.8	-90.4	0	0	0	109.9	T417 G418 F420 G428	H415-T417 PolarHBondContact ND1-N 3.17Å; H415-T417 PolarHBondContact ND1-OG1 3.24Å; H415-T417 PolarHBondContact O-N 2.95Å; H415-G418 PolarHBondContact O-N 3.34Å; H415-F420 HydrophobicContact CB-CB 3.79Å; H415-F420 HydrophobicContact CB-CD2 4.27Å; H415-F420 WeakPolarHBondContact CB-O 3.45Å; H415-F420 AromaticContact CE1-CD2 3.96Å; H415-F420 AromaticContact CG-CD2 3.81Å; H415-F420 PolarHBondContact N-O 2.95Å; H415-F420 AromaticContact ND1-CD2 3.72Å; H415-G428 CarbonylContact C-O 3.54Å; H415-G428 WeakPolarHBondContact CA-O 3.35Å; H415-G428 VanDerWaalsContact CD2-CA 3.46Å; H415-G428 WeakPolarHBondContact CD2-CA 3.43Å; H415-G428 VanDerWaalsContact NE2-CA 3.3Å; H415-G428 WeakPolarHBondContact NE2-CA 3.34Å
416	V	83.6	Confident	80.2	Confident	19 Å²	19	73.3 Å²	73.3	12%	0.115	45%	0.446	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-21.7	-176.7	64.4	0	0	0	0	114.4	S427 G428 N435	V416-S427 WeakPolarHBondContact CG1-O 3.3Å; V416-G428 PolarHBondContact N-O 3.13Å; V416-N435 HydrophobicContact CB-CB 4.39Å; V416-N435 HydrophobicContact CG2-CB 3.72Å
417	T	73.6	Confident	80.3	Confident	73 Å²	73	72.5 Å²	72.5	45%	0.448	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.7	-0.7	178.1	60.5	0	0	0	0	114.2	H415 R419	H415-T417 PolarHBondContact ND1-N 3.17Å; H415-T417 PolarHBondContact ND1-OG1 3.24Å; H415-T417 PolarHBondContact O-N 2.95Å; T417-R419 PolarHBondContact O-N 2.75Å
418	G	73.1	Confident	80.2	Confident	70 Å²	70	71.6 Å²	71.6	72%	0.722	44%	0.437	S	S	*	.	S	Bend	trans	68.9	-17.7	-173.6	0	0	0	0	0	115.9	H415 F420	H415-G418 PolarHBondContact O-N 3.34Å; G418-F420 PolarHBondContact O-N 2.85Å
419	R	67.9	Low	80.5	Confident	219 Å²	219	65.6 Å²	65.6	83%	0.826	40%	0.398	S	S	*	.	S	Bend	trans	-81.5	-4.9	-172.1	-63.4	-176.4	-173.1	-168	-0.7	115.8	T417	T417-R419 PolarHBondContact O-N 2.75Å
420	F	71.5	Confident	80.9	Confident	127 Å²	127	63.1 Å²	63.1	56%	0.557	37%	0.368	S	S	*	.			trans	-133.7	140.8	179.6	-52	-76.2	0	0	0	110.7	G414 H415 G418 A422	G414-F420 CarbonylContact C-O 3.48Å; H415-F420 HydrophobicContact CB-CB 3.79Å; H415-F420 HydrophobicContact CB-CD2 4.27Å; H415-F420 WeakPolarHBondContact CB-O 3.45Å; H415-F420 AromaticContact CE1-CD2 3.96Å; H415-F420 AromaticContact CG-CD2 3.81Å; H415-F420 PolarHBondContact N-O 2.95Å; H415-F420 AromaticContact ND1-CD2 3.72Å; G418-F420 PolarHBondContact O-N 2.85Å; F420-A422 VanDerWaalsContact C-N 3.33Å
421	T	79.4	Confident	80.5	Confident	137 Å²	137	67.2 Å²	67.2	84%	0.84	39%	0.388	S	S	*	.	S	Bend	trans	-79.1	-13.8	-175.8	49.1	0	0	0	0	114	G414	G414-T421 WeakPolarHBondContact CA-O 3.41Å; G414-T421 PolarHBondContact N-O 2.77Å
422	A	85.1	Confident	80.6	Confident	60 Å²	60	61.9 Å²	61.9	50%	0.496	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	-152.5	164.6	177.9	0	0	0	0	0	112.1	G412 G414 F420	G412-A422 CarbonylContact O-C 3.53Å; G412-A422 WeakPolarHBondContact O-CA 3.37Å; G412-A422 WeakPolarHBondContact O-CB 3.37Å; G414-A422 CarbonylContact O-C 3.56Å; G414-A422 VanDerWaalsContact O-C 3.26Å; G414-A422 WeakPolarHBondContact O-CA 3.15Å; F420-A422 VanDerWaalsContact C-N 3.33Å
423	H	85.3	Confident	80.4	Confident	15 Å²	15	69.3 Å²	69.3	7%	0.069	39%	0.392	C	S	.	.			trans	-147.9	160.2	176.1	69.1	-81.6	0	0	0	110.9	C405 C410 G412 S413 G414 C429	C405-H423 WeakPolarHBondContact CB-NE2 3.49Å; C405-H423 VanDerWaalsContact SG-CD2 3.59Å; C405-H423 PolarHBondContact SG-NE2 3.06Å; C410-H423 PolarHBondContact SG-CE1 3.41Å; C410-H423 PolarHBondContact SG-NE2 3.17Å; G412-H423 WeakPolarHBondContact CA-O 3.26Å; G412-H423 PolarHBondContact O-N 3.17Å; G412-H423 PolarHBondContact O-ND1 3.02Å; S413-H423 PolarHBondContact O-CE1 3.13Å; S413-H423 PolarHBondContact O-ND1 2.94Å; G414-H423 PolarHBondContact O-N 3.19Å; G414-H423 PolarHBondContact O-ND1 3.45Å; H423-C429 VanDerWaalsContact CD2-CA 3.45Å; H423-C429 WeakPolarHBondContact CD2-CA 3.48Å; H423-C429 PolarHBondContact CD2-N 3.2Å; H423-C429 WeakPolarHBondContact NE2-CA 3.5Å; H423-C429 WeakPolarHBondContact NE2-CB 3.43Å
424	H	86.1	Confident	80.2	Confident	115 Å²	115	75 Å²	75	53%	0.532	40%	0.402	S	S	.	.	S	Bend	trans	-131.6	12.3	179	60.2	-96.1	0	0	0	113.5	R403	R403-H424 HydrophobicContact CB-CB 4.31Å; R403-H424 VanDerWaalsContact O-CB 3.31Å; R403-H424 WeakPolarHBondContact O-CB 3.36Å
425	C	81.1	Confident	79.9	Confident	43 Å²	43	74.2 Å²	74.2	29%	0.291	39%	0.392	S	S	.	.	S	Bend	trans	-144.4	153.8	-172.8	57.1	0	0	0	0	112	S427 G428 C429	C425-S427 PolarHBondContact O-N 2.82Å; C425-S427 PolarHBondContact SG-OG 2.6Å; C425-S427 VanDerWaalsContact SG-OG 3.35Å; C425-G428 PolarHBondContact O-N 3.13Å; C425-C429 PolarHBondContact O-N 3.47Å; C425-C429 VanDerWaalsContact O-N 3.16Å
426	I	82.4	Confident	78.9	Confident	73 Å²	73	76.4 Å²	76.4	37%	0.374	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.2	-178.1	-95.6	162	0	0	0	113.1	P406 T407 G428 N435	P406-I426 HydrophobicContact CB-CD1 4.26Å; P406-I426 HydrophobicContact CG-CD1 3.87Å; P406-I426 HydrophobicContact CG-CG1 3.95Å; T407-I426 VanDerWaalsContact OG1-CG1 3.26Å; T407-I426 WeakPolarHBondContact OG1-CG1 3.49Å; I426-G428 VanDerWaalsContact C-N 3.27Å; I426-G428 PolarHBondContact O-N 2.97Å; I426-N435 PolarHBondContact O-ND2 3.42Å
427	S	82.6	Confident	77.8	Confident	68 Å²	68	78.3 Å²	78.3	48%	0.476	43%	0.426	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-30.6	173.3	38.1	0	0	0	0	112.7	V416 C425 N435	V416-S427 WeakPolarHBondContact CG1-O 3.3Å; C425-S427 PolarHBondContact O-N 2.82Å; C425-S427 PolarHBondContact SG-OG 2.6Å; C425-S427 VanDerWaalsContact SG-OG 3.35Å; S427-N435 PolarHBondContact O-ND2 3.34Å
428	G	80.5	Confident	77	Confident	0 Å²	0	83.3 Å²	83.3	0%	0	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-25.8	-179.2	0	0	0	0	0	115.5	H415 V416 C425 I426 P430	H415-G428 CarbonylContact C-O 3.54Å; H415-G428 WeakPolarHBondContact CA-O 3.35Å; H415-G428 VanDerWaalsContact CD2-CA 3.46Å; H415-G428 WeakPolarHBondContact CD2-CA 3.43Å; H415-G428 VanDerWaalsContact NE2-CA 3.3Å; H415-G428 WeakPolarHBondContact NE2-CA 3.34Å; V416-G428 PolarHBondContact N-O 3.13Å; C425-G428 PolarHBondContact O-N 3.13Å; I426-G428 VanDerWaalsContact C-N 3.27Å; I426-G428 PolarHBondContact O-N 2.97Å; G428-P430 WeakPolarHBondContact O-CD 3.22Å
429	C	87.6	Confident	76.1	Confident	0 Å²	0	83.2 Å²	83.2	0%	0	42%	0.419	C	S	.	.			trans	-62.6	126.1	-175.4	175.3	0	0	0	0	112.3	C405 C410 H423 C425 L431 A432 N435	C405-C429 VanDerWaalsContact SG-CB 3.53Å; C410-C429 HydrophobicContact CB-CB 4.42Å; C410-C429 WeakPolarHBondContact CB-SG 3.47Å; C410-C429 WeakPolarHBondContact SG-CB 3.3Å; C410-C429 CovalentContact SG-SG 2.07Å; C410-C429 PolarHBondContact SG-SG 3.28Å; H423-C429 VanDerWaalsContact CD2-CA 3.45Å; H423-C429 WeakPolarHBondContact CD2-CA 3.48Å; H423-C429 PolarHBondContact CD2-N 3.2Å; H423-C429 WeakPolarHBondContact NE2-CA 3.5Å; H423-C429 WeakPolarHBondContact NE2-CB 3.43Å; C425-C429 PolarHBondContact O-N 3.47Å; C425-C429 VanDerWaalsContact O-N 3.16Å; C429-L431 VanDerWaalsContact C-N 3.25Å; C429-L431 PolarHBondContact O-N 3.3Å; C429-L431 PolarHBondContact SG-N 3.43Å; C429-A432 HydrophobicContact CB-CB 4.05Å; C429-A432 PolarHBondContact O-N 3.27Å; C429-A432 PolarHBondContact SG-N 3.46Å; C429-N435 PolarHBondContact O-ND2 3.23Å
430	P	82.9	Confident	75.2	Confident	28 Å²	28	80.5 Å²	80.5	18%	0.182	41%	0.413	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-33.7	172.6	-23.3	33.4	0	0	0	113.2	G428 L439	G428-P430 WeakPolarHBondContact O-CD 3.22Å; P430-L439 HydrophobicContact CB-CD1 4.06Å; P430-L439 WeakPolarHBondContact O-CD1 3.22Å
431	L	77.8	Confident	74.1	Confident	97 Å²	97	77.2 Å²	77.2	51%	0.508	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-10.5	-175.2	-52	178.2	0	0	0	113.8	C410 C429 E433 Q436	C410-L431 HydrophobicContact CB-CD1 4.31Å; C429-L431 VanDerWaalsContact C-N 3.25Å; C429-L431 PolarHBondContact O-N 3.3Å; C429-L431 PolarHBondContact SG-N 3.43Å; L431-E433 PolarHBondContact O-N 2.9Å; L431-Q436 PolarHBondContact O-NE2 3Å
432	A	85	Confident	72.5	Confident	6 Å²	6	76.8 Å²	76.8	5%	0.05	40%	0.402	C	S	.	.			trans	-65.4	129.7	-178.6	0	0	0	0	0	110.8	T407 C429 R434 N435 Q436	T407-A432 HydrophobicContact CG2-CB 4.36Å; C429-A432 HydrophobicContact CB-CB 4.05Å; C429-A432 PolarHBondContact O-N 3.27Å; C429-A432 PolarHBondContact SG-N 3.46Å; A432-R434 VanDerWaalsContact C-N 3.32Å; A432-R434 PolarHBondContact O-N 3.33Å; A432-N435 HydrophobicContact CB-CB 4.32Å; A432-N435 WeakPolarHBondContact O-CA 3.47Å; A432-N435 VanDerWaalsContact O-CB 3.28Å; A432-N435 WeakPolarHBondContact O-CB 3.43Å; A432-N435 PolarHBondContact O-N 3.16Å; A432-Q436 PolarHBondContact O-N 3.38Å; A432-Q436 VanDerWaalsContact O-N 3.1Å
433	E	77.7	Confident	70.2	Confident	169 Å²	169	80.2 Å²	80.2	79%	0.79	41%	0.411	S	S	*	.	H	α-helix	trans	-50.9	-46	-173.4	-174	174.5	-152.1	0	0	113.6	L431 N435 Q436	L431-E433 PolarHBondContact O-N 2.9Å; E433-N435 PolarHBondContact O-N 2.99Å; E433-N435 VanDerWaalsContact O-N 3.11Å; E433-Q436 PolarHBondContact O-N 3.09Å
434	R	74.7	Confident	67.9	Low	186 Å²	186	83.6 Å²	83.6	70%	0.702	44%	0.437	S	S	*	.	H	α-helix	trans	-58.4	-23.8	175.2	-167.1	-178.4	69.2	179.8	0.5	114	A432	A432-R434 VanDerWaalsContact C-N 3.32Å; A432-R434 PolarHBondContact O-N 3.33Å
435	N	72.6	Confident	65.7	Low	11 Å²	11	85.8 Å²	85.8	6%	0.059	45%	0.452	C	S	.	.	H	α-helix	trans	-95.9	-25.6	-178.7	-76.3	0.7	0	0	0	113	V416 I426 S427 C429 A432 E433 G437 R438	V416-N435 HydrophobicContact CB-CB 4.39Å; V416-N435 HydrophobicContact CG2-CB 3.72Å; I426-N435 PolarHBondContact O-ND2 3.42Å; S427-N435 PolarHBondContact O-ND2 3.34Å; C429-N435 PolarHBondContact O-ND2 3.23Å; A432-N435 HydrophobicContact CB-CB 4.32Å; A432-N435 WeakPolarHBondContact O-CA 3.47Å; A432-N435 VanDerWaalsContact O-CB 3.28Å; A432-N435 WeakPolarHBondContact O-CB 3.43Å; A432-N435 PolarHBondContact O-N 3.16Å; E433-N435 PolarHBondContact O-N 2.99Å; E433-N435 VanDerWaalsContact O-N 3.11Å; N435-G437 PolarHBondContact O-N 3.44Å; N435-G437 VanDerWaalsContact O-N 3.11Å; N435-R438 PolarHBondContact O-N 3.23Å
436	Q	65.4	Low	63.9	Low	89 Å²	89	88 Å²	88	42%	0.416	47%	0.468	S	S	.	.	H	α-helix	trans	-59.1	-26.5	-178.1	-66.9	-179.8	19.6	0	0	113.1	L431 A432 E433 R438 L439 K440	L431-Q436 PolarHBondContact O-NE2 3Å; A432-Q436 PolarHBondContact O-N 3.38Å; A432-Q436 VanDerWaalsContact O-N 3.1Å; E433-Q436 PolarHBondContact O-N 3.09Å; Q436-R438 PolarHBondContact O-N 3.41Å; Q436-L439 PolarHBondContact O-N 3.24Å; Q436-K440 PolarHBondContact O-N 3.46Å
437	G	61.9	Low	61.6	Low	59 Å²	59	92.6 Å²	92.6	61%	0.608	49%	0.488	S	S	*	.	H	α-helix	trans	-63	-22.5	173.9	0	0	0	0	0	114.8	N435	N435-G437 PolarHBondContact O-N 3.44Å; N435-G437 VanDerWaalsContact O-N 3.11Å
438	R	57.3	Low	59	Low	178 Å²	178	95.9 Å²	95.9	67%	0.672	51%	0.51	S	S	*	.	H	α-helix	trans	-80.6	-47.2	174.2	-74.9	-178.6	166	173.1	-5.8	111.8	N435 Q436 K440 A441	N435-R438 PolarHBondContact O-N 3.23Å; Q436-R438 PolarHBondContact O-N 3.41Å; R438-K440 PolarHBondContact O-N 3.43Å; R438-K440 VanDerWaalsContact O-N 3.16Å; R438-A441 WeakPolarHBondContact O-CB 3.38Å; R438-A441 PolarHBondContact O-N 3.15Å
439	L	52.7	Low	57.1	Low	67 Å²	67	105.8 Å²	105.8	35%	0.351	55%	0.553	S	S	.	*	H	α-helix	trans	-63.3	-21.7	179.4	-70.2	167.5	0	0	0	113.6	P430 Q436 L443	P430-L439 HydrophobicContact CB-CD1 4.06Å; P430-L439 WeakPolarHBondContact O-CD1 3.22Å; Q436-L439 PolarHBondContact O-N 3.24Å; L439-L443 WeakPolarHBondContact O-CG 3.3Å
440	K	48.7	Very low	54.3	Low	162 Å²	162	116.8 Å²	116.8	70%	0.704	59%	0.594	S	S	*	*	H	α-helix	trans	-76.4	-14.7	173.5	-80.2	-172.3	174.5	-179.6	0	114.9	Q436 R438	Q436-K440 PolarHBondContact O-N 3.46Å; R438-K440 PolarHBondContact O-N 3.43Å; R438-K440 VanDerWaalsContact O-N 3.16Å
441	A	48.9	Very low	51.6	Low	58 Å²	58	122.1 Å²	122.1	48%	0.479	62%	0.621	S	S	.	*	H	α-helix	trans	-78.5	-45	175	0	0	0	0	0	111.4	R438 L443 S444	R438-A441 WeakPolarHBondContact O-CB 3.38Å; R438-A441 PolarHBondContact O-N 3.15Å; A441-L443 PolarHBondContact O-N 3.06Å; A441-S444 PolarHBondContact O-N 3.04Å; A441-S444 PolarHBondContact O-OG 3.47Å
442	D	46.2	Very low	49.2	Very low	128 Å²	128	123.9 Å²	123.9	68%	0.684	63%	0.631	S	S	*	*	H	α-helix	trans	-75.3	-11.4	-175.2	-55.9	-39.1	0	0	0	113.5
443	L	37.6	Very low	46.4	Very low	132 Å²	132	132.3 Å²	132.3	69%	0.691	67%	0.666	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	-3.4	178.5	-67.9	176.6	0	0	0	114.3	L439 A441	L439-L443 WeakPolarHBondContact O-CG 3.3Å; A441-L443 PolarHBondContact O-N 3.06Å
444	S	36.3	Very low	44	Very low	87 Å²	87	132.1 Å²	132.1	61%	0.608	67%	0.669	S	S	*	*	S	Bend	trans	-88.9	-17.1	174.5	49.8	0	0	0	0	114.4	A441	A441-S444 PolarHBondContact O-N 3.04Å; A441-S444 PolarHBondContact O-OG 3.47Å
445	D	38.9	Very low	41.7	Very low	160 Å²	160	126.9 Å²	126.9	86%	0.856	67%	0.673	S	S	*	*	S	Bend	trans	-94.1	4.1	-170.6	-138.9	30.5	0	0	0	113.9
446	S	43.5	Very low	39.5	Very low	89 Å²	89	135.5 Å²	135.5	62%	0.622	71%	0.713	S	S	*	*	S	Bend	trans	-104.9	-13.4	-177	40	0	0	0	0	115.3
447	E	33.9	Very low	37.8	Very low	171 Å²	171	143.1 Å²	143.1	80%	0.799	74%	0.738	S	S	*	*	S	Bend	trans	-138.3	85.7	179	-70.2	-157.2	134.2	0	0	114.9
448	C	29.7	Very low	36.2	Very low	137 Å²	137	146.8 Å²	146.8	93%	0.926	75%	0.748	S	S	*	*			trans	-172.4	99.9	133.5	-102.8	0	0	0	0	114.7
449	K	39.1	Very low	34.9	Very low	207 Å²	207	148.2 Å²	148.2	90%	0.9	76%	0.76	S	S	*	*			trans	-86.9	114.2	151.5	-81.9	179.3	177.8	170.9	0	109.1
450	R	29.1	Very low	33.7	Very low	231 Å²	231	153.8 Å²	153.8	87%	0.872	78%	0.781	S	S	*	*			trans	-177.1	124.2	140.7	-99.9	149.3	-165.3	168.5	6.2	113.9
451	N	27	Very low	32.6	Very low	140 Å²	140	152.8 Å²	152.8	75%	0.749	79%	0.789	S	S	*	*			trans	83.6	126.1	132.5	-78.1	14.9	0	0	0	123.6
452	L	26.4	Very low	31.7	Very low	135 Å²	135	157 Å²	157	71%	0.707	80%	0.798	S	S	*	*			trans	75.6	115.1	151.1	-79.1	96	0	0	0	121.1
453	F	26.1	Very low	30.7	Very low	182 Å²	182	160.5 Å²	160.5	80%	0.798	80%	0.803	S	S	*	*			trans	38	136.8	130.1	-62.7	-80.4	0	0	0	120.1
454	I	27.2	Very low	30.2	Very low	166 Å²	166	165.1 Å²	165.1	85%	0.851	81%	0.812	S	S	*	*			cis	-155.5	156	29.3	-109.1	138.8	0	0	0	109.2
455	G	27	Very low	29.5	Very low	76 Å²	76	164.4 Å²	164.4	78%	0.784	82%	0.817	S	S	*	*			trans	164.4	89	166.3	0	0	0	0	0	115.7
456	Q	27	Very low	28.9	Very low	191 Å²	191	167.6 Å²	167.6	89%	0.893	82%	0.818	S	S	*	*			trans	-79.7	139	175.6	-65.3	175	-20.8	0	0	112.2
457	R	29.6	Very low	28.2	Very low	250 Å²	250	170.9 Å²	170.9	94%	0.943	83%	0.826	S	S	*	*				-164.9	135.7	111.7	-106.3	166.9	-175.6	-168.9	0.5	113.1
458	T	28.3	Very low	27.9	Very low	135 Å²	135	166.5 Å²	166.5	83%	0.828	83%	0.827	S	S	*	*			trans	-100.4	153.5	-179.3	48.5	0	0	0	0	111.7
459	K	30.5	Very low	27.7	Very low	208 Å²	208	169 Å²	169	90%	0.904	82%	0.817	S	S	*	*			trans	-168.3	122.9	131.5	-105.7	165.2	-175.3	-176.2	0	111.5
460	K	27	Very low	28	Very low	184 Å²	184	164.5 Å²	164.5	80%	0.8	81%	0.809	S	S	*	*			trans	-118.4	148.3	161.3	-77.7	-172.8	174	-174.5	0	107.8
461	T	25.3	Very low	28.5	Very low	141 Å²	141	158.6 Å²	158.6	87%	0.865	80%	0.801	S	S	*	*			trans	-145.3	159.6	166.8	35.8	0	0	0	0	111
462	H	30.9	Very low	28.7	Very low	147 Å²	147	162 Å²	162	68%	0.681	81%	0.808	S	S	*	*			trans	-151.8	153.3	-154.1	-86.4	-95	0	0	0	109.6
463	Y	24.3	Very low	28.6	Very low	202 Å²	202	164.8 Å²	164.8	79%	0.792	81%	0.811	S	S	*	*			cis	-168.7	-179.8	-6.3	-168	-116.1	0	0	0	109
464	R	26.8	Very low	28.7	Very low	229 Å²	229	165.5 Å²	165.5	86%	0.864	81%	0.808	S	S	*	*			trans	76.1	148.8	177.1	-44.7	169.6	-176	-101.1	3.9	115.1
465	G	22.7	Very low	28.7	Very low	71 Å²	71	167.4 Å²	167.4	73%	0.732	81%	0.811	S	S	*	*			cis	120.2	114.2	-18.2	0	0	0	0	0	116.9
466	R	26.7	Very low	28.5	Very low	228 Å²	228	171.4 Å²	171.4	86%	0.86	81%	0.814	S	S	*	*			trans	-174.1	127.3	148.8	-103.4	-173.8	-148.1	-110.7	6.7	113.1
467	I	27.9	Very low	28.5	Very low	157 Å²	157	170.1 Å²	170.1	81%	0.805	81%	0.808	S	S	*	*			trans	49.4	118.6	136.8	-52.8	168.3	0	0	0	119.5
468	G	26.9	Very low	28.3	Very low	79 Å²	79	165.7 Å²	165.7	81%	0.814	80%	0.798	S	S	*	*			trans	165.7	115.3	158.8	0	0	0	0	0	114.1
469	R	27.3	Very low	28.2	Very low	191 Å²	191	168.8 Å²	168.8	72%	0.721	79%	0.794	S	S	*	*			trans	-155.1	158.5	175.7	-143.3	-171.6	-166.9	-153.8	8.7	108.3	T272	T272-R469 PolarHBondContact O-NH1 3.46Å
470	P	44.4	Very low	27.8	Very low	112 Å²	112	164.8 Å²	164.8	73%	0.727	78%	0.783	S	S	*	*				-103.8	-146.7	-72.7	41.3	-29.7	0	0	0	108.2
471	P	40.5	Very low	27.7	Very low	107 Å²	107	166.2 Å²	166.2	70%	0.695	79%	0.785	S	S	*	*			cis	-132.8	168.1	-14.3	37.6	-19.9	0	0	0	115.6
472	K	29.5	Very low	27.7	Very low	210 Å²	210	168.1 Å²	168.1	91%	0.913	78%	0.784	S	S	*	*				175.9	165.5	118.8	-97.7	177.5	-176.9	-175.4	0	115.1
473	Y	25.1	Very low	27.3	Very low	194 Å²	194	168.2 Å²	168.2	76%	0.761	79%	0.79	S	S	*	*			trans	-65.6	159	-175.7	-152.5	-129.3	0	0	0	115.4
474	R	28.3	Very low	27.3	Very low	197 Å²	197	166.9 Å²	166.9	74%	0.743	79%	0.793	S	S	*	*			trans	35.5	124.3	160.1	-80.4	-177	170.5	172.7	-2.8	119.6
475	K	26.1	Very low	27.3	Very low	207 Å²	207	161.2 Å²	161.2	90%	0.9	79%	0.788	S	S	*	*				-152.2	138.3	120.7	-143.9	170.5	-173.2	175.8	0	113.9
476	N	23.3	Very low	27.5	Very low	159 Å²	159	163.8 Å²	163.8	85%	0.85	80%	0.795	S	S	*	*			trans	-62	147.2	167.1	-95.8	-17.9	0	0	0	111.2
477	Q	27.8	Very low	27.5	Very low	164 Å²	164	162.1 Å²	162.1	77%	0.766	80%	0.797	S	S	*	*			trans	-116.1	94.9	154.6	-172.9	172.6	94.2	0	0	109.3
478	Q	25.1	Very low	27.8	Very low	157 Å²	157	158.3 Å²	158.3	73%	0.734	80%	0.796	S	S	*	*			trans	-57	137.8	167	179.6	176.3	-17.5	0	0	109.7	D480	Q478-D480 PolarHBondContact NE2-OD1 3.09Å
479	R	25.7	Very low	27.9	Very low	200 Å²	200	161.1 Å²	161.1	76%	0.755	80%	0.797	S	S	*	*			trans	-137.2	99.6	174.8	-162.7	-174	-64.7	-175.2	0.8	108.4
480	D	22.6	Very low	28.1	Very low	124 Å²	124	162.8 Å²	162.8	66%	0.663	81%	0.805	S	S	*	*			trans	-67.6	136.6	180	-49.8	-59.2	0	0	0	110.2	Q478	Q478-D480 PolarHBondContact NE2-OD1 3.09Å
481	Y	24	Very low	27.5	Very low	214 Å²	214	162.9 Å²	162.9	84%	0.839	81%	0.806	S	S	*	*			trans	-140.5	151.3	160.4	-111.2	-83.6	0	0	0	110.2
482	Q	25.4	Very low	27.3	Very low	181 Å²	181	162 Å²	162	85%	0.846	80%	0.802	S	S	*	*			trans	-86.2	155.7	-157.7	-66.6	167.7	-53.4	0	0	113.8	M484	Q482-M484 PolarHBondContact O-N 3.15Å
483	N	23.8	Very low	27.7	Very low	150 Å²	150	160.2 Å²	160.2	80%	0.802	80%	0.802	S	S	*	*			trans	-61.2	125.6	176.7	-174.2	20.6	0	0	0	112
484	M	23.2	Very low	28.3	Very low	174 Å²	174	160.2 Å²	160.2	86%	0.857	81%	0.806	S	S	*	*			trans	-143	133.8	168.3	-94.5	-66.8	106	0	0	110.5	Q482	Q482-M484 PolarHBondContact O-N 3.15Å
485	S	27.5	Very low	28.9	Very low	109 Å²	109	157.4 Å²	157.4	76%	0.762	80%	0.803	S	S	*	*			trans	-114.6	120.3	-177.5	56	0	0	0	0	111.3
486	S	27.1	Very low	29.4	Very low	125 Å²	125	151.2 Å²	151.2	87%	0.874	79%	0.786	S	S	*	*			trans	-153.1	166.4	162.1	58.8	0	0	0	0	110.6
487	E	25.6	Very low	29.9	Very low	194 Å²	194	147.8 Å²	147.8	91%	0.907	78%	0.779	S	S	*	*			trans	-94.1	157.9	-159.9	-58.9	165.9	113.3	0	0	114.3
488	G	34.4	Very low	30.6	Very low	76 Å²	76	147 Å²	147	78%	0.784	78%	0.78	S	S	*	*			trans	83.5	76.1	142.3	0	0	0	0	0	119
489	V	29.6	Very low	31.2	Very low	138 Å²	138	144.9 Å²	144.9	84%	0.836	78%	0.777	S	S	*	*			trans	-134.6	130.8	155.5	-175.6	0	0	0	0	109.6
490	Y	31	Very low	31.7	Very low	227 Å²	227	139.3 Å²	139.3	89%	0.89	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-76.7	128.1	177.2	-86	-96.2	0	0	0	111.8
491	P	32.8	Very low	32.3	Very low	114 Å²	114	139.8 Å²	139.8	74%	0.74	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-69.4	154.3	167.7	-19.6	33.8	0	0	0	112.9
492	S	35.9	Very low	33.3	Very low	89 Å²	89	133.8 Å²	133.8	62%	0.622	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-63	137.4	179	178.3	0	0	0	0	113	F494	S492-F494 PolarHBondContact O-N 2.99Å
493	L	36.8	Very low	34.1	Very low	172 Å²	172	132.2 Å²	132.2	90%	0.901	77%	0.767	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	1.3	178.1	-69.8	172.4	0	0	0	114.9
494	F	38.9	Very low	34.9	Very low	194 Å²	194	135.4 Å²	135.4	85%	0.851	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.4	8.8	-170.7	-136.7	-93.6	0	0	0	115.6	S492	S492-F494 PolarHBondContact O-N 2.99Å
495	M	40.2	Very low	35.5	Very low	138 Å²	138	131.7 Å²	131.7	68%	0.68	76%	0.755	S	S	*	*	S	Bend	trans	-124.1	5.8	-176	-67.3	-144.1	73.3	0	0	116.5	A497	M495-A497 VanDerWaalsContact C-N 3.27Å; M495-A497 PolarHBondContact O-N 3.41Å
496	S	36	Very low	35.9	Very low	77 Å²	77	131.4 Å²	131.4	54%	0.538	75%	0.745	S	S	.	*	G	3₁₀ helix	trans	-78.8	-1.1	-179.2	-50.6	0	0	0	0	115.2	L498	S496-L498 PolarHBondContact O-N 3.27Å
497	A	35.5	Very low	36.7	Very low	87 Å²	87	129.3 Å²	129.3	72%	0.719	73%	0.73	S	S	*	*	G	3₁₀ helix	trans	-87	3.4	-172.5	0	0	0	0	0	115.1	M495	M495-A497 VanDerWaalsContact C-N 3.27Å; M495-A497 PolarHBondContact O-N 3.41Å
498	L	41	Very low	37.3	Very low	148 Å²	148	125.9 Å²	125.9	78%	0.775	72%	0.717	S	S	*	*	G	3₁₀ helix	trans	-128.2	15	-166.6	-65.7	174.4	0	0	0	115.2	S496	S496-L498 PolarHBondContact O-N 3.27Å
499	T	37.6	Very low	37.8	Very low	111 Å²	111	124.5 Å²	124.5	68%	0.681	70%	0.695	S	S	*	*			trans	-120.2	105.4	-178.1	54.5	0	0	0	0	112.9	Q501	T499-Q501 PolarHBondContact O-N 3.03Å; T499-Q501 VanDerWaalsContact O-N 3.12Å
500	G	37.8	Very low	38.6	Very low	84 Å²	84	123.3 Å²	123.3	87%	0.866	68%	0.676	S	S	*	*			trans	-76.1	88.9	174	0	0	0	0	0	112.9
501	Q	34.5	Very low	39.3	Very low	133 Å²	133	117.5 Å²	117.5	62%	0.621	66%	0.657	S	S	*	*			trans	-131.1	98.5	167.9	-78.3	-88	-77.2	0	0	109.3	T499	T499-Q501 PolarHBondContact O-N 3.03Å; T499-Q501 VanDerWaalsContact O-N 3.12Å
502	S	45.9	Very low	40	Very low	88 Å²	88	118.3 Å²	118.3	62%	0.615	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.4	145.1	143.6	40.5	0	0	0	0	107.6
503	D	40.7	Very low	40.7	Very low	148 Å²	148	118.6 Å²	118.6	79%	0.791	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	cis	-141.6	10	37.1	-155.4	31.6	0	0	0	114.3
504	R	40.2	Very low	41.3	Very low	217 Å²	217	111 Å²	111	82%	0.819	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.5	-29.7	-179.1	-69	-169.5	175.5	-173.8	-2.9	116	S507	R504-S507 PolarHBondContact O-N 3.12Å
505	T	35.8	Very low	41.7	Very low	96 Å²	96	108.1 Å²	108.1	59%	0.589	59%	0.59	S	S	*	*	H	α-helix	trans	-71	-29.7	179.5	18.3	0	0	0	0	113.2	S507 L508 C509	T505-S507 VanDerWaalsContact C-N 3.32Å; T505-S507 PolarHBondContact O-N 3.35Å; T505-L508 PolarHBondContact O-N 3.28Å; T505-C509 PolarHBondContact O-N 3.27Å
506	L	37.5	Very low	42.1	Very low	103 Å²	103	106.8 Å²	106.8	54%	0.539	59%	0.585	S	S	.	*	H	α-helix	trans	-55.7	-45.6	173.3	-89.6	166.6	0	0	0	111.7	L508 C509 W510	L506-L508 VanDerWaalsContact C-N 3.34Å; L506-L508 PolarHBondContact O-N 3.38Å; L506-C509 PolarHBondContact O-N 3.45Å; L506-W510 WeakPolarHBondContact O-CB 3.48Å; L506-W510 PolarHBondContact O-N 3.38Å
507	S	43	Very low	43.4	Very low	81 Å²	81	104.4 Å²	104.4	57%	0.566	57%	0.566	S	S	*	*	H	α-helix	trans	-49.2	-51.1	-178.3	-179.6	0	0	0	0	113	R504 T505 E511	R504-S507 PolarHBondContact O-N 3.12Å; T505-S507 VanDerWaalsContact C-N 3.32Å; T505-S507 PolarHBondContact O-N 3.35Å; S507-E511 VanDerWaalsContact O-CB 3.24Å; S507-E511 WeakPolarHBondContact O-CB 3.29Å; S507-E511 PolarHBondContact O-N 3.14Å
508	L	39.1	Very low	44.2	Very low	122 Å²	122	104.3 Å²	104.3	64%	0.639	56%	0.558	S	S	*	*	H	α-helix	trans	-72.9	-37.7	-177.5	-73.1	161.4	0	0	0	113.4	T505 L506 Q512	T505-L508 PolarHBondContact O-N 3.28Å; L506-L508 VanDerWaalsContact C-N 3.34Å; L506-L508 PolarHBondContact O-N 3.38Å; L508-Q512 WeakPolarHBondContact O-CG 3.13Å; L508-Q512 PolarHBondContact O-N 3.27Å
509	C	44.8	Very low	45.1	Very low	47 Å²	47	99.7 Å²	99.7	32%	0.318	55%	0.547	S	S	.	.	H	α-helix	trans	-74.3	-39	179.4	-168.7	0	0	0	0	111.8	T505 L506 Q512 H513	T505-C509 PolarHBondContact O-N 3.27Å; L506-C509 PolarHBondContact O-N 3.45Å; C509-Q512 PolarHBondContact O-N 2.77Å; C509-H513 PolarHBondContact O-N 3.44Å
510	W	44.9	Very low	46.3	Very low	113 Å²	113	94.6 Å²	94.6	43%	0.428	52%	0.516	S	S	.	.	H	α-helix	trans	-63.2	-47.5	174.2	-170.4	-117.5	0	0	0	111.2	L506 Q512 H513 C514 M591	L506-W510 WeakPolarHBondContact O-CB 3.48Å; L506-W510 PolarHBondContact O-N 3.38Å; W510-Q512 PolarHBondContact O-N 2.75Å; W510-H513 PolarHBondContact O-N 3.07Å; W510-C514 PolarHBondContact O-N 3.44Å; W510-C514 PolarHBondContact O-SG 3Å; W510-M591 HydrophobicContact CD2-SD 4.41Å; W510-M591 HydrophobicContact CH2-CG 4.36Å; W510-M591 HydrophobicContact CH2-SD 3.63Å; W510-M591 HydrophobicContact CZ2-CE 4.43Å; W510-M591 HydrophobicContact CZ2-CG 4.37Å; W510-M591 HydrophobicContact CZ2-SD 3.2Å; W510-M591 WeakPolarHBondContact CZ2-SD 3.17Å; W510-M591 HydrophobicContact CZ3-SD 4.37Å
511	E	46.4	Very low	47.5	Very low	105 Å²	105	97.2 Å²	97.2	49%	0.491	51%	0.505	S	S	.	.	H	α-helix	trans	-63.6	-25.4	176.7	-163.4	-163.6	-115.4	0	0	112.9	S507 K515	S507-E511 VanDerWaalsContact O-CB 3.24Å; S507-E511 WeakPolarHBondContact O-CB 3.29Å; S507-E511 PolarHBondContact O-N 3.14Å; E511-K515 VanDerWaalsContact O-CD 3.27Å; E511-K515 WeakPolarHBondContact O-CD 3.26Å; E511-K515 WeakPolarHBondContact O-CE 3.2Å; E511-K515 WeakPolarHBondContact O-CG 3.4Å; E511-K515 PolarHBondContact O-NZ 2.69Å; E511-K515 IonicContact OE2-NZ 2.97Å; E511-K515 PolarHBondContact OE2-NZ 3.35Å; E511-K515 VanDerWaalsContact OE2-NZ 3.12Å
512	Q	46.7	Very low	48.8	Very low	132 Å²	132	93.8 Å²	93.8	62%	0.617	51%	0.505	S	S	*	.	H	α-helix	trans	-79.7	-37.1	169.4	-75.2	-177.4	-28.3	0	0	113	L508 C509 W510 K515	L508-Q512 WeakPolarHBondContact O-CG 3.13Å; L508-Q512 PolarHBondContact O-N 3.27Å; C509-Q512 PolarHBondContact O-N 2.77Å; W510-Q512 PolarHBondContact O-N 2.75Å; Q512-K515 PolarHBondContact O-N 3.15Å
513	H	51	Low	50.4	Low	95 Å²	95	91 Å²	91	44%	0.44	48%	0.484	S	S	.	.	H	α-helix	trans	-67.7	-38.9	176.2	-121.5	128.9	0	0	0	112.5	C509 W510 K515 L516	C509-H513 PolarHBondContact O-N 3.44Å; W510-H513 PolarHBondContact O-N 3.07Å; H513-K515 PolarHBondContact O-N 3.3Å; H513-L516 WeakPolarHBondContact O-CB 3.42Å; H513-L516 PolarHBondContact O-N 3.03Å
514	C	49.2	Very low	52.2	Low	12 Å²	12	86.7 Å²	86.7	8%	0.081	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-57.1	-30.3	174.9	-71.5	0	0	0	0	113	W510 L516 L517	W510-C514 PolarHBondContact O-N 3.44Å; W510-C514 PolarHBondContact O-SG 3Å; C514-L516 PolarHBondContact O-N 3.03Å; C514-L517 PolarHBondContact O-N 3.34Å; C514-L517 VanDerWaalsContact O-N 3.13Å
515	K	47.9	Very low	54.4	Low	134 Å²	134	77.1 Å²	77.1	58%	0.583	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-70.1	-7.9	177.2	-67.5	162.3	-171.2	154.3	0	113.1	E511 Q512 H513	E511-K515 VanDerWaalsContact O-CD 3.27Å; E511-K515 WeakPolarHBondContact O-CD 3.26Å; E511-K515 WeakPolarHBondContact O-CE 3.2Å; E511-K515 WeakPolarHBondContact O-CG 3.4Å; E511-K515 PolarHBondContact O-NZ 2.69Å; E511-K515 IonicContact OE2-NZ 2.97Å; E511-K515 PolarHBondContact OE2-NZ 3.35Å; E511-K515 VanDerWaalsContact OE2-NZ 3.12Å; Q512-K515 PolarHBondContact O-N 3.15Å; H513-K515 PolarHBondContact O-N 3.3Å
516	L	49.6	Very low	56.7	Low	110 Å²	110	76.5 Å²	76.5	58%	0.576	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-101.9	-0.1	173.8	-57.3	175.1	0	0	0	113.3	H513 C514 P518	H513-L516 WeakPolarHBondContact O-CB 3.42Å; H513-L516 PolarHBondContact O-N 3.03Å; C514-L516 PolarHBondContact O-N 3.03Å; L516-P518 VanDerWaalsContact C-CD 3.43Å; L516-P518 WeakPolarHBondContact O-CD 3.05Å
517	L	61.9	Low	59	Low	26 Å²	26	76.6 Å²	76.6	14%	0.136	42%	0.423	C	S	.	.	S	Bend	trans	-120	67.8	179.8	-64.2	178.4	0	0	0	111.3	C514 G519 V520 L543 M591	C514-L517 PolarHBondContact O-N 3.34Å; C514-L517 VanDerWaalsContact O-N 3.13Å; L517-G519 PolarHBondContact O-N 2.77Å; L517-V520 HydrophobicContact CB-CB 4.21Å; L517-V520 HydrophobicContact CB-CG2 3.96Å; L517-V520 PolarHBondContact O-N 2.82Å; L517-L543 HydrophobicContact CD2-CD2 3.98Å; L517-M591 HydrophobicContact CD1-CG 4.5Å
518	P	53.2	Low	61.3	Low	85 Å²	85	72.7 Å²	72.7	55%	0.552	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	122.5	179.4	26.5	-34.3	0	0	0	110.8	L516	L516-P518 VanDerWaalsContact C-CD 3.43Å; L516-P518 WeakPolarHBondContact O-CD 3.05Å
519	G	59.7	Low	63.7	Low	52 Å²	52	68.3 Å²	68.3	54%	0.536	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	100.8	-0.2	179.8	0	0	0	0	0	116.1	L517 I523	L517-G519 PolarHBondContact O-N 2.77Å; G519-I523 WeakPolarHBondContact O-CD1 3.44Å
520	V	63.7	Low	66	Low	4 Å²	4	70.1 Å²	70.1	2%	0.024	40%	0.395	C	S	.	.			trans	-93.1	-25.7	176.9	178.4	0	0	0	0	113.2	L517 G522 F539 A588 M591 F592	L517-V520 HydrophobicContact CB-CB 4.21Å; L517-V520 HydrophobicContact CB-CG2 3.96Å; L517-V520 PolarHBondContact O-N 2.82Å; V520-G522 PolarHBondContact O-N 3.22Å; V520-F539 HydrophobicContact CG2-CE2 3.74Å; V520-F539 HydrophobicContact CG2-CZ 3.83Å; V520-A588 HydrophobicContact CG2-CB 4.17Å; V520-M591 HydrophobicContact CG1-CB 3.42Å; V520-M591 VanDerWaalsContact CG1-CB 3.42Å; V520-M591 HydrophobicContact CG1-CE 4.27Å; V520-M591 HydrophobicContact CG1-CG 3.77Å; V520-F592 HydrophobicContact CB-CE1 4.42Å; V520-F592 HydrophobicContact CG1-CD1 4.24Å; V520-F592 HydrophobicContact CG1-CE1 3.87Å; V520-F592 HydrophobicContact CG1-CZ 4.42Å; V520-F592 HydrophobicContact CG2-CZ 4.43Å
521	Q	61.2	Low	68.4	Low	138 Å²	138	66.3 Å²	66.3	65%	0.645	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	132.3	-179.2	-69.8	-171.1	-48.3	0	0	112.5
522	G	62.8	Low	70.7	Confident	61 Å²	61	64 Å²	64	63%	0.629	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.4	5.5	174.1	0	0	0	0	0	115.5	V520	V520-G522 PolarHBondContact O-N 3.22Å
523	I	78.3	Confident	72.9	Confident	31 Å²	31	58.8 Å²	58.8	16%	0.159	35%	0.353	C	S	.	.			trans	-99.9	130.2	175.1	-48.1	-171.4	0	0	0	109.3	G519 Q527 V528 W531 F592 T595	G519-I523 WeakPolarHBondContact O-CD1 3.44Å; I523-Q527 HydrophobicContact CG2-CB 4.25Å; I523-Q527 HydrophobicContact CG2-CG 4.35Å; I523-V528 HydrophobicContact CG2-CG2 3.63Å; I523-W531 HydrophobicContact CD1-CH2 4.43Å; I523-W531 HydrophobicContact CD1-CZ2 4Å; I523-W531 HydrophobicContact CG2-CZ2 3.99Å; I523-F592 HydrophobicContact CB-CD1 4.13Å; I523-F592 HydrophobicContact CB-CE1 3.96Å; I523-F592 HydrophobicContact CG2-CD1 4.36Å; I523-F592 HydrophobicContact CG2-CE1 4.24Å; I523-T595 PolarHBondContact O-OG1 3.49Å; I523-T595 VanDerWaalsContact O-OG1 3.09Å
524	H	80.3	Confident	75	Confident	56 Å²	56	57.2 Å²	57.2	26%	0.259	35%	0.348	S	S	.	.			trans	-95	151.3	179.7	-72	-96.1	0	0	0	111.7	S526 Q527 V528 T595 D596	H524-S526 PolarHBondContact O-N 3.33Å; H524-Q527 WeakPolarHBondContact O-CA 3.29Å; H524-Q527 WeakPolarHBondContact O-CB 3.49Å; H524-Q527 PolarHBondContact O-N 3.25Å; H524-V528 PolarHBondContact O-N 3.23Å; H524-T595 PolarHBondContact CE1-O 3.15Å; H524-T595 PolarHBondContact ND1-O 3.33Å; H524-D596 IonicContact CG-OD1 2.66Å; H524-D596 IonicContact ND1-OD1 3.15Å; H524-D596 PolarHBondContact ND1-OD1 2.66Å
525	A	85.6	Confident	77	Confident	16 Å²	16	60.6 Å²	60.6	13%	0.132	36%	0.363	C	S	.	.	H	α-helix	trans	-53.7	-39.1	174.9	0	0	0	0	0	112.4	Q527 V528 A529 L564 F592	A525-Q527 VanDerWaalsContact C-N 3.26Å; A525-Q527 PolarHBondContact O-N 3.12Å; A525-V528 PolarHBondContact O-N 2.79Å; A525-V528 VanDerWaalsContact O-N 3.16Å; A525-A529 WeakPolarHBondContact O-CB 3.38Å; A525-A529 PolarHBondContact O-N 2.74Å; A525-L564 HydrophobicContact CB-CD1 4.3Å; A525-L564 HydrophobicContact CB-CD2 4.35Å; A525-L564 WeakPolarHBondContact O-CD1 3.37Å; A525-F592 WeakPolarHBondContact CB-O 3.39Å; A525-F592 PolarHBondContact N-O 3.04Å; A525-F592 VanDerWaalsContact N-O 3.15Å
526	S	84	Confident	79.2	Confident	83 Å²	83	54.2 Å²	54.2	58%	0.58	34%	0.335	S	S	*	.	H	α-helix	trans	-60.7	-29.4	174.6	51.4	0	0	0	0	114.3	H524	H524-S526 PolarHBondContact O-N 3.33Å
527	Q	85.4	Confident	81.3	Confident	105 Å²	105	50.7 Å²	50.7	49%	0.491	32%	0.315	S	S	.	.	H	α-helix	trans	-81.8	-36.3	173.3	-173.5	-178.5	-0	0	0	111.8	I523 H524 A525 A530 W531	I523-Q527 HydrophobicContact CG2-CB 4.25Å; I523-Q527 HydrophobicContact CG2-CG 4.35Å; H524-Q527 WeakPolarHBondContact O-CA 3.29Å; H524-Q527 WeakPolarHBondContact O-CB 3.49Å; H524-Q527 PolarHBondContact O-N 3.25Å; A525-Q527 VanDerWaalsContact C-N 3.26Å; A525-Q527 PolarHBondContact O-N 3.12Å; Q527-A530 PolarHBondContact O-N 3.46Å; Q527-W531 PolarHBondContact O-NE1 3.16Å
528	V	90.8	Very high	82.7	Confident	0 Å²	0	56 Å²	56	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-67.1	-39	176.7	177.1	0	0	0	0	111.3	I523 H524 A525 A530 W531 G560 L563 L564 F592	I523-V528 HydrophobicContact CG2-CG2 3.63Å; H524-V528 PolarHBondContact O-N 3.23Å; A525-V528 PolarHBondContact O-N 2.79Å; A525-V528 VanDerWaalsContact O-N 3.16Å; V528-A530 PolarHBondContact O-N 3.29Å; V528-A530 VanDerWaalsContact O-N 3.16Å; V528-W531 HydrophobicContact CB-CD2 4.4Å; V528-W531 HydrophobicContact CG1-CD2 4.14Å; V528-W531 HydrophobicContact CG1-CE3 3.87Å; V528-W531 HydrophobicContact CG1-CZ3 4.1Å; V528-W531 HydrophobicContact CG2-CD2 4.47Å; V528-W531 HydrophobicContact CG2-CH2 4.02Å; V528-W531 HydrophobicContact CG2-CZ2 3.91Å; V528-W531 HydrophobicContact CG2-CZ3 4.34Å; V528-W531 VanDerWaalsContact O-CB 3.23Å; V528-W531 WeakPolarHBondContact O-CB 3.37Å; V528-W531 PolarHBondContact O-N 3.36Å; V528-G560 WeakPolarHBondContact O-CA 3.29Å; V528-L563 HydrophobicContact CG1-CD2 4.1Å; V528-L564 HydrophobicContact CB-CD1 4.1Å; V528-L564 HydrophobicContact CB-CD2 4.26Å; V528-L564 HydrophobicContact CB-CG 4.33Å; V528-L564 HydrophobicContact CG1-CD1 4.09Å; V528-L564 HydrophobicContact CG1-CD2 3.94Å; V528-L564 HydrophobicContact CG1-CG 3.84Å; V528-F592 HydrophobicContact CG1-CD2 4.2Å; V528-F592 HydrophobicContact CG1-CE2 4.43Å; V528-F592 HydrophobicContact CG2-CB 4.15Å; V528-F592 HydrophobicContact CG2-CD1 3.78Å; V528-F592 HydrophobicContact CG2-CD2 3.83Å; V528-F592 HydrophobicContact CG2-CE1 4.05Å; V528-F592 HydrophobicContact CG2-CE2 4.08Å; V528-F592 HydrophobicContact CG2-CG 3.68Å; V528-F592 HydrophobicContact CG2-CZ 4.19Å
529	A	91.1	Very high	84.6	Confident	30 Å²	30	52.8 Å²	52.8	25%	0.248	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-32.9	176.2	0	0	0	0	0	112.8	A525 W531 E561 L564	A525-A529 WeakPolarHBondContact O-CB 3.38Å; A525-A529 PolarHBondContact O-N 2.74Å; A529-W531 VanDerWaalsContact C-N 3.29Å; A529-W531 PolarHBondContact O-N 2.68Å; A529-E561 HydrophobicContact CB-CG 4.23Å; A529-E561 WeakPolarHBondContact O-CG 3.38Å; A529-L564 HydrophobicContact CB-CD1 3.97Å
530	A	92.4	Very high	86.1	Confident	84 Å²	84	50.3 Å²	50.3	69%	0.694	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	0.8	178	0	0	0	0	0	114.6	Q527 V528	Q527-A530 PolarHBondContact O-N 3.46Å; V528-A530 PolarHBondContact O-N 3.29Å; V528-A530 VanDerWaalsContact O-N 3.16Å
531	W	95.8	Very high	87.4	Confident	34 Å²	34	54.1 Å²	54.1	13%	0.129	30%	0.303	C	S	.	.			trans	-73.5	134.6	-179.1	-71.3	0.1	0	0	0	112.7	I523 Q527 V528 A529 E535 V536 F539 G560 L563 F592	I523-W531 HydrophobicContact CD1-CH2 4.43Å; I523-W531 HydrophobicContact CD1-CZ2 4Å; I523-W531 HydrophobicContact CG2-CZ2 3.99Å; Q527-W531 PolarHBondContact O-NE1 3.16Å; V528-W531 HydrophobicContact CB-CD2 4.4Å; V528-W531 HydrophobicContact CG1-CD2 4.14Å; V528-W531 HydrophobicContact CG1-CE3 3.87Å; V528-W531 HydrophobicContact CG1-CZ3 4.1Å; V528-W531 HydrophobicContact CG2-CD2 4.47Å; V528-W531 HydrophobicContact CG2-CH2 4.02Å; V528-W531 HydrophobicContact CG2-CZ2 3.91Å; V528-W531 HydrophobicContact CG2-CZ3 4.34Å; V528-W531 VanDerWaalsContact O-CB 3.23Å; V528-W531 WeakPolarHBondContact O-CB 3.37Å; V528-W531 PolarHBondContact O-N 3.36Å; A529-W531 VanDerWaalsContact C-N 3.29Å; A529-W531 PolarHBondContact O-N 2.68Å; W531-E535 HydrophobicContact CB-CB 4Å; W531-E535 HydrophobicContact CD2-CB 4.49Å; W531-E535 HydrophobicContact CG-CB 4.12Å; W531-V536 HydrophobicContact CB-CG2 4.15Å; W531-V536 HydrophobicContact CE3-CG2 4.21Å; W531-F539 HydrophobicContact CE3-CB 4.41Å; W531-F539 HydrophobicContact CH2-CB 4.15Å; W531-F539 AromaticContact CH2-CD2 3.92Å; W531-F539 HydrophobicContact CH2-CD2 3.92Å; W531-F539 AromaticContact CH2-CG 3.9Å; W531-F539 HydrophobicContact CH2-CG 3.9Å; W531-F539 HydrophobicContact CZ3-CB 3.65Å; W531-F539 AromaticContact CZ3-CD1 3.93Å; W531-F539 HydrophobicContact CZ3-CD1 3.93Å; W531-F539 HydrophobicContact CZ3-CD2 4.08Å; W531-F539 AromaticContact CZ3-CG 3.56Å; W531-F539 HydrophobicContact CZ3-CG 3.56Å; W531-G560 PolarHBondContact O-N 3.5Å; W531-L563 HydrophobicContact CE3-CD2 4.22Å; W531-L563 HydrophobicContact CZ3-CD2 4.18Å; W531-F592 HydrophobicContact CH2-CE1 4.39Å; W531-F592 HydrophobicContact CH2-CE2 4.29Å; W531-F592 AromaticContact CH2-CZ 3.77Å; W531-F592 HydrophobicContact CH2-CZ 3.77Å; W531-F592 HydrophobicContact CZ3-CE2 4.33Å; W531-F592 HydrophobicContact CZ3-CZ 4.23Å
532	S	95.2	Very high	88.6	Confident	55 Å²	55	52.9 Å²	52.9	39%	0.385	30%	0.301	S	S	.	.			trans	-71.2	161.5	166.2	66.2	0	0	0	0	112.1	D534 E535 V536	S532-D534 PolarHBondContact O-N 2.85Å; S532-D534 VanDerWaalsContact O-N 3.11Å; S532-E535 VanDerWaalsContact CB-OE2 3.31Å; S532-E535 WeakPolarHBondContact CB-OE2 3.26Å; S532-E535 PolarHBondContact N-OE2 2.73Å; S532-E535 WeakPolarHBondContact O-CA 3.46Å; S532-E535 WeakPolarHBondContact O-CB 3.4Å; S532-E535 PolarHBondContact O-N 3.03Å; S532-E535 PolarHBondContact OG-N 3.43Å; S532-E535 PolarHBondContact OG-OE2 2.56Å; S532-V536 PolarHBondContact O-N 2.76Å
533	V	92.7	Very high	89.7	Confident	23 Å²	23	50.1 Å²	50.1	14%	0.139	27%	0.272	C	S	.	.	H	α-helix	trans	-52.1	-32.9	172	-176	0	0	0	0	112.2	E535 F537 K554 M557 I558 D559	V533-E535 VanDerWaalsContact C-N 3.35Å; V533-F537 WeakPolarHBondContact O-CB 3.42Å; V533-F537 PolarHBondContact O-N 2.91Å; V533-K554 HydrophobicContact CG1-CB 4.41Å; V533-K554 HydrophobicContact CG1-CG 4.23Å; V533-M557 HydrophobicContact CG2-CE 4.29Å; V533-M557 WeakPolarHBondContact CG2-O 3.43Å; V533-I558 WeakPolarHBondContact CA-O 3.31Å; V533-D559 HydrophobicContact CG2-CB 4.05Å
534	D	93.4	Very high	89.8	Confident	62 Å²	62	53.8 Å²	53.8	33%	0.332	29%	0.29	S	S	.	.	H	α-helix	trans	-73.3	-24.3	177.4	-109.3	-57.5	0	0	0	113.5	S532 R538 K554	S532-D534 PolarHBondContact O-N 2.85Å; S532-D534 VanDerWaalsContact O-N 3.11Å; D534-R538 WeakPolarHBondContact O-CD 3.49Å; D534-R538 WeakPolarHBondContact O-CG 3.29Å; D534-R538 PolarHBondContact O-N 2.65Å; D534-R538 PolarHBondContact O-NE 3.17Å; D534-R538 IonicContact OD1-NH2 3.69Å; D534-K554 IonicContact OD1-NZ 3.35Å; D534-K554 PolarHBondContact OD1-NZ 3.38Å; D534-K554 IonicContact OD2-NZ 2.69Å; D534-K554 PolarHBondContact OD2-NZ 3.11Å
535	E	92.4	Very high	89.8	Confident	83 Å²	83	52.5 Å²	52.5	39%	0.388	29%	0.292	S	S	.	.	H	α-helix	trans	-84.7	-41.6	174.7	-72.2	158.2	124.8	0	0	111.2	W531 S532 V533 F537 R538 F539	W531-E535 HydrophobicContact CB-CB 4Å; W531-E535 HydrophobicContact CD2-CB 4.49Å; W531-E535 HydrophobicContact CG-CB 4.12Å; S532-E535 VanDerWaalsContact CB-OE2 3.31Å; S532-E535 WeakPolarHBondContact CB-OE2 3.26Å; S532-E535 PolarHBondContact N-OE2 2.73Å; S532-E535 WeakPolarHBondContact O-CA 3.46Å; S532-E535 WeakPolarHBondContact O-CB 3.4Å; S532-E535 PolarHBondContact O-N 3.03Å; S532-E535 PolarHBondContact OG-N 3.43Å; S532-E535 PolarHBondContact OG-OE2 2.56Å; V533-E535 VanDerWaalsContact C-N 3.35Å; E535-F537 VanDerWaalsContact C-N 3.32Å; E535-F537 PolarHBondContact O-N 3.47Å; E535-R538 PolarHBondContact O-N 2.66Å; E535-F539 WeakPolarHBondContact O-CB 3.37Å; E535-F539 PolarHBondContact O-N 3.09Å
536	V	94.3	Very high	89.8	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-57	-45.8	168.8	173.8	0	0	0	0	111.1	W531 S532 R538 F539 V540 F553 I558 L563	W531-V536 HydrophobicContact CB-CG2 4.15Å; W531-V536 HydrophobicContact CE3-CG2 4.21Å; S532-V536 PolarHBondContact O-N 2.76Å; V536-R538 PolarHBondContact O-N 3.14Å; V536-F539 PolarHBondContact O-N 2.84Å; V536-V540 WeakPolarHBondContact O-CG2 3.33Å; V536-V540 PolarHBondContact O-N 2.95Å; V536-F553 HydrophobicContact CG1-CB 4.26Å; V536-F553 HydrophobicContact CG1-CD1 3.92Å; V536-F553 HydrophobicContact CG1-CG 4.47Å; V536-I558 WeakPolarHBondContact CB-O 3.29Å; V536-I558 HydrophobicContact CG1-CG2 4.31Å; V536-I558 WeakPolarHBondContact CG1-O 3.36Å; V536-L563 HydrophobicContact CG1-CB 4.39Å; V536-L563 HydrophobicContact CG1-CD1 4.21Å; V536-L563 HydrophobicContact CG1-CD2 4.09Å; V536-L563 HydrophobicContact CG1-CG 4.46Å; V536-L563 HydrophobicContact CG2-CB 4.28Å; V536-L563 HydrophobicContact CG2-CD2 4.05Å
537	F	94.1	Very high	90	Very high	37 Å²	37	52.4 Å²	52.4	16%	0.162	28%	0.28	C	S	.	.	H	α-helix	trans	-55.2	-52.2	174.8	171.9	-99.1	0	0	0	112	V533 E535 F539 V540 Q541 A550 R551 K554	V533-F537 WeakPolarHBondContact O-CB 3.42Å; V533-F537 PolarHBondContact O-N 2.91Å; E535-F537 VanDerWaalsContact C-N 3.32Å; E535-F537 PolarHBondContact O-N 3.47Å; F537-F539 VanDerWaalsContact C-N 3.31Å; F537-F539 PolarHBondContact O-N 3.46Å; F537-V540 PolarHBondContact O-N 3.04Å; F537-Q541 VanDerWaalsContact O-CB 3.25Å; F537-Q541 WeakPolarHBondContact O-CB 3.32Å; F537-Q541 PolarHBondContact O-N 3.04Å; F537-A550 HydrophobicContact CD2-CB 4.04Å; F537-A550 VanDerWaalsContact CD2-O 3.28Å; F537-A550 WeakPolarHBondContact CD2-O 3.46Å; F537-A550 HydrophobicContact CE2-CB 3.94Å; F537-R551 HydrophobicContact CE2-CG 4.33Å; F537-K554 HydrophobicContact CB-CB 4.19Å; F537-K554 HydrophobicContact CB-CD 4.2Å; F537-K554 HydrophobicContact CD1-CD 4.38Å; F537-K554 HydrophobicContact CD2-CB 3.63Å; F537-K554 HydrophobicContact CD2-CD 3.94Å; F537-K554 HydrophobicContact CD2-CG 4.4Å; F537-K554 HydrophobicContact CE2-CB 4.43Å; F537-K554 HydrophobicContact CE2-CD 4.49Å; F537-K554 HydrophobicContact CG-CB 4.16Å; F537-K554 HydrophobicContact CG-CD 3.89Å
538	R	90.9	Very high	90.1	Very high	136 Å²	136	54 Å²	54	51%	0.513	29%	0.287	S	S	.	.	H	α-helix	trans	-63.4	-38	178.8	-71.2	167.2	-158.5	160	10.1	111.9	D534 E535 V536 Q541 N542	D534-R538 WeakPolarHBondContact O-CD 3.49Å; D534-R538 WeakPolarHBondContact O-CG 3.29Å; D534-R538 PolarHBondContact O-N 2.65Å; D534-R538 PolarHBondContact O-NE 3.17Å; D534-R538 IonicContact OD1-NH2 3.69Å; E535-R538 PolarHBondContact O-N 2.66Å; V536-R538 PolarHBondContact O-N 3.14Å; R538-Q541 PolarHBondContact O-N 3.32Å; R538-N542 WeakPolarHBondContact O-CB 3.45Å; R538-N542 PolarHBondContact O-N 2.94Å; R538-N542 PolarHBondContact O-ND2 3.26Å; R538-N542 VanDerWaalsContact O-ND2 3.14Å
539	F	92.3	Very high	90.1	Very high	19 Å²	19	55.9 Å²	55.9	8%	0.083	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-54.6	177.2	173.5	-105.6	0	0	0	111.2	V520 W531 E535 V536 F537 Q541 N542 L543 L563 A588 F592	V520-F539 HydrophobicContact CG2-CE2 3.74Å; V520-F539 HydrophobicContact CG2-CZ 3.83Å; W531-F539 HydrophobicContact CE3-CB 4.41Å; W531-F539 HydrophobicContact CH2-CB 4.15Å; W531-F539 AromaticContact CH2-CD2 3.92Å; W531-F539 HydrophobicContact CH2-CD2 3.92Å; W531-F539 AromaticContact CH2-CG 3.9Å; W531-F539 HydrophobicContact CH2-CG 3.9Å; W531-F539 HydrophobicContact CZ3-CB 3.65Å; W531-F539 AromaticContact CZ3-CD1 3.93Å; W531-F539 HydrophobicContact CZ3-CD1 3.93Å; W531-F539 HydrophobicContact CZ3-CD2 4.08Å; W531-F539 AromaticContact CZ3-CG 3.56Å; W531-F539 HydrophobicContact CZ3-CG 3.56Å; E535-F539 WeakPolarHBondContact O-CB 3.37Å; E535-F539 PolarHBondContact O-N 3.09Å; V536-F539 PolarHBondContact O-N 2.84Å; F537-F539 VanDerWaalsContact C-N 3.31Å; F537-F539 PolarHBondContact O-N 3.46Å; F539-Q541 VanDerWaalsContact C-N 3.27Å; F539-Q541 PolarHBondContact O-N 2.74Å; F539-N542 PolarHBondContact O-N 2.55Å; F539-N542 VanDerWaalsContact O-N 3.12Å; F539-L543 HydrophobicContact CE1-CD1 3.86Å; F539-L543 HydrophobicContact CE1-CG 4.35Å; F539-L543 HydrophobicContact CE2-CD2 4.24Å; F539-L543 HydrophobicContact CZ-CD1 3.96Å; F539-L543 HydrophobicContact CZ-CD2 3.89Å; F539-L543 HydrophobicContact CZ-CG 4.09Å; F539-L543 PolarHBondContact O-N 2.59Å; F539-L563 HydrophobicContact CD1-CD2 4.37Å; F539-A588 HydrophobicContact CE1-CB 4.05Å; F539-A588 HydrophobicContact CZ-CB 3.67Å; F539-F592 HydrophobicContact CD1-CE2 4.49Å; F539-F592 HydrophobicContact CD2-CZ 4.31Å; F539-F592 AromaticContact CE1-CE2 3.9Å; F539-F592 HydrophobicContact CE1-CE2 3.9Å; F539-F592 HydrophobicContact CE1-CZ 4.03Å; F539-F592 HydrophobicContact CE2-CE2 4.45Å; F539-F592 AromaticContact CE2-CZ 3.75Å; F539-F592 HydrophobicContact CE2-CZ 3.75Å; F539-F592 AromaticContact CZ-CE2 3.91Å; F539-F592 HydrophobicContact CZ-CE2 3.91Å; F539-F592 AromaticContact CZ-CZ 3.61Å; F539-F592 HydrophobicContact CZ-CZ 3.61Å
540	V	91.7	Very high	90	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.6	-34.7	178.6	179.5	0	0	0	0	111.3	V536 F537 N542 L543 C546 A550 F553 I585	V536-V540 WeakPolarHBondContact O-CG2 3.33Å; V536-V540 PolarHBondContact O-N 2.95Å; F537-V540 PolarHBondContact O-N 3.04Å; V540-N542 VanDerWaalsContact C-N 3.28Å; V540-N542 PolarHBondContact O-N 2.95Å; V540-L543 PolarHBondContact O-N 2.77Å; V540-C546 HydrophobicContact CG1-CB 4.26Å; V540-C546 WeakPolarHBondContact O-CB 3.39Å; V540-A550 HydrophobicContact CB-CB 4.12Å; V540-A550 HydrophobicContact CG1-CB 4.01Å; V540-F553 HydrophobicContact CG1-CD2 4.06Å; V540-F553 HydrophobicContact CG1-CE2 4.19Å; V540-F553 HydrophobicContact CG2-CD1 4.15Å; V540-F553 HydrophobicContact CG2-CD2 4.2Å; V540-F553 HydrophobicContact CG2-CE1 4.33Å; V540-F553 HydrophobicContact CG2-CE2 4.38Å; V540-F553 HydrophobicContact CG2-CG 4.1Å; V540-F553 HydrophobicContact CG2-CZ 4.46Å; V540-I585 HydrophobicContact CG1-CD1 3.85Å; V540-I585 HydrophobicContact CG1-CG1 4.23Å
541	Q	90.9	Very high	89.9	Confident	83 Å²	83	57.5 Å²	57.5	39%	0.388	28%	0.278	S	S	.	.	H	α-helix	trans	-65	-29.9	176.4	-169	178.9	12.6	0	0	113.1	F537 R538 F539 A550	F537-Q541 VanDerWaalsContact O-CB 3.25Å; F537-Q541 WeakPolarHBondContact O-CB 3.32Å; F537-Q541 PolarHBondContact O-N 3.04Å; R538-Q541 PolarHBondContact O-N 3.32Å; F539-Q541 VanDerWaalsContact C-N 3.27Å; F539-Q541 PolarHBondContact O-N 2.74Å; Q541-A550 HydrophobicContact CB-CB 3.71Å; Q541-A550 HydrophobicContact CG-CB 4.4Å
542	N	86.5	Confident	89.6	Confident	113 Å²	113	58.6 Å²	58.6	60%	0.604	29%	0.286	S	S	*	.	H	α-helix	trans	-85.6	-8.5	178.8	-70.7	-27.4	0	0	0	113.5	R538 F539 V540 I544	R538-N542 WeakPolarHBondContact O-CB 3.45Å; R538-N542 PolarHBondContact O-N 2.94Å; R538-N542 PolarHBondContact O-ND2 3.26Å; R538-N542 VanDerWaalsContact O-ND2 3.14Å; F539-N542 PolarHBondContact O-N 2.55Å; F539-N542 VanDerWaalsContact O-N 3.12Å; V540-N542 VanDerWaalsContact C-N 3.28Å; V540-N542 PolarHBondContact O-N 2.95Å; N542-I544 PolarHBondContact O-N 3.08Å
543	L	86.1	Confident	89.5	Confident	3 Å²	3	56 Å²	56	2%	0.016	27%	0.268	C	S	.	.	S	Bend	trans	-74.4	119.6	172.1	-67.4	177	0	0	0	109.7	L517 F539 V540 G545 C546 I585	L517-L543 HydrophobicContact CD2-CD2 3.98Å; F539-L543 HydrophobicContact CE1-CD1 3.86Å; F539-L543 HydrophobicContact CE1-CG 4.35Å; F539-L543 HydrophobicContact CE2-CD2 4.24Å; F539-L543 HydrophobicContact CZ-CD1 3.96Å; F539-L543 HydrophobicContact CZ-CD2 3.89Å; F539-L543 HydrophobicContact CZ-CG 4.09Å; F539-L543 PolarHBondContact O-N 2.59Å; V540-L543 PolarHBondContact O-N 2.77Å; L543-G545 PolarHBondContact O-N 3.12Å; L543-G545 VanDerWaalsContact O-N 3.14Å; L543-C546 HydrophobicContact CB-CB 3.9Å; L543-C546 VanDerWaalsContact O-CB 3.3Å; L543-C546 WeakPolarHBondContact O-CB 3.26Å; L543-C546 PolarHBondContact O-N 3.38Å; L543-I585 HydrophobicContact CD1-CG1 3.91Å
544	I	79.9	Confident	89.4	Confident	107 Å²	107	58.6 Å²	58.6	55%	0.549	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	118	-174.9	-59.1	167.6	0	0	0	110.7	N542 K584	N542-I544 PolarHBondContact O-N 3.08Å; I544-K584 WeakPolarHBondContact O-CD 3.49Å; I544-K584 PolarHBondContact O-NZ 3.31Å
545	G	79.9	Confident	89.2	Confident	29 Å²	29	61.9 Å²	61.9	30%	0.299	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.7	31.8	-178.4	0	0	0	0	0	114.2	L543 E547	L543-G545 PolarHBondContact O-N 3.12Å; L543-G545 VanDerWaalsContact O-N 3.14Å; G545-E547 VanDerWaalsContact C-OE2 3.29Å; G545-E547 WeakPolarHBondContact CA-OE2 3.38Å; G545-E547 PolarHBondContact N-OE1 3.44Å; G545-E547 PolarHBondContact N-OE2 3.04Å
546	C	86.4	Confident	89.1	Confident	0 Å²	0	64 Å²	64	0%	0	30%	0.301	C	S	.	.			trans	-128.4	10.3	171.9	-60.5	0	0	0	0	112.4	V540 L543 E548 Q549 A550	V540-C546 HydrophobicContact CG1-CB 4.26Å; V540-C546 WeakPolarHBondContact O-CB 3.39Å; L543-C546 HydrophobicContact CB-CB 3.9Å; L543-C546 VanDerWaalsContact O-CB 3.3Å; L543-C546 WeakPolarHBondContact O-CB 3.26Å; L543-C546 PolarHBondContact O-N 3.38Å; C546-E548 VanDerWaalsContact C-N 3.3Å; C546-E548 PolarHBondContact O-N 3.16Å; C546-Q549 VanDerWaalsContact CA-OE1 3.31Å; C546-Q549 WeakPolarHBondContact O-CB 3.34Å; C546-Q549 PolarHBondContact O-N 3.35Å; C546-A550 PolarHBondContact O-N 3.24Å; C546-A550 VanDerWaalsContact O-N 3.1Å
547	E	88.3	Confident	89	Confident	97 Å²	97	70.4 Å²	70.4	45%	0.453	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-31.5	-167.9	-54.7	79.7	-178.8	0	0	112.7	G545	G545-E547 VanDerWaalsContact C-OE2 3.29Å; G545-E547 WeakPolarHBondContact CA-OE2 3.38Å; G545-E547 PolarHBondContact N-OE1 3.44Å; G545-E547 PolarHBondContact N-OE2 3.04Å
548	E	86.4	Confident	89	Confident	140 Å²	140	69.8 Å²	69.8	65%	0.654	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-34.9	173.9	-63.3	-170.8	140.3	0	0	112.1	C546 A550 R551	C546-E548 VanDerWaalsContact C-N 3.3Å; C546-E548 PolarHBondContact O-N 3.16Å; E548-A550 VanDerWaalsContact C-N 3.33Å; E548-A550 PolarHBondContact O-N 3.43Å; E548-R551 PolarHBondContact O-N 3.08Å
549	Q	91.3	Very high	89.1	Confident	38 Å²	38	66.4 Å²	66.4	18%	0.178	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-28.6	-175.1	-70.4	63	49.7	0	0	111.8	C546 R551 L552 I577 P581	C546-Q549 VanDerWaalsContact CA-OE1 3.31Å; C546-Q549 WeakPolarHBondContact O-CB 3.34Å; C546-Q549 PolarHBondContact O-N 3.35Å; Q549-R551 PolarHBondContact O-N 3.4Å; Q549-R551 VanDerWaalsContact O-N 3.14Å; Q549-L552 WeakPolarHBondContact O-CB 3.35Å; Q549-L552 PolarHBondContact O-N 3.33Å; Q549-I577 HydrophobicContact CB-CD1 4.09Å; Q549-I577 HydrophobicContact CB-CG1 4.41Å; Q549-I577 HydrophobicContact CG-CD1 4.29Å; Q549-I577 HydrophobicContact CG-CG1 4.08Å; Q549-I577 HydrophobicContact CG-CG2 3.73Å; Q549-P581 HydrophobicContact CG-CB 4.11Å
550	A	89.9	Confident	89.1	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-50.9	-36.2	175.1	0	0	0	0	0	113.3	F537 V540 Q541 C546 E548 L552 F553 K554	F537-A550 HydrophobicContact CD2-CB 4.04Å; F537-A550 VanDerWaalsContact CD2-O 3.28Å; F537-A550 WeakPolarHBondContact CD2-O 3.46Å; F537-A550 HydrophobicContact CE2-CB 3.94Å; V540-A550 HydrophobicContact CB-CB 4.12Å; V540-A550 HydrophobicContact CG1-CB 4.01Å; Q541-A550 HydrophobicContact CB-CB 3.71Å; Q541-A550 HydrophobicContact CG-CB 4.4Å; C546-A550 PolarHBondContact O-N 3.24Å; C546-A550 VanDerWaalsContact O-N 3.1Å; E548-A550 VanDerWaalsContact C-N 3.33Å; E548-A550 PolarHBondContact O-N 3.43Å; A550-L552 VanDerWaalsContact C-N 3.27Å; A550-L552 PolarHBondContact O-N 2.98Å; A550-F553 PolarHBondContact O-N 2.77Å; A550-K554 PolarHBondContact O-N 3.44Å
551	R	89.4	Confident	89.1	Confident	148 Å²	148	71.8 Å²	71.8	56%	0.558	35%	0.347	S	S	*	.	H	α-helix	trans	-58.7	-38.2	178.1	-66.9	-166.7	-176.8	99.7	2.5	112.7	F537 E548 Q549 F553 K554 E555	F537-R551 HydrophobicContact CE2-CG 4.33Å; E548-R551 PolarHBondContact O-N 3.08Å; Q549-R551 PolarHBondContact O-N 3.4Å; Q549-R551 VanDerWaalsContact O-N 3.14Å; R551-F553 VanDerWaalsContact C-N 3.32Å; R551-F553 PolarHBondContact O-N 3.04Å; R551-K554 CarbonylContact O-C 3.59Å; R551-K554 PolarHBondContact O-N 2.92Å; R551-E555 WeakPolarHBondContact O-CB 3.18Å; R551-E555 WeakPolarHBondContact O-CG 3.46Å; R551-E555 PolarHBondContact O-N 3.37Å
552	L	90.2	Very high	89.3	Confident	58 Å²	58	69.3 Å²	69.3	30%	0.304	34%	0.341	S	S	.	.	H	α-helix	trans	-63.6	-38.3	179.5	-59.9	169.6	0	0	0	111.4	Q549 A550 K554 E555 E556 M575 I577	Q549-L552 WeakPolarHBondContact O-CB 3.35Å; Q549-L552 PolarHBondContact O-N 3.33Å; A550-L552 VanDerWaalsContact C-N 3.27Å; A550-L552 PolarHBondContact O-N 2.98Å; L552-K554 PolarHBondContact O-N 3.47Å; L552-E555 PolarHBondContact O-N 3.46Å; L552-E556 WeakPolarHBondContact O-CB 3.41Å; L552-E556 WeakPolarHBondContact O-CG 3.37Å; L552-E556 PolarHBondContact O-N 3.48Å; L552-M575 HydrophobicContact CB-CE 4.38Å; L552-I577 HydrophobicContact CD1-CD1 3.96Å; L552-I577 HydrophobicContact CD1-CG1 3.64Å
553	F	92.7	Very high	89.6	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-63.6	-31.2	174.4	-75.1	-103	0	0	0	112.4	V536 V540 A550 R551 M557 I558 L563 L566 M575 I577 I585	V536-F553 HydrophobicContact CG1-CB 4.26Å; V536-F553 HydrophobicContact CG1-CD1 3.92Å; V536-F553 HydrophobicContact CG1-CG 4.47Å; V540-F553 HydrophobicContact CG1-CD2 4.06Å; V540-F553 HydrophobicContact CG1-CE2 4.19Å; V540-F553 HydrophobicContact CG2-CD1 4.15Å; V540-F553 HydrophobicContact CG2-CD2 4.2Å; V540-F553 HydrophobicContact CG2-CE1 4.33Å; V540-F553 HydrophobicContact CG2-CE2 4.38Å; V540-F553 HydrophobicContact CG2-CG 4.1Å; V540-F553 HydrophobicContact CG2-CZ 4.46Å; A550-F553 PolarHBondContact O-N 2.77Å; R551-F553 VanDerWaalsContact C-N 3.32Å; R551-F553 PolarHBondContact O-N 3.04Å; F553-M557 PolarHBondContact O-N 3.06Å; F553-I558 HydrophobicContact CB-CB 4.34Å; F553-I558 HydrophobicContact CB-CG1 4.47Å; F553-I558 HydrophobicContact CD1-CB 3.93Å; F553-I558 HydrophobicContact CD1-CG1 4.08Å; F553-I558 HydrophobicContact CD1-CG2 3.86Å; F553-I558 HydrophobicContact CE1-CG2 4.37Å; F553-I558 WeakPolarHBondContact O-CB 3.49Å; F553-I558 PolarHBondContact O-N 3.19Å; F553-L563 HydrophobicContact CD1-CD1 4.22Å; F553-L563 HydrophobicContact CE1-CD1 3.79Å; F553-L566 HydrophobicContact CD1-CD1 4.45Å; F553-L566 HydrophobicContact CE1-CD1 3.62Å; F553-L566 HydrophobicContact CZ-CD1 4.29Å; F553-M575 HydrophobicContact CD1-CE 4Å; F553-M575 HydrophobicContact CD2-CE 3.69Å; F553-M575 HydrophobicContact CE1-CE 4.01Å; F553-M575 HydrophobicContact CE1-SD 4.03Å; F553-M575 HydrophobicContact CE2-CE 3.69Å; F553-M575 HydrophobicContact CE2-SD 3.96Å; F553-M575 HydrophobicContact CG-CE 3.83Å; F553-M575 HydrophobicContact CZ-CE 3.84Å; F553-M575 HydrophobicContact CZ-SD 3.65Å; F553-I577 HydrophobicContact CD2-CD1 4.44Å; F553-I577 HydrophobicContact CE2-CD1 3.67Å; F553-I577 HydrophobicContact CZ-CD1 4.49Å; F553-I585 HydrophobicContact CE1-CG2 4.34Å; F553-I585 HydrophobicContact CE2-CD1 3.86Å; F553-I585 HydrophobicContact CZ-CD1 4.06Å; F553-I585 HydrophobicContact CZ-CG2 3.87Å
554	K	90.1	Very high	89.9	Confident	77 Å²	77	64.7 Å²	64.7	34%	0.335	32%	0.317	S	S	.	.	H	α-helix	trans	-84.2	-30.9	176.7	-173.9	159.5	-172.3	165.8	0	113.6	V533 D534 F537 A550 R551 L552	V533-K554 HydrophobicContact CG1-CB 4.41Å; V533-K554 HydrophobicContact CG1-CG 4.23Å; D534-K554 IonicContact OD1-NZ 3.35Å; D534-K554 PolarHBondContact OD1-NZ 3.38Å; D534-K554 IonicContact OD2-NZ 2.69Å; D534-K554 PolarHBondContact OD2-NZ 3.11Å; F537-K554 HydrophobicContact CB-CB 4.19Å; F537-K554 HydrophobicContact CB-CD 4.2Å; F537-K554 HydrophobicContact CD1-CD 4.38Å; F537-K554 HydrophobicContact CD2-CB 3.63Å; F537-K554 HydrophobicContact CD2-CD 3.94Å; F537-K554 HydrophobicContact CD2-CG 4.4Å; F537-K554 HydrophobicContact CE2-CB 4.43Å; F537-K554 HydrophobicContact CE2-CD 4.49Å; F537-K554 HydrophobicContact CG-CB 4.16Å; F537-K554 HydrophobicContact CG-CD 3.89Å; A550-K554 PolarHBondContact O-N 3.44Å; R551-K554 CarbonylContact O-C 3.59Å; R551-K554 PolarHBondContact O-N 2.92Å; L552-K554 PolarHBondContact O-N 3.47Å
555	E	88.8	Confident	90.5	Very high	131 Å²	131	66.3 Å²	66.3	61%	0.612	33%	0.325	S	S	*	.	H	α-helix	trans	-73.9	-41	176	-73.5	167.9	-164	0	0	111.2	R551 L552 M557	R551-E555 WeakPolarHBondContact O-CB 3.18Å; R551-E555 WeakPolarHBondContact O-CG 3.46Å; R551-E555 PolarHBondContact O-N 3.37Å; L552-E555 PolarHBondContact O-N 3.46Å; E555-M557 PolarHBondContact O-N 2.89Å
556	E	90.9	Very high	91	Very high	129 Å²	129	66.2 Å²	66.2	60%	0.603	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	8.3	173.3	-59.4	-59.7	138.8	0	0	113.5	L552 I558	L552-E556 WeakPolarHBondContact O-CB 3.41Å; L552-E556 WeakPolarHBondContact O-CG 3.37Å; L552-E556 PolarHBondContact O-N 3.48Å; E556-I558 VanDerWaalsContact C-N 3.29Å; E556-I558 HydrophobicContact CB-CD1 4.09Å; E556-I558 HydrophobicContact CB-CG1 4.09Å; E556-I558 PolarHBondContact O-N 2.95Å
557	M	92.1	Very high	91.1	Very high	133 Å²	133	69.4 Å²	69.4	66%	0.655	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	34.7	175.3	-65.1	-69.8	-64	0	0	115.2	V533 F553 E555 D559	V533-M557 HydrophobicContact CG2-CE 4.29Å; V533-M557 WeakPolarHBondContact CG2-O 3.43Å; F553-M557 PolarHBondContact O-N 3.06Å; E555-M557 PolarHBondContact O-N 2.89Å; M557-D559 PolarHBondContact O-N 3.09Å
558	I	94.3	Very high	91.1	Very high	25 Å²	25	68.3 Å²	68.3	13%	0.128	33%	0.332	C	S	.	.			trans	-71.4	112.7	-178.8	-51.5	-58.7	0	0	0	110.4	V533 V536 F553 E556 A562 L563 L566 M575	V533-I558 WeakPolarHBondContact CA-O 3.31Å; V536-I558 WeakPolarHBondContact CB-O 3.29Å; V536-I558 HydrophobicContact CG1-CG2 4.31Å; V536-I558 WeakPolarHBondContact CG1-O 3.36Å; F553-I558 HydrophobicContact CB-CB 4.34Å; F553-I558 HydrophobicContact CB-CG1 4.47Å; F553-I558 HydrophobicContact CD1-CB 3.93Å; F553-I558 HydrophobicContact CD1-CG1 4.08Å; F553-I558 HydrophobicContact CD1-CG2 3.86Å; F553-I558 HydrophobicContact CE1-CG2 4.37Å; F553-I558 WeakPolarHBondContact O-CB 3.49Å; F553-I558 PolarHBondContact O-N 3.19Å; E556-I558 VanDerWaalsContact C-N 3.29Å; E556-I558 HydrophobicContact CB-CD1 4.09Å; E556-I558 HydrophobicContact CB-CG1 4.09Å; E556-I558 PolarHBondContact O-N 2.95Å; I558-A562 HydrophobicContact CG2-CB 3.9Å; I558-L563 HydrophobicContact CG2-CB 4.15Å; I558-L566 HydrophobicContact CG2-CD1 4.04Å; I558-M575 HydrophobicContact CG1-CE 4.02Å
559	D	93.5	Very high	91.1	Very high	65 Å²	65	65.2 Å²	65.2	35%	0.348	32%	0.323	S	S	.	.			trans	-93.6	-175.4	172.4	63.5	25.7	0	0	0	112.4	V533 M557 E561 A562 L563	V533-D559 HydrophobicContact CG2-CB 4.05Å; M557-D559 PolarHBondContact O-N 3.09Å; D559-E561 PolarHBondContact OD1-N 2.94Å; D559-A562 PolarHBondContact O-N 2.81Å; D559-A562 WeakPolarHBondContact OD1-CB 3.45Å; D559-A562 PolarHBondContact OD1-N 2.68Å; D559-L563 VanDerWaalsContact O-CB 3.25Å; D559-L563 WeakPolarHBondContact O-CB 3.31Å; D559-L563 PolarHBondContact O-N 2.82Å
560	G	92.8	Very high	91	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-61.2	-39.9	-176.8	0	0	0	0	0	114.9	V528 W531 L564	V528-G560 WeakPolarHBondContact O-CA 3.29Å; W531-G560 PolarHBondContact O-N 3.5Å; G560-L564 WeakPolarHBondContact O-CG 3.24Å; G560-L564 PolarHBondContact O-N 3.32Å
561	E	91.8	Very high	91.1	Very high	131 Å²	131	65.4 Å²	65.4	61%	0.612	33%	0.326	S	S	*	.	H	α-helix	trans	-70.1	-46	177.1	-59.8	-163.1	142.3	0	0	110.4	A529 D559 L563 L564 L565	A529-E561 HydrophobicContact CB-CG 4.23Å; A529-E561 WeakPolarHBondContact O-CG 3.38Å; D559-E561 PolarHBondContact OD1-N 2.94Å; E561-L563 PolarHBondContact O-N 3.47Å; E561-L564 PolarHBondContact O-N 3.14Å; E561-L565 WeakPolarHBondContact O-CG 3.5Å; E561-L565 PolarHBondContact O-N 3.28Å
562	A	93.5	Very high	90.8	Very high	31 Å²	31	60.6 Å²	60.6	26%	0.256	31%	0.312	S	S	.	.	H	α-helix	trans	-61.3	-42.3	175.8	0	0	0	0	0	112.3	I558 D559 L564 L565 L566	I558-A562 HydrophobicContact CG2-CB 3.9Å; D559-A562 PolarHBondContact O-N 2.81Å; D559-A562 WeakPolarHBondContact OD1-CB 3.45Å; D559-A562 PolarHBondContact OD1-N 2.68Å; A562-L564 VanDerWaalsContact C-N 3.28Å; A562-L564 PolarHBondContact O-N 3.41Å; A562-L565 PolarHBondContact O-N 3.27Å; A562-L566 PolarHBondContact O-N 3.21Å
563	L	94.1	Very high	90.3	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-58	-40.1	176.9	179.5	67.6	0	0	0	111.9	V528 W531 V536 F539 F553 I558 D559 E561 L565 I589	V528-L563 HydrophobicContact CG1-CD2 4.1Å; W531-L563 HydrophobicContact CE3-CD2 4.22Å; W531-L563 HydrophobicContact CZ3-CD2 4.18Å; V536-L563 HydrophobicContact CG1-CB 4.39Å; V536-L563 HydrophobicContact CG1-CD1 4.21Å; V536-L563 HydrophobicContact CG1-CD2 4.09Å; V536-L563 HydrophobicContact CG1-CG 4.46Å; V536-L563 HydrophobicContact CG2-CB 4.28Å; V536-L563 HydrophobicContact CG2-CD2 4.05Å; F539-L563 HydrophobicContact CD1-CD2 4.37Å; F553-L563 HydrophobicContact CD1-CD1 4.22Å; F553-L563 HydrophobicContact CE1-CD1 3.79Å; I558-L563 HydrophobicContact CG2-CB 4.15Å; D559-L563 VanDerWaalsContact O-CB 3.25Å; D559-L563 WeakPolarHBondContact O-CB 3.31Å; D559-L563 PolarHBondContact O-N 2.82Å; E561-L563 PolarHBondContact O-N 3.47Å; L563-L565 VanDerWaalsContact C-N 3.29Å; L563-L565 PolarHBondContact O-N 3.42Å; L563-I589 HydrophobicContact CD1-CD1 3.96Å; L563-I589 HydrophobicContact CD1-CG1 4.11Å; L563-I589 HydrophobicContact CG-CD1 4.49Å; L563-I589 HydrophobicContact CG-CG1 4.22Å; L563-I589 VanDerWaalsContact O-CD1 3.29Å; L563-I589 WeakPolarHBondContact O-CD1 3.42Å; L563-I589 WeakPolarHBondContact O-CG1 3.35Å
564	L	92.6	Very high	89.8	Confident	20 Å²	20	71.2 Å²	71.2	11%	0.105	36%	0.36	C	S	.	.	H	α-helix	trans	-72.8	-20.4	177.9	-70.8	170	0	0	0	113.1	A525 V528 A529 G560 E561 A562 F592 K593	A525-L564 HydrophobicContact CB-CD1 4.3Å; A525-L564 HydrophobicContact CB-CD2 4.35Å; A525-L564 WeakPolarHBondContact O-CD1 3.37Å; V528-L564 HydrophobicContact CB-CD1 4.1Å; V528-L564 HydrophobicContact CB-CD2 4.26Å; V528-L564 HydrophobicContact CB-CG 4.33Å; V528-L564 HydrophobicContact CG1-CD1 4.09Å; V528-L564 HydrophobicContact CG1-CD2 3.94Å; V528-L564 HydrophobicContact CG1-CG 3.84Å; A529-L564 HydrophobicContact CB-CD1 3.97Å; G560-L564 WeakPolarHBondContact O-CG 3.24Å; G560-L564 PolarHBondContact O-N 3.32Å; E561-L564 PolarHBondContact O-N 3.14Å; A562-L564 VanDerWaalsContact C-N 3.28Å; A562-L564 PolarHBondContact O-N 3.41Å; L564-F592 HydrophobicContact CD2-CB 4.13Å; L564-K593 WeakPolarHBondContact O-CE 3.49Å; L564-K593 PolarHBondContact O-NZ 3.27Å
565	L	90.9	Very high	89.6	Confident	140 Å²	140	68.5 Å²	68.5	73%	0.733	35%	0.349	S	S	*	.	H	α-helix	trans	-86.2	-23.9	176.5	-66.5	174.2	0	0	0	113.3	E561 A562 L563 T567	E561-L565 WeakPolarHBondContact O-CG 3.5Å; E561-L565 PolarHBondContact O-N 3.28Å; A562-L565 PolarHBondContact O-N 3.27Å; L563-L565 VanDerWaalsContact C-N 3.29Å; L563-L565 PolarHBondContact O-N 3.42Å; L565-T567 PolarHBondContact O-N 3.15Å
566	L	91.3	Very high	89.5	Confident	27 Å²	27	67 Å²	67	14%	0.141	35%	0.353	C	S	.	.			trans	-61.4	131.8	-179.6	-73.1	172.2	0	0	0	113.1	F553 I558 A562 D570 I571 M575 I589	F553-L566 HydrophobicContact CD1-CD1 4.45Å; F553-L566 HydrophobicContact CE1-CD1 3.62Å; F553-L566 HydrophobicContact CZ-CD1 4.29Å; I558-L566 HydrophobicContact CG2-CD1 4.04Å; A562-L566 PolarHBondContact O-N 3.21Å; L566-D570 HydrophobicContact CD2-CB 3.72Å; L566-I571 HydrophobicContact CB-CD1 4.39Å; L566-I571 HydrophobicContact CB-CG1 4.26Å; L566-I571 HydrophobicContact CD1-CG1 4.4Å; L566-M575 HydrophobicContact CD1-SD 4.03Å; L566-M575 HydrophobicContact CD2-SD 4.5Å; L566-I589 HydrophobicContact CB-CD1 4.15Å
567	T	88.2	Confident	89.4	Confident	68 Å²	68	61.1 Å²	61.1	42%	0.417	33%	0.326	S	S	.	.			trans	-95.9	166.1	167.4	74.9	0	0	0	0	111.3	L565 T569 D570 I571	L565-T567 PolarHBondContact O-N 3.15Å; T567-T569 PolarHBondContact O-N 2.91Å; T567-T569 WeakPolarHBondContact OG1-CB 3.08Å; T567-T569 PolarHBondContact OG1-N 3.48Å; T567-D570 WeakPolarHBondContact CA-OD2 3.45Å; T567-D570 VanDerWaalsContact CB-OD2 3.27Å; T567-D570 WeakPolarHBondContact CB-OD2 3.48Å; T567-D570 WeakPolarHBondContact CG2-OD2 3.33Å; T567-D570 PolarHBondContact N-OD2 3.48Å; T567-D570 PolarHBondContact O-N 3.46Å; T567-D570 VanDerWaalsContact O-N 3.15Å; T567-D570 PolarHBondContact OG1-N 3.27Å; T567-D570 PolarHBondContact OG1-OD2 2.82Å; T567-I571 WeakPolarHBondContact O-CG1 3.43Å; T567-I571 PolarHBondContact O-N 3.3Å
568	Q	88.9	Confident	89.2	Confident	73 Å²	73	63.1 Å²	63.1	34%	0.341	33%	0.331	S	S	.	.	H	α-helix	trans	-51.3	-38.4	168.6	-170.7	-170.2	4.6	0	0	112.2	V572 L579 L583 S586	Q568-V572 WeakPolarHBondContact O-CG2 3.47Å; Q568-V572 PolarHBondContact O-N 2.92Å; Q568-L579 VanDerWaalsContact NE2-CD1 3.29Å; Q568-L583 VanDerWaalsContact NE2-CD2 3.28Å; Q568-S586 PolarHBondContact N-OG 3.17Å
569	T	86.1	Confident	88.5	Confident	76 Å²	76	66.5 Å²	66.5	47%	0.466	35%	0.349	S	S	.	.	H	α-helix	trans	-65.6	-39.7	-178.9	-57.4	0	0	0	0	111.6	T567 V572 K573	T567-T569 PolarHBondContact O-N 2.91Å; T567-T569 WeakPolarHBondContact OG1-CB 3.08Å; T567-T569 PolarHBondContact OG1-N 3.48Å; T569-V572 PolarHBondContact O-N 3.25Å; T569-K573 HydrophobicContact CG2-CD 3.8Å; T569-K573 HydrophobicContact CG2-CG 4.24Å; T569-K573 VanDerWaalsContact O-CB 3.28Å; T569-K573 WeakPolarHBondContact O-CB 3.47Å; T569-K573 PolarHBondContact O-N 3.3Å
570	D	88.7	Confident	88	Confident	42 Å²	42	65.4 Å²	65.4	23%	0.225	35%	0.353	C	S	.	.	H	α-helix	trans	-69.2	-44.5	179.5	-53	-56	0	0	0	110.9	L566 T567 V572 I574 M575	L566-D570 HydrophobicContact CD2-CB 3.72Å; T567-D570 WeakPolarHBondContact CA-OD2 3.45Å; T567-D570 VanDerWaalsContact CB-OD2 3.27Å; T567-D570 WeakPolarHBondContact CB-OD2 3.48Å; T567-D570 WeakPolarHBondContact CG2-OD2 3.33Å; T567-D570 PolarHBondContact N-OD2 3.48Å; T567-D570 PolarHBondContact O-N 3.46Å; T567-D570 VanDerWaalsContact O-N 3.15Å; T567-D570 PolarHBondContact OG1-N 3.27Å; T567-D570 PolarHBondContact OG1-OD2 2.82Å; D570-V572 VanDerWaalsContact C-N 3.29Å; D570-V572 PolarHBondContact O-N 3.45Å; D570-I574 HydrophobicContact CB-CD1 4.05Å; D570-I574 WeakPolarHBondContact O-CA 3.13Å; D570-I574 VanDerWaalsContact O-CB 3.28Å; D570-I574 WeakPolarHBondContact O-CB 3.37Å; D570-I574 PolarHBondContact O-N 3.44Å; D570-I574 WeakPolarHBondContact OD1-CD1 3.22Å; D570-M575 PolarHBondContact O-N 2.9Å
571	I	91.3	Very high	87.7	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-61.1	-40.3	177.5	-59.1	163.1	0	0	0	110.3	L566 T567 M575 I577 A582 I585 I589	L566-I571 HydrophobicContact CB-CD1 4.39Å; L566-I571 HydrophobicContact CB-CG1 4.26Å; L566-I571 HydrophobicContact CD1-CG1 4.4Å; T567-I571 WeakPolarHBondContact O-CG1 3.43Å; T567-I571 PolarHBondContact O-N 3.3Å; I571-M575 HydrophobicContact CG1-SD 4.42Å; I571-I577 HydrophobicContact CG2-CB 3.97Å; I571-I577 HydrophobicContact CG2-CD1 3.96Å; I571-I577 HydrophobicContact CG2-CG2 4.18Å; I571-I577 WeakPolarHBondContact O-CB 3.17Å; I571-I577 PolarHBondContact O-N 2.76Å; I571-A582 HydrophobicContact CB-CB 4.19Å; I571-A582 HydrophobicContact CG2-CB 3.58Å; I571-I585 HydrophobicContact CD1-CB 4.23Å; I571-I585 HydrophobicContact CD1-CG2 3.88Å; I571-I585 HydrophobicContact CG2-CD1 4.5Å; I571-I589 HydrophobicContact CD1-CD1 4.03Å
572	V	83.7	Confident	87.6	Confident	46 Å²	46	60.3 Å²	60.3	28%	0.279	33%	0.331	S	S	.	.	H	α-helix	trans	-77.5	-49.1	178.5	175.7	0	0	0	0	113.4	Q568 T569 D570 S576 I577 L579 A582	Q568-V572 WeakPolarHBondContact O-CG2 3.47Å; Q568-V572 PolarHBondContact O-N 2.92Å; T569-V572 PolarHBondContact O-N 3.25Å; D570-V572 VanDerWaalsContact C-N 3.29Å; D570-V572 PolarHBondContact O-N 3.45Å; V572-S576 WeakPolarHBondContact O-CA 3.27Å; V572-I577 WeakPolarHBondContact CA-O 3.35Å; V572-L579 HydrophobicContact CG2-CD1 4.19Å; V572-A582 HydrophobicContact CG2-CB 3.42Å; V572-A582 VanDerWaalsContact CG2-CB 3.42Å
573	K	79.5	Confident	87.2	Confident	165 Å²	165	62 Å²	62	72%	0.717	34%	0.336	S	S	*	.	H	α-helix	trans	-92.4	-32.3	-168.8	-62.2	-171.1	-178.1	179.6	0	114.1	T569	T569-K573 HydrophobicContact CG2-CD 3.8Å; T569-K573 HydrophobicContact CG2-CG 4.24Å; T569-K573 VanDerWaalsContact O-CB 3.28Å; T569-K573 WeakPolarHBondContact O-CB 3.47Å; T569-K573 PolarHBondContact O-N 3.3Å
574	I	82.2	Confident	86.7	Confident	116 Å²	116	65.8 Å²	65.8	60%	0.595	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-56.8	-178.4	-52.7	178.6	0	0	0	109.1	D570 S576	D570-I574 HydrophobicContact CB-CD1 4.05Å; D570-I574 WeakPolarHBondContact O-CA 3.13Å; D570-I574 VanDerWaalsContact O-CB 3.28Å; D570-I574 WeakPolarHBondContact O-CB 3.37Å; D570-I574 PolarHBondContact O-N 3.44Å; D570-I574 WeakPolarHBondContact OD1-CD1 3.22Å; I574-S576 PolarHBondContact O-N 2.77Å
575	M	85.6	Confident	86.6	Confident	20 Å²	20	64.9 Å²	64.9	10%	0.099	35%	0.347	C	S	.	.	S	Bend	trans	-74.7	-2.7	178.5	-49.6	-175.5	80.7	0	0	113.4	L552 F553 I558 L566 D570 I571 I577	L552-M575 HydrophobicContact CB-CE 4.38Å; F553-M575 HydrophobicContact CD1-CE 4Å; F553-M575 HydrophobicContact CD2-CE 3.69Å; F553-M575 HydrophobicContact CE1-CE 4.01Å; F553-M575 HydrophobicContact CE1-SD 4.03Å; F553-M575 HydrophobicContact CE2-CE 3.69Å; F553-M575 HydrophobicContact CE2-SD 3.96Å; F553-M575 HydrophobicContact CG-CE 3.83Å; F553-M575 HydrophobicContact CZ-CE 3.84Å; F553-M575 HydrophobicContact CZ-SD 3.65Å; I558-M575 HydrophobicContact CG1-CE 4.02Å; L566-M575 HydrophobicContact CD1-SD 4.03Å; L566-M575 HydrophobicContact CD2-SD 4.5Å; D570-M575 PolarHBondContact O-N 2.9Å; I571-M575 HydrophobicContact CG1-SD 4.42Å; M575-I577 HydrophobicContact CB-CD1 3.92Å; M575-I577 HydrophobicContact CB-CG1 4.15Å; M575-I577 PolarHBondContact O-N 3.44Å; M575-I577 VanDerWaalsContact O-N 3.14Å; M575-I577 HydrophobicContact SD-CD1 4.43Å
576	S	87.8	Confident	86.5	Confident	100 Å²	100	58.8 Å²	58.8	70%	0.699	32%	0.316	S	S	*	.			trans	56.8	24.4	179.8	-59.9	0	0	0	0	114.9	V572 I574	V572-S576 WeakPolarHBondContact O-CA 3.27Å; I574-S576 PolarHBondContact O-N 2.77Å
577	I	88.9	Confident	86.2	Confident	6 Å²	6	60.4 Å²	60.4	3%	0.031	33%	0.325	C	S	.	.			trans	-82.2	135.9	-177.9	-67.7	166.6	0	0	0	110.2	Q549 L552 F553 I571 V572 M575 P581 A582	Q549-I577 HydrophobicContact CB-CD1 4.09Å; Q549-I577 HydrophobicContact CB-CG1 4.41Å; Q549-I577 HydrophobicContact CG-CD1 4.29Å; Q549-I577 HydrophobicContact CG-CG1 4.08Å; Q549-I577 HydrophobicContact CG-CG2 3.73Å; L552-I577 HydrophobicContact CD1-CD1 3.96Å; L552-I577 HydrophobicContact CD1-CG1 3.64Å; F553-I577 HydrophobicContact CD2-CD1 4.44Å; F553-I577 HydrophobicContact CE2-CD1 3.67Å; F553-I577 HydrophobicContact CZ-CD1 4.49Å; I571-I577 HydrophobicContact CG2-CB 3.97Å; I571-I577 HydrophobicContact CG2-CD1 3.96Å; I571-I577 HydrophobicContact CG2-CG2 4.18Å; I571-I577 WeakPolarHBondContact O-CB 3.17Å; I571-I577 PolarHBondContact O-N 2.76Å; V572-I577 WeakPolarHBondContact CA-O 3.35Å; M575-I577 HydrophobicContact CB-CD1 3.92Å; M575-I577 HydrophobicContact CB-CG1 4.15Å; M575-I577 PolarHBondContact O-N 3.44Å; M575-I577 VanDerWaalsContact O-N 3.14Å; M575-I577 HydrophobicContact SD-CD1 4.43Å; I577-P581 HydrophobicContact CG2-CB 3.85Å; I577-A582 HydrophobicContact CG2-CB 4.2Å
578	K	87.6	Confident	86.1	Confident	174 Å²	174	57.2 Å²	57.2	76%	0.757	31%	0.305	S	S	*	.			trans	-59.7	145.9	179.2	-64.9	177.9	-176.8	172.4	0	111.2	G580 P581 A582	K578-G580 PolarHBondContact O-N 3.07Å; K578-P581 VanDerWaalsContact O-CD 3.26Å; K578-P581 WeakPolarHBondContact O-CD 3.39Å; K578-A582 WeakPolarHBondContact O-CB 3.43Å; K578-A582 PolarHBondContact O-N 2.73Å
579	L	80.1	Confident	86.1	Confident	97 Å²	97	53.9 Å²	53.9	51%	0.508	29%	0.29	S	S	.	.	H	α-helix	trans	-49.9	-37.9	-175	-175.5	62	0	0	0	114.5	Q568 V572 A582 L583	Q568-L579 VanDerWaalsContact NE2-CD1 3.29Å; V572-L579 HydrophobicContact CG2-CD1 4.19Å; L579-A582 PolarHBondContact O-N 2.77Å; L579-L583 HydrophobicContact CD1-CD1 4.29Å; L579-L583 HydrophobicContact CD1-CG 4.27Å; L579-L583 HydrophobicContact CG-CD1 4.07Å; L579-L583 WeakPolarHBondContact O-CB 3.09Å; L579-L583 WeakPolarHBondContact O-CG 3.31Å; L579-L583 PolarHBondContact O-N 2.85Å
580	G	82.8	Confident	86	Confident	41 Å²	41	54.3 Å²	54.3	42%	0.423	29%	0.289	S	S	.	.	H	α-helix	trans	-61.5	-61.2	179.9	0	0	0	0	0	113.9	K578 A582 L583	K578-G580 PolarHBondContact O-N 3.07Å; G580-A582 VanDerWaalsContact C-N 3.32Å; G580-A582 PolarHBondContact O-N 3.13Å; G580-L583 PolarHBondContact O-N 2.87Å
581	P	87.1	Confident	85.5	Confident	24 Å²	24	53.2 Å²	53.2	16%	0.156	28%	0.283	C	S	.	.	H	α-helix	trans	-57.5	-39.8	170.1	-28.5	35.4	0	0	0	113.6	Q549 I577 K578 L583 K584 I585	Q549-P581 HydrophobicContact CG-CB 4.11Å; I577-P581 HydrophobicContact CG2-CB 3.85Å; K578-P581 VanDerWaalsContact O-CD 3.26Å; K578-P581 WeakPolarHBondContact O-CD 3.39Å; P581-L583 VanDerWaalsContact C-N 3.34Å; P581-L583 PolarHBondContact O-N 3.5Å; P581-K584 WeakPolarHBondContact O-CB 3.2Å; P581-K584 PolarHBondContact O-N 3.27Å; P581-K584 VanDerWaalsContact O-N 3.09Å; P581-I585 WeakPolarHBondContact O-CG1 3.42Å; P581-I585 PolarHBondContact O-N 3.2Å; P581-I585 VanDerWaalsContact O-N 3.15Å
582	A	89.2	Confident	85.2	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-60.7	-40.5	-179.6	0	0	0	0	0	113.1	I571 V572 I577 K578 L579 G580 K584 I585 S586	I571-A582 HydrophobicContact CB-CB 4.19Å; I571-A582 HydrophobicContact CG2-CB 3.58Å; V572-A582 HydrophobicContact CG2-CB 3.42Å; V572-A582 VanDerWaalsContact CG2-CB 3.42Å; I577-A582 HydrophobicContact CG2-CB 4.2Å; K578-A582 WeakPolarHBondContact O-CB 3.43Å; K578-A582 PolarHBondContact O-N 2.73Å; L579-A582 PolarHBondContact O-N 2.77Å; G580-A582 VanDerWaalsContact C-N 3.32Å; G580-A582 PolarHBondContact O-N 3.13Å; A582-K584 VanDerWaalsContact C-N 3.34Å; A582-K584 PolarHBondContact O-N 3.19Å; A582-I585 PolarHBondContact O-N 2.97Å; A582-S586 VanDerWaalsContact O-CB 3.3Å; A582-S586 WeakPolarHBondContact O-CB 3.34Å; A582-S586 PolarHBondContact O-N 3.22Å
583	L	83.9	Confident	84.9	Confident	68 Å²	68	55.3 Å²	55.3	36%	0.356	29%	0.288	S	S	.	.	H	α-helix	trans	-59.5	-40.9	173.2	-83.3	163.8	0	0	0	112.4	Q568 L579 G580 P581 N587	Q568-L583 VanDerWaalsContact NE2-CD2 3.28Å; L579-L583 HydrophobicContact CD1-CD1 4.29Å; L579-L583 HydrophobicContact CD1-CG 4.27Å; L579-L583 HydrophobicContact CG-CD1 4.07Å; L579-L583 WeakPolarHBondContact O-CB 3.09Å; L579-L583 WeakPolarHBondContact O-CG 3.31Å; L579-L583 PolarHBondContact O-N 2.85Å; G580-L583 PolarHBondContact O-N 2.87Å; P581-L583 VanDerWaalsContact C-N 3.34Å; P581-L583 PolarHBondContact O-N 3.5Å; L583-N587 VanDerWaalsContact O-CB 3.24Å; L583-N587 WeakPolarHBondContact O-CB 3.48Å; L583-N587 PolarHBondContact O-N 2.82Å; L583-N587 PolarHBondContact O-ND2 3.12Å; L583-N587 PolarHBondContact O-OD1 3.12Å
584	K	84.6	Confident	84.4	Confident	79 Å²	79	50.9 Å²	50.9	34%	0.343	28%	0.275	S	S	.	.	H	α-helix	trans	-64.8	-45.4	179.4	-62	176.5	-174.9	173.6	0	111.7	I544 P581 A582 N587 A588	I544-K584 WeakPolarHBondContact O-CD 3.49Å; I544-K584 PolarHBondContact O-NZ 3.31Å; P581-K584 WeakPolarHBondContact O-CB 3.2Å; P581-K584 PolarHBondContact O-N 3.27Å; P581-K584 VanDerWaalsContact O-N 3.09Å; A582-K584 VanDerWaalsContact C-N 3.34Å; A582-K584 PolarHBondContact O-N 3.19Å; K584-N587 PolarHBondContact O-N 2.87Å; K584-A588 PolarHBondContact O-N 3.48Å; K584-A588 VanDerWaalsContact O-N 3.11Å
585	I	89.1	Confident	83.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-67.1	-47.1	179.5	-59.4	163	0	0	0	110	V540 L543 F553 I571 P581 A582 N587 A588 I589	V540-I585 HydrophobicContact CG1-CD1 3.85Å; V540-I585 HydrophobicContact CG1-CG1 4.23Å; L543-I585 HydrophobicContact CD1-CG1 3.91Å; F553-I585 HydrophobicContact CE1-CG2 4.34Å; F553-I585 HydrophobicContact CE2-CD1 3.86Å; F553-I585 HydrophobicContact CZ-CD1 4.06Å; F553-I585 HydrophobicContact CZ-CG2 3.87Å; I571-I585 HydrophobicContact CD1-CB 4.23Å; I571-I585 HydrophobicContact CD1-CG2 3.88Å; I571-I585 HydrophobicContact CG2-CD1 4.5Å; P581-I585 WeakPolarHBondContact O-CG1 3.42Å; P581-I585 PolarHBondContact O-N 3.2Å; P581-I585 VanDerWaalsContact O-N 3.15Å; A582-I585 PolarHBondContact O-N 2.97Å; I585-N587 VanDerWaalsContact C-N 3.33Å; I585-N587 PolarHBondContact O-N 3.03Å; I585-A588 PolarHBondContact O-N 3.32Å; I585-A588 VanDerWaalsContact O-N 3.16Å; I585-I589 HydrophobicContact CG2-CD1 4.02Å; I585-I589 WeakPolarHBondContact O-CG1 3.03Å; I585-I589 PolarHBondContact O-N 2.93Å
586	S	89	Confident	81.9	Confident	12 Å²	12	49 Å²	49	8%	0.084	27%	0.268	C	S	.	.	H	α-helix	trans	-60.6	-39.4	176.7	-168.7	0	0	0	0	112.7	Q568 A582 A588 I589 L590	Q568-S586 PolarHBondContact N-OG 3.17Å; A582-S586 VanDerWaalsContact O-CB 3.3Å; A582-S586 WeakPolarHBondContact O-CB 3.34Å; A582-S586 PolarHBondContact O-N 3.22Å; S586-A588 VanDerWaalsContact C-N 3.34Å; S586-I589 PolarHBondContact O-N 3.47Å; S586-L590 WeakPolarHBondContact O-CG 3.27Å; S586-L590 PolarHBondContact O-N 3.1Å
587	N	85.2	Confident	80.2	Confident	62 Å²	62	50.7 Å²	50.7	33%	0.332	27%	0.265	S	S	.	.	H	α-helix	trans	-67.6	-34.7	177	-72.5	-4.7	0	0	0	111.9	L583 K584 I585 L590 M591	L583-N587 VanDerWaalsContact O-CB 3.24Å; L583-N587 WeakPolarHBondContact O-CB 3.48Å; L583-N587 PolarHBondContact O-N 2.82Å; L583-N587 PolarHBondContact O-ND2 3.12Å; L583-N587 PolarHBondContact O-OD1 3.12Å; K584-N587 PolarHBondContact O-N 2.87Å; I585-N587 VanDerWaalsContact C-N 3.33Å; I585-N587 PolarHBondContact O-N 3.03Å; N587-L590 PolarHBondContact O-N 3.25Å; N587-M591 WeakPolarHBondContact O-CG 3.39Å; N587-M591 PolarHBondContact O-N 2.99Å
588	A	86.9	Confident	78.2	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-69	-38	172.8	0	0	0	0	0	112.9	V520 F539 K584 I585 S586 L590 M591 F592	V520-A588 HydrophobicContact CG2-CB 4.17Å; F539-A588 HydrophobicContact CE1-CB 4.05Å; F539-A588 HydrophobicContact CZ-CB 3.67Å; K584-A588 PolarHBondContact O-N 3.48Å; K584-A588 VanDerWaalsContact O-N 3.11Å; I585-A588 PolarHBondContact O-N 3.32Å; I585-A588 VanDerWaalsContact O-N 3.16Å; S586-A588 VanDerWaalsContact C-N 3.34Å; A588-L590 VanDerWaalsContact C-N 3.29Å; A588-L590 PolarHBondContact O-N 3.47Å; A588-M591 WeakPolarHBondContact O-CB 3.46Å; A588-M591 PolarHBondContact O-N 3.31Å; A588-F592 HydrophobicContact CB-CE2 4.5Å; A588-F592 WeakPolarHBondContact O-CD2 3.29Å; A588-F592 WeakPolarHBondContact O-CG 3.14Å; A588-F592 PolarHBondContact O-N 3.21Å; A588-F592 VanDerWaalsContact O-N 3.09Å
589	I	88.8	Confident	76.1	Confident	3 Å²	3	52.2 Å²	52.2	2%	0.015	30%	0.296	C	S	.	.	H	α-helix	trans	-61.4	-40.3	173	-66	160.4	0	0	0	110.7	L563 L566 I571 I585 S586 K593	L563-I589 HydrophobicContact CD1-CD1 3.96Å; L563-I589 HydrophobicContact CD1-CG1 4.11Å; L563-I589 HydrophobicContact CG-CD1 4.49Å; L563-I589 HydrophobicContact CG-CG1 4.22Å; L563-I589 VanDerWaalsContact O-CD1 3.29Å; L563-I589 WeakPolarHBondContact O-CD1 3.42Å; L563-I589 WeakPolarHBondContact O-CG1 3.35Å; L566-I589 HydrophobicContact CB-CD1 4.15Å; I571-I589 HydrophobicContact CD1-CD1 4.03Å; I585-I589 HydrophobicContact CG2-CD1 4.02Å; I585-I589 WeakPolarHBondContact O-CG1 3.03Å; I585-I589 PolarHBondContact O-N 2.93Å; S586-I589 PolarHBondContact O-N 3.47Å; I589-K593 HydrophobicContact CG2-CD 4.46Å; I589-K593 WeakPolarHBondContact O-CG 3.38Å; I589-K593 PolarHBondContact O-N 2.81Å
590	L	83.1	Confident	73.9	Confident	85 Å²	85	58 Å²	58	45%	0.445	32%	0.318	S	S	.	.	H	α-helix	trans	-64.3	-44.1	173.4	-70.2	169.3	0	0	0	112	S586 N587 A588 F592 K593 T594	S586-L590 WeakPolarHBondContact O-CG 3.27Å; S586-L590 PolarHBondContact O-N 3.1Å; N587-L590 PolarHBondContact O-N 3.25Å; A588-L590 VanDerWaalsContact C-N 3.29Å; A588-L590 PolarHBondContact O-N 3.47Å; L590-F592 PolarHBondContact O-N 3.42Å; L590-K593 PolarHBondContact O-N 3.23Å; L590-T594 WeakPolarHBondContact O-CG2 3.24Å; L590-T594 PolarHBondContact O-N 3.3Å; L590-T594 PolarHBondContact O-OG1 3.25Å
591	M	79.6	Confident	73.4	Confident	20 Å²	20	58.9 Å²	58.9	10%	0.099	31%	0.312	C	S	.	.	H	α-helix	trans	-51.7	-54.8	174.8	-76.4	-70.9	-48.4	0	0	111.4	W510 L517 V520 N587 A588 K593 T594 T595	W510-M591 HydrophobicContact CD2-SD 4.41Å; W510-M591 HydrophobicContact CH2-CG 4.36Å; W510-M591 HydrophobicContact CH2-SD 3.63Å; W510-M591 HydrophobicContact CZ2-CE 4.43Å; W510-M591 HydrophobicContact CZ2-CG 4.37Å; W510-M591 HydrophobicContact CZ2-SD 3.2Å; W510-M591 WeakPolarHBondContact CZ2-SD 3.17Å; W510-M591 HydrophobicContact CZ3-SD 4.37Å; L517-M591 HydrophobicContact CD1-CG 4.5Å; V520-M591 HydrophobicContact CG1-CB 3.42Å; V520-M591 VanDerWaalsContact CG1-CB 3.42Å; V520-M591 HydrophobicContact CG1-CE 4.27Å; V520-M591 HydrophobicContact CG1-CG 3.77Å; N587-M591 WeakPolarHBondContact O-CG 3.39Å; N587-M591 PolarHBondContact O-N 2.99Å; A588-M591 WeakPolarHBondContact O-CB 3.46Å; A588-M591 PolarHBondContact O-N 3.31Å; M591-K593 VanDerWaalsContact C-N 3.25Å; M591-K593 PolarHBondContact O-N 2.92Å; M591-T594 PolarHBondContact O-N 2.71Å; M591-T594 PolarHBondContact O-OG1 3.03Å; M591-T595 PolarHBondContact O-N 3.35Å; M591-T595 PolarHBondContact O-OG1 3Å; M591-T595 VanDerWaalsContact O-OG1 3.06Å
592	F	84.9	Confident	72.7	Confident	0 Å²	0	60.7 Å²	60.7	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-57.9	-36	-177.7	-60	-45.5	0	0	0	113.4	V520 I523 A525 V528 W531 F539 L564 A588 L590 T595	V520-F592 HydrophobicContact CB-CE1 4.42Å; V520-F592 HydrophobicContact CG1-CD1 4.24Å; V520-F592 HydrophobicContact CG1-CE1 3.87Å; V520-F592 HydrophobicContact CG1-CZ 4.42Å; V520-F592 HydrophobicContact CG2-CZ 4.43Å; I523-F592 HydrophobicContact CB-CD1 4.13Å; I523-F592 HydrophobicContact CB-CE1 3.96Å; I523-F592 HydrophobicContact CG2-CD1 4.36Å; I523-F592 HydrophobicContact CG2-CE1 4.24Å; A525-F592 WeakPolarHBondContact CB-O 3.39Å; A525-F592 PolarHBondContact N-O 3.04Å; A525-F592 VanDerWaalsContact N-O 3.15Å; V528-F592 HydrophobicContact CG1-CD2 4.2Å; V528-F592 HydrophobicContact CG1-CE2 4.43Å; V528-F592 HydrophobicContact CG2-CB 4.15Å; V528-F592 HydrophobicContact CG2-CD1 3.78Å; V528-F592 HydrophobicContact CG2-CD2 3.83Å; V528-F592 HydrophobicContact CG2-CE1 4.05Å; V528-F592 HydrophobicContact CG2-CE2 4.08Å; V528-F592 HydrophobicContact CG2-CG 3.68Å; V528-F592 HydrophobicContact CG2-CZ 4.19Å; W531-F592 HydrophobicContact CH2-CE1 4.39Å; W531-F592 HydrophobicContact CH2-CE2 4.29Å; W531-F592 AromaticContact CH2-CZ 3.77Å; W531-F592 HydrophobicContact CH2-CZ 3.77Å; W531-F592 HydrophobicContact CZ3-CE2 4.33Å; W531-F592 HydrophobicContact CZ3-CZ 4.23Å; F539-F592 HydrophobicContact CD1-CE2 4.49Å; F539-F592 HydrophobicContact CD2-CZ 4.31Å; F539-F592 AromaticContact CE1-CE2 3.9Å; F539-F592 HydrophobicContact CE1-CE2 3.9Å; F539-F592 HydrophobicContact CE1-CZ 4.03Å; F539-F592 HydrophobicContact CE2-CE2 4.45Å; F539-F592 AromaticContact CE2-CZ 3.75Å; F539-F592 HydrophobicContact CE2-CZ 3.75Å; F539-F592 AromaticContact CZ-CE2 3.91Å; F539-F592 HydrophobicContact CZ-CE2 3.91Å; F539-F592 AromaticContact CZ-CZ 3.61Å; F539-F592 HydrophobicContact CZ-CZ 3.61Å; L564-F592 HydrophobicContact CD2-CB 4.13Å; A588-F592 HydrophobicContact CB-CE2 4.5Å; A588-F592 WeakPolarHBondContact O-CD2 3.29Å; A588-F592 WeakPolarHBondContact O-CG 3.14Å; A588-F592 PolarHBondContact O-N 3.21Å; A588-F592 VanDerWaalsContact O-N 3.09Å; L590-F592 PolarHBondContact O-N 3.42Å; F592-T595 PolarHBondContact O-OG1 2.87Å
593	K	77.9	Confident	71.8	Confident	90 Å²	90	64.1 Å²	64.1	39%	0.391	34%	0.338	S	S	.	.	H	α-helix	trans	-69.7	-42.9	175	-69.1	172.7	-180	177.8	0	111.7	L564 I589 L590 M591 T595 D596	L564-K593 WeakPolarHBondContact O-CE 3.49Å; L564-K593 PolarHBondContact O-NZ 3.27Å; I589-K593 HydrophobicContact CG2-CD 4.46Å; I589-K593 WeakPolarHBondContact O-CG 3.38Å; I589-K593 PolarHBondContact O-N 2.81Å; L590-K593 PolarHBondContact O-N 3.23Å; M591-K593 VanDerWaalsContact C-N 3.25Å; M591-K593 PolarHBondContact O-N 2.92Å; K593-T595 VanDerWaalsContact C-N 3.26Å; K593-T595 PolarHBondContact O-N 3.34Å; K593-D596 PolarHBondContact O-N 3.41Å
594	T	67.7	Low	71.1	Confident	72 Å²	72	63.8 Å²	63.8	44%	0.442	34%	0.337	S	S	.	.	H	α-helix	trans	-66.8	-22.5	-179.7	56.1	0	0	0	0	114.1	L590 M591 D596	L590-T594 WeakPolarHBondContact O-CG2 3.24Å; L590-T594 PolarHBondContact O-N 3.3Å; L590-T594 PolarHBondContact O-OG1 3.25Å; M591-T594 PolarHBondContact O-N 2.71Å; M591-T594 PolarHBondContact O-OG1 3.03Å; T594-D596 PolarHBondContact O-N 3.12Å
595	T	60.8	Low	70.2	Confident	41 Å²	41	62.9 Å²	62.9	25%	0.252	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.5	176	-22	0	0	0	0	113.8	I523 H524 M591 F592 K593	I523-T595 PolarHBondContact O-OG1 3.49Å; I523-T595 VanDerWaalsContact O-OG1 3.09Å; H524-T595 PolarHBondContact CE1-O 3.15Å; H524-T595 PolarHBondContact ND1-O 3.33Å; M591-T595 PolarHBondContact O-N 3.35Å; M591-T595 PolarHBondContact O-OG1 3Å; M591-T595 VanDerWaalsContact O-OG1 3.06Å; F592-T595 PolarHBondContact O-OG1 2.87Å; K593-T595 VanDerWaalsContact C-N 3.26Å; K593-T595 PolarHBondContact O-N 3.34Å
596	D	54.4	Low	68.9	Low	55 Å²	55	67.1 Å²	67.1	29%	0.294	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-21.3	-176.7	-111.4	42.6	0	0	0	113.7	H524 K593 T594 G598	H524-D596 IonicContact CG-OD1 2.66Å; H524-D596 IonicContact ND1-OD1 3.15Å; H524-D596 PolarHBondContact ND1-OD1 2.66Å; K593-D596 PolarHBondContact O-N 3.41Å; T594-D596 PolarHBondContact O-N 3.12Å; D596-G598 VanDerWaalsContact C-N 3.33Å
597	E	51.7	Low	67.5	Low	136 Å²	136	71 Å²	71	64%	0.636	38%	0.379	S	S	*	.	G	3₁₀ helix	trans	-80.1	-13.3	179.7	-69.9	-68.3	99	0	0	113.1	L599 K600	E597-L599 VanDerWaalsContact C-N 3.31Å; E597-L599 PolarHBondContact O-N 2.98Å; E597-K600 IonicContact OE1-NZ 2.71Å; E597-K600 PolarHBondContact OE1-NZ 3.46Å
598	G	48	Very low	66.2	Low	68 Å²	68	71.7 Å²	71.7	70%	0.701	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-83.1	6.1	-178.9	0	0	0	0	0	116	D596	D596-G598 VanDerWaalsContact C-N 3.33Å
599	L	43.2	Very low	64.4	Low	143 Å²	143	77.7 Å²	77.7	75%	0.749	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-139.1	27.8	-169.3	-83.4	170.5	0	0	0	114.4	E597	E597-L599 VanDerWaalsContact C-N 3.31Å; E597-L599 PolarHBondContact O-N 2.98Å
600	K	33	Very low	62.2	Low	219 Å²	219	84.5 Å²	84.5	95%	0.952	45%	0.451	S	S	*	.			trans	-120.2	0	173.3	-68.6	171.7	-167.2	150.1	0	111.2	E597	E597-K600 IonicContact OE1-NZ 2.71Å; E597-K600 PolarHBondContact OE1-NZ 3.46Å

Retrieved 600 of 600 residues in 662.4 ms (Link to these results)

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