A0A3P9PWX0_POERE Loading...

Metallophosphoesterase domain containing 1

AlphaFold DB , UniProt , Accession A0A3P9PWX0, Species POERE (Poecilia reticulata, Guppy), Gene n/a, Length 311 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	48.8	Very low	45.4	Very low	249 Å²	249	115.1 Å²	115.1	100%	1.227	65%	0.652	S	S	*	*				0	106.9	0	-91.4	-159.2	-102.9	0	0	108.6
2	A	42.2	Very low	45.1	Very low	96 Å²	96	121.9 Å²	121.9	79%	0.793	66%	0.66	S	S	*	*			trans	170.2	93.7	153.7	0	0	0	0	0	105.8
3	F	39.8	Very low	44.5	Very low	166 Å²	166	128.2 Å²	128.2	73%	0.728	67%	0.668	S	S	*	*			trans	-74.3	140.7	171.7	-74	-79.1	0	0	0	108.9	E7	F3-E7 WeakPolarHBondContact CD1-OE2 3.43Å
4	T	54.9	Low	43.9	Very low	77 Å²	77	130.9 Å²	130.9	47%	0.472	68%	0.675	S	S	.	*			trans	-77.1	148.8	-177	55.8	0	0	0	0	110.6	S6 E7	T4-S6 PolarHBondContact O-N 3Å; T4-S6 PolarHBondContact OG1-OG 3.19Å; T4-E7 PolarHBondContact N-OE2 2.71Å; T4-E7 PolarHBondContact O-N 2.71Å; T4-E7 PolarHBondContact OG1-OE2 3.26Å
5	L	46.1	Very low	43.3	Very low	140 Å²	140	133.6 Å²	133.6	73%	0.733	68%	0.684	S	S	*	*	H	α-helix	trans	-54.5	-21.8	-178.7	-100.9	143.5	0	0	0	113.9	M9	L5-M9 WeakPolarHBondContact O-CG 3.27Å
6	S	46.8	Very low	42.8	Very low	85 Å²	85	130.8 Å²	130.8	59%	0.594	68%	0.68	S	S	*	*	H	α-helix	trans	-71.6	-32.2	174.1	40.5	0	0	0	0	113.8	T4 M9 A10	T4-S6 PolarHBondContact O-N 3Å; T4-S6 PolarHBondContact OG1-OG 3.19Å; S6-M9 PolarHBondContact O-N 3.29Å; S6-A10 PolarHBondContact O-N 3.46Å
7	E	46.5	Very low	42.5	Very low	100 Å²	100	133.2 Å²	133.2	47%	0.467	69%	0.687	S	S	.	*	H	α-helix	trans	-76.8	-30.9	-178.7	-67.1	166	134.8	0	0	111.5	F3 T4 M9 A10 A11	F3-E7 WeakPolarHBondContact CD1-OE2 3.43Å; T4-E7 PolarHBondContact N-OE2 2.71Å; T4-E7 PolarHBondContact O-N 2.71Å; T4-E7 PolarHBondContact OG1-OE2 3.26Å; E7-M9 VanDerWaalsContact C-N 3.35Å; E7-A10 PolarHBondContact O-N 2.81Å; E7-A11 PolarHBondContact O-N 2.63Å
8	I	48.4	Very low	42	Very low	99 Å²	99	130.3 Å²	130.3	51%	0.508	69%	0.686	S	S	.	*	H	α-helix	trans	-69.8	-32.2	174.5	-61.2	175.5	0	0	0	111.3
9	M	42.5	Very low	41.8	Very low	135 Å²	135	133.5 Å²	133.5	67%	0.665	70%	0.697	S	S	*	*	H	α-helix	trans	-78.8	-27.1	178.2	-66.8	-131.4	-164.6	0	0	113.4	L5 S6 E7	L5-M9 WeakPolarHBondContact O-CG 3.27Å; S6-M9 PolarHBondContact O-N 3.29Å; E7-M9 VanDerWaalsContact C-N 3.35Å
10	A	43.4	Very low	41.9	Very low	59 Å²	59	131.9 Å²	131.9	49%	0.488	70%	0.697	S	S	.	*	H	α-helix	trans	-72.1	-38	175.4	0	0	0	0	0	112.2	S6 E7 R12 R13 Q14	S6-A10 PolarHBondContact O-N 3.46Å; E7-A10 PolarHBondContact O-N 2.81Å; A10-R12 VanDerWaalsContact C-N 3.29Å; A10-R12 PolarHBondContact O-N 3.28Å; A10-R13 PolarHBondContact O-N 2.84Å; A10-Q14 PolarHBondContact O-N 3.03Å
11	A	39.7	Very low	41.6	Very low	60 Å²	60	133.9 Å²	133.9	50%	0.496	70%	0.703	S	S	.	*	H	α-helix	trans	-65.9	-28.5	176.6	0	0	0	0	0	113.3	E7	E7-A11 PolarHBondContact O-N 2.63Å
12	R	41.7	Very low	41.3	Very low	197 Å²	197	128.4 Å²	128.4	74%	0.743	68%	0.684	S	S	*	*	H	α-helix	trans	-79.1	-17.8	175.7	-78.9	-174	173.2	-169.7	-1.5	114.5	A10	A10-R12 VanDerWaalsContact C-N 3.29Å; A10-R12 PolarHBondContact O-N 3.28Å
13	R	37.9	Very low	40.9	Very low	204 Å²	204	132.1 Å²	132.1	77%	0.77	69%	0.685	S	S	*	*	H	α-helix	trans	-88.3	-18.6	175.6	-84.1	-173	179.5	-153.4	0.3	114	A10 S16	A10-R13 PolarHBondContact O-N 2.84Å; R13-S16 PolarHBondContact O-OG 3.43Å
14	Q	35.4	Very low	41	Very low	165 Å²	165	136.5 Å²	136.5	77%	0.771	70%	0.696	S	S	*	*	H	α-helix	trans	-90.9	-15.5	175.4	-75.8	-174.2	-21.1	0	0	113.8	A10	A10-Q14 PolarHBondContact O-N 3.03Å
15	Q	35.4	Very low	40.3	Very low	172 Å²	172	135.3 Å²	135.3	80%	0.804	70%	0.699	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-10.5	169.7	-88.3	-179.4	-18.6	0	0	114.2
16	S	35.5	Very low	40.3	Very low	89 Å²	89	134.3 Å²	134.3	62%	0.622	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.9	4.8	-179.9	62.9	0	0	0	0	115.1	R13	R13-S16 PolarHBondContact O-OG 3.43Å
17	Q	36.9	Very low	41.1	Very low	172 Å²	172	135.3 Å²	135.3	80%	0.804	69%	0.694	S	S	*	*	S	Bend	trans	-123.8	13.9	-178.8	-79.4	-171	-12.8	0	0	115.3
18	A	35.1	Very low	42.2	Very low	81 Å²	81	133.5 Å²	133.5	67%	0.669	70%	0.696	S	S	*	*	S	Bend	trans	-129.7	52.1	177.5	0	0	0	0	0	112.8
19	Q	38.2	Very low	44.1	Very low	190 Å²	190	133 Å²	133	89%	0.888	71%	0.707	S	S	*	*			trans	-144.4	61.7	162.6	-73.1	-169	-16.7	0	0	110.8
20	S	42.6	Very low	46.7	Very low	101 Å²	101	127.2 Å²	127.2	71%	0.706	68%	0.679	S	S	*	*			trans	-112.4	85.6	159.2	65.2	0	0	0	0	108
21	H	35.5	Very low	49.2	Very low	174 Å²	174	131.8 Å²	131.8	81%	0.806	69%	0.691	S	S	*	*	S	Bend	trans	179.2	116.3	140.6	-89.5	-36.6	0	0	0	110.2
22	T	42.8	Very low	52	Low	135 Å²	135	131.6 Å²	131.6	83%	0.828	68%	0.683	S	S	*	*			trans	47	80.1	153	54.4	0	0	0	0	117.7
23	Q	34.4	Very low	54.8	Low	174 Å²	174	122.9 Å²	122.9	81%	0.813	65%	0.651	S	S	*	*			trans	-118.7	114	144	-79.7	-176.6	-7.8	0	0	107.5	G25	Q23-G25 PolarHBondContact O-N 3.48Å
24	R	41.3	Very low	57.6	Low	258 Å²	258	121.1 Å²	121.1	97%	0.974	65%	0.652	S	S	*	*			trans	-63.5	91.8	153.5	-90.6	-178	172.2	-169.5	-2.4	104.8
25	G	40.4	Very low	60.6	Low	51 Å²	51	115 Å²	115	53%	0.526	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-54.8	144.7	178.5	0	0	0	0	0	110	Q23 R27	Q23-G25 PolarHBondContact O-N 3.48Å; G25-R27 PolarHBondContact O-N 3.43Å
26	S	46.3	Very low	63.6	Low	119 Å²	119	107 Å²	107	83%	0.832	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-49.6	116.8	169.4	59.8	0	0	0	0	108.3	A28	S26-A28 PolarHBondContact O-N 3.42Å; S26-A28 VanDerWaalsContact O-N 3.13Å
27	R	63.6	Low	66.5	Low	107 Å²	107	107.2 Å²	107.2	40%	0.404	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-60.5	120.5	179.2	-74.3	169.1	167	-151.4	3.8	107.5	G25 D222 R259 V260	G25-R27 PolarHBondContact O-N 3.43Å; R27-D222 VanDerWaalsContact CD-OD2 3.29Å; R27-D222 WeakPolarHBondContact CD-OD2 3.33Å; R27-D222 VanDerWaalsContact NH1-CB 3.29Å; R27-D222 PolarHBondContact NH1-O 3.09Å; R27-R259 HydrophobicContact CB-CG 4.24Å; R27-R259 VanDerWaalsContact CD-O 3.22Å; R27-R259 WeakPolarHBondContact CD-O 3.33Å; R27-R259 VanDerWaalsContact CZ-O 3.29Å; R27-R259 PolarHBondContact NE-O 3.08Å; R27-R259 PolarHBondContact NH1-O 2.61Å; R27-V260 PolarHBondContact NH1-O 3.15Å
28	A	69.9	Low	69.4	Low	61 Å²	61	103 Å²	103	50%	0.504	57%	0.565	S	S	.	*	P	Polyproline II helix	trans	-63.9	138.7	-170.9	0	0	0	0	0	110.4	S26 V30	S26-A28 PolarHBondContact O-N 3.42Å; S26-A28 VanDerWaalsContact O-N 3.13Å; A28-V30 PolarHBondContact O-N 3.21Å
29	A	87.8	Confident	72.4	Confident	89 Å²	89	99.8 Å²	99.8	74%	0.736	54%	0.538	S	S	*	.	P	Polyproline II helix	trans	-58.3	136.7	168.3	0	0	0	0	0	109.1
30	V	96.2	Very high	75.3	Confident	13 Å²	13	93 Å²	93	8%	0.079	51%	0.509	C	S	.	.	P	Polyproline II helix	trans	-89.9	132.3	175.7	179.3	0	0	0	0	107.9	A28 L214 N254 R259	A28-V30 PolarHBondContact O-N 3.21Å; V30-L214 HydrophobicContact CB-CD1 4.03Å; V30-L214 HydrophobicContact CG1-CD1 3.7Å; V30-N254 HydrophobicContact CG1-CB 3.72Å; V30-R259 HydrophobicContact CG2-CB 4.05Å
31	E	97.6	Very high	78	Confident	156 Å²	156	92.9 Å²	92.9	73%	0.729	50%	0.498	S	S	*	.			trans	-109.3	162.2	174.4	-63.4	179.8	171.5	0	0	109.8	D33	E31-D33 PolarHBondContact O-N 2.78Å
32	V	98.5	Very high	81	Confident	56 Å²	56	84.6 Å²	84.6	34%	0.339	46%	0.459	S	S	.	.			trans	-63	130.2	174.9	176.3	0	0	0	0	109.3	Q211 L214	V32-Q211 HydrophobicContact CG2-CB 4Å; V32-Q211 VanDerWaalsContact CG2-OE1 3.25Å; V32-L214 HydrophobicContact CG2-CB 4.44Å; V32-L214 HydrophobicContact CG2-CD2 3.66Å
33	D	98.4	Very high	83.6	Confident	13 Å²	13	79.9 Å²	79.9	7%	0.07	43%	0.427	C	S	.	.			trans	-74.8	141.6	-179.4	-159.6	-86.1	0	0	0	111.2	E31 Y35 S36 Y46 M250 E251 N254	E31-D33 PolarHBondContact O-N 2.78Å; D33-Y35 PolarHBondContact O-N 2.76Å; D33-Y35 VanDerWaalsContact O-N 3.12Å; D33-Y35 PolarHBondContact OD1-N 2.83Å; D33-S36 WeakPolarHBondContact O-CB 3.47Å; D33-S36 PolarHBondContact O-N 3.31Å; D33-Y46 WeakPolarHBondContact OD2-CE2 3.49Å; D33-Y46 VanDerWaalsContact OD2-CZ 3.3Å; D33-Y46 PolarHBondContact OD2-OH 2.81Å; D33-M250 HydrophobicContact CB-CB 4.49Å; D33-M250 HydrophobicContact CB-CE 4.21Å; D33-M250 HydrophobicContact CB-CG 3.49Å; D33-M250 VanDerWaalsContact CB-CG 3.49Å; D33-M250 VanDerWaalsContact CG-CE 3.48Å; D33-M250 WeakPolarHBondContact OD2-CE 3.45Å; D33-E251 WeakPolarHBondContact CB-OE1 3.47Å; D33-E251 PolarHBondContact N-OE1 2.71Å; D33-N254 PolarHBondContact OD2-ND2 3.38Å
34	E	98.1	Very high	86.7	Confident	167 Å²	167	74.8 Å²	74.8	78%	0.78	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-31.5	175.4	-174.1	-178.8	-177.8	0	0	111.9
35	Y	97.8	Very high	89.4	Confident	37 Å²	37	65.8 Å²	65.8	15%	0.145	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.7	13.7	178.8	-58.5	-80.8	0	0	0	113.7	D33 T37 N38 Q41 A42 F45 Y46	D33-Y35 PolarHBondContact O-N 2.76Å; D33-Y35 VanDerWaalsContact O-N 3.12Å; D33-Y35 PolarHBondContact OD1-N 2.83Å; Y35-T37 PolarHBondContact O-N 2.9Å; Y35-T37 VanDerWaalsContact O-N 3.12Å; Y35-N38 CarbonylContact O-C 3.37Å; Y35-N38 PolarHBondContact O-N 3.14Å; Y35-Q41 HydrophobicContact CD1-CB 4.36Å; Y35-Q41 HydrophobicContact CD1-CG 3.76Å; Y35-Q41 HydrophobicContact CE1-CG 3.93Å; Y35-A42 VanDerWaalsContact CB-CB 3.47Å; Y35-A42 HydrophobicContact CG-CB 4.42Å; Y35-F45 HydrophobicContact CD2-CB 4.46Å; Y35-F45 HydrophobicContact CD2-CD1 4.06Å; Y35-F45 HydrophobicContact CD2-CG 4.2Å; Y35-F45 HydrophobicContact CE2-CB 4.14Å; Y35-F45 AromaticContact CE2-CD1 3.55Å; Y35-F45 HydrophobicContact CE2-CD1 3.55Å; Y35-F45 AromaticContact CE2-CD2 3.78Å; Y35-F45 HydrophobicContact CE2-CD2 3.78Å; Y35-F45 AromaticContact CE2-CE1 3.81Å; Y35-F45 HydrophobicContact CE2-CE1 3.81Å; Y35-F45 HydrophobicContact CE2-CE2 4.03Å; Y35-F45 AromaticContact CE2-CG 3.54Å; Y35-F45 HydrophobicContact CE2-CG 3.54Å; Y35-F45 HydrophobicContact CE2-CZ 4.04Å; Y35-F45 AromaticContact CZ-CD2 3.66Å; Y35-F45 AromaticContact CZ-CG 3.79Å; Y35-F45 VanDerWaalsContact OH-CD2 3.26Å; Y35-F45 WeakPolarHBondContact OH-CD2 3.46Å; Y35-F45 WeakPolarHBondContact OH-CE2 3.42Å; Y35-Y46 HydrophobicContact CD2-CE2 4.49Å
36	S	97.7	Very high	92.2	Very high	4 Å²	4	64.4 Å²	64.4	3%	0.028	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50	-42.2	-174.9	177.3	0	0	0	0	113.4	D33 N38 R209 G210 E251	D33-S36 WeakPolarHBondContact O-CB 3.47Å; D33-S36 PolarHBondContact O-N 3.31Å; S36-N38 VanDerWaalsContact C-N 3.33Å; S36-N38 PolarHBondContact O-N 2.78Å; S36-R209 WeakPolarHBondContact O-CD 3.38Å; S36-G210 WeakPolarHBondContact OG-CA 3.33Å; S36-G210 PolarHBondContact OG-N 2.97Å; S36-E251 WeakPolarHBondContact CB-OE1 3.45Å; S36-E251 PolarHBondContact OG-OE1 3.28Å; S36-E251 VanDerWaalsContact OG-OE1 3.11Å; S36-E251 PolarHBondContact OG-OE2 3.04Å
37	T	97.4	Very high	94.6	Very high	93 Å²	93	60.2 Å²	60.2	57%	0.571	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-13.2	-178	55.3	0	0	0	0	114	Y35 P39	Y35-T37 PolarHBondContact O-N 2.9Å; Y35-T37 VanDerWaalsContact O-N 3.12Å; T37-P39 WeakPolarHBondContact O-CD 3.38Å
38	N	98	Very high	96.2	Very high	84 Å²	84	61.2 Å²	61.2	45%	0.449	34%	0.335	S	S	.	.			trans	-124.9	72.7	-176.7	-70	-49.6	0	0	0	111.2	Y35 S36 T40 Q41 A42	Y35-N38 CarbonylContact O-C 3.37Å; Y35-N38 PolarHBondContact O-N 3.14Å; S36-N38 VanDerWaalsContact C-N 3.33Å; S36-N38 PolarHBondContact O-N 2.78Å; N38-T40 VanDerWaalsContact C-N 3.34Å; N38-T40 PolarHBondContact O-N 3.09Å; N38-Q41 HydrophobicContact CB-CB 3.91Å; N38-Q41 WeakPolarHBondContact O-CB 3.49Å; N38-Q41 PolarHBondContact O-N 2.86Å; N38-A42 PolarHBondContact O-N 2.88Å
39	P	98.3	Very high	97.6	Very high	13 Å²	13	63.1 Å²	63.1	8%	0.084	34%	0.337	C	S	.	.	H	α-helix	trans	-55	-40.5	-173.6	20.4	-34.5	0	0	0	114.3	T37 Q41 A42 F43 L234 R246	T37-P39 WeakPolarHBondContact O-CD 3.38Å; P39-Q41 VanDerWaalsContact C-N 3.33Å; P39-Q41 PolarHBondContact O-N 2.98Å; P39-A42 WeakPolarHBondContact O-CB 3.38Å; P39-A42 PolarHBondContact O-N 2.87Å; P39-F43 WeakPolarHBondContact O-CB 3.28Å; P39-F43 PolarHBondContact O-N 2.88Å; P39-L234 HydrophobicContact CB-CD1 3.6Å; P39-L234 VanDerWaalsContact O-CD1 3.27Å; P39-L234 WeakPolarHBondContact O-CD1 3.49Å; P39-R246 HydrophobicContact CB-CB 4.22Å; P39-R246 WeakPolarHBondContact CG-O 3.47Å
40	T	98.6	Very high	98	Very high	47 Å²	47	64.2 Å²	64.2	29%	0.288	33%	0.327	S	S	.	.	H	α-helix	trans	-64.4	-38	177.5	-52	0	0	0	0	112.4	N38 T44 Q245 R246	N38-T40 VanDerWaalsContact C-N 3.34Å; N38-T40 PolarHBondContact O-N 3.09Å; T40-T44 PolarHBondContact O-N 2.67Å; T40-T44 VanDerWaalsContact O-N 3.07Å; T40-T44 PolarHBondContact O-OG1 2.97Å; T40-Q245 WeakPolarHBondContact OG1-CA 3.34Å; T40-Q245 WeakPolarHBondContact OG1-CB 3.48Å; T40-R246 PolarHBondContact OG1-N 3.21Å
41	Q	98.4	Very high	98	Very high	100 Å²	100	65.1 Å²	65.1	47%	0.467	34%	0.339	S	S	.	.	H	α-helix	trans	-70.9	-43.1	176	-171.8	179.6	6.8	0	0	110.7	Y35 N38 P39 F43 T44 F45	Y35-Q41 HydrophobicContact CD1-CB 4.36Å; Y35-Q41 HydrophobicContact CD1-CG 3.76Å; Y35-Q41 HydrophobicContact CE1-CG 3.93Å; N38-Q41 HydrophobicContact CB-CB 3.91Å; N38-Q41 WeakPolarHBondContact O-CB 3.49Å; N38-Q41 PolarHBondContact O-N 2.86Å; P39-Q41 VanDerWaalsContact C-N 3.33Å; P39-Q41 PolarHBondContact O-N 2.98Å; Q41-F43 VanDerWaalsContact C-N 3.33Å; Q41-F43 PolarHBondContact O-N 2.78Å; Q41-T44 PolarHBondContact O-N 3.03Å; Q41-F45 WeakPolarHBondContact O-CB 2.88Å; Q41-F45 PolarHBondContact O-N 3.46Å
42	A	98.6	Very high	98	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-54	-51.1	172.7	0	0	0	0	0	110.5	Y35 N38 P39 T44 F45 Y46 L234 M250	Y35-A42 VanDerWaalsContact CB-CB 3.47Å; Y35-A42 HydrophobicContact CG-CB 4.42Å; N38-A42 PolarHBondContact O-N 2.88Å; P39-A42 WeakPolarHBondContact O-CB 3.38Å; P39-A42 PolarHBondContact O-N 2.87Å; A42-T44 VanDerWaalsContact C-N 3.31Å; A42-T44 PolarHBondContact O-N 2.95Å; A42-F45 PolarHBondContact O-N 3.32Å; A42-Y46 WeakPolarHBondContact O-CB 3.24Å; A42-Y46 VanDerWaalsContact O-CD2 3.24Å; A42-Y46 WeakPolarHBondContact O-CD2 3.47Å; A42-Y46 PolarHBondContact O-N 2.99Å; A42-L234 HydrophobicContact CB-CD2 3.54Å; A42-M250 HydrophobicContact CB-SD 4.37Å
43	F	98.7	Very high	98	Very high	35 Å²	35	57.2 Å²	57.2	15%	0.154	30%	0.297	C	S	.	.	H	α-helix	trans	-53.7	-51.3	177.4	179.3	-90.3	0	0	0	110.6	P39 Q41 N47 F53 L234 R246	P39-F43 WeakPolarHBondContact O-CB 3.28Å; P39-F43 PolarHBondContact O-N 2.88Å; Q41-F43 VanDerWaalsContact C-N 3.33Å; Q41-F43 PolarHBondContact O-N 2.78Å; F43-N47 WeakPolarHBondContact O-CB 3.21Å; F43-N47 PolarHBondContact O-N 3.22Å; F43-F53 HydrophobicContact CB-CE2 4.39Å; F43-F53 HydrophobicContact CD2-CD1 4.06Å; F43-F53 AromaticContact CD2-CD2 3.53Å; F43-F53 HydrophobicContact CD2-CD2 3.53Å; F43-F53 HydrophobicContact CD2-CE1 4.08Å; F43-F53 AromaticContact CD2-CE2 3.56Å; F43-F53 HydrophobicContact CD2-CE2 3.56Å; F43-F53 AromaticContact CD2-CG 3.78Å; F43-F53 HydrophobicContact CD2-CG 3.78Å; F43-F53 AromaticContact CD2-CZ 3.84Å; F43-F53 HydrophobicContact CD2-CZ 3.84Å; F43-F53 HydrophobicContact CE2-CB 3.64Å; F43-F53 AromaticContact CE2-CD1 3.75Å; F43-F53 HydrophobicContact CE2-CD1 3.75Å; F43-F53 AromaticContact CE2-CD2 3.49Å; F43-F53 HydrophobicContact CE2-CD2 3.49Å; F43-F53 VanDerWaalsContact CE2-CD2 3.49Å; F43-F53 HydrophobicContact CE2-CE1 4.24Å; F43-F53 HydrophobicContact CE2-CE2 4.01Å; F43-F53 AromaticContact CE2-CG 3.33Å; F43-F53 HydrophobicContact CE2-CG 3.33Å; F43-F53 HydrophobicContact CE2-CZ 4.36Å; F43-F53 HydrophobicContact CG-CD2 4.16Å; F43-F53 HydrophobicContact CG-CE2 4.09Å; F43-F53 HydrophobicContact CZ-CB 3.87Å; F43-F53 HydrophobicContact CZ-CD2 4.07Å; F43-F53 HydrophobicContact CZ-CG 4.01Å; F43-F53 WeakPolarHBondContact O-CE2 3.43Å; F43-L234 HydrophobicContact CB-CD1 4.29Å; F43-L234 HydrophobicContact CB-CD2 4.48Å; F43-R246 HydrophobicContact CB-CG 4Å; F43-R246 HydrophobicContact CD2-CG 4.4Å; F43-R246 HydrophobicContact CG-CG 4.1Å
44	T	98.5	Very high	97.9	Very high	67 Å²	67	60.8 Å²	60.8	41%	0.411	31%	0.314	S	S	.	.	H	α-helix	trans	-62	-48	-178.5	-57.4	0	0	0	0	112	T40 Q41 A42 N47 I48	T40-T44 PolarHBondContact O-N 2.67Å; T40-T44 VanDerWaalsContact O-N 3.07Å; T40-T44 PolarHBondContact O-OG1 2.97Å; Q41-T44 PolarHBondContact O-N 3.03Å; A42-T44 VanDerWaalsContact C-N 3.31Å; A42-T44 PolarHBondContact O-N 2.95Å; T44-N47 PolarHBondContact O-N 2.67Å; T44-I48 HydrophobicContact CG2-CD1 3.7Å; T44-I48 HydrophobicContact CG2-CG1 4.43Å; T44-I48 WeakPolarHBondContact O-CB 3.24Å; T44-I48 WeakPolarHBondContact O-CG1 3.07Å; T44-I48 PolarHBondContact O-N 3.15Å
45	F	98.5	Very high	97.8	Very high	69 Å²	69	57.2 Å²	57.2	30%	0.303	31%	0.305	S	S	.	.	H	α-helix	trans	-59.5	-50.4	-179.5	177.2	-92.8	0	0	0	111.6	Y35 Q41 A42 N47 I48 N49	Y35-F45 HydrophobicContact CD2-CB 4.46Å; Y35-F45 HydrophobicContact CD2-CD1 4.06Å; Y35-F45 HydrophobicContact CD2-CG 4.2Å; Y35-F45 HydrophobicContact CE2-CB 4.14Å; Y35-F45 AromaticContact CE2-CD1 3.55Å; Y35-F45 HydrophobicContact CE2-CD1 3.55Å; Y35-F45 AromaticContact CE2-CD2 3.78Å; Y35-F45 HydrophobicContact CE2-CD2 3.78Å; Y35-F45 AromaticContact CE2-CE1 3.81Å; Y35-F45 HydrophobicContact CE2-CE1 3.81Å; Y35-F45 HydrophobicContact CE2-CE2 4.03Å; Y35-F45 AromaticContact CE2-CG 3.54Å; Y35-F45 HydrophobicContact CE2-CG 3.54Å; Y35-F45 HydrophobicContact CE2-CZ 4.04Å; Y35-F45 AromaticContact CZ-CD2 3.66Å; Y35-F45 AromaticContact CZ-CG 3.79Å; Y35-F45 VanDerWaalsContact OH-CD2 3.26Å; Y35-F45 WeakPolarHBondContact OH-CD2 3.46Å; Y35-F45 WeakPolarHBondContact OH-CE2 3.42Å; Q41-F45 WeakPolarHBondContact O-CB 2.88Å; Q41-F45 PolarHBondContact O-N 3.46Å; A42-F45 PolarHBondContact O-N 3.32Å; F45-N47 VanDerWaalsContact C-N 3.32Å; F45-N47 PolarHBondContact O-N 3.22Å; F45-I48 PolarHBondContact O-N 2.56Å; F45-N49 WeakPolarHBondContact CD2-ND2 3.47Å; F45-N49 WeakPolarHBondContact CE2-ND2 3.46Å; F45-N49 WeakPolarHBondContact O-CB 3.28Å; F45-N49 PolarHBondContact O-N 3.24Å; F45-N49 PolarHBondContact O-ND2 3.02Å
46	Y	98.3	Very high	97.6	Very high	22 Å²	22	60.1 Å²	60.1	9%	0.086	33%	0.328	C	S	.	.	H	α-helix	trans	-70.1	-31.1	-180	-80.4	-74.6	0	0	0	112.4	D33 Y35 A42 Q50 G51 R52 M250	D33-Y46 WeakPolarHBondContact OD2-CE2 3.49Å; D33-Y46 VanDerWaalsContact OD2-CZ 3.3Å; D33-Y46 PolarHBondContact OD2-OH 2.81Å; Y35-Y46 HydrophobicContact CD2-CE2 4.49Å; A42-Y46 WeakPolarHBondContact O-CB 3.24Å; A42-Y46 VanDerWaalsContact O-CD2 3.24Å; A42-Y46 WeakPolarHBondContact O-CD2 3.47Å; A42-Y46 PolarHBondContact O-N 2.99Å; Y46-Q50 VanDerWaalsContact CD1-CD 3.48Å; Y46-Q50 HydrophobicContact CD1-CG 4.39Å; Y46-Q50 WeakPolarHBondContact O-CA 3.46Å; Y46-Q50 WeakPolarHBondContact O-CB 3.29Å; Y46-Q50 PolarHBondContact O-N 2.72Å; Y46-G51 PolarHBondContact O-N 2.97Å; Y46-R52 PolarHBondContact O-N 2.87Å; Y46-M250 HydrophobicContact CD2-CE 3.52Å; Y46-M250 HydrophobicContact CE1-CE 4.47Å; Y46-M250 HydrophobicContact CE2-CE 3.1Å; Y46-M250 HydrophobicContact CG-CE 4.38Å
47	N	97.8	Very high	97.4	Very high	31 Å²	31	66.4 Å²	66.4	17%	0.166	36%	0.357	C	S	.	.	H	α-helix	trans	-68.8	-44.9	175.5	-153.2	25.8	0	0	0	111.9	F43 T44 F45 G51 F53 Q54	F43-N47 WeakPolarHBondContact O-CB 3.21Å; F43-N47 PolarHBondContact O-N 3.22Å; T44-N47 PolarHBondContact O-N 2.67Å; F45-N47 VanDerWaalsContact C-N 3.32Å; F45-N47 PolarHBondContact O-N 3.22Å; N47-G51 WeakPolarHBondContact O-CA 3.37Å; N47-G51 PolarHBondContact O-N 3.28Å; N47-F53 HydrophobicContact CB-CD2 3.91Å; N47-F53 PolarHBondContact OD1-N 3.33Å; N47-Q54 VanDerWaalsContact CG-NE2 3.27Å; N47-Q54 PolarHBondContact ND2-NE2 2.98Å; N47-Q54 WeakPolarHBondContact OD1-CG 3.46Å; N47-Q54 PolarHBondContact OD1-NE2 2.9Å
48	I	97.8	Very high	97.4	Very high	128 Å²	128	62.6 Å²	62.6	66%	0.656	33%	0.333	S	S	*	.	H	α-helix	trans	-68	-46.5	-179.6	-70.4	172.3	0	0	0	111.1	T44 F45	T44-I48 HydrophobicContact CG2-CD1 3.7Å; T44-I48 HydrophobicContact CG2-CG1 4.43Å; T44-I48 WeakPolarHBondContact O-CB 3.24Å; T44-I48 WeakPolarHBondContact O-CG1 3.07Å; T44-I48 PolarHBondContact O-N 3.15Å; F45-I48 PolarHBondContact O-N 2.56Å
49	N	98.1	Very high	97.5	Very high	101 Å²	101	63 Å²	63	54%	0.54	33%	0.332	S	S	.	.	H	α-helix	trans	-86.7	-23.7	-170.4	-67.4	-68.9	0	0	0	113.8	F45	F45-N49 WeakPolarHBondContact CD2-ND2 3.47Å; F45-N49 WeakPolarHBondContact CE2-ND2 3.46Å; F45-N49 WeakPolarHBondContact O-CB 3.28Å; F45-N49 PolarHBondContact O-N 3.24Å; F45-N49 PolarHBondContact O-ND2 3.02Å
50	Q	96.7	Very high	97.5	Very high	113 Å²	113	67.7 Å²	67.7	53%	0.528	36%	0.355	S	S	.	.	H	α-helix	trans	-128.8	-4.8	-173	-54.5	180	6.3	0	0	113.3	Y46 R52	Y46-Q50 VanDerWaalsContact CD1-CD 3.48Å; Y46-Q50 HydrophobicContact CD1-CG 4.39Å; Y46-Q50 WeakPolarHBondContact O-CA 3.46Å; Y46-Q50 WeakPolarHBondContact O-CB 3.29Å; Y46-Q50 PolarHBondContact O-N 2.72Å; Q50-R52 HydrophobicContact CB-CB 4.33Å; Q50-R52 PolarHBondContact O-N 3.07Å
51	G	96.6	Very high	97.4	Very high	32 Å²	32	67.6 Å²	67.6	33%	0.33	35%	0.354	S	S	.	.			trans	59.1	24.6	-171.4	0	0	0	0	0	112.6	Y46 N47 F53 Q54	Y46-G51 PolarHBondContact O-N 2.97Å; N47-G51 WeakPolarHBondContact O-CA 3.37Å; N47-G51 PolarHBondContact O-N 3.28Å; G51-F53 PolarHBondContact O-N 3.19Å; G51-Q54 WeakPolarHBondContact O-CB 3.27Å; G51-Q54 PolarHBondContact O-N 2.92Å
52	R	97.5	Very high	97.3	Very high	26 Å²	26	69.9 Å²	69.9	10%	0.098	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.3	-164.8	-170.2	173.9	-176.3	176.3	0.7	114	Y46 Q50 V58 N254 Q257	Y46-R52 PolarHBondContact O-N 2.87Å; Q50-R52 HydrophobicContact CB-CB 4.33Å; Q50-R52 PolarHBondContact O-N 3.07Å; R52-V58 WeakPolarHBondContact O-CG2 3.47Å; R52-N254 PolarHBondContact NH1-OD1 3.34Å; R52-N254 PolarHBondContact NH2-OD1 2.85Å; R52-Q257 VanDerWaalsContact CZ-OE1 3.26Å
53	F	98	Very high	97.2	Very high	20 Å²	20	72.4 Å²	72.4	9%	0.088	39%	0.386	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.1	21	-179.3	-47.1	-80.2	0	0	0	112.3	F43 N47 G51 L234 F236 L253	F43-F53 HydrophobicContact CB-CE2 4.39Å; F43-F53 HydrophobicContact CD2-CD1 4.06Å; F43-F53 AromaticContact CD2-CD2 3.53Å; F43-F53 HydrophobicContact CD2-CD2 3.53Å; F43-F53 HydrophobicContact CD2-CE1 4.08Å; F43-F53 AromaticContact CD2-CE2 3.56Å; F43-F53 HydrophobicContact CD2-CE2 3.56Å; F43-F53 AromaticContact CD2-CG 3.78Å; F43-F53 HydrophobicContact CD2-CG 3.78Å; F43-F53 AromaticContact CD2-CZ 3.84Å; F43-F53 HydrophobicContact CD2-CZ 3.84Å; F43-F53 HydrophobicContact CE2-CB 3.64Å; F43-F53 AromaticContact CE2-CD1 3.75Å; F43-F53 HydrophobicContact CE2-CD1 3.75Å; F43-F53 AromaticContact CE2-CD2 3.49Å; F43-F53 HydrophobicContact CE2-CD2 3.49Å; F43-F53 VanDerWaalsContact CE2-CD2 3.49Å; F43-F53 HydrophobicContact CE2-CE1 4.24Å; F43-F53 HydrophobicContact CE2-CE2 4.01Å; F43-F53 AromaticContact CE2-CG 3.33Å; F43-F53 HydrophobicContact CE2-CG 3.33Å; F43-F53 HydrophobicContact CE2-CZ 4.36Å; F43-F53 HydrophobicContact CG-CD2 4.16Å; F43-F53 HydrophobicContact CG-CE2 4.09Å; F43-F53 HydrophobicContact CZ-CB 3.87Å; F43-F53 HydrophobicContact CZ-CD2 4.07Å; F43-F53 HydrophobicContact CZ-CG 4.01Å; F43-F53 WeakPolarHBondContact O-CE2 3.43Å; N47-F53 HydrophobicContact CB-CD2 3.91Å; N47-F53 PolarHBondContact OD1-N 3.33Å; G51-F53 PolarHBondContact O-N 3.19Å; F53-L234 HydrophobicContact CZ-CD2 4.44Å; F53-F236 HydrophobicContact CD1-CE2 4.24Å; F53-F236 HydrophobicContact CE1-CE2 4.17Å; F53-L253 HydrophobicContact CE1-CD2 3.77Å; F53-L253 HydrophobicContact CZ-CD2 3.73Å
54	Q	96.9	Very high	97	Very high	88 Å²	88	72.9 Å²	72.9	41%	0.411	39%	0.389	S	S	.	.			trans	-97.1	153	-177.6	-64	-64.3	-24	0	0	112.6	N47 G51 V58	N47-Q54 VanDerWaalsContact CG-NE2 3.27Å; N47-Q54 PolarHBondContact ND2-NE2 2.98Å; N47-Q54 WeakPolarHBondContact OD1-CG 3.46Å; N47-Q54 PolarHBondContact OD1-NE2 2.9Å; G51-Q54 WeakPolarHBondContact O-CB 3.27Å; G51-Q54 PolarHBondContact O-N 2.92Å; Q54-V58 PolarHBondContact O-N 3.48Å; Q54-V58 VanDerWaalsContact O-N 3.14Å
55	P	95.8	Very high	96.9	Very high	92 Å²	92	73.4 Å²	73.4	60%	0.597	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	158.6	165.9	29.4	-35.2	0	0	0	111.5
56	P	94.5	Very high	96.9	Very high	98 Å²	98	73.6 Å²	73.6	64%	0.636	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	cis	-83.7	-13.5	4.7	33.8	-35.7	0	0	0	113.9	H59	P56-H59 PolarHBondContact O-ND1 2.86Å
57	H	92.3	Very high	96.7	Very high	135 Å²	135	79.2 Å²	79.2	63%	0.625	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-41.9	-171.9	-57.6	-59.6	0	0	0	112.4	D279 G280	H57-D279 CarbonylContact O-C 3.49Å; H57-D279 WeakPolarHBondContact O-CA 3.4Å; H57-G280 PolarHBondContact O-N 3.16Å
58	V	98.2	Very high	96.7	Very high	13 Å²	13	79.9 Å²	79.9	8%	0.079	43%	0.432	C	S	.	.	S	Bend	trans	-100.3	121	176.1	-178.4	0	0	0	0	110.5	R52 Q54 F236 M277 T278 D279	R52-V58 WeakPolarHBondContact O-CG2 3.47Å; Q54-V58 PolarHBondContact O-N 3.48Å; Q54-V58 VanDerWaalsContact O-N 3.14Å; V58-F236 HydrophobicContact CG1-CE1 3.97Å; V58-F236 HydrophobicContact CG1-CZ 4.3Å; V58-F236 HydrophobicContact CG2-CZ 4.22Å; V58-M277 HydrophobicContact CG1-CE 3.63Å; V58-T278 VanDerWaalsContact CA-O 3.29Å; V58-T278 WeakPolarHBondContact CA-O 3.46Å; V58-D279 HydrophobicContact CG2-CB 4.07Å
59	H	98.5	Very high	96.7	Very high	93 Å²	93	79.1 Å²	79.1	43%	0.431	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	161.3	177.4	57.2	-80.8	0	0	0	112	P56 M277 T278	P56-H59 PolarHBondContact O-ND1 2.86Å; H59-M277 WeakPolarHBondContact O-CA 3.18Å; H59-T278 WeakPolarHBondContact CE1-CG2 3.04Å; H59-T278 PolarHBondContact N-O 3.41Å; H59-T278 PolarHBondContact O-N 3.2Å
60	M	98.4	Very high	96.6	Very high	112 Å²	112	77 Å²	77	55%	0.552	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	145.5	170.8	-63.6	-62.1	-63	0	0	110.1	L237 M276 M277	M60-L237 HydrophobicContact CE-CD2 4Å; M60-L237 HydrophobicContact SD-CD2 4.22Å; M60-M276 WeakPolarHBondContact CE-O 3.18Å; M60-M277 HydrophobicContact CE-CG 4.28Å; M60-M277 HydrophobicContact SD-CE 4.44Å; M60-M277 HydrophobicContact SD-CG 3.33Å; M60-M277 WeakPolarHBondContact SD-CG 3.32Å; M60-M277 HydrophobicContact SD-SD 3.84Å
61	V	97.8	Very high	96.6	Very high	44 Å²	44	74 Å²	74	27%	0.267	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	130.7	172.3	-179.6	0	0	0	0	107.5	M276 T278	V61-M276 HydrophobicContact CB-CB 4.04Å; V61-M276 HydrophobicContact CG1-CE 4.47Å; V61-M276 PolarHBondContact N-O 3.05Å; V61-M276 WeakPolarHBondContact O-CB 3.21Å; V61-T278 HydrophobicContact CG2-CG2 3.72Å
62	D	96.9	Very high	96.6	Very high	149 Å²	149	78.7 Å²	78.7	80%	0.797	44%	0.436	S	S	*	.	P	Polyproline II helix	trans	-73	129.9	175.4	-68.6	-34.1	0	0	0	109.7	M64	D62-M64 PolarHBondContact O-N 2.85Å
63	P	94.7	Very high	96.5	Very high	53 Å²	53	79.9 Å²	79.9	34%	0.344	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-59.2	137.6	172.8	-22.7	33.1	0	0	0	111.1	M276	P63-M276 HydrophobicContact CB-SD 4.14Å; P63-M276 HydrophobicContact CG-CG 4.32Å; P63-M276 HydrophobicContact CG-SD 4.18Å
64	M	94.8	Very high	96.5	Very high	45 Å²	45	83.1 Å²	83.1	22%	0.222	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-71.9	140.1	177.4	59.9	-172.6	-69.7	0	0	111.4	D62 T68 V302	D62-M64 PolarHBondContact O-N 2.85Å; M64-T68 HydrophobicContact CE-CG2 3.59Å; M64-V302 HydrophobicContact CE-CG2 4.18Å; M64-V302 HydrophobicContact CG-CG2 3.43Å; M64-V302 VanDerWaalsContact CG-CG2 3.43Å; M64-V302 VanDerWaalsContact CG-O 3.3Å; M64-V302 WeakPolarHBondContact CG-O 3.17Å; M64-V302 HydrophobicContact SD-CG2 3.85Å
65	P	96.9	Very high	96.6	Very high	78 Å²	78	78.9 Å²	78.9	51%	0.506	45%	0.449	S	S	.	.	P	Polyproline II helix	trans	-56.2	145.4	172.5	-27	35.3	0	0	0	112.6	D67 T68	P65-D67 WeakPolarHBondContact CB-OD1 3.44Å; P65-D67 PolarHBondContact O-N 2.92Å; P65-T68 WeakPolarHBondContact CD-OG1 3.48Å; P65-T68 WeakPolarHBondContact O-CB 3.19Å; P65-T68 PolarHBondContact O-N 2.82Å; P65-T68 PolarHBondContact O-OG1 2.78Å
66	H	97.7	Very high	96.7	Very high	72 Å²	72	74.7 Å²	74.7	33%	0.333	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-24.9	-176.2	-65	171.6	0	0	0	114	T68 P93 P300	H66-T68 VanDerWaalsContact C-N 3.31Å; H66-P93 HydrophobicContact CB-CB 3.87Å; H66-P300 PolarHBondContact NE2-O 2.83Å
67	D	95.9	Very high	96.9	Very high	140 Å²	140	70 Å²	70	75%	0.749	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-2.2	176.1	64.7	-19	0	0	0	113.4	P65 P69	P65-D67 WeakPolarHBondContact CB-OD1 3.44Å; P65-D67 PolarHBondContact O-N 2.92Å; D67-P69 WeakPolarHBondContact O-CD 3.49Å
68	T	97.1	Very high	97.2	Very high	45 Å²	45	63.6 Å²	63.6	28%	0.276	36%	0.361	S	S	.	.	S	Bend	trans	-58	123.8	177	-57.1	0	0	0	0	109.9	M64 P65 H66 K70 R76	M64-T68 HydrophobicContact CE-CG2 3.59Å; P65-T68 WeakPolarHBondContact CD-OG1 3.48Å; P65-T68 WeakPolarHBondContact O-CB 3.19Å; P65-T68 PolarHBondContact O-N 2.82Å; P65-T68 PolarHBondContact O-OG1 2.78Å; H66-T68 VanDerWaalsContact C-N 3.31Å; T68-K70 PolarHBondContact O-N 2.81Å; T68-R76 VanDerWaalsContact O-CZ 3.27Å; T68-R76 PolarHBondContact O-NH1 2.7Å; T68-R76 PolarHBondContact O-NH2 3.19Å
69	P	97	Very high	97.3	Very high	112 Å²	112	63 Å²	63	73%	0.727	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-59.2	128.4	177.9	-25.3	34.8	0	0	0	111.7	D67 P71	D67-P69 WeakPolarHBondContact O-CD 3.49Å; P69-P71 WeakPolarHBondContact O-CD 3.45Å
70	K	97.2	Very high	97.3	Very high	56 Å²	56	58.6 Å²	58.6	24%	0.243	34%	0.337	C	S	.	.	P	Polyproline II helix	trans	-72.3	123.3	175.4	-171.9	-179.7	74.2	-164.3	0	109.7	T68 R76 Y94 D96	T68-K70 PolarHBondContact O-N 2.81Å; K70-R76 VanDerWaalsContact CA-NH2 3.31Å; K70-R76 HydrophobicContact CD-CB 3.52Å; K70-R76 HydrophobicContact CG-CB 4.23Å; K70-Y94 PolarHBondContact NZ-OH 3.03Å; K70-D96 WeakPolarHBondContact CD-OD2 3.4Å; K70-D96 WeakPolarHBondContact CE-OD2 3.48Å; K70-D96 IonicContact NZ-OD1 2.71Å; K70-D96 PolarHBondContact NZ-OD1 3.05Å; K70-D96 IonicContact NZ-OD2 2.71Å; K70-D96 PolarHBondContact NZ-OD2 2.91Å
71	P	95.8	Very high	97.3	Very high	52 Å²	52	53.2 Å²	53.2	34%	0.338	31%	0.311	S	S	.	.	P	Polyproline II helix	trans	-61.9	148	-179.6	-22.4	32.9	0	0	0	112.7	P69 G73 Y74 D304	P69-P71 WeakPolarHBondContact O-CD 3.45Å; P71-G73 PolarHBondContact O-N 3.01Å; P71-Y74 HydrophobicContact CB-CD2 3.7Å; P71-Y74 HydrophobicContact CB-CE2 4.05Å; P71-Y74 HydrophobicContact CB-CG 4.09Å; P71-Y74 HydrophobicContact CG-CD2 4.41Å; P71-Y74 HydrophobicContact CG-CG 4.38Å; P71-Y74 WeakPolarHBondContact O-CB 3.48Å; P71-Y74 PolarHBondContact O-N 3.1Å; P71-D304 VanDerWaalsContact CD-OD2 3.29Å; P71-D304 WeakPolarHBondContact CD-OD2 3.39Å
72	P	96.4	Very high	97.3	Very high	130 Å²	130	51.1 Å²	51.1	84%	0.844	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	137.3	172.4	-23.6	33.7	0	0	0	111.8	Y74	P72-Y74 VanDerWaalsContact C-N 3.33Å; P72-Y74 WeakPolarHBondContact O-CD2 3.24Å
73	G	96.4	Very high	97.4	Very high	50 Å²	50	44 Å²	44	52%	0.515	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	14.7	-179.6	0	0	0	0	0	114.7	P71 N307	P71-G73 PolarHBondContact O-N 3.01Å; G73-N307 VanDerWaalsContact O-CB 3.28Å; G73-N307 WeakPolarHBondContact O-CB 3.23Å; G73-N307 PolarHBondContact O-N 3.27Å; G73-N307 PolarHBondContact O-ND2 2.97Å
74	Y	97.8	Very high	97.6	Very high	88 Å²	88	41.6 Å²	41.6	35%	0.345	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	157.2	173.7	-75.3	-120.1	0	0	0	111.4	P71 P72 D304 L305 P306	P71-Y74 HydrophobicContact CB-CD2 3.7Å; P71-Y74 HydrophobicContact CB-CE2 4.05Å; P71-Y74 HydrophobicContact CB-CG 4.09Å; P71-Y74 HydrophobicContact CG-CD2 4.41Å; P71-Y74 HydrophobicContact CG-CG 4.38Å; P71-Y74 WeakPolarHBondContact O-CB 3.48Å; P71-Y74 PolarHBondContact O-N 3.1Å; P72-Y74 VanDerWaalsContact C-N 3.33Å; P72-Y74 WeakPolarHBondContact O-CD2 3.24Å; Y74-D304 HydrophobicContact CD1-CB 3.89Å; Y74-L305 CarbonylContact C-O 3.54Å; Y74-L305 VanDerWaalsContact CA-O 3.27Å; Y74-L305 WeakPolarHBondContact CA-O 3.3Å; Y74-L305 WeakPolarHBondContact CB-O 3.38Å; Y74-P306 HydrophobicContact CD1-CB 4.31Å; Y74-P306 VanDerWaalsContact CD1-N 3.3Å; Y74-P306 HydrophobicContact CD2-CB 4.46Å; Y74-P306 HydrophobicContact CE1-CB 3.94Å; Y74-P306 HydrophobicContact CE1-CG 4.28Å; Y74-P306 HydrophobicContact CE2-CB 4.09Å
75	T	98.3	Very high	97.8	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.6	168.1	-66.9	0	0	0	0	108.3	F77 D96 V97 R187 F189 D304 L305 N307	T75-F77 HydrophobicContact CG2-CD2 4.31Å; T75-F77 HydrophobicContact CG2-CE1 4.3Å; T75-F77 HydrophobicContact CG2-CE2 3.68Å; T75-F77 HydrophobicContact CG2-CZ 3.69Å; T75-D96 WeakPolarHBondContact CA-OD2 3.29Å; T75-D96 HydrophobicContact CG2-CB 3.89Å; T75-V97 HydrophobicContact CG2-CG2 3.84Å; T75-R187 PolarHBondContact OG1-NH1 3.44Å; T75-F189 HydrophobicContact CG2-CE2 4.15Å; T75-D304 WeakPolarHBondContact O-CA 3.28Å; T75-L305 PolarHBondContact N-O 2.9Å; T75-L305 PolarHBondContact O-N 3.33Å; T75-N307 WeakPolarHBondContact CB-OD1 3.41Å; T75-N307 PolarHBondContact N-OD1 2.83Å; T75-N307 VanDerWaalsContact N-OD1 3.09Å; T75-N307 PolarHBondContact OG1-OD1 3.41Å
76	R	98.6	Very high	97.8	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	117.6	175.6	-180	160.8	-68.3	177.7	4.1	110.3	T68 K70 Y94 D96 V97 V302 D304	T68-R76 VanDerWaalsContact O-CZ 3.27Å; T68-R76 PolarHBondContact O-NH1 2.7Å; T68-R76 PolarHBondContact O-NH2 3.19Å; K70-R76 VanDerWaalsContact CA-NH2 3.31Å; K70-R76 HydrophobicContact CD-CB 3.52Å; K70-R76 HydrophobicContact CG-CB 4.23Å; R76-Y94 WeakPolarHBondContact CD-O 3.49Å; R76-D96 PolarHBondContact N-OD2 3.09Å; R76-D96 PolarHBondContact O-N 3.47Å; R76-V97 PolarHBondContact O-N 3.42Å; R76-V97 VanDerWaalsContact O-N 3.14Å; R76-V302 HydrophobicContact CG-CB 4.11Å; R76-D304 VanDerWaalsContact CA-OD1 3.28Å; R76-D304 WeakPolarHBondContact CA-OD1 3.36Å; R76-D304 WeakPolarHBondContact CB-OD1 3.18Å; R76-D304 VanDerWaalsContact CG-OD1 3.24Å; R76-D304 WeakPolarHBondContact CG-OD1 3.38Å; R76-D304 IonicContact CZ-OD1 3.6Å; R76-D304 IonicContact CZ-OD2 3.59Å; R76-D304 IonicContact NE-OD1 2.76Å; R76-D304 PolarHBondContact NE-OD1 2.84Å; R76-D304 IonicContact NE-OD2 3.53Å; R76-D304 IonicContact NH2-OD1 3.56Å; R76-D304 IonicContact NH2-OD2 2.78Å; R76-D304 PolarHBondContact NH2-OD2 3.22Å
77	F	98.7	Very high	97.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134	171.9	-63.3	-88.8	0	0	0	109.3	T75 V97 I99 F189 I191 I226 V302 F303 L305	T75-F77 HydrophobicContact CG2-CD2 4.31Å; T75-F77 HydrophobicContact CG2-CE1 4.3Å; T75-F77 HydrophobicContact CG2-CE2 3.68Å; T75-F77 HydrophobicContact CG2-CZ 3.69Å; F77-V97 CarbonylContact C-O 3.59Å; F77-V97 VanDerWaalsContact CA-O 3.3Å; F77-V97 WeakPolarHBondContact CA-O 3.47Å; F77-V97 HydrophobicContact CD1-CB 3.68Å; F77-V97 HydrophobicContact CD1-CG1 3.83Å; F77-V97 HydrophobicContact CD1-CG2 4.43Å; F77-V97 HydrophobicContact CE1-CB 3.76Å; F77-V97 HydrophobicContact CE1-CG1 3.84Å; F77-V97 HydrophobicContact CE1-CG2 4.05Å; F77-I99 HydrophobicContact CB-CD1 4.46Å; F77-I99 HydrophobicContact CD1-CD1 3.72Å; F77-I99 HydrophobicContact CD1-CG1 4.4Å; F77-I99 HydrophobicContact CE1-CD1 4.49Å; F77-I99 HydrophobicContact CG-CD1 4.45Å; F77-F189 HydrophobicContact CE2-CD2 4.48Å; F77-F189 HydrophobicContact CE2-CE1 4.41Å; F77-F189 HydrophobicContact CE2-CE2 4.18Å; F77-F189 HydrophobicContact CE2-CZ 4.11Å; F77-F189 HydrophobicContact CZ-CD1 4.32Å; F77-F189 AromaticContact CZ-CD2 3.78Å; F77-F189 HydrophobicContact CZ-CD2 3.78Å; F77-F189 HydrophobicContact CZ-CE1 4.43Å; F77-F189 AromaticContact CZ-CE2 3.9Å; F77-F189 HydrophobicContact CZ-CE2 3.9Å; F77-F189 AromaticContact CZ-CG 3.97Å; F77-F189 HydrophobicContact CZ-CG 3.97Å; F77-F189 HydrophobicContact CZ-CZ 4.2Å; F77-I191 HydrophobicContact CE1-CD1 4.24Å; F77-I226 HydrophobicContact CD1-CD1 3.9Å; F77-I226 HydrophobicContact CD2-CD1 4.37Å; F77-I226 HydrophobicContact CE1-CD1 3.32Å; F77-I226 HydrophobicContact CE2-CD1 3.89Å; F77-I226 HydrophobicContact CG-CD1 4.38Å; F77-I226 HydrophobicContact CZ-CD1 3.32Å; F77-V302 CarbonylContact O-C 3.58Å; F77-V302 VanDerWaalsContact O-CA 3.24Å; F77-V302 WeakPolarHBondContact O-CA 3.39Å; F77-F303 PolarHBondContact N-O 2.94Å; F77-F303 PolarHBondContact O-N 2.69Å; F77-L305 HydrophobicContact CD2-CB 4.47Å; F77-L305 HydrophobicContact CD2-CD1 4.24Å; F77-L305 HydrophobicContact CD2-CG 4.45Å; F77-L305 HydrophobicContact CE2-CB 3.97Å; F77-L305 HydrophobicContact CE2-CD1 3.87Å; F77-L305 HydrophobicContact CE2-CG 4.25Å
78	V	98.8	Very high	97.7	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	108.9	172.7	-175.3	0	0	0	0	107.5	M92 P93 V97 I99 Y125 P300 V302	V78-M92 HydrophobicContact CG1-CE 3.78Å; V78-P93 HydrophobicContact CG1-CG 3.73Å; V78-P93 HydrophobicContact CG2-CG 4.34Å; V78-V97 PolarHBondContact N-O 3.16Å; V78-I99 PolarHBondContact O-N 2.86Å; V78-Y125 HydrophobicContact CB-CE1 4.46Å; V78-Y125 HydrophobicContact CG2-CE1 3.77Å; V78-P300 HydrophobicContact CG1-CB 3.86Å; V78-V302 HydrophobicContact CG1-CG1 4.45Å; V78-V302 HydrophobicContact CG2-CG1 4.13Å
79	C	98.9	Very high	97.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	127.9	-173	-58.1	0	0	0	0	110.3	V266 I285 A287 I301	C79-V266 HydrophobicContact CB-CG1 3.85Å; C79-I285 HydrophobicContact CB-CG2 4.18Å; C79-A287 HydrophobicContact CB-CB 4.04Å; C79-I301 WeakPolarHBondContact CB-O 3.26Å; C79-I301 PolarHBondContact N-O 3.2Å; C79-I301 PolarHBondContact O-N 3Å
80	I	98.8	Very high	97.3	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	162.6	173.2	-160.2	170.3	0	0	0	109.7	T83 I90 M92 F98 I99 H100 A101 A287 A289 P300	I80-T83 HydrophobicContact CD1-CG2 3.68Å; I80-T83 HydrophobicContact CG1-CG2 3.97Å; I80-I90 HydrophobicContact CD1-CD1 3.83Å; I80-I90 HydrophobicContact CD1-CG2 3.92Å; I80-M92 HydrophobicContact CD1-SD 4.35Å; I80-F98 HydrophobicContact CG2-CE2 3.43Å; I80-F98 VanDerWaalsContact CG2-CE2 3.43Å; I80-F98 HydrophobicContact CG2-CZ 3.44Å; I80-F98 VanDerWaalsContact CG2-CZ 3.44Å; I80-I99 PolarHBondContact N-O 2.92Å; I80-H100 HydrophobicContact CG2-CB 4.24Å; I80-H100 CarbonylContact O-C 3.55Å; I80-H100 WeakPolarHBondContact O-CA 3.42Å; I80-A101 PolarHBondContact O-N 2.91Å; I80-A287 CarbonylContact C-O 3.14Å; I80-A289 HydrophobicContact CD1-CB 3.94Å; I80-A289 HydrophobicContact CG1-CB 3.73Å; I80-P300 HydrophobicContact CD1-CG 4.23Å
81	S	98.9	Very high	97.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-160.5	168.5	175.5	-168.9	0	0	0	0	109.4	T83 A101 G102 G268 A287 A289	S81-T83 VanDerWaalsContact C-N 3.3Å; S81-T83 PolarHBondContact O-N 2.91Å; S81-A101 VanDerWaalsContact OG-C 3.26Å; S81-A101 PolarHBondContact OG-O 3.17Å; S81-A101 VanDerWaalsContact OG-O 3.05Å; S81-G102 PolarHBondContact OG-O 3.02Å; S81-G268 WeakPolarHBondContact OG-CA 3.3Å; S81-A287 PolarHBondContact N-O 3.27Å; S81-A289 VanDerWaalsContact O-CB 3.23Å; S81-A289 WeakPolarHBondContact O-CB 3.43Å; S81-A289 PolarHBondContact O-N 2.63Å
82	D	98.8	Very high	97.4	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.225	C	C	.	.			trans	54.6	46.2	166.7	-47.7	-90.9	0	0	0	112.4	H84 G102 D103 H230 G268 H269 H271 S288 C290	D82-H84 PolarHBondContact O-CD2 3.37Å; D82-G102 PolarHBondContact N-O 3.22Å; D82-D103 CarbonylContact C-O 2.95Å; D82-D103 WeakPolarHBondContact CA-O 3.43Å; D82-D103 HydrophobicContact CB-CB 4.35Å; D82-H230 IonicContact OD1-CE1 3.73Å; D82-H230 PolarHBondContact OD1-CE1 2.85Å; D82-G268 WeakPolarHBondContact OD2-CA 3.46Å; D82-H269 VanDerWaalsContact CG-N 3.33Å; D82-H269 VanDerWaalsContact OD1-CA 3.25Å; D82-H269 WeakPolarHBondContact OD1-CA 3.36Å; D82-H269 PolarHBondContact OD1-N 3.03Å; D82-H269 PolarHBondContact OD2-N 2.88Å; D82-H271 WeakPolarHBondContact CB-NE2 3.3Å; D82-H271 IonicContact OD1-NE2 2.71Å; D82-S288 PolarHBondContact OD2-OG 3.41Å; D82-C290 VanDerWaalsContact O-CB 3.24Å; D82-C290 WeakPolarHBondContact O-CB 3.46Å; D82-C290 PolarHBondContact O-N 2.81Å; D82-C290 PolarHBondContact O-SG 3.19Å
83	T	98.8	Very high	97.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.			trans	-80.4	-21.1	178	56.9	0	0	0	0	111.8	I80 S81 S85 R86 T87 I90 H100 D103 A289	I80-T83 HydrophobicContact CD1-CG2 3.68Å; I80-T83 HydrophobicContact CG1-CG2 3.97Å; S81-T83 VanDerWaalsContact C-N 3.3Å; S81-T83 PolarHBondContact O-N 2.91Å; T83-S85 VanDerWaalsContact C-N 3.34Å; T83-S85 PolarHBondContact O-N 2.83Å; T83-R86 WeakPolarHBondContact O-CA 3.3Å; T83-R86 VanDerWaalsContact O-CB 3.26Å; T83-R86 WeakPolarHBondContact O-CB 3.15Å; T83-R86 PolarHBondContact O-N 3.43Å; T83-T87 HydrophobicContact CG2-CG2 4.35Å; T83-I90 HydrophobicContact CG2-CD1 3.69Å; T83-H100 WeakPolarHBondContact CG2-NE2 3.32Å; T83-H100 PolarHBondContact OG1-NE2 3.03Å; T83-D103 PolarHBondContact N-O 2.66Å; T83-A289 HydrophobicContact CG2-CB 4.05Å
84	H	98.4	Very high	97.5	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.009	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.9	52.9	174.7	-61.1	-73.8	0	0	0	113.4	D82 R86 D103 T105 E106 H135 H271 F294	D82-H84 PolarHBondContact O-CD2 3.37Å; H84-R86 WeakPolarHBondContact O-CG 3.32Å; H84-R86 PolarHBondContact O-N 3.15Å; H84-R86 VanDerWaalsContact O-N 3.09Å; H84-D103 IonicContact CE1-OD2 3.56Å; H84-D103 PolarHBondContact CE1-OD2 2.85Å; H84-D103 PolarHBondContact N-O 3.2Å; H84-T105 PolarHBondContact ND1-O 2.9Å; H84-E106 HydrophobicContact CB-CG 4.36Å; H84-H135 AromaticContact CE1-CD2 3.45Å; H84-H135 PolarHBondContact CE1-CD2 3.45Å; H84-H135 VanDerWaalsContact CE1-CD2 3.45Å; H84-H135 AromaticContact CE1-CE1 3.84Å; H84-H135 AromaticContact CE1-CG 3.79Å; H84-H135 AromaticContact CE1-NE2 3.52Å; H84-H135 AromaticContact ND1-CD2 3.85Å; H84-H135 AromaticContact ND1-CE1 3.87Å; H84-H135 AromaticContact ND1-CG 3.7Å; H84-H135 AromaticContact ND1-ND1 3.72Å; H84-H135 AromaticContact ND1-NE2 3.99Å; H84-H271 AromaticContact CD2-CE1 3.96Å; H84-H271 AromaticContact NE2-CE1 3.42Å; H84-H271 PolarHBondContact NE2-CE1 3.11Å; H84-H271 AromaticContact NE2-NE2 3.44Å; H84-H271 PolarHBondContact NE2-NE2 2.81Å; H84-F294 AromaticContact CD2-CD1 3.88Å; H84-F294 AromaticContact NE2-CE1 3.79Å
85	S	98.3	Very high	97.5	Very high	20 Å²	20	35 Å²	35	14%	0.14	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.7	8.8	-177.6	-59.9	0	0	0	0	116.1	T83 F104 T105 E112 K115	T83-S85 VanDerWaalsContact C-N 3.34Å; T83-S85 PolarHBondContact O-N 2.83Å; S85-F104 PolarHBondContact N-O 2.8Å; S85-T105 WeakPolarHBondContact OG-CA 3.12Å; S85-E112 PolarHBondContact OG-OE1 3.21Å; S85-K115 PolarHBondContact O-NZ 2.98Å
86	R	97.8	Very high	97.5	Very high	102 Å²	102	36.3 Å²	36.3	39%	0.385	19%	0.185	S	C	.	.			trans	-106.4	47.6	-175	-59.2	161.4	-164.6	-82.6	-7.9	113.2	T83 H84 E106 F294 P296	T83-R86 WeakPolarHBondContact O-CA 3.3Å; T83-R86 VanDerWaalsContact O-CB 3.26Å; T83-R86 WeakPolarHBondContact O-CB 3.15Å; T83-R86 PolarHBondContact O-N 3.43Å; H84-R86 WeakPolarHBondContact O-CG 3.32Å; H84-R86 PolarHBondContact O-N 3.15Å; H84-R86 VanDerWaalsContact O-N 3.09Å; R86-E106 IonicContact CZ-OE1 2.9Å; R86-E106 IonicContact NE-OE1 2.66Å; R86-E106 PolarHBondContact NE-OE1 2.94Å; R86-E106 IonicContact NH2-OE1 3.8Å; R86-E106 PolarHBondContact NH2-OE1 3.41Å; R86-F294 VanDerWaalsContact CD-O 3.28Å; R86-F294 WeakPolarHBondContact CD-O 3.49Å; R86-F294 PolarHBondContact NE-O 3.21Å; R86-P296 HydrophobicContact CB-CB 4.25Å; R86-P296 HydrophobicContact CB-CG 3.91Å
87	T	97.8	Very high	97.5	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.012	18%	0.184	C	C	.	.			trans	-80.4	-19.6	-176.5	50.9	0	0	0	0	114.6	T83 A89 I90 F116 W119	T83-T87 HydrophobicContact CG2-CG2 4.35Å; T87-A89 VanDerWaalsContact C-N 3.26Å; T87-A89 PolarHBondContact O-N 2.92Å; T87-A89 VanDerWaalsContact O-N 3.14Å; T87-I90 PolarHBondContact O-N 2.86Å; T87-I90 VanDerWaalsContact O-N 3.12Å; T87-F116 HydrophobicContact CG2-CD2 4.14Å; T87-F116 HydrophobicContact CG2-CE2 4.46Å; T87-W119 HydrophobicContact CG2-CD2 3.62Å; T87-W119 HydrophobicContact CG2-CE3 3.65Å; T87-W119 HydrophobicContact CG2-CG 4.11Å; T87-W119 HydrophobicContact CG2-CH2 4.17Å; T87-W119 HydrophobicContact CG2-CZ2 4.17Å; T87-W119 HydrophobicContact CG2-CZ3 3.93Å
88	D	94.1	Very high	97.5	Very high	127 Å²	127	36.1 Å²	36.1	68%	0.679	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-28.9	-168.7	-55.7	-38.5	0	0	0	114.1	K115	D88-K115 IonicContact OD1-NZ 3.61Å; D88-K115 IonicContact OD2-NZ 3.93Å; D88-K115 PolarHBondContact OD2-NZ 3.41Å
89	A	90.5	Very high	97.5	Very high	80 Å²	80	36.1 Å²	36.1	66%	0.661	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-4.3	-177.8	0	0	0	0	0	114	T87 Q91	T87-A89 VanDerWaalsContact C-N 3.26Å; T87-A89 PolarHBondContact O-N 2.92Å; T87-A89 VanDerWaalsContact O-N 3.14Å; A89-Q91 PolarHBondContact O-N 3.42Å
90	I	95.3	Very high	97.5	Very high	21 Å²	21	36.1 Å²	36.1	11%	0.108	18%	0.184	C	C	.	.			trans	-82.7	118.1	-170.4	-52.9	-178.2	0	0	0	109.6	I80 T83 T87 M92 A289 P296 P300	I80-I90 HydrophobicContact CD1-CD1 3.83Å; I80-I90 HydrophobicContact CD1-CG2 3.92Å; T83-I90 HydrophobicContact CG2-CD1 3.69Å; T87-I90 PolarHBondContact O-N 2.86Å; T87-I90 VanDerWaalsContact O-N 3.12Å; I90-M92 HydrophobicContact CB-SD 4.46Å; I90-M92 HydrophobicContact CG2-CG 4.5Å; I90-M92 HydrophobicContact CG2-SD 3.57Å; I90-M92 VanDerWaalsContact CG2-SD 3.57Å; I90-M92 PolarHBondContact O-N 2.84Å; I90-A289 HydrophobicContact CD1-CB 4.44Å; I90-P296 HydrophobicContact CD1-CB 4.24Å; I90-P296 HydrophobicContact CG1-CB 4.16Å; I90-P300 HydrophobicContact CG2-CG 3.98Å
91	Q	95.9	Very high	97.5	Very high	172 Å²	172	36.1 Å²	36.1	80%	0.804	18%	0.184	S	C	*	.			trans	-81.3	116	172	-65.1	-172.1	5.3	0	0	109.8	A89	A89-Q91 PolarHBondContact O-N 3.42Å
92	M	98	Very high	97.5	Very high	43 Å²	43	36.1 Å²	36.1	21%	0.212	18%	0.184	C	C	.	.	P	Polyproline II helix	trans	-93.4	124.6	-174.7	-67.4	-54.8	-58.8	0	0	111.1	V78 I80 I90 F98 W119 L123 Y125 P300	V78-M92 HydrophobicContact CG1-CE 3.78Å; I80-M92 HydrophobicContact CD1-SD 4.35Å; I90-M92 HydrophobicContact CB-SD 4.46Å; I90-M92 HydrophobicContact CG2-CG 4.5Å; I90-M92 HydrophobicContact CG2-SD 3.57Å; I90-M92 VanDerWaalsContact CG2-SD 3.57Å; I90-M92 PolarHBondContact O-N 2.84Å; M92-F98 HydrophobicContact CE-CD2 3.73Å; M92-F98 HydrophobicContact CE-CE2 3.52Å; M92-W119 HydrophobicContact CG-CZ2 3.9Å; M92-W119 HydrophobicContact SD-CH2 4.11Å; M92-W119 HydrophobicContact SD-CZ2 3.82Å; M92-L123 HydrophobicContact CB-CD2 4.23Å; M92-L123 HydrophobicContact CG-CD2 3.72Å; M92-Y125 WeakPolarHBondContact CB-OH 3.45Å; M92-Y125 HydrophobicContact CE-CE2 3.89Å; M92-Y125 WeakPolarHBondContact CE-OH 3.45Å; M92-P300 HydrophobicContact CE-CB 4.4Å; M92-P300 HydrophobicContact CE-CG 4.11Å; M92-P300 HydrophobicContact SD-CG 3.71Å
93	P	97.9	Very high	97.5	Very high	10 Å²	10	36.2 Å²	36.2	7%	0.065	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-77.9	168.4	-177.1	31.6	-36.3	0	0	0	112.8	H66 V78 Y125 P300 V302	H66-P93 HydrophobicContact CB-CB 3.87Å; V78-P93 HydrophobicContact CG1-CG 3.73Å; V78-P93 HydrophobicContact CG2-CG 4.34Å; P93-Y125 VanDerWaalsContact O-CE1 3.32Å; P93-Y125 WeakPolarHBondContact O-CE1 3.48Å; P93-Y125 PolarHBondContact O-OH 3.42Å; P93-P300 HydrophobicContact CG-CB 4.1Å; P93-V302 HydrophobicContact CB-CG1 3.98Å; P93-V302 HydrophobicContact CG-CG1 3.45Å; P93-V302 VanDerWaalsContact CG-CG1 3.45Å
94	Y	97.4	Very high	97.5	Very high	144 Å²	144	36.2 Å²	36.2	57%	0.565	19%	0.185	S	C	*	.	P	Polyproline II helix	trans	-64.1	140.2	169.3	173	-100.2	0	0	0	111.6	K70 R76	K70-Y94 PolarHBondContact NZ-OH 3.03Å; R76-Y94 WeakPolarHBondContact CD-O 3.49Å
95	G	97.6	Very high	97.5	Very high	8 Å²	8	36.1 Å²	36.1	8%	0.082	18%	0.184	C	C	.	.			trans	-175.2	179.3	174.9	0	0	0	0	0	111.9	Y125	G95-Y125 WeakPolarHBondContact O-CD1 3.5Å
96	D	98.1	Very high	97.5	Very high	27 Å²	27	37.5 Å²	37.5	14%	0.144	19%	0.189	C	C	.	.	S	Bend	trans	-105.5	-41.7	-176.7	-57.4	-61	0	0	0	112.5	K70 T75 R76	K70-D96 WeakPolarHBondContact CD-OD2 3.4Å; K70-D96 WeakPolarHBondContact CE-OD2 3.48Å; K70-D96 IonicContact NZ-OD1 2.71Å; K70-D96 PolarHBondContact NZ-OD1 3.05Å; K70-D96 IonicContact NZ-OD2 2.71Å; K70-D96 PolarHBondContact NZ-OD2 2.91Å; T75-D96 WeakPolarHBondContact CA-OD2 3.29Å; T75-D96 HydrophobicContact CG2-CB 3.89Å; R76-D96 PolarHBondContact N-OD2 3.09Å; R76-D96 PolarHBondContact O-N 3.47Å
97	V	98.7	Very high	97.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	122.3	-176	-179.3	0	0	0	0	109	T75 R76 F77 V78 I99 I127 I129	T75-V97 HydrophobicContact CG2-CG2 3.84Å; R76-V97 PolarHBondContact O-N 3.42Å; R76-V97 VanDerWaalsContact O-N 3.14Å; F77-V97 CarbonylContact C-O 3.59Å; F77-V97 VanDerWaalsContact CA-O 3.3Å; F77-V97 WeakPolarHBondContact CA-O 3.47Å; F77-V97 HydrophobicContact CD1-CB 3.68Å; F77-V97 HydrophobicContact CD1-CG1 3.83Å; F77-V97 HydrophobicContact CD1-CG2 4.43Å; F77-V97 HydrophobicContact CE1-CB 3.76Å; F77-V97 HydrophobicContact CE1-CG1 3.84Å; F77-V97 HydrophobicContact CE1-CG2 4.05Å; V78-V97 PolarHBondContact N-O 3.16Å; V97-I99 HydrophobicContact CG1-CG1 4.43Å; V97-I127 HydrophobicContact CG1-CB 4.36Å; V97-I127 HydrophobicContact CG1-CG2 3.95Å; V97-I127 HydrophobicContact CG2-CB 4.31Å; V97-I127 HydrophobicContact CG2-CD1 4.24Å; V97-I129 HydrophobicContact CG1-CG1 4.27Å
98	F	98.9	Very high	97.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	137.7	174.6	171.6	-92	0	0	0	110.6	I80 M92 H100 W119 L120 L123 Y125 I127 K128 I129	I80-F98 HydrophobicContact CG2-CE2 3.43Å; I80-F98 VanDerWaalsContact CG2-CE2 3.43Å; I80-F98 HydrophobicContact CG2-CZ 3.44Å; I80-F98 VanDerWaalsContact CG2-CZ 3.44Å; M92-F98 HydrophobicContact CE-CD2 3.73Å; M92-F98 HydrophobicContact CE-CE2 3.52Å; F98-H100 HydrophobicContact CE1-CB 3.76Å; F98-H100 HydrophobicContact CZ-CB 4.01Å; F98-W119 AromaticContact CE2-CH2 3.98Å; F98-W119 HydrophobicContact CE2-CH2 3.98Å; F98-W119 HydrophobicContact CE2-CZ3 4.33Å; F98-W119 AromaticContact CZ-CH2 3.86Å; F98-W119 HydrophobicContact CZ-CH2 3.86Å; F98-W119 AromaticContact CZ-CZ3 3.77Å; F98-W119 HydrophobicContact CZ-CZ3 3.77Å; F98-L120 HydrophobicContact CD1-CD2 4.12Å; F98-L120 HydrophobicContact CE1-CD2 3.46Å; F98-L120 VanDerWaalsContact CE1-CD2 3.46Å; F98-L120 HydrophobicContact CZ-CD2 3.97Å; F98-L123 HydrophobicContact CD2-CD1 4.24Å; F98-L123 HydrophobicContact CE2-CD1 4.07Å; F98-L123 HydrophobicContact CZ-CD1 4.31Å; F98-Y125 HydrophobicContact CB-CD2 3.49Å; F98-Y125 VanDerWaalsContact CB-CD2 3.49Å; F98-Y125 HydrophobicContact CB-CE2 4.07Å; F98-Y125 HydrophobicContact CB-CG 3.85Å; F98-Y125 AromaticContact CD2-CD2 3.98Å; F98-Y125 HydrophobicContact CD2-CD2 3.98Å; F98-Y125 AromaticContact CD2-CE2 3.77Å; F98-Y125 HydrophobicContact CD2-CE2 3.77Å; F98-Y125 AromaticContact CG-CD2 4Å; F98-Y125 HydrophobicContact CG-CD2 4Å; F98-Y125 HydrophobicContact CG-CE2 4.27Å; F98-I127 PolarHBondContact N-O 2.78Å; F98-K128 HydrophobicContact CB-CB 4.41Å; F98-K128 HydrophobicContact CB-CG 4.05Å; F98-K128 HydrophobicContact CD1-CB 3.84Å; F98-K128 HydrophobicContact CD1-CG 3.88Å; F98-K128 HydrophobicContact CG-CG 4.26Å; F98-K128 CarbonylContact O-C 3.54Å; F98-K128 WeakPolarHBondContact O-CA 3.38Å; F98-I129 PolarHBondContact O-N 3.12Å
99	I	98.9	Very high	97.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	123.2	176.5	-61.6	177.6	0	0	0	108.6	F77 V78 I80 V97 I129 I226 V228 V266	F77-I99 HydrophobicContact CB-CD1 4.46Å; F77-I99 HydrophobicContact CD1-CD1 3.72Å; F77-I99 HydrophobicContact CD1-CG1 4.4Å; F77-I99 HydrophobicContact CE1-CD1 4.49Å; F77-I99 HydrophobicContact CG-CD1 4.45Å; V78-I99 PolarHBondContact O-N 2.86Å; I80-I99 PolarHBondContact N-O 2.92Å; V97-I99 HydrophobicContact CG1-CG1 4.43Å; I99-I129 CarbonylContact C-O 3.6Å; I99-I129 WeakPolarHBondContact CA-O 3.44Å; I99-I129 HydrophobicContact CG1-CB 4.38Å; I99-I226 HydrophobicContact CD1-CG2 4.17Å; I99-V228 HydrophobicContact CG2-CG1 3.89Å; I99-V228 HydrophobicContact CG2-CG2 3.81Å; I99-V266 HydrophobicContact CD1-CG2 4.46Å; I99-V266 HydrophobicContact CG2-CB 4.41Å; I99-V266 HydrophobicContact CG2-CG1 4.25Å
100	H	98.9	Very high	97.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.6	168.7	-159.8	-62.7	0	0	0	111	I80 T83 F98 G102 F116 I129 V130 I131	I80-H100 HydrophobicContact CG2-CB 4.24Å; I80-H100 CarbonylContact O-C 3.55Å; I80-H100 WeakPolarHBondContact O-CA 3.42Å; T83-H100 WeakPolarHBondContact CG2-NE2 3.32Å; T83-H100 PolarHBondContact OG1-NE2 3.03Å; F98-H100 HydrophobicContact CE1-CB 3.76Å; F98-H100 HydrophobicContact CZ-CB 4.01Å; H100-G102 VanDerWaalsContact C-N 3.34Å; H100-G102 PolarHBondContact CE1-O 2.85Å; H100-G102 PolarHBondContact ND1-N 3.07Å; H100-G102 PolarHBondContact ND1-O 3.12Å; H100-G102 PolarHBondContact O-N 2.62Å; H100-F116 HydrophobicContact CB-CZ 4.28Å; H100-F116 AromaticContact CD2-CE2 3.56Å; H100-F116 AromaticContact CD2-CZ 3.54Å; H100-F116 AromaticContact CG-CZ 3.91Å; H100-F116 AromaticContact NE2-CE2 3.79Å; H100-I129 PolarHBondContact N-O 2.79Å; H100-V130 HydrophobicContact CB-CG1 4.39Å; H100-V130 HydrophobicContact CB-CG2 4.06Å; H100-I131 PolarHBondContact O-N 3Å; H100-I131 VanDerWaalsContact O-N 3.12Å
101	A	98.9	Very high	97.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	39.7	-173.9	0	0	0	0	0	114.9	I80 S81 V228 H230 V266	I80-A101 PolarHBondContact O-N 2.91Å; S81-A101 VanDerWaalsContact OG-C 3.26Å; S81-A101 PolarHBondContact OG-O 3.17Å; S81-A101 VanDerWaalsContact OG-O 3.05Å; A101-V228 HydrophobicContact CB-CG1 3.82Å; A101-H230 PolarHBondContact O-ND1 3.13Å; A101-V266 HydrophobicContact CB-CG1 4.24Å
102	G	98.7	Very high	98.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	91.4	173	177.3	0	0	0	0	0	115.3	S81 D82 H100 I131 A132	S81-G102 PolarHBondContact OG-O 3.02Å; D82-G102 PolarHBondContact N-O 3.22Å; H100-G102 VanDerWaalsContact C-N 3.34Å; H100-G102 PolarHBondContact CE1-O 2.85Å; H100-G102 PolarHBondContact ND1-N 3.07Å; H100-G102 PolarHBondContact ND1-O 3.12Å; H100-G102 PolarHBondContact O-N 2.62Å; G102-I131 VanDerWaalsContact CA-O 3.22Å; G102-I131 WeakPolarHBondContact CA-O 3.38Å; G102-I131 PolarHBondContact N-O 3.03Å; G102-A132 VanDerWaalsContact CA-C 3.47Å
103	D	98.8	Very high	98.1	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.011	11%	0.114	C	C	.	.			trans	55.9	49.9	-176.9	-76.9	3.8	0	0	0	112.6	D82 T83 H84 T105 G133 N134 H135 E136 H230	D82-D103 CarbonylContact C-O 2.95Å; D82-D103 WeakPolarHBondContact CA-O 3.43Å; D82-D103 HydrophobicContact CB-CB 4.35Å; T83-D103 PolarHBondContact N-O 2.66Å; H84-D103 IonicContact CE1-OD2 3.56Å; H84-D103 PolarHBondContact CE1-OD2 2.85Å; H84-D103 PolarHBondContact N-O 3.2Å; D103-T105 VanDerWaalsContact C-N 3.33Å; D103-G133 VanDerWaalsContact OD1-CA 3.22Å; D103-G133 WeakPolarHBondContact OD1-CA 3.42Å; D103-N134 PolarHBondContact OD1-N 2.84Å; D103-N134 PolarHBondContact OD2-OD1 3.08Å; D103-H135 HydrophobicContact CB-CB 4.45Å; D103-H135 WeakPolarHBondContact OD1-CB 3.44Å; D103-H135 IonicContact OD1-CD2 2.92Å; D103-H135 IonicContact OD1-CG 3.95Å; D103-H135 PolarHBondContact OD1-N 3.15Å; D103-H135 IonicContact OD2-CD2 2.77Å; D103-H135 PolarHBondContact OD2-CD2 2.84Å; D103-H135 IonicContact OD2-CG 3.59Å; D103-H135 IonicContact OD2-NE2 3.49Å; D103-E136 WeakPolarHBondContact CA-OE2 3.36Å; D103-E136 PolarHBondContact N-OE2 3.28Å; D103-H230 IonicContact OD1-CE1 2.72Å; D103-H230 IonicContact OD1-NE2 3.81Å; D103-H230 IonicContact OD2-CE1 3.66Å; D103-H230 PolarHBondContact OD2-CE1 2.95Å; D103-H230 VanDerWaalsContact OD2-CE1 3.3Å; D103-H230 IonicContact OD2-NE2 3.91Å; D103-H230 PolarHBondContact OD2-NE2 2.89Å
104	F	98.8	Very high	98.1	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.			trans	-83.7	-11.8	174.8	53.6	-95.7	0	0	0	113.1	S85 V113 F116 V130 I131 E136 F139 L173	S85-F104 PolarHBondContact N-O 2.8Å; F104-V113 HydrophobicContact CE2-CG1 4.47Å; F104-V113 HydrophobicContact CE2-CG2 4.34Å; F104-F116 HydrophobicContact CB-CD1 3.83Å; F104-F116 HydrophobicContact CB-CD2 3.62Å; F104-F116 HydrophobicContact CB-CE1 3.7Å; F104-F116 HydrophobicContact CB-CE2 3.49Å; F104-F116 VanDerWaalsContact CB-CE2 3.49Å; F104-F116 HydrophobicContact CB-CG 3.78Å; F104-F116 HydrophobicContact CB-CZ 3.53Å; F104-F116 HydrophobicContact CD1-CD1 4.49Å; F104-F116 HydrophobicContact CD1-CE1 4.08Å; F104-F116 HydrophobicContact CD1-CZ 4.45Å; F104-F116 HydrophobicContact CD2-CB 4.1Å; F104-F116 AromaticContact CD2-CD1 3.33Å; F104-F116 HydrophobicContact CD2-CD1 3.33Å; F104-F116 HydrophobicContact CD2-CD2 4.42Å; F104-F116 AromaticContact CD2-CE1 3.75Å; F104-F116 HydrophobicContact CD2-CE1 3.75Å; F104-F116 AromaticContact CD2-CG 3.7Å; F104-F116 HydrophobicContact CD2-CG 3.7Å; F104-F116 HydrophobicContact CD2-CZ 4.46Å; F104-F116 AromaticContact CE2-CD1 3.98Å; F104-F116 HydrophobicContact CE2-CD1 3.98Å; F104-F116 HydrophobicContact CE2-CE1 4.4Å; F104-F116 AromaticContact CG-CD1 3.65Å; F104-F116 HydrophobicContact CG-CD1 3.65Å; F104-F116 HydrophobicContact CG-CD2 4.35Å; F104-F116 AromaticContact CG-CE1 3.58Å; F104-F116 HydrophobicContact CG-CE1 3.58Å; F104-F116 HydrophobicContact CG-CE2 4.31Å; F104-F116 HydrophobicContact CG-CG 4.03Å; F104-F116 AromaticContact CG-CZ 3.94Å; F104-F116 HydrophobicContact CG-CZ 3.94Å; F104-V130 HydrophobicContact CD1-CG1 3.74Å; F104-V130 HydrophobicContact CE1-CG1 3.58Å; F104-V130 HydrophobicContact CZ-CG1 4.4Å; F104-I131 WeakPolarHBondContact CE1-O 3.41Å; F104-E136 HydrophobicContact CD1-CG 4.24Å; F104-E136 HydrophobicContact CD2-CG 4.39Å; F104-E136 HydrophobicContact CE1-CG 3.64Å; F104-E136 HydrophobicContact CE2-CG 3.79Å; F104-E136 HydrophobicContact CZ-CG 3.37Å; F104-E136 PolarHBondContact N-OE1 3.43Å; F104-F139 HydrophobicContact CE2-CE2 4.45Å; F104-F139 HydrophobicContact CE2-CZ 4.09Å; F104-F139 AromaticContact CZ-CE1 3.96Å; F104-F139 HydrophobicContact CZ-CE1 3.96Å; F104-F139 HydrophobicContact CZ-CE2 4.21Å; F104-F139 AromaticContact CZ-CZ 3.67Å; F104-F139 HydrophobicContact CZ-CZ 3.67Å; F104-L173 HydrophobicContact CE2-CD1 4.5Å; F104-L173 HydrophobicContact CE2-CD2 4.31Å; F104-L173 HydrophobicContact CZ-CD1 4Å
105	T	98.6	Very high	98.2	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	S	Bend	trans	-121.6	173.6	175.1	66.5	0	0	0	0	112.1	H84 S85 D103 G108 E112 V113 H135 E136	H84-T105 PolarHBondContact ND1-O 2.9Å; S85-T105 WeakPolarHBondContact OG-CA 3.12Å; D103-T105 VanDerWaalsContact C-N 3.33Å; T105-G108 WeakPolarHBondContact OG1-CA 3.39Å; T105-G108 PolarHBondContact OG1-N 3.23Å; T105-E112 HydrophobicContact CG2-CB 3.6Å; T105-V113 HydrophobicContact CG2-CG2 3.96Å; T105-H135 VanDerWaalsContact O-CB 3.25Å; T105-H135 WeakPolarHBondContact O-CB 3.35Å; T105-E136 WeakPolarHBondContact CB-OE1 3.44Å; T105-E136 PolarHBondContact N-OE1 2.97Å; T105-E136 PolarHBondContact OG1-OE1 3.05Å
106	E	97.3	Very high	98.2	Very high	50 Å²	50	23.2 Å²	23.2	23%	0.234	12%	0.121	C	C	.	.	S	Bend	trans	-91.4	-33.7	171	-64.1	-88	-165.6	0	0	111.9	H84 R86 E112 H135	H84-E106 HydrophobicContact CB-CG 4.36Å; R86-E106 IonicContact CZ-OE1 2.9Å; R86-E106 IonicContact NE-OE1 2.66Å; R86-E106 PolarHBondContact NE-OE1 2.94Å; R86-E106 IonicContact NH2-OE1 3.8Å; R86-E106 PolarHBondContact NH2-OE1 3.41Å; E106-E112 VanDerWaalsContact CB-OE1 3.28Å; E106-E112 WeakPolarHBondContact CB-OE1 3.45Å; E106-E112 PolarHBondContact N-OE1 3.38Å; E106-H135 PolarHBondContact O-ND1 2.97Å
107	L	96.6	Very high	98.3	Very high	35 Å²	35	22.3 Å²	22.3	18%	0.183	12%	0.116	C	C	.	.	S	Bend	trans	-141.6	9	-177.9	-66.1	174.9	0	0	0	113.7	L109 E112 H135 L137 F155 W203	L107-L109 VanDerWaalsContact C-N 3.27Å; L107-L109 HydrophobicContact CB-CD2 4.43Å; L107-L109 HydrophobicContact CB-CG 4.12Å; L107-L109 PolarHBondContact O-N 3.49Å; L107-E112 PolarHBondContact N-OE2 2.89Å; L107-E112 VanDerWaalsContact N-OE2 3.09Å; L107-H135 CarbonylContact C-O 3.38Å; L107-H135 WeakPolarHBondContact CA-O 3.45Å; L107-L137 HydrophobicContact CD2-CD1 3.96Å; L107-F155 HydrophobicContact CD2-CD1 3.62Å; L107-F155 HydrophobicContact CD2-CE1 3.95Å; L107-W203 HydrophobicContact CD2-CH2 4.11Å; L107-W203 HydrophobicContact CD2-CZ3 3.92Å
108	G	97.4	Very high	98.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.			trans	71.5	18	-175.9	0	0	0	0	0	113.5	T105 E112 H135 T138	T105-G108 WeakPolarHBondContact OG1-CA 3.39Å; T105-G108 PolarHBondContact OG1-N 3.23Å; G108-E112 PolarHBondContact N-OE2 3.03Å; G108-H135 PolarHBondContact N-O 2.76Å; G108-T138 WeakPolarHBondContact O-CB 3.31Å; G108-T138 WeakPolarHBondContact O-CG2 3.37Å; G108-T138 PolarHBondContact O-OG1 2.87Å
109	L	96.8	Very high	98.3	Very high	35 Å²	35	27.3 Å²	27.3	18%	0.183	14%	0.14	C	C	.	.			trans	-64.2	141	-176.7	-57.8	178.3	0	0	0	110.1	L107 S111 E112 V113 L161	L107-L109 VanDerWaalsContact C-N 3.27Å; L107-L109 HydrophobicContact CB-CD2 4.43Å; L107-L109 HydrophobicContact CB-CG 4.12Å; L107-L109 PolarHBondContact O-N 3.49Å; L109-S111 PolarHBondContact O-N 3.02Å; L109-E112 HydrophobicContact CB-CG 4.06Å; L109-E112 PolarHBondContact N-OE2 3.05Å; L109-E112 VanDerWaalsContact N-OE2 3.08Å; L109-E112 WeakPolarHBondContact O-CA 3.38Å; L109-E112 WeakPolarHBondContact O-CB 3.48Å; L109-E112 PolarHBondContact O-N 3.18Å; L109-V113 WeakPolarHBondContact O-CG2 3.3Å; L109-V113 PolarHBondContact O-N 2.77Å; L109-L161 HydrophobicContact CD2-CD1 4.04Å
110	P	97.3	Very high	98.3	Very high	34 Å²	34	27.3 Å²	27.3	22%	0.221	14%	0.14	C	C	.	.	H	α-helix	trans	-52.2	-33.3	-178.9	-30.8	36.2	0	0	0	114.3	K114 N165 V169 L172	P110-K114 WeakPolarHBondContact O-CB 3.42Å; P110-K114 PolarHBondContact O-N 2.89Å; P110-N165 VanDerWaalsContact CG-O 3.28Å; P110-N165 WeakPolarHBondContact CG-O 3.22Å; P110-V169 HydrophobicContact CG-CG2 4.44Å; P110-L172 HydrophobicContact CB-CD1 3.93Å
111	S	97.2	Very high	98.2	Very high	83 Å²	83	29.2 Å²	29.2	58%	0.58	16%	0.16	S	C	*	.	H	α-helix	trans	-66.6	-37	174.5	54.1	0	0	0	0	113.5	L109 K115	L109-S111 PolarHBondContact O-N 3.02Å; S111-K115 WeakPolarHBondContact O-CB 3.31Å; S111-K115 PolarHBondContact O-N 2.9Å
112	E	98.5	Very high	98.2	Very high	29 Å²	29	34.2 Å²	34.2	14%	0.136	19%	0.191	C	C	.	.	H	α-helix	trans	-70.5	-43.4	176.3	-61.9	-176.7	107.1	0	0	110.5	S85 T105 E106 L107 G108 L109 K114 K115 F116	S85-E112 PolarHBondContact OG-OE1 3.21Å; T105-E112 HydrophobicContact CG2-CB 3.6Å; E106-E112 VanDerWaalsContact CB-OE1 3.28Å; E106-E112 WeakPolarHBondContact CB-OE1 3.45Å; E106-E112 PolarHBondContact N-OE1 3.38Å; L107-E112 PolarHBondContact N-OE2 2.89Å; L107-E112 VanDerWaalsContact N-OE2 3.09Å; G108-E112 PolarHBondContact N-OE2 3.03Å; L109-E112 HydrophobicContact CB-CG 4.06Å; L109-E112 PolarHBondContact N-OE2 3.05Å; L109-E112 VanDerWaalsContact N-OE2 3.08Å; L109-E112 WeakPolarHBondContact O-CA 3.38Å; L109-E112 WeakPolarHBondContact O-CB 3.48Å; L109-E112 PolarHBondContact O-N 3.18Å; E112-K114 VanDerWaalsContact C-N 3.29Å; E112-K114 PolarHBondContact O-N 3.4Å; E112-K115 WeakPolarHBondContact O-CB 3.4Å; E112-K115 PolarHBondContact O-N 3.14Å; E112-K115 VanDerWaalsContact O-N 3.15Å; E112-F116 WeakPolarHBondContact O-CB 3.39Å; E112-F116 PolarHBondContact O-N 2.83Å
113	V	98.7	Very high	98.2	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-59.7	-43.4	175	-177.5	0	0	0	0	110.3	F104 T105 L109 F116 N117 F139 V169 L172 L173	F104-V113 HydrophobicContact CE2-CG1 4.47Å; F104-V113 HydrophobicContact CE2-CG2 4.34Å; T105-V113 HydrophobicContact CG2-CG2 3.96Å; L109-V113 WeakPolarHBondContact O-CG2 3.3Å; L109-V113 PolarHBondContact O-N 2.77Å; V113-F116 PolarHBondContact O-N 3.18Å; V113-N117 WeakPolarHBondContact O-CB 3.45Å; V113-N117 PolarHBondContact O-N 2.72Å; V113-F139 HydrophobicContact CG1-CE2 4.47Å; V113-F139 HydrophobicContact CG1-CZ 4.04Å; V113-F139 HydrophobicContact CG2-CE2 3.65Å; V113-F139 HydrophobicContact CG2-CZ 4.04Å; V113-V169 HydrophobicContact CB-CG2 4.34Å; V113-V169 HydrophobicContact CG1-CG2 4.44Å; V113-V169 HydrophobicContact CG2-CG2 3.81Å; V113-L172 HydrophobicContact CB-CD1 4.3Å; V113-L172 HydrophobicContact CG1-CB 3.81Å; V113-L172 HydrophobicContact CG1-CD1 4.3Å; V113-L173 HydrophobicContact CG1-CD2 3.79Å; V113-L173 HydrophobicContact CG1-CG 3.92Å
114	K	98.4	Very high	98.1	Very high	108 Å²	108	39.9 Å²	39.9	47%	0.47	23%	0.227	S	C	.	.	H	α-helix	trans	-62.4	-46.9	174	-168.3	-166.6	180	-51.7	0	111.6	P110 E112 F116 N117 D118	P110-K114 WeakPolarHBondContact O-CB 3.42Å; P110-K114 PolarHBondContact O-N 2.89Å; E112-K114 VanDerWaalsContact C-N 3.29Å; E112-K114 PolarHBondContact O-N 3.4Å; K114-F116 VanDerWaalsContact C-N 3.3Å; K114-F116 PolarHBondContact O-N 2.87Å; K114-N117 PolarHBondContact O-N 3.13Å; K114-D118 IonicContact NZ-OD1 3.41Å; K114-D118 PolarHBondContact NZ-OD1 3.49Å; K114-D118 IonicContact NZ-OD2 3.12Å; K114-D118 PolarHBondContact NZ-OD2 3.27Å; K114-D118 WeakPolarHBondContact O-CB 3.45Å; K114-D118 PolarHBondContact O-N 3Å
115	K	98.7	Very high	98	Very high	82 Å²	82	40 Å²	40	36%	0.357	23%	0.228	S	C	.	.	H	α-helix	trans	-56.8	-46.6	177.2	-179	-172.7	176.9	-170.3	0	110.8	S85 D88 S111 E112 D118 W119	S85-K115 PolarHBondContact O-NZ 2.98Å; D88-K115 IonicContact OD1-NZ 3.61Å; D88-K115 IonicContact OD2-NZ 3.93Å; D88-K115 PolarHBondContact OD2-NZ 3.41Å; S111-K115 WeakPolarHBondContact O-CB 3.31Å; S111-K115 PolarHBondContact O-N 2.9Å; E112-K115 WeakPolarHBondContact O-CB 3.4Å; E112-K115 PolarHBondContact O-N 3.14Å; E112-K115 VanDerWaalsContact O-N 3.15Å; K115-D118 PolarHBondContact O-N 3.12Å; K115-W119 PolarHBondContact O-N 3.21Å
116	F	98.8	Very high	97.7	Very high	3 Å²	3	47.5 Å²	47.5	1%	0.013	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-45.7	177.3	177.5	-110.2	0	0	0	111.7	T87 H100 F104 E112 V113 K114 D118 W119 L120 V130 L173	T87-F116 HydrophobicContact CG2-CD2 4.14Å; T87-F116 HydrophobicContact CG2-CE2 4.46Å; H100-F116 HydrophobicContact CB-CZ 4.28Å; H100-F116 AromaticContact CD2-CE2 3.56Å; H100-F116 AromaticContact CD2-CZ 3.54Å; H100-F116 AromaticContact CG-CZ 3.91Å; H100-F116 AromaticContact NE2-CE2 3.79Å; F104-F116 HydrophobicContact CB-CD1 3.83Å; F104-F116 HydrophobicContact CB-CD2 3.62Å; F104-F116 HydrophobicContact CB-CE1 3.7Å; F104-F116 HydrophobicContact CB-CE2 3.49Å; F104-F116 VanDerWaalsContact CB-CE2 3.49Å; F104-F116 HydrophobicContact CB-CG 3.78Å; F104-F116 HydrophobicContact CB-CZ 3.53Å; F104-F116 HydrophobicContact CD1-CD1 4.49Å; F104-F116 HydrophobicContact CD1-CE1 4.08Å; F104-F116 HydrophobicContact CD1-CZ 4.45Å; F104-F116 HydrophobicContact CD2-CB 4.1Å; F104-F116 AromaticContact CD2-CD1 3.33Å; F104-F116 HydrophobicContact CD2-CD1 3.33Å; F104-F116 HydrophobicContact CD2-CD2 4.42Å; F104-F116 AromaticContact CD2-CE1 3.75Å; F104-F116 HydrophobicContact CD2-CE1 3.75Å; F104-F116 AromaticContact CD2-CG 3.7Å; F104-F116 HydrophobicContact CD2-CG 3.7Å; F104-F116 HydrophobicContact CD2-CZ 4.46Å; F104-F116 AromaticContact CE2-CD1 3.98Å; F104-F116 HydrophobicContact CE2-CD1 3.98Å; F104-F116 HydrophobicContact CE2-CE1 4.4Å; F104-F116 AromaticContact CG-CD1 3.65Å; F104-F116 HydrophobicContact CG-CD1 3.65Å; F104-F116 HydrophobicContact CG-CD2 4.35Å; F104-F116 AromaticContact CG-CE1 3.58Å; F104-F116 HydrophobicContact CG-CE1 3.58Å; F104-F116 HydrophobicContact CG-CE2 4.31Å; F104-F116 HydrophobicContact CG-CG 4.03Å; F104-F116 AromaticContact CG-CZ 3.94Å; F104-F116 HydrophobicContact CG-CZ 3.94Å; E112-F116 WeakPolarHBondContact O-CB 3.39Å; E112-F116 PolarHBondContact O-N 2.83Å; V113-F116 PolarHBondContact O-N 3.18Å; K114-F116 VanDerWaalsContact C-N 3.3Å; K114-F116 PolarHBondContact O-N 2.87Å; F116-D118 VanDerWaalsContact C-N 3.34Å; F116-D118 PolarHBondContact O-N 2.86Å; F116-W119 AromaticContact CD2-CE3 3.96Å; F116-W119 HydrophobicContact CD2-CE3 3.96Å; F116-W119 HydrophobicContact CD2-CZ3 4.3Å; F116-W119 AromaticContact CE2-CE3 3.76Å; F116-W119 HydrophobicContact CE2-CE3 3.76Å; F116-W119 AromaticContact CE2-CZ3 3.66Å; F116-W119 HydrophobicContact CE2-CZ3 3.66Å; F116-W119 HydrophobicContact CZ-CZ3 4.42Å; F116-W119 WeakPolarHBondContact O-CB 3.35Å; F116-W119 PolarHBondContact O-N 2.83Å; F116-L120 HydrophobicContact CD1-CD1 3.94Å; F116-L120 HydrophobicContact CD1-CG 4.33Å; F116-L120 HydrophobicContact CE1-CD1 3.48Å; F116-L120 VanDerWaalsContact CE1-CD1 3.48Å; F116-L120 HydrophobicContact CE1-CD2 4.31Å; F116-L120 HydrophobicContact CE1-CG 3.97Å; F116-L120 HydrophobicContact CE2-CD2 4.28Å; F116-L120 HydrophobicContact CE2-CG 4.36Å; F116-L120 HydrophobicContact CZ-CD1 3.93Å; F116-L120 HydrophobicContact CZ-CD2 3.88Å; F116-L120 HydrophobicContact CZ-CG 3.98Å; F116-L120 WeakPolarHBondContact O-CG 3.5Å; F116-L120 PolarHBondContact O-N 3.06Å; F116-V130 HydrophobicContact CE1-CG1 4.08Å; F116-V130 HydrophobicContact CE1-CG2 4.12Å; F116-V130 HydrophobicContact CZ-CG2 4.3Å; F116-L173 HydrophobicContact CD1-CD2 3.81Å; F116-L173 HydrophobicContact CE1-CD2 4.23Å
117	N	98.8	Very high	97.7	Very high	8 Å²	8	46.8 Å²	46.8	4%	0.043	27%	0.265	C	S	.	.	H	α-helix	trans	-61.6	-40.1	176.3	-175.8	69.8	0	0	0	113	V113 K114 W119 L120 G121 L172 L173 T174 N175	V113-N117 WeakPolarHBondContact O-CB 3.45Å; V113-N117 PolarHBondContact O-N 2.72Å; K114-N117 PolarHBondContact O-N 3.13Å; N117-W119 VanDerWaalsContact C-N 3.33Å; N117-L120 WeakPolarHBondContact O-CB 3.37Å; N117-L120 PolarHBondContact O-N 3Å; N117-G121 PolarHBondContact O-N 3.18Å; N117-G121 VanDerWaalsContact O-N 3.07Å; N117-L172 WeakPolarHBondContact CB-O 3.33Å; N117-L172 PolarHBondContact ND2-O 3.09Å; N117-L172 PolarHBondContact OD1-O 2.88Å; N117-L173 HydrophobicContact CB-CD2 4.31Å; N117-L173 VanDerWaalsContact OD1-C 3.29Å; N117-L173 WeakPolarHBondContact OD1-CA 3.37Å; N117-T174 PolarHBondContact ND2-OG1 3Å; N117-T174 PolarHBondContact OD1-N 3.03Å; N117-N175 PolarHBondContact ND2-ND2 3.04Å; N117-N175 VanDerWaalsContact ND2-ND2 3.19Å; N117-N175 PolarHBondContact O-ND2 3.48Å; N117-N175 WeakPolarHBondContact OD1-CB 3.49Å; N117-N175 PolarHBondContact OD1-N 2.81Å
118	D	98.7	Very high	97.8	Very high	76 Å²	76	46.4 Å²	46.4	41%	0.406	26%	0.262	S	S	.	.	H	α-helix	trans	-62	-43.5	176	-66.7	-18.3	0	0	0	109.9	K114 K115 F116 G121 T122	K114-D118 IonicContact NZ-OD1 3.41Å; K114-D118 PolarHBondContact NZ-OD1 3.49Å; K114-D118 IonicContact NZ-OD2 3.12Å; K114-D118 PolarHBondContact NZ-OD2 3.27Å; K114-D118 WeakPolarHBondContact O-CB 3.45Å; K114-D118 PolarHBondContact O-N 3Å; K115-D118 PolarHBondContact O-N 3.12Å; F116-D118 VanDerWaalsContact C-N 3.34Å; F116-D118 PolarHBondContact O-N 2.86Å; D118-G121 PolarHBondContact O-N 2.99Å; D118-T122 PolarHBondContact O-N 2.93Å
119	W	98.7	Very high	97.9	Very high	28 Å²	28	46.4 Å²	46.4	11%	0.106	26%	0.262	C	S	.	.	H	α-helix	trans	-60.8	-45.9	173.8	173.6	79	0	0	0	112.3	T87 M92 F98 K115 F116 N117 G121 T122 L123	T87-W119 HydrophobicContact CG2-CD2 3.62Å; T87-W119 HydrophobicContact CG2-CE3 3.65Å; T87-W119 HydrophobicContact CG2-CG 4.11Å; T87-W119 HydrophobicContact CG2-CH2 4.17Å; T87-W119 HydrophobicContact CG2-CZ2 4.17Å; T87-W119 HydrophobicContact CG2-CZ3 3.93Å; M92-W119 HydrophobicContact CG-CZ2 3.9Å; M92-W119 HydrophobicContact SD-CH2 4.11Å; M92-W119 HydrophobicContact SD-CZ2 3.82Å; F98-W119 AromaticContact CE2-CH2 3.98Å; F98-W119 HydrophobicContact CE2-CH2 3.98Å; F98-W119 HydrophobicContact CE2-CZ3 4.33Å; F98-W119 AromaticContact CZ-CH2 3.86Å; F98-W119 HydrophobicContact CZ-CH2 3.86Å; F98-W119 AromaticContact CZ-CZ3 3.77Å; F98-W119 HydrophobicContact CZ-CZ3 3.77Å; K115-W119 PolarHBondContact O-N 3.21Å; F116-W119 AromaticContact CD2-CE3 3.96Å; F116-W119 HydrophobicContact CD2-CE3 3.96Å; F116-W119 HydrophobicContact CD2-CZ3 4.3Å; F116-W119 AromaticContact CE2-CE3 3.76Å; F116-W119 HydrophobicContact CE2-CE3 3.76Å; F116-W119 AromaticContact CE2-CZ3 3.66Å; F116-W119 HydrophobicContact CE2-CZ3 3.66Å; F116-W119 HydrophobicContact CZ-CZ3 4.42Å; F116-W119 WeakPolarHBondContact O-CB 3.35Å; F116-W119 PolarHBondContact O-N 2.83Å; N117-W119 VanDerWaalsContact C-N 3.33Å; W119-G121 PolarHBondContact O-N 3.02Å; W119-T122 WeakPolarHBondContact O-CB 3.47Å; W119-T122 PolarHBondContact O-N 3.31Å; W119-T122 PolarHBondContact O-OG1 2.8Å; W119-L123 HydrophobicContact CD2-CD1 4.32Å; W119-L123 HydrophobicContact CE3-CD1 4.1Å; W119-L123 HydrophobicContact CH2-CD1 3.68Å; W119-L123 HydrophobicContact CZ2-CD1 3.89Å; W119-L123 HydrophobicContact CZ2-CD2 3.99Å; W119-L123 HydrophobicContact CZ2-CG 4.43Å; W119-L123 HydrophobicContact CZ3-CD1 3.78Å
120	L	98.7	Very high	98	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-55.7	-37.1	175.5	-71.4	177.6	0	0	0	112.4	F98 F116 N117 T122 L123 K128 V130 N175 C176	F98-L120 HydrophobicContact CD1-CD2 4.12Å; F98-L120 HydrophobicContact CE1-CD2 3.46Å; F98-L120 VanDerWaalsContact CE1-CD2 3.46Å; F98-L120 HydrophobicContact CZ-CD2 3.97Å; F116-L120 HydrophobicContact CD1-CD1 3.94Å; F116-L120 HydrophobicContact CD1-CG 4.33Å; F116-L120 HydrophobicContact CE1-CD1 3.48Å; F116-L120 VanDerWaalsContact CE1-CD1 3.48Å; F116-L120 HydrophobicContact CE1-CD2 4.31Å; F116-L120 HydrophobicContact CE1-CG 3.97Å; F116-L120 HydrophobicContact CE2-CD2 4.28Å; F116-L120 HydrophobicContact CE2-CG 4.36Å; F116-L120 HydrophobicContact CZ-CD1 3.93Å; F116-L120 HydrophobicContact CZ-CD2 3.88Å; F116-L120 HydrophobicContact CZ-CG 3.98Å; F116-L120 WeakPolarHBondContact O-CG 3.5Å; F116-L120 PolarHBondContact O-N 3.06Å; N117-L120 WeakPolarHBondContact O-CB 3.37Å; N117-L120 PolarHBondContact O-N 3Å; L120-T122 PolarHBondContact O-N 3.43Å; L120-L123 HydrophobicContact CD2-CD1 4.09Å; L120-L123 WeakPolarHBondContact O-CB 3.36Å; L120-L123 PolarHBondContact O-N 2.89Å; L120-L123 VanDerWaalsContact O-N 3.15Å; L120-K128 HydrophobicContact CD2-CG 4.44Å; L120-K128 WeakPolarHBondContact O-CE 3.4Å; L120-V130 HydrophobicContact CD1-CG2 4.16Å; L120-N175 HydrophobicContact CB-CB 3.87Å; L120-C176 HydrophobicContact CD1-CB 3.96Å
121	G	98.3	Very high	98.1	Very high	41 Å²	41	43.1 Å²	43.1	42%	0.423	24%	0.242	S	C	.	.	H	α-helix	trans	-65.5	-21.2	177.3	0	0	0	0	0	114.1	N117 D118 W119 N175	N117-G121 PolarHBondContact O-N 3.18Å; N117-G121 VanDerWaalsContact O-N 3.07Å; D118-G121 PolarHBondContact O-N 2.99Å; W119-G121 PolarHBondContact O-N 3.02Å; G121-N175 WeakPolarHBondContact CA-ND2 3.48Å
122	T	98	Very high	98.2	Very high	104 Å²	104	39.1 Å²	39.1	64%	0.638	22%	0.215	S	C	*	.	H	α-helix	trans	-83.8	-16.1	174.7	72.7	0	0	0	0	113.3	D118 W119 L120	D118-T122 PolarHBondContact O-N 2.93Å; W119-T122 WeakPolarHBondContact O-CB 3.47Å; W119-T122 PolarHBondContact O-N 3.31Å; W119-T122 PolarHBondContact O-OG1 2.8Å; L120-T122 PolarHBondContact O-N 3.43Å
123	L	98.3	Very high	98.2	Very high	14 Å²	14	37.8 Å²	37.8	7%	0.073	21%	0.208	C	C	.	.	S	Bend	trans	-79.4	140.4	-174.7	-57.5	-177.4	0	0	0	111.6	M92 F98 W119 L120 Y125 K128	M92-L123 HydrophobicContact CB-CD2 4.23Å; M92-L123 HydrophobicContact CG-CD2 3.72Å; F98-L123 HydrophobicContact CD2-CD1 4.24Å; F98-L123 HydrophobicContact CE2-CD1 4.07Å; F98-L123 HydrophobicContact CZ-CD1 4.31Å; W119-L123 HydrophobicContact CD2-CD1 4.32Å; W119-L123 HydrophobicContact CE3-CD1 4.1Å; W119-L123 HydrophobicContact CH2-CD1 3.68Å; W119-L123 HydrophobicContact CZ2-CD1 3.89Å; W119-L123 HydrophobicContact CZ2-CD2 3.99Å; W119-L123 HydrophobicContact CZ2-CG 4.43Å; W119-L123 HydrophobicContact CZ3-CD1 3.78Å; L120-L123 HydrophobicContact CD2-CD1 4.09Å; L120-L123 WeakPolarHBondContact O-CB 3.36Å; L120-L123 PolarHBondContact O-N 2.89Å; L120-L123 VanDerWaalsContact O-N 3.15Å; L123-Y125 HydrophobicContact CB-CD2 3.72Å; L123-Y125 HydrophobicContact CB-CE2 4Å; L123-Y125 HydrophobicContact CD1-CD2 4.15Å; L123-Y125 HydrophobicContact CD1-CE2 4.05Å; L123-Y125 HydrophobicContact CG-CE2 4.46Å; L123-Y125 PolarHBondContact O-N 3.05Å; L123-K128 PolarHBondContact O-NZ 3.05Å; L123-K128 VanDerWaalsContact O-NZ 3.15Å
124	P	97	Very high	98.1	Very high	108 Å²	108	37.8 Å²	37.8	70%	0.701	21%	0.209	S	C	*	.			trans	-78.2	-1.6	-172.2	33.4	-38	0	0	0	114.4
125	Y	98.1	Very high	98.1	Very high	3 Å²	3	33.4 Å²	33.4	1%	0.012	19%	0.19	C	C	.	.			trans	-74.6	132.7	-177.2	-44.9	-64.4	0	0	0	110.8	V78 M92 P93 G95 F98 L123 I127 K128	V78-Y125 HydrophobicContact CB-CE1 4.46Å; V78-Y125 HydrophobicContact CG2-CE1 3.77Å; M92-Y125 WeakPolarHBondContact CB-OH 3.45Å; M92-Y125 HydrophobicContact CE-CE2 3.89Å; M92-Y125 WeakPolarHBondContact CE-OH 3.45Å; P93-Y125 VanDerWaalsContact O-CE1 3.32Å; P93-Y125 WeakPolarHBondContact O-CE1 3.48Å; P93-Y125 PolarHBondContact O-OH 3.42Å; G95-Y125 WeakPolarHBondContact O-CD1 3.5Å; F98-Y125 HydrophobicContact CB-CD2 3.49Å; F98-Y125 VanDerWaalsContact CB-CD2 3.49Å; F98-Y125 HydrophobicContact CB-CE2 4.07Å; F98-Y125 HydrophobicContact CB-CG 3.85Å; F98-Y125 AromaticContact CD2-CD2 3.98Å; F98-Y125 HydrophobicContact CD2-CD2 3.98Å; F98-Y125 AromaticContact CD2-CE2 3.77Å; F98-Y125 HydrophobicContact CD2-CE2 3.77Å; F98-Y125 AromaticContact CG-CD2 4Å; F98-Y125 HydrophobicContact CG-CD2 4Å; F98-Y125 HydrophobicContact CG-CE2 4.27Å; L123-Y125 HydrophobicContact CB-CD2 3.72Å; L123-Y125 HydrophobicContact CB-CE2 4Å; L123-Y125 HydrophobicContact CD1-CD2 4.15Å; L123-Y125 HydrophobicContact CD1-CE2 4.05Å; L123-Y125 HydrophobicContact CG-CE2 4.46Å; L123-Y125 PolarHBondContact O-N 3.05Å; Y125-I127 VanDerWaalsContact C-N 3.29Å; Y125-I127 PolarHBondContact O-N 2.84Å; Y125-K128 VanDerWaalsContact O-CD 3.24Å; Y125-K128 WeakPolarHBondContact O-CD 3.14Å; Y125-K128 WeakPolarHBondContact O-CE 3.22Å; Y125-K128 PolarHBondContact O-NZ 2.99Å
126	D	90.9	Very high	98.1	Very high	157 Å²	157	29.5 Å²	29.5	84%	0.84	17%	0.173	S	C	*	.	S	Bend	trans	-70.2	-31.1	178.3	-65.7	-41.6	0	0	0	112.2
127	I	98.5	Very high	98	Very high	35 Å²	35	29.4 Å²	29.4	18%	0.179	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124.1	-176.6	-61.3	153.5	0	0	0	108.7	V97 F98 Y125 I129 I177 V186 R187	V97-I127 HydrophobicContact CG1-CB 4.36Å; V97-I127 HydrophobicContact CG1-CG2 3.95Å; V97-I127 HydrophobicContact CG2-CB 4.31Å; V97-I127 HydrophobicContact CG2-CD1 4.24Å; F98-I127 PolarHBondContact N-O 2.78Å; Y125-I127 VanDerWaalsContact C-N 3.29Å; Y125-I127 PolarHBondContact O-N 2.84Å; I127-I129 HydrophobicContact CG2-CD1 3.82Å; I127-I129 HydrophobicContact CG2-CG1 4.26Å; I127-I177 HydrophobicContact CG2-CD1 4.33Å; I127-V186 HydrophobicContact CD1-CB 4.11Å; I127-V186 HydrophobicContact CG2-CB 4.21Å; I127-V186 HydrophobicContact CG2-CG1 3.95Å; I127-V186 HydrophobicContact CG2-CG2 4.25Å; I127-R187 HydrophobicContact CD1-CG 3.82Å
128	K	98.8	Very high	97.9	Very high	26 Å²	26	29 Å²	29	11%	0.113	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	123.5	173.3	-63.9	83.7	163.2	-169.5	0	108.4	F98 L120 L123 Y125 N175 C176 I177	F98-K128 HydrophobicContact CB-CB 4.41Å; F98-K128 HydrophobicContact CB-CG 4.05Å; F98-K128 HydrophobicContact CD1-CB 3.84Å; F98-K128 HydrophobicContact CD1-CG 3.88Å; F98-K128 HydrophobicContact CG-CG 4.26Å; F98-K128 CarbonylContact O-C 3.54Å; F98-K128 WeakPolarHBondContact O-CA 3.38Å; L120-K128 HydrophobicContact CD2-CG 4.44Å; L120-K128 WeakPolarHBondContact O-CE 3.4Å; L123-K128 PolarHBondContact O-NZ 3.05Å; L123-K128 VanDerWaalsContact O-NZ 3.15Å; Y125-K128 VanDerWaalsContact O-CD 3.24Å; Y125-K128 WeakPolarHBondContact O-CD 3.14Å; Y125-K128 WeakPolarHBondContact O-CE 3.22Å; Y125-K128 PolarHBondContact O-NZ 2.99Å; K128-N175 WeakPolarHBondContact CD-O 3.2Å; K128-C176 HydrophobicContact CB-CB 3.66Å; K128-C176 CarbonylContact O-C 3.42Å; K128-C176 WeakPolarHBondContact O-CA 3.3Å; K128-C176 VanDerWaalsContact O-CB 3.28Å; K128-C176 WeakPolarHBondContact O-CB 3.5Å; K128-I177 PolarHBondContact O-N 2.91Å
129	I	98.9	Very high	97.9	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	131.9	175.2	-51.6	-55.6	0	0	0	108.1	V97 F98 I99 H100 I127 I177 L179 V184 V186 I191	V97-I129 HydrophobicContact CG1-CG1 4.27Å; F98-I129 PolarHBondContact O-N 3.12Å; I99-I129 CarbonylContact C-O 3.6Å; I99-I129 WeakPolarHBondContact CA-O 3.44Å; I99-I129 HydrophobicContact CG1-CB 4.38Å; H100-I129 PolarHBondContact N-O 2.79Å; I127-I129 HydrophobicContact CG2-CD1 3.82Å; I127-I129 HydrophobicContact CG2-CG1 4.26Å; I129-I177 WeakPolarHBondContact CA-O 3.17Å; I129-I177 HydrophobicContact CD1-CB 3.86Å; I129-I177 HydrophobicContact CD1-CD1 3.84Å; I129-I177 HydrophobicContact CD1-CG1 4.4Å; I129-I177 HydrophobicContact CD1-CG2 4.35Å; I129-L179 HydrophobicContact CG2-CD1 3.6Å; I129-L179 HydrophobicContact CG2-CG 4.08Å; I129-V184 HydrophobicContact CD1-CG1 3.84Å; I129-V186 HydrophobicContact CD1-CG1 4.48Å; I129-I191 HydrophobicContact CG1-CD1 4.2Å; I129-I191 HydrophobicContact CG2-CG2 4.35Å
130	V	98.9	Very high	97.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	136.1	-179	178.4	0	0	0	0	109.1	H100 F104 F116 L120 C176 I177 Y178 L179	H100-V130 HydrophobicContact CB-CG1 4.39Å; H100-V130 HydrophobicContact CB-CG2 4.06Å; F104-V130 HydrophobicContact CD1-CG1 3.74Å; F104-V130 HydrophobicContact CE1-CG1 3.58Å; F104-V130 HydrophobicContact CZ-CG1 4.4Å; F116-V130 HydrophobicContact CE1-CG1 4.08Å; F116-V130 HydrophobicContact CE1-CG2 4.12Å; F116-V130 HydrophobicContact CZ-CG2 4.3Å; L120-V130 HydrophobicContact CD1-CG2 4.16Å; V130-C176 HydrophobicContact CB-CB 4.48Å; V130-C176 HydrophobicContact CG2-CB 3.75Å; V130-C176 VanDerWaalsContact CG2-SG 3.59Å; V130-I177 PolarHBondContact N-O 3.41Å; V130-Y178 HydrophobicContact CG1-CD2 4.38Å; V130-Y178 CarbonylContact O-C 3.55Å; V130-Y178 WeakPolarHBondContact O-CA 3.42Å; V130-L179 PolarHBondContact O-N 2.93Å
131	I	98.9	Very high	97.5	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	162.5	161.5	65.7	163.9	0	0	0	109	H100 G102 F104 L179 V228 H230	H100-I131 PolarHBondContact O-N 3Å; H100-I131 VanDerWaalsContact O-N 3.12Å; G102-I131 VanDerWaalsContact CA-O 3.22Å; G102-I131 WeakPolarHBondContact CA-O 3.38Å; G102-I131 PolarHBondContact N-O 3.03Å; F104-I131 WeakPolarHBondContact CE1-O 3.41Å; I131-L179 HydrophobicContact CG2-CB 4.1Å; I131-L179 WeakPolarHBondContact CG2-O 3.46Å; I131-V228 HydrophobicContact CD1-CG1 3.8Å; I131-V228 HydrophobicContact CG1-CG1 3.94Å; I131-V228 HydrophobicContact CG2-CB 4.25Å; I131-V228 HydrophobicContact CG2-CG1 4.1Å; I131-H230 HydrophobicContact CD1-CB 4.26Å; I131-H230 VanDerWaalsContact CD1-N 3.33Å
132	A	98.9	Very high	97.2	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.181	C	C	.	.			trans	-77.2	160	166.7	0	0	0	0	0	111.5	G102 E136 F139 Y178 P195 F205	G102-A132 VanDerWaalsContact CA-C 3.47Å; A132-E136 HydrophobicContact CB-CB 3.82Å; A132-E136 HydrophobicContact CB-CG 4.14Å; A132-F139 HydrophobicContact CB-CB 4.41Å; A132-F139 HydrophobicContact CB-CD1 4.31Å; A132-F139 HydrophobicContact CB-CG 4.49Å; A132-Y178 HydrophobicContact CB-CE2 4.13Å; A132-Y178 VanDerWaalsContact CB-OH 3.29Å; A132-Y178 WeakPolarHBondContact CB-OH 3.37Å; A132-P195 HydrophobicContact CB-CB 4.01Å; A132-P195 WeakPolarHBondContact O-CA 3.5Å; A132-P195 WeakPolarHBondContact O-CB 3.5Å; A132-F205 HydrophobicContact CB-CD2 4.37Å; A132-F205 HydrophobicContact CB-CE2 3.64Å; A132-F205 HydrophobicContact CB-CZ 3.98Å
133	G	98.6	Very high	96.9	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.			trans	-122.8	-165.3	164.4	0	0	0	0	0	111	D103 H135 E136 F205 H230	D103-G133 VanDerWaalsContact OD1-CA 3.22Å; D103-G133 WeakPolarHBondContact OD1-CA 3.42Å; G133-H135 VanDerWaalsContact C-N 3.28Å; G133-H135 PolarHBondContact O-N 2.75Å; G133-E136 PolarHBondContact N-OE2 2.88Å; G133-E136 PolarHBondContact O-N 2.86Å; G133-F205 VanDerWaalsContact O-CD2 3.25Å; G133-F205 WeakPolarHBondContact O-CD2 3.5Å; G133-H230 VanDerWaalsContact CA-CD2 3.46Å; G133-H230 WeakPolarHBondContact CA-CD2 3.47Å
134	N	98.1	Very high	96.6	Very high	1 Å²	1	30 Å²	30	1%	0.005	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-18.7	-174.3	72.5	-107.3	0	0	0	114.7	D103 L137 W203 G204 H230 H269	D103-N134 PolarHBondContact OD1-N 2.84Å; D103-N134 PolarHBondContact OD2-OD1 3.08Å; N134-L137 WeakPolarHBondContact O-CD2 3.23Å; N134-W203 HydrophobicContact CB-CB 3.8Å; N134-G204 PolarHBondContact O-N 2.79Å; N134-H230 PolarHBondContact N-CD2 2.98Å; N134-H230 PolarHBondContact N-NE2 2.95Å; N134-H230 PolarHBondContact OD1-NE2 2.93Å; N134-H230 VanDerWaalsContact OD1-NE2 3.09Å; N134-H269 PolarHBondContact OD1-CE1 2.9Å; N134-H269 PolarHBondContact OD1-ND1 3.19Å
135	H	97.9	Very high	96.3	Very high	16 Å²	16	26.5 Å²	26.5	7%	0.074	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-17.1	176	-78.9	-106.6	0	0	0	113.3	H84 D103 T105 E106 L107 G108 G133 L137 W203	H84-H135 AromaticContact CE1-CD2 3.45Å; H84-H135 PolarHBondContact CE1-CD2 3.45Å; H84-H135 VanDerWaalsContact CE1-CD2 3.45Å; H84-H135 AromaticContact CE1-CE1 3.84Å; H84-H135 AromaticContact CE1-CG 3.79Å; H84-H135 AromaticContact CE1-NE2 3.52Å; H84-H135 AromaticContact ND1-CD2 3.85Å; H84-H135 AromaticContact ND1-CE1 3.87Å; H84-H135 AromaticContact ND1-CG 3.7Å; H84-H135 AromaticContact ND1-ND1 3.72Å; H84-H135 AromaticContact ND1-NE2 3.99Å; D103-H135 HydrophobicContact CB-CB 4.45Å; D103-H135 WeakPolarHBondContact OD1-CB 3.44Å; D103-H135 IonicContact OD1-CD2 2.92Å; D103-H135 IonicContact OD1-CG 3.95Å; D103-H135 PolarHBondContact OD1-N 3.15Å; D103-H135 IonicContact OD2-CD2 2.77Å; D103-H135 PolarHBondContact OD2-CD2 2.84Å; D103-H135 IonicContact OD2-CG 3.59Å; D103-H135 IonicContact OD2-NE2 3.49Å; T105-H135 VanDerWaalsContact O-CB 3.25Å; T105-H135 WeakPolarHBondContact O-CB 3.35Å; E106-H135 PolarHBondContact O-ND1 2.97Å; L107-H135 CarbonylContact C-O 3.38Å; L107-H135 WeakPolarHBondContact CA-O 3.45Å; G108-H135 PolarHBondContact N-O 2.76Å; G133-H135 VanDerWaalsContact C-N 3.28Å; G133-H135 PolarHBondContact O-N 2.75Å; H135-L137 PolarHBondContact O-N 3.31Å; H135-W203 HydrophobicContact CB-CZ3 4.48Å; H135-W203 AromaticContact CE1-CH2 3.38Å; H135-W203 WeakPolarHBondContact CE1-CH2 3.15Å; H135-W203 AromaticContact CE1-CZ2 3.92Å; H135-W203 AromaticContact CE1-CZ3 3.59Å; H135-W203 AromaticContact CG-CZ3 3.84Å; H135-W203 AromaticContact ND1-CH2 3.65Å; H135-W203 AromaticContact ND1-CZ3 3.44Å; H135-W203 WeakPolarHBondContact ND1-CZ3 3.19Å; H135-W203 AromaticContact NE2-CH2 3.98Å
136	E	98.3	Very high	95.8	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.155	C	C	.	.			trans	-77.5	56.7	175	-82.1	73.5	-115.3	0	0	112.1	D103 F104 T105 A132 G133 T138 F139 F205	D103-E136 WeakPolarHBondContact CA-OE2 3.36Å; D103-E136 PolarHBondContact N-OE2 3.28Å; F104-E136 HydrophobicContact CD1-CG 4.24Å; F104-E136 HydrophobicContact CD2-CG 4.39Å; F104-E136 HydrophobicContact CE1-CG 3.64Å; F104-E136 HydrophobicContact CE2-CG 3.79Å; F104-E136 HydrophobicContact CZ-CG 3.37Å; F104-E136 PolarHBondContact N-OE1 3.43Å; T105-E136 WeakPolarHBondContact CB-OE1 3.44Å; T105-E136 PolarHBondContact N-OE1 2.97Å; T105-E136 PolarHBondContact OG1-OE1 3.05Å; A132-E136 HydrophobicContact CB-CB 3.82Å; A132-E136 HydrophobicContact CB-CG 4.14Å; G133-E136 PolarHBondContact N-OE2 2.88Å; G133-E136 PolarHBondContact O-N 2.86Å; E136-T138 PolarHBondContact O-N 2.76Å; E136-T138 VanDerWaalsContact O-N 3.11Å; E136-F139 HydrophobicContact CB-CB 4.15Å; E136-F139 HydrophobicContact CB-CD2 3.68Å; E136-F139 HydrophobicContact CB-CE2 4.29Å; E136-F139 HydrophobicContact CB-CG 3.95Å; E136-F139 HydrophobicContact CG-CD2 3.95Å; E136-F139 HydrophobicContact CG-CE2 4.04Å; E136-F139 HydrophobicContact CG-CG 4.38Å; E136-F139 WeakPolarHBondContact O-CB 3.43Å; E136-F139 PolarHBondContact O-N 3.05Å; E136-F205 HydrophobicContact CB-CE2 4.42Å
137	L	96.7	Very high	95.6	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.117	C	C	.	.	G	3₁₀ helix	trans	-51.4	-41.8	-173.6	-58.6	-177.1	0	0	0	112.8	L107 N134 H135 F139 D140 F143 M144 F155 A158 W203	L107-L137 HydrophobicContact CD2-CD1 3.96Å; N134-L137 WeakPolarHBondContact O-CD2 3.23Å; H135-L137 PolarHBondContact O-N 3.31Å; L137-F139 PolarHBondContact O-N 3.5Å; L137-D140 PolarHBondContact O-N 2.94Å; L137-F143 HydrophobicContact CB-CD1 4.22Å; L137-F143 HydrophobicContact CB-CE1 4.06Å; L137-F143 HydrophobicContact CD1-CE1 4.13Å; L137-F143 HydrophobicContact CD2-CD1 4.17Å; L137-F143 HydrophobicContact CD2-CE1 3.63Å; L137-F143 HydrophobicContact CD2-CZ 4.02Å; L137-F143 HydrophobicContact CG-CE1 4.15Å; L137-M144 HydrophobicContact CB-SD 4.31Å; L137-M144 VanDerWaalsContact O-CG 3.31Å; L137-M144 WeakPolarHBondContact O-CG 3.23Å; L137-F155 HydrophobicContact CD1-CB 4.31Å; L137-F155 HydrophobicContact CD1-CD1 4.03Å; L137-F155 HydrophobicContact CD1-CD2 3.96Å; L137-F155 HydrophobicContact CD1-CE1 4.28Å; L137-F155 HydrophobicContact CD1-CE2 4.21Å; L137-F155 HydrophobicContact CD1-CG 3.85Å; L137-F155 HydrophobicContact CD1-CZ 4.36Å; L137-A158 HydrophobicContact CD1-CB 4.15Å; L137-W203 HydrophobicContact CD2-CE3 3.81Å; L137-W203 HydrophobicContact CD2-CZ3 4.43Å; L137-W203 HydrophobicContact CG-CE3 4.47Å
138	T	96.9	Very high	94.9	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-68.4	-14.2	-178.7	56.7	0	0	0	0	114.6	G108 E136 Q141 M144 L161	G108-T138 WeakPolarHBondContact O-CB 3.31Å; G108-T138 WeakPolarHBondContact O-CG2 3.37Å; G108-T138 PolarHBondContact O-OG1 2.87Å; E136-T138 PolarHBondContact O-N 2.76Å; E136-T138 VanDerWaalsContact O-N 3.11Å; T138-Q141 PolarHBondContact O-NE2 3Å; T138-Q141 VanDerWaalsContact O-NE2 3.15Å; T138-M144 HydrophobicContact CG2-CE 4.38Å; T138-M144 HydrophobicContact CG2-SD 4.32Å; T138-L161 HydrophobicContact CG2-CD1 3.58Å
139	F	97.6	Very high	94.1	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.009	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-84.5	-22.4	176.9	-70.6	-123.5	0	0	0	111	F104 V113 A132 E136 L137 Q141 V169 Q170 L173 Y178 F205	F104-F139 HydrophobicContact CE2-CE2 4.45Å; F104-F139 HydrophobicContact CE2-CZ 4.09Å; F104-F139 AromaticContact CZ-CE1 3.96Å; F104-F139 HydrophobicContact CZ-CE1 3.96Å; F104-F139 HydrophobicContact CZ-CE2 4.21Å; F104-F139 AromaticContact CZ-CZ 3.67Å; F104-F139 HydrophobicContact CZ-CZ 3.67Å; V113-F139 HydrophobicContact CG1-CE2 4.47Å; V113-F139 HydrophobicContact CG1-CZ 4.04Å; V113-F139 HydrophobicContact CG2-CE2 3.65Å; V113-F139 HydrophobicContact CG2-CZ 4.04Å; A132-F139 HydrophobicContact CB-CB 4.41Å; A132-F139 HydrophobicContact CB-CD1 4.31Å; A132-F139 HydrophobicContact CB-CG 4.49Å; E136-F139 HydrophobicContact CB-CB 4.15Å; E136-F139 HydrophobicContact CB-CD2 3.68Å; E136-F139 HydrophobicContact CB-CE2 4.29Å; E136-F139 HydrophobicContact CB-CG 3.95Å; E136-F139 HydrophobicContact CG-CD2 3.95Å; E136-F139 HydrophobicContact CG-CE2 4.04Å; E136-F139 HydrophobicContact CG-CG 4.38Å; E136-F139 WeakPolarHBondContact O-CB 3.43Å; E136-F139 PolarHBondContact O-N 3.05Å; L137-F139 PolarHBondContact O-N 3.5Å; F139-Q141 PolarHBondContact O-N 2.72Å; F139-V169 HydrophobicContact CD1-CG1 4.47Å; F139-V169 HydrophobicContact CD2-CG1 3.57Å; F139-V169 HydrophobicContact CE2-CB 4.36Å; F139-V169 HydrophobicContact CE2-CG1 3.61Å; F139-V169 HydrophobicContact CE2-CG2 3.86Å; F139-V169 HydrophobicContact CG-CG1 4Å; F139-V169 HydrophobicContact CZ-CG1 4.1Å; F139-V169 HydrophobicContact CZ-CG2 4.38Å; F139-Q170 HydrophobicContact CD1-CG 3.33Å; F139-Q170 HydrophobicContact CE1-CB 4.2Å; F139-Q170 HydrophobicContact CE1-CG 3.44Å; F139-Q170 VanDerWaalsContact CE1-CG 3.44Å; F139-Q170 HydrophobicContact CG-CG 4.2Å; F139-Q170 HydrophobicContact CZ-CG 4.39Å; F139-L173 HydrophobicContact CE1-CD1 3.9Å; F139-L173 HydrophobicContact CZ-CD1 4.07Å; F139-Y178 HydrophobicContact CD1-CE1 4.32Å; F139-Y178 AromaticContact CD1-CE2 3.89Å; F139-Y178 HydrophobicContact CD1-CE2 3.89Å; F139-Y178 AromaticContact CD1-CZ 3.63Å; F139-Y178 WeakPolarHBondContact CD1-OH 3.48Å; F139-Y178 HydrophobicContact CE1-CD2 4.35Å; F139-Y178 AromaticContact CE1-CE2 3.82Å; F139-Y178 HydrophobicContact CE1-CE2 3.82Å; F139-Y178 AromaticContact CE1-CZ 3.97Å; F139-F205 HydrophobicContact CB-CE2 3.86Å; F139-F205 HydrophobicContact CB-CZ 3.64Å
140	D	96.4	Very high	92.8	Very high	16 Å²	16	36.4 Å²	36.4	9%	0.086	18%	0.178	C	C	.	.			trans	-92.2	96.6	173.9	-172.8	-18.6	0	0	0	110.2	L137 E142 F143 M144 F205	L137-D140 PolarHBondContact O-N 2.94Å; D140-E142 VanDerWaalsContact C-N 3.32Å; D140-E142 PolarHBondContact O-N 3.41Å; D140-E142 PolarHBondContact OD1-N 2.79Å; D140-F143 HydrophobicContact CB-CB 3.74Å; D140-F143 PolarHBondContact O-N 2.95Å; D140-F143 PolarHBondContact OD1-N 3.41Å; D140-F143 WeakPolarHBondContact OD2-CB 3.27Å; D140-M144 WeakPolarHBondContact O-CG 3.44Å; D140-M144 PolarHBondContact O-N 2.77Å; D140-F205 HydrophobicContact CB-CD1 4.3Å; D140-F205 HydrophobicContact CB-CD2 4.27Å; D140-F205 HydrophobicContact CB-CE1 4.09Å; D140-F205 HydrophobicContact CB-CE2 4.06Å; D140-F205 HydrophobicContact CB-CG 4.41Å; D140-F205 HydrophobicContact CB-CZ 3.98Å; D140-F205 PolarHBondContact OD2-N 3.14Å
141	Q	93.1	Very high	91.1	Very high	77 Å²	77	41.5 Å²	41.5	36%	0.36	21%	0.205	S	C	.	.	H	α-helix	trans	-66	-34.3	-175.9	-59.7	-61.6	-48.3	0	0	112.5	T138 F139 A145 Y166	T138-Q141 PolarHBondContact O-NE2 3Å; T138-Q141 VanDerWaalsContact O-NE2 3.15Å; F139-Q141 PolarHBondContact O-N 2.72Å; Q141-A145 WeakPolarHBondContact O-CB 3.28Å; Q141-A145 PolarHBondContact O-N 3.07Å; Q141-Y166 VanDerWaalsContact OE1-CE2 3.26Å
142	E	91.9	Very high	89.4	Confident	150 Å²	150	46 Å²	46	70%	0.701	23%	0.225	S	C	*	.	H	α-helix	trans	-68.9	-46.4	178	-67.8	-176.7	-179.2	0	0	109.8	D140 M144 A145 D146	D140-E142 VanDerWaalsContact C-N 3.32Å; D140-E142 PolarHBondContact O-N 3.41Å; D140-E142 PolarHBondContact OD1-N 2.79Å; E142-M144 PolarHBondContact O-N 3.17Å; E142-A145 PolarHBondContact O-N 3.29Å; E142-D146 PolarHBondContact O-N 3.34Å; E142-D146 VanDerWaalsContact O-N 3.08Å
143	F	92.8	Very high	87.8	Confident	38 Å²	38	55.1 Å²	55.1	17%	0.167	26%	0.261	C	S	.	.	H	α-helix	trans	-57.2	-48.9	174.7	179.8	-92.2	0	0	0	112.3	L137 D140 A145 D146 L147 F155 G202	L137-F143 HydrophobicContact CB-CD1 4.22Å; L137-F143 HydrophobicContact CB-CE1 4.06Å; L137-F143 HydrophobicContact CD1-CE1 4.13Å; L137-F143 HydrophobicContact CD2-CD1 4.17Å; L137-F143 HydrophobicContact CD2-CE1 3.63Å; L137-F143 HydrophobicContact CD2-CZ 4.02Å; L137-F143 HydrophobicContact CG-CE1 4.15Å; D140-F143 HydrophobicContact CB-CB 3.74Å; D140-F143 PolarHBondContact O-N 2.95Å; D140-F143 PolarHBondContact OD1-N 3.41Å; D140-F143 WeakPolarHBondContact OD2-CB 3.27Å; F143-A145 VanDerWaalsContact C-N 3.34Å; F143-A145 PolarHBondContact O-N 3.11Å; F143-D146 PolarHBondContact O-N 2.92Å; F143-L147 HydrophobicContact CE1-CB 4.29Å; F143-L147 HydrophobicContact CE1-CD1 4.4Å; F143-L147 HydrophobicContact CE1-CD2 4.06Å; F143-L147 HydrophobicContact CE1-CG 4.49Å; F143-L147 HydrophobicContact CZ-CD1 4.32Å; F143-L147 WeakPolarHBondContact O-CB 3.42Å; F143-L147 PolarHBondContact O-N 2.76Å; F143-F155 HydrophobicContact CZ-CD2 4.14Å; F143-F155 AromaticContact CZ-CE2 3.93Å; F143-F155 HydrophobicContact CZ-CE2 3.93Å; F143-G202 WeakPolarHBondContact CE2-O 3.37Å; F143-G202 WeakPolarHBondContact CZ-O 3.48Å
144	M	92.5	Very high	86.7	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.4	-40.4	179.3	-74.4	-63	-64.3	0	0	112.4	L137 T138 D140 E142 D146 L147 I148 L161 Y166	L137-M144 HydrophobicContact CB-SD 4.31Å; L137-M144 VanDerWaalsContact O-CG 3.31Å; L137-M144 WeakPolarHBondContact O-CG 3.23Å; T138-M144 HydrophobicContact CG2-CE 4.38Å; T138-M144 HydrophobicContact CG2-SD 4.32Å; D140-M144 WeakPolarHBondContact O-CG 3.44Å; D140-M144 PolarHBondContact O-N 2.77Å; E142-M144 PolarHBondContact O-N 3.17Å; M144-D146 VanDerWaalsContact C-N 3.28Å; M144-D146 PolarHBondContact O-N 2.59Å; M144-L147 PolarHBondContact O-N 2.8Å; M144-L147 HydrophobicContact SD-CD2 4.16Å; M144-I148 HydrophobicContact CE-CD1 4.43Å; M144-I148 WeakPolarHBondContact O-CD1 3.28Å; M144-I148 VanDerWaalsContact O-CG1 3.28Å; M144-I148 WeakPolarHBondContact O-CG1 3.46Å; M144-I148 PolarHBondContact O-N 2.82Å; M144-I148 VanDerWaalsContact O-N 3.11Å; M144-L161 HydrophobicContact CE-CB 4.3Å; M144-L161 HydrophobicContact CE-CD1 4.31Å; M144-Y166 HydrophobicContact CB-CD2 4.27Å; M144-Y166 HydrophobicContact CB-CE1 4.4Å; M144-Y166 HydrophobicContact CB-CE2 3.56Å; M144-Y166 HydrophobicContact CE-CD1 3.78Å; M144-Y166 HydrophobicContact CE-CE1 3.69Å; M144-Y166 HydrophobicContact CE-CG 4.23Å; M144-Y166 HydrophobicContact CG-CD2 4.12Å; M144-Y166 HydrophobicContact CG-CE2 3.92Å
145	A	90	Very high	86	Confident	36 Å²	36	62.4 Å²	62.4	30%	0.298	29%	0.289	S	S	.	.	H	α-helix	trans	-62.1	-37.4	177.5	0	0	0	0	0	112	Q141 E142 F143 K149	Q141-A145 WeakPolarHBondContact O-CB 3.28Å; Q141-A145 PolarHBondContact O-N 3.07Å; E142-A145 PolarHBondContact O-N 3.29Å; F143-A145 VanDerWaalsContact C-N 3.34Å; F143-A145 PolarHBondContact O-N 3.11Å; A145-K149 WeakPolarHBondContact O-CD 3.37Å; A145-K149 VanDerWaalsContact O-CG 3.24Å; A145-K149 WeakPolarHBondContact O-CG 3.5Å; A145-K149 PolarHBondContact O-N 2.72Å
146	D	88.1	Confident	85.3	Confident	78 Å²	78	64.5 Å²	64.5	42%	0.417	31%	0.305	S	S	.	.	H	α-helix	trans	-77.4	-39.8	177.3	-75.9	-11.1	0	0	0	112.6	E142 F143 M144 I148 K149 Q150	E142-D146 PolarHBondContact O-N 3.34Å; E142-D146 VanDerWaalsContact O-N 3.08Å; F143-D146 PolarHBondContact O-N 2.92Å; M144-D146 VanDerWaalsContact C-N 3.28Å; M144-D146 PolarHBondContact O-N 2.59Å; D146-I148 VanDerWaalsContact C-N 3.3Å; D146-I148 PolarHBondContact O-N 2.77Å; D146-K149 PolarHBondContact O-N 3.12Å; D146-K149 IonicContact OD1-NZ 3.98Å; D146-Q150 WeakPolarHBondContact O-CG 3.18Å; D146-Q150 PolarHBondContact O-N 2.96Å; D146-Q150 VanDerWaalsContact O-N 3.1Å
147	L	86.4	Confident	84.8	Confident	9 Å²	9	67.6 Å²	67.6	5%	0.047	33%	0.326	C	S	.	.	H	α-helix	trans	-55.9	-45.1	176.6	-176.8	72.9	0	0	0	111.6	F143 M144 F152 F155 A158	F143-L147 HydrophobicContact CE1-CB 4.29Å; F143-L147 HydrophobicContact CE1-CD1 4.4Å; F143-L147 HydrophobicContact CE1-CD2 4.06Å; F143-L147 HydrophobicContact CE1-CG 4.49Å; F143-L147 HydrophobicContact CZ-CD1 4.32Å; F143-L147 WeakPolarHBondContact O-CB 3.42Å; F143-L147 PolarHBondContact O-N 2.76Å; M144-L147 PolarHBondContact O-N 2.8Å; M144-L147 HydrophobicContact SD-CD2 4.16Å; L147-F152 HydrophobicContact CD1-CB 3.55Å; L147-F152 HydrophobicContact CD1-CG 4.38Å; L147-F155 HydrophobicContact CD1-CB 4.42Å; L147-F155 HydrophobicContact CD1-CD2 3.96Å; L147-F155 HydrophobicContact CD2-CB 4.31Å; L147-A158 HydrophobicContact CD2-CB 4.05Å
148	I	83.3	Confident	84.3	Confident	64 Å²	64	67.6 Å²	67.6	33%	0.328	33%	0.326	S	S	.	.	H	α-helix	trans	-70.5	-38.2	-178.5	-66.4	167	0	0	0	111.3	M144 D146 Y166	M144-I148 HydrophobicContact CE-CD1 4.43Å; M144-I148 WeakPolarHBondContact O-CD1 3.28Å; M144-I148 VanDerWaalsContact O-CG1 3.28Å; M144-I148 WeakPolarHBondContact O-CG1 3.46Å; M144-I148 PolarHBondContact O-N 2.82Å; M144-I148 VanDerWaalsContact O-N 3.11Å; D146-I148 VanDerWaalsContact C-N 3.3Å; D146-I148 PolarHBondContact O-N 2.77Å; I148-Y166 HydrophobicContact CD1-CE1 3.98Å
149	K	81.5	Confident	83.7	Confident	159 Å²	159	69 Å²	69	69%	0.691	34%	0.336	S	S	*	.	H	α-helix	trans	-68.8	-35.3	-180	-74.9	169.7	-168.6	162.9	0	113.2	A145 D146 D151	A145-K149 WeakPolarHBondContact O-CD 3.37Å; A145-K149 VanDerWaalsContact O-CG 3.24Å; A145-K149 WeakPolarHBondContact O-CG 3.5Å; A145-K149 PolarHBondContact O-N 2.72Å; D146-K149 PolarHBondContact O-N 3.12Å; D146-K149 IonicContact OD1-NZ 3.98Å; K149-D151 VanDerWaalsContact C-N 3.31Å
150	Q	72.8	Confident	83.2	Confident	118 Å²	118	76.8 Å²	76.8	55%	0.551	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	5.2	-172.6	-63.7	-177.6	37	0	0	113.1	D146 F152	D146-Q150 WeakPolarHBondContact O-CG 3.18Å; D146-Q150 PolarHBondContact O-N 2.96Å; D146-Q150 VanDerWaalsContact O-N 3.1Å; Q150-F152 HydrophobicContact CB-CD2 3.55Å; Q150-F152 HydrophobicContact CB-CE2 4.03Å; Q150-F152 PolarHBondContact O-N 2.77Å; Q150-F152 VanDerWaalsContact O-N 3.17Å; Q150-F152 VanDerWaalsContact OE1-CE2 3.25Å
151	D	61.8	Low	82.8	Confident	107 Å²	107	77.5 Å²	77.5	57%	0.572	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.3	41.9	-179.3	-143	18.4	0	0	0	111.9	K149 Y153	K149-D151 VanDerWaalsContact C-N 3.31Å; D151-Y153 WeakPolarHBondContact O-CD2 3.34Å; D151-Y153 PolarHBondContact O-N 3.13Å
152	F	64.2	Low	82.5	Confident	96 Å²	96	79.7 Å²	79.7	42%	0.421	38%	0.382	S	S	.	.			trans	-69.9	101.6	-172.3	-114.4	-102.7	0	0	0	110.1	L147 Q150 Y154	L147-F152 HydrophobicContact CD1-CB 3.55Å; L147-F152 HydrophobicContact CD1-CG 4.38Å; Q150-F152 HydrophobicContact CB-CD2 3.55Å; Q150-F152 HydrophobicContact CB-CE2 4.03Å; Q150-F152 PolarHBondContact O-N 2.77Å; Q150-F152 VanDerWaalsContact O-N 3.17Å; Q150-F152 VanDerWaalsContact OE1-CE2 3.25Å; F152-Y154 PolarHBondContact O-N 2.91Å
153	Y	66.1	Low	82.3	Confident	190 Å²	190	76.1 Å²	76.1	75%	0.745	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-3	173.1	-72.4	-88	0	0	0	114	D151 P156	D151-Y153 WeakPolarHBondContact O-CD2 3.34Å; D151-Y153 PolarHBondContact O-N 3.13Å; Y153-P156 WeakPolarHBondContact O-CD 3.49Å
154	Y	74.6	Confident	82.1	Confident	143 Å²	143	80.3 Å²	80.3	56%	0.561	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-34.6	-179.1	-160.9	-99.4	0	0	0	112.6	F152 P156	F152-Y154 PolarHBondContact O-N 2.91Å; Y154-P156 WeakPolarHBondContact O-CD 3.47Å
155	F	83.7	Confident	81.9	Confident	11 Å²	11	83.9 Å²	83.9	5%	0.048	41%	0.411	C	S	.	.	S	Bend	trans	-123.9	69.4	177	-61.3	-62.2	0	0	0	111.3	L107 L137 F143 L147 S157 A158 S159 W203	L107-F155 HydrophobicContact CD2-CD1 3.62Å; L107-F155 HydrophobicContact CD2-CE1 3.95Å; L137-F155 HydrophobicContact CD1-CB 4.31Å; L137-F155 HydrophobicContact CD1-CD1 4.03Å; L137-F155 HydrophobicContact CD1-CD2 3.96Å; L137-F155 HydrophobicContact CD1-CE1 4.28Å; L137-F155 HydrophobicContact CD1-CE2 4.21Å; L137-F155 HydrophobicContact CD1-CG 3.85Å; L137-F155 HydrophobicContact CD1-CZ 4.36Å; F143-F155 HydrophobicContact CZ-CD2 4.14Å; F143-F155 AromaticContact CZ-CE2 3.93Å; F143-F155 HydrophobicContact CZ-CE2 3.93Å; L147-F155 HydrophobicContact CD1-CB 4.42Å; L147-F155 HydrophobicContact CD1-CD2 3.96Å; L147-F155 HydrophobicContact CD2-CB 4.31Å; F155-S157 PolarHBondContact O-N 2.9Å; F155-S157 VanDerWaalsContact O-N 3.12Å; F155-A158 HydrophobicContact CB-CB 4.14Å; F155-A158 PolarHBondContact O-N 3.47Å; F155-A158 VanDerWaalsContact O-N 3.1Å; F155-S159 PolarHBondContact O-N 3.23Å; F155-S159 PolarHBondContact O-OG 3.36Å; F155-W203 HydrophobicContact CE1-CD2 4.4Å; F155-W203 HydrophobicContact CE1-CE3 4.14Å; F155-W203 AromaticContact CE1-CH2 3.58Å; F155-W203 HydrophobicContact CE1-CH2 3.58Å; F155-W203 AromaticContact CE1-CZ2 3.85Å; F155-W203 HydrophobicContact CE1-CZ2 3.85Å; F155-W203 AromaticContact CE1-CZ3 3.73Å; F155-W203 HydrophobicContact CE1-CZ3 3.73Å; F155-W203 AromaticContact CZ-CD2 3.89Å; F155-W203 HydrophobicContact CZ-CD2 3.89Å; F155-W203 AromaticContact CZ-CE2 3.95Å; F155-W203 AromaticContact CZ-CE3 3.9Å; F155-W203 HydrophobicContact CZ-CE3 3.9Å; F155-W203 HydrophobicContact CZ-CH2 4.06Å; F155-W203 HydrophobicContact CZ-CZ2 4.04Å; F155-W203 AromaticContact CZ-CZ3 3.99Å; F155-W203 HydrophobicContact CZ-CZ3 3.99Å
156	P	83.8	Confident	81.8	Confident	61 Å²	61	82.8 Å²	82.8	40%	0.396	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-23.3	-167.6	27.1	-35.3	0	0	0	113.9	Y153 Y154 S159 K160	Y153-P156 WeakPolarHBondContact O-CD 3.49Å; Y154-P156 WeakPolarHBondContact O-CD 3.47Å; P156-S159 WeakPolarHBondContact CA-OG 3.46Å; P156-K160 WeakPolarHBondContact O-CD 3.42Å; P156-K160 WeakPolarHBondContact O-CE 3.36Å; P156-K160 WeakPolarHBondContact O-CG 3.44Å
157	S	87.1	Confident	81.9	Confident	64 Å²	64	84.5 Å²	84.5	45%	0.448	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-38.7	176.1	-59.1	0	0	0	0	112	F155	F155-S157 PolarHBondContact O-N 2.9Å; F155-S157 VanDerWaalsContact O-N 3.12Å
158	A	85.7	Confident	82	Confident	0 Å²	0	89 Å²	89	0%	0	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-40.1	178.7	0	0	0	0	0	111.6	L137 L147 F155 K160 L161	L137-A158 HydrophobicContact CD1-CB 4.15Å; L147-A158 HydrophobicContact CD2-CB 4.05Å; F155-A158 HydrophobicContact CB-CB 4.14Å; F155-A158 PolarHBondContact O-N 3.47Å; F155-A158 VanDerWaalsContact O-N 3.1Å; A158-K160 PolarHBondContact O-N 3.38Å; A158-L161 VanDerWaalsContact O-CB 3.3Å; A158-L161 WeakPolarHBondContact O-CB 3.29Å; A158-L161 WeakPolarHBondContact O-CG 3.21Å; A158-L161 PolarHBondContact O-N 3.29Å
159	S	84.1	Confident	82.6	Confident	29 Å²	29	86.1 Å²	86.1	20%	0.203	41%	0.414	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-18.4	-179.2	64.2	0	0	0	0	114.2	F155 P156	F155-S159 PolarHBondContact O-N 3.23Å; F155-S159 PolarHBondContact O-OG 3.36Å; P156-S159 WeakPolarHBondContact CA-OG 3.46Å
160	K	87.1	Confident	83.3	Confident	167 Å²	167	81.9 Å²	81.9	73%	0.726	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83	-10	174.5	-71.8	174	-171	175.6	0	113.8	P156 A158	P156-K160 WeakPolarHBondContact O-CD 3.42Å; P156-K160 WeakPolarHBondContact O-CE 3.36Å; P156-K160 WeakPolarHBondContact O-CG 3.44Å; A158-K160 PolarHBondContact O-N 3.38Å
161	L	87.8	Confident	84.5	Confident	30 Å²	30	80 Å²	80	16%	0.157	40%	0.397	C	S	.	.			trans	-69.4	138.7	177.8	-65	177.4	0	0	0	110	L109 T138 M144 A158 N165 Y166	L109-L161 HydrophobicContact CD2-CD1 4.04Å; T138-L161 HydrophobicContact CG2-CD1 3.58Å; M144-L161 HydrophobicContact CE-CB 4.3Å; M144-L161 HydrophobicContact CE-CD1 4.31Å; A158-L161 VanDerWaalsContact O-CB 3.3Å; A158-L161 WeakPolarHBondContact O-CB 3.29Å; A158-L161 WeakPolarHBondContact O-CG 3.21Å; A158-L161 PolarHBondContact O-N 3.29Å; L161-N165 HydrophobicContact CB-CB 4.44Å; L161-N165 HydrophobicContact CD2-CB 4.14Å; L161-Y166 HydrophobicContact CB-CD1 4.08Å
162	K	87.4	Confident	86.2	Confident	123 Å²	123	78 Å²	78	54%	0.535	39%	0.386	S	S	.	.			trans	-84.9	154.5	168	-62.6	178.3	179.2	-179.1	0	109.6	E164 N165 Y166	K162-E164 VanDerWaalsContact C-N 3.25Å; K162-E164 HydrophobicContact CB-CG 3.83Å; K162-E164 HydrophobicContact CD-CG 4.49Å; K162-E164 WeakPolarHBondContact CD-OE1 3.07Å; K162-E164 IonicContact NZ-OE1 3.38Å; K162-E164 PolarHBondContact O-N 3.38Å; K162-N165 WeakPolarHBondContact CB-OD1 3.33Å; K162-N165 PolarHBondContact N-OD1 3.16Å; K162-N165 WeakPolarHBondContact O-CA 3.05Å; K162-N165 VanDerWaalsContact O-CB 3.27Å; K162-N165 WeakPolarHBondContact O-CB 3.47Å; K162-N165 PolarHBondContact O-N 3.37Å; K162-N165 PolarHBondContact O-OD1 2.9Å; K162-Y166 WeakPolarHBondContact O-CD1 3.47Å; K162-Y166 WeakPolarHBondContact O-CE1 3.35Å
163	P	87.9	Confident	87.8	Confident	75 Å²	75	73.9 Å²	73.9	49%	0.487	37%	0.368	S	S	.	.	H	α-helix	trans	-47.5	-45	176.1	-31.2	37.2	0	0	0	114.3	N165 Y166 E167	P163-N165 PolarHBondContact O-N 2.86Å; P163-Y166 HydrophobicContact CB-CE1 4.43Å; P163-Y166 PolarHBondContact O-N 3.35Å; P163-E167 WeakPolarHBondContact O-CB 3.22Å; P163-E167 PolarHBondContact O-N 3.49Å
164	E	88.8	Confident	89.4	Confident	127 Å²	127	69.9 Å²	69.9	59%	0.593	36%	0.363	S	S	*	.	H	α-helix	trans	-57.2	-19.8	175.8	66.1	-156.6	-152.6	0	0	114.5	K162	K162-E164 VanDerWaalsContact C-N 3.25Å; K162-E164 HydrophobicContact CB-CG 3.83Å; K162-E164 HydrophobicContact CD-CG 4.49Å; K162-E164 WeakPolarHBondContact CD-OE1 3.07Å; K162-E164 IonicContact NZ-OE1 3.38Å; K162-E164 PolarHBondContact O-N 3.38Å
165	N	87.6	Confident	90.5	Very high	74 Å²	74	66 Å²	66	40%	0.396	35%	0.352	S	S	.	.	H	α-helix	trans	-84	-20.3	177.9	-54.5	137	0	0	0	113.2	P110 L161 K162 P163	P110-N165 VanDerWaalsContact CG-O 3.28Å; P110-N165 WeakPolarHBondContact CG-O 3.22Å; L161-N165 HydrophobicContact CB-CB 4.44Å; L161-N165 HydrophobicContact CD2-CB 4.14Å; K162-N165 WeakPolarHBondContact CB-OD1 3.33Å; K162-N165 PolarHBondContact N-OD1 3.16Å; K162-N165 WeakPolarHBondContact O-CA 3.05Å; K162-N165 VanDerWaalsContact O-CB 3.27Å; K162-N165 WeakPolarHBondContact O-CB 3.47Å; K162-N165 PolarHBondContact O-N 3.37Å; K162-N165 PolarHBondContact O-OD1 2.9Å; P163-N165 PolarHBondContact O-N 2.86Å
166	Y	88.1	Confident	91.2	Very high	13 Å²	13	66.5 Å²	66.5	5%	0.051	36%	0.357	C	S	.	.	H	α-helix	trans	-131.3	-12.1	-172.7	68.8	-96.7	0	0	0	115.8	Q141 M144 I148 L161 K162 P163 N168 V169	Q141-Y166 VanDerWaalsContact OE1-CE2 3.26Å; M144-Y166 HydrophobicContact CB-CD2 4.27Å; M144-Y166 HydrophobicContact CB-CE1 4.4Å; M144-Y166 HydrophobicContact CB-CE2 3.56Å; M144-Y166 HydrophobicContact CE-CD1 3.78Å; M144-Y166 HydrophobicContact CE-CE1 3.69Å; M144-Y166 HydrophobicContact CE-CG 4.23Å; M144-Y166 HydrophobicContact CG-CD2 4.12Å; M144-Y166 HydrophobicContact CG-CE2 3.92Å; I148-Y166 HydrophobicContact CD1-CE1 3.98Å; L161-Y166 HydrophobicContact CB-CD1 4.08Å; K162-Y166 WeakPolarHBondContact O-CD1 3.47Å; K162-Y166 WeakPolarHBondContact O-CE1 3.35Å; P163-Y166 HydrophobicContact CB-CE1 4.43Å; P163-Y166 PolarHBondContact O-N 3.35Å; Y166-N168 PolarHBondContact O-N 3.02Å; Y166-V169 WeakPolarHBondContact O-CB 3.38Å; Y166-V169 WeakPolarHBondContact O-CG1 3.38Å; Y166-V169 PolarHBondContact O-N 3.09Å; Y166-V169 VanDerWaalsContact O-N 3.07Å
167	E	89.6	Confident	91.9	Very high	114 Å²	114	66.6 Å²	66.6	53%	0.533	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-30.9	179.4	57.2	172	-158	0	0	113.6	P163	P163-E167 WeakPolarHBondContact O-CB 3.22Å; P163-E167 PolarHBondContact O-N 3.49Å
168	N	89.6	Confident	92.5	Very high	104 Å²	104	65.3 Å²	65.3	56%	0.556	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.7	22.6	-178	-69.8	-53.9	0	0	0	112.5	Y166 Q170 S171	Y166-N168 PolarHBondContact O-N 3.02Å; N168-Q170 PolarHBondContact O-N 3.08Å; N168-Q170 VanDerWaalsContact O-N 3.13Å; N168-S171 VanDerWaalsContact O-CB 3.3Å; N168-S171 WeakPolarHBondContact O-CB 3.26Å; N168-S171 PolarHBondContact O-N 3.42Å; N168-S171 PolarHBondContact O-OG 2.95Å
169	V	95.7	Very high	93.1	Very high	4 Å²	4	65.5 Å²	65.5	2%	0.024	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-56.9	-34.2	-173.3	70.1	0	0	0	0	113	P110 V113 F139 Y166 S171 L172	P110-V169 HydrophobicContact CG-CG2 4.44Å; V113-V169 HydrophobicContact CB-CG2 4.34Å; V113-V169 HydrophobicContact CG1-CG2 4.44Å; V113-V169 HydrophobicContact CG2-CG2 3.81Å; F139-V169 HydrophobicContact CD1-CG1 4.47Å; F139-V169 HydrophobicContact CD2-CG1 3.57Å; F139-V169 HydrophobicContact CE2-CB 4.36Å; F139-V169 HydrophobicContact CE2-CG1 3.61Å; F139-V169 HydrophobicContact CE2-CG2 3.86Å; F139-V169 HydrophobicContact CG-CG1 4Å; F139-V169 HydrophobicContact CZ-CG1 4.1Å; F139-V169 HydrophobicContact CZ-CG2 4.38Å; Y166-V169 WeakPolarHBondContact O-CB 3.38Å; Y166-V169 WeakPolarHBondContact O-CG1 3.38Å; Y166-V169 PolarHBondContact O-N 3.09Å; Y166-V169 VanDerWaalsContact O-N 3.07Å; V169-S171 PolarHBondContact O-N 3.06Å; V169-L172 HydrophobicContact CG2-CD1 4.13Å; V169-L172 VanDerWaalsContact O-CB 3.31Å; V169-L172 WeakPolarHBondContact O-CB 3.34Å; V169-L172 WeakPolarHBondContact O-CG 3.29Å; V169-L172 PolarHBondContact O-N 3.23Å; V169-L172 VanDerWaalsContact O-N 3.12Å
170	Q	96.1	Very high	93.8	Very high	69 Å²	69	66.9 Å²	66.9	32%	0.322	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-58	-32.3	175.8	-68.9	172	38.6	0	0	112.5	F139 N168 L172 L173 Y178	F139-Q170 HydrophobicContact CD1-CG 3.33Å; F139-Q170 HydrophobicContact CE1-CB 4.2Å; F139-Q170 HydrophobicContact CE1-CG 3.44Å; F139-Q170 VanDerWaalsContact CE1-CG 3.44Å; F139-Q170 HydrophobicContact CG-CG 4.2Å; F139-Q170 HydrophobicContact CZ-CG 4.39Å; N168-Q170 PolarHBondContact O-N 3.08Å; N168-Q170 VanDerWaalsContact O-N 3.13Å; Q170-L172 PolarHBondContact O-N 3.34Å; Q170-L172 VanDerWaalsContact O-N 3.16Å; Q170-L173 WeakPolarHBondContact O-CB 3.3Å; Q170-L173 PolarHBondContact O-N 3.14Å; Q170-L173 VanDerWaalsContact O-N 3.09Å; Q170-Y178 HydrophobicContact CB-CD1 4.39Å; Q170-Y178 VanDerWaalsContact CD-CE1 3.44Å; Q170-Y178 HydrophobicContact CG-CD1 4.11Å; Q170-Y178 HydrophobicContact CG-CE1 3.77Å
171	S	97.1	Very high	94.4	Very high	80 Å²	80	60.5 Å²	60.5	56%	0.559	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-66.8	-15	-179.7	72.4	0	0	0	0	113.9	N168 V169 L173	N168-S171 VanDerWaalsContact O-CB 3.3Å; N168-S171 WeakPolarHBondContact O-CB 3.26Å; N168-S171 PolarHBondContact O-N 3.42Å; N168-S171 PolarHBondContact O-OG 2.95Å; V169-S171 PolarHBondContact O-N 3.06Å; S171-L173 PolarHBondContact O-N 3.33Å
172	L	98.1	Very high	94.9	Very high	64 Å²	64	61.1 Å²	61.1	34%	0.335	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-70.4	-20.4	174.3	-60.1	176.6	0	0	0	112.3	P110 V113 N117 V169 Q170 T174	P110-L172 HydrophobicContact CB-CD1 3.93Å; V113-L172 HydrophobicContact CB-CD1 4.3Å; V113-L172 HydrophobicContact CG1-CB 3.81Å; V113-L172 HydrophobicContact CG1-CD1 4.3Å; N117-L172 WeakPolarHBondContact CB-O 3.33Å; N117-L172 PolarHBondContact ND2-O 3.09Å; N117-L172 PolarHBondContact OD1-O 2.88Å; V169-L172 HydrophobicContact CG2-CD1 4.13Å; V169-L172 VanDerWaalsContact O-CB 3.31Å; V169-L172 WeakPolarHBondContact O-CB 3.34Å; V169-L172 WeakPolarHBondContact O-CG 3.29Å; V169-L172 PolarHBondContact O-N 3.23Å; V169-L172 VanDerWaalsContact O-N 3.12Å; Q170-L172 PolarHBondContact O-N 3.34Å; Q170-L172 VanDerWaalsContact O-N 3.16Å; L172-T174 PolarHBondContact O-N 2.87Å
173	L	98.5	Very high	95.4	Very high	9 Å²	9	58.9 Å²	58.9	5%	0.047	32%	0.315	C	S	.	.			trans	-80.4	62.1	178.4	-65.8	178.1	0	0	0	112.1	F104 V113 F116 N117 F139 Q170 S171 N175 Y178	F104-L173 HydrophobicContact CE2-CD1 4.5Å; F104-L173 HydrophobicContact CE2-CD2 4.31Å; F104-L173 HydrophobicContact CZ-CD1 4Å; V113-L173 HydrophobicContact CG1-CD2 3.79Å; V113-L173 HydrophobicContact CG1-CG 3.92Å; F116-L173 HydrophobicContact CD1-CD2 3.81Å; F116-L173 HydrophobicContact CE1-CD2 4.23Å; N117-L173 HydrophobicContact CB-CD2 4.31Å; N117-L173 VanDerWaalsContact OD1-C 3.29Å; N117-L173 WeakPolarHBondContact OD1-CA 3.37Å; F139-L173 HydrophobicContact CE1-CD1 3.9Å; F139-L173 HydrophobicContact CZ-CD1 4.07Å; Q170-L173 WeakPolarHBondContact O-CB 3.3Å; Q170-L173 PolarHBondContact O-N 3.14Å; Q170-L173 VanDerWaalsContact O-N 3.09Å; S171-L173 PolarHBondContact O-N 3.33Å; L173-N175 VanDerWaalsContact C-N 3.34Å; L173-N175 PolarHBondContact O-N 3.27Å; L173-Y178 HydrophobicContact CD1-CD2 3.66Å; L173-Y178 HydrophobicContact CD1-CE2 4.38Å; L173-Y178 HydrophobicContact CD1-CG 4.13Å
174	T	98.6	Very high	96	Very high	106 Å²	106	56.8 Å²	56.8	65%	0.65	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-18.3	-177.7	51.9	0	0	0	0	114.8	N117 L172	N117-T174 PolarHBondContact ND2-OG1 3Å; N117-T174 PolarHBondContact OD1-N 3.03Å; L172-T174 PolarHBondContact O-N 2.87Å
175	N	98.7	Very high	96.4	Very high	62 Å²	62	54.7 Å²	54.7	33%	0.332	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	13	-177.4	-70.1	-51.5	0	0	0	113.6	N117 L120 G121 K128 L173	N117-N175 PolarHBondContact ND2-ND2 3.04Å; N117-N175 VanDerWaalsContact ND2-ND2 3.19Å; N117-N175 PolarHBondContact O-ND2 3.48Å; N117-N175 WeakPolarHBondContact OD1-CB 3.49Å; N117-N175 PolarHBondContact OD1-N 2.81Å; L120-N175 HydrophobicContact CB-CB 3.87Å; G121-N175 WeakPolarHBondContact CA-ND2 3.48Å; K128-N175 WeakPolarHBondContact CD-O 3.2Å; L173-N175 VanDerWaalsContact C-N 3.34Å; L173-N175 PolarHBondContact O-N 3.27Å
176	C	98.8	Very high	96.9	Very high	22 Å²	22	51.7 Å²	51.7	15%	0.149	28%	0.282	C	S	.	.	S	Bend	trans	-148.4	169.1	175.8	64.8	0	0	0	0	113.1	L120 K128 V130	L120-C176 HydrophobicContact CD1-CB 3.96Å; K128-C176 HydrophobicContact CB-CB 3.66Å; K128-C176 CarbonylContact O-C 3.42Å; K128-C176 WeakPolarHBondContact O-CA 3.3Å; K128-C176 VanDerWaalsContact O-CB 3.28Å; K128-C176 WeakPolarHBondContact O-CB 3.5Å; V130-C176 HydrophobicContact CB-CB 4.48Å; V130-C176 HydrophobicContact CG2-CB 3.75Å; V130-C176 VanDerWaalsContact CG2-SG 3.59Å
177	I	98.8	Very high	97.2	Very high	62 Å²	62	57 Å²	57	32%	0.318	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	107.3	163.8	-59.2	159.7	0	0	0	106.6	I127 K128 I129 V130 L179 V184 V186	I127-I177 HydrophobicContact CG2-CD1 4.33Å; K128-I177 PolarHBondContact O-N 2.91Å; I129-I177 WeakPolarHBondContact CA-O 3.17Å; I129-I177 HydrophobicContact CD1-CB 3.86Å; I129-I177 HydrophobicContact CD1-CD1 3.84Å; I129-I177 HydrophobicContact CD1-CG1 4.4Å; I129-I177 HydrophobicContact CD1-CG2 4.35Å; V130-I177 PolarHBondContact N-O 3.41Å; I177-L179 HydrophobicContact CG2-CD2 3.97Å; I177-V184 HydrophobicContact CD1-CG2 4.25Å; I177-V184 HydrophobicContact CG2-CB 4.22Å; I177-V184 HydrophobicContact CG2-CG1 4.16Å; I177-V184 HydrophobicContact CG2-CG2 4.29Å; I177-V186 HydrophobicContact CD1-CG1 4.12Å
178	Y	98.9	Very high	97.6	Very high	38 Å²	38	53.7 Å²	53.7	15%	0.149	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	132	173.7	178.5	-103.4	0	0	0	110.2	V130 A132 F139 Q170 L173 Q180	V130-Y178 HydrophobicContact CG1-CD2 4.38Å; V130-Y178 CarbonylContact O-C 3.55Å; V130-Y178 WeakPolarHBondContact O-CA 3.42Å; A132-Y178 HydrophobicContact CB-CE2 4.13Å; A132-Y178 VanDerWaalsContact CB-OH 3.29Å; A132-Y178 WeakPolarHBondContact CB-OH 3.37Å; F139-Y178 HydrophobicContact CD1-CE1 4.32Å; F139-Y178 AromaticContact CD1-CE2 3.89Å; F139-Y178 HydrophobicContact CD1-CE2 3.89Å; F139-Y178 AromaticContact CD1-CZ 3.63Å; F139-Y178 WeakPolarHBondContact CD1-OH 3.48Å; F139-Y178 HydrophobicContact CE1-CD2 4.35Å; F139-Y178 AromaticContact CE1-CE2 3.82Å; F139-Y178 HydrophobicContact CE1-CE2 3.82Å; F139-Y178 AromaticContact CE1-CZ 3.97Å; Q170-Y178 HydrophobicContact CB-CD1 4.39Å; Q170-Y178 VanDerWaalsContact CD-CE1 3.44Å; Q170-Y178 HydrophobicContact CG-CD1 4.11Å; Q170-Y178 HydrophobicContact CG-CE1 3.77Å; L173-Y178 HydrophobicContact CD1-CD2 3.66Å; L173-Y178 HydrophobicContact CD1-CE2 4.38Å; L173-Y178 HydrophobicContact CD1-CG 4.13Å; Y178-Q180 HydrophobicContact CE1-CB 3.62Å; Y178-Q180 PolarHBondContact OH-OE1 2.62Å
179	L	98.9	Very high	98	Very high	4 Å²	4	48.7 Å²	48.7	2%	0.021	27%	0.271	C	S	.	.			trans	-119.1	130	176.6	-58.3	-179.8	0	0	0	110.3	I129 V130 I131 I177 V184 I191	I129-L179 HydrophobicContact CG2-CD1 3.6Å; I129-L179 HydrophobicContact CG2-CG 4.08Å; V130-L179 PolarHBondContact O-N 2.93Å; I131-L179 HydrophobicContact CG2-CB 4.1Å; I131-L179 WeakPolarHBondContact CG2-O 3.46Å; I177-L179 HydrophobicContact CG2-CD2 3.97Å; L179-V184 HydrophobicContact CD1-CG1 4.16Å; L179-V184 HydrophobicContact CD2-CB 4.19Å; L179-V184 HydrophobicContact CD2-CG1 4.17Å; L179-I191 HydrophobicContact CD1-CG2 4.3Å
180	Q	98.7	Very high	98.1	Very high	57 Å²	57	50.8 Å²	50.8	27%	0.266	28%	0.278	S	S	.	.	S	Bend	trans	-141	111.3	168.4	175.9	173.8	-40.6	0	0	108.6	Y178 S182 P195	Y178-Q180 HydrophobicContact CE1-CB 3.62Å; Y178-Q180 PolarHBondContact OH-OE1 2.62Å; Q180-S182 PolarHBondContact N-OG 2.54Å; Q180-S182 VanDerWaalsContact N-OG 3.08Å; Q180-S182 PolarHBondContact O-N 2.95Å; Q180-S182 PolarHBondContact O-OG 2.87Å; Q180-P195 HydrophobicContact CG-CG 4.1Å
181	D	98.7	Very high	98.3	Very high	33 Å²	33	47.5 Å²	47.5	18%	0.176	26%	0.263	C	S	.	.	S	Bend	trans	49.7	42.2	-174.1	-59.2	-27.3	0	0	0	112.2	Y192 G193 S194 W196 K216	D181-Y192 WeakPolarHBondContact CA-OH 3.24Å; D181-G193 WeakPolarHBondContact CA-O 3.3Å; D181-G193 PolarHBondContact N-O 3.25Å; D181-S194 WeakPolarHBondContact OD1-CB 3.37Å; D181-S194 PolarHBondContact OD1-OG 2.92Å; D181-W196 VanDerWaalsContact OD1-CD1 3.25Å; D181-W196 PolarHBondContact OD1-NE1 3.11Å; D181-W196 VanDerWaalsContact OD1-NE1 3.17Å; D181-W196 PolarHBondContact OD2-NE1 2.86Å; D181-K216 IonicContact OD2-NZ 3.53Å; D181-K216 PolarHBondContact OD2-NZ 3.47Å
182	S	98.8	Very high	98.3	Very high	43 Å²	43	44 Å²	44	30%	0.301	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	165.7	-172.2	50.3	0	0	0	0	111.6	Q180 Y192 G193	Q180-S182 PolarHBondContact N-OG 2.54Å; Q180-S182 VanDerWaalsContact N-OG 3.08Å; Q180-S182 PolarHBondContact O-N 2.95Å; Q180-S182 PolarHBondContact O-OG 2.87Å; S182-Y192 WeakPolarHBondContact O-CA 3.28Å; S182-Y192 WeakPolarHBondContact O-CD2 3.41Å; S182-G193 PolarHBondContact N-O 3.43Å; S182-G193 PolarHBondContact O-N 2.81Å
183	E	98.7	Very high	98.4	Very high	76 Å²	76	40.9 Å²	40.9	36%	0.355	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	159.4	178.5	60.1	170.7	-154.7	0	0	113.5	R190 I191 Y192 P221	E183-R190 IonicContact OE1-CZ 3.47Å; E183-R190 IonicContact OE1-NE 3.89Å; E183-R190 IonicContact OE1-NH2 2.67Å; E183-R190 PolarHBondContact OE1-NH2 2.66Å; E183-R190 IonicContact OE2-CZ 3.3Å; E183-R190 IonicContact OE2-NE 3.82Å; E183-R190 IonicContact OE2-NH1 3.09Å; E183-R190 PolarHBondContact OE2-NH1 3.37Å; E183-R190 IonicContact OE2-NH2 3.3Å; E183-R190 PolarHBondContact OE2-NH2 3.09Å; E183-I191 CarbonylContact C-O 3.53Å; E183-I191 WeakPolarHBondContact CA-O 3.48Å; E183-I191 WeakPolarHBondContact CB-O 3.41Å; E183-Y192 HydrophobicContact CB-CD2 3.99Å; E183-P221 WeakPolarHBondContact OE2-CG 3.26Å
184	V	98.8	Very high	98.4	Very high	32 Å²	32	40.5 Å²	40.5	19%	0.194	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.1	166.8	68.2	0	0	0	0	110.1	I129 I177 L179 V186 I191	I129-V184 HydrophobicContact CD1-CG1 3.84Å; I177-V184 HydrophobicContact CD1-CG2 4.25Å; I177-V184 HydrophobicContact CG2-CB 4.22Å; I177-V184 HydrophobicContact CG2-CG1 4.16Å; I177-V184 HydrophobicContact CG2-CG2 4.29Å; L179-V184 HydrophobicContact CD1-CG1 4.16Å; L179-V184 HydrophobicContact CD2-CB 4.19Å; L179-V184 HydrophobicContact CD2-CG1 4.17Å; V184-V186 HydrophobicContact CG1-CG1 4.14Å; V184-V186 HydrophobicContact CG2-CG1 3.97Å; V184-I191 HydrophobicContact CG1-CB 4.36Å; V184-I191 PolarHBondContact N-O 3.3Å; V184-I191 PolarHBondContact O-N 3.3Å
185	T	98.5	Very high	98.4	Very high	83 Å²	83	35.4 Å²	35.4	51%	0.509	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	117.6	170.1	-57.2	0	0	0	0	109.8	F189 R190	T185-F189 CarbonylContact C-O 3.57Å; T185-F189 VanDerWaalsContact CA-O 3.27Å; T185-F189 WeakPolarHBondContact CA-O 3.43Å; T185-R190 HydrophobicContact CG2-CG 4.42Å
186	V	96.6	Very high	98.4	Very high	11 Å²	11	33.5 Å²	33.5	7%	0.067	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	130	179.2	-64.1	0	0	0	0	110.4	I127 I129 I177 V184 G188 F189 I191	I127-V186 HydrophobicContact CD1-CB 4.11Å; I127-V186 HydrophobicContact CG2-CB 4.21Å; I127-V186 HydrophobicContact CG2-CG1 3.95Å; I127-V186 HydrophobicContact CG2-CG2 4.25Å; I129-V186 HydrophobicContact CD1-CG1 4.48Å; I177-V186 HydrophobicContact CD1-CG1 4.12Å; V184-V186 HydrophobicContact CG1-CG1 4.14Å; V184-V186 HydrophobicContact CG2-CG1 3.97Å; V186-G188 PolarHBondContact O-N 3.45Å; V186-F189 PolarHBondContact N-O 2.97Å; V186-F189 PolarHBondContact O-N 3.3Å; V186-I191 HydrophobicContact CG2-CD1 3.44Å; V186-I191 VanDerWaalsContact CG2-CD1 3.44Å; V186-I191 HydrophobicContact CG2-CG1 4.17Å
187	R	95.7	Very high	98.4	Very high	125 Å²	125	32.4 Å²	32.4	47%	0.472	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	31.8	-174.7	-43.8	-168.2	93.3	-119.3	4.4	113.3	T75 I127 F189	T75-R187 PolarHBondContact OG1-NH1 3.44Å; I127-R187 HydrophobicContact CD1-CG 3.82Å; R187-F189 VanDerWaalsContact C-N 3.33Å; R187-F189 HydrophobicContact CB-CD2 4.3Å; R187-F189 PolarHBondContact O-N 2.86Å
188	G	96.8	Very high	98.3	Very high	43 Å²	43	30 Å²	30	44%	0.443	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-9.2	-177.2	0	0	0	0	0	115.8	V186	V186-G188 PolarHBondContact O-N 3.45Å
189	F	98.4	Very high	98	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132.3	177.4	-63.7	-86.1	0	0	0	110.8	T75 F77 T185 V186 R187 I191 D225 I226 L305 P306 P308	T75-F189 HydrophobicContact CG2-CE2 4.15Å; F77-F189 HydrophobicContact CE2-CD2 4.48Å; F77-F189 HydrophobicContact CE2-CE1 4.41Å; F77-F189 HydrophobicContact CE2-CE2 4.18Å; F77-F189 HydrophobicContact CE2-CZ 4.11Å; F77-F189 HydrophobicContact CZ-CD1 4.32Å; F77-F189 AromaticContact CZ-CD2 3.78Å; F77-F189 HydrophobicContact CZ-CD2 3.78Å; F77-F189 HydrophobicContact CZ-CE1 4.43Å; F77-F189 AromaticContact CZ-CE2 3.9Å; F77-F189 HydrophobicContact CZ-CE2 3.9Å; F77-F189 AromaticContact CZ-CG 3.97Å; F77-F189 HydrophobicContact CZ-CG 3.97Å; F77-F189 HydrophobicContact CZ-CZ 4.2Å; T185-F189 CarbonylContact C-O 3.57Å; T185-F189 VanDerWaalsContact CA-O 3.27Å; T185-F189 WeakPolarHBondContact CA-O 3.43Å; V186-F189 PolarHBondContact N-O 2.97Å; V186-F189 PolarHBondContact O-N 3.3Å; R187-F189 VanDerWaalsContact C-N 3.33Å; R187-F189 HydrophobicContact CB-CD2 4.3Å; R187-F189 PolarHBondContact O-N 2.86Å; F189-I191 HydrophobicContact CB-CG1 4.41Å; F189-D225 HydrophobicContact CD1-CB 4.23Å; F189-I226 HydrophobicContact CB-CD1 4.35Å; F189-I226 HydrophobicContact CD1-CD1 4.38Å; F189-I226 HydrophobicContact CG-CD1 4.47Å; F189-L305 HydrophobicContact CD1-CD1 4.35Å; F189-L305 HydrophobicContact CE1-CB 3.65Å; F189-L305 HydrophobicContact CE1-CD1 3.97Å; F189-L305 HydrophobicContact CE1-CG 4.45Å; F189-L305 HydrophobicContact CZ-CB 3.79Å; F189-P306 WeakPolarHBondContact CZ-O 3.35Å; F189-P308 HydrophobicContact CD1-CG 3.88Å; F189-P308 HydrophobicContact CD2-CG 4.28Å; F189-P308 HydrophobicContact CE1-CG 3.94Å; F189-P308 HydrophobicContact CE2-CG 4.33Å; F189-P308 HydrophobicContact CG-CG 4.08Å; F189-P308 VanDerWaalsContact CZ-CD 3.49Å; F189-P308 HydrophobicContact CZ-CG 4.2Å
190	R	98.8	Very high	97.4	Very high	47 Å²	47	39.9 Å²	39.9	18%	0.177	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	115.2	172.8	-60.8	-175	73.8	-114.6	13.8	109.7	E183 T185 N223 D225 I226	E183-R190 IonicContact OE1-CZ 3.47Å; E183-R190 IonicContact OE1-NE 3.89Å; E183-R190 IonicContact OE1-NH2 2.67Å; E183-R190 PolarHBondContact OE1-NH2 2.66Å; E183-R190 IonicContact OE2-CZ 3.3Å; E183-R190 IonicContact OE2-NE 3.82Å; E183-R190 IonicContact OE2-NH1 3.09Å; E183-R190 PolarHBondContact OE2-NH1 3.37Å; E183-R190 IonicContact OE2-NH2 3.3Å; E183-R190 PolarHBondContact OE2-NH2 3.09Å; T185-R190 HydrophobicContact CG2-CG 4.42Å; R190-N223 VanDerWaalsContact CZ-CG 3.5Å; R190-N223 VanDerWaalsContact NH1-C 3.26Å; R190-N223 PolarHBondContact NH1-ND2 3.4Å; R190-N223 PolarHBondContact NH1-O 3.49Å; R190-N223 PolarHBondContact NH1-OD1 3.38Å; R190-D225 PolarHBondContact N-OD2 3.29Å; R190-D225 PolarHBondContact O-N 2.99Å; R190-I226 PolarHBondContact O-N 2.73Å; R190-I226 VanDerWaalsContact O-N 3.1Å
191	I	98.9	Very high	96.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	121.5	-176	-48.8	-172	0	0	0	108.5	F77 I129 L179 E183 V184 V186 F189 I226 V228	F77-I191 HydrophobicContact CE1-CD1 4.24Å; I129-I191 HydrophobicContact CG1-CD1 4.2Å; I129-I191 HydrophobicContact CG2-CG2 4.35Å; L179-I191 HydrophobicContact CD1-CG2 4.3Å; E183-I191 CarbonylContact C-O 3.53Å; E183-I191 WeakPolarHBondContact CA-O 3.48Å; E183-I191 WeakPolarHBondContact CB-O 3.41Å; V184-I191 HydrophobicContact CG1-CB 4.36Å; V184-I191 PolarHBondContact N-O 3.3Å; V184-I191 PolarHBondContact O-N 3.3Å; V186-I191 HydrophobicContact CG2-CD1 3.44Å; V186-I191 VanDerWaalsContact CG2-CD1 3.44Å; V186-I191 HydrophobicContact CG2-CG1 4.17Å; F189-I191 HydrophobicContact CB-CG1 4.41Å; I191-I226 VanDerWaalsContact CA-O 3.3Å; I191-I226 WeakPolarHBondContact CA-O 3.28Å; I191-I226 HydrophobicContact CB-CB 4.49Å; I191-I226 HydrophobicContact CD1-CD1 4.15Å; I191-I226 HydrophobicContact CG1-CB 4.13Å; I191-I226 HydrophobicContact CG1-CD1 4.22Å; I191-I226 HydrophobicContact CG2-CB 4.23Å; I191-I226 HydrophobicContact CG2-CG2 4.26Å; I191-V228 HydrophobicContact CG2-CG2 3.92Å
192	Y	98.9	Very high	96	Very high	6 Å²	6	42.4 Å²	42.4	2%	0.024	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	134.9	175.5	-173.3	-83.5	0	0	0	110.1	D181 S182 E183 Q219 I220 P221 I226 L227 V228	D181-Y192 WeakPolarHBondContact CA-OH 3.24Å; S182-Y192 WeakPolarHBondContact O-CA 3.28Å; S182-Y192 WeakPolarHBondContact O-CD2 3.41Å; E183-Y192 HydrophobicContact CB-CD2 3.99Å; Y192-Q219 WeakPolarHBondContact OH-CB 3.43Å; Y192-I220 HydrophobicContact CD1-CB 4.35Å; Y192-I220 HydrophobicContact CD1-CG1 3.8Å; Y192-I220 HydrophobicContact CD1-CG2 4.24Å; Y192-I220 HydrophobicContact CE1-CB 4.37Å; Y192-I220 HydrophobicContact CE1-CG1 3.61Å; Y192-I220 HydrophobicContact CG-CG2 4.3Å; Y192-P221 HydrophobicContact CD2-CG 4.23Å; Y192-I226 PolarHBondContact N-O 3.19Å; Y192-L227 HydrophobicContact CD1-CD1 3.94Å; Y192-V228 PolarHBondContact O-N 3.4Å
193	G	98.9	Very high	95.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	135.4	-176.5	0	0	0	0	0	113	D181 S182 V228	D181-G193 WeakPolarHBondContact CA-O 3.3Å; D181-G193 PolarHBondContact N-O 3.25Å; S182-G193 PolarHBondContact N-O 3.43Å; S182-G193 PolarHBondContact O-N 2.81Å; G193-V228 CarbonylContact C-O 3.6Å; G193-V228 VanDerWaalsContact CA-O 3.3Å; G193-V228 WeakPolarHBondContact CA-O 3.39Å
194	S	98.9	Very high	95.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	133	177	-177.4	0	0	0	0	113	D181 W196 V228 T229 H230	D181-S194 WeakPolarHBondContact OD1-CB 3.37Å; D181-S194 PolarHBondContact OD1-OG 2.92Å; S194-W196 VanDerWaalsContact OG-CD1 3.24Å; S194-V228 PolarHBondContact N-O 3.22Å; S194-T229 VanDerWaalsContact O-CA 3.26Å; S194-T229 WeakPolarHBondContact O-CA 3.41Å; S194-H230 PolarHBondContact O-N 3.24Å
195	P	98.7	Very high	95.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.			trans	-87.1	-12.2	-173	35.7	-38.3	0	0	0	114.3	A132 Q180 F205	A132-P195 HydrophobicContact CB-CB 4.01Å; A132-P195 WeakPolarHBondContact O-CA 3.5Å; A132-P195 WeakPolarHBondContact O-CB 3.5Å; Q180-P195 HydrophobicContact CG-CG 4.1Å; P195-F205 HydrophobicContact CB-CB 4.24Å; P195-F205 HydrophobicContact CB-CD1 3.82Å; P195-F205 HydrophobicContact CB-CD2 4.05Å; P195-F205 HydrophobicContact CB-CE1 4.1Å; P195-F205 HydrophobicContact CB-CE2 4.32Å; P195-F205 HydrophobicContact CB-CG 3.77Å; P195-F205 HydrophobicContact CB-CZ 4.32Å; P195-F205 HydrophobicContact CG-CB 4.46Å; P195-F205 HydrophobicContact CG-CD1 3.32Å; P195-F205 HydrophobicContact CG-CD2 4.42Å; P195-F205 HydrophobicContact CG-CE1 3.45Å; P195-F205 VanDerWaalsContact CG-CE1 3.45Å; P195-F205 HydrophobicContact CG-CG 3.83Å; P195-F205 HydrophobicContact CG-CZ 4.06Å
196	W	98.7	Very high	95.5	Very high	21 Å²	21	34.3 Å²	34.3	8%	0.08	16%	0.157	C	C	.	.			trans	-63.1	148.9	-167.6	-59.6	103.1	0	0	0	113.4	D181 S194 F205 L207 L213 K216 W217	D181-W196 VanDerWaalsContact OD1-CD1 3.25Å; D181-W196 PolarHBondContact OD1-NE1 3.11Å; D181-W196 VanDerWaalsContact OD1-NE1 3.17Å; D181-W196 PolarHBondContact OD2-NE1 2.86Å; S194-W196 VanDerWaalsContact OG-CD1 3.24Å; W196-F205 WeakPolarHBondContact CA-O 3.21Å; W196-F205 HydrophobicContact CD2-CD1 4.37Å; W196-F205 HydrophobicContact CE3-CB 4.16Å; W196-F205 HydrophobicContact CE3-CD1 4.25Å; W196-F205 HydrophobicContact CH2-CD1 4.26Å; W196-F205 HydrophobicContact CZ2-CD1 4.33Å; W196-F205 HydrophobicContact CZ3-CD1 4.22Å; W196-L207 HydrophobicContact CB-CD1 4.38Å; W196-L207 HydrophobicContact CD2-CD1 3.71Å; W196-L207 HydrophobicContact CD2-CG 4.3Å; W196-L207 HydrophobicContact CE3-CD1 3.44Å; W196-L207 VanDerWaalsContact CE3-CD1 3.44Å; W196-L207 HydrophobicContact CE3-CD2 4.34Å; W196-L207 HydrophobicContact CE3-CG 3.52Å; W196-L207 HydrophobicContact CG-CD1 4.1Å; W196-L207 HydrophobicContact CZ3-CD1 3.96Å; W196-L207 HydrophobicContact CZ3-CD2 4.15Å; W196-L207 HydrophobicContact CZ3-CG 3.83Å; W196-L213 HydrophobicContact CB-CD2 4.1Å; W196-K216 HydrophobicContact CB-CG 4.44Å; W196-K216 VanDerWaalsContact CD1-CG 3.49Å; W196-K216 HydrophobicContact CD2-CD 4.43Å; W196-K216 HydrophobicContact CD2-CG 4.24Å; W196-K216 HydrophobicContact CG-CB 4.34Å; W196-K216 HydrophobicContact CG-CD 4.26Å; W196-K216 HydrophobicContact CG-CG 3.82Å; W196-K216 VanDerWaalsContact CZ2-CE 3.47Å; W196-K216 VanDerWaalsContact CZ2-NZ 3.3Å; W196-W217 HydrophobicContact CB-CH2 3.93Å; W196-W217 HydrophobicContact CB-CZ3 4.46Å; W196-W217 WeakPolarHBondContact O-CH2 3.43Å
197	Q	97.5	Very high	95.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	156.6	178.5	63.7	175.9	13.7	0	0	112.6	W199 F205 N206 L207 H230 C231 H269	Q197-W199 PolarHBondContact O-N 3.17Å; Q197-F205 WeakPolarHBondContact CG-O 3.42Å; Q197-F205 PolarHBondContact N-O 3.23Å; Q197-N206 WeakPolarHBondContact CG-OD1 3.25Å; Q197-N206 PolarHBondContact NE2-OD1 2.98Å; Q197-L207 PolarHBondContact O-N 3.43Å; Q197-H230 PolarHBondContact OE1-CD2 3.14Å; Q197-C231 HydrophobicContact CB-CB 3.6Å; Q197-H269 PolarHBondContact OE1-CE1 3.35Å; Q197-H269 PolarHBondContact OE1-ND1 3.33Å; Q197-H269 PolarHBondContact OE1-NE2 2.8Å
198	P	96.8	Very high	95.7	Very high	10 Å²	10	33.6 Å²	33.6	7%	0.065	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	136.1	164.8	-20.6	31.4	0	0	0	111.4	Y200 R209 L213 C249	P198-Y200 PolarHBondContact O-N 3.47Å; P198-R209 HydrophobicContact CB-CG 3.85Å; P198-R209 VanDerWaalsContact CB-CZ 3.45Å; P198-R209 HydrophobicContact CG-CG 4.48Å; P198-L213 HydrophobicContact CB-CD1 4.08Å; P198-L213 HydrophobicContact CG-CD1 3.69Å; P198-C249 HydrophobicContact CG-CB 3.86Å
199	W	93.4	Very high	95.8	Very high	166 Å²	166	34.3 Å²	34.3	63%	0.629	16%	0.156	S	C	*	.			trans	-42.5	128.5	-176.2	-171.1	95.7	0	0	0	114.5	Q197 G202 N206 L207	Q197-W199 PolarHBondContact O-N 3.17Å; W199-G202 VanDerWaalsContact CZ2-N 3.3Å; W199-N206 VanDerWaalsContact CA-OD1 3.29Å; W199-N206 WeakPolarHBondContact CA-OD1 3.43Å; W199-N206 HydrophobicContact CB-CB 4.45Å; W199-N206 HydrophobicContact CG-CB 4.35Å; W199-L207 PolarHBondContact N-O 2.81Å
200	Y	85.6	Confident	95.8	Very high	85 Å²	85	34.5 Å²	34.5	33%	0.333	16%	0.158	S	C	.	.			trans	-144	115.8	179.2	-179.1	-108.9	0	0	0	111.7	P198 G202 W203 N206 H269	P198-Y200 PolarHBondContact O-N 3.47Å; Y200-G202 PolarHBondContact O-N 3.09Å; Y200-W203 PolarHBondContact O-N 3.49Å; Y200-W203 VanDerWaalsContact O-N 3.16Å; Y200-N206 PolarHBondContact N-ND2 3.23Å; Y200-N206 PolarHBondContact N-OD1 3.39Å; Y200-N206 PolarHBondContact O-ND2 3.22Å; Y200-H269 AromaticContact CD1-CE1 3.79Å
201	Y	83.5	Confident	95.8	Very high	117 Å²	117	36.9 Å²	36.9	46%	0.459	17%	0.171	S	C	.	.	T	Hydrogen-bonded Turn	trans	42	26.3	174.8	-63.9	-68.6	0	0	0	117.1	W203 K243	Y201-W203 VanDerWaalsContact C-N 3.33Å; Y201-W203 PolarHBondContact O-N 3.38Å; Y201-K243 PolarHBondContact OH-NZ 3.41Å
202	G	86.3	Confident	95.7	Very high	26 Å²	26	38.4 Å²	38.4	27%	0.268	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.8	32.1	178.7	0	0	0	0	0	114.4	F143 W199 Y200	F143-G202 WeakPolarHBondContact CE2-O 3.37Å; F143-G202 WeakPolarHBondContact CZ-O 3.48Å; W199-G202 VanDerWaalsContact CZ2-N 3.3Å; Y200-G202 PolarHBondContact O-N 3.09Å
203	W	93.8	Very high	95.7	Very high	38 Å²	38	38.1 Å²	38.1	14%	0.144	18%	0.183	C	C	.	.			trans	-80.1	176	166.6	-69.8	89.3	0	0	0	112.2	L107 N134 H135 L137 F155 Y200 Y201 N206	L107-W203 HydrophobicContact CD2-CH2 4.11Å; L107-W203 HydrophobicContact CD2-CZ3 3.92Å; N134-W203 HydrophobicContact CB-CB 3.8Å; H135-W203 HydrophobicContact CB-CZ3 4.48Å; H135-W203 AromaticContact CE1-CH2 3.38Å; H135-W203 WeakPolarHBondContact CE1-CH2 3.15Å; H135-W203 AromaticContact CE1-CZ2 3.92Å; H135-W203 AromaticContact CE1-CZ3 3.59Å; H135-W203 AromaticContact CG-CZ3 3.84Å; H135-W203 AromaticContact ND1-CH2 3.65Å; H135-W203 AromaticContact ND1-CZ3 3.44Å; H135-W203 WeakPolarHBondContact ND1-CZ3 3.19Å; H135-W203 AromaticContact NE2-CH2 3.98Å; L137-W203 HydrophobicContact CD2-CE3 3.81Å; L137-W203 HydrophobicContact CD2-CZ3 4.43Å; L137-W203 HydrophobicContact CG-CE3 4.47Å; F155-W203 HydrophobicContact CE1-CD2 4.4Å; F155-W203 HydrophobicContact CE1-CE3 4.14Å; F155-W203 AromaticContact CE1-CH2 3.58Å; F155-W203 HydrophobicContact CE1-CH2 3.58Å; F155-W203 AromaticContact CE1-CZ2 3.85Å; F155-W203 HydrophobicContact CE1-CZ2 3.85Å; F155-W203 AromaticContact CE1-CZ3 3.73Å; F155-W203 HydrophobicContact CE1-CZ3 3.73Å; F155-W203 AromaticContact CZ-CD2 3.89Å; F155-W203 HydrophobicContact CZ-CD2 3.89Å; F155-W203 AromaticContact CZ-CE2 3.95Å; F155-W203 AromaticContact CZ-CE3 3.9Å; F155-W203 HydrophobicContact CZ-CE3 3.9Å; F155-W203 HydrophobicContact CZ-CH2 4.06Å; F155-W203 HydrophobicContact CZ-CZ2 4.04Å; F155-W203 AromaticContact CZ-CZ3 3.99Å; F155-W203 HydrophobicContact CZ-CZ3 3.99Å; Y200-W203 PolarHBondContact O-N 3.49Å; Y200-W203 VanDerWaalsContact O-N 3.16Å; Y201-W203 VanDerWaalsContact C-N 3.33Å; Y201-W203 PolarHBondContact O-N 3.38Å; W203-N206 PolarHBondContact N-ND2 2.8Å; W203-N206 VanDerWaalsContact N-ND2 3.13Å; W203-N206 PolarHBondContact O-ND2 3.02Å
204	G	95.7	Very high	95.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	163.4	176.4	0	0	0	0	0	113.1	N134 N206	N134-G204 PolarHBondContact O-N 2.79Å; G204-N206 PolarHBondContact O-N 2.98Å; G204-N206 VanDerWaalsContact O-N 3.1Å
205	F	97.7	Very high	95.7	Very high	1 Å²	1	42 Å²	42	0%	0.004	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.6	27.4	176.9	-59.6	-74.2	0	0	0	115.1	A132 G133 E136 F139 D140 P195 W196 Q197	A132-F205 HydrophobicContact CB-CD2 4.37Å; A132-F205 HydrophobicContact CB-CE2 3.64Å; A132-F205 HydrophobicContact CB-CZ 3.98Å; G133-F205 VanDerWaalsContact O-CD2 3.25Å; G133-F205 WeakPolarHBondContact O-CD2 3.5Å; E136-F205 HydrophobicContact CB-CE2 4.42Å; F139-F205 HydrophobicContact CB-CE2 3.86Å; F139-F205 HydrophobicContact CB-CZ 3.64Å; D140-F205 HydrophobicContact CB-CD1 4.3Å; D140-F205 HydrophobicContact CB-CD2 4.27Å; D140-F205 HydrophobicContact CB-CE1 4.09Å; D140-F205 HydrophobicContact CB-CE2 4.06Å; D140-F205 HydrophobicContact CB-CG 4.41Å; D140-F205 HydrophobicContact CB-CZ 3.98Å; D140-F205 PolarHBondContact OD2-N 3.14Å; P195-F205 HydrophobicContact CB-CB 4.24Å; P195-F205 HydrophobicContact CB-CD1 3.82Å; P195-F205 HydrophobicContact CB-CD2 4.05Å; P195-F205 HydrophobicContact CB-CE1 4.1Å; P195-F205 HydrophobicContact CB-CE2 4.32Å; P195-F205 HydrophobicContact CB-CG 3.77Å; P195-F205 HydrophobicContact CB-CZ 4.32Å; P195-F205 HydrophobicContact CG-CB 4.46Å; P195-F205 HydrophobicContact CG-CD1 3.32Å; P195-F205 HydrophobicContact CG-CD2 4.42Å; P195-F205 HydrophobicContact CG-CE1 3.45Å; P195-F205 VanDerWaalsContact CG-CE1 3.45Å; P195-F205 HydrophobicContact CG-CG 3.83Å; P195-F205 HydrophobicContact CG-CZ 4.06Å; W196-F205 WeakPolarHBondContact CA-O 3.21Å; W196-F205 HydrophobicContact CD2-CD1 4.37Å; W196-F205 HydrophobicContact CE3-CB 4.16Å; W196-F205 HydrophobicContact CE3-CD1 4.25Å; W196-F205 HydrophobicContact CH2-CD1 4.26Å; W196-F205 HydrophobicContact CZ2-CD1 4.33Å; W196-F205 HydrophobicContact CZ3-CD1 4.22Å; Q197-F205 WeakPolarHBondContact CG-O 3.42Å; Q197-F205 PolarHBondContact N-O 3.23Å
206	N	96.2	Very high	95.7	Very high	24 Å²	24	44 Å²	44	13%	0.128	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	129.8	175.9	-85.1	-35	0	0	0	111.2	Q197 W199 Y200 W203 G204	Q197-N206 WeakPolarHBondContact CG-OD1 3.25Å; Q197-N206 PolarHBondContact NE2-OD1 2.98Å; W199-N206 VanDerWaalsContact CA-OD1 3.29Å; W199-N206 WeakPolarHBondContact CA-OD1 3.43Å; W199-N206 HydrophobicContact CB-CB 4.45Å; W199-N206 HydrophobicContact CG-CB 4.35Å; Y200-N206 PolarHBondContact N-ND2 3.23Å; Y200-N206 PolarHBondContact N-OD1 3.39Å; Y200-N206 PolarHBondContact O-ND2 3.22Å; W203-N206 PolarHBondContact N-ND2 2.8Å; W203-N206 VanDerWaalsContact N-ND2 3.13Å; W203-N206 PolarHBondContact O-ND2 3.02Å; G204-N206 PolarHBondContact O-N 2.98Å; G204-N206 VanDerWaalsContact O-N 3.1Å
207	L	98	Very high	95.7	Very high	34 Å²	34	43 Å²	43	18%	0.178	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	152.7	166.9	-71.3	171.9	0	0	0	111.2	W196 Q197 W199 A212 L213 K216	W196-L207 HydrophobicContact CB-CD1 4.38Å; W196-L207 HydrophobicContact CD2-CD1 3.71Å; W196-L207 HydrophobicContact CD2-CG 4.3Å; W196-L207 HydrophobicContact CE3-CD1 3.44Å; W196-L207 VanDerWaalsContact CE3-CD1 3.44Å; W196-L207 HydrophobicContact CE3-CD2 4.34Å; W196-L207 HydrophobicContact CE3-CG 3.52Å; W196-L207 HydrophobicContact CG-CD1 4.1Å; W196-L207 HydrophobicContact CZ3-CD1 3.96Å; W196-L207 HydrophobicContact CZ3-CD2 4.15Å; W196-L207 HydrophobicContact CZ3-CG 3.83Å; Q197-L207 PolarHBondContact O-N 3.43Å; W199-L207 PolarHBondContact N-O 2.81Å; L207-A212 HydrophobicContact CB-CB 4.22Å; L207-A212 HydrophobicContact CD2-CB 4.43Å; L207-L213 HydrophobicContact CB-CD2 3.82Å; L207-L213 HydrophobicContact CB-CG 4.02Å; L207-L213 HydrophobicContact CD1-CD2 4.29Å; L207-K216 HydrophobicContact CD1-CG 3.72Å
208	P	98.1	Very high	95.8	Very high	87 Å²	87	46.6 Å²	46.6	57%	0.565	23%	0.227	S	C	*	.			trans	-57.3	144.7	168.1	-22.6	33.6	0	0	0	111.4
209	R	98.6	Very high	95.8	Very high	59 Å²	59	50.6 Å²	50.6	22%	0.223	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	153.5	170.2	-68.2	176.5	179.4	-83.8	-6.5	110.7	S36 P198 V247 G248	S36-R209 WeakPolarHBondContact O-CD 3.38Å; P198-R209 HydrophobicContact CB-CG 3.85Å; P198-R209 VanDerWaalsContact CB-CZ 3.45Å; P198-R209 HydrophobicContact CG-CG 4.48Å; R209-V247 PolarHBondContact NH2-O 3.32Å; R209-G248 PolarHBondContact NH1-O 2.88Å
210	G	98.4	Very high	96.1	Very high	4 Å²	4	42.7 Å²	42.7	4%	0.041	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	-132.9	-179.5	0	0	0	0	0	112.1	S36 A212 L213 L214	S36-G210 WeakPolarHBondContact OG-CA 3.33Å; S36-G210 PolarHBondContact OG-N 2.97Å; G210-A212 VanDerWaalsContact C-N 3.35Å; G210-A212 PolarHBondContact O-N 2.96Å; G210-L213 PolarHBondContact O-N 3.31Å; G210-L214 PolarHBondContact O-N 3.14Å
211	Q	98.5	Very high	96.7	Very high	97 Å²	97	40.2 Å²	40.2	45%	0.453	21%	0.209	S	C	.	.	H	α-helix	trans	-59	-41.3	-166.3	-168.1	62.4	51.9	0	0	113.4	V32 L213 L214 D215	V32-Q211 HydrophobicContact CG2-CB 4Å; V32-Q211 VanDerWaalsContact CG2-OE1 3.25Å; Q211-L213 VanDerWaalsContact C-N 3.33Å; Q211-L213 PolarHBondContact O-N 3.47Å; Q211-L214 CarbonylContact O-C 3.58Å; Q211-L214 WeakPolarHBondContact O-CB 3.18Å; Q211-L214 PolarHBondContact O-N 2.98Å; Q211-L214 VanDerWaalsContact O-N 3.09Å; Q211-D215 PolarHBondContact NE2-OD1 3.14Å; Q211-D215 PolarHBondContact O-N 3.25Å
212	A	98.4	Very high	97.3	Very high	32 Å²	32	37.6 Å²	37.6	26%	0.264	20%	0.203	S	C	.	.	H	α-helix	trans	-60.1	-41.8	-177.8	0	0	0	0	0	112.6	L207 G210	L207-A212 HydrophobicContact CB-CB 4.22Å; L207-A212 HydrophobicContact CD2-CB 4.43Å; G210-A212 VanDerWaalsContact C-N 3.35Å; G210-A212 PolarHBondContact O-N 2.96Å
213	L	98.7	Very high	97.9	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-72.6	-40.6	172.7	-76.8	175.5	0	0	0	112	W196 P198 L207 G210 Q211 D215 K216 W217	W196-L213 HydrophobicContact CB-CD2 4.1Å; P198-L213 HydrophobicContact CB-CD1 4.08Å; P198-L213 HydrophobicContact CG-CD1 3.69Å; L207-L213 HydrophobicContact CB-CD2 3.82Å; L207-L213 HydrophobicContact CB-CG 4.02Å; L207-L213 HydrophobicContact CD1-CD2 4.29Å; G210-L213 PolarHBondContact O-N 3.31Å; Q211-L213 VanDerWaalsContact C-N 3.33Å; Q211-L213 PolarHBondContact O-N 3.47Å; L213-D215 PolarHBondContact O-N 3.35Å; L213-K216 WeakPolarHBondContact O-CB 3.42Å; L213-K216 PolarHBondContact O-N 3.18Å; L213-W217 HydrophobicContact CD2-CZ2 3.82Å; L213-W217 PolarHBondContact O-N 2.86Å; L213-W217 PolarHBondContact O-NE1 3.39Å
214	L	98.8	Very high	98.1	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.01	21%	0.21	C	C	.	.	H	α-helix	trans	-58	-37.8	176.6	-176.6	57.2	0	0	0	112.2	V30 V32 G210 Q211 K216 W217 N218 E251	V30-L214 HydrophobicContact CB-CD1 4.03Å; V30-L214 HydrophobicContact CG1-CD1 3.7Å; V32-L214 HydrophobicContact CG2-CB 4.44Å; V32-L214 HydrophobicContact CG2-CD2 3.66Å; G210-L214 PolarHBondContact O-N 3.14Å; Q211-L214 CarbonylContact O-C 3.58Å; Q211-L214 WeakPolarHBondContact O-CB 3.18Å; Q211-L214 PolarHBondContact O-N 2.98Å; Q211-L214 VanDerWaalsContact O-N 3.09Å; L214-K216 PolarHBondContact O-N 3.45Å; L214-W217 CarbonylContact O-C 3.59Å; L214-W217 PolarHBondContact O-N 3.21Å; L214-W217 VanDerWaalsContact O-N 3.12Å; L214-N218 WeakPolarHBondContact O-CB 3.25Å; L214-N218 PolarHBondContact O-N 2.95Å; L214-N218 PolarHBondContact O-ND2 3.38Å; L214-E251 HydrophobicContact CB-CB 4.18Å; L214-E251 HydrophobicContact CB-CG 3.89Å; L214-E251 HydrophobicContact CD1-CB 4.19Å; L214-E251 HydrophobicContact CD1-CG 4.33Å; L214-E251 HydrophobicContact CG-CG 4.49Å
215	D	98.7	Very high	98.2	Very high	79 Å²	79	40.8 Å²	40.8	42%	0.422	22%	0.217	S	C	.	.	H	α-helix	trans	-61.7	-33.1	176.5	-68.2	-23.7	0	0	0	112.2	Q211 L213 Q219	Q211-D215 PolarHBondContact NE2-OD1 3.14Å; Q211-D215 PolarHBondContact O-N 3.25Å; L213-D215 PolarHBondContact O-N 3.35Å; D215-Q219 PolarHBondContact O-NE2 3.33Å; D215-Q219 VanDerWaalsContact O-NE2 3.07Å
216	K	98.7	Very high	98.3	Very high	43 Å²	43	40.8 Å²	40.8	19%	0.187	22%	0.217	C	C	.	.	H	α-helix	trans	-72.8	-44.9	171.1	-63.2	-59.4	-169.3	162.1	0	111.4	D181 W196 L207 L213 L214 N218 Q219	D181-K216 IonicContact OD2-NZ 3.53Å; D181-K216 PolarHBondContact OD2-NZ 3.47Å; W196-K216 HydrophobicContact CB-CG 4.44Å; W196-K216 VanDerWaalsContact CD1-CG 3.49Å; W196-K216 HydrophobicContact CD2-CD 4.43Å; W196-K216 HydrophobicContact CD2-CG 4.24Å; W196-K216 HydrophobicContact CG-CB 4.34Å; W196-K216 HydrophobicContact CG-CD 4.26Å; W196-K216 HydrophobicContact CG-CG 3.82Å; W196-K216 VanDerWaalsContact CZ2-CE 3.47Å; W196-K216 VanDerWaalsContact CZ2-NZ 3.3Å; L207-K216 HydrophobicContact CD1-CG 3.72Å; L213-K216 WeakPolarHBondContact O-CB 3.42Å; L213-K216 PolarHBondContact O-N 3.18Å; L214-K216 PolarHBondContact O-N 3.45Å; K216-N218 VanDerWaalsContact C-N 3.28Å; K216-N218 PolarHBondContact O-N 3.38Å; K216-Q219 WeakPolarHBondContact O-CB 3.39Å; K216-Q219 PolarHBondContact O-N 3.44Å; K216-Q219 VanDerWaalsContact O-N 3.11Å
217	W	98.7	Very high	98.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-68	-27	-179.8	-49.7	145.3	0	0	0	113.4	W196 L213 L214 Q219 I220 T229 C249 L252 T255 R259	W196-W217 HydrophobicContact CB-CH2 3.93Å; W196-W217 HydrophobicContact CB-CZ3 4.46Å; W196-W217 WeakPolarHBondContact O-CH2 3.43Å; L213-W217 HydrophobicContact CD2-CZ2 3.82Å; L213-W217 PolarHBondContact O-N 2.86Å; L213-W217 PolarHBondContact O-NE1 3.39Å; L214-W217 CarbonylContact O-C 3.59Å; L214-W217 PolarHBondContact O-N 3.21Å; L214-W217 VanDerWaalsContact O-N 3.12Å; W217-Q219 PolarHBondContact O-N 3Å; W217-I220 HydrophobicContact CB-CD1 4.23Å; W217-I220 HydrophobicContact CE3-CD1 4.07Å; W217-I220 WeakPolarHBondContact O-CB 3.21Å; W217-I220 WeakPolarHBondContact O-CG1 3.41Å; W217-I220 PolarHBondContact O-N 3.04Å; W217-T229 HydrophobicContact CH2-CG2 4.36Å; W217-T229 HydrophobicContact CZ3-CG2 4.1Å; W217-C249 PolarHBondContact NE1-SG 2.96Å; W217-L252 HydrophobicContact CD2-CB 4.47Å; W217-L252 HydrophobicContact CD2-CD1 3.89Å; W217-L252 HydrophobicContact CE3-CD1 4.1Å; W217-L252 HydrophobicContact CG-CD1 4.25Å; W217-L252 HydrophobicContact CZ2-CB 4.42Å; W217-L252 HydrophobicContact CZ2-CD1 4.44Å; W217-L252 HydrophobicContact CZ2-CD2 4.3Å; W217-L252 HydrophobicContact CZ3-CD1 4.46Å; W217-T255 HydrophobicContact CB-CG2 4.2Å; W217-R259 PolarHBondContact O-NH2 3.42Å
218	N	98.5	Very high	98.5	Very high	74 Å²	74	38 Å²	38	40%	0.396	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-20.9	173.7	-77.9	-23.4	0	0	0	113.1	L214 K216 I220	L214-N218 WeakPolarHBondContact O-CB 3.25Å; L214-N218 PolarHBondContact O-N 2.95Å; L214-N218 PolarHBondContact O-ND2 3.38Å; K216-N218 VanDerWaalsContact C-N 3.28Å; K216-N218 PolarHBondContact O-N 3.38Å; N218-I220 VanDerWaalsContact C-N 3.31Å
219	Q	98.6	Very high	98.5	Very high	94 Å²	94	33.9 Å²	33.9	44%	0.439	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-16.9	176.7	-64.3	169.7	59.4	0	0	112.7	Y192 D215 K216 W217 P221	Y192-Q219 WeakPolarHBondContact OH-CB 3.43Å; D215-Q219 PolarHBondContact O-NE2 3.33Å; D215-Q219 VanDerWaalsContact O-NE2 3.07Å; K216-Q219 WeakPolarHBondContact O-CB 3.39Å; K216-Q219 PolarHBondContact O-N 3.44Å; K216-Q219 VanDerWaalsContact O-N 3.11Å; W217-Q219 PolarHBondContact O-N 3Å; Q219-P221 WeakPolarHBondContact O-CD 3.36Å
220	I	98.7	Very high	98.5	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.005	17%	0.165	C	C	.	.	S	Bend	trans	-66	119.1	178.5	-55.5	166.5	0	0	0	109.2	Y192 W217 N218 L227 L252 T255 R259 V260	Y192-I220 HydrophobicContact CD1-CB 4.35Å; Y192-I220 HydrophobicContact CD1-CG1 3.8Å; Y192-I220 HydrophobicContact CD1-CG2 4.24Å; Y192-I220 HydrophobicContact CE1-CB 4.37Å; Y192-I220 HydrophobicContact CE1-CG1 3.61Å; Y192-I220 HydrophobicContact CG-CG2 4.3Å; W217-I220 HydrophobicContact CB-CD1 4.23Å; W217-I220 HydrophobicContact CE3-CD1 4.07Å; W217-I220 WeakPolarHBondContact O-CB 3.21Å; W217-I220 WeakPolarHBondContact O-CG1 3.41Å; W217-I220 PolarHBondContact O-N 3.04Å; N218-I220 VanDerWaalsContact C-N 3.31Å; I220-L227 HydrophobicContact CD1-CD1 3.89Å; I220-L227 HydrophobicContact CD1-CD2 4.1Å; I220-L227 HydrophobicContact CG1-CD1 4.24Å; I220-L227 HydrophobicContact CG2-CD1 4.15Å; I220-L252 HydrophobicContact CD1-CD1 4.38Å; I220-T255 HydrophobicContact CD1-CG2 4.17Å; I220-R259 PolarHBondContact O-NH1 3.32Å; I220-R259 PolarHBondContact O-NH2 2.97Å; I220-V260 HydrophobicContact CB-CG2 4.17Å; I220-V260 HydrophobicContact CG2-CB 4.49Å; I220-V260 HydrophobicContact CG2-CG1 3.95Å; I220-V260 HydrophobicContact CG2-CG2 3.75Å
221	P	98.3	Very high	98.5	Very high	32 Å²	32	31 Å²	31	21%	0.208	16%	0.164	C	C	.	.			trans	-65.7	144	179.3	-25.2	38.3	0	0	0	112.3	E183 Y192 Q219 N223 T224	E183-P221 WeakPolarHBondContact OE2-CG 3.26Å; Y192-P221 HydrophobicContact CD2-CG 4.23Å; Q219-P221 WeakPolarHBondContact O-CD 3.36Å; P221-N223 VanDerWaalsContact C-N 3.28Å; P221-N223 PolarHBondContact O-N 3.31Å; P221-T224 WeakPolarHBondContact O-CB 3.5Å; P221-T224 PolarHBondContact O-N 2.92Å; P221-T224 PolarHBondContact O-OG1 3.32Å
222	D	97.3	Very high	98.5	Very high	62 Å²	62	26.5 Å²	26.5	33%	0.332	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-40.8	-178.9	-84	5.7	0	0	0	112.7	R27 T224 R259	R27-D222 VanDerWaalsContact CD-OD2 3.29Å; R27-D222 WeakPolarHBondContact CD-OD2 3.33Å; R27-D222 VanDerWaalsContact NH1-CB 3.29Å; R27-D222 PolarHBondContact NH1-O 3.09Å; D222-T224 PolarHBondContact O-N 2.87Å; D222-R259 WeakPolarHBondContact OD1-CG 3.45Å; D222-R259 IonicContact OD1-CZ 2.84Å; D222-R259 IonicContact OD1-NH1 2.91Å; D222-R259 PolarHBondContact OD1-NH1 3Å
223	N	96.9	Very high	98.6	Very high	98 Å²	98	25 Å²	25	52%	0.524	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	31.8	-178	57.1	-32	0	0	0	113.6	R190 P221	R190-N223 VanDerWaalsContact CZ-CG 3.5Å; R190-N223 VanDerWaalsContact NH1-C 3.26Å; R190-N223 PolarHBondContact NH1-ND2 3.4Å; R190-N223 PolarHBondContact NH1-O 3.49Å; R190-N223 PolarHBondContact NH1-OD1 3.38Å; P221-N223 VanDerWaalsContact C-N 3.28Å; P221-N223 PolarHBondContact O-N 3.31Å
224	T	98.6	Very high	98.6	Very high	5 Å²	5	25 Å²	25	3%	0.031	13%	0.131	C	C	.	.			trans	-74.1	124.9	172.5	-61.4	0	0	0	0	109.8	P221 D222 I226 L227 P262	P221-T224 WeakPolarHBondContact O-CB 3.5Å; P221-T224 PolarHBondContact O-N 2.92Å; P221-T224 PolarHBondContact O-OG1 3.32Å; D222-T224 PolarHBondContact O-N 2.87Å; T224-I226 WeakPolarHBondContact CG2-O 3.25Å; T224-L227 HydrophobicContact CG2-CB 4.46Å; T224-P262 WeakPolarHBondContact O-CA 3.22Å
225	D	98.7	Very high	98.6	Very high	29 Å²	29	25 Å²	25	16%	0.155	13%	0.131	C	C	.	.	S	Bend	trans	-82.3	-40.9	174.5	-71	-72.9	0	0	0	111.5	F189 R190 P262 K263 L264	F189-D225 HydrophobicContact CD1-CB 4.23Å; R190-D225 PolarHBondContact N-OD2 3.29Å; R190-D225 PolarHBondContact O-N 2.99Å; D225-P262 WeakPolarHBondContact O-CB 3.3Å; D225-K263 PolarHBondContact O-N 2.87Å; D225-K263 IonicContact OD1-NZ 2.78Å; D225-K263 PolarHBondContact OD1-NZ 3.33Å; D225-L264 PolarHBondContact O-N 2.92Å
226	I	98.9	Very high	98.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	121.5	-175.4	-53.4	177.4	0	0	0	108.7	F77 I99 F189 R190 I191 Y192 T224 V228 L264 L305	F77-I226 HydrophobicContact CD1-CD1 3.9Å; F77-I226 HydrophobicContact CD2-CD1 4.37Å; F77-I226 HydrophobicContact CE1-CD1 3.32Å; F77-I226 HydrophobicContact CE2-CD1 3.89Å; F77-I226 HydrophobicContact CG-CD1 4.38Å; F77-I226 HydrophobicContact CZ-CD1 3.32Å; I99-I226 HydrophobicContact CD1-CG2 4.17Å; F189-I226 HydrophobicContact CB-CD1 4.35Å; F189-I226 HydrophobicContact CD1-CD1 4.38Å; F189-I226 HydrophobicContact CG-CD1 4.47Å; R190-I226 PolarHBondContact O-N 2.73Å; R190-I226 VanDerWaalsContact O-N 3.1Å; I191-I226 VanDerWaalsContact CA-O 3.3Å; I191-I226 WeakPolarHBondContact CA-O 3.28Å; I191-I226 HydrophobicContact CB-CB 4.49Å; I191-I226 HydrophobicContact CD1-CD1 4.15Å; I191-I226 HydrophobicContact CG1-CB 4.13Å; I191-I226 HydrophobicContact CG1-CD1 4.22Å; I191-I226 HydrophobicContact CG2-CB 4.23Å; I191-I226 HydrophobicContact CG2-CG2 4.26Å; Y192-I226 PolarHBondContact N-O 3.19Å; T224-I226 WeakPolarHBondContact CG2-O 3.25Å; I226-V228 HydrophobicContact CG2-CG2 4.35Å; I226-L264 CarbonylContact C-O 3.58Å; I226-L264 WeakPolarHBondContact CA-O 3.31Å; I226-L264 HydrophobicContact CD1-CD2 4.49Å; I226-L264 HydrophobicContact CG1-CB 4.27Å; I226-L264 HydrophobicContact CG2-CB 4.26Å; I226-L264 HydrophobicContact CG2-CD2 4.03Å; I226-L264 HydrophobicContact CG2-CG 4.22Å; I226-L305 HydrophobicContact CD1-CD1 3.89Å; I226-L305 HydrophobicContact CG1-CD1 4.03Å
227	L	98.9	Very high	98.6	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	133.2	173.8	179.7	60.8	0	0	0	109.4	Y192 I220 T224 T229 L252 V256 P262 L264 H265 V266	Y192-L227 HydrophobicContact CD1-CD1 3.94Å; I220-L227 HydrophobicContact CD1-CD1 3.89Å; I220-L227 HydrophobicContact CD1-CD2 4.1Å; I220-L227 HydrophobicContact CG1-CD1 4.24Å; I220-L227 HydrophobicContact CG2-CD1 4.15Å; T224-L227 HydrophobicContact CG2-CB 4.46Å; L227-T229 HydrophobicContact CD1-CG2 4.1Å; L227-T229 HydrophobicContact CD2-CG2 4.33Å; L227-T229 HydrophobicContact CG-CG2 4.08Å; L227-L252 HydrophobicContact CD2-CD1 4.15Å; L227-V256 HydrophobicContact CD2-CG2 3.66Å; L227-P262 HydrophobicContact CB-CB 4.3Å; L227-P262 HydrophobicContact CB-CG 4.08Å; L227-L264 PolarHBondContact N-O 3.18Å; L227-H265 HydrophobicContact CB-CB 4.5Å; L227-H265 CarbonylContact O-C 3.51Å; L227-H265 VanDerWaalsContact O-CA 3.31Å; L227-H265 WeakPolarHBondContact O-CA 3.21Å; L227-H265 PolarHBondContact O-CD2 2.81Å; L227-V266 PolarHBondContact O-N 3.44Å
228	V	98.9	Very high	98.6	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.006	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.7	172.8	-166.4	0	0	0	0	108.1	I99 A101 I131 I191 Y192 G193 S194 I226 V266	I99-V228 HydrophobicContact CG2-CG1 3.89Å; I99-V228 HydrophobicContact CG2-CG2 3.81Å; A101-V228 HydrophobicContact CB-CG1 3.82Å; I131-V228 HydrophobicContact CD1-CG1 3.8Å; I131-V228 HydrophobicContact CG1-CG1 3.94Å; I131-V228 HydrophobicContact CG2-CB 4.25Å; I131-V228 HydrophobicContact CG2-CG1 4.1Å; I191-V228 HydrophobicContact CG2-CG2 3.92Å; Y192-V228 PolarHBondContact O-N 3.4Å; G193-V228 CarbonylContact C-O 3.6Å; G193-V228 VanDerWaalsContact CA-O 3.3Å; G193-V228 WeakPolarHBondContact CA-O 3.39Å; S194-V228 PolarHBondContact N-O 3.22Å; I226-V228 HydrophobicContact CG2-CG2 4.35Å; V228-V266 WeakPolarHBondContact CA-O 3.34Å
229	T	98.9	Very high	98.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	155.5	172.2	58	0	0	0	0	109.9	S194 W217 L227 C231 L252 H265 V266 F267	S194-T229 VanDerWaalsContact O-CA 3.26Å; S194-T229 WeakPolarHBondContact O-CA 3.41Å; W217-T229 HydrophobicContact CH2-CG2 4.36Å; W217-T229 HydrophobicContact CZ3-CG2 4.1Å; L227-T229 HydrophobicContact CD1-CG2 4.1Å; L227-T229 HydrophobicContact CD2-CG2 4.33Å; L227-T229 HydrophobicContact CG-CG2 4.08Å; T229-C231 PolarHBondContact OG1-O 3.47Å; T229-L252 HydrophobicContact CG2-CD1 4.2Å; T229-L252 HydrophobicContact CG2-CD2 4.23Å; T229-H265 PolarHBondContact OG1-NE2 2.91Å; T229-V266 PolarHBondContact N-O 3.31Å; T229-F267 WeakPolarHBondContact O-CA 3.46Å; T229-F267 WeakPolarHBondContact O-CB 3.22Å
230	H	98.9	Very high	98.5	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.089	C	C	.	.	S	Bend	trans	-73.3	-48.7	174.6	-176.4	53.7	0	0	0	110.9	D82 A101 D103 I131 G133 N134 S194 Q197 G268 H269	D82-H230 IonicContact OD1-CE1 3.73Å; D82-H230 PolarHBondContact OD1-CE1 2.85Å; A101-H230 PolarHBondContact O-ND1 3.13Å; D103-H230 IonicContact OD1-CE1 2.72Å; D103-H230 IonicContact OD1-NE2 3.81Å; D103-H230 IonicContact OD2-CE1 3.66Å; D103-H230 PolarHBondContact OD2-CE1 2.95Å; D103-H230 VanDerWaalsContact OD2-CE1 3.3Å; D103-H230 IonicContact OD2-NE2 3.91Å; D103-H230 PolarHBondContact OD2-NE2 2.89Å; I131-H230 HydrophobicContact CD1-CB 4.26Å; I131-H230 VanDerWaalsContact CD1-N 3.33Å; G133-H230 VanDerWaalsContact CA-CD2 3.46Å; G133-H230 WeakPolarHBondContact CA-CD2 3.47Å; N134-H230 PolarHBondContact N-CD2 2.98Å; N134-H230 PolarHBondContact N-NE2 2.95Å; N134-H230 PolarHBondContact OD1-NE2 2.93Å; N134-H230 VanDerWaalsContact OD1-NE2 3.09Å; S194-H230 PolarHBondContact O-N 3.24Å; Q197-H230 PolarHBondContact OE1-CD2 3.14Å; H230-G268 CarbonylContact O-C 3.56Å; H230-G268 PolarHBondContact O-N 3.48Å; H230-H269 AromaticContact CD2-ND1 3.86Å; H230-H269 AromaticContact NE2-CG 3.65Å; H230-H269 AromaticContact NE2-ND1 3.22Å; H230-H269 PolarHBondContact NE2-ND1 2.77Å; H230-H269 WeakPolarHBondContact O-CB 3.4Å
231	C	98.4	Very high	98.4	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.014	11%	0.109	C	C	.	.	S	Bend	trans	-81.4	153.5	178.8	81.9	0	0	0	0	113.5	Q197 T229	Q197-C231 HydrophobicContact CB-CB 3.6Å; T229-C231 PolarHBondContact OG1-O 3.47Å
232	P	98.8	Very high	98.2	Very high	2 Å²	2	27 Å²	27	1%	0.013	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-75.6	152.1	172.6	30	-35.4	0	0	0	113.1	D238 G248 C249 F267 I270	P232-D238 HydrophobicContact CB-CB 3.84Å; P232-D238 HydrophobicContact CG-CB 3.55Å; P232-G248 CarbonylContact O-C 3.59Å; P232-G248 WeakPolarHBondContact O-CA 3.46Å; P232-C249 PolarHBondContact O-N 3.28Å; P232-F267 HydrophobicContact CB-CD2 3.58Å; P232-F267 HydrophobicContact CB-CE2 3.44Å; P232-F267 VanDerWaalsContact CB-CE2 3.44Å; P232-F267 HydrophobicContact CB-CG 4.29Å; P232-F267 HydrophobicContact CB-CZ 4.07Å; P232-I270 HydrophobicContact CG-CG1 3.7Å
233	P	98.9	Very high	98.1	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	B	Isolated β-bridge	trans	-69.8	154.4	161.8	30.3	-29.3	0	0	0	110.3	G235 F236 L252 L253 F267 F284	P233-G235 PolarHBondContact O-N 2.89Å; P233-F236 HydrophobicContact CG-CB 4.23Å; P233-F236 PolarHBondContact O-N 2.96Å; P233-L252 HydrophobicContact CB-CB 4.45Å; P233-L252 HydrophobicContact CB-CD2 4.3Å; P233-L252 HydrophobicContact CB-CG 4.1Å; P233-L253 HydrophobicContact CB-CB 4Å; P233-L253 HydrophobicContact CB-CD1 4.33Å; P233-F267 HydrophobicContact CG-CE1 4.27Å; P233-F284 HydrophobicContact CG-CD1 3.74Å; P233-F284 HydrophobicContact CG-CE1 3.72Å
234	L	98.9	Very high	98.1	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	134	179	176.6	69.8	0	0	0	112.3	P39 A42 F43 F53 F236 R246 C249 M250 L253	P39-L234 HydrophobicContact CB-CD1 3.6Å; P39-L234 VanDerWaalsContact O-CD1 3.27Å; P39-L234 WeakPolarHBondContact O-CD1 3.49Å; A42-L234 HydrophobicContact CB-CD2 3.54Å; F43-L234 HydrophobicContact CB-CD1 4.29Å; F43-L234 HydrophobicContact CB-CD2 4.48Å; F53-L234 HydrophobicContact CZ-CD2 4.44Å; L234-F236 VanDerWaalsContact C-N 3.27Å; L234-F236 WeakPolarHBondContact O-CD2 3.32Å; L234-F236 PolarHBondContact O-N 2.97Å; L234-R246 HydrophobicContact CD1-CB 3.83Å; L234-R246 HydrophobicContact CD1-CG 4.42Å; L234-C249 PolarHBondContact N-O 3.04Å; L234-M250 HydrophobicContact CB-SD 4.28Å; L234-M250 HydrophobicContact CD2-CB 4.41Å; L234-M250 HydrophobicContact CD2-CG 4.39Å; L234-M250 HydrophobicContact CD2-SD 3.33Å; L234-M250 WeakPolarHBondContact CD2-SD 3.47Å; L234-M250 HydrophobicContact CG-SD 4.41Å; L234-L253 HydrophobicContact CB-CB 4.14Å; L234-L253 HydrophobicContact CB-CD2 4.01Å; L234-L253 HydrophobicContact CD2-CD2 4.4Å; L234-L253 HydrophobicContact CG-CD2 4.43Å; L234-L253 WeakPolarHBondContact O-CD2 3.47Å
235	G	98.6	Very high	98	Very high	2 Å²	2	33.4 Å²	33.4	2%	0.021	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.3	-13.4	169.4	0	0	0	0	0	115.6	P233 D238 R246	P233-G235 PolarHBondContact O-N 2.89Å; G235-D238 WeakPolarHBondContact CA-OD1 3.16Å; G235-D238 PolarHBondContact N-OD1 3.43Å; G235-D238 PolarHBondContact N-OD2 3.03Å; G235-R246 PolarHBondContact O-NH1 3.36Å
236	F	98.8	Very high	98	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-106.8	106.2	177	-66.6	-92.2	0	0	0	109.4	F53 V58 P233 L234 D238 L253 M277 D279 F284	F53-F236 HydrophobicContact CD1-CE2 4.24Å; F53-F236 HydrophobicContact CE1-CE2 4.17Å; V58-F236 HydrophobicContact CG1-CE1 3.97Å; V58-F236 HydrophobicContact CG1-CZ 4.3Å; V58-F236 HydrophobicContact CG2-CZ 4.22Å; P233-F236 HydrophobicContact CG-CB 4.23Å; P233-F236 PolarHBondContact O-N 2.96Å; L234-F236 VanDerWaalsContact C-N 3.27Å; L234-F236 WeakPolarHBondContact O-CD2 3.32Å; L234-F236 PolarHBondContact O-N 2.97Å; F236-D238 PolarHBondContact O-N 3.42Å; F236-D238 VanDerWaalsContact O-N 3.14Å; F236-L253 HydrophobicContact CD2-CD1 3.77Å; F236-L253 HydrophobicContact CE2-CD1 3.51Å; F236-M277 HydrophobicContact CD1-CB 3.9Å; F236-M277 HydrophobicContact CD1-CE 4.33Å; F236-M277 HydrophobicContact CD1-SD 4.34Å; F236-D279 HydrophobicContact CE1-CB 4.09Å; F236-D279 HydrophobicContact CZ-CB 3.86Å; F236-F284 HydrophobicContact CB-CB 4.15Å; F236-F284 HydrophobicContact CB-CD1 4.05Å; F236-F284 HydrophobicContact CB-CD2 4.47Å; F236-F284 HydrophobicContact CB-CG 3.97Å; F236-F284 HydrophobicContact CD1-CB 4.16Å; F236-F284 HydrophobicContact CD1-CD1 4.23Å; F236-F284 AromaticContact CD1-CD2 3.24Å; F236-F284 HydrophobicContact CD1-CD2 3.24Å; F236-F284 HydrophobicContact CD1-CE1 4.47Å; F236-F284 AromaticContact CD1-CE2 3.56Å; F236-F284 HydrophobicContact CD1-CE2 3.56Å; F236-F284 AromaticContact CD1-CG 3.62Å; F236-F284 HydrophobicContact CD1-CG 3.62Å; F236-F284 HydrophobicContact CD1-CZ 4.17Å; F236-F284 HydrophobicContact CD2-CD1 4.48Å; F236-F284 HydrophobicContact CD2-CE1 4.22Å; F236-F284 HydrophobicContact CD2-CE2 4.32Å; F236-F284 HydrophobicContact CD2-CZ 4.14Å; F236-F284 AromaticContact CE1-CD2 3.5Å; F236-F284 HydrophobicContact CE1-CD2 3.5Å; F236-F284 AromaticContact CE1-CE2 3.38Å; F236-F284 HydrophobicContact CE1-CE2 3.38Å; F236-F284 HydrophobicContact CE1-CG 4.31Å; F236-F284 HydrophobicContact CE1-CZ 4.1Å; F236-F284 HydrophobicContact CE2-CE2 4.2Å; F236-F284 HydrophobicContact CE2-CZ 4.1Å; F236-F284 HydrophobicContact CG-CB 4.41Å; F236-F284 AromaticContact CG-CD1 3.99Å; F236-F284 HydrophobicContact CG-CD1 3.99Å; F236-F284 AromaticContact CG-CD2 3.85Å; F236-F284 HydrophobicContact CG-CD2 3.85Å; F236-F284 HydrophobicContact CG-CE1 4.16Å; F236-F284 HydrophobicContact CG-CE2 4.04Å; F236-F284 AromaticContact CG-CG 3.82Å; F236-F284 HydrophobicContact CG-CG 3.82Å; F236-F284 HydrophobicContact CG-CZ 4.19Å; F236-F284 HydrophobicContact CZ-CD2 4.29Å; F236-F284 AromaticContact CZ-CE2 3.74Å; F236-F284 HydrophobicContact CZ-CE2 3.74Å; F236-F284 HydrophobicContact CZ-CZ 4.08Å
237	L	98.7	Very high	98	Very high	15 Å²	15	35.3 Å²	35.3	8%	0.079	17%	0.166	C	C	.	.	S	Bend	trans	55.4	32.7	173.6	-55.6	174.6	0	0	0	114.3	M60 F267 G273 G275 M277 N286	M60-L237 HydrophobicContact CE-CD2 4Å; M60-L237 HydrophobicContact SD-CD2 4.22Å; L237-F267 HydrophobicContact CB-CE2 4.02Å; L237-F267 HydrophobicContact CB-CZ 4.22Å; L237-F267 HydrophobicContact CD1-CZ 4.34Å; L237-G273 WeakPolarHBondContact CB-O 3.24Å; L237-G273 WeakPolarHBondContact CD2-O 3.33Å; L237-G275 WeakPolarHBondContact CD1-O 3.27Å; L237-M277 HydrophobicContact CD2-CG 3.73Å; L237-M277 HydrophobicContact CD2-SD 3.74Å; L237-M277 HydrophobicContact CG-CG 3.98Å; L237-M277 HydrophobicContact CG-SD 3.92Å; L237-N286 HydrophobicContact CB-CB 3.78Å; L237-N286 HydrophobicContact CD1-CB 3.56Å; L237-N286 HydrophobicContact CG-CB 4.29Å; L237-N286 PolarHBondContact O-ND2 3.34Å
238	D	98.6	Very high	98	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.166	C	C	.	.			trans	-120.4	15.7	-172.8	76.7	-39.2	0	0	0	113.6	P232 G235 F236 R246 V247 G248	P232-D238 HydrophobicContact CB-CB 3.84Å; P232-D238 HydrophobicContact CG-CB 3.55Å; G235-D238 WeakPolarHBondContact CA-OD1 3.16Å; G235-D238 PolarHBondContact N-OD1 3.43Å; G235-D238 PolarHBondContact N-OD2 3.03Å; F236-D238 PolarHBondContact O-N 3.42Å; F236-D238 VanDerWaalsContact O-N 3.14Å; D238-R246 WeakPolarHBondContact OD1-CD 3.45Å; D238-R246 IonicContact OD1-CZ 3.37Å; D238-R246 IonicContact OD1-NE 3.9Å; D238-R246 IonicContact OD1-NH1 3.37Å; D238-R246 PolarHBondContact OD1-NH1 3.12Å; D238-V247 WeakPolarHBondContact O-CG2 3.4Å; D238-V247 PolarHBondContact O-N 3.25Å; D238-V247 PolarHBondContact OD2-N 3.17Å; D238-G248 WeakPolarHBondContact OD2-CA 3.36Å; D238-G248 PolarHBondContact OD2-N 3.07Å
239	W	98.5	Very high	97.9	Very high	103 Å²	103	35.2 Å²	35.2	39%	0.39	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	129.2	177.5	178.2	-105.4	0	0	0	110.2	P241 M244 Q245 R246	W239-P241 WeakPolarHBondContact O-CD 3.4Å; W239-M244 HydrophobicContact CH2-CB 4.17Å; W239-M244 VanDerWaalsContact CH2-O 3.23Å; W239-M244 WeakPolarHBondContact CH2-O 3.44Å; W239-M244 HydrophobicContact CZ2-CB 4.18Å; W239-Q245 VanDerWaalsContact CE3-C 3.42Å; W239-R246 HydrophobicContact CE3-CG 4.07Å; W239-R246 HydrophobicContact CZ3-CG 4.44Å
240	V	97.8	Very high	97.9	Very high	14 Å²	14	35.2 Å²	35.2	9%	0.085	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	100.4	175.8	-178.9	0	0	0	0	108.7	K242 K243 M244 Q245 V247 I270	V240-K242 VanDerWaalsContact C-N 3.33Å; V240-K242 PolarHBondContact O-N 3.12Å; V240-K243 HydrophobicContact CB-CB 4.36Å; V240-K243 HydrophobicContact CG1-CB 4.05Å; V240-K243 HydrophobicContact CG1-CD 4.22Å; V240-K243 HydrophobicContact CG1-CG 3.98Å; V240-K243 PolarHBondContact O-N 2.73Å; V240-K243 VanDerWaalsContact O-N 3.09Å; V240-M244 PolarHBondContact O-N 2.9Å; V240-Q245 PolarHBondContact N-O 2.89Å; V240-V247 HydrophobicContact CG2-CB 4.47Å; V240-V247 HydrophobicContact CG2-CG1 3.84Å; V240-V247 HydrophobicContact CG2-CG2 3.73Å; V240-I270 HydrophobicContact CG2-CD1 4.37Å; V240-I270 HydrophobicContact CG2-CG2 3.95Å
241	P	96.4	Very high	97.9	Very high	67 Å²	67	35.2 Å²	35.2	44%	0.435	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-55.8	-42.7	-174.9	-26.1	33.9	0	0	0	113.7	W239 K243 M244 E272	W239-P241 WeakPolarHBondContact O-CD 3.4Å; P241-K243 PolarHBondContact O-N 3.48Å; P241-M244 PolarHBondContact O-N 3.1Å; P241-M244 VanDerWaalsContact O-N 3.13Å; P241-E272 HydrophobicContact CG-CB 4.32Å; P241-E272 HydrophobicContact CG-CG 4.26Å
242	K	94.3	Very high	98	Very high	166 Å²	166	35.1 Å²	35.1	72%	0.722	17%	0.166	S	C	*	.	G	3₁₀ helix	trans	-61.8	-27.4	-179	-70.1	-178.3	179.8	172.1	0	113.3	V240	V240-K242 VanDerWaalsContact C-N 3.33Å; V240-K242 PolarHBondContact O-N 3.12Å
243	K	93.6	Very high	98	Very high	83 Å²	83	35 Å²	35	36%	0.361	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-102.4	-7.4	179.9	-64.2	-173.8	-178	-178.9	0	112.7	Y201 V240 P241 Q245	Y201-K243 PolarHBondContact OH-NZ 3.41Å; V240-K243 HydrophobicContact CB-CB 4.36Å; V240-K243 HydrophobicContact CG1-CB 4.05Å; V240-K243 HydrophobicContact CG1-CD 4.22Å; V240-K243 HydrophobicContact CG1-CG 3.98Å; V240-K243 PolarHBondContact O-N 2.73Å; V240-K243 VanDerWaalsContact O-N 3.09Å; P241-K243 PolarHBondContact O-N 3.48Å; K243-Q245 HydrophobicContact CB-CB 4.49Å; K243-Q245 HydrophobicContact CB-CG 3.62Å; K243-Q245 VanDerWaalsContact CD-NE2 3.25Å; K243-Q245 PolarHBondContact O-N 3.19Å
244	M	97	Very high	97.9	Very high	146 Å²	146	35.1 Å²	35.1	72%	0.719	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	43.7	-173.2	-61	-176.6	-71.6	0	0	112.7	W239 V240 P241	W239-M244 HydrophobicContact CH2-CB 4.17Å; W239-M244 VanDerWaalsContact CH2-O 3.23Å; W239-M244 WeakPolarHBondContact CH2-O 3.44Å; W239-M244 HydrophobicContact CZ2-CB 4.18Å; V240-M244 PolarHBondContact O-N 2.9Å; P241-M244 PolarHBondContact O-N 3.1Å; P241-M244 VanDerWaalsContact O-N 3.13Å
245	Q	97.6	Very high	97.9	Very high	71 Å²	71	35.1 Å²	35.1	33%	0.332	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	155.9	-174.9	75.9	-174.4	11	0	0	112.5	T40 W239 V240 K243 V247	T40-Q245 WeakPolarHBondContact OG1-CA 3.34Å; T40-Q245 WeakPolarHBondContact OG1-CB 3.48Å; W239-Q245 VanDerWaalsContact CE3-C 3.42Å; V240-Q245 PolarHBondContact N-O 2.89Å; K243-Q245 HydrophobicContact CB-CB 4.49Å; K243-Q245 HydrophobicContact CB-CG 3.62Å; K243-Q245 VanDerWaalsContact CD-NE2 3.25Å; K243-Q245 PolarHBondContact O-N 3.19Å; Q245-V247 HydrophobicContact CG-CG1 3.83Å
246	R	98.4	Very high	97.9	Very high	43 Å²	43	35 Å²	35	16%	0.162	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	144	164.5	-65.2	-73	177.9	175.7	1.6	109.2	P39 T40 F43 L234 G235 D238 W239	P39-R246 HydrophobicContact CB-CB 4.22Å; P39-R246 WeakPolarHBondContact CG-O 3.47Å; T40-R246 PolarHBondContact OG1-N 3.21Å; F43-R246 HydrophobicContact CB-CG 4Å; F43-R246 HydrophobicContact CD2-CG 4.4Å; F43-R246 HydrophobicContact CG-CG 4.1Å; L234-R246 HydrophobicContact CD1-CB 3.83Å; L234-R246 HydrophobicContact CD1-CG 4.42Å; G235-R246 PolarHBondContact O-NH1 3.36Å; D238-R246 WeakPolarHBondContact OD1-CD 3.45Å; D238-R246 IonicContact OD1-CZ 3.37Å; D238-R246 IonicContact OD1-NE 3.9Å; D238-R246 IonicContact OD1-NH1 3.37Å; D238-R246 PolarHBondContact OD1-NH1 3.12Å; W239-R246 HydrophobicContact CE3-CG 4.07Å; W239-R246 HydrophobicContact CZ3-CG 4.44Å
247	V	98.3	Very high	97.9	Very high	26 Å²	26	36.6 Å²	36.6	16%	0.158	17%	0.172	C	C	.	.			trans	-129.1	-3	179.7	-58.5	0	0	0	0	113.8	R209 D238 V240 Q245 I270	R209-V247 PolarHBondContact NH2-O 3.32Å; D238-V247 WeakPolarHBondContact O-CG2 3.4Å; D238-V247 PolarHBondContact O-N 3.25Å; D238-V247 PolarHBondContact OD2-N 3.17Å; V240-V247 HydrophobicContact CG2-CB 4.47Å; V240-V247 HydrophobicContact CG2-CG1 3.84Å; V240-V247 HydrophobicContact CG2-CG2 3.73Å; Q245-V247 HydrophobicContact CG-CG1 3.83Å; V247-I270 HydrophobicContact CG2-CD1 3.4Å; V247-I270 VanDerWaalsContact CG2-CD1 3.4Å; V247-I270 HydrophobicContact CG2-CG1 3.72Å
248	G	98.6	Very high	97.9	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-63.6	161.9	179.1	0	0	0	0	0	113	R209 P232 D238	R209-G248 PolarHBondContact NH1-O 2.88Å; P232-G248 CarbonylContact O-C 3.59Å; P232-G248 WeakPolarHBondContact O-CA 3.46Å; D238-G248 WeakPolarHBondContact OD2-CA 3.36Å; D238-G248 PolarHBondContact OD2-N 3.07Å
249	C	98.8	Very high	97.8	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-83.7	126.4	-179.7	179.8	0	0	0	0	111.1	P198 W217 P232 L234 L252 L253	P198-C249 HydrophobicContact CG-CB 3.86Å; W217-C249 PolarHBondContact NE1-SG 2.96Å; P232-C249 PolarHBondContact O-N 3.28Å; L234-C249 PolarHBondContact N-O 3.04Å; C249-L252 HydrophobicContact CB-CB 3.65Å; C249-L252 HydrophobicContact CB-CD2 4.43Å; C249-L252 PolarHBondContact SG-N 3.43Å; C249-L252 VanDerWaalsContact SG-N 3.42Å; C249-L253 PolarHBondContact O-N 2.84Å; C249-L253 VanDerWaalsContact O-N 3.14Å
250	M	98.7	Very high	97.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-72.2	-42.9	-179.7	-176.8	52.1	-178.6	0	0	112.1	D33 A42 Y46 L234 L252 L253 N254	D33-M250 HydrophobicContact CB-CB 4.49Å; D33-M250 HydrophobicContact CB-CE 4.21Å; D33-M250 HydrophobicContact CB-CG 3.49Å; D33-M250 VanDerWaalsContact CB-CG 3.49Å; D33-M250 VanDerWaalsContact CG-CE 3.48Å; D33-M250 WeakPolarHBondContact OD2-CE 3.45Å; A42-M250 HydrophobicContact CB-SD 4.37Å; Y46-M250 HydrophobicContact CD2-CE 3.52Å; Y46-M250 HydrophobicContact CE1-CE 4.47Å; Y46-M250 HydrophobicContact CE2-CE 3.1Å; Y46-M250 HydrophobicContact CG-CE 4.38Å; L234-M250 HydrophobicContact CB-SD 4.28Å; L234-M250 HydrophobicContact CD2-CB 4.41Å; L234-M250 HydrophobicContact CD2-CG 4.39Å; L234-M250 HydrophobicContact CD2-SD 3.33Å; L234-M250 WeakPolarHBondContact CD2-SD 3.47Å; L234-M250 HydrophobicContact CG-SD 4.41Å; M250-L252 VanDerWaalsContact C-N 3.27Å; M250-L252 PolarHBondContact O-N 3.11Å; M250-L253 WeakPolarHBondContact O-CB 3.44Å; M250-L253 PolarHBondContact O-N 3.23Å; M250-L253 HydrophobicContact SD-CD2 4.09Å; M250-N254 WeakPolarHBondContact CE-OD1 3.44Å; M250-N254 PolarHBondContact O-N 2.92Å
251	E	98.8	Very high	97.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-35.6	177.6	-72.8	57.7	-125	0	0	111.2	D33 S36 L214 N254 T255	D33-E251 WeakPolarHBondContact CB-OE1 3.47Å; D33-E251 PolarHBondContact N-OE1 2.71Å; S36-E251 WeakPolarHBondContact CB-OE1 3.45Å; S36-E251 PolarHBondContact OG-OE1 3.28Å; S36-E251 VanDerWaalsContact OG-OE1 3.11Å; S36-E251 PolarHBondContact OG-OE2 3.04Å; L214-E251 HydrophobicContact CB-CB 4.18Å; L214-E251 HydrophobicContact CB-CG 3.89Å; L214-E251 HydrophobicContact CD1-CB 4.19Å; L214-E251 HydrophobicContact CD1-CG 4.33Å; L214-E251 HydrophobicContact CG-CG 4.49Å; E251-N254 PolarHBondContact O-N 3.34Å; E251-T255 VanDerWaalsContact O-CB 3.3Å; E251-T255 WeakPolarHBondContact O-CB 3.4Å; E251-T255 PolarHBondContact O-N 3.03Å; E251-T255 PolarHBondContact O-OG1 3.44Å
252	L	98.9	Very high	98	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-64.5	-46.7	173.5	-175	57.4	0	0	0	110.9	W217 I220 L227 T229 P233 C249 M250 N254 T255 V256	W217-L252 HydrophobicContact CD2-CB 4.47Å; W217-L252 HydrophobicContact CD2-CD1 3.89Å; W217-L252 HydrophobicContact CE3-CD1 4.1Å; W217-L252 HydrophobicContact CG-CD1 4.25Å; W217-L252 HydrophobicContact CZ2-CB 4.42Å; W217-L252 HydrophobicContact CZ2-CD1 4.44Å; W217-L252 HydrophobicContact CZ2-CD2 4.3Å; W217-L252 HydrophobicContact CZ3-CD1 4.46Å; I220-L252 HydrophobicContact CD1-CD1 4.38Å; L227-L252 HydrophobicContact CD2-CD1 4.15Å; T229-L252 HydrophobicContact CG2-CD1 4.2Å; T229-L252 HydrophobicContact CG2-CD2 4.23Å; P233-L252 HydrophobicContact CB-CB 4.45Å; P233-L252 HydrophobicContact CB-CD2 4.3Å; P233-L252 HydrophobicContact CB-CG 4.1Å; C249-L252 HydrophobicContact CB-CB 3.65Å; C249-L252 HydrophobicContact CB-CD2 4.43Å; C249-L252 PolarHBondContact SG-N 3.43Å; C249-L252 VanDerWaalsContact SG-N 3.42Å; M250-L252 VanDerWaalsContact C-N 3.27Å; M250-L252 PolarHBondContact O-N 3.11Å; L252-N254 PolarHBondContact O-N 3.41Å; L252-T255 WeakPolarHBondContact O-CB 3.21Å; L252-T255 PolarHBondContact O-N 3.41Å; L252-V256 HydrophobicContact CD1-CG2 4.23Å; L252-V256 HydrophobicContact CG-CG2 4.48Å; L252-V256 WeakPolarHBondContact O-CB 3.46Å; L252-V256 VanDerWaalsContact O-CG2 3.3Å; L252-V256 WeakPolarHBondContact O-CG2 3.48Å; L252-V256 PolarHBondContact O-N 3.45Å
253	L	98.8	Very high	98.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-58.1	-48	175.8	176.4	67.6	0	0	0	111.8	F53 P233 L234 F236 C249 M250 T255 V256 Q257	F53-L253 HydrophobicContact CE1-CD2 3.77Å; F53-L253 HydrophobicContact CZ-CD2 3.73Å; P233-L253 HydrophobicContact CB-CB 4Å; P233-L253 HydrophobicContact CB-CD1 4.33Å; L234-L253 HydrophobicContact CB-CB 4.14Å; L234-L253 HydrophobicContact CB-CD2 4.01Å; L234-L253 HydrophobicContact CD2-CD2 4.4Å; L234-L253 HydrophobicContact CG-CD2 4.43Å; L234-L253 WeakPolarHBondContact O-CD2 3.47Å; F236-L253 HydrophobicContact CD2-CD1 3.77Å; F236-L253 HydrophobicContact CE2-CD1 3.51Å; C249-L253 PolarHBondContact O-N 2.84Å; C249-L253 VanDerWaalsContact O-N 3.14Å; M250-L253 WeakPolarHBondContact O-CB 3.44Å; M250-L253 PolarHBondContact O-N 3.23Å; M250-L253 HydrophobicContact SD-CD2 4.09Å; L253-T255 VanDerWaalsContact C-N 3.29Å; L253-T255 PolarHBondContact O-N 3.1Å; L253-V256 PolarHBondContact O-N 2.81Å; L253-Q257 HydrophobicContact CD1-CG 3.93Å; L253-Q257 PolarHBondContact O-N 3.03Å
254	N	98.6	Very high	98.4	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	13%	0.134	C	C	.	.	H	α-helix	trans	-61.7	-40.1	178.2	-76.6	-17.2	0	0	0	111.3	V30 D33 R52 M250 E251 L252 R258	V30-N254 HydrophobicContact CG1-CB 3.72Å; D33-N254 PolarHBondContact OD2-ND2 3.38Å; R52-N254 PolarHBondContact NH1-OD1 3.34Å; R52-N254 PolarHBondContact NH2-OD1 2.85Å; M250-N254 WeakPolarHBondContact CE-OD1 3.44Å; M250-N254 PolarHBondContact O-N 2.92Å; E251-N254 PolarHBondContact O-N 3.34Å; L252-N254 PolarHBondContact O-N 3.41Å; N254-R258 WeakPolarHBondContact O-CA 3.28Å; N254-R258 WeakPolarHBondContact O-CB 3.38Å; N254-R258 WeakPolarHBondContact O-CG 3.47Å; N254-R258 PolarHBondContact O-N 2.9Å; N254-R258 VanDerWaalsContact OD1-CZ 3.28Å; N254-R258 PolarHBondContact OD1-NH2 2.74Å
255	T	98.8	Very high	98.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.1	-49.4	175.4	-61.7	0	0	0	0	112.3	W217 I220 E251 L252 L253 R259 V260	W217-T255 HydrophobicContact CB-CG2 4.2Å; I220-T255 HydrophobicContact CD1-CG2 4.17Å; E251-T255 VanDerWaalsContact O-CB 3.3Å; E251-T255 WeakPolarHBondContact O-CB 3.4Å; E251-T255 PolarHBondContact O-N 3.03Å; E251-T255 PolarHBondContact O-OG1 3.44Å; L252-T255 WeakPolarHBondContact O-CB 3.21Å; L252-T255 PolarHBondContact O-N 3.41Å; L253-T255 VanDerWaalsContact C-N 3.29Å; L253-T255 PolarHBondContact O-N 3.1Å; T255-R259 VanDerWaalsContact CG2-NH2 3.29Å; T255-R259 PolarHBondContact O-N 3.05Å; T255-R259 VanDerWaalsContact O-N 3.13Å; T255-V260 HydrophobicContact CG2-CG2 3.67Å; T255-V260 PolarHBondContact O-N 2.95Å
256	V	98.7	Very high	98.6	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	8%	0.084	C	C	.	.	I	π-helix	trans	-62	-50	-179.9	170.6	0	0	0	0	110.8	L227 L252 L253 Q261 P262 T282 F284	L227-V256 HydrophobicContact CD2-CG2 3.66Å; L252-V256 HydrophobicContact CD1-CG2 4.23Å; L252-V256 HydrophobicContact CG-CG2 4.48Å; L252-V256 WeakPolarHBondContact O-CB 3.46Å; L252-V256 VanDerWaalsContact O-CG2 3.3Å; L252-V256 WeakPolarHBondContact O-CG2 3.48Å; L252-V256 PolarHBondContact O-N 3.45Å; L253-V256 PolarHBondContact O-N 2.81Å; V256-Q261 WeakPolarHBondContact O-CA 3.29Å; V256-Q261 PolarHBondContact O-N 3.05Å; V256-P262 HydrophobicContact CG1-CG 4.19Å; V256-T282 HydrophobicContact CG1-CG2 4.09Å; V256-F284 HydrophobicContact CG1-CE1 3.79Å; V256-F284 HydrophobicContact CG1-CZ 3.93Å
257	Q	98.1	Very high	98.6	Very high	34 Å²	34	17.4 Å²	17.4	16%	0.159	8%	0.076	C	C	.	.	I	π-helix	trans	-82.1	-32.7	-172.6	-67.5	-169.2	-43.6	0	0	114.4	R52 L253 Q261 D279	R52-Q257 VanDerWaalsContact CZ-OE1 3.26Å; L253-Q257 HydrophobicContact CD1-CG 3.93Å; L253-Q257 PolarHBondContact O-N 3.03Å; Q257-Q261 WeakPolarHBondContact O-CG 3.37Å; Q257-Q261 PolarHBondContact O-NE2 3.46Å; Q257-D279 WeakPolarHBondContact CG-OD2 3.35Å; Q257-D279 PolarHBondContact NE2-OD2 3.13Å
258	R	97.6	Very high	98.6	Very high	106 Å²	106	16.1 Å²	16.1	40%	0.4	7%	0.069	S	C	.	.	I	π-helix	trans	-100.3	-24.2	-171.6	-54.8	179.6	179.6	167.6	2.1	113.7	N254	N254-R258 WeakPolarHBondContact O-CA 3.28Å; N254-R258 WeakPolarHBondContact O-CB 3.38Å; N254-R258 WeakPolarHBondContact O-CG 3.47Å; N254-R258 PolarHBondContact O-N 2.9Å; N254-R258 VanDerWaalsContact OD1-CZ 3.28Å; N254-R258 PolarHBondContact OD1-NH2 2.74Å
259	R	98.1	Very high	98.6	Very high	21 Å²	21	17.4 Å²	17.4	8%	0.079	8%	0.075	C	C	.	.	I	π-helix	trans	-121.8	-60.6	-172.4	-171.3	177.1	65	75.5	-5.5	113.4	R27 V30 W217 I220 D222 T255	R27-R259 HydrophobicContact CB-CG 4.24Å; R27-R259 VanDerWaalsContact CD-O 3.22Å; R27-R259 WeakPolarHBondContact CD-O 3.33Å; R27-R259 VanDerWaalsContact CZ-O 3.29Å; R27-R259 PolarHBondContact NE-O 3.08Å; R27-R259 PolarHBondContact NH1-O 2.61Å; V30-R259 HydrophobicContact CG2-CB 4.05Å; W217-R259 PolarHBondContact O-NH2 3.42Å; I220-R259 PolarHBondContact O-NH1 3.32Å; I220-R259 PolarHBondContact O-NH2 2.97Å; D222-R259 WeakPolarHBondContact OD1-CG 3.45Å; D222-R259 IonicContact OD1-CZ 2.84Å; D222-R259 IonicContact OD1-NH1 2.91Å; D222-R259 PolarHBondContact OD1-NH1 3Å; T255-R259 VanDerWaalsContact CG2-NH2 3.29Å; T255-R259 PolarHBondContact O-N 3.05Å; T255-R259 VanDerWaalsContact O-N 3.13Å
260	V	98.5	Very high	98.6	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	8%	0.077	C	C	.	.	I	π-helix	trans	-81	-50.1	-169.8	-178.5	0	0	0	0	111.2	R27 I220 T255 P262	R27-V260 PolarHBondContact NH1-O 3.15Å; I220-V260 HydrophobicContact CB-CG2 4.17Å; I220-V260 HydrophobicContact CG2-CB 4.49Å; I220-V260 HydrophobicContact CG2-CG1 3.95Å; I220-V260 HydrophobicContact CG2-CG2 3.75Å; T255-V260 HydrophobicContact CG2-CG2 3.67Å; T255-V260 PolarHBondContact O-N 2.95Å; V260-P262 HydrophobicContact CG1-CB 4.47Å; V260-P262 HydrophobicContact CG1-CG 4.46Å
261	Q	98.3	Very high	98.6	Very high	92 Å²	92	19 Å²	19	43%	0.43	8%	0.082	S	C	.	.			trans	50.8	55.8	-177.2	-60.9	177.3	-16.9	0	0	112.7	V256 Q257 T281	V256-Q261 WeakPolarHBondContact O-CA 3.29Å; V256-Q261 PolarHBondContact O-N 3.05Å; Q257-Q261 WeakPolarHBondContact O-CG 3.37Å; Q257-Q261 PolarHBondContact O-NE2 3.46Å; Q261-T281 HydrophobicContact CB-CG2 4.25Å
262	P	98.7	Very high	98.5	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.006	10%	0.099	C	C	.	.			trans	-63.6	155	175.6	32.6	-34.8	0	0	0	110.1	T224 D225 L227 V256 V260 L264 T282	T224-P262 WeakPolarHBondContact O-CA 3.22Å; D225-P262 WeakPolarHBondContact O-CB 3.3Å; L227-P262 HydrophobicContact CB-CB 4.3Å; L227-P262 HydrophobicContact CB-CG 4.08Å; V256-P262 HydrophobicContact CG1-CG 4.19Å; V260-P262 HydrophobicContact CG1-CB 4.47Å; V260-P262 HydrophobicContact CG1-CG 4.46Å; P262-L264 VanDerWaalsContact C-N 3.28Å; P262-T282 HydrophobicContact CG-CG2 4.13Å; P262-T282 WeakPolarHBondContact O-CB 3.21Å; P262-T282 WeakPolarHBondContact O-CG2 3.49Å; P262-T282 PolarHBondContact O-OG1 3.26Å
263	K	98.7	Very high	98.5	Very high	83 Å²	83	22.9 Å²	22.9	36%	0.361	10%	0.103	S	C	.	.	S	Bend	trans	-70.7	-33	174.9	-60.3	173.7	-172.8	144.7	0	110.9	D225 T283 L305	D225-K263 PolarHBondContact O-N 2.87Å; D225-K263 IonicContact OD1-NZ 2.78Å; D225-K263 PolarHBondContact OD1-NZ 3.33Å; K263-T283 PolarHBondContact O-N 3.36Å; K263-L305 HydrophobicContact CB-CD2 4.01Å; K263-L305 HydrophobicContact CD-CD2 4.3Å
264	L	98.9	Very high	98.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.4	-177.1	178.7	65.2	0	0	0	110.3	D225 I226 L227 P262 V266 T283 I285 F303 L305	D225-L264 PolarHBondContact O-N 2.92Å; I226-L264 CarbonylContact C-O 3.58Å; I226-L264 WeakPolarHBondContact CA-O 3.31Å; I226-L264 HydrophobicContact CD1-CD2 4.49Å; I226-L264 HydrophobicContact CG1-CB 4.27Å; I226-L264 HydrophobicContact CG2-CB 4.26Å; I226-L264 HydrophobicContact CG2-CD2 4.03Å; I226-L264 HydrophobicContact CG2-CG 4.22Å; L227-L264 PolarHBondContact N-O 3.18Å; P262-L264 VanDerWaalsContact C-N 3.28Å; L264-V266 HydrophobicContact CD1-CG2 4.12Å; L264-V266 HydrophobicContact CD2-CG2 3.72Å; L264-V266 HydrophobicContact CG-CG2 3.71Å; L264-T283 CarbonylContact C-O 3.51Å; L264-T283 WeakPolarHBondContact CA-O 3.45Å; L264-T283 HydrophobicContact CD1-CG2 4.31Å; L264-I285 HydrophobicContact CD1-CD1 3.51Å; L264-I285 HydrophobicContact CD1-CG1 3.69Å; L264-F303 HydrophobicContact CD1-CD1 4.03Å; L264-F303 HydrophobicContact CD1-CE1 4.23Å; L264-F303 HydrophobicContact CD1-CG 4.5Å; L264-F303 HydrophobicContact CD2-CD1 4.1Å; L264-L305 HydrophobicContact CB-CD1 4.27Å
265	H	98.9	Very high	98.5	Very high	0 Å²	0	26 Å²	26	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	109.7	170.3	-174.1	-176.1	0	0	0	109	L227 T229 F267 T282 T283 F284 I285	L227-H265 HydrophobicContact CB-CB 4.5Å; L227-H265 CarbonylContact O-C 3.51Å; L227-H265 VanDerWaalsContact O-CA 3.31Å; L227-H265 WeakPolarHBondContact O-CA 3.21Å; L227-H265 PolarHBondContact O-CD2 2.81Å; T229-H265 PolarHBondContact OG1-NE2 2.91Å; H265-F267 AromaticContact CD2-CD1 3.8Å; H265-F267 AromaticContact NE2-CD1 3.84Å; H265-T282 HydrophobicContact CB-CG2 3.95Å; H265-T283 PolarHBondContact N-O 3.1Å; H265-F284 HydrophobicContact CB-CD1 3.98Å; H265-F284 HydrophobicContact CB-CE1 4.34Å; H265-F284 AromaticContact ND1-CD1 3.9Å; H265-F284 AromaticContact ND1-CE1 3.92Å; H265-F284 CarbonylContact O-C 3.57Å; H265-F284 WeakPolarHBondContact O-CA 3.05Å; H265-I285 PolarHBondContact O-N 3Å
266	V	99	Very high	98.5	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	133.8	179.3	-169.7	0	0	0	0	109.5	C79 I99 A101 L227 V228 T229 L264 I285 A287	C79-V266 HydrophobicContact CB-CG1 3.85Å; I99-V266 HydrophobicContact CD1-CG2 4.46Å; I99-V266 HydrophobicContact CG2-CB 4.41Å; I99-V266 HydrophobicContact CG2-CG1 4.25Å; A101-V266 HydrophobicContact CB-CG1 4.24Å; L227-V266 PolarHBondContact O-N 3.44Å; V228-V266 WeakPolarHBondContact CA-O 3.34Å; T229-V266 PolarHBondContact N-O 3.31Å; L264-V266 HydrophobicContact CD1-CG2 4.12Å; L264-V266 HydrophobicContact CD2-CG2 3.72Å; L264-V266 HydrophobicContact CG-CG2 3.71Å; V266-I285 WeakPolarHBondContact CA-O 3.4Å; V266-A287 HydrophobicContact CG1-CB 4.11Å
267	F	98.9	Very high	98.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	-178.1	177	52	-94.9	0	0	0	111.6	T229 P232 P233 L237 H265 F284 I285 N286 A287	T229-F267 WeakPolarHBondContact O-CA 3.46Å; T229-F267 WeakPolarHBondContact O-CB 3.22Å; P232-F267 HydrophobicContact CB-CD2 3.58Å; P232-F267 HydrophobicContact CB-CE2 3.44Å; P232-F267 VanDerWaalsContact CB-CE2 3.44Å; P232-F267 HydrophobicContact CB-CG 4.29Å; P232-F267 HydrophobicContact CB-CZ 4.07Å; P233-F267 HydrophobicContact CG-CE1 4.27Å; L237-F267 HydrophobicContact CB-CE2 4.02Å; L237-F267 HydrophobicContact CB-CZ 4.22Å; L237-F267 HydrophobicContact CD1-CZ 4.34Å; H265-F267 AromaticContact CD2-CD1 3.8Å; H265-F267 AromaticContact NE2-CD1 3.84Å; F267-F284 HydrophobicContact CE1-CB 3.9Å; F267-F284 HydrophobicContact CE1-CD1 4.07Å; F267-F284 HydrophobicContact CZ-CB 4.1Å; F267-I285 PolarHBondContact N-O 3.47Å; F267-N286 HydrophobicContact CD2-CB 4.03Å; F267-N286 HydrophobicContact CE2-CB 3.61Å; F267-N286 HydrophobicContact CZ-CB 4.43Å; F267-N286 CarbonylContact O-C 3.56Å; F267-N286 WeakPolarHBondContact O-CA 3.13Å; F267-A287 PolarHBondContact O-N 3.43Å
268	G	98.6	Very high	98.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	12%	0.12	C	C	.	.			trans	-146.1	-126.3	179.9	0	0	0	0	0	111.3	S81 D82 H230 I270	S81-G268 WeakPolarHBondContact OG-CA 3.3Å; D82-G268 WeakPolarHBondContact OD2-CA 3.46Å; H230-G268 CarbonylContact O-C 3.56Å; H230-G268 PolarHBondContact O-N 3.48Å; G268-I270 PolarHBondContact O-N 2.89Å
269	H	98.3	Very high	98.5	Very high	26 Å²	26	22.4 Å²	22.4	12%	0.12	11%	0.107	C	C	.	.	S	Bend	trans	68.8	-46.7	172.6	-173.3	60.4	0	0	0	115.1	D82 N134 Q197 Y200 H230 H271	D82-H269 VanDerWaalsContact CG-N 3.33Å; D82-H269 VanDerWaalsContact OD1-CA 3.25Å; D82-H269 WeakPolarHBondContact OD1-CA 3.36Å; D82-H269 PolarHBondContact OD1-N 3.03Å; D82-H269 PolarHBondContact OD2-N 2.88Å; N134-H269 PolarHBondContact OD1-CE1 2.9Å; N134-H269 PolarHBondContact OD1-ND1 3.19Å; Q197-H269 PolarHBondContact OE1-CE1 3.35Å; Q197-H269 PolarHBondContact OE1-ND1 3.33Å; Q197-H269 PolarHBondContact OE1-NE2 2.8Å; Y200-H269 AromaticContact CD1-CE1 3.79Å; H230-H269 AromaticContact CD2-ND1 3.86Å; H230-H269 AromaticContact NE2-CG 3.65Å; H230-H269 AromaticContact NE2-ND1 3.22Å; H230-H269 PolarHBondContact NE2-ND1 2.77Å; H230-H269 WeakPolarHBondContact O-CB 3.4Å; H269-H271 PolarHBondContact O-CD2 2.66Å; H269-H271 PolarHBondContact O-N 3.33Å
270	I	98.3	Very high	98.5	Very high	11 Å²	11	24.2 Å²	24.2	6%	0.056	13%	0.132	C	C	.	.			trans	-97.1	88.7	-179	-52.5	-52.3	0	0	0	109	P232 V240 V247 G268 E272 G273 N286	P232-I270 HydrophobicContact CG-CG1 3.7Å; V240-I270 HydrophobicContact CG2-CD1 4.37Å; V240-I270 HydrophobicContact CG2-CG2 3.95Å; V247-I270 HydrophobicContact CG2-CD1 3.4Å; V247-I270 VanDerWaalsContact CG2-CD1 3.4Å; V247-I270 HydrophobicContact CG2-CG1 3.72Å; G268-I270 PolarHBondContact O-N 2.89Å; I270-E272 PolarHBondContact O-N 2.96Å; I270-G273 WeakPolarHBondContact O-CA 3.39Å; I270-G273 PolarHBondContact O-N 3.25Å; I270-N286 PolarHBondContact O-ND2 2.89Å
271	H	98.2	Very high	98.5	Very high	22 Å²	22	28.3 Å²	28.3	10%	0.102	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-59.5	-31.7	-173.1	-63.5	-172.2	0	0	0	113.2	D82 H84 H269 G273 Y274 C290 T291 V292	D82-H271 WeakPolarHBondContact CB-NE2 3.3Å; D82-H271 IonicContact OD1-NE2 2.71Å; H84-H271 AromaticContact CD2-CE1 3.96Å; H84-H271 AromaticContact NE2-CE1 3.42Å; H84-H271 PolarHBondContact NE2-CE1 3.11Å; H84-H271 AromaticContact NE2-NE2 3.44Å; H84-H271 PolarHBondContact NE2-NE2 2.81Å; H269-H271 PolarHBondContact O-CD2 2.66Å; H269-H271 PolarHBondContact O-N 3.33Å; H271-G273 PolarHBondContact O-N 3.27Å; H271-Y274 PolarHBondContact O-N 2.93Å; H271-C290 WeakPolarHBondContact CB-O 3.45Å; H271-C290 VanDerWaalsContact CG-O 3.28Å; H271-C290 PolarHBondContact ND1-O 3.33Å; H271-T291 PolarHBondContact ND1-O 3.07Å; H271-V292 HydrophobicContact CB-CG1 4.42Å
272	E	98.2	Very high	98.5	Very high	75 Å²	75	24 Å²	24	35%	0.35	14%	0.137	S	C	.	.	G	3₁₀ helix	trans	-63.5	-21.7	174.9	-64.2	99	144.6	0	0	113.6	P241 I270 V292	P241-E272 HydrophobicContact CG-CB 4.32Å; P241-E272 HydrophobicContact CG-CG 4.26Å; I270-E272 PolarHBondContact O-N 2.96Å; E272-V292 VanDerWaalsContact CD-CG1 3.48Å; E272-V292 HydrophobicContact CG-CG1 3.4Å
273	G	98.2	Very high	98.5	Very high	8 Å²	8	24.8 Å²	24.8	8%	0.082	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-91.9	3.8	-176.2	0	0	0	0	0	114.6	L237 I270 H271 G275 N286	L237-G273 WeakPolarHBondContact CB-O 3.24Å; L237-G273 WeakPolarHBondContact CD2-O 3.33Å; I270-G273 WeakPolarHBondContact O-CA 3.39Å; I270-G273 PolarHBondContact O-N 3.25Å; H271-G273 PolarHBondContact O-N 3.27Å; G273-G275 PolarHBondContact O-N 2.55Å; G273-N286 VanDerWaalsContact C-ND2 3.32Å; G273-N286 WeakPolarHBondContact O-CB 3.41Å; G273-N286 PolarHBondContact O-ND2 3.21Å
274	Y	98.7	Very high	98.5	Very high	58 Å²	58	20.9 Å²	20.9	23%	0.227	13%	0.125	C	C	.	.			trans	-46.1	127.2	179.6	166.6	-94.8	0	0	0	111.9	H271 S288 N298 P299 I301	H271-Y274 PolarHBondContact O-N 2.93Å; Y274-S288 WeakPolarHBondContact CD2-O 3.34Å; Y274-N298 WeakPolarHBondContact CB-ND2 3.33Å; Y274-N298 HydrophobicContact CD1-CB 4.1Å; Y274-N298 HydrophobicContact CD2-CB 3.59Å; Y274-N298 HydrophobicContact CE1-CB 4.17Å; Y274-N298 HydrophobicContact CE2-CB 3.66Å; Y274-N298 HydrophobicContact CG-CB 3.83Å; Y274-P299 WeakPolarHBondContact CE2-O 3.33Å; Y274-P299 WeakPolarHBondContact OH-CD 3.14Å; Y274-P299 WeakPolarHBondContact OH-CG 3.47Å; Y274-P299 PolarHBondContact OH-O 3.01Å; Y274-I301 HydrophobicContact CD2-CD1 4.14Å; Y274-I301 HydrophobicContact CE2-CD1 3.51Å; Y274-I301 HydrophobicContact CE2-CG1 3.7Å; Y274-I301 WeakPolarHBondContact OH-CG1 3.35Å
275	G	98.6	Very high	98.5	Very high	7 Å²	7	20.9 Å²	20.9	7%	0.072	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	144.9	-161.2	-178.8	0	0	0	0	0	113.9	L237 G273 N286	L237-G275 WeakPolarHBondContact CD1-O 3.27Å; G273-G275 PolarHBondContact O-N 2.55Å; G275-N286 PolarHBondContact N-O 2.92Å; G275-N286 PolarHBondContact O-N 2.98Å
276	M	98.6	Very high	98.5	Very high	4 Å²	4	20.9 Å²	20.9	2%	0.02	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	143.4	-177.5	-52.5	176.1	62.7	0	0	112.5	M60 V61 P63 T283 F284 I285 I301 F303	M60-M276 WeakPolarHBondContact CE-O 3.18Å; V61-M276 HydrophobicContact CB-CB 4.04Å; V61-M276 HydrophobicContact CG1-CE 4.47Å; V61-M276 PolarHBondContact N-O 3.05Å; V61-M276 WeakPolarHBondContact O-CB 3.21Å; P63-M276 HydrophobicContact CB-SD 4.14Å; P63-M276 HydrophobicContact CG-CG 4.32Å; P63-M276 HydrophobicContact CG-SD 4.18Å; M276-T283 HydrophobicContact CE-CG2 3.72Å; M276-F284 CarbonylContact C-O 3.57Å; M276-F284 VanDerWaalsContact CA-O 3.28Å; M276-F284 WeakPolarHBondContact CA-O 3.46Å; M276-I285 HydrophobicContact CE-CD1 3.69Å; M276-I285 HydrophobicContact CE-CG1 3.87Å; M276-I285 HydrophobicContact CG-CD1 4.49Å; M276-I285 HydrophobicContact CG-CG1 4.03Å; M276-I285 HydrophobicContact CG-CG2 4.44Å; M276-I285 HydrophobicContact SD-CD1 4.38Å; M276-I301 HydrophobicContact CE-CG2 4.39Å; M276-I301 HydrophobicContact CG-CD1 4.09Å; M276-I301 HydrophobicContact CG-CG2 3.97Å; M276-I301 HydrophobicContact SD-CG2 3.45Å; M276-I301 WeakPolarHBondContact SD-CG2 3.37Å; M276-F303 HydrophobicContact CE-CD2 3.48Å; M276-F303 VanDerWaalsContact CE-CD2 3.48Å; M276-F303 HydrophobicContact CE-CE2 3.88Å; M276-F303 HydrophobicContact CE-CG 4.39Å
277	M	98.8	Very high	98.5	Very high	25 Å²	25	21 Å²	21	12%	0.123	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	161	171.3	-73.5	-178.8	76.8	0	0	110.1	V58 H59 M60 F236 L237 F284	V58-M277 HydrophobicContact CG1-CE 3.63Å; H59-M277 WeakPolarHBondContact O-CA 3.18Å; M60-M277 HydrophobicContact CE-CG 4.28Å; M60-M277 HydrophobicContact SD-CE 4.44Å; M60-M277 HydrophobicContact SD-CG 3.33Å; M60-M277 WeakPolarHBondContact SD-CG 3.32Å; M60-M277 HydrophobicContact SD-SD 3.84Å; F236-M277 HydrophobicContact CD1-CB 3.9Å; F236-M277 HydrophobicContact CD1-CE 4.33Å; F236-M277 HydrophobicContact CD1-SD 4.34Å; L237-M277 HydrophobicContact CD2-CG 3.73Å; L237-M277 HydrophobicContact CD2-SD 3.74Å; L237-M277 HydrophobicContact CG-CG 3.98Å; L237-M277 HydrophobicContact CG-SD 3.92Å; M277-F284 PolarHBondContact N-O 2.94Å; M277-F284 PolarHBondContact O-N 3.36Å
278	T	98.7	Very high	98.5	Very high	15 Å²	15	21 Å²	21	9%	0.092	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	154.7	167.9	-173.4	0	0	0	0	110.7	V58 H59 V61 G280 T282	V58-T278 VanDerWaalsContact CA-O 3.29Å; V58-T278 WeakPolarHBondContact CA-O 3.46Å; H59-T278 WeakPolarHBondContact CE1-CG2 3.04Å; H59-T278 PolarHBondContact N-O 3.41Å; H59-T278 PolarHBondContact O-N 3.2Å; V61-T278 HydrophobicContact CG2-CG2 3.72Å; T278-G280 PolarHBondContact OG1-N 3.44Å; T278-T282 WeakPolarHBondContact CA-O 3.47Å; T278-T282 PolarHBondContact OG1-O 2.99Å
279	D	98.3	Very high	98.5	Very high	22 Å²	22	21 Å²	21	12%	0.118	13%	0.126	C	C	.	.			trans	-105	11.6	164.8	69.3	6.8	0	0	0	113.1	H57 V58 F236 Q257 T281 T282 F284	H57-D279 CarbonylContact O-C 3.49Å; H57-D279 WeakPolarHBondContact O-CA 3.4Å; V58-D279 HydrophobicContact CG2-CB 4.07Å; F236-D279 HydrophobicContact CE1-CB 4.09Å; F236-D279 HydrophobicContact CZ-CB 3.86Å; Q257-D279 WeakPolarHBondContact CG-OD2 3.35Å; Q257-D279 PolarHBondContact NE2-OD2 3.13Å; D279-T281 VanDerWaalsContact C-N 3.28Å; D279-T281 PolarHBondContact O-N 2.92Å; D279-T281 WeakPolarHBondContact OD1-CA 3.48Å; D279-T281 WeakPolarHBondContact OD1-CB 3.37Å; D279-T281 PolarHBondContact OD1-N 2.85Å; D279-T282 PolarHBondContact N-O 3.44Å; D279-T282 PolarHBondContact OD1-N 2.95Å; D279-F284 HydrophobicContact CB-CE2 4.15Å
280	G	97.4	Very high	98.5	Very high	58 Å²	58	19.8 Å²	19.8	60%	0.598	12%	0.121	S	C	*	.	S	Bend	trans	86	-11.1	-174.9	0	0	0	0	0	114.5	H57 T278	H57-G280 PolarHBondContact O-N 3.16Å; T278-G280 PolarHBondContact OG1-N 3.44Å
281	T	97.8	Very high	98.4	Very high	88 Å²	88	20.8 Å²	20.8	54%	0.54	13%	0.127	S	C	.	.	S	Bend	trans	-116.8	-54	173.7	-57.8	0	0	0	0	111.1	Q261 D279	Q261-T281 HydrophobicContact CB-CG2 4.25Å; D279-T281 VanDerWaalsContact C-N 3.28Å; D279-T281 PolarHBondContact O-N 2.92Å; D279-T281 WeakPolarHBondContact OD1-CA 3.48Å; D279-T281 WeakPolarHBondContact OD1-CB 3.37Å; D279-T281 PolarHBondContact OD1-N 2.85Å
282	T	98.8	Very high	98.1	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.138	C	C	.	.			trans	-100.8	138.6	179.5	-50.8	0	0	0	0	109.1	V256 P262 H265 T278 D279 F284	V256-T282 HydrophobicContact CG1-CG2 4.09Å; P262-T282 HydrophobicContact CG-CG2 4.13Å; P262-T282 WeakPolarHBondContact O-CB 3.21Å; P262-T282 WeakPolarHBondContact O-CG2 3.49Å; P262-T282 PolarHBondContact O-OG1 3.26Å; H265-T282 HydrophobicContact CB-CG2 3.95Å; T278-T282 WeakPolarHBondContact CA-O 3.47Å; T278-T282 PolarHBondContact OG1-O 2.99Å; D279-T282 PolarHBondContact N-O 3.44Å; D279-T282 PolarHBondContact OD1-N 2.95Å; T282-F284 HydrophobicContact CG2-CD1 4.27Å; T282-F284 HydrophobicContact CG2-CD2 4.26Å; T282-F284 HydrophobicContact CG2-CE1 3.91Å; T282-F284 HydrophobicContact CG2-CE2 3.89Å; T282-F284 HydrophobicContact CG2-CG 4.45Å; T282-F284 HydrophobicContact CG2-CZ 3.71Å
283	T	98.9	Very high	97.8	Very high	19 Å²	19	24.2 Å²	24.2	12%	0.117	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	130.2	162.4	-58	0	0	0	0	108.9	K263 L264 H265 M276 I285 F303	K263-T283 PolarHBondContact O-N 3.36Å; L264-T283 CarbonylContact C-O 3.51Å; L264-T283 WeakPolarHBondContact CA-O 3.45Å; L264-T283 HydrophobicContact CD1-CG2 4.31Å; H265-T283 PolarHBondContact N-O 3.1Å; M276-T283 HydrophobicContact CE-CG2 3.72Å; T283-I285 HydrophobicContact CG2-CG1 4.26Å; T283-F303 HydrophobicContact CG2-CD2 4.44Å; T283-F303 HydrophobicContact CG2-CE2 3.82Å; T283-F303 HydrophobicContact CG2-CZ 3.94Å
284	F	98.9	Very high	97.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	125.6	180	-59.7	-92.4	0	0	0	108.6	P233 F236 V256 H265 F267 M276 M277 D279 T282	P233-F284 HydrophobicContact CG-CD1 3.74Å; P233-F284 HydrophobicContact CG-CE1 3.72Å; F236-F284 HydrophobicContact CB-CB 4.15Å; F236-F284 HydrophobicContact CB-CD1 4.05Å; F236-F284 HydrophobicContact CB-CD2 4.47Å; F236-F284 HydrophobicContact CB-CG 3.97Å; F236-F284 HydrophobicContact CD1-CB 4.16Å; F236-F284 HydrophobicContact CD1-CD1 4.23Å; F236-F284 AromaticContact CD1-CD2 3.24Å; F236-F284 HydrophobicContact CD1-CD2 3.24Å; F236-F284 HydrophobicContact CD1-CE1 4.47Å; F236-F284 AromaticContact CD1-CE2 3.56Å; F236-F284 HydrophobicContact CD1-CE2 3.56Å; F236-F284 AromaticContact CD1-CG 3.62Å; F236-F284 HydrophobicContact CD1-CG 3.62Å; F236-F284 HydrophobicContact CD1-CZ 4.17Å; F236-F284 HydrophobicContact CD2-CD1 4.48Å; F236-F284 HydrophobicContact CD2-CE1 4.22Å; F236-F284 HydrophobicContact CD2-CE2 4.32Å; F236-F284 HydrophobicContact CD2-CZ 4.14Å; F236-F284 AromaticContact CE1-CD2 3.5Å; F236-F284 HydrophobicContact CE1-CD2 3.5Å; F236-F284 AromaticContact CE1-CE2 3.38Å; F236-F284 HydrophobicContact CE1-CE2 3.38Å; F236-F284 HydrophobicContact CE1-CG 4.31Å; F236-F284 HydrophobicContact CE1-CZ 4.1Å; F236-F284 HydrophobicContact CE2-CE2 4.2Å; F236-F284 HydrophobicContact CE2-CZ 4.1Å; F236-F284 HydrophobicContact CG-CB 4.41Å; F236-F284 AromaticContact CG-CD1 3.99Å; F236-F284 HydrophobicContact CG-CD1 3.99Å; F236-F284 AromaticContact CG-CD2 3.85Å; F236-F284 HydrophobicContact CG-CD2 3.85Å; F236-F284 HydrophobicContact CG-CE1 4.16Å; F236-F284 HydrophobicContact CG-CE2 4.04Å; F236-F284 AromaticContact CG-CG 3.82Å; F236-F284 HydrophobicContact CG-CG 3.82Å; F236-F284 HydrophobicContact CG-CZ 4.19Å; F236-F284 HydrophobicContact CZ-CD2 4.29Å; F236-F284 AromaticContact CZ-CE2 3.74Å; F236-F284 HydrophobicContact CZ-CE2 3.74Å; F236-F284 HydrophobicContact CZ-CZ 4.08Å; V256-F284 HydrophobicContact CG1-CE1 3.79Å; V256-F284 HydrophobicContact CG1-CZ 3.93Å; H265-F284 HydrophobicContact CB-CD1 3.98Å; H265-F284 HydrophobicContact CB-CE1 4.34Å; H265-F284 AromaticContact ND1-CD1 3.9Å; H265-F284 AromaticContact ND1-CE1 3.92Å; H265-F284 CarbonylContact O-C 3.57Å; H265-F284 WeakPolarHBondContact O-CA 3.05Å; F267-F284 HydrophobicContact CE1-CB 3.9Å; F267-F284 HydrophobicContact CE1-CD1 4.07Å; F267-F284 HydrophobicContact CZ-CB 4.1Å; M276-F284 CarbonylContact C-O 3.57Å; M276-F284 VanDerWaalsContact CA-O 3.28Å; M276-F284 WeakPolarHBondContact CA-O 3.46Å; M277-F284 PolarHBondContact N-O 2.94Å; M277-F284 PolarHBondContact O-N 3.36Å; D279-F284 HydrophobicContact CB-CE2 4.15Å; T282-F284 HydrophobicContact CG2-CD1 4.27Å; T282-F284 HydrophobicContact CG2-CD2 4.26Å; T282-F284 HydrophobicContact CG2-CE1 3.91Å; T282-F284 HydrophobicContact CG2-CE2 3.89Å; T282-F284 HydrophobicContact CG2-CG 4.45Å; T282-F284 HydrophobicContact CG2-CZ 3.71Å
285	I	98.9	Very high	97.3	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	115.3	179.6	-58.2	-171.6	0	0	0	108.3	C79 L264 H265 V266 F267 M276 T283 A287 I301 F303	C79-I285 HydrophobicContact CB-CG2 4.18Å; L264-I285 HydrophobicContact CD1-CD1 3.51Å; L264-I285 HydrophobicContact CD1-CG1 3.69Å; H265-I285 PolarHBondContact O-N 3Å; V266-I285 WeakPolarHBondContact CA-O 3.4Å; F267-I285 PolarHBondContact N-O 3.47Å; M276-I285 HydrophobicContact CE-CD1 3.69Å; M276-I285 HydrophobicContact CE-CG1 3.87Å; M276-I285 HydrophobicContact CG-CD1 4.49Å; M276-I285 HydrophobicContact CG-CG1 4.03Å; M276-I285 HydrophobicContact CG-CG2 4.44Å; M276-I285 HydrophobicContact SD-CD1 4.38Å; T283-I285 HydrophobicContact CG2-CG1 4.26Å; I285-A287 HydrophobicContact CG2-CB 4.12Å; I285-I301 HydrophobicContact CD1-CG2 3.93Å; I285-I301 HydrophobicContact CG2-CB 4.04Å; I285-I301 HydrophobicContact CG2-CD1 3.68Å; I285-I301 HydrophobicContact CG2-CG1 4.45Å; I285-I301 HydrophobicContact CG2-CG2 3.91Å; I285-F303 HydrophobicContact CD1-CB 3.95Å; I285-F303 HydrophobicContact CD1-CG 4.24Å
286	N	98.9	Very high	97.2	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	107.3	162.2	-175.2	-30.7	0	0	0	107.7	L237 F267 I270 G273 G275 S288	L237-N286 HydrophobicContact CB-CB 3.78Å; L237-N286 HydrophobicContact CD1-CB 3.56Å; L237-N286 HydrophobicContact CG-CB 4.29Å; L237-N286 PolarHBondContact O-ND2 3.34Å; F267-N286 HydrophobicContact CD2-CB 4.03Å; F267-N286 HydrophobicContact CE2-CB 3.61Å; F267-N286 HydrophobicContact CZ-CB 4.43Å; F267-N286 CarbonylContact O-C 3.56Å; F267-N286 WeakPolarHBondContact O-CA 3.13Å; I270-N286 PolarHBondContact O-ND2 2.89Å; G273-N286 VanDerWaalsContact C-ND2 3.32Å; G273-N286 WeakPolarHBondContact O-CB 3.41Å; G273-N286 PolarHBondContact O-ND2 3.21Å; G275-N286 PolarHBondContact N-O 2.92Å; G275-N286 PolarHBondContact O-N 2.98Å; N286-S288 WeakPolarHBondContact OD1-CB 3.13Å; N286-S288 PolarHBondContact OD1-N 2.86Å; N286-S288 PolarHBondContact OD1-OG 3Å
287	A	98.8	Very high	97.1	Very high	3 Å²	3	36.6 Å²	36.6	3%	0.025	21%	0.212	C	C	.	.			trans	-98.2	18.9	-171.2	0	0	0	0	0	113.3	C79 I80 S81 V266 F267 I285 A289	C79-A287 HydrophobicContact CB-CB 4.04Å; I80-A287 CarbonylContact C-O 3.14Å; S81-A287 PolarHBondContact N-O 3.27Å; V266-A287 HydrophobicContact CG1-CB 4.11Å; F267-A287 PolarHBondContact O-N 3.43Å; I285-A287 HydrophobicContact CG2-CB 4.12Å; A287-A289 PolarHBondContact O-N 3.3Å
288	S	98.7	Very high	97	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-55.3	109.8	-178.5	-57.7	0	0	0	0	111.4	D82 Y274 N286 N298	D82-S288 PolarHBondContact OD2-OG 3.41Å; Y274-S288 WeakPolarHBondContact CD2-O 3.34Å; N286-S288 WeakPolarHBondContact OD1-CB 3.13Å; N286-S288 PolarHBondContact OD1-N 2.86Å; N286-S288 PolarHBondContact OD1-OG 3Å; S288-N298 VanDerWaalsContact O-CB 3.3Å; S288-N298 WeakPolarHBondContact O-CB 3.46Å; S288-N298 PolarHBondContact O-ND2 2.84Å
289	A	98.3	Very high	97	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	23%	0.229	C	C	.	.			trans	-73.8	-40.8	180	0	0	0	0	0	111.5	I80 S81 T83 I90 A287 P296 M297 N298	I80-A289 HydrophobicContact CD1-CB 3.94Å; I80-A289 HydrophobicContact CG1-CB 3.73Å; S81-A289 VanDerWaalsContact O-CB 3.23Å; S81-A289 WeakPolarHBondContact O-CB 3.43Å; S81-A289 PolarHBondContact O-N 2.63Å; T83-A289 HydrophobicContact CG2-CB 4.05Å; I90-A289 HydrophobicContact CD1-CB 4.44Å; A287-A289 PolarHBondContact O-N 3.3Å; A289-P296 CarbonylContact O-C 3.45Å; A289-P296 WeakPolarHBondContact O-CA 3.24Å; A289-M297 PolarHBondContact O-N 3.12Å; A289-M297 VanDerWaalsContact O-N 3.16Å; A289-N298 WeakPolarHBondContact O-CB 3.46Å; A289-N298 PolarHBondContact O-N 3.12Å
290	C	97.8	Very high	97	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-74.1	141.2	174.3	-77	0	0	0	0	111.7	D82 H271 L295	D82-C290 VanDerWaalsContact O-CB 3.24Å; D82-C290 WeakPolarHBondContact O-CB 3.46Å; D82-C290 PolarHBondContact O-N 2.81Å; D82-C290 PolarHBondContact O-SG 3.19Å; H271-C290 WeakPolarHBondContact CB-O 3.45Å; H271-C290 VanDerWaalsContact CG-O 3.28Å; H271-C290 PolarHBondContact ND1-O 3.33Å; C290-L295 CarbonylContact C-O 3.57Å; C290-L295 WeakPolarHBondContact CA-O 3.15Å
291	T	96.3	Very high	97	Very high	32 Å²	32	35.7 Å²	35.7	20%	0.196	20%	0.197	C	C	.	.			trans	-79.5	177.1	166.9	61.5	0	0	0	0	110.6	H271 N293 F294 L295 M297	H271-T291 PolarHBondContact ND1-O 3.07Å; T291-N293 PolarHBondContact O-N 3.44Å; T291-F294 PolarHBondContact O-N 2.95Å; T291-L295 PolarHBondContact N-O 2.93Å; T291-L295 PolarHBondContact OG1-O 3.45Å; T291-M297 HydrophobicContact CG2-CB 4.01Å
292	V	91.8	Very high	97.1	Very high	55 Å²	55	31.6 Å²	31.6	33%	0.333	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-15.1	173.1	-62.8	0	0	0	0	114.9	H271 E272	H271-V292 HydrophobicContact CB-CG1 4.42Å; E272-V292 VanDerWaalsContact CD-CG1 3.48Å; E272-V292 HydrophobicContact CG-CG1 3.4Å
293	N	93.6	Very high	97.1	Very high	114 Å²	114	33.3 Å²	33.3	61%	0.61	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.3	12.9	177.4	-62.5	-35.1	0	0	0	112.5	T291 L295	T291-N293 PolarHBondContact O-N 3.44Å; N293-L295 HydrophobicContact CB-CD1 4.44Å; N293-L295 HydrophobicContact CB-CG 4.3Å; N293-L295 PolarHBondContact O-N 2.88Å
294	F	91.3	Very high	97	Very high	84 Å²	84	33.5 Å²	33.5	37%	0.368	18%	0.18	S	C	.	.	S	Bend	trans	57.5	34.5	-178.1	-63.2	-90.6	0	0	0	113.6	H84 R86 T291	H84-F294 AromaticContact CD2-CD1 3.88Å; H84-F294 AromaticContact NE2-CE1 3.79Å; R86-F294 VanDerWaalsContact CD-O 3.28Å; R86-F294 WeakPolarHBondContact CD-O 3.49Å; R86-F294 PolarHBondContact NE-O 3.21Å; T291-F294 PolarHBondContact O-N 2.95Å
295	L	95.1	Very high	97	Very high	88 Å²	88	34 Å²	34	46%	0.461	18%	0.182	S	C	.	.			trans	-102.6	124.4	171.7	-58	178	0	0	0	109	C290 T291 N293 M297	C290-L295 CarbonylContact C-O 3.57Å; C290-L295 WeakPolarHBondContact CA-O 3.15Å; T291-L295 PolarHBondContact N-O 2.93Å; T291-L295 PolarHBondContact OG1-O 3.45Å; N293-L295 HydrophobicContact CB-CD1 4.44Å; N293-L295 HydrophobicContact CB-CG 4.3Å; N293-L295 PolarHBondContact O-N 2.88Å; L295-M297 HydrophobicContact CB-CG 3.73Å; L295-M297 PolarHBondContact O-N 2.93Å
296	P	94.8	Very high	96.9	Very high	29 Å²	29	36.9 Å²	36.9	19%	0.188	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-77.1	67.9	-177	35.4	-39.5	0	0	0	111.1	R86 I90 A289	R86-P296 HydrophobicContact CB-CB 4.25Å; R86-P296 HydrophobicContact CB-CG 3.91Å; I90-P296 HydrophobicContact CD1-CB 4.24Å; I90-P296 HydrophobicContact CG1-CB 4.16Å; A289-P296 CarbonylContact O-C 3.45Å; A289-P296 WeakPolarHBondContact O-CA 3.24Å
297	M	96.4	Very high	96.8	Very high	135 Å²	135	39.8 Å²	39.8	67%	0.665	22%	0.216	S	C	*	.			trans	-104.8	-18.8	-170.7	-63.6	-60.6	-55.2	0	0	113.5	A289 T291 L295	A289-M297 PolarHBondContact O-N 3.12Å; A289-M297 VanDerWaalsContact O-N 3.16Å; T291-M297 HydrophobicContact CG2-CB 4.01Å; L295-M297 HydrophobicContact CB-CG 3.73Å; L295-M297 PolarHBondContact O-N 2.93Å
298	N	97.8	Very high	96.6	Very high	31 Å²	31	41.6 Å²	41.6	17%	0.166	23%	0.228	C	C	.	.	S	Bend	trans	-77.6	126.5	178.9	-66.4	-26.7	0	0	0	108.9	Y274 S288 A289	Y274-N298 WeakPolarHBondContact CB-ND2 3.33Å; Y274-N298 HydrophobicContact CD1-CB 4.1Å; Y274-N298 HydrophobicContact CD2-CB 3.59Å; Y274-N298 HydrophobicContact CE1-CB 4.17Å; Y274-N298 HydrophobicContact CE2-CB 3.66Å; Y274-N298 HydrophobicContact CG-CB 3.83Å; S288-N298 VanDerWaalsContact O-CB 3.3Å; S288-N298 WeakPolarHBondContact O-CB 3.46Å; S288-N298 PolarHBondContact O-ND2 2.84Å; A289-N298 WeakPolarHBondContact O-CB 3.46Å; A289-N298 PolarHBondContact O-N 3.12Å
299	P	98	Very high	95.9	Very high	65 Å²	65	52.7 Å²	52.7	42%	0.422	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-68.7	151.7	-178.6	27.2	-32	0	0	0	110.8	Y274 I301	Y274-P299 WeakPolarHBondContact CE2-O 3.33Å; Y274-P299 WeakPolarHBondContact OH-CD 3.14Å; Y274-P299 WeakPolarHBondContact OH-CG 3.47Å; Y274-P299 PolarHBondContact OH-O 3.01Å; P299-I301 PolarHBondContact O-N 3.09Å
300	P	98.6	Very high	94.1	Very high	5 Å²	5	59.6 Å²	59.6	3%	0.032	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-56	137.6	170.4	-23.9	33.7	0	0	0	110.9	H66 V78 I80 I90 M92 P93	H66-P300 PolarHBondContact NE2-O 2.83Å; V78-P300 HydrophobicContact CG1-CB 3.86Å; I80-P300 HydrophobicContact CD1-CG 4.23Å; I90-P300 HydrophobicContact CG2-CG 3.98Å; M92-P300 HydrophobicContact CE-CB 4.4Å; M92-P300 HydrophobicContact CE-CG 4.11Å; M92-P300 HydrophobicContact SD-CG 3.71Å; P93-P300 HydrophobicContact CG-CB 4.1Å
301	I	98.8	Very high	91.8	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	128.7	177.5	-67.8	171.7	0	0	0	108.2	C79 Y274 M276 I285 P299	C79-I301 WeakPolarHBondContact CB-O 3.26Å; C79-I301 PolarHBondContact N-O 3.2Å; C79-I301 PolarHBondContact O-N 3Å; Y274-I301 HydrophobicContact CD2-CD1 4.14Å; Y274-I301 HydrophobicContact CE2-CD1 3.51Å; Y274-I301 HydrophobicContact CE2-CG1 3.7Å; Y274-I301 WeakPolarHBondContact OH-CG1 3.35Å; M276-I301 HydrophobicContact CE-CG2 4.39Å; M276-I301 HydrophobicContact CG-CD1 4.09Å; M276-I301 HydrophobicContact CG-CG2 3.97Å; M276-I301 HydrophobicContact SD-CG2 3.45Å; M276-I301 WeakPolarHBondContact SD-CG2 3.37Å; I285-I301 HydrophobicContact CD1-CG2 3.93Å; I285-I301 HydrophobicContact CG2-CB 4.04Å; I285-I301 HydrophobicContact CG2-CD1 3.68Å; I285-I301 HydrophobicContact CG2-CG1 4.45Å; I285-I301 HydrophobicContact CG2-CG2 3.91Å; P299-I301 PolarHBondContact O-N 3.09Å
302	V	98.4	Very high	91.5	Very high	1 Å²	1	71.3 Å²	71.3	1%	0.006	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	143.1	173.6	-53.6	0	0	0	0	110.8	M64 R76 F77 V78 P93	M64-V302 HydrophobicContact CE-CG2 4.18Å; M64-V302 HydrophobicContact CG-CG2 3.43Å; M64-V302 VanDerWaalsContact CG-CG2 3.43Å; M64-V302 VanDerWaalsContact CG-O 3.3Å; M64-V302 WeakPolarHBondContact CG-O 3.17Å; M64-V302 HydrophobicContact SD-CG2 3.85Å; R76-V302 HydrophobicContact CG-CB 4.11Å; F77-V302 CarbonylContact O-C 3.58Å; F77-V302 VanDerWaalsContact O-CA 3.24Å; F77-V302 WeakPolarHBondContact O-CA 3.39Å; V78-V302 HydrophobicContact CG1-CG1 4.45Å; V78-V302 HydrophobicContact CG2-CG1 4.13Å; P93-V302 HydrophobicContact CB-CG1 3.98Å; P93-V302 HydrophobicContact CG-CG1 3.45Å; P93-V302 VanDerWaalsContact CG-CG1 3.45Å
303	F	98.3	Very high	91.5	Very high	36 Å²	36	72.1 Å²	72.1	16%	0.158	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	130.7	-179.6	-169.5	-105.3	0	0	0	111.3	F77 L264 M276 T283 I285 L305	F77-F303 PolarHBondContact N-O 2.94Å; F77-F303 PolarHBondContact O-N 2.69Å; L264-F303 HydrophobicContact CD1-CD1 4.03Å; L264-F303 HydrophobicContact CD1-CE1 4.23Å; L264-F303 HydrophobicContact CD1-CG 4.5Å; L264-F303 HydrophobicContact CD2-CD1 4.1Å; M276-F303 HydrophobicContact CE-CD2 3.48Å; M276-F303 VanDerWaalsContact CE-CD2 3.48Å; M276-F303 HydrophobicContact CE-CE2 3.88Å; M276-F303 HydrophobicContact CE-CG 4.39Å; T283-F303 HydrophobicContact CG2-CD2 4.44Å; T283-F303 HydrophobicContact CG2-CE2 3.82Å; T283-F303 HydrophobicContact CG2-CZ 3.94Å; I285-F303 HydrophobicContact CD1-CB 3.95Å; I285-F303 HydrophobicContact CD1-CG 4.24Å; F303-L305 HydrophobicContact CD1-CD2 4.31Å; F303-L305 HydrophobicContact CD1-CG 4.02Å; F303-L305 HydrophobicContact CE1-CD2 3.61Å; F303-L305 HydrophobicContact CE1-CG 3.84Å
304	D	98.4	Very high	91.4	Very high	24 Å²	24	69.8 Å²	69.8	13%	0.128	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	122.6	-177	-67.6	-17.1	0	0	0	110.5	P71 Y74 T75 R76	P71-D304 VanDerWaalsContact CD-OD2 3.29Å; P71-D304 WeakPolarHBondContact CD-OD2 3.39Å; Y74-D304 HydrophobicContact CD1-CB 3.89Å; T75-D304 WeakPolarHBondContact O-CA 3.28Å; R76-D304 VanDerWaalsContact CA-OD1 3.28Å; R76-D304 WeakPolarHBondContact CA-OD1 3.36Å; R76-D304 WeakPolarHBondContact CB-OD1 3.18Å; R76-D304 VanDerWaalsContact CG-OD1 3.24Å; R76-D304 WeakPolarHBondContact CG-OD1 3.38Å; R76-D304 IonicContact CZ-OD1 3.6Å; R76-D304 IonicContact CZ-OD2 3.59Å; R76-D304 IonicContact NE-OD1 2.76Å; R76-D304 PolarHBondContact NE-OD1 2.84Å; R76-D304 IonicContact NE-OD2 3.53Å; R76-D304 IonicContact NH2-OD1 3.56Å; R76-D304 IonicContact NH2-OD2 2.78Å; R76-D304 PolarHBondContact NH2-OD2 3.22Å
305	L	98.1	Very high	91.4	Very high	11 Å²	11	68.9 Å²	68.9	6%	0.058	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	141.2	169.6	-73.5	171	0	0	0	111	Y74 T75 F77 F189 I226 K263 L264 F303 N307	Y74-L305 CarbonylContact C-O 3.54Å; Y74-L305 VanDerWaalsContact CA-O 3.27Å; Y74-L305 WeakPolarHBondContact CA-O 3.3Å; Y74-L305 WeakPolarHBondContact CB-O 3.38Å; T75-L305 PolarHBondContact N-O 2.9Å; T75-L305 PolarHBondContact O-N 3.33Å; F77-L305 HydrophobicContact CD2-CB 4.47Å; F77-L305 HydrophobicContact CD2-CD1 4.24Å; F77-L305 HydrophobicContact CD2-CG 4.45Å; F77-L305 HydrophobicContact CE2-CB 3.97Å; F77-L305 HydrophobicContact CE2-CD1 3.87Å; F77-L305 HydrophobicContact CE2-CG 4.25Å; F189-L305 HydrophobicContact CD1-CD1 4.35Å; F189-L305 HydrophobicContact CE1-CB 3.65Å; F189-L305 HydrophobicContact CE1-CD1 3.97Å; F189-L305 HydrophobicContact CE1-CG 4.45Å; F189-L305 HydrophobicContact CZ-CB 3.79Å; I226-L305 HydrophobicContact CD1-CD1 3.89Å; I226-L305 HydrophobicContact CG1-CD1 4.03Å; K263-L305 HydrophobicContact CB-CD2 4.01Å; K263-L305 HydrophobicContact CD-CD2 4.3Å; L264-L305 HydrophobicContact CB-CD1 4.27Å; F303-L305 HydrophobicContact CD1-CD2 4.31Å; F303-L305 HydrophobicContact CD1-CG 4.02Å; F303-L305 HydrophobicContact CE1-CD2 3.61Å; F303-L305 HydrophobicContact CE1-CG 3.84Å; L305-N307 PolarHBondContact O-N 3.13Å
306	P	97.9	Very high	91.2	Very high	60 Å²	60	67.8 Å²	67.8	39%	0.39	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	134.7	172.9	27.2	-32.9	0	0	0	109.3	Y74 F189	Y74-P306 HydrophobicContact CD1-CB 4.31Å; Y74-P306 VanDerWaalsContact CD1-N 3.3Å; Y74-P306 HydrophobicContact CD2-CB 4.46Å; Y74-P306 HydrophobicContact CE1-CB 3.94Å; Y74-P306 HydrophobicContact CE1-CG 4.28Å; Y74-P306 HydrophobicContact CE2-CB 4.09Å; F189-P306 WeakPolarHBondContact CZ-O 3.35Å
307	N	96.9	Very high	91	Very high	60 Å²	60	70.3 Å²	70.3	32%	0.321	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-58.2	136.2	179.4	-66.7	-18	0	0	0	109.7	G73 T75 L305 R309	G73-N307 VanDerWaalsContact O-CB 3.28Å; G73-N307 WeakPolarHBondContact O-CB 3.23Å; G73-N307 PolarHBondContact O-N 3.27Å; G73-N307 PolarHBondContact O-ND2 2.97Å; T75-N307 WeakPolarHBondContact CB-OD1 3.41Å; T75-N307 PolarHBondContact N-OD1 2.83Å; T75-N307 VanDerWaalsContact N-OD1 3.09Å; T75-N307 PolarHBondContact OG1-OD1 3.41Å; L305-N307 PolarHBondContact O-N 3.13Å; N307-R309 PolarHBondContact O-N 3.17Å
308	P	93.2	Very high	90.6	Very high	41 Å²	41	65.7 Å²	65.7	27%	0.266	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-57.1	139.1	172.9	-25.3	37.7	0	0	0	109.3	F189 T310	F189-P308 HydrophobicContact CD1-CG 3.88Å; F189-P308 HydrophobicContact CD2-CG 4.28Å; F189-P308 HydrophobicContact CE1-CG 3.94Å; F189-P308 HydrophobicContact CE2-CG 4.33Å; F189-P308 HydrophobicContact CG-CG 4.08Å; F189-P308 VanDerWaalsContact CZ-CD 3.49Å; F189-P308 HydrophobicContact CZ-CG 4.2Å; P308-T310 PolarHBondContact O-N 3.25Å
309	R	83.5	Confident	90	Very high	234 Å²	234	68.4 Å²	68.4	88%	0.883	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-64.9	125.3	173.8	-64.2	-177.5	-176.9	-178.2	0.5	107.4	N307 T311	N307-R309 PolarHBondContact O-N 3.17Å; R309-T311 PolarHBondContact O-N 3.26Å
310	T	62.3	Low	89.4	Confident	145 Å²	145	68.7 Å²	68.7	89%	0.89	37%	0.367	S	S	*	.			trans	-61.3	105.1	164.9	42.7	0	0	0	0	107.4	P308	P308-T310 PolarHBondContact O-N 3.25Å
311	T	47.9	Very low	88.5	Confident	206 Å²	206	74.5 Å²	74.5	100%	1.264	40%	0.397	S	S	*	.			trans	-77	0	166.8	50.8	0	0	0	0	110.1	R309	R309-T311 PolarHBondContact O-N 3.26Å

Retrieved 311 of 311 residues in 1827.8 ms (Link to these results)

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