A0A087Y837_POEFO Loading...

Acid sphingomyelinase-like phosphodiesterase

AlphaFold DB , UniProt , Accession A0A087Y837, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 440 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	32	Very low	240 Å²	240	153.1 Å²	153.1	100%	1.182	83%	0.831	S	S	*	*				0	92.5	0	-68.8	179.1	-166.6	0	0	106
2	A	33	Very low	31.9	Very low	97 Å²	97	150.1 Å²	150.1	80%	0.802	83%	0.828	S	S	*	*				68.3	126.5	91.7	0	0	0	0	0	110.6
3	Q	30.6	Very low	31.9	Very low	174 Å²	174	146.5 Å²	146.5	81%	0.813	83%	0.83	S	S	*	*			cis	-162.9	137.7	14	-118.9	172.3	-12.7	0	0	106.1
4	V	32.9	Very low	31.9	Very low	149 Å²	149	142.7 Å²	142.7	90%	0.903	83%	0.826	S	S	*	*			trans	-109.4	115.6	163.2	176.3	0	0	0	0	106.6	G6	V4-G6 PolarHBondContact O-N 2.98Å
5	V	35.3	Very low	31.8	Very low	116 Å²	116	139.1 Å²	139.1	70%	0.703	82%	0.819	S	S	*	*			trans	-83.4	108.3	179.2	179.4	0	0	0	0	108.1
6	G	30.8	Very low	31.9	Very low	61 Å²	61	138.3 Å²	138.3	63%	0.629	82%	0.819	S	S	*	*			trans	-90.8	117	169.8	0	0	0	0	0	110.3	V4 F8	V4-G6 PolarHBondContact O-N 2.98Å; G6-F8 PolarHBondContact O-N 2.99Å
7	F	30.8	Very low	32.2	Very low	187 Å²	187	134.1 Å²	134.1	82%	0.82	81%	0.812	S	S	*	*			trans	-73.9	112.2	168.3	-103.5	-97.2	0	0	0	109.2
8	F	30.9	Very low	32.7	Very low	192 Å²	192	131.5 Å²	131.5	84%	0.842	80%	0.801	S	S	*	*			trans	-87	106.6	163.6	-91.5	-88.7	0	0	0	108.6	G6 L10	G6-F8 PolarHBondContact O-N 2.99Å; F8-L10 PolarHBondContact O-N 3.14Å
9	L	30.4	Very low	33.4	Very low	153 Å²	153	128.1 Å²	128.1	80%	0.801	79%	0.787	S	S	*	*			trans	-72.3	108.4	161.3	-95.4	120.7	0	0	0	108.1	L11	L9-L11 PolarHBondContact O-N 3.14Å; L9-L11 VanDerWaalsContact O-N 3.16Å
10	L	29.9	Very low	34.2	Very low	154 Å²	154	122.8 Å²	122.8	81%	0.806	76%	0.757	S	S	*	*			trans	-69.4	104	161.7	-96.5	97	0	0	0	108.2	F8 C12	F8-L10 PolarHBondContact O-N 3.14Å; L10-C12 PolarHBondContact O-N 3.49Å
11	L	31.1	Very low	35	Very low	161 Å²	161	119 Å²	119	84%	0.843	73%	0.734	S	S	*	*			trans	-71.8	98.7	160.8	-86	141.3	0	0	0	107.8	L9 A13	L9-L11 PolarHBondContact O-N 3.14Å; L9-L11 VanDerWaalsContact O-N 3.16Å; L11-A13 PolarHBondContact O-N 2.63Å; L11-A13 VanDerWaalsContact O-N 3.09Å
12	C	30.8	Very low	35.2	Very low	117 Å²	117	113.9 Å²	113.9	79%	0.791	72%	0.717	S	S	*	*			trans	-63.6	106.3	162	-77.7	0	0	0	0	108	L10 A14	L10-C12 PolarHBondContact O-N 3.49Å; C12-A14 PolarHBondContact O-N 2.91Å
13	A	31.2	Very low	35.5	Very low	104 Å²	104	111.9 Å²	111.9	86%	0.86	71%	0.706	S	S	*	*			trans	-67.9	96.1	167.3	0	0	0	0	0	108.2	L11 A15	L11-A13 PolarHBondContact O-N 2.63Å; L11-A13 VanDerWaalsContact O-N 3.09Å; A13-A15 PolarHBondContact O-N 2.81Å
14	A	32.1	Very low	35.9	Very low	93 Å²	93	109 Å²	109	77%	0.769	71%	0.705	S	S	*	*			trans	-65.8	126.7	162	0	0	0	0	0	107.7	C12	C12-A14 PolarHBondContact O-N 2.91Å
15	A	30.6	Very low	36.3	Very low	88 Å²	88	106 Å²	106	73%	0.727	69%	0.691	S	S	*	*			trans	-54.7	135.2	166.4	0	0	0	0	0	108.4	A13 G17	A13-A15 PolarHBondContact O-N 2.81Å; A15-G17 PolarHBondContact O-N 2.71Å
16	P	33.2	Very low	37.3	Very low	126 Å²	126	105 Å²	105	82%	0.818	68%	0.675	S	S	*	*			trans	-67.1	110.9	177	26	-27.4	0	0	0	107.3	S18	P16-S18 PolarHBondContact O-N 3.02Å
17	G	36.8	Very low	38.7	Very low	67 Å²	67	107.2 Å²	107.2	69%	0.691	67%	0.672	S	S	*	*			trans	-54.9	128.7	160.4	0	0	0	0	0	107.1	A15 A19	A15-G17 PolarHBondContact O-N 2.71Å; G17-A19 VanDerWaalsContact C-N 3.33Å; G17-A19 PolarHBondContact O-N 3.18Å
18	S	40.8	Very low	40.6	Very low	88 Å²	88	104.5 Å²	104.5	62%	0.615	68%	0.676	S	S	*	*			trans	-58.6	100	176.4	-173.7	0	0	0	0	107.8	P16 A20	P16-S18 PolarHBondContact O-N 3.02Å; S18-A20 PolarHBondContact O-N 3.48Å
19	A	46.8	Very low	43.2	Very low	66 Å²	66	97.3 Å²	97.3	55%	0.545	66%	0.656	S	S	.	*			trans	-60.2	136.7	170.5	0	0	0	0	0	106.9	G17	G17-A19 VanDerWaalsContact C-N 3.33Å; G17-A19 PolarHBondContact O-N 3.18Å
20	A	48.7	Very low	46.2	Very low	22 Å²	22	91.3 Å²	91.3	18%	0.182	63%	0.626	C	S	.	*			trans	-46	136.4	166	0	0	0	0	0	108.1	S18 T22 Y344	S18-A20 PolarHBondContact O-N 3.48Å; A20-T22 PolarHBondContact O-N 2.73Å; A20-Y344 HydrophobicContact CB-CE1 4.15Å
21	P	50.9	Low	49.3	Very low	43 Å²	43	84.5 Å²	84.5	28%	0.279	59%	0.593	S	S	.	*			trans	-48.4	105.5	-173.7	-27.9	33	0	0	0	110.7	G23 W342 I364	P21-G23 VanDerWaalsContact C-N 3.35Å; P21-G23 PolarHBondContact O-N 3.14Å; P21-W342 HydrophobicContact CB-CH2 4.05Å; P21-W342 HydrophobicContact CG-CH2 3.68Å; P21-W342 HydrophobicContact CG-CZ2 4.11Å; P21-W342 HydrophobicContact CG-CZ3 4.07Å; P21-I364 HydrophobicContact CG-CD1 4.24Å
22	T	41.6	Very low	52.5	Low	133 Å²	133	77.4 Å²	77.4	82%	0.816	56%	0.555	S	S	*	*			trans	-80.8	88.8	-176.6	35.4	0	0	0	0	107.6	A20	A20-T22 PolarHBondContact O-N 2.73Å
23	G	39.7	Very low	55.7	Low	55 Å²	55	71.8 Å²	71.8	57%	0.567	52%	0.517	S	S	*	.	S	Bend	trans	83.6	132.9	168.8	0	0	0	0	0	115.7	P21 S25	P21-G23 VanDerWaalsContact C-N 3.35Å; P21-G23 PolarHBondContact O-N 3.14Å; G23-S25 PolarHBondContact O-N 2.86Å
24	S	37.8	Very low	58.9	Low	115 Å²	115	66.9 Å²	66.9	80%	0.804	48%	0.476	S	S	*	.			trans	72	9.1	152.6	-162.5	0	0	0	0	120.6	Y26	S24-Y26 VanDerWaalsContact C-N 3.3Å; S24-Y26 PolarHBondContact O-N 3.24Å
25	S	42.4	Very low	62.1	Low	86 Å²	86	62.4 Å²	62.4	60%	0.601	44%	0.44	S	S	*	.			trans	-92.4	23.6	168.2	74	0	0	0	0	113.8	G23 L27	G23-S25 PolarHBondContact O-N 2.86Å; S25-L27 PolarHBondContact O-N 2.87Å
26	Y	56.4	Low	65.4	Low	94 Å²	94	58.3 Å²	58.3	37%	0.369	41%	0.405	S	S	.	.			trans	-64.8	124.1	-179.2	-66	-70.6	0	0	0	110.3	S24 S28 R32 Q93	S24-Y26 VanDerWaalsContact C-N 3.3Å; S24-Y26 PolarHBondContact O-N 3.24Å; Y26-S28 PolarHBondContact O-N 2.99Å; Y26-R32 PolarHBondContact OH-NH1 3.44Å; Y26-Q93 PolarHBondContact OH-NE2 3.18Å
27	L	59.2	Low	68.5	Low	108 Å²	108	52.3 Å²	52.3	57%	0.565	37%	0.366	S	S	*	.			trans	-54.1	110.5	163.5	-71.3	166.7	0	0	0	107.3	S25 G29 T30	S25-L27 PolarHBondContact O-N 2.87Å; L27-G29 PolarHBondContact O-N 2.81Å; L27-G29 VanDerWaalsContact O-N 3.14Å; L27-T30 HydrophobicContact CB-CG2 3.69Å; L27-T30 HydrophobicContact CD1-CG2 4.38Å; L27-T30 PolarHBondContact O-N 3.38Å; L27-T30 VanDerWaalsContact O-N 3.14Å; L27-T30 PolarHBondContact O-OG1 3.29Å
28	S	71.1	Confident	71.5	Confident	129 Å²	129	49.1 Å²	49.1	90%	0.902	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	125.5	176.1	-177	0	0	0	0	109.1	Y26	Y26-S28 PolarHBondContact O-N 2.99Å
29	G	85.8	Confident	74.2	Confident	41 Å²	41	45 Å²	45	42%	0.423	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.3	15.4	-178.9	0	0	0	0	0	116.1	L27 N333	L27-G29 PolarHBondContact O-N 2.81Å; L27-G29 VanDerWaalsContact O-N 3.14Å; G29-N333 VanDerWaalsContact O-CB 3.26Å; G29-N333 WeakPolarHBondContact O-CB 3.22Å; G29-N333 PolarHBondContact O-N 2.92Å; G29-N333 PolarHBondContact O-ND2 3.4Å
30	T	92.9	Very high	76.7	Confident	27 Å²	27	41.8 Å²	41.8	17%	0.166	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	144.1	168.1	58.2	0	0	0	0	113	L27 Y331 N333	L27-T30 HydrophobicContact CB-CG2 3.69Å; L27-T30 HydrophobicContact CD1-CG2 4.38Å; L27-T30 PolarHBondContact O-N 3.38Å; L27-T30 VanDerWaalsContact O-N 3.14Å; L27-T30 PolarHBondContact O-OG1 3.29Å; T30-Y331 CarbonylContact C-O 3.48Å; T30-Y331 WeakPolarHBondContact CA-O 3.3Å; T30-Y331 WeakPolarHBondContact CB-O 3.3Å; T30-N333 VanDerWaalsContact C-ND2 3.25Å; T30-N333 PolarHBondContact O-ND2 3.47Å
31	G	96.3	Very high	79.1	Confident	11 Å²	11	41 Å²	41	11%	0.113	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	172.1	162.8	0	0	0	0	0	111	L330 Y331 N333	G31-L330 WeakPolarHBondContact O-CA 3.31Å; G31-Y331 PolarHBondContact N-O 3.47Å; G31-Y331 WeakPolarHBondContact O-CD1 3.37Å; G31-Y331 PolarHBondContact O-N 3Å; G31-N333 PolarHBondContact N-ND2 3.33Å; G31-N333 PolarHBondContact N-OD1 3.42Å
32	R	97.2	Very high	81.4	Confident	12 Å²	12	39.1 Å²	39.1	5%	0.045	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	157.3	-177.5	-38.3	178.6	-60.7	165.8	13.6	112.8	Y26 L91 Q93 D96 M328 Y329 L330 Y331	Y26-R32 PolarHBondContact OH-NH1 3.44Å; R32-L91 PolarHBondContact NH2-O 3.32Å; R32-Q93 VanDerWaalsContact NH2-CB 3.27Å; R32-D96 WeakPolarHBondContact CB-OD1 3.35Å; R32-D96 IonicContact CZ-OD1 3.64Å; R32-D96 IonicContact CZ-OD2 3.54Å; R32-D96 IonicContact NE-OD1 3.08Å; R32-D96 PolarHBondContact NE-OD1 2.69Å; R32-D96 VanDerWaalsContact NE-OD1 3.08Å; R32-D96 IonicContact NE-OD2 3.72Å; R32-D96 IonicContact NH2-OD1 2.79Å; R32-D96 PolarHBondContact NH2-OD1 2.89Å; R32-D96 IonicContact NH2-OD2 3.32Å; R32-D96 PolarHBondContact NH2-OD2 2.98Å; R32-M328 HydrophobicContact CB-CE 4.24Å; R32-M328 HydrophobicContact CB-CG 4.29Å; R32-M328 HydrophobicContact CB-SD 3.64Å; R32-Y329 WeakPolarHBondContact CA-O 3.32Å; R32-L330 HydrophobicContact CG-CG 4.36Å; R32-Y331 VanDerWaalsContact N-CE1 3.25Å
33	F	98.8	Very high	84	Confident	0 Å²	0	37.2 Å²	37.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	148.3	169.4	65.9	-88.8	0	0	0	111.9	F97 I99 Y239 F281 M328 Y329 Y331	F33-F97 CarbonylContact C-O 3.39Å; F33-F97 VanDerWaalsContact CA-O 3.24Å; F33-F97 WeakPolarHBondContact CA-O 3.11Å; F33-F97 HydrophobicContact CB-CD1 3.82Å; F33-F97 HydrophobicContact CB-CD2 3.58Å; F33-F97 HydrophobicContact CB-CE1 3.62Å; F33-F97 HydrophobicContact CB-CE2 3.36Å; F33-F97 HydrophobicContact CB-CG 3.81Å; F33-F97 HydrophobicContact CB-CZ 3.38Å; F33-F97 VanDerWaalsContact CB-O 3.3Å; F33-F97 WeakPolarHBondContact CB-O 3.46Å; F33-F97 HydrophobicContact CD1-CE1 4.12Å; F33-F97 HydrophobicContact CD1-CE2 4.05Å; F33-F97 AromaticContact CD1-CZ 3.52Å; F33-F97 HydrophobicContact CD1-CZ 3.52Å; F33-F97 AromaticContact CD2-CE2 3.93Å; F33-F97 HydrophobicContact CD2-CE2 3.93Å; F33-F97 HydrophobicContact CD2-CZ 4.26Å; F33-F97 HydrophobicContact CE1-CZ 4.36Å; F33-F97 HydrophobicContact CG-CD2 4.22Å; F33-F97 HydrophobicContact CG-CE1 4.13Å; F33-F97 AromaticContact CG-CE2 3.52Å; F33-F97 HydrophobicContact CG-CE2 3.52Å; F33-F97 AromaticContact CG-CZ 3.47Å; F33-F97 HydrophobicContact CG-CZ 3.47Å; F33-F97 VanDerWaalsContact CG-CZ 3.47Å; F33-I99 HydrophobicContact CD2-CD1 4.28Å; F33-I99 HydrophobicContact CD2-CG1 4.21Å; F33-I99 HydrophobicContact CD2-CG2 4.29Å; F33-I99 HydrophobicContact CE2-CD1 3.8Å; F33-I99 HydrophobicContact CE2-CG1 4.23Å; F33-Y239 HydrophobicContact CD1-CE2 4.21Å; F33-Y239 HydrophobicContact CE1-CD2 4.39Å; F33-Y239 AromaticContact CE1-CE2 3.63Å; F33-Y239 HydrophobicContact CE1-CE2 3.63Å; F33-Y239 HydrophobicContact CZ-CE2 4.2Å; F33-F281 HydrophobicContact CE1-CZ 4.39Å; F33-F281 HydrophobicContact CE2-CD1 4.38Å; F33-F281 HydrophobicContact CE2-CE1 4.18Å; F33-F281 HydrophobicContact CE2-CZ 4.3Å; F33-F281 HydrophobicContact CZ-CD1 4.27Å; F33-F281 AromaticContact CZ-CE1 3.63Å; F33-F281 HydrophobicContact CZ-CE1 3.63Å; F33-F281 HydrophobicContact CZ-CE2 4.06Å; F33-F281 AromaticContact CZ-CZ 3.51Å; F33-F281 HydrophobicContact CZ-CZ 3.51Å; F33-M328 WeakPolarHBondContact O-CA 3.27Å; F33-Y329 AromaticContact CD2-CD2 3.97Å; F33-Y329 HydrophobicContact CD2-CD2 3.97Å; F33-Y329 HydrophobicContact CD2-CG 4.42Å; F33-Y329 HydrophobicContact CE1-CG 4.06Å; F33-Y329 AromaticContact CE2-CD2 3.27Å; F33-Y329 HydrophobicContact CE2-CD2 3.27Å; F33-Y329 AromaticContact CE2-CE2 3.99Å; F33-Y329 HydrophobicContact CE2-CE2 3.99Å; F33-Y329 AromaticContact CE2-CG 3.62Å; F33-Y329 HydrophobicContact CE2-CG 3.62Å; F33-Y329 HydrophobicContact CZ-CD1 4.1Å; F33-Y329 AromaticContact CZ-CD2 3.61Å; F33-Y329 HydrophobicContact CZ-CD2 3.61Å; F33-Y329 HydrophobicContact CZ-CE2 4.43Å; F33-Y329 AromaticContact CZ-CG 3.4Å; F33-Y329 HydrophobicContact CZ-CG 3.4Å; F33-Y329 PolarHBondContact N-O 3.43Å; F33-Y329 VanDerWaalsContact N-O 3.08Å; F33-Y329 PolarHBondContact O-N 3.09Å; F33-Y331 AromaticContact CD1-CD1 3.58Å; F33-Y331 HydrophobicContact CD1-CD1 3.58Å; F33-Y331 AromaticContact CD1-CE1 3.71Å; F33-Y331 HydrophobicContact CD1-CE1 3.71Å; F33-Y331 AromaticContact CE1-CD1 3.83Å; F33-Y331 HydrophobicContact CE1-CD1 3.83Å; F33-Y331 HydrophobicContact CE1-CE1 4.39Å
34	W	98.9	Very high	86.8	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	148.7	174.2	-66.8	106.9	0	0	0	111.4	M88 L91 T92 F97 I98 I99 F326 R327 M328 Y344	W34-M88 HydrophobicContact CB-CE 3.96Å; W34-M88 HydrophobicContact CD2-CE 3.87Å; W34-M88 HydrophobicContact CE3-CE 4.11Å; W34-M88 HydrophobicContact CG-CE 3.81Å; W34-L91 HydrophobicContact CH2-CB 4.13Å; W34-L91 HydrophobicContact CH2-CD1 4.14Å; W34-L91 HydrophobicContact CZ2-CB 3.74Å; W34-T92 PolarHBondContact NE1-OG1 3.45Å; W34-F97 PolarHBondContact N-O 3.06Å; W34-I98 HydrophobicContact CB-CG1 4.2Å; W34-I98 HydrophobicContact CB-CG2 4.34Å; W34-I98 CarbonylContact O-C 3.6Å; W34-I98 WeakPolarHBondContact O-CA 3.42Å; W34-I99 WeakPolarHBondContact O-CG1 3.29Å; W34-I99 PolarHBondContact O-N 3.3Å; W34-F326 AromaticContact CE3-CD2 3.96Å; W34-F326 HydrophobicContact CE3-CD2 3.96Å; W34-F326 HydrophobicContact CE3-CE2 4.3Å; W34-F326 HydrophobicContact CH2-CE2 4.13Å; W34-F326 AromaticContact CZ3-CD2 3.66Å; W34-F326 HydrophobicContact CZ3-CD2 3.66Å; W34-F326 AromaticContact CZ3-CE2 3.62Å; W34-F326 HydrophobicContact CZ3-CE2 3.62Å; W34-R327 CarbonylContact C-O 3.59Å; W34-R327 WeakPolarHBondContact CA-O 3.48Å; W34-M328 HydrophobicContact CD2-CB 4.3Å; W34-M328 HydrophobicContact CD2-CE 3.69Å; W34-M328 HydrophobicContact CD2-SD 3.91Å; W34-M328 HydrophobicContact CE3-CB 3.74Å; W34-M328 HydrophobicContact CE3-CE 4.29Å; W34-M328 HydrophobicContact CE3-SD 4.31Å; W34-M328 HydrophobicContact CG-CE 4.21Å; W34-M328 HydrophobicContact CG-SD 4.15Å; W34-M328 HydrophobicContact CH2-CB 4.08Å; W34-M328 HydrophobicContact CH2-CE 3.94Å; W34-M328 HydrophobicContact CZ2-CE 3.3Å; W34-M328 HydrophobicContact CZ2-SD 4.48Å; W34-M328 HydrophobicContact CZ3-CB 3.61Å; W34-M328 HydrophobicContact CZ3-CE 4.39Å; W34-Y344 HydrophobicContact CH2-CD2 4.25Å; W34-Y344 AromaticContact CH2-CE2 3.73Å; W34-Y344 HydrophobicContact CH2-CE2 3.73Å; W34-Y344 AromaticContact CZ3-CD2 3.83Å; W34-Y344 HydrophobicContact CZ3-CD2 3.83Å; W34-Y344 AromaticContact CZ3-CE2 3.66Å; W34-Y344 HydrophobicContact CZ3-CE2 3.66Å
35	H	98.9	Very high	89.7	Confident	0 Å²	0	31.7 Å²	31.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	118.7	167.2	-175.4	-179.1	0	0	0	109.1	I99 T101 Y282 R327 Y329	H35-I99 WeakPolarHBondContact CA-O 3.14Å; H35-I99 HydrophobicContact CB-CD1 3.82Å; H35-I99 HydrophobicContact CB-CG1 3.58Å; H35-T101 PolarHBondContact NE2-OG1 2.89Å; H35-Y282 PolarHBondContact CE1-O 2.97Å; H35-R327 HydrophobicContact CB-CG 3.96Å; H35-R327 PolarHBondContact N-O 3.45Å; H35-R327 PolarHBondContact O-N 3.09Å; H35-Y329 HydrophobicContact CB-CD2 4.07Å; H35-Y329 HydrophobicContact CB-CE2 3.54Å; H35-Y329 AromaticContact ND1-CE2 3.7Å
36	I	98.9	Very high	92.3	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	146.3	171.4	60.1	174.3	0	0	0	109.2	F85 M88 I98 I99 W100 T101 I129 F326	I36-F85 HydrophobicContact CD1-CE1 3.68Å; I36-F85 HydrophobicContact CD1-CZ 3.96Å; I36-F85 HydrophobicContact CG2-CE1 4.35Å; I36-M88 HydrophobicContact CG2-CE 3.57Å; I36-M88 HydrophobicContact CG2-SD 3.9Å; I36-I98 HydrophobicContact CD1-CG2 4.06Å; I36-I98 HydrophobicContact CG1-CG2 3.93Å; I36-I99 PolarHBondContact N-O 2.89Å; I36-W100 HydrophobicContact CD1-CB 4.25Å; I36-W100 HydrophobicContact CD1-CG 4.26Å; I36-W100 HydrophobicContact CG1-CB 3.91Å; I36-W100 HydrophobicContact CG1-CG 4.14Å; I36-W100 VanDerWaalsContact O-CA 3.28Å; I36-W100 WeakPolarHBondContact O-CA 3.15Å; I36-T101 PolarHBondContact O-N 3.44Å; I36-T101 VanDerWaalsContact O-N 3.12Å; I36-I129 HydrophobicContact CD1-CD1 3.86Å; I36-I129 HydrophobicContact CD1-CG1 4.2Å; I36-F326 HydrophobicContact CG2-CB 4.1Å
37	T	98.9	Very high	94.3	Very high	1 Å²	1	33 Å²	33	1%	0.006	20%	0.199	C	C	.	.			trans	-159.3	158.7	-177.2	-161.9	0	0	0	0	110.3	L39 T101 G283 P308 V310	T37-L39 PolarHBondContact O-N 2.83Å; T37-T101 WeakPolarHBondContact CB-OG1 3.48Å; T37-T101 PolarHBondContact OG1-OG1 2.9Å; T37-G283 WeakPolarHBondContact OG1-CA 3.41Å; T37-P308 WeakPolarHBondContact CG2-O 3.41Å; T37-V310 PolarHBondContact O-N 2.89Å
38	D	98.9	Very high	96.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.186	C	C	.	.			trans	52.7	58.3	167.4	-55.8	-100.5	0	0	0	110.5	H40 G102 H243 G283 H284 H286 A309 V310 T311	D38-H40 IonicContact OD1-NE2 3.31Å; D38-G102 PolarHBondContact N-O 2.84Å; D38-H243 IonicContact OD1-CE1 3.51Å; D38-H243 PolarHBondContact OD1-CE1 2.85Å; D38-G283 WeakPolarHBondContact OD2-CA 3.34Å; D38-H284 WeakPolarHBondContact OD1-CA 3.45Å; D38-H284 PolarHBondContact OD1-N 3.2Å; D38-H284 PolarHBondContact OD2-N 3.25Å; D38-H286 IonicContact OD1-CD2 3.22Å; D38-H286 PolarHBondContact OD1-CD2 3.36Å; D38-H286 VanDerWaalsContact OD1-CD2 3.29Å; D38-H286 IonicContact OD1-NE2 3.13Å; D38-H286 PolarHBondContact OD1-NE2 3.12Å; D38-A309 HydrophobicContact CB-CB 3.45Å; D38-A309 VanDerWaalsContact CB-CB 3.45Å; D38-V310 PolarHBondContact O-N 3.3Å; D38-T311 PolarHBondContact O-N 3.35Å; D38-T311 VanDerWaalsContact O-N 3.16Å
39	L	98.9	Very high	97.2	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	19%	0.189	C	C	.	.			trans	-71.7	-39.1	-178.8	-61.1	-177.8	0	0	0	110.4	T37 L41 S76 I81 F85 W100 D103 M125 V310	T37-L39 PolarHBondContact O-N 2.83Å; L39-L41 PolarHBondContact O-N 3.44Å; L39-S76 WeakPolarHBondContact O-CB 3.26Å; L39-S76 PolarHBondContact O-OG 2.66Å; L39-I81 HydrophobicContact CB-CD1 4.16Å; L39-F85 HydrophobicContact CD1-CZ 4.01Å; L39-F85 HydrophobicContact CD2-CZ 4.23Å; L39-W100 HydrophobicContact CD1-CZ2 4.42Å; L39-D103 PolarHBondContact N-O 2.71Å; L39-M125 HydrophobicContact CB-SD 4.38Å; L39-M125 HydrophobicContact CD1-CB 4.21Å; L39-M125 HydrophobicContact CD1-CG 4.03Å; L39-M125 HydrophobicContact CD1-SD 3.8Å; L39-V310 HydrophobicContact CD2-CB 3.92Å; L39-V310 HydrophobicContact CD2-CG2 3.61Å
40	H	98.9	Very high	97.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.			trans	35.8	71.6	-177.7	-65	-81	0	0	0	112.6	D38 D42 D75 S76 D103 S104 P105 H107 H145 H286 T311	D38-H40 IonicContact OD1-NE2 3.31Å; H40-D42 PolarHBondContact O-N 2.95Å; H40-D75 HydrophobicContact CB-CB 4.17Å; H40-D75 WeakPolarHBondContact CB-OD1 3.34Å; H40-D75 IonicContact CG-OD1 2.65Å; H40-D75 WeakPolarHBondContact O-CB 3.36Å; H40-S76 WeakPolarHBondContact O-CB 3.41Å; H40-S76 PolarHBondContact O-N 3.07Å; H40-D103 IonicContact CE1-OD2 3.13Å; H40-D103 PolarHBondContact CE1-OD2 3.35Å; H40-D103 PolarHBondContact N-O 3.09Å; H40-D103 WeakPolarHBondContact NE2-CB 3.31Å; H40-D103 IonicContact NE2-OD2 2.83Å; H40-D103 PolarHBondContact NE2-OD2 2.95Å; H40-S104 CarbonylContact C-O 3.58Å; H40-S104 VanDerWaalsContact CA-O 3.26Å; H40-S104 WeakPolarHBondContact CA-O 3.37Å; H40-P105 PolarHBondContact ND1-O 3.05Å; H40-H107 AromaticContact CD2-CE1 3.67Å; H40-H107 AromaticContact CE1-CE1 3.16Å; H40-H107 PolarHBondContact CE1-CE1 3.48Å; H40-H107 AromaticContact CE1-ND1 3.9Å; H40-H107 AromaticContact CE1-NE2 3.59Å; H40-H107 AromaticContact CG-CE1 3.64Å; H40-H107 AromaticContact CG-ND1 3.95Å; H40-H107 AromaticContact ND1-CE1 3.35Å; H40-H107 PolarHBondContact ND1-CE1 3.03Å; H40-H107 AromaticContact ND1-ND1 3.66Å; H40-H107 AromaticContact NE2-CE1 3.34Å; H40-H107 PolarHBondContact NE2-CE1 2.84Å; H40-H107 VanDerWaalsContact NE2-CE1 3.34Å; H40-H107 AromaticContact NE2-NE2 3.91Å; H40-H145 AromaticContact CE1-CD2 3.84Å; H40-H145 AromaticContact CE1-CG 3.83Å; H40-H286 AromaticContact CD2-CE1 3.91Å; H40-H286 AromaticContact CD2-NE2 3.72Å; H40-H286 AromaticContact NE2-CE1 3.8Å; H40-H286 AromaticContact NE2-NE2 3.32Å; H40-H286 PolarHBondContact NE2-NE2 3.07Å; H40-T311 HydrophobicContact CB-CG2 3.99Å; H40-T311 VanDerWaalsContact CD2-CG2 3.43Å; H40-T311 WeakPolarHBondContact CD2-CG2 3.37Å
41	L	98.9	Very high	98	Very high	5 Å²	5	35 Å²	35	3%	0.026	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-63.6	123.6	172.6	171.5	65.2	0	0	0	108.8	L39 P43 Y78 I81 S104 P106 V121 M125	L39-L41 PolarHBondContact O-N 3.44Å; L41-P43 HydrophobicContact CD2-CG 4.34Å; L41-P43 HydrophobicContact CG-CG 4.22Å; L41-P43 VanDerWaalsContact O-CD 3.31Å; L41-P43 WeakPolarHBondContact O-CD 3.48Å; L41-Y78 HydrophobicContact CD1-CD2 4.19Å; L41-Y78 HydrophobicContact CD1-CG 4.44Å; L41-I81 HydrophobicContact CB-CD1 3.88Å; L41-I81 HydrophobicContact CD1-CD1 4.15Å; L41-S104 PolarHBondContact N-O 2.84Å; L41-P106 WeakPolarHBondContact O-CB 3.42Å; L41-P106 WeakPolarHBondContact O-CD 3.39Å; L41-P106 WeakPolarHBondContact O-CG 3.27Å; L41-V121 HydrophobicContact CB-CG1 4.14Å; L41-V121 HydrophobicContact CD2-CG1 4.33Å; L41-M125 HydrophobicContact CB-CE 4.24Å; L41-M125 HydrophobicContact CB-SD 4.29Å; L41-M125 HydrophobicContact CD2-CE 3.67Å; L41-M125 HydrophobicContact CG-CE 4.42Å
42	D	98.6	Very high	98.1	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	20%	0.201	C	C	.	.			trans	-97.9	102	163.8	-168.1	-23.7	0	0	0	109.9	H40 S44 Y45 C55 F56 S57 D75 S76 P106	H40-D42 PolarHBondContact O-N 2.95Å; D42-S44 VanDerWaalsContact CG-OG 3.32Å; D42-S44 PolarHBondContact O-N 3.46Å; D42-S44 WeakPolarHBondContact OD1-CA 3.22Å; D42-S44 VanDerWaalsContact OD1-CB 3.27Å; D42-S44 WeakPolarHBondContact OD1-CB 3.4Å; D42-S44 PolarHBondContact OD1-N 3.25Å; D42-S44 PolarHBondContact OD1-OG 3.38Å; D42-S44 PolarHBondContact OD2-OG 3.49Å; D42-Y45 PolarHBondContact O-N 2.84Å; D42-C55 WeakPolarHBondContact OD2-CB 3.43Å; D42-F56 PolarHBondContact OD2-N 3.39Å; D42-S57 VanDerWaalsContact OD2-CB 3.22Å; D42-S57 WeakPolarHBondContact OD2-CB 3.27Å; D42-S57 PolarHBondContact OD2-N 2.94Å; D42-S57 VanDerWaalsContact OD2-N 3.15Å; D42-S57 PolarHBondContact OD2-OG 3.3Å; D42-D75 HydrophobicContact CB-CB 3.79Å; D42-S76 PolarHBondContact N-O 3.32Å; D42-P106 HydrophobicContact CB-CB 4.15Å
43	P	97.4	Very high	98.1	Very high	93 Å²	93	42.4 Å²	42.4	60%	0.604	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-15	179	-16.7	32.4	0	0	0	113.3	L41 V121	L41-P43 HydrophobicContact CD2-CG 4.34Å; L41-P43 HydrophobicContact CG-CG 4.22Å; L41-P43 VanDerWaalsContact O-CD 3.31Å; L41-P43 WeakPolarHBondContact O-CD 3.48Å; P43-V121 HydrophobicContact CG-CG2 4.39Å
44	S	97.6	Very high	98.1	Very high	23 Å²	23	42.6 Å²	42.6	16%	0.161	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-12.1	179.2	76.9	0	0	0	0	113	D42 H46 F56	D42-S44 VanDerWaalsContact CG-OG 3.32Å; D42-S44 PolarHBondContact O-N 3.46Å; D42-S44 WeakPolarHBondContact OD1-CA 3.22Å; D42-S44 VanDerWaalsContact OD1-CB 3.27Å; D42-S44 WeakPolarHBondContact OD1-CB 3.4Å; D42-S44 PolarHBondContact OD1-N 3.25Å; D42-S44 PolarHBondContact OD1-OG 3.38Å; D42-S44 PolarHBondContact OD2-OG 3.49Å; S44-H46 PolarHBondContact O-N 3.08Å; S44-H46 PolarHBondContact O-ND1 3.22Å; S44-F56 WeakPolarHBondContact OG-CB 3.46Å; S44-F56 WeakPolarHBondContact OG-CG 3.48Å; S44-F56 PolarHBondContact OG-N 3.3Å
45	Y	98.6	Very high	98	Very high	31 Å²	31	42.7 Å²	42.7	12%	0.122	23%	0.226	C	C	.	.			trans	-59.5	120.8	-174.3	-170.6	-78.6	0	0	0	111.9	D42 L47 V54 C55 G67 G70 C74 P77	D42-Y45 PolarHBondContact O-N 2.84Å; Y45-L47 HydrophobicContact CE1-CD2 4.27Å; Y45-V54 CarbonylContact C-O 3.57Å; Y45-V54 VanDerWaalsContact CA-O 3.3Å; Y45-V54 WeakPolarHBondContact CA-O 3.4Å; Y45-V54 HydrophobicContact CD2-CG1 4.16Å; Y45-V54 HydrophobicContact CE2-CG1 3.72Å; Y45-C55 HydrophobicContact CD2-CB 3.88Å; Y45-G67 WeakPolarHBondContact CE1-O 3.18Å; Y45-G67 PolarHBondContact OH-N 3.48Å; Y45-G67 PolarHBondContact OH-O 2.91Å; Y45-G70 VanDerWaalsContact OH-CA 3.25Å; Y45-G70 WeakPolarHBondContact OH-CA 3.39Å; Y45-G70 PolarHBondContact OH-O 3.01Å; Y45-C74 HydrophobicContact CD2-CB 3.88Å; Y45-C74 HydrophobicContact CE2-CB 3.81Å; Y45-P77 HydrophobicContact CD1-CB 3.51Å; Y45-P77 HydrophobicContact CD1-CG 4.1Å; Y45-P77 HydrophobicContact CD2-CB 4.29Å; Y45-P77 HydrophobicContact CD2-CG 4.46Å; Y45-P77 HydrophobicContact CE1-CB 4.01Å; Y45-P77 HydrophobicContact CE1-CG 4.13Å; Y45-P77 HydrophobicContact CG-CB 3.66Å; Y45-P77 HydrophobicContact CG-CG 4.26Å
46	H	98.3	Very high	97.9	Very high	97 Å²	97	48 Å²	48	45%	0.449	25%	0.249	S	C	.	.			trans	-152.4	151.9	170.7	64.7	-71.2	0	0	0	110.6	S44 A48 K53 V54	S44-H46 PolarHBondContact O-N 3.08Å; S44-H46 PolarHBondContact O-ND1 3.22Å; H46-A48 PolarHBondContact O-N 2.72Å; H46-K53 PolarHBondContact CE1-O 3.32Å; H46-V54 PolarHBondContact N-O 2.66Å; H46-V54 VanDerWaalsContact O-CA 3.3Å; H46-V54 WeakPolarHBondContact O-CA 3.43Å; H46-V54 VanDerWaalsContact O-O 3.14Å
47	L	97.7	Very high	97.9	Very high	110 Å²	110	48.1 Å²	48.1	58%	0.576	25%	0.25	S	S	*	.			trans	-73.8	113.1	174.6	-60.9	-178.4	0	0	0	109.6	Y45 A66	Y45-L47 HydrophobicContact CE1-CD2 4.27Å; L47-A66 HydrophobicContact CD2-CB 4.01Å
48	A	95.9	Very high	97.8	Very high	35 Å²	35	48.6 Å²	48.6	29%	0.289	25%	0.254	S	S	.	.			trans	-114.1	151.7	-179.9	0	0	0	0	0	111.1	H46 D50 K53 V54	H46-A48 PolarHBondContact O-N 2.72Å; A48-D50 VanDerWaalsContact C-N 3.27Å; A48-K53 HydrophobicContact CB-CB 4.22Å; A48-V54 HydrophobicContact CB-CG2 4.45Å
49	Q	95.8	Very high	97.7	Very high	207 Å²	207	55 Å²	55	97%	0.967	28%	0.282	S	S	*	.	S	Bend	trans	-65.9	-33.7	171.5	-70.3	-177.1	-2.2	0	0	112.1	P51	Q49-P51 WeakPolarHBondContact O-CD 3.47Å
50	D	97.7	Very high	97.5	Very high	62 Å²	62	57 Å²	57	33%	0.332	30%	0.303	S	S	.	.	S	Bend	trans	-87.7	110	175.1	-176.6	-3.4	0	0	0	108.8	A48 T52 K53	A48-D50 VanDerWaalsContact C-N 3.27Å; D50-T52 PolarHBondContact O-N 3.32Å; D50-T52 VanDerWaalsContact O-N 3.1Å; D50-T52 PolarHBondContact OD1-N 2.73Å; D50-T52 PolarHBondContact OD1-OG1 3.11Å; D50-T52 VanDerWaalsContact OD1-OG1 3.11Å; D50-K53 HydrophobicContact CB-CB 4.34Å; D50-K53 HydrophobicContact CB-CD 4.09Å; D50-K53 HydrophobicContact CB-CG 4.18Å; D50-K53 PolarHBondContact O-N 2.87Å; D50-K53 WeakPolarHBondContact OD2-CD 3.49Å; D50-K53 WeakPolarHBondContact OD2-CE 3.25Å; D50-K53 IonicContact OD2-NZ 3.59Å
51	P	97.4	Very high	97.4	Very high	42 Å²	42	58 Å²	58	27%	0.273	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-65.4	-15.5	-173.6	27.3	-35.2	0	0	0	113.1	Q49 K53 P62 A63 T64	Q49-P51 WeakPolarHBondContact O-CD 3.47Å; P51-K53 VanDerWaalsContact C-N 3.26Å; P51-P62 HydrophobicContact CB-CB 3.94Å; P51-P62 HydrophobicContact CG-CB 3.91Å; P51-A63 PolarHBondContact O-N 2.9Å; P51-T64 HydrophobicContact CB-CG2 4.14Å; P51-T64 HydrophobicContact CG-CG2 4.4Å
52	T	97.4	Very high	97.3	Very high	57 Å²	57	60.3 Å²	60.3	35%	0.35	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-83.1	-3.5	175.3	74.6	0	0	0	0	113	D50 G60 P62	D50-T52 PolarHBondContact O-N 3.32Å; D50-T52 VanDerWaalsContact O-N 3.1Å; D50-T52 PolarHBondContact OD1-N 2.73Å; D50-T52 PolarHBondContact OD1-OG1 3.11Å; D50-T52 VanDerWaalsContact OD1-OG1 3.11Å; T52-G60 WeakPolarHBondContact CB-O 3.45Å; T52-G60 WeakPolarHBondContact CG2-O 3.09Å; T52-P62 HydrophobicContact CG2-CB 4.1Å
53	K	97.8	Very high	97.2	Very high	123 Å²	123	60.2 Å²	60.2	54%	0.535	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-113.1	6.6	-178.2	-64.4	-175.1	-177.9	168.6	0	113.4	H46 A48 D50 P51 C55	H46-K53 PolarHBondContact CE1-O 3.32Å; A48-K53 HydrophobicContact CB-CB 4.22Å; D50-K53 HydrophobicContact CB-CB 4.34Å; D50-K53 HydrophobicContact CB-CD 4.09Å; D50-K53 HydrophobicContact CB-CG 4.18Å; D50-K53 PolarHBondContact O-N 2.87Å; D50-K53 WeakPolarHBondContact OD2-CD 3.49Å; D50-K53 WeakPolarHBondContact OD2-CE 3.25Å; D50-K53 IonicContact OD2-NZ 3.59Å; P51-K53 VanDerWaalsContact C-N 3.26Å; K53-C55 VanDerWaalsContact C-N 3.35Å
54	V	98.3	Very high	97.2	Very high	3 Å²	3	60.3 Å²	60.3	2%	0.018	33%	0.325	C	S	.	.	S	Bend	trans	-63	-43.5	-179.7	171.1	0	0	0	0	111.3	Y45 H46 A48 A63 A66	Y45-V54 CarbonylContact C-O 3.57Å; Y45-V54 VanDerWaalsContact CA-O 3.3Å; Y45-V54 WeakPolarHBondContact CA-O 3.4Å; Y45-V54 HydrophobicContact CD2-CG1 4.16Å; Y45-V54 HydrophobicContact CE2-CG1 3.72Å; H46-V54 PolarHBondContact N-O 2.66Å; H46-V54 VanDerWaalsContact O-CA 3.3Å; H46-V54 WeakPolarHBondContact O-CA 3.43Å; H46-V54 VanDerWaalsContact O-O 3.14Å; A48-V54 HydrophobicContact CB-CG2 4.45Å; V54-A63 HydrophobicContact CB-CB 3.98Å; V54-A63 HydrophobicContact CG1-CB 4.15Å; V54-A63 HydrophobicContact CG2-CB 4.16Å; V54-A66 HydrophobicContact CB-CB 4.44Å; V54-A66 HydrophobicContact CG1-CB 3.61Å; V54-A66 HydrophobicContact CG2-CB 4.06Å
55	C	97.9	Very high	97.1	Very high	2 Å²	2	66.4 Å²	66.4	1%	0.014	35%	0.35	C	S	.	.			trans	-154.7	142.6	-174	65.4	0	0	0	0	110.1	D42 Y45 K53 S57 S58 C74	D42-C55 WeakPolarHBondContact OD2-CB 3.43Å; Y45-C55 HydrophobicContact CD2-CB 3.88Å; K53-C55 VanDerWaalsContact C-N 3.35Å; C55-S57 VanDerWaalsContact C-N 3.32Å; C55-S58 PolarHBondContact O-N 2.77Å; C55-S58 PolarHBondContact O-OG 2.9Å; C55-S58 VanDerWaalsContact SG-CB 3.52Å; C55-C74 HydrophobicContact CB-CB 3.75Å; C55-C74 WeakPolarHBondContact CB-SG 3.35Å; C55-C74 VanDerWaalsContact SG-CA 3.51Å; C55-C74 WeakPolarHBondContact SG-CB 3.44Å; C55-C74 CovalentContact SG-SG 2.03Å; C55-C74 PolarHBondContact SG-SG 2.97Å
56	F	96.9	Very high	97	Very high	111 Å²	111	66.3 Å²	66.3	49%	0.487	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-73.1	-28.4	178.5	-70	0.6	0	0	0	111.9	D42 S44 S58 K59 V108	D42-F56 PolarHBondContact OD2-N 3.39Å; S44-F56 WeakPolarHBondContact OG-CB 3.46Å; S44-F56 WeakPolarHBondContact OG-CG 3.48Å; S44-F56 PolarHBondContact OG-N 3.3Å; F56-S58 PolarHBondContact O-N 3.45Å; F56-K59 PolarHBondContact O-N 2.93Å; F56-V108 HydrophobicContact CB-CG1 3.79Å
57	S	97.7	Very high	97	Very high	4 Å²	4	62.1 Å²	62.1	3%	0.028	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-58.2	-26.9	174.7	49.7	0	0	0	0	114	D42 C55 K59 C74 D75	D42-S57 VanDerWaalsContact OD2-CB 3.22Å; D42-S57 WeakPolarHBondContact OD2-CB 3.27Å; D42-S57 PolarHBondContact OD2-N 2.94Å; D42-S57 VanDerWaalsContact OD2-N 3.15Å; D42-S57 PolarHBondContact OD2-OG 3.3Å; C55-S57 VanDerWaalsContact C-N 3.32Å; S57-K59 PolarHBondContact O-N 3.38Å; S57-C74 WeakPolarHBondContact OG-CA 3.34Å; S57-D75 WeakPolarHBondContact CB-OD2 3.31Å; S57-D75 PolarHBondContact OG-N 3.08Å
58	S	97.3	Very high	97.1	Very high	11 Å²	11	60.9 Å²	60.9	8%	0.077	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-67.9	-16.5	173	70.3	0	0	0	0	114.1	C55 F56 G60 A61 L73	C55-S58 PolarHBondContact O-N 2.77Å; C55-S58 PolarHBondContact O-OG 2.9Å; C55-S58 VanDerWaalsContact SG-CB 3.52Å; F56-S58 PolarHBondContact O-N 3.45Å; S58-G60 PolarHBondContact O-N 2.91Å; S58-G60 PolarHBondContact OG-N 3.07Å; S58-A61 WeakPolarHBondContact CB-O 3.42Å; S58-A61 VanDerWaalsContact O-CB 3.25Å; S58-A61 WeakPolarHBondContact O-CB 3.44Å; S58-A61 PolarHBondContact O-N 3.16Å; S58-A61 PolarHBondContact OG-O 3.35Å; S58-L73 VanDerWaalsContact CA-O 3.29Å; S58-L73 WeakPolarHBondContact CA-O 3.39Å
59	K	96.4	Very high	97.2	Very high	135 Å²	135	60.4 Å²	60.4	59%	0.587	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	36.9	-177.5	-58.6	160.3	-166.5	171.6	0	112.2	F56 S57 H107	F56-K59 PolarHBondContact O-N 2.93Å; S57-K59 PolarHBondContact O-N 3.38Å; K59-H107 WeakPolarHBondContact CE-O 3.28Å
60	G	95.3	Very high	97.3	Very high	43 Å²	43	50.5 Å²	50.5	44%	0.443	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	1.9	-179.8	0	0	0	0	0	114.8	T52 S58	T52-G60 WeakPolarHBondContact CB-O 3.45Å; T52-G60 WeakPolarHBondContact CG2-O 3.09Å; S58-G60 PolarHBondContact O-N 2.91Å; S58-G60 PolarHBondContact OG-N 3.07Å
61	A	96.7	Very high	97.4	Very high	19 Å²	19	48 Å²	48	16%	0.157	26%	0.264	C	S	.	.			trans	-67.7	138.2	168.7	0	0	0	0	0	110.2	S58 A63 L73 F316	S58-A61 WeakPolarHBondContact CB-O 3.42Å; S58-A61 VanDerWaalsContact O-CB 3.25Å; S58-A61 WeakPolarHBondContact O-CB 3.44Å; S58-A61 PolarHBondContact O-N 3.16Å; S58-A61 PolarHBondContact OG-O 3.35Å; A61-A63 PolarHBondContact O-N 3.21Å; A61-L73 HydrophobicContact CB-CD1 4.3Å; A61-F316 HydrophobicContact CB-CD2 4.23Å
62	P	97	Very high	97.4	Very high	54 Å²	54	47.4 Å²	47.4	35%	0.351	26%	0.257	S	S	.	.			trans	-75.8	109.1	-174.5	29.6	-34.7	0	0	0	112.1	P51 T52 T64	P51-P62 HydrophobicContact CB-CB 3.94Å; P51-P62 HydrophobicContact CG-CB 3.91Å; T52-P62 HydrophobicContact CG2-CB 4.1Å; P62-T64 VanDerWaalsContact C-N 3.3Å; P62-T64 HydrophobicContact CB-CG2 4.18Å; P62-T64 PolarHBondContact O-N 2.99Å
63	A	97.3	Very high	97.5	Very high	3 Å²	3	45.8 Å²	45.8	3%	0.025	25%	0.246	C	C	.	.			trans	-78	75.3	173.3	0	0	0	0	0	110.8	P51 V54 A61 H65 A66 D71	P51-A63 PolarHBondContact O-N 2.9Å; V54-A63 HydrophobicContact CB-CB 3.98Å; V54-A63 HydrophobicContact CG1-CB 4.15Å; V54-A63 HydrophobicContact CG2-CB 4.16Å; A61-A63 PolarHBondContact O-N 3.21Å; A63-H65 VanDerWaalsContact C-N 3.29Å; A63-H65 PolarHBondContact O-N 3.43Å; A63-A66 HydrophobicContact CB-CB 4.3Å; A63-A66 WeakPolarHBondContact O-CB 3.33Å; A63-D71 HydrophobicContact CB-CB 4.05Å
64	T	95.6	Very high	97.5	Very high	94 Å²	94	39.9 Å²	39.9	58%	0.577	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-14.5	-171.3	47.7	0	0	0	0	114.9	P51 P62	P51-T64 HydrophobicContact CB-CG2 4.14Å; P51-T64 HydrophobicContact CG-CG2 4.4Å; P62-T64 VanDerWaalsContact C-N 3.3Å; P62-T64 HydrophobicContact CB-CG2 4.18Å; P62-T64 PolarHBondContact O-N 2.99Å
65	H	95.6	Very high	97.5	Very high	152 Å²	152	39.8 Å²	39.8	70%	0.704	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.7	21.5	-179.1	-55.1	94.9	0	0	0	111.8	A63 G67 D71	A63-H65 VanDerWaalsContact C-N 3.29Å; A63-H65 PolarHBondContact O-N 3.43Å; H65-G67 PolarHBondContact O-N 2.8Å; H65-D71 WeakPolarHBondContact CA-OD2 3.41Å; H65-D71 PolarHBondContact N-OD2 3.2Å
66	A	97.9	Very high	97.6	Very high	28 Å²	28	39.7 Å²	39.7	23%	0.231	22%	0.219	C	C	.	.			trans	-60.7	129.9	-178.9	0	0	0	0	0	111.6	L47 V54 A63 D71	L47-A66 HydrophobicContact CD2-CB 4.01Å; V54-A66 HydrophobicContact CB-CB 4.44Å; V54-A66 HydrophobicContact CG1-CB 3.61Å; V54-A66 HydrophobicContact CG2-CB 4.06Å; A63-A66 HydrophobicContact CB-CB 4.3Å; A63-A66 WeakPolarHBondContact O-CB 3.33Å; A66-D71 HydrophobicContact CB-CB 4.13Å; A66-D71 PolarHBondContact N-OD2 2.76Å
67	G	98.3	Very high	97.7	Very high	10 Å²	10	34.6 Å²	34.6	10%	0.103	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-132.5	-169.6	176.1	0	0	0	0	0	112.6	Y45 H65 Y69 G70 N352	Y45-G67 WeakPolarHBondContact CE1-O 3.18Å; Y45-G67 PolarHBondContact OH-N 3.48Å; Y45-G67 PolarHBondContact OH-O 2.91Å; H65-G67 PolarHBondContact O-N 2.8Å; G67-Y69 PolarHBondContact O-N 3.29Å; G67-G70 PolarHBondContact N-O 3.49Å; G67-G70 VanDerWaalsContact N-O 3.11Å; G67-G70 PolarHBondContact O-N 2.89Å; G67-N352 VanDerWaalsContact C-OD1 3.27Å; G67-N352 VanDerWaalsContact CA-CG 3.49Å; G67-N352 WeakPolarHBondContact CA-OD1 3.27Å
68	L	98.2	Very high	97.7	Very high	83 Å²	83	38.1 Å²	38.1	44%	0.435	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59	-30.8	-176	179.1	60.4	0	0	0	113	S79 N352	L68-S79 PolarHBondContact O-OG 2.8Å; L68-N352 PolarHBondContact N-OD1 3.03Å
69	Y	98.6	Very high	97.8	Very high	25 Å²	25	39.2 Å²	39.2	10%	0.098	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	4.4	-173.6	-58.8	-71.6	0	0	0	113.6	G67 L80 L348 A351 N352 S357	G67-Y69 PolarHBondContact O-N 3.29Å; Y69-L80 WeakPolarHBondContact O-CB 3.23Å; Y69-L80 WeakPolarHBondContact O-CD2 3.32Å; Y69-L348 WeakPolarHBondContact O-CD1 3.48Å; Y69-A351 HydrophobicContact CD2-CB 3.78Å; Y69-A351 HydrophobicContact CE2-CB 4.32Å; Y69-A351 HydrophobicContact CG-CB 4.42Å; Y69-N352 PolarHBondContact N-OD1 3.35Å; Y69-S357 PolarHBondContact OH-N 3.31Å
70	G	98.6	Very high	97.9	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	128.2	-170.3	174.9	0	0	0	0	0	113.9	Y45 G67 N352	Y45-G70 VanDerWaalsContact OH-CA 3.25Å; Y45-G70 WeakPolarHBondContact OH-CA 3.39Å; Y45-G70 PolarHBondContact OH-O 3.01Å; G67-G70 PolarHBondContact N-O 3.49Å; G67-G70 VanDerWaalsContact N-O 3.11Å; G67-G70 PolarHBondContact O-N 2.89Å; G70-N352 PolarHBondContact O-ND2 2.89Å
71	D	98.7	Very high	98.1	Very high	9 Å²	9	30.8 Å²	30.8	5%	0.048	17%	0.17	C	C	.	.			trans	-145	150.6	172	-173.2	-82.4	0	0	0	107.3	A63 H65 A66 L73 C74	A63-D71 HydrophobicContact CB-CB 4.05Å; H65-D71 WeakPolarHBondContact CA-OD2 3.41Å; H65-D71 PolarHBondContact N-OD2 3.2Å; A66-D71 HydrophobicContact CB-CB 4.13Å; A66-D71 PolarHBondContact N-OD2 2.76Å; D71-L73 PolarHBondContact O-N 2.95Å; D71-L73 VanDerWaalsContact O-N 3.15Å; D71-L73 WeakPolarHBondContact OD1-CB 3.41Å; D71-L73 PolarHBondContact OD1-N 3.46Å; D71-C74 HydrophobicContact CB-CB 4.23Å; D71-C74 PolarHBondContact O-N 2.78Å; D71-C74 VanDerWaalsContact O-O 3.06Å
72	F	98.4	Very high	98.2	Very high	29 Å²	29	33.5 Å²	33.5	13%	0.127	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-10.4	178.5	-66.1	-72.8	0	0	0	113.7	P312 I313 K314 L348 Y405	F72-P312 HydrophobicContact CD1-CB 3.75Å; F72-P312 HydrophobicContact CE1-CB 4.02Å; F72-I313 CarbonylContact O-C 3.49Å; F72-I313 WeakPolarHBondContact O-CA 3.12Å; F72-K314 VanDerWaalsContact O-CG 3.31Å; F72-K314 WeakPolarHBondContact O-CG 3.48Å; F72-K314 PolarHBondContact O-N 3.36Å; F72-L348 HydrophobicContact CD1-CD2 4.03Å; F72-L348 HydrophobicContact CD2-CD2 4.29Å; F72-L348 HydrophobicContact CE1-CB 4.23Å; F72-L348 HydrophobicContact CE1-CD2 3.8Å; F72-L348 HydrophobicContact CE2-CB 4.37Å; F72-L348 HydrophobicContact CE2-CD2 4.09Å; F72-L348 HydrophobicContact CE2-CG 4.5Å; F72-L348 HydrophobicContact CG-CD2 4.27Å; F72-L348 HydrophobicContact CZ-CB 3.77Å; F72-L348 HydrophobicContact CZ-CD2 3.85Å; F72-L348 HydrophobicContact CZ-CG 4.26Å; F72-Y405 AromaticContact CD1-CD2 3.96Å; F72-Y405 HydrophobicContact CD1-CD2 3.96Å; F72-Y405 AromaticContact CD1-CE2 3.59Å; F72-Y405 HydrophobicContact CD1-CE2 3.59Å; F72-Y405 AromaticContact CD2-CE2 3.82Å; F72-Y405 HydrophobicContact CD2-CE2 3.82Å; F72-Y405 AromaticContact CE1-CD2 3.42Å; F72-Y405 HydrophobicContact CE1-CD2 3.42Å; F72-Y405 VanDerWaalsContact CE1-CD2 3.42Å; F72-Y405 AromaticContact CE1-CE2 3.44Å; F72-Y405 HydrophobicContact CE1-CE2 3.44Å; F72-Y405 VanDerWaalsContact CE1-CE2 3.44Å; F72-Y405 HydrophobicContact CE2-CD2 4.23Å; F72-Y405 AromaticContact CE2-CE2 3.66Å; F72-Y405 HydrophobicContact CE2-CE2 3.66Å; F72-Y405 AromaticContact CG-CE2 3.78Å; F72-Y405 HydrophobicContact CG-CE2 3.78Å; F72-Y405 AromaticContact CZ-CD2 3.56Å; F72-Y405 HydrophobicContact CZ-CD2 3.56Å; F72-Y405 AromaticContact CZ-CE2 3.46Å; F72-Y405 HydrophobicContact CZ-CE2 3.46Å; F72-Y405 VanDerWaalsContact CZ-CE2 3.46Å
73	L	98.3	Very high	98.3	Very high	23 Å²	23	31.4 Å²	31.4	12%	0.12	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	0.4	171.3	-61.8	179.9	0	0	0	113.4	S58 A61 D71 K314 F316	S58-L73 VanDerWaalsContact CA-O 3.29Å; S58-L73 WeakPolarHBondContact CA-O 3.39Å; A61-L73 HydrophobicContact CB-CD1 4.3Å; D71-L73 PolarHBondContact O-N 2.95Å; D71-L73 VanDerWaalsContact O-N 3.15Å; D71-L73 WeakPolarHBondContact OD1-CB 3.41Å; D71-L73 PolarHBondContact OD1-N 3.46Å; L73-K314 HydrophobicContact CD2-CG 4.42Å; L73-F316 HydrophobicContact CD1-CD2 4.41Å
74	C	98.7	Very high	98.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	S	Bend	trans	-116.1	151.1	179.6	-64.6	0	0	0	0	110.9	Y45 C55 S57 D71 I313	Y45-C74 HydrophobicContact CD2-CB 3.88Å; Y45-C74 HydrophobicContact CE2-CB 3.81Å; C55-C74 HydrophobicContact CB-CB 3.75Å; C55-C74 WeakPolarHBondContact CB-SG 3.35Å; C55-C74 VanDerWaalsContact SG-CA 3.51Å; C55-C74 WeakPolarHBondContact SG-CB 3.44Å; C55-C74 CovalentContact SG-SG 2.03Å; C55-C74 PolarHBondContact SG-SG 2.97Å; S57-C74 WeakPolarHBondContact OG-CA 3.34Å; D71-C74 HydrophobicContact CB-CB 4.23Å; D71-C74 PolarHBondContact O-N 2.78Å; D71-C74 VanDerWaalsContact O-O 3.06Å; C74-I313 WeakPolarHBondContact O-CB 3.35Å
75	D	98.8	Very high	98.5	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.138	C	C	.	.	P	Polyproline II helix	trans	-70	169.1	160.3	-89.4	-42.2	0	0	0	112	H40 D42 S57 P77 P106 H107 T311 I313	H40-D75 HydrophobicContact CB-CB 4.17Å; H40-D75 WeakPolarHBondContact CB-OD1 3.34Å; H40-D75 IonicContact CG-OD1 2.65Å; H40-D75 WeakPolarHBondContact O-CB 3.36Å; D42-D75 HydrophobicContact CB-CB 3.79Å; S57-D75 WeakPolarHBondContact CB-OD2 3.31Å; S57-D75 PolarHBondContact OG-N 3.08Å; D75-P77 WeakPolarHBondContact O-CD 3.04Å; D75-P106 HydrophobicContact CB-CB 4.21Å; D75-P106 WeakPolarHBondContact OD2-CA 3.45Å; D75-H107 IonicContact OD1-CE1 3.14Å; D75-H107 IonicContact OD1-ND1 2.69Å; D75-H107 PolarHBondContact OD1-ND1 3Å; D75-H107 VanDerWaalsContact OD1-ND1 3.13Å; D75-H107 WeakPolarHBondContact OD2-CB 3.42Å; D75-H107 IonicContact OD2-CG 3.48Å; D75-H107 PolarHBondContact OD2-N 3.1Å; D75-H107 IonicContact OD2-ND1 3.36Å; D75-H107 PolarHBondContact OD2-ND1 2.91Å; D75-T311 WeakPolarHBondContact CA-OG1 3.49Å; D75-T311 PolarHBondContact OD1-OG1 3.45Å; D75-I313 HydrophobicContact CB-CD1 4.37Å; D75-I313 VanDerWaalsContact OD1-CG2 3.23Å; D75-I313 WeakPolarHBondContact OD1-CG2 3.26Å
76	S	98.9	Very high	98.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	B	Isolated β-bridge	trans	-61.9	124.3	-170.3	-60	0	0	0	0	112.3	L39 H40 D42 T311	L39-S76 WeakPolarHBondContact O-CB 3.26Å; L39-S76 PolarHBondContact O-OG 2.66Å; H40-S76 WeakPolarHBondContact O-CB 3.41Å; H40-S76 PolarHBondContact O-N 3.07Å; D42-S76 PolarHBondContact N-O 3.32Å; S76-T311 WeakPolarHBondContact OG-CA 3.48Å; S76-T311 WeakPolarHBondContact OG-CB 3.47Å; S76-T311 PolarHBondContact OG-N 3.16Å
77	P	98.9	Very high	98.6	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.032	13%	0.128	C	C	.	.	P	Polyproline II helix	trans	-65.3	155.1	158.5	27.3	-31.8	0	0	0	110.3	Y45 D75 S79 L80 I81	Y45-P77 HydrophobicContact CD1-CB 3.51Å; Y45-P77 HydrophobicContact CD1-CG 4.1Å; Y45-P77 HydrophobicContact CD2-CB 4.29Å; Y45-P77 HydrophobicContact CD2-CG 4.46Å; Y45-P77 HydrophobicContact CE1-CB 4.01Å; Y45-P77 HydrophobicContact CE1-CG 4.13Å; Y45-P77 HydrophobicContact CG-CB 3.66Å; Y45-P77 HydrophobicContact CG-CG 4.26Å; D75-P77 WeakPolarHBondContact O-CD 3.04Å; P77-S79 WeakPolarHBondContact CB-OG 3.44Å; P77-S79 PolarHBondContact O-N 3.46Å; P77-S79 VanDerWaalsContact O-N 3.14Å; P77-L80 HydrophobicContact CG-CB 4.02Å; P77-L80 WeakPolarHBondContact O-CB 3.44Å; P77-L80 PolarHBondContact O-N 3.14Å; P77-I81 PolarHBondContact O-N 3.2Å
78	Y	98.8	Very high	98.6	Very high	77 Å²	77	23.9 Å²	23.9	30%	0.302	12%	0.124	S	C	.	.	H	α-helix	trans	-58.2	-31.5	177.8	-170.5	-131.3	0	0	0	113.1	L41 L80 I81 Q82 M125 T128	L41-Y78 HydrophobicContact CD1-CD2 4.19Å; L41-Y78 HydrophobicContact CD1-CG 4.44Å; Y78-L80 VanDerWaalsContact C-N 3.32Å; Y78-L80 PolarHBondContact O-N 3.09Å; Y78-I81 PolarHBondContact O-N 3.3Å; Y78-Q82 HydrophobicContact CD1-CG 4.29Å; Y78-Q82 HydrophobicContact CD2-CG 4.49Å; Y78-Q82 HydrophobicContact CE1-CG 4.07Å; Y78-Q82 HydrophobicContact CE2-CG 4.2Å; Y78-Q82 HydrophobicContact CG-CG 4.5Å; Y78-Q82 VanDerWaalsContact CZ-NE2 3.3Å; Y78-Q82 WeakPolarHBondContact O-CB 3.42Å; Y78-Q82 WeakPolarHBondContact O-CG 3.45Å; Y78-Q82 PolarHBondContact O-N 3.11Å; Y78-Q82 PolarHBondContact OH-NE2 3.49Å; Y78-M125 HydrophobicContact CD2-CE 4.21Å; Y78-M125 HydrophobicContact CE2-CE 4.06Å; Y78-T128 HydrophobicContact CE2-CG2 3.95Å; Y78-T128 WeakPolarHBondContact CE2-OG1 3.3Å; Y78-T128 PolarHBondContact OH-OG1 2.97Å; Y78-T128 VanDerWaalsContact OH-OG1 3.11Å
79	S	98.7	Very high	98.6	Very high	35 Å²	35	21.7 Å²	21.7	25%	0.245	12%	0.117	C	C	.	.	H	α-helix	trans	-59.2	-37.2	174.1	47.6	0	0	0	0	113.2	L68 P77 S83	L68-S79 PolarHBondContact O-OG 2.8Å; P77-S79 WeakPolarHBondContact CB-OG 3.44Å; P77-S79 PolarHBondContact O-N 3.46Å; P77-S79 VanDerWaalsContact O-N 3.14Å; S79-S83 WeakPolarHBondContact O-CB 3.35Å; S79-S83 PolarHBondContact O-N 2.96Å
80	L	98.9	Very high	98.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-66.2	-50.5	177	177.9	59.5	0	0	0	110.6	Y69 P77 Y78 Q82 S83 A84 V310 P312 P324 L346 W359	Y69-L80 WeakPolarHBondContact O-CB 3.23Å; Y69-L80 WeakPolarHBondContact O-CD2 3.32Å; P77-L80 HydrophobicContact CG-CB 4.02Å; P77-L80 WeakPolarHBondContact O-CB 3.44Å; P77-L80 PolarHBondContact O-N 3.14Å; Y78-L80 VanDerWaalsContact C-N 3.32Å; Y78-L80 PolarHBondContact O-N 3.09Å; L80-Q82 PolarHBondContact O-N 3.27Å; L80-S83 WeakPolarHBondContact O-CB 3.17Å; L80-S83 PolarHBondContact O-N 2.68Å; L80-S83 VanDerWaalsContact O-N 3.09Å; L80-S83 PolarHBondContact O-OG 3.31Å; L80-A84 PolarHBondContact O-N 2.76Å; L80-V310 HydrophobicContact CD2-CG1 4.34Å; L80-V310 WeakPolarHBondContact CD2-O 3.33Å; L80-V310 HydrophobicContact CG-CG1 4.16Å; L80-P312 HydrophobicContact CD2-CG 4.47Å; L80-P324 HydrophobicContact CD1-CB 3.95Å; L80-P324 HydrophobicContact CD1-CG 3.82Å; L80-P324 HydrophobicContact CD2-CB 4.23Å; L80-P324 HydrophobicContact CD2-CG 3.79Å; L80-P324 HydrophobicContact CG-CG 4.39Å; L80-L346 HydrophobicContact CD1-CD2 3.64Å; L80-W359 HydrophobicContact CD1-CZ2 4.05Å
81	I	98.9	Very high	98.3	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-60.5	-45.3	179.7	-62.5	171.1	0	0	0	110.5	L39 L41 P77 Y78 S83 A84 F85 M125 V310	L39-I81 HydrophobicContact CB-CD1 4.16Å; L41-I81 HydrophobicContact CB-CD1 3.88Å; L41-I81 HydrophobicContact CD1-CD1 4.15Å; P77-I81 PolarHBondContact O-N 3.2Å; Y78-I81 PolarHBondContact O-N 3.3Å; I81-S83 VanDerWaalsContact C-N 3.31Å; I81-S83 PolarHBondContact O-N 2.85Å; I81-A84 WeakPolarHBondContact O-CB 3.46Å; I81-A84 PolarHBondContact O-N 3.49Å; I81-F85 HydrophobicContact CG2-CD2 3.93Å; I81-F85 HydrophobicContact CG2-CE2 3.38Å; I81-F85 HydrophobicContact CG2-CZ 3.89Å; I81-F85 PolarHBondContact O-N 3.3Å; I81-F85 VanDerWaalsContact O-N 3.15Å; I81-M125 HydrophobicContact CD1-CE 4.45Å; I81-M125 HydrophobicContact CD1-SD 3.79Å; I81-M125 HydrophobicContact CG2-SD 4.13Å; I81-V310 HydrophobicContact CG1-CG1 4.34Å
82	Q	98.8	Very high	98.2	Very high	76 Å²	76	29 Å²	29	36%	0.355	16%	0.164	S	C	.	.	H	α-helix	trans	-59.7	-41.5	174.4	-77.1	-164.1	2.8	0	0	112.3	Y78 L80 A84 F85 T86	Y78-Q82 HydrophobicContact CD1-CG 4.29Å; Y78-Q82 HydrophobicContact CD2-CG 4.49Å; Y78-Q82 HydrophobicContact CE1-CG 4.07Å; Y78-Q82 HydrophobicContact CE2-CG 4.2Å; Y78-Q82 HydrophobicContact CG-CG 4.5Å; Y78-Q82 VanDerWaalsContact CZ-NE2 3.3Å; Y78-Q82 WeakPolarHBondContact O-CB 3.42Å; Y78-Q82 WeakPolarHBondContact O-CG 3.45Å; Y78-Q82 PolarHBondContact O-N 3.11Å; Y78-Q82 PolarHBondContact OH-NE2 3.49Å; L80-Q82 PolarHBondContact O-N 3.27Å; Q82-A84 VanDerWaalsContact C-N 3.31Å; Q82-A84 PolarHBondContact O-N 3.21Å; Q82-F85 PolarHBondContact O-N 3.45Å; Q82-T86 VanDerWaalsContact O-CB 3.26Å; Q82-T86 WeakPolarHBondContact O-CB 3.25Å; Q82-T86 PolarHBondContact O-N 3.04Å; Q82-T86 PolarHBondContact O-OG1 3.24Å
83	S	98.8	Very high	98	Very high	10 Å²	10	30.9 Å²	30.9	7%	0.07	17%	0.173	C	C	.	.	H	α-helix	trans	-63.9	-38	179.8	79.9	0	0	0	0	112.2	S79 L80 I81 N87 S357 W359	S79-S83 WeakPolarHBondContact O-CB 3.35Å; S79-S83 PolarHBondContact O-N 2.96Å; L80-S83 WeakPolarHBondContact O-CB 3.17Å; L80-S83 PolarHBondContact O-N 2.68Å; L80-S83 VanDerWaalsContact O-N 3.09Å; L80-S83 PolarHBondContact O-OG 3.31Å; I81-S83 VanDerWaalsContact C-N 3.31Å; I81-S83 PolarHBondContact O-N 2.85Å; S83-N87 WeakPolarHBondContact O-CB 3.41Å; S83-N87 PolarHBondContact O-N 3.03Å; S83-S357 WeakPolarHBondContact CB-OG 3.47Å; S83-W359 PolarHBondContact O-NE1 3.13Å; S83-W359 PolarHBondContact OG-NE1 2.81Å
84	A	98.8	Very high	97.8	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	20%	0.2	C	C	.	.	H	α-helix	trans	-61.1	-53.8	175.4	0	0	0	0	0	110.5	L80 I81 Q82 T86 N87 M88 F326 W359	L80-A84 PolarHBondContact O-N 2.76Å; I81-A84 WeakPolarHBondContact O-CB 3.46Å; I81-A84 PolarHBondContact O-N 3.49Å; Q82-A84 VanDerWaalsContact C-N 3.31Å; Q82-A84 PolarHBondContact O-N 3.21Å; A84-T86 VanDerWaalsContact C-N 3.34Å; A84-T86 PolarHBondContact O-N 3.15Å; A84-N87 PolarHBondContact O-N 3.25Å; A84-N87 VanDerWaalsContact O-N 3.15Å; A84-M88 VanDerWaalsContact O-CG 3.28Å; A84-M88 WeakPolarHBondContact O-CG 3.4Å; A84-M88 PolarHBondContact O-N 3.18Å; A84-F326 HydrophobicContact CB-CD1 4.05Å; A84-F326 HydrophobicContact CB-CE1 4.06Å; A84-W359 HydrophobicContact CB-CH2 3.9Å; A84-W359 HydrophobicContact CB-CZ2 3.49Å; A84-W359 VanDerWaalsContact CB-CZ2 3.49Å
85	F	98.7	Very high	97.6	Very high	1 Å²	1	41.6 Å²	41.6	0%	0.004	23%	0.232	C	C	.	.	H	α-helix	trans	-67.3	-33.7	-178.6	-60	-29.6	0	0	0	113.3	I36 L39 I81 Q82 N87 M88 A89 T128 I129 H132 F133	I36-F85 HydrophobicContact CD1-CE1 3.68Å; I36-F85 HydrophobicContact CD1-CZ 3.96Å; I36-F85 HydrophobicContact CG2-CE1 4.35Å; L39-F85 HydrophobicContact CD1-CZ 4.01Å; L39-F85 HydrophobicContact CD2-CZ 4.23Å; I81-F85 HydrophobicContact CG2-CD2 3.93Å; I81-F85 HydrophobicContact CG2-CE2 3.38Å; I81-F85 HydrophobicContact CG2-CZ 3.89Å; I81-F85 PolarHBondContact O-N 3.3Å; I81-F85 VanDerWaalsContact O-N 3.15Å; Q82-F85 PolarHBondContact O-N 3.45Å; F85-N87 VanDerWaalsContact C-N 3.32Å; F85-N87 PolarHBondContact O-N 2.93Å; F85-M88 HydrophobicContact CD1-SD 3.81Å; F85-M88 HydrophobicContact CE1-SD 4.36Å; F85-M88 PolarHBondContact O-N 3.09Å; F85-A89 WeakPolarHBondContact O-CB 3.44Å; F85-A89 PolarHBondContact O-N 3.2Å; F85-T128 HydrophobicContact CD2-CG2 3.73Å; F85-T128 HydrophobicContact CE2-CG2 3.88Å; F85-I129 HydrophobicContact CE1-CG1 4.41Å; F85-I129 HydrophobicContact CE2-CG1 3.79Å; F85-I129 HydrophobicContact CZ-CD1 4.36Å; F85-I129 HydrophobicContact CZ-CG1 3.66Å; F85-H132 HydrophobicContact CB-CB 4.05Å; F85-F133 HydrophobicContact CB-CE2 4.08Å; F85-F133 HydrophobicContact CB-CZ 4.3Å; F85-F133 HydrophobicContact CD1-CE2 4Å; F85-F133 HydrophobicContact CD1-CZ 4.5Å; F85-F133 HydrophobicContact CG-CE2 4.13Å
86	T	98.4	Very high	97.5	Very high	83 Å²	83	42 Å²	42	51%	0.509	24%	0.235	S	C	.	.	H	α-helix	trans	-63.7	-38.5	173.3	-61.9	0	0	0	0	111.4	Q82 A84 P90	Q82-T86 VanDerWaalsContact O-CB 3.26Å; Q82-T86 WeakPolarHBondContact O-CB 3.25Å; Q82-T86 PolarHBondContact O-N 3.04Å; Q82-T86 PolarHBondContact O-OG1 3.24Å; A84-T86 VanDerWaalsContact C-N 3.34Å; A84-T86 PolarHBondContact O-N 3.15Å; T86-P90 WeakPolarHBondContact O-CD 3.46Å
87	N	98	Very high	97.5	Very high	44 Å²	44	42.5 Å²	42.5	24%	0.235	24%	0.236	C	C	.	.	H	α-helix	trans	-72.4	-39.9	175.5	-176.4	-98.5	0	0	0	112.6	S83 A84 F85 P90 W359	S83-N87 WeakPolarHBondContact O-CB 3.41Å; S83-N87 PolarHBondContact O-N 3.03Å; A84-N87 PolarHBondContact O-N 3.25Å; A84-N87 VanDerWaalsContact O-N 3.15Å; F85-N87 VanDerWaalsContact C-N 3.32Å; F85-N87 PolarHBondContact O-N 2.93Å; N87-P90 VanDerWaalsContact O-CD 3.3Å; N87-P90 WeakPolarHBondContact O-CD 3.33Å; N87-P90 WeakPolarHBondContact O-CG 3.48Å; N87-W359 HydrophobicContact CB-CB 3.79Å; N87-W359 HydrophobicContact CB-CG 3.86Å; N87-W359 WeakPolarHBondContact ND2-CB 3.39Å; N87-W359 WeakPolarHBondContact OD1-CB 3.36Å
88	M	97.9	Very high	97.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-63.8	-42.9	177.8	-72.8	170.2	67.9	0	0	112.5	W34 I36 A84 F85 L91 T92 F133 F326	W34-M88 HydrophobicContact CB-CE 3.96Å; W34-M88 HydrophobicContact CD2-CE 3.87Å; W34-M88 HydrophobicContact CE3-CE 4.11Å; W34-M88 HydrophobicContact CG-CE 3.81Å; I36-M88 HydrophobicContact CG2-CE 3.57Å; I36-M88 HydrophobicContact CG2-SD 3.9Å; A84-M88 VanDerWaalsContact O-CG 3.28Å; A84-M88 WeakPolarHBondContact O-CG 3.4Å; A84-M88 PolarHBondContact O-N 3.18Å; F85-M88 HydrophobicContact CD1-SD 3.81Å; F85-M88 HydrophobicContact CE1-SD 4.36Å; F85-M88 PolarHBondContact O-N 3.09Å; M88-L91 WeakPolarHBondContact O-CB 3.46Å; M88-L91 PolarHBondContact O-N 2.91Å; M88-T92 PolarHBondContact O-N 2.97Å; M88-T92 PolarHBondContact O-OG1 3.19Å; M88-F133 HydrophobicContact CB-CE1 4.23Å; M88-F133 HydrophobicContact CB-CZ 3.75Å; M88-F133 HydrophobicContact CE-CZ 4.19Å; M88-F326 HydrophobicContact CG-CD1 4.12Å; M88-F326 HydrophobicContact CG-CD2 3.64Å; M88-F326 HydrophobicContact CG-CE1 3.77Å; M88-F326 HydrophobicContact CG-CE2 3.28Å; M88-F326 HydrophobicContact CG-CG 4.07Å; M88-F326 HydrophobicContact CG-CZ 3.36Å; M88-F326 HydrophobicContact SD-CB 4.4Å; M88-F326 HydrophobicContact SD-CD1 3.97Å; M88-F326 HydrophobicContact SD-CD2 3.88Å; M88-F326 HydrophobicContact SD-CE1 4.19Å; M88-F326 HydrophobicContact SD-CE2 4.14Å; M88-F326 HydrophobicContact SD-CG 3.82Å; M88-F326 HydrophobicContact SD-CZ 4.29Å
89	A	97.3	Very high	97.5	Very high	36 Å²	36	38.6 Å²	38.6	30%	0.298	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-47.6	-52.5	-174.1	0	0	0	0	0	115.8	F85 L91 T92 F133	F85-A89 WeakPolarHBondContact O-CB 3.44Å; F85-A89 PolarHBondContact O-N 3.2Å; A89-L91 PolarHBondContact O-N 3.1Å; A89-T92 PolarHBondContact O-N 2.91Å; A89-F133 HydrophobicContact CB-CE1 4.21Å
90	P	96.3	Very high	97.5	Very high	105 Å²	105	37 Å²	37	68%	0.682	21%	0.209	S	C	*	.	G	3₁₀ helix	trans	-69.3	-16	179	27.9	-37	0	0	0	114.5	T86 N87	T86-P90 WeakPolarHBondContact O-CD 3.46Å; N87-P90 VanDerWaalsContact O-CD 3.3Å; N87-P90 WeakPolarHBondContact O-CD 3.33Å; N87-P90 WeakPolarHBondContact O-CG 3.48Å
91	L	95.5	Very high	97.5	Very high	56 Å²	56	37 Å²	37	29%	0.293	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-88.5	-17.7	178.5	-58.4	176.2	0	0	0	112.4	R32 W34 M88 A89 Y344	R32-L91 PolarHBondContact NH2-O 3.32Å; W34-L91 HydrophobicContact CH2-CB 4.13Å; W34-L91 HydrophobicContact CH2-CD1 4.14Å; W34-L91 HydrophobicContact CZ2-CB 3.74Å; M88-L91 WeakPolarHBondContact O-CB 3.46Å; M88-L91 PolarHBondContact O-N 2.91Å; A89-L91 PolarHBondContact O-N 3.1Å; L91-Y344 HydrophobicContact CD1-CD1 4.48Å; L91-Y344 HydrophobicContact CD1-CE1 3.76Å
92	T	96.3	Very high	97.5	Very high	27 Å²	27	37 Å²	37	17%	0.166	21%	0.209	C	C	.	.			trans	-82.3	136.6	-175.1	-52.1	0	0	0	0	112.4	W34 M88 A89 D96 L136	W34-T92 PolarHBondContact NE1-OG1 3.45Å; M88-T92 PolarHBondContact O-N 2.97Å; M88-T92 PolarHBondContact O-OG1 3.19Å; A89-T92 PolarHBondContact O-N 2.91Å; T92-D96 HydrophobicContact CG2-CB 4.05Å; T92-L136 HydrophobicContact CG2-CD1 3.27Å; T92-L136 HydrophobicContact CG2-CD2 4.27Å; T92-L136 HydrophobicContact CG2-CG 4.35Å
93	Q	95.3	Very high	97.5	Very high	68 Å²	68	33.4 Å²	33.4	32%	0.318	19%	0.192	S	C	.	.			trans	-100.7	155.9	174.5	-76.8	168.9	17.7	0	0	111.4	Y26 R32 E95 D96	Y26-Q93 PolarHBondContact OH-NE2 3.18Å; R32-Q93 VanDerWaalsContact NH2-CB 3.27Å; Q93-E95 PolarHBondContact O-N 2.63Å; Q93-D96 PolarHBondContact N-OD2 3.01Å; Q93-D96 WeakPolarHBondContact O-CB 3.43Å; Q93-D96 PolarHBondContact O-N 3.37Å; Q93-D96 VanDerWaalsContact O-N 3.14Å
94	P	93.7	Very high	97.5	Very high	105 Å²	105	32.9 Å²	32.9	68%	0.682	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-30.1	178.6	-25.9	35.7	0	0	0	114.8
95	E	93.3	Very high	97.5	Very high	143 Å²	143	32.9 Å²	32.9	67%	0.668	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-6.9	-178.3	-57.8	75.1	-163.6	0	0	113.8	Q93	Q93-E95 PolarHBondContact O-N 2.63Å
96	D	97.4	Very high	97.5	Very high	10 Å²	10	33 Å²	33	5%	0.053	19%	0.19	C	C	.	.			trans	-70.4	164.2	176.2	-61	-20.7	0	0	0	110.4	R32 T92 Q93 L136	R32-D96 WeakPolarHBondContact CB-OD1 3.35Å; R32-D96 IonicContact CZ-OD1 3.64Å; R32-D96 IonicContact CZ-OD2 3.54Å; R32-D96 IonicContact NE-OD1 3.08Å; R32-D96 PolarHBondContact NE-OD1 2.69Å; R32-D96 VanDerWaalsContact NE-OD1 3.08Å; R32-D96 IonicContact NE-OD2 3.72Å; R32-D96 IonicContact NH2-OD1 2.79Å; R32-D96 PolarHBondContact NH2-OD1 2.89Å; R32-D96 IonicContact NH2-OD2 3.32Å; R32-D96 PolarHBondContact NH2-OD2 2.98Å; T92-D96 HydrophobicContact CG2-CB 4.05Å; Q93-D96 PolarHBondContact N-OD2 3.01Å; Q93-D96 WeakPolarHBondContact O-CB 3.43Å; Q93-D96 PolarHBondContact O-N 3.37Å; Q93-D96 VanDerWaalsContact O-N 3.14Å; D96-L136 WeakPolarHBondContact O-CD2 3.48Å
97	F	98.8	Very high	97.5	Very high	9 Å²	9	30.8 Å²	30.8	4%	0.039	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	169.9	165.1	61.6	-89.7	0	0	0	109.7	F33 W34 I99 F139 V190 Y239 Y331	F33-F97 CarbonylContact C-O 3.39Å; F33-F97 VanDerWaalsContact CA-O 3.24Å; F33-F97 WeakPolarHBondContact CA-O 3.11Å; F33-F97 HydrophobicContact CB-CD1 3.82Å; F33-F97 HydrophobicContact CB-CD2 3.58Å; F33-F97 HydrophobicContact CB-CE1 3.62Å; F33-F97 HydrophobicContact CB-CE2 3.36Å; F33-F97 HydrophobicContact CB-CG 3.81Å; F33-F97 HydrophobicContact CB-CZ 3.38Å; F33-F97 VanDerWaalsContact CB-O 3.3Å; F33-F97 WeakPolarHBondContact CB-O 3.46Å; F33-F97 HydrophobicContact CD1-CE1 4.12Å; F33-F97 HydrophobicContact CD1-CE2 4.05Å; F33-F97 AromaticContact CD1-CZ 3.52Å; F33-F97 HydrophobicContact CD1-CZ 3.52Å; F33-F97 AromaticContact CD2-CE2 3.93Å; F33-F97 HydrophobicContact CD2-CE2 3.93Å; F33-F97 HydrophobicContact CD2-CZ 4.26Å; F33-F97 HydrophobicContact CE1-CZ 4.36Å; F33-F97 HydrophobicContact CG-CD2 4.22Å; F33-F97 HydrophobicContact CG-CE1 4.13Å; F33-F97 AromaticContact CG-CE2 3.52Å; F33-F97 HydrophobicContact CG-CE2 3.52Å; F33-F97 AromaticContact CG-CZ 3.47Å; F33-F97 HydrophobicContact CG-CZ 3.47Å; F33-F97 VanDerWaalsContact CG-CZ 3.47Å; W34-F97 PolarHBondContact N-O 3.06Å; F97-I99 HydrophobicContact CD2-CG2 4.12Å; F97-I99 HydrophobicContact CE2-CG2 3.84Å; F97-F139 HydrophobicContact CB-CD2 4.42Å; F97-F139 HydrophobicContact CB-CE2 4.01Å; F97-F139 AromaticContact CD2-CD2 3.76Å; F97-F139 HydrophobicContact CD2-CD2 3.76Å; F97-F139 AromaticContact CD2-CE2 3.87Å; F97-F139 HydrophobicContact CD2-CE2 3.87Å; F97-F139 HydrophobicContact CE2-CD2 4.44Å; F97-F139 HydrophobicContact CG-CD2 4.37Å; F97-F139 HydrophobicContact CG-CE2 4.05Å; F97-V190 HydrophobicContact CD1-CG1 3.85Å; F97-V190 HydrophobicContact CE1-CG1 3.85Å; F97-V190 HydrophobicContact CG-CG1 4.22Å; F97-V190 HydrophobicContact CZ-CG1 4.22Å; F97-Y239 HydrophobicContact CZ-CD2 4.34Å; F97-Y239 HydrophobicContact CZ-CE2 4.24Å; F97-Y331 HydrophobicContact CE1-CE1 4.05Å
98	I	98.9	Very high	97.4	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	134.7	177.5	-53.8	179.5	0	0	0	108.6	W34 I36 F133 L136 T137 V138 F139	W34-I98 HydrophobicContact CB-CG1 4.2Å; W34-I98 HydrophobicContact CB-CG2 4.34Å; W34-I98 CarbonylContact O-C 3.6Å; W34-I98 WeakPolarHBondContact O-CA 3.42Å; I36-I98 HydrophobicContact CD1-CG2 4.06Å; I36-I98 HydrophobicContact CG1-CG2 3.93Å; I98-F133 HydrophobicContact CD1-CB 4.17Å; I98-F133 HydrophobicContact CD1-CD1 4.27Å; I98-F133 HydrophobicContact CD1-CD2 3.64Å; I98-F133 HydrophobicContact CD1-CE2 4.07Å; I98-F133 HydrophobicContact CD1-CG 3.76Å; I98-L136 HydrophobicContact CD1-CD1 3.99Å; I98-L136 HydrophobicContact CG1-CD1 4.12Å; I98-T137 PolarHBondContact N-O 3.33Å; I98-T137 VanDerWaalsContact N-O 3.1Å; I98-V138 HydrophobicContact CB-CB 4.46Å; I98-V138 HydrophobicContact CB-CG1 4.17Å; I98-V138 HydrophobicContact CB-CG2 4.14Å; I98-V138 HydrophobicContact CD1-CG2 4.33Å; I98-V138 HydrophobicContact CG2-CG1 4.19Å; I98-V138 CarbonylContact O-C 3.55Å; I98-V138 VanDerWaalsContact O-CA 3.32Å; I98-V138 WeakPolarHBondContact O-CA 3.36Å; I98-F139 PolarHBondContact O-N 2.85Å
99	I	98.9	Very high	97.3	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	135.1	159.9	67.9	172.2	0	0	0	108.6	F33 W34 H35 I36 F97 F139 L196 I241 F281	F33-I99 HydrophobicContact CD2-CD1 4.28Å; F33-I99 HydrophobicContact CD2-CG1 4.21Å; F33-I99 HydrophobicContact CD2-CG2 4.29Å; F33-I99 HydrophobicContact CE2-CD1 3.8Å; F33-I99 HydrophobicContact CE2-CG1 4.23Å; W34-I99 WeakPolarHBondContact O-CG1 3.29Å; W34-I99 PolarHBondContact O-N 3.3Å; H35-I99 WeakPolarHBondContact CA-O 3.14Å; H35-I99 HydrophobicContact CB-CD1 3.82Å; H35-I99 HydrophobicContact CB-CG1 3.58Å; I36-I99 PolarHBondContact N-O 2.89Å; F97-I99 HydrophobicContact CD2-CG2 4.12Å; F97-I99 HydrophobicContact CE2-CG2 3.84Å; I99-F139 WeakPolarHBondContact CA-O 3.36Å; I99-F139 HydrophobicContact CG2-CB 4.41Å; I99-L196 HydrophobicContact CG2-CD1 3.8Å; I99-I241 HydrophobicContact CB-CD1 4.49Å; I99-I241 HydrophobicContact CB-CG2 4.13Å; I99-I241 HydrophobicContact CD1-CG2 3.86Å; I99-I241 HydrophobicContact CG2-CG2 4.03Å; I99-F281 HydrophobicContact CD1-CB 3.46Å; I99-F281 VanDerWaalsContact CD1-CB 3.46Å; I99-F281 HydrophobicContact CD1-CD1 4.33Å; I99-F281 HydrophobicContact CD1-CD2 4.11Å; I99-F281 HydrophobicContact CD1-CG 3.7Å
100	W	98.9	Very high	97	Very high	1 Å²	1	32.6 Å²	32.6	0%	0.004	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	101.7	-179.8	171.5	26.4	0	0	0	110	I36 L39 G102 S104 M125 I129 V138 F139 P140 A141 W168	I36-W100 HydrophobicContact CD1-CB 4.25Å; I36-W100 HydrophobicContact CD1-CG 4.26Å; I36-W100 HydrophobicContact CG1-CB 3.91Å; I36-W100 HydrophobicContact CG1-CG 4.14Å; I36-W100 VanDerWaalsContact O-CA 3.28Å; I36-W100 WeakPolarHBondContact O-CA 3.15Å; L39-W100 HydrophobicContact CD1-CZ2 4.42Å; W100-G102 VanDerWaalsContact C-N 3.25Å; W100-G102 PolarHBondContact O-N 3.35Å; W100-G102 VanDerWaalsContact O-N 3.16Å; W100-S104 WeakPolarHBondContact CZ2-OG 3.46Å; W100-M125 HydrophobicContact CH2-CB 3.73Å; W100-M125 HydrophobicContact CZ2-CB 3.79Å; W100-I129 HydrophobicContact CD2-CD1 3.78Å; W100-I129 HydrophobicContact CE3-CD1 3.59Å; W100-I129 HydrophobicContact CG-CD1 4.36Å; W100-I129 HydrophobicContact CH2-CD1 4.3Å; W100-I129 HydrophobicContact CZ2-CD1 4.44Å; W100-I129 HydrophobicContact CZ3-CD1 3.87Å; W100-V138 HydrophobicContact CB-CG1 3.96Å; W100-F139 PolarHBondContact N-O 3.12Å; W100-P140 HydrophobicContact CD2-CB 4.48Å; W100-P140 HydrophobicContact CE3-CB 3.94Å; W100-P140 CarbonylContact O-C 3.6Å; W100-P140 WeakPolarHBondContact O-CA 3.35Å; W100-A141 PolarHBondContact O-N 2.96Å; W100-W168 HydrophobicContact CZ3-CZ2 4.42Å; W100-W168 AromaticContact CZ3-NE1 3.93Å
101	T	98.9	Very high	96.9	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.186	C	C	.	.			trans	-90.2	36.4	-171.4	46	0	0	0	0	114.3	H35 I36 T37 A141 I241 A242 H243	H35-T101 PolarHBondContact NE2-OG1 2.89Å; I36-T101 PolarHBondContact O-N 3.44Å; I36-T101 VanDerWaalsContact O-N 3.12Å; T37-T101 WeakPolarHBondContact CB-OG1 3.48Å; T37-T101 PolarHBondContact OG1-OG1 2.9Å; T101-A141 HydrophobicContact CG2-CB 4.49Å; T101-I241 HydrophobicContact CG2-CB 3.96Å; T101-A242 WeakPolarHBondContact CG2-O 3.14Å; T101-H243 WeakPolarHBondContact O-CB 3.2Å; T101-H243 PolarHBondContact O-ND1 3.14Å
102	G	98.6	Very high	96.9	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.195	C	C	.	.			trans	82.9	-164.6	164.8	0	0	0	0	0	116.1	D38 W100 A141 D146	D38-G102 PolarHBondContact N-O 2.84Å; W100-G102 VanDerWaalsContact C-N 3.25Å; W100-G102 PolarHBondContact O-N 3.35Å; W100-G102 VanDerWaalsContact O-N 3.16Å; G102-A141 WeakPolarHBondContact CA-O 3.34Å; G102-A141 PolarHBondContact N-O 3.39Å; G102-A141 VanDerWaalsContact N-O 3.12Å; G102-D146 WeakPolarHBondContact CA-OD2 3.12Å
103	D	98.8	Very high	96.9	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.005	19%	0.192	C	C	.	.			trans	63.4	78.1	-178.2	-93.4	20.6	0	0	0	114.1	L39 H40 G143 N144 H145 D146 H243	L39-D103 PolarHBondContact N-O 2.71Å; H40-D103 IonicContact CE1-OD2 3.13Å; H40-D103 PolarHBondContact CE1-OD2 3.35Å; H40-D103 PolarHBondContact N-O 3.09Å; H40-D103 WeakPolarHBondContact NE2-CB 3.31Å; H40-D103 IonicContact NE2-OD2 2.83Å; H40-D103 PolarHBondContact NE2-OD2 2.95Å; D103-G143 WeakPolarHBondContact OD1-CA 3.33Å; D103-N144 PolarHBondContact OD1-N 3.03Å; D103-H145 WeakPolarHBondContact OD1-CB 3.41Å; D103-H145 PolarHBondContact OD1-N 3.26Å; D103-H145 IonicContact OD2-CD2 3.71Å; D103-H145 PolarHBondContact OD2-CD2 3.02Å; D103-H145 IonicContact OD2-CG 3.75Å; D103-D146 PolarHBondContact N-OD2 3.43Å; D103-H243 VanDerWaalsContact CB-CE1 3.46Å; D103-H243 WeakPolarHBondContact CB-CE1 3.38Å; D103-H243 VanDerWaalsContact CG-NE2 3.3Å; D103-H243 IonicContact OD1-CE1 3.95Å; D103-H243 IonicContact OD1-NE2 2.61Å; D103-H243 IonicContact OD2-CE1 3.47Å; D103-H243 PolarHBondContact OD2-CE1 3.06Å; D103-H243 IonicContact OD2-NE2 3.44Å; D103-H243 PolarHBondContact OD2-NE2 3.22Å
104	S	98.9	Very high	97	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.			trans	-96.5	-45.6	-178.5	-32.1	0	0	0	0	113.6	H40 L41 W100 V121 D146	H40-S104 CarbonylContact C-O 3.58Å; H40-S104 VanDerWaalsContact CA-O 3.26Å; H40-S104 WeakPolarHBondContact CA-O 3.37Å; L41-S104 PolarHBondContact N-O 2.84Å; W100-S104 WeakPolarHBondContact CZ2-OG 3.46Å; S104-V121 WeakPolarHBondContact O-CG1 3.41Å; S104-D146 WeakPolarHBondContact CB-OD1 3.49Å; S104-D146 PolarHBondContact N-OD1 3.17Å; S104-D146 PolarHBondContact OG-OD1 2.91Å
105	P	98.8	Very high	97.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.168	C	C	.	.	S	Bend	trans	-71.5	158.8	-179.7	-22.9	38.2	0	0	0	113.7	H40 L113 V118 V121 H145 D146	H40-P105 PolarHBondContact ND1-O 3.05Å; P105-L113 HydrophobicContact CB-CD1 4.48Å; P105-V118 HydrophobicContact CB-CG2 4.44Å; P105-V118 HydrophobicContact CG-CB 4.29Å; P105-V118 HydrophobicContact CG-CG1 3.95Å; P105-V118 HydrophobicContact CG-CG2 4.05Å; P105-V121 HydrophobicContact CG-CB 4.36Å; P105-V121 HydrophobicContact CG-CG1 4.39Å; P105-H145 WeakPolarHBondContact CD-O 3.42Å; P105-H145 WeakPolarHBondContact CG-O 3.46Å; P105-D146 WeakPolarHBondContact CD-OD1 3.46Å
106	P	98.6	Very high	97.5	Very high	4 Å²	4	29.6 Å²	29.6	3%	0.026	16%	0.164	C	C	.	.			trans	-80.3	165.6	-177.8	33.2	-32.8	0	0	0	112.8	L41 D42 D75 V108	L41-P106 WeakPolarHBondContact O-CB 3.42Å; L41-P106 WeakPolarHBondContact O-CD 3.39Å; L41-P106 WeakPolarHBondContact O-CG 3.27Å; D42-P106 HydrophobicContact CB-CB 4.15Å; D75-P106 HydrophobicContact CB-CB 4.21Å; D75-P106 WeakPolarHBondContact OD2-CA 3.45Å; P106-V108 VanDerWaalsContact C-N 3.3Å; P106-V108 HydrophobicContact CB-CG1 4.26Å; P106-V108 HydrophobicContact CG-CG1 4.06Å; P106-V108 HydrophobicContact CG-CG2 4.24Å; P106-V108 PolarHBondContact O-N 2.84Å
107	H	98.3	Very high	97.6	Very high	37 Å²	37	32.5 Å²	32.5	17%	0.171	18%	0.179	C	C	.	.	S	Bend	trans	-78.9	70.1	173	-62.7	89.4	0	0	0	111.8	H40 K59 D75 H145 H286 I313	H40-H107 AromaticContact CD2-CE1 3.67Å; H40-H107 AromaticContact CE1-CE1 3.16Å; H40-H107 PolarHBondContact CE1-CE1 3.48Å; H40-H107 AromaticContact CE1-ND1 3.9Å; H40-H107 AromaticContact CE1-NE2 3.59Å; H40-H107 AromaticContact CG-CE1 3.64Å; H40-H107 AromaticContact CG-ND1 3.95Å; H40-H107 AromaticContact ND1-CE1 3.35Å; H40-H107 PolarHBondContact ND1-CE1 3.03Å; H40-H107 AromaticContact ND1-ND1 3.66Å; H40-H107 AromaticContact NE2-CE1 3.34Å; H40-H107 PolarHBondContact NE2-CE1 2.84Å; H40-H107 VanDerWaalsContact NE2-CE1 3.34Å; H40-H107 AromaticContact NE2-NE2 3.91Å; K59-H107 WeakPolarHBondContact CE-O 3.28Å; D75-H107 IonicContact OD1-CE1 3.14Å; D75-H107 IonicContact OD1-ND1 2.69Å; D75-H107 PolarHBondContact OD1-ND1 3Å; D75-H107 VanDerWaalsContact OD1-ND1 3.13Å; D75-H107 WeakPolarHBondContact OD2-CB 3.42Å; D75-H107 IonicContact OD2-CG 3.48Å; D75-H107 PolarHBondContact OD2-N 3.1Å; D75-H107 IonicContact OD2-ND1 3.36Å; D75-H107 PolarHBondContact OD2-ND1 2.91Å; H107-H145 AromaticContact CD2-CE1 3.42Å; H107-H145 PolarHBondContact CD2-CE1 2.94Å; H107-H145 VanDerWaalsContact CD2-CE1 3.42Å; H107-H145 AromaticContact CD2-NE2 3.4Å; H107-H145 PolarHBondContact CD2-NE2 2.62Å; H107-H145 AromaticContact CG-CE1 4Å; H107-H145 AromaticContact NE2-NE2 3.63Å; H107-H286 AromaticContact CE1-CE1 3.76Å; H107-I313 HydrophobicContact CB-CD1 4.13Å
108	V	97.1	Very high	97.6	Very high	6 Å²	6	32.1 Å²	32.1	4%	0.036	18%	0.177	C	C	.	.			trans	-110.9	159.8	175.2	-62.7	0	0	0	0	111	F56 P106 E112 L113	F56-V108 HydrophobicContact CB-CG1 3.79Å; P106-V108 VanDerWaalsContact C-N 3.3Å; P106-V108 HydrophobicContact CB-CG1 4.26Å; P106-V108 HydrophobicContact CG-CG1 4.06Å; P106-V108 HydrophobicContact CG-CG2 4.24Å; P106-V108 PolarHBondContact O-N 2.84Å; V108-E112 HydrophobicContact CB-CB 4.01Å; V108-E112 HydrophobicContact CG2-CB 3.84Å; V108-L113 HydrophobicContact CG2-CD1 3.59Å; V108-L113 HydrophobicContact CG2-CD2 4.02Å; V108-L113 HydrophobicContact CG2-CG 3.44Å; V108-L113 VanDerWaalsContact CG2-CG 3.44Å
109	P	94.4	Very high	97.6	Very high	50 Å²	50	34 Å²	34	33%	0.325	19%	0.187	S	C	.	.			trans	-51	143.8	170	-28.8	38.1	0	0	0	112.3	D111 E112	P109-D111 WeakPolarHBondContact CB-OD1 3.33Å; P109-D111 PolarHBondContact O-N 2.79Å; P109-D111 VanDerWaalsContact O-N 3.07Å; P109-E112 HydrophobicContact CB-CG 4.33Å; P109-E112 WeakPolarHBondContact O-CB 3.39Å; P109-E112 PolarHBondContact O-N 3.19Å
110	P	91.9	Very high	97.6	Very high	61 Å²	61	39.6 Å²	39.6	40%	0.396	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-57.9	-25.8	-175.8	-28.2	35.5	0	0	0	115.2	E112 L113 W148	P110-E112 VanDerWaalsContact C-N 3.27Å; P110-E112 PolarHBondContact O-N 2.98Å; P110-L113 PolarHBondContact O-N 2.99Å; P110-W148 PolarHBondContact O-NE1 3.21Å
111	D	94.3	Very high	97.5	Very high	136 Å²	136	40.1 Å²	40.1	73%	0.727	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-73.4	-14.1	176.6	55.2	-42.6	0	0	0	114	P109 L113	P109-D111 WeakPolarHBondContact CB-OD1 3.33Å; P109-D111 PolarHBondContact O-N 2.79Å; P109-D111 VanDerWaalsContact O-N 3.07Å; D111-L113 VanDerWaalsContact C-N 3.34Å
112	E	94.3	Very high	97.5	Very high	101 Å²	101	40.3 Å²	40.3	47%	0.472	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-88.2	-3.1	171.8	-61.8	-74.2	-177	0	0	112.5	V108 P109 P110	V108-E112 HydrophobicContact CB-CB 4.01Å; V108-E112 HydrophobicContact CG2-CB 3.84Å; P109-E112 HydrophobicContact CB-CG 4.33Å; P109-E112 WeakPolarHBondContact O-CB 3.39Å; P109-E112 PolarHBondContact O-N 3.19Å; P110-E112 VanDerWaalsContact C-N 3.27Å; P110-E112 PolarHBondContact O-N 2.98Å
113	L	97.1	Very high	97.6	Very high	21 Å²	21	41.5 Å²	41.5	11%	0.11	23%	0.226	C	C	.	.			trans	-123.4	169.5	178.8	-70.5	173.7	0	0	0	111.8	P105 V108 P110 D111 L117 W148	P105-L113 HydrophobicContact CB-CD1 4.48Å; V108-L113 HydrophobicContact CG2-CD1 3.59Å; V108-L113 HydrophobicContact CG2-CD2 4.02Å; V108-L113 HydrophobicContact CG2-CG 3.44Å; V108-L113 VanDerWaalsContact CG2-CG 3.44Å; P110-L113 PolarHBondContact O-N 2.99Å; D111-L113 VanDerWaalsContact C-N 3.34Å; L113-L117 HydrophobicContact CD2-CB 4.41Å; L113-W148 VanDerWaalsContact C-NE1 3.34Å; L113-W148 PolarHBondContact O-NE1 3.33Å
114	S	98.2	Very high	97.6	Very high	39 Å²	39	44.2 Å²	44.2	27%	0.273	24%	0.24	S	C	.	.			trans	-151.7	166	171	70.3	0	0	0	0	109.4	D116 L117 V118	S114-D116 PolarHBondContact O-N 3.43Å; S114-L117 PolarHBondContact O-N 2.87Å; S114-L117 WeakPolarHBondContact OG-CG 3.2Å; S114-L117 PolarHBondContact OG-N 3.36Å; S114-V118 WeakPolarHBondContact O-CG2 3.44Å; S114-V118 PolarHBondContact O-N 2.94Å
115	T	98.6	Very high	97.6	Very high	35 Å²	35	44.2 Å²	44.2	22%	0.215	24%	0.24	C	C	.	.	H	α-helix	trans	-51.9	-44.4	172.5	-54.7	0	0	0	0	111.7	V118 I119 D159 I160	T115-V118 PolarHBondContact O-N 3.16Å; T115-I119 HydrophobicContact CG2-CD1 4.01Å; T115-I119 VanDerWaalsContact O-CG1 3.31Å; T115-I119 WeakPolarHBondContact O-CG1 3.46Å; T115-I119 PolarHBondContact O-N 3.09Å; T115-D159 HydrophobicContact CG2-CB 4.25Å; T115-I160 HydrophobicContact CG2-CD1 4.01Å; T115-I160 HydrophobicContact CG2-CG1 4.27Å
116	D	98.5	Very high	97.6	Very high	109 Å²	109	44.5 Å²	44.5	58%	0.583	24%	0.242	S	C	*	.	H	α-helix	trans	-65.2	-41.4	-179.7	-71	-20.4	0	0	0	112.3	S114 I119 Q120	S114-D116 PolarHBondContact O-N 3.43Å; D116-I119 PolarHBondContact O-N 3Å; D116-Q120 WeakPolarHBondContact O-CB 3.24Å; D116-Q120 WeakPolarHBondContact O-CG 3.49Å; D116-Q120 PolarHBondContact O-N 3.19Å
117	L	98.3	Very high	97.6	Very high	72 Å²	72	49.1 Å²	49.1	38%	0.377	26%	0.263	S	S	.	.	H	α-helix	trans	-66.4	-41.3	177.4	-72.6	173.4	0	0	0	111.5	L113 S114 Q120 V121	L113-L117 HydrophobicContact CD2-CB 4.41Å; S114-L117 PolarHBondContact O-N 2.87Å; S114-L117 WeakPolarHBondContact OG-CG 3.2Å; S114-L117 PolarHBondContact OG-N 3.36Å; L117-Q120 WeakPolarHBondContact O-CB 3.3Å; L117-Q120 PolarHBondContact O-N 3.47Å; L117-V121 WeakPolarHBondContact O-CG2 3.43Å; L117-V121 PolarHBondContact O-N 3.3Å
118	V	98.8	Very high	97.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-59.6	-48.3	174	168.4	0	0	0	0	110.6	P105 S114 T115 Q120 V121 I122 W148 I160	P105-V118 HydrophobicContact CB-CG2 4.44Å; P105-V118 HydrophobicContact CG-CB 4.29Å; P105-V118 HydrophobicContact CG-CG1 3.95Å; P105-V118 HydrophobicContact CG-CG2 4.05Å; S114-V118 WeakPolarHBondContact O-CG2 3.44Å; S114-V118 PolarHBondContact O-N 2.94Å; T115-V118 PolarHBondContact O-N 3.16Å; V118-Q120 VanDerWaalsContact C-N 3.29Å; V118-Q120 PolarHBondContact O-N 3.01Å; V118-V121 PolarHBondContact O-N 3.46Å; V118-I122 HydrophobicContact CG1-CD1 3.77Å; V118-I122 HydrophobicContact CG1-CG1 4.48Å; V118-I122 WeakPolarHBondContact O-CG1 3.42Å; V118-I122 PolarHBondContact O-N 3.08Å; V118-W148 HydrophobicContact CG2-CB 4Å; V118-I160 HydrophobicContact CB-CD1 4.22Å; V118-I160 HydrophobicContact CG1-CD1 3.67Å
119	I	98.9	Very high	97.7	Very high	39 Å²	39	47.1 Å²	47.1	20%	0.2	25%	0.254	C	S	.	.	H	α-helix	trans	-58.6	-42.1	175.9	-68.5	171	0	0	0	111.1	T115 D116 I122 S123 I160 A163	T115-I119 HydrophobicContact CG2-CD1 4.01Å; T115-I119 VanDerWaalsContact O-CG1 3.31Å; T115-I119 WeakPolarHBondContact O-CG1 3.46Å; T115-I119 PolarHBondContact O-N 3.09Å; D116-I119 PolarHBondContact O-N 3Å; I119-I122 PolarHBondContact O-N 2.82Å; I119-S123 WeakPolarHBondContact O-CB 3.5Å; I119-S123 PolarHBondContact O-N 2.91Å; I119-I160 HydrophobicContact CD1-CD1 4.14Å; I119-I160 HydrophobicContact CG1-CD1 3.51Å; I119-A163 HydrophobicContact CD1-CB 3.84Å; I119-A163 HydrophobicContact CG1-CB 3.86Å; I119-A163 HydrophobicContact CG2-CB 3.87Å
120	Q	98.7	Very high	97.9	Very high	119 Å²	119	46 Å²	46	56%	0.556	25%	0.246	S	C	*	.	H	α-helix	trans	-62.9	-41.8	178.5	-76	172.3	29.8	0	0	112.1	D116 L117 V118 S123 N124	D116-Q120 WeakPolarHBondContact O-CB 3.24Å; D116-Q120 WeakPolarHBondContact O-CG 3.49Å; D116-Q120 PolarHBondContact O-N 3.19Å; L117-Q120 WeakPolarHBondContact O-CB 3.3Å; L117-Q120 PolarHBondContact O-N 3.47Å; V118-Q120 VanDerWaalsContact C-N 3.29Å; V118-Q120 PolarHBondContact O-N 3.01Å; Q120-S123 PolarHBondContact O-N 2.86Å; Q120-N124 WeakPolarHBondContact O-CB 3.45Å; Q120-N124 PolarHBondContact O-N 2.81Å
121	V	98.8	Very high	98.2	Very high	12 Å²	12	49.2 Å²	49.2	7%	0.073	26%	0.256	C	S	.	.	H	α-helix	trans	-67.9	-44.7	177.7	177.1	0	0	0	0	111.2	L41 P43 S104 P105 L117 V118 S123 N124 M125	L41-V121 HydrophobicContact CB-CG1 4.14Å; L41-V121 HydrophobicContact CD2-CG1 4.33Å; P43-V121 HydrophobicContact CG-CG2 4.39Å; S104-V121 WeakPolarHBondContact O-CG1 3.41Å; P105-V121 HydrophobicContact CG-CB 4.36Å; P105-V121 HydrophobicContact CG-CG1 4.39Å; L117-V121 WeakPolarHBondContact O-CG2 3.43Å; L117-V121 PolarHBondContact O-N 3.3Å; V118-V121 PolarHBondContact O-N 3.46Å; V121-S123 VanDerWaalsContact C-N 3.28Å; V121-S123 PolarHBondContact O-N 2.93Å; V121-N124 WeakPolarHBondContact O-CB 3.41Å; V121-N124 PolarHBondContact O-N 2.73Å; V121-N124 VanDerWaalsContact O-N 3.15Å; V121-M125 PolarHBondContact O-N 3.39Å
122	I	98.9	Very high	98.4	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.021	23%	0.232	C	C	.	.	H	α-helix	trans	-59.6	-41.8	175	-63.6	166	0	0	0	110.6	V118 I119 M125 T126 D146 L167 W168	V118-I122 HydrophobicContact CG1-CD1 3.77Å; V118-I122 HydrophobicContact CG1-CG1 4.48Å; V118-I122 WeakPolarHBondContact O-CG1 3.42Å; V118-I122 PolarHBondContact O-N 3.08Å; I119-I122 PolarHBondContact O-N 2.82Å; I122-M125 PolarHBondContact O-N 3.33Å; I122-T126 VanDerWaalsContact O-CB 3.32Å; I122-T126 WeakPolarHBondContact O-CB 3.48Å; I122-T126 PolarHBondContact O-N 3.42Å; I122-T126 PolarHBondContact O-OG1 2.96Å; I122-D146 HydrophobicContact CD1-CB 3.85Å; I122-D146 HydrophobicContact CG1-CB 4.42Å; I122-L167 HydrophobicContact CG2-CD1 3.98Å; I122-W168 HydrophobicContact CG2-CZ2 4.23Å
123	S	98.9	Very high	98.6	Very high	25 Å²	25	40.7 Å²	40.7	18%	0.175	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-43.8	175.5	-177.1	0	0	0	0	111.8	I119 Q120 V121 T126 Q127	I119-S123 WeakPolarHBondContact O-CB 3.5Å; I119-S123 PolarHBondContact O-N 2.91Å; Q120-S123 PolarHBondContact O-N 2.86Å; V121-S123 VanDerWaalsContact C-N 3.28Å; V121-S123 PolarHBondContact O-N 2.93Å; S123-T126 PolarHBondContact O-N 2.85Å; S123-Q127 WeakPolarHBondContact O-CB 3.37Å; S123-Q127 VanDerWaalsContact O-CG 3.26Å; S123-Q127 WeakPolarHBondContact O-CG 3.3Å; S123-Q127 PolarHBondContact O-N 3.29Å; S123-Q127 PolarHBondContact OG-NE2 2.8Å
124	N	98.8	Very high	98.6	Very high	58 Å²	58	42.9 Å²	42.9	31%	0.31	23%	0.227	S	C	.	.	H	α-helix	trans	-60.8	-48	176.7	-172.5	-25.1	0	0	0	111.1	Q120 V121 T126 Q127 T128	Q120-N124 WeakPolarHBondContact O-CB 3.45Å; Q120-N124 PolarHBondContact O-N 2.81Å; V121-N124 WeakPolarHBondContact O-CB 3.41Å; V121-N124 PolarHBondContact O-N 2.73Å; V121-N124 VanDerWaalsContact O-N 3.15Å; N124-T126 PolarHBondContact O-N 3.32Å; N124-Q127 PolarHBondContact O-N 3.12Å; N124-T128 WeakPolarHBondContact O-CB 3.48Å; N124-T128 PolarHBondContact O-N 2.75Å; N124-T128 PolarHBondContact O-OG1 2.94Å; N124-T128 PolarHBondContact OD1-OG1 3.31Å
125	M	98.8	Very high	98.5	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-63.1	-43.6	177.1	-65.4	-54.3	89.1	0	0	112	L39 L41 Y78 I81 W100 V121 I122 Q127 T128 I129	L39-M125 HydrophobicContact CB-SD 4.38Å; L39-M125 HydrophobicContact CD1-CB 4.21Å; L39-M125 HydrophobicContact CD1-CG 4.03Å; L39-M125 HydrophobicContact CD1-SD 3.8Å; L41-M125 HydrophobicContact CB-CE 4.24Å; L41-M125 HydrophobicContact CB-SD 4.29Å; L41-M125 HydrophobicContact CD2-CE 3.67Å; L41-M125 HydrophobicContact CG-CE 4.42Å; Y78-M125 HydrophobicContact CD2-CE 4.21Å; Y78-M125 HydrophobicContact CE2-CE 4.06Å; I81-M125 HydrophobicContact CD1-CE 4.45Å; I81-M125 HydrophobicContact CD1-SD 3.79Å; I81-M125 HydrophobicContact CG2-SD 4.13Å; W100-M125 HydrophobicContact CH2-CB 3.73Å; W100-M125 HydrophobicContact CZ2-CB 3.79Å; V121-M125 PolarHBondContact O-N 3.39Å; I122-M125 PolarHBondContact O-N 3.33Å; M125-Q127 VanDerWaalsContact C-N 3.32Å; M125-Q127 PolarHBondContact O-N 2.83Å; M125-T128 PolarHBondContact O-N 2.92Å; M125-I129 WeakPolarHBondContact O-CB 3.05Å; M125-I129 VanDerWaalsContact O-CG1 3.27Å; M125-I129 WeakPolarHBondContact O-CG1 3.35Å; M125-I129 PolarHBondContact O-N 3.23Å
126	T	98.9	Very high	98.5	Very high	6 Å²	6	47 Å²	47	4%	0.037	24%	0.244	C	C	.	.	H	α-helix	trans	-57.1	-45.4	175.4	-59.9	0	0	0	0	111.5	I122 S123 N124 T130 L167 W168 W171	I122-T126 VanDerWaalsContact O-CB 3.32Å; I122-T126 WeakPolarHBondContact O-CB 3.48Å; I122-T126 PolarHBondContact O-N 3.42Å; I122-T126 PolarHBondContact O-OG1 2.96Å; S123-T126 PolarHBondContact O-N 2.85Å; N124-T126 PolarHBondContact O-N 3.32Å; T126-T130 WeakPolarHBondContact O-CB 3.48Å; T126-T130 PolarHBondContact O-N 3.23Å; T126-T130 PolarHBondContact O-OG1 3.4Å; T126-L167 HydrophobicContact CG2-CB 4.28Å; T126-W168 PolarHBondContact OG1-NE1 3.21Å; T126-W171 HydrophobicContact CG2-CH2 3.65Å; T126-W171 HydrophobicContact CG2-CZ2 4.43Å; T126-W171 HydrophobicContact CG2-CZ3 3.96Å
127	Q	98.8	Very high	98.5	Very high	102 Å²	102	44.6 Å²	44.6	48%	0.477	23%	0.234	S	C	.	.	H	α-helix	trans	-67.7	-43.2	178.1	-72.1	174.3	38.5	0	0	111.8	S123 N124 M125 I129 T130 Q131	S123-Q127 WeakPolarHBondContact O-CB 3.37Å; S123-Q127 VanDerWaalsContact O-CG 3.26Å; S123-Q127 WeakPolarHBondContact O-CG 3.3Å; S123-Q127 PolarHBondContact O-N 3.29Å; S123-Q127 PolarHBondContact OG-NE2 2.8Å; N124-Q127 PolarHBondContact O-N 3.12Å; M125-Q127 VanDerWaalsContact C-N 3.32Å; M125-Q127 PolarHBondContact O-N 2.83Å; Q127-I129 PolarHBondContact O-N 3.14Å; Q127-T130 WeakPolarHBondContact O-CB 3.5Å; Q127-T130 PolarHBondContact O-N 3.35Å; Q127-Q131 WeakPolarHBondContact O-CB 3.41Å; Q127-Q131 VanDerWaalsContact O-CG 3.26Å; Q127-Q131 WeakPolarHBondContact O-CG 2.81Å; Q127-Q131 PolarHBondContact O-N 2.95Å
128	T	98.8	Very high	98.5	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-46.6	179.4	-57	0	0	0	0	110.9	Y78 F85 N124 M125 T130 Q131 H132	Y78-T128 HydrophobicContact CE2-CG2 3.95Å; Y78-T128 WeakPolarHBondContact CE2-OG1 3.3Å; Y78-T128 PolarHBondContact OH-OG1 2.97Å; Y78-T128 VanDerWaalsContact OH-OG1 3.11Å; F85-T128 HydrophobicContact CD2-CG2 3.73Å; F85-T128 HydrophobicContact CE2-CG2 3.88Å; N124-T128 WeakPolarHBondContact O-CB 3.48Å; N124-T128 PolarHBondContact O-N 2.75Å; N124-T128 PolarHBondContact O-OG1 2.94Å; N124-T128 PolarHBondContact OD1-OG1 3.31Å; M125-T128 PolarHBondContact O-N 2.92Å; T128-T130 VanDerWaalsContact C-N 3.35Å; T128-T130 PolarHBondContact O-N 3.21Å; T128-Q131 PolarHBondContact O-N 2.05Å; T128-H132 PolarHBondContact O-N 3.2Å; T128-H132 PolarHBondContact O-ND1 2.7Å
129	I	98.8	Very high	98.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.2	-47.1	174.7	-67.1	164.1	0	0	0	109.8	I36 F85 W100 M125 Q127 Q131 H132 F133 V138 W171	I36-I129 HydrophobicContact CD1-CD1 3.86Å; I36-I129 HydrophobicContact CD1-CG1 4.2Å; F85-I129 HydrophobicContact CE1-CG1 4.41Å; F85-I129 HydrophobicContact CE2-CG1 3.79Å; F85-I129 HydrophobicContact CZ-CD1 4.36Å; F85-I129 HydrophobicContact CZ-CG1 3.66Å; W100-I129 HydrophobicContact CD2-CD1 3.78Å; W100-I129 HydrophobicContact CE3-CD1 3.59Å; W100-I129 HydrophobicContact CG-CD1 4.36Å; W100-I129 HydrophobicContact CH2-CD1 4.3Å; W100-I129 HydrophobicContact CZ2-CD1 4.44Å; W100-I129 HydrophobicContact CZ3-CD1 3.87Å; M125-I129 WeakPolarHBondContact O-CB 3.05Å; M125-I129 VanDerWaalsContact O-CG1 3.27Å; M125-I129 WeakPolarHBondContact O-CG1 3.35Å; M125-I129 PolarHBondContact O-N 3.23Å; Q127-I129 PolarHBondContact O-N 3.14Å; I129-Q131 VanDerWaalsContact C-N 3.3Å; I129-Q131 PolarHBondContact O-N 2.64Å; I129-H132 PolarHBondContact O-N 3.34Å; I129-F133 HydrophobicContact CG2-CD2 4.12Å; I129-F133 VanDerWaalsContact O-CD2 3.32Å; I129-F133 WeakPolarHBondContact O-CD2 3.47Å; I129-F133 PolarHBondContact O-N 2.8Å; I129-V138 HydrophobicContact CG2-CG2 3.76Å; I129-W171 HydrophobicContact CG2-CH2 4.43Å; I129-W171 HydrophobicContact CG2-CZ2 4.3Å
130	T	98.4	Very high	98.5	Very high	26 Å²	26	39.4 Å²	39.4	16%	0.16	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-36.5	179.8	-63.1	0	0	0	0	113	T126 Q127 T128 F133 P134 W171	T126-T130 WeakPolarHBondContact O-CB 3.48Å; T126-T130 PolarHBondContact O-N 3.23Å; T126-T130 PolarHBondContact O-OG1 3.4Å; Q127-T130 WeakPolarHBondContact O-CB 3.5Å; Q127-T130 PolarHBondContact O-N 3.35Å; T128-T130 VanDerWaalsContact C-N 3.35Å; T128-T130 PolarHBondContact O-N 3.21Å; T130-F133 CarbonylContact O-C 3.53Å; T130-P134 WeakPolarHBondContact O-CA 3.45Å; T130-W171 WeakPolarHBondContact OG1-CZ2 3.48Å
131	Q	98.4	Very high	98.5	Very high	129 Å²	129	33.9 Å²	33.9	60%	0.603	18%	0.181	S	C	*	.	H	α-helix	trans	-68.8	-39	179	-74.9	169.2	4.5	0	0	112	Q127 T128 I129	Q127-Q131 WeakPolarHBondContact O-CB 3.41Å; Q127-Q131 VanDerWaalsContact O-CG 3.26Å; Q127-Q131 WeakPolarHBondContact O-CG 2.81Å; Q127-Q131 PolarHBondContact O-N 2.95Å; T128-Q131 PolarHBondContact O-N 2.05Å; I129-Q131 VanDerWaalsContact C-N 3.3Å; I129-Q131 PolarHBondContact O-N 2.64Å
132	H	98.6	Very high	98.5	Very high	49 Å²	49	33.3 Å²	33.3	23%	0.227	18%	0.178	C	C	.	.	H	α-helix	trans	-78.8	-31.1	178	-69	84.4	0	0	0	112.5	F85 T128 I129 P134	F85-H132 HydrophobicContact CB-CB 4.05Å; T128-H132 PolarHBondContact O-N 3.2Å; T128-H132 PolarHBondContact O-ND1 2.7Å; I129-H132 PolarHBondContact O-N 3.34Å; H132-P134 VanDerWaalsContact C-CD 3.48Å; H132-P134 WeakPolarHBondContact O-CD 3.38Å
133	F	98.3	Very high	98.5	Very high	8 Å²	8	33.1 Å²	33.1	4%	0.035	18%	0.177	C	C	.	.			trans	-129.2	61.6	-174.1	-49.8	-73.2	0	0	0	112.2	F85 M88 A89 I98 I129 T130 N135 L136	F85-F133 HydrophobicContact CB-CE2 4.08Å; F85-F133 HydrophobicContact CB-CZ 4.3Å; F85-F133 HydrophobicContact CD1-CE2 4Å; F85-F133 HydrophobicContact CD1-CZ 4.5Å; F85-F133 HydrophobicContact CG-CE2 4.13Å; M88-F133 HydrophobicContact CB-CE1 4.23Å; M88-F133 HydrophobicContact CB-CZ 3.75Å; M88-F133 HydrophobicContact CE-CZ 4.19Å; A89-F133 HydrophobicContact CB-CE1 4.21Å; I98-F133 HydrophobicContact CD1-CB 4.17Å; I98-F133 HydrophobicContact CD1-CD1 4.27Å; I98-F133 HydrophobicContact CD1-CD2 3.64Å; I98-F133 HydrophobicContact CD1-CE2 4.07Å; I98-F133 HydrophobicContact CD1-CG 3.76Å; I129-F133 HydrophobicContact CG2-CD2 4.12Å; I129-F133 VanDerWaalsContact O-CD2 3.32Å; I129-F133 WeakPolarHBondContact O-CD2 3.47Å; I129-F133 PolarHBondContact O-N 2.8Å; T130-F133 CarbonylContact O-C 3.53Å; F133-N135 PolarHBondContact O-N 3.33Å; F133-N135 VanDerWaalsContact O-N 3.09Å; F133-L136 HydrophobicContact CB-CB 4.18Å; F133-L136 HydrophobicContact CB-CD1 3.79Å; F133-L136 HydrophobicContact CB-CG 4.1Å; F133-L136 HydrophobicContact CD1-CD1 3.76Å; F133-L136 HydrophobicContact CG-CD1 4.02Å; F133-L136 PolarHBondContact O-N 3.13Å
134	P	97.5	Very high	98.5	Very high	67 Å²	67	32.1 Å²	32.1	44%	0.435	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.4	-170.3	25.4	-35.8	0	0	0	114.4	T130 H132 R170	T130-P134 WeakPolarHBondContact O-CA 3.45Å; H132-P134 VanDerWaalsContact C-CD 3.48Å; H132-P134 WeakPolarHBondContact O-CD 3.38Å; P134-R170 PolarHBondContact O-NH2 3.45Å
135	N	96.6	Very high	98.5	Very high	148 Å²	148	29.7 Å²	29.7	79%	0.791	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.6	-0.6	-174.8	-61.6	-31.6	0	0	0	113.9	F133	F133-N135 PolarHBondContact O-N 3.33Å; F133-N135 VanDerWaalsContact O-N 3.09Å
136	L	98	Very high	98.5	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.063	16%	0.157	C	C	.	.			trans	-96	146.6	-179.5	-57.4	179.8	0	0	0	111.4	T92 D96 I98 F133	T92-L136 HydrophobicContact CG2-CD1 3.27Å; T92-L136 HydrophobicContact CG2-CD2 4.27Å; T92-L136 HydrophobicContact CG2-CG 4.35Å; D96-L136 WeakPolarHBondContact O-CD2 3.48Å; I98-L136 HydrophobicContact CD1-CD1 3.99Å; I98-L136 HydrophobicContact CG1-CD1 4.12Å; F133-L136 HydrophobicContact CB-CB 4.18Å; F133-L136 HydrophobicContact CB-CD1 3.79Å; F133-L136 HydrophobicContact CB-CG 4.1Å; F133-L136 HydrophobicContact CD1-CD1 3.76Å; F133-L136 HydrophobicContact CG-CD1 4.02Å; F133-L136 PolarHBondContact O-N 3.13Å
137	T	98.6	Very high	98.5	Very high	59 Å²	59	31.2 Å²	31.2	36%	0.362	16%	0.162	S	C	.	.			trans	-81.7	132.6	165.6	-55.1	0	0	0	0	109.2	I98 F139 W171	I98-T137 PolarHBondContact N-O 3.33Å; I98-T137 VanDerWaalsContact N-O 3.1Å; T137-F139 HydrophobicContact CG2-CD2 4.45Å; T137-F139 HydrophobicContact CG2-CE1 3.94Å; T137-F139 HydrophobicContact CG2-CE2 3.82Å; T137-F139 HydrophobicContact CG2-CZ 3.53Å; T137-W171 HydrophobicContact CG2-CB 4.22Å
138	V	98.9	Very high	98.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.5	174.4	-173.3	0	0	0	0	108.3	I98 W100 I129 P140 W171	I98-V138 HydrophobicContact CB-CB 4.46Å; I98-V138 HydrophobicContact CB-CG1 4.17Å; I98-V138 HydrophobicContact CB-CG2 4.14Å; I98-V138 HydrophobicContact CD1-CG2 4.33Å; I98-V138 HydrophobicContact CG2-CG1 4.19Å; I98-V138 CarbonylContact O-C 3.55Å; I98-V138 VanDerWaalsContact O-CA 3.32Å; I98-V138 WeakPolarHBondContact O-CA 3.36Å; W100-V138 HydrophobicContact CB-CG1 3.96Å; I129-V138 HydrophobicContact CG2-CG2 3.76Å; V138-P140 WeakPolarHBondContact O-CD 3.29Å; V138-W171 HydrophobicContact CB-CD2 3.66Å; V138-W171 HydrophobicContact CB-CE3 3.82Å; V138-W171 HydrophobicContact CB-CG 4.18Å; V138-W171 HydrophobicContact CB-CH2 3.97Å; V138-W171 HydrophobicContact CB-CZ2 3.84Å; V138-W171 HydrophobicContact CB-CZ3 3.96Å; V138-W171 HydrophobicContact CG1-CE3 4.44Å; V138-W171 HydrophobicContact CG1-CH2 4.3Å; V138-W171 HydrophobicContact CG1-CZ3 4.22Å; V138-W171 HydrophobicContact CG2-CD2 4.13Å; V138-W171 HydrophobicContact CG2-CH2 4.08Å; V138-W171 HydrophobicContact CG2-CZ2 3.57Å; V138-W171 VanDerWaalsContact O-CB 3.23Å; V138-W171 WeakPolarHBondContact O-CB 3.22Å
139	F	98.9	Very high	98.5	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.013	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	94.1	174.8	-60.7	-79.1	0	0	0	109.2	F97 I98 I99 W100 T137 L172 Y186 Q188 V190 L196 I241	F97-F139 HydrophobicContact CB-CD2 4.42Å; F97-F139 HydrophobicContact CB-CE2 4.01Å; F97-F139 AromaticContact CD2-CD2 3.76Å; F97-F139 HydrophobicContact CD2-CD2 3.76Å; F97-F139 AromaticContact CD2-CE2 3.87Å; F97-F139 HydrophobicContact CD2-CE2 3.87Å; F97-F139 HydrophobicContact CE2-CD2 4.44Å; F97-F139 HydrophobicContact CG-CD2 4.37Å; F97-F139 HydrophobicContact CG-CE2 4.05Å; I98-F139 PolarHBondContact O-N 2.85Å; I99-F139 WeakPolarHBondContact CA-O 3.36Å; I99-F139 HydrophobicContact CG2-CB 4.41Å; W100-F139 PolarHBondContact N-O 3.12Å; T137-F139 HydrophobicContact CG2-CD2 4.45Å; T137-F139 HydrophobicContact CG2-CE1 3.94Å; T137-F139 HydrophobicContact CG2-CE2 3.82Å; T137-F139 HydrophobicContact CG2-CZ 3.53Å; F139-L172 HydrophobicContact CD1-CD2 4.37Å; F139-Y186 WeakPolarHBondContact CA-OH 3.06Å; F139-Q188 HydrophobicContact CD1-CB 4.48Å; F139-Q188 HydrophobicContact CE1-CB 4.07Å; F139-Q188 HydrophobicContact CE1-CG 3.93Å; F139-V190 HydrophobicContact CE1-CG2 4.22Å; F139-V190 HydrophobicContact CE2-CB 4.37Å; F139-V190 HydrophobicContact CE2-CG1 3.88Å; F139-V190 HydrophobicContact CE2-CG2 3.93Å; F139-V190 HydrophobicContact CZ-CB 4.11Å; F139-V190 HydrophobicContact CZ-CG1 4.01Å; F139-V190 HydrophobicContact CZ-CG2 3.74Å; F139-L196 HydrophobicContact CB-CD1 3.53Å; F139-L196 HydrophobicContact CB-CD2 3.8Å; F139-L196 HydrophobicContact CB-CG 4.29Å; F139-L196 HydrophobicContact CD1-CD1 4.29Å; F139-L196 HydrophobicContact CD1-CD2 4.1Å; F139-L196 HydrophobicContact CD2-CD1 3.99Å; F139-L196 HydrophobicContact CG-CD1 3.67Å; F139-L196 HydrophobicContact CG-CD2 4.13Å; F139-L196 HydrophobicContact CG-CG 4.4Å; F139-I241 HydrophobicContact CB-CD1 4.21Å; F139-I241 WeakPolarHBondContact O-CD1 3.45Å
140	P	98.9	Very high	98.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	154.4	-179.2	30.5	-35.7	0	0	0	113.3	W100 V138 W168 W171 Y186 S198	W100-P140 HydrophobicContact CD2-CB 4.48Å; W100-P140 HydrophobicContact CE3-CB 3.94Å; W100-P140 CarbonylContact O-C 3.6Å; W100-P140 WeakPolarHBondContact O-CA 3.35Å; V138-P140 WeakPolarHBondContact O-CD 3.29Å; P140-W168 HydrophobicContact CB-CD2 3.96Å; P140-W168 HydrophobicContact CB-CE3 3.95Å; P140-W168 HydrophobicContact CB-CH2 3.76Å; P140-W168 HydrophobicContact CB-CZ2 3.77Å; P140-W168 HydrophobicContact CB-CZ3 3.85Å; P140-W168 HydrophobicContact CG-CB 4.29Å; P140-W168 HydrophobicContact CG-CD2 3.28Å; P140-W168 HydrophobicContact CG-CE3 3.25Å; P140-W168 HydrophobicContact CG-CG 3.74Å; P140-W168 HydrophobicContact CG-CH2 4.03Å; P140-W168 HydrophobicContact CG-CZ2 4.06Å; P140-W168 HydrophobicContact CG-CZ3 3.65Å; P140-W171 HydrophobicContact CG-CE3 4.34Å; P140-W171 HydrophobicContact CG-CZ3 4.46Å; P140-Y186 VanDerWaalsContact CD-OH 3.28Å; P140-Y186 WeakPolarHBondContact CD-OH 3.23Å; P140-Y186 VanDerWaalsContact N-OH 3.14Å; P140-Y186 WeakPolarHBondContact O-CE1 3.42Å; P140-Y186 PolarHBondContact O-OH 2.88Å; P140-S198 PolarHBondContact O-OG 2.93Å
141	A	98.9	Very high	98.4	Very high	2 Å²	2	35 Å²	35	2%	0.017	18%	0.179	C	C	.	.			trans	-123.3	151.6	159.1	0	0	0	0	0	108.4	W100 T101 G102 S198 I241	W100-A141 PolarHBondContact O-N 2.96Å; T101-A141 HydrophobicContact CG2-CB 4.49Å; G102-A141 WeakPolarHBondContact CA-O 3.34Å; G102-A141 PolarHBondContact N-O 3.39Å; G102-A141 VanDerWaalsContact N-O 3.12Å; A141-S198 WeakPolarHBondContact CA-OG 3.16Å; A141-S198 VanDerWaalsContact CB-OG 3.28Å; A141-S198 WeakPolarHBondContact CB-OG 3.23Å; A141-I241 HydrophobicContact CB-CD1 4.26Å; A141-I241 HydrophobicContact CB-CG1 4.34Å
142	L	98.9	Very high	98.3	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.16	C	C	.	.			trans	-79.3	144.6	171.7	-68.3	163.3	0	0	0	109.4	D146 M153 I160 Y161 A164 W168 I202 H243	L142-D146 HydrophobicContact CB-CB 4.48Å; L142-D146 HydrophobicContact CD2-CB 3.88Å; L142-M153 HydrophobicContact CB-CE 3.81Å; L142-M153 HydrophobicContact CD1-CE 3.71Å; L142-M153 HydrophobicContact CG-CE 4.25Å; L142-I160 HydrophobicContact CD2-CG2 4.37Å; L142-Y161 HydrophobicContact CD1-CD1 3.63Å; L142-Y161 HydrophobicContact CD1-CE1 3.74Å; L142-A164 HydrophobicContact CD2-CB 4.25Å; L142-W168 HydrophobicContact CD2-CH2 3.57Å; L142-W168 HydrophobicContact CD2-CZ2 4.25Å; L142-W168 HydrophobicContact CD2-CZ3 4.4Å; L142-W168 HydrophobicContact CG-CH2 3.82Å; L142-W168 HydrophobicContact CG-CZ3 4.29Å; L142-I202 WeakPolarHBondContact O-CD1 3.26Å; L142-H243 VanDerWaalsContact O-CB 3.25Å; L142-H243 WeakPolarHBondContact O-CB 3.38Å
143	G	98.9	Very high	98.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.149	C	C	.	.			trans	-101.6	175.6	169.6	0	0	0	0	0	113.5	D103 H145 D146 H243	D103-G143 WeakPolarHBondContact OD1-CA 3.33Å; G143-H145 VanDerWaalsContact C-N 3.32Å; G143-D146 PolarHBondContact N-OD2 3.37Å; G143-D146 PolarHBondContact O-N 3.35Å; G143-H243 VanDerWaalsContact CA-CD2 3.44Å; G143-H243 WeakPolarHBondContact CA-CD2 3.36Å
144	N	98.8	Very high	98.2	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	15%	0.154	C	C	.	.	S	Bend	trans	-73.4	-24.7	-177.8	61.5	-81	0	0	0	112.9	D103 D151 I202 Y205 H243 H284	D103-N144 PolarHBondContact OD1-N 3.03Å; N144-D151 WeakPolarHBondContact CB-OD1 3.44Å; N144-D151 PolarHBondContact ND2-OD1 2.88Å; N144-D151 PolarHBondContact O-N 3.49Å; N144-I202 HydrophobicContact CB-CG1 3.87Å; N144-I202 HydrophobicContact CB-CG2 3.99Å; N144-Y205 HydrophobicContact CB-CD1 4.11Å; N144-Y205 HydrophobicContact CB-CE1 4.25Å; N144-H243 PolarHBondContact OD1-CD2 2.85Å; N144-H243 VanDerWaalsContact OD1-CD2 3.31Å; N144-H243 PolarHBondContact OD1-NE2 2.93Å; N144-H284 PolarHBondContact OD1-CE1 2.83Å; N144-H284 VanDerWaalsContact OD1-CE1 3.24Å; N144-H284 PolarHBondContact OD1-ND1 3.37Å
145	H	98.8	Very high	98.2	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.037	15%	0.148	C	C	.	.	S	Bend	trans	-81.8	-13.6	171.4	-80.2	-98.9	0	0	0	113.3	H40 D103 P105 H107 G143 Y147 Q150	H40-H145 AromaticContact CE1-CD2 3.84Å; H40-H145 AromaticContact CE1-CG 3.83Å; D103-H145 WeakPolarHBondContact OD1-CB 3.41Å; D103-H145 PolarHBondContact OD1-N 3.26Å; D103-H145 IonicContact OD2-CD2 3.71Å; D103-H145 PolarHBondContact OD2-CD2 3.02Å; D103-H145 IonicContact OD2-CG 3.75Å; P105-H145 WeakPolarHBondContact CD-O 3.42Å; P105-H145 WeakPolarHBondContact CG-O 3.46Å; H107-H145 AromaticContact CD2-CE1 3.42Å; H107-H145 PolarHBondContact CD2-CE1 2.94Å; H107-H145 VanDerWaalsContact CD2-CE1 3.42Å; H107-H145 AromaticContact CD2-NE2 3.4Å; H107-H145 PolarHBondContact CD2-NE2 2.62Å; H107-H145 AromaticContact CG-CE1 4Å; H107-H145 AromaticContact NE2-NE2 3.63Å; G143-H145 VanDerWaalsContact C-N 3.32Å; H145-Y147 PolarHBondContact O-N 2.8Å; H145-Q150 PolarHBondContact CE1-NE2 2.95Å; H145-Q150 PolarHBondContact NE2-NE2 3.05Å
146	D	98.8	Very high	98.2	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.011	13%	0.132	C	C	.	.	S	Bend	trans	-75.8	21.7	176.1	-64.7	-39.3	0	0	0	113.1	G102 D103 S104 P105 I122 L142 G143 I160	G102-D146 WeakPolarHBondContact CA-OD2 3.12Å; D103-D146 PolarHBondContact N-OD2 3.43Å; S104-D146 WeakPolarHBondContact CB-OD1 3.49Å; S104-D146 PolarHBondContact N-OD1 3.17Å; S104-D146 PolarHBondContact OG-OD1 2.91Å; P105-D146 WeakPolarHBondContact CD-OD1 3.46Å; I122-D146 HydrophobicContact CD1-CB 3.85Å; I122-D146 HydrophobicContact CG1-CB 4.42Å; L142-D146 HydrophobicContact CB-CB 4.48Å; L142-D146 HydrophobicContact CD2-CB 3.88Å; G143-D146 PolarHBondContact N-OD2 3.37Å; G143-D146 PolarHBondContact O-N 3.35Å; D146-I160 WeakPolarHBondContact O-CG2 3.29Å
147	Y	98.6	Very high	98.3	Very high	35 Å²	35	27.6 Å²	27.6	14%	0.137	15%	0.15	C	C	.	.	S	Bend	trans	-139.4	156.5	176.3	-161.5	-96.4	0	0	0	111.3	H145 P149 Q150 Q152 M153 P154 N158 I160	H145-Y147 PolarHBondContact O-N 2.8Å; Y147-P149 WeakPolarHBondContact CD1-O 3.47Å; Y147-P149 CarbonylContact O-C 3.54Å; Y147-Q150 WeakPolarHBondContact O-CA 3.49Å; Y147-Q150 PolarHBondContact O-N 3.29Å; Y147-Q152 WeakPolarHBondContact CD1-O 3.37Å; Y147-Q152 WeakPolarHBondContact CE1-O 3.32Å; Y147-M153 HydrophobicContact CD2-CE 4.2Å; Y147-M153 HydrophobicContact CD2-SD 3.43Å; Y147-M153 WeakPolarHBondContact CD2-SD 3.37Å; Y147-M153 HydrophobicContact CE2-SD 4.15Å; Y147-M153 HydrophobicContact CG-CG 4.33Å; Y147-M153 HydrophobicContact CG-SD 3.81Å; Y147-P154 HydrophobicContact CE1-CG 4.26Å; Y147-P154 HydrophobicContact CE2-CG 4.21Å; Y147-P154 WeakPolarHBondContact OH-CD 3.47Å; Y147-P154 WeakPolarHBondContact OH-CG 3.35Å; Y147-N158 HydrophobicContact CE2-CB 4.4Å; Y147-I160 HydrophobicContact CD2-CB 3.77Å; Y147-I160 HydrophobicContact CD2-CG1 3.52Å; Y147-I160 HydrophobicContact CD2-CG2 4.09Å; Y147-I160 HydrophobicContact CE2-CB 3.94Å; Y147-I160 HydrophobicContact CE2-CG1 3.71Å; Y147-I160 HydrophobicContact CG-CG1 4.4Å
148	W	98.4	Very high	98.3	Very high	89 Å²	89	25.5 Å²	25.5	34%	0.337	14%	0.136	S	C	.	.	S	Bend	trans	-127.2	130.3	173.4	-175.8	85.7	0	0	0	112.4	P110 L113 V118	P110-W148 PolarHBondContact O-NE1 3.21Å; L113-W148 VanDerWaalsContact C-NE1 3.34Å; L113-W148 PolarHBondContact O-NE1 3.33Å; V118-W148 HydrophobicContact CG2-CB 4Å
149	P	98	Very high	98.2	Very high	54 Å²	54	30.5 Å²	30.5	35%	0.351	16%	0.163	S	C	.	.	S	Bend	cis	-60.9	151.2	-11.8	-21.7	34.6	0	0	0	111.8	Y147 Q152	Y147-P149 WeakPolarHBondContact CD1-O 3.47Å; Y147-P149 CarbonylContact O-C 3.54Å; P149-Q152 HydrophobicContact CB-CG 4.28Å; P149-Q152 PolarHBondContact O-N 2.92Å
150	Q	97.3	Very high	98.2	Very high	46 Å²	46	30.4 Å²	30.4	22%	0.215	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.3	148.9	-178.8	63	174.8	93.2	0	0	112.5	H145 Y147 Q152	H145-Q150 PolarHBondContact CE1-NE2 2.95Å; H145-Q150 PolarHBondContact NE2-NE2 3.05Å; Y147-Q150 WeakPolarHBondContact O-CA 3.49Å; Y147-Q150 PolarHBondContact O-N 3.29Å; Q150-Q152 WeakPolarHBondContact O-CG 3.49Å; Q150-Q152 PolarHBondContact O-N 2.92Å; Q150-Q152 PolarHBondContact O-NE2 3.11Å
151	D	97.6	Very high	98.2	Very high	20 Å²	20	30.4 Å²	30.4	11%	0.107	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	-22.3	-177.8	-39.4	-38.5	0	0	0	115.6	N144 M153 I202 Y205 P207 D208	N144-D151 WeakPolarHBondContact CB-OD1 3.44Å; N144-D151 PolarHBondContact ND2-OD1 2.88Å; N144-D151 PolarHBondContact O-N 3.49Å; D151-M153 PolarHBondContact O-N 3.43Å; D151-I202 WeakPolarHBondContact O-CG2 3.35Å; D151-Y205 HydrophobicContact CB-CD1 4.13Å; D151-Y205 HydrophobicContact CB-CE1 4.31Å; D151-P207 HydrophobicContact CB-CB 4.09Å; D151-D208 WeakPolarHBondContact O-CB 3.19Å; D151-D208 VanDerWaalsContact O-CG 3.3Å
152	Q	98.1	Very high	98.2	Very high	42 Å²	42	35.3 Å²	35.3	20%	0.196	18%	0.183	C	C	.	.			trans	-83	53.2	-168.9	-50.6	-49	-72.7	0	0	113.2	Y147 P149 Q150 P154 P207 D208 V210	Y147-Q152 WeakPolarHBondContact CD1-O 3.37Å; Y147-Q152 WeakPolarHBondContact CE1-O 3.32Å; P149-Q152 HydrophobicContact CB-CG 4.28Å; P149-Q152 PolarHBondContact O-N 2.92Å; Q150-Q152 WeakPolarHBondContact O-CG 3.49Å; Q150-Q152 PolarHBondContact O-N 2.92Å; Q150-Q152 PolarHBondContact O-NE2 3.11Å; Q152-P154 WeakPolarHBondContact O-CD 3.14Å; Q152-P207 PolarHBondContact NE2-O 2.81Å; Q152-P207 VanDerWaalsContact NE2-O 3.1Å; Q152-D208 WeakPolarHBondContact CA-OD1 3.47Å; Q152-V210 HydrophobicContact CB-CG2 3.92Å
153	M	96.9	Very high	98.2	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.			trans	-68.4	122.5	-176.8	-91.1	-68.4	-158.1	0	0	112.7	L142 Y147 D151 Y161 I202 L203 D208	L142-M153 HydrophobicContact CB-CE 3.81Å; L142-M153 HydrophobicContact CD1-CE 3.71Å; L142-M153 HydrophobicContact CG-CE 4.25Å; Y147-M153 HydrophobicContact CD2-CE 4.2Å; Y147-M153 HydrophobicContact CD2-SD 3.43Å; Y147-M153 WeakPolarHBondContact CD2-SD 3.37Å; Y147-M153 HydrophobicContact CE2-SD 4.15Å; Y147-M153 HydrophobicContact CG-CG 4.33Å; Y147-M153 HydrophobicContact CG-SD 3.81Å; D151-M153 PolarHBondContact O-N 3.43Å; M153-Y161 HydrophobicContact CE-CD1 4.42Å; M153-Y161 HydrophobicContact CE-CE1 3.56Å; M153-Y161 HydrophobicContact SD-CD1 4.39Å; M153-Y161 HydrophobicContact SD-CE1 3.31Å; M153-Y161 WeakPolarHBondContact SD-CE1 3.49Å; M153-Y161 VanDerWaalsContact SD-CZ 3.59Å; M153-Y161 PolarHBondContact SD-OH 2.8Å; M153-I202 HydrophobicContact CB-CB 4.13Å; M153-I202 HydrophobicContact CB-CG2 3.69Å; M153-I202 HydrophobicContact CG-CB 3.81Å; M153-I202 HydrophobicContact CG-CG1 4.47Å; M153-I202 HydrophobicContact CG-CG2 3.49Å; M153-I202 VanDerWaalsContact CG-CG2 3.49Å; M153-L203 HydrophobicContact CB-CD2 4.04Å; M153-L203 WeakPolarHBondContact O-CD2 3.3Å; M153-D208 PolarHBondContact N-OD1 3.4Å
154	P	97.1	Very high	98.2	Very high	22 Å²	22	36.2 Å²	36.2	14%	0.143	19%	0.191	C	C	.	.			trans	-72.5	152.5	174.3	-16.8	30.9	0	0	0	113.3	Y147 Q152 S156 N158 Y161 L203	Y147-P154 HydrophobicContact CE1-CG 4.26Å; Y147-P154 HydrophobicContact CE2-CG 4.21Å; Y147-P154 WeakPolarHBondContact OH-CD 3.47Å; Y147-P154 WeakPolarHBondContact OH-CG 3.35Å; Q152-P154 WeakPolarHBondContact O-CD 3.14Å; P154-S156 PolarHBondContact O-N 3.41Å; P154-N158 HydrophobicContact CG-CB 4.44Å; P154-Y161 WeakPolarHBondContact O-CE2 3.37Å; P154-Y161 PolarHBondContact O-OH 2.86Å; P154-L203 WeakPolarHBondContact O-CD2 3.3Å
155	D	97.1	Very high	98.2	Very high	58 Å²	58	36.6 Å²	36.6	31%	0.31	20%	0.195	S	C	.	.	S	Bend	trans	-82.3	9.5	175.1	75	-30.5	0	0	0	113.8	M214 P217 A218	D155-M214 HydrophobicContact CB-SD 4.12Å; D155-P217 HydrophobicContact CB-CB 4.15Å; D155-A218 HydrophobicContact CB-CB 4.32Å; D155-A218 WeakPolarHBondContact O-CA 3.48Å; D155-A218 VanDerWaalsContact O-CB 3.27Å; D155-A218 WeakPolarHBondContact O-CB 3.36Å
156	S	97.8	Very high	98.2	Very high	64 Å²	64	39.6 Å²	39.6	45%	0.448	22%	0.221	S	C	.	.	S	Bend	trans	-143.9	170	-177.7	56.6	0	0	0	0	111.8	P154 N158 Y161 Q182	P154-S156 PolarHBondContact O-N 3.41Å; S156-N158 PolarHBondContact O-N 2.85Å; S156-N158 PolarHBondContact O-ND2 3.14Å; S156-Y161 WeakPolarHBondContact O-CE2 3.47Å; S156-Q182 CarbonylContact C-O 3.54Å
157	T	98.3	Very high	98.2	Very high	71 Å²	71	41.6 Å²	41.6	44%	0.436	23%	0.232	S	C	.	.			trans	-54.4	137.7	-176.4	-168.8	0	0	0	0	112	K162 S181 Q182	T157-K162 VanDerWaalsContact OG1-CE 3.3Å; T157-K162 WeakPolarHBondContact OG1-CE 3.06Å; T157-S181 VanDerWaalsContact CB-O 3.31Å; T157-S181 WeakPolarHBondContact CB-O 3.13Å; T157-S181 PolarHBondContact OG1-O 3.4Å; T157-Q182 PolarHBondContact N-O 2.66Å
158	N	98.6	Very high	98.2	Very high	15 Å²	15	40 Å²	40	8%	0.08	23%	0.225	C	C	.	.			trans	-149.4	177.1	179.8	62.9	64.6	0	0	0	110.3	Y147 P154 S156 I160 Y161 K162	Y147-N158 HydrophobicContact CE2-CB 4.4Å; P154-N158 HydrophobicContact CG-CB 4.44Å; S156-N158 PolarHBondContact O-N 2.85Å; S156-N158 PolarHBondContact O-ND2 3.14Å; N158-I160 VanDerWaalsContact C-N 3.35Å; N158-I160 PolarHBondContact O-N 2.83Å; N158-I160 WeakPolarHBondContact OD1-CA 3.39Å; N158-I160 WeakPolarHBondContact OD1-CB 3.48Å; N158-I160 PolarHBondContact OD1-N 2.8Å; N158-Y161 WeakPolarHBondContact ND2-CD2 3.18Å; N158-Y161 WeakPolarHBondContact ND2-CE2 3.34Å; N158-Y161 PolarHBondContact O-N 3.02Å; N158-Y161 PolarHBondContact OD1-N 2.72Å; N158-K162 VanDerWaalsContact O-CG 3.3Å; N158-K162 WeakPolarHBondContact O-CG 3.4Å; N158-K162 PolarHBondContact O-N 3.02Å
159	D	98.6	Very high	98.2	Very high	105 Å²	105	43 Å²	43	56%	0.561	24%	0.241	S	C	*	.	H	α-helix	trans	-68.2	-33.2	-173.9	-63.6	-26.8	0	0	0	112.9	T115 A163	T115-D159 HydrophobicContact CG2-CB 4.25Å; D159-A163 WeakPolarHBondContact O-CB 3.49Å; D159-A163 PolarHBondContact O-N 2.86Å
160	I	98.8	Very high	98.2	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	25%	0.248	C	C	.	.	H	α-helix	trans	-65.4	-49.2	174	-63.2	-64.7	0	0	0	110.7	T115 V118 I119 L142 D146 Y147 N158 K162 A163 A164	T115-I160 HydrophobicContact CG2-CD1 4.01Å; T115-I160 HydrophobicContact CG2-CG1 4.27Å; V118-I160 HydrophobicContact CB-CD1 4.22Å; V118-I160 HydrophobicContact CG1-CD1 3.67Å; I119-I160 HydrophobicContact CD1-CD1 4.14Å; I119-I160 HydrophobicContact CG1-CD1 3.51Å; L142-I160 HydrophobicContact CD2-CG2 4.37Å; D146-I160 WeakPolarHBondContact O-CG2 3.29Å; Y147-I160 HydrophobicContact CD2-CB 3.77Å; Y147-I160 HydrophobicContact CD2-CG1 3.52Å; Y147-I160 HydrophobicContact CD2-CG2 4.09Å; Y147-I160 HydrophobicContact CE2-CB 3.94Å; Y147-I160 HydrophobicContact CE2-CG1 3.71Å; Y147-I160 HydrophobicContact CG-CG1 4.4Å; N158-I160 VanDerWaalsContact C-N 3.35Å; N158-I160 PolarHBondContact O-N 2.83Å; N158-I160 WeakPolarHBondContact OD1-CA 3.39Å; N158-I160 WeakPolarHBondContact OD1-CB 3.48Å; N158-I160 PolarHBondContact OD1-N 2.8Å; I160-K162 VanDerWaalsContact C-N 3.31Å; I160-K162 PolarHBondContact O-N 3.2Å; I160-A163 PolarHBondContact O-N 2.56Å; I160-A164 WeakPolarHBondContact O-CB 3.28Å; I160-A164 PolarHBondContact O-N 3.47Å
161	Y	98.8	Very high	98.3	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-60.3	-41.7	178.8	-67.8	-12.5	0	0	0	111.9	L142 M153 P154 S156 N158 A165 N200	L142-Y161 HydrophobicContact CD1-CD1 3.63Å; L142-Y161 HydrophobicContact CD1-CE1 3.74Å; M153-Y161 HydrophobicContact CE-CD1 4.42Å; M153-Y161 HydrophobicContact CE-CE1 3.56Å; M153-Y161 HydrophobicContact SD-CD1 4.39Å; M153-Y161 HydrophobicContact SD-CE1 3.31Å; M153-Y161 WeakPolarHBondContact SD-CE1 3.49Å; M153-Y161 VanDerWaalsContact SD-CZ 3.59Å; M153-Y161 PolarHBondContact SD-OH 2.8Å; P154-Y161 WeakPolarHBondContact O-CE2 3.37Å; P154-Y161 PolarHBondContact O-OH 2.86Å; S156-Y161 WeakPolarHBondContact O-CE2 3.47Å; N158-Y161 WeakPolarHBondContact ND2-CD2 3.18Å; N158-Y161 WeakPolarHBondContact ND2-CE2 3.34Å; N158-Y161 PolarHBondContact O-N 3.02Å; N158-Y161 PolarHBondContact OD1-N 2.72Å; Y161-A165 WeakPolarHBondContact O-CB 3.46Å; Y161-A165 PolarHBondContact O-N 3.05Å; Y161-N200 PolarHBondContact OH-ND2 3.24Å
162	K	98.8	Very high	98.3	Very high	104 Å²	104	44.6 Å²	44.6	45%	0.452	24%	0.237	S	C	.	.	H	α-helix	trans	-65.9	-42.3	175.8	-69.4	171.1	-169.3	166.4	0	111.7	T157 N158 I160 A165 A166	T157-K162 VanDerWaalsContact OG1-CE 3.3Å; T157-K162 WeakPolarHBondContact OG1-CE 3.06Å; N158-K162 VanDerWaalsContact O-CG 3.3Å; N158-K162 WeakPolarHBondContact O-CG 3.4Å; N158-K162 PolarHBondContact O-N 3.02Å; I160-K162 VanDerWaalsContact C-N 3.31Å; I160-K162 PolarHBondContact O-N 3.2Å; K162-A165 PolarHBondContact O-N 3.34Å; K162-A166 WeakPolarHBondContact O-CB 3.37Å; K162-A166 PolarHBondContact O-N 2.83Å
163	A	98.8	Very high	98.4	Very high	18 Å²	18	48.6 Å²	48.6	15%	0.149	26%	0.255	C	S	.	.	H	α-helix	trans	-64.8	-46.4	177.4	0	0	0	0	0	111.6	I119 D159 I160 A165 A166 L167	I119-A163 HydrophobicContact CD1-CB 3.84Å; I119-A163 HydrophobicContact CG1-CB 3.86Å; I119-A163 HydrophobicContact CG2-CB 3.87Å; D159-A163 WeakPolarHBondContact O-CB 3.49Å; D159-A163 PolarHBondContact O-N 2.86Å; I160-A163 PolarHBondContact O-N 2.56Å; A163-A165 PolarHBondContact O-N 3.45Å; A163-A166 PolarHBondContact O-N 2.82Å; A163-A166 VanDerWaalsContact O-N 3.14Å; A163-L167 WeakPolarHBondContact O-CB 3.47Å; A163-L167 VanDerWaalsContact O-CG 3.23Å; A163-L167 WeakPolarHBondContact O-CG 3.3Å; A163-L167 PolarHBondContact O-N 2.95Å
164	A	98.8	Very high	98.4	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.008	28%	0.283	C	S	.	.	H	α-helix	trans	-57.3	-47.3	174.9	0	0	0	0	0	111.4	L142 I160 A166 L167 W168	L142-A164 HydrophobicContact CD2-CB 4.25Å; I160-A164 WeakPolarHBondContact O-CB 3.28Å; I160-A164 PolarHBondContact O-N 3.47Å; A164-A166 VanDerWaalsContact C-N 3.33Å; A164-A166 PolarHBondContact O-N 3.31Å; A164-L167 PolarHBondContact O-N 2.79Å; A164-W168 HydrophobicContact CB-CD2 4.22Å; A164-W168 HydrophobicContact CB-CE3 3.97Å; A164-W168 HydrophobicContact CB-CH2 3.92Å; A164-W168 HydrophobicContact CB-CZ2 4.15Å; A164-W168 HydrophobicContact CB-CZ3 3.82Å; A164-W168 VanDerWaalsContact O-CB 3.31Å; A164-W168 WeakPolarHBondContact O-CB 3.34Å; A164-W168 PolarHBondContact O-N 2.79Å
165	A	98.8	Very high	98.5	Very high	12 Å²	12	58.3 Å²	58.3	10%	0.099	31%	0.307	C	S	.	.	H	α-helix	trans	-61	-39.1	175.3	0	0	0	0	0	112.7	Y161 K162 A163 K169 L177 L180	Y161-A165 WeakPolarHBondContact O-CB 3.46Å; Y161-A165 PolarHBondContact O-N 3.05Å; K162-A165 PolarHBondContact O-N 3.34Å; A163-A165 PolarHBondContact O-N 3.45Å; A165-K169 PolarHBondContact O-N 2.83Å; A165-L177 HydrophobicContact CB-CD2 4.27Å; A165-L177 VanDerWaalsContact O-CD2 3.24Å; A165-L177 WeakPolarHBondContact O-CD2 3.32Å; A165-L180 HydrophobicContact CB-CD2 4.01Å; A165-L180 HydrophobicContact CB-CG 4.21Å
166	A	98.8	Very high	98.6	Very high	72 Å²	72	55.6 Å²	55.6	60%	0.595	29%	0.293	S	S	*	.	H	α-helix	trans	-66.8	-44.4	176	0	0	0	0	0	112.4	K162 A163 A164 K169	K162-A166 WeakPolarHBondContact O-CB 3.37Å; K162-A166 PolarHBondContact O-N 2.83Å; A163-A166 PolarHBondContact O-N 2.82Å; A163-A166 VanDerWaalsContact O-N 3.14Å; A164-A166 VanDerWaalsContact C-N 3.33Å; A164-A166 PolarHBondContact O-N 3.31Å; A166-K169 WeakPolarHBondContact O-CB 3.45Å
167	L	98.9	Very high	98.6	Very high	44 Å²	44	53.8 Å²	53.8	23%	0.23	28%	0.278	C	S	.	.	H	α-helix	trans	-66.5	-38.5	-179.4	-71.8	169.7	0	0	0	112.1	I122 T126 A163 A164	I122-L167 HydrophobicContact CG2-CD1 3.98Å; T126-L167 HydrophobicContact CG2-CB 4.28Å; A163-L167 WeakPolarHBondContact O-CB 3.47Å; A163-L167 VanDerWaalsContact O-CG 3.23Å; A163-L167 WeakPolarHBondContact O-CG 3.3Å; A163-L167 PolarHBondContact O-N 2.95Å; A164-L167 PolarHBondContact O-N 2.79Å
168	W	98.8	Very high	98.6	Very high	2 Å²	2	53.8 Å²	53.8	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-94.8	4.9	-173.5	-53.8	-22.5	0	0	0	113.8	W100 I122 T126 P140 L142 A164 R170 W171 L172 L180	W100-W168 HydrophobicContact CZ3-CZ2 4.42Å; W100-W168 AromaticContact CZ3-NE1 3.93Å; I122-W168 HydrophobicContact CG2-CZ2 4.23Å; T126-W168 PolarHBondContact OG1-NE1 3.21Å; P140-W168 HydrophobicContact CB-CD2 3.96Å; P140-W168 HydrophobicContact CB-CE3 3.95Å; P140-W168 HydrophobicContact CB-CH2 3.76Å; P140-W168 HydrophobicContact CB-CZ2 3.77Å; P140-W168 HydrophobicContact CB-CZ3 3.85Å; P140-W168 HydrophobicContact CG-CB 4.29Å; P140-W168 HydrophobicContact CG-CD2 3.28Å; P140-W168 HydrophobicContact CG-CE3 3.25Å; P140-W168 HydrophobicContact CG-CG 3.74Å; P140-W168 HydrophobicContact CG-CH2 4.03Å; P140-W168 HydrophobicContact CG-CZ2 4.06Å; P140-W168 HydrophobicContact CG-CZ3 3.65Å; L142-W168 HydrophobicContact CD2-CH2 3.57Å; L142-W168 HydrophobicContact CD2-CZ2 4.25Å; L142-W168 HydrophobicContact CD2-CZ3 4.4Å; L142-W168 HydrophobicContact CG-CH2 3.82Å; L142-W168 HydrophobicContact CG-CZ3 4.29Å; A164-W168 HydrophobicContact CB-CD2 4.22Å; A164-W168 HydrophobicContact CB-CE3 3.97Å; A164-W168 HydrophobicContact CB-CH2 3.92Å; A164-W168 HydrophobicContact CB-CZ2 4.15Å; A164-W168 HydrophobicContact CB-CZ3 3.82Å; A164-W168 VanDerWaalsContact O-CB 3.31Å; A164-W168 WeakPolarHBondContact O-CB 3.34Å; A164-W168 PolarHBondContact O-N 2.79Å; W168-R170 PolarHBondContact O-N 2.9Å; W168-W171 HydrophobicContact CB-CE3 4.01Å; W168-W171 AromaticContact CD1-CE3 3.87Å; W168-W171 AromaticContact CD1-CZ3 3.48Å; W168-W171 VanDerWaalsContact CD1-CZ3 3.48Å; W168-W171 HydrophobicContact CG-CE3 4.08Å; W168-W171 HydrophobicContact CG-CZ3 4.11Å; W168-W171 PolarHBondContact O-N 3.44Å; W168-L172 HydrophobicContact CB-CD1 4.02Å; W168-L172 HydrophobicContact CB-CG 4.38Å; W168-L172 PolarHBondContact O-N 3.42Å; W168-L172 VanDerWaalsContact O-N 3.12Å; W168-L180 HydrophobicContact CE3-CD1 4.21Å; W168-L180 HydrophobicContact CE3-CD2 3.48Å; W168-L180 VanDerWaalsContact CE3-CD2 3.48Å; W168-L180 HydrophobicContact CE3-CG 4.47Å; W168-L180 HydrophobicContact CZ3-CD1 3.86Å; W168-L180 HydrophobicContact CZ3-CD2 4.01Å
169	K	98.4	Very high	98.6	Very high	152 Å²	152	54.3 Å²	54.3	66%	0.661	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-27.8	177.3	-178.5	174.9	-179.1	-176.9	0	114.3	A165 A166 W171 L177	A165-K169 PolarHBondContact O-N 2.83Å; A166-K169 WeakPolarHBondContact O-CB 3.45Å; K169-W171 VanDerWaalsContact C-N 3.27Å; K169-W171 PolarHBondContact O-N 3.41Å; K169-L177 HydrophobicContact CB-CD1 4.03Å; K169-L177 HydrophobicContact CG-CD1 3.79Å
170	R	97.6	Very high	98.7	Very high	134 Å²	134	49.3 Å²	49.3	51%	0.506	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.8	177.5	65.6	166.8	-64.7	137.9	-1.5	113.9	P134 W168	P134-R170 PolarHBondContact O-NH2 3.45Å; W168-R170 PolarHBondContact O-N 2.9Å
171	W	98.7	Very high	98.7	Very high	11 Å²	11	50.7 Å²	50.7	4%	0.042	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-23.2	-177.2	-56.9	-45.5	0	0	0	112.4	T126 I129 T130 T137 V138 P140 W168 K169 Q188	T126-W171 HydrophobicContact CG2-CH2 3.65Å; T126-W171 HydrophobicContact CG2-CZ2 4.43Å; T126-W171 HydrophobicContact CG2-CZ3 3.96Å; I129-W171 HydrophobicContact CG2-CH2 4.43Å; I129-W171 HydrophobicContact CG2-CZ2 4.3Å; T130-W171 WeakPolarHBondContact OG1-CZ2 3.48Å; T137-W171 HydrophobicContact CG2-CB 4.22Å; V138-W171 HydrophobicContact CB-CD2 3.66Å; V138-W171 HydrophobicContact CB-CE3 3.82Å; V138-W171 HydrophobicContact CB-CG 4.18Å; V138-W171 HydrophobicContact CB-CH2 3.97Å; V138-W171 HydrophobicContact CB-CZ2 3.84Å; V138-W171 HydrophobicContact CB-CZ3 3.96Å; V138-W171 HydrophobicContact CG1-CE3 4.44Å; V138-W171 HydrophobicContact CG1-CH2 4.3Å; V138-W171 HydrophobicContact CG1-CZ3 4.22Å; V138-W171 HydrophobicContact CG2-CD2 4.13Å; V138-W171 HydrophobicContact CG2-CH2 4.08Å; V138-W171 HydrophobicContact CG2-CZ2 3.57Å; V138-W171 VanDerWaalsContact O-CB 3.23Å; V138-W171 WeakPolarHBondContact O-CB 3.22Å; P140-W171 HydrophobicContact CG-CE3 4.34Å; P140-W171 HydrophobicContact CG-CZ3 4.46Å; W168-W171 HydrophobicContact CB-CE3 4.01Å; W168-W171 AromaticContact CD1-CE3 3.87Å; W168-W171 AromaticContact CD1-CZ3 3.48Å; W168-W171 VanDerWaalsContact CD1-CZ3 3.48Å; W168-W171 HydrophobicContact CG-CE3 4.08Å; W168-W171 HydrophobicContact CG-CZ3 4.11Å; W168-W171 PolarHBondContact O-N 3.44Å; K169-W171 VanDerWaalsContact C-N 3.27Å; K169-W171 PolarHBondContact O-N 3.41Å; W171-Q188 PolarHBondContact O-NE2 2.91Å
172	L	98.8	Very high	98.6	Very high	8 Å²	8	56 Å²	56	4%	0.042	29%	0.289	C	S	.	.	S	Bend	trans	-114.5	141.3	-168.8	-57	-178.1	0	0	0	113.8	F139 W168 A176 L177 L180 Y186 Q188	F139-L172 HydrophobicContact CD1-CD2 4.37Å; W168-L172 HydrophobicContact CB-CD1 4.02Å; W168-L172 HydrophobicContact CB-CG 4.38Å; W168-L172 PolarHBondContact O-N 3.42Å; W168-L172 VanDerWaalsContact O-N 3.12Å; L172-A176 HydrophobicContact CB-CB 4.24Å; L172-L177 HydrophobicContact CB-CD2 3.68Å; L172-L177 HydrophobicContact CB-CG 3.94Å; L172-L177 HydrophobicContact CD1-CD2 4.14Å; L172-L177 HydrophobicContact CG-CD2 4.47Å; L172-L180 HydrophobicContact CD1-CD2 3.83Å; L172-Y186 HydrophobicContact CD1-CD1 4.22Å; L172-Y186 HydrophobicContact CD1-CD2 4.4Å; L172-Y186 HydrophobicContact CD1-CE1 3.86Å; L172-Y186 HydrophobicContact CD1-CE2 4.08Å; L172-Y186 HydrophobicContact CD1-CG 4.48Å; L172-Y186 HydrophobicContact CD2-CD2 4.17Å; L172-Y186 HydrophobicContact CD2-CE2 3.44Å; L172-Y186 VanDerWaalsContact CD2-CE2 3.44Å; L172-Y186 HydrophobicContact CG-CE2 4.41Å; L172-Q188 VanDerWaalsContact CD2-OE1 3.28Å
173	E	98.6	Very high	98.6	Very high	125 Å²	125	51.1 Å²	51.1	58%	0.584	27%	0.269	S	S	*	.			trans	-73.4	156.9	176	-70.4	-62.3	154.7	0	0	112	E175 A176 L177	E173-E175 VanDerWaalsContact C-N 3.28Å; E173-E175 PolarHBondContact O-N 2.89Å; E173-E175 VanDerWaalsContact O-N 3.13Å; E173-A176 WeakPolarHBondContact O-CB 3.47Å; E173-A176 PolarHBondContact O-N 3.18Å; E173-L177 WeakPolarHBondContact O-CG 3.46Å; E173-L177 PolarHBondContact O-N 2.82Å
174	P	98.6	Very high	98.6	Very high	90 Å²	90	50.3 Å²	50.3	58%	0.584	26%	0.262	S	S	*	.	H	α-helix	trans	-54.1	-36.2	-176.1	-29	35.9	0	0	0	115.5	L177 T178	P174-L177 PolarHBondContact O-N 2.93Å; P174-T178 PolarHBondContact O-N 3.09Å; P174-T178 PolarHBondContact O-OG1 2.81Å
175	E	98.1	Very high	98.6	Very high	136 Å²	136	50.9 Å²	50.9	64%	0.636	26%	0.264	S	S	*	.	H	α-helix	trans	-65.5	-43.9	177.1	-172.4	179.3	-178.3	0	0	111.3	E173 T178 T179	E173-E175 VanDerWaalsContact C-N 3.28Å; E173-E175 PolarHBondContact O-N 2.89Å; E173-E175 VanDerWaalsContact O-N 3.13Å; E175-T178 WeakPolarHBondContact O-CB 3.44Å; E175-T178 PolarHBondContact O-N 2.95Å; E175-T179 PolarHBondContact O-N 3.46Å
176	A	98.8	Very high	98.6	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.017	26%	0.26	C	S	.	.	H	α-helix	trans	-64.7	-42.8	176.7	0	0	0	0	0	111.7	L172 E173 T178 T179 L180 Y186	L172-A176 HydrophobicContact CB-CB 4.24Å; E173-A176 WeakPolarHBondContact O-CB 3.47Å; E173-A176 PolarHBondContact O-N 3.18Å; A176-T178 PolarHBondContact O-N 2.87Å; A176-T179 PolarHBondContact O-N 2.83Å; A176-T179 PolarHBondContact O-OG1 2.95Å; A176-L180 WeakPolarHBondContact O-CB 3.28Å; A176-L180 PolarHBondContact O-N 3.28Å; A176-Y186 HydrophobicContact CB-CD2 3.72Å; A176-Y186 HydrophobicContact CB-CG 4.03Å; A176-Y186 WeakPolarHBondContact O-CB 3.5Å
177	L	98.9	Very high	98.6	Very high	25 Å²	25	47.8 Å²	47.8	13%	0.131	24%	0.238	C	C	.	.	H	α-helix	trans	-60.7	-35.2	175.3	-66.8	176.2	0	0	0	112.6	A165 K169 L172 E173 P174 L180 S181	A165-L177 HydrophobicContact CB-CD2 4.27Å; A165-L177 VanDerWaalsContact O-CD2 3.24Å; A165-L177 WeakPolarHBondContact O-CD2 3.32Å; K169-L177 HydrophobicContact CB-CD1 4.03Å; K169-L177 HydrophobicContact CG-CD1 3.79Å; L172-L177 HydrophobicContact CB-CD2 3.68Å; L172-L177 HydrophobicContact CB-CG 3.94Å; L172-L177 HydrophobicContact CD1-CD2 4.14Å; L172-L177 HydrophobicContact CG-CD2 4.47Å; E173-L177 WeakPolarHBondContact O-CG 3.46Å; E173-L177 PolarHBondContact O-N 2.82Å; P174-L177 PolarHBondContact O-N 2.93Å; L177-L180 HydrophobicContact CD2-CD2 4.47Å; L177-S181 WeakPolarHBondContact O-CB 3.45Å; L177-S181 PolarHBondContact O-N 3.29Å; L177-S181 PolarHBondContact O-OG 2.81Å
178	T	98.6	Very high	98.6	Very high	71 Å²	71	46.5 Å²	46.5	44%	0.436	23%	0.23	S	C	.	.	H	α-helix	trans	-64.7	-53.7	179.1	-60	0	0	0	0	110.8	P174 E175 A176 L180 S181 Q182	P174-T178 PolarHBondContact O-N 3.09Å; P174-T178 PolarHBondContact O-OG1 2.81Å; E175-T178 WeakPolarHBondContact O-CB 3.44Å; E175-T178 PolarHBondContact O-N 2.95Å; A176-T178 PolarHBondContact O-N 2.87Å; T178-L180 VanDerWaalsContact C-N 3.34Å; T178-L180 PolarHBondContact O-N 2.85Å; T178-S181 PolarHBondContact O-N 3.16Å; T178-S181 PolarHBondContact O-OG 2.8Å; T178-Q182 WeakPolarHBondContact O-CG 3.3Å; T178-Q182 PolarHBondContact O-N 3.1Å
179	T	98.5	Very high	98.6	Very high	26 Å²	26	50 Å²	50	16%	0.16	25%	0.249	C	C	.	.	H	α-helix	trans	-67.5	-36.6	-179.7	60	0	0	0	0	111.8	E175 A176 S181 Q182 G183 F185 Y186	E175-T179 PolarHBondContact O-N 3.46Å; A176-T179 PolarHBondContact O-N 2.83Å; A176-T179 PolarHBondContact O-OG1 2.95Å; T179-S181 VanDerWaalsContact C-N 3.35Å; T179-S181 PolarHBondContact O-N 3.25Å; T179-Q182 PolarHBondContact O-N 3.11Å; T179-Q182 VanDerWaalsContact O-N 3.09Å; T179-G183 PolarHBondContact O-N 2.9Å; T179-F185 CarbonylContact C-O 3.6Å; T179-F185 VanDerWaalsContact CB-O 3.31Å; T179-F185 WeakPolarHBondContact CB-O 3.49Å; T179-F185 PolarHBondContact OG1-O 3.39Å; T179-Y186 WeakPolarHBondContact OG1-CA 3.38Å; T179-Y186 WeakPolarHBondContact OG1-CB 3.41Å
180	L	98.9	Very high	98.5	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.005	23%	0.227	C	C	.	.	H	α-helix	trans	-57.9	-47.4	174.9	173.8	63.6	0	0	0	111.2	A165 W168 L172 A176 L177 T178 Q182 G184 F185 Y186	A165-L180 HydrophobicContact CB-CD2 4.01Å; A165-L180 HydrophobicContact CB-CG 4.21Å; W168-L180 HydrophobicContact CE3-CD1 4.21Å; W168-L180 HydrophobicContact CE3-CD2 3.48Å; W168-L180 VanDerWaalsContact CE3-CD2 3.48Å; W168-L180 HydrophobicContact CE3-CG 4.47Å; W168-L180 HydrophobicContact CZ3-CD1 3.86Å; W168-L180 HydrophobicContact CZ3-CD2 4.01Å; L172-L180 HydrophobicContact CD1-CD2 3.83Å; A176-L180 WeakPolarHBondContact O-CB 3.28Å; A176-L180 PolarHBondContact O-N 3.28Å; L177-L180 HydrophobicContact CD2-CD2 4.47Å; T178-L180 VanDerWaalsContact C-N 3.34Å; T178-L180 PolarHBondContact O-N 2.85Å; L180-Q182 PolarHBondContact O-N 3.09Å; L180-G184 WeakPolarHBondContact O-CA 3.41Å; L180-G184 PolarHBondContact O-N 3.26Å; L180-F185 WeakPolarHBondContact CA-O 3.22Å; L180-F185 PolarHBondContact N-O 3.37Å; L180-F185 VanDerWaalsContact N-O 3.09Å; L180-Y186 HydrophobicContact CB-CD1 4.24Å; L180-Y186 HydrophobicContact CD1-CD1 4.22Å
181	S	98.7	Very high	98.4	Very high	30 Å²	30	40.8 Å²	40.8	21%	0.21	22%	0.215	C	C	.	.	H	α-helix	trans	-66.6	-19	179.1	74.1	0	0	0	0	114.1	T157 L177 T178 T179	T157-S181 VanDerWaalsContact CB-O 3.31Å; T157-S181 WeakPolarHBondContact CB-O 3.13Å; T157-S181 PolarHBondContact OG1-O 3.4Å; L177-S181 WeakPolarHBondContact O-CB 3.45Å; L177-S181 PolarHBondContact O-N 3.29Å; L177-S181 PolarHBondContact O-OG 2.81Å; T178-S181 PolarHBondContact O-N 3.16Å; T178-S181 PolarHBondContact O-OG 2.8Å; T179-S181 VanDerWaalsContact C-N 3.35Å; T179-S181 PolarHBondContact O-N 3.25Å
182	Q	98.2	Very high	98.3	Very high	112 Å²	112	45.5 Å²	45.5	52%	0.523	25%	0.247	S	C	.	.	H	α-helix	trans	-94.2	-39.1	-177.3	-72.3	174	-4.5	0	0	113	S156 T157 T178 T179 L180	S156-Q182 CarbonylContact C-O 3.54Å; T157-Q182 PolarHBondContact N-O 2.66Å; T178-Q182 WeakPolarHBondContact O-CG 3.3Å; T178-Q182 PolarHBondContact O-N 3.1Å; T179-Q182 PolarHBondContact O-N 3.11Å; T179-Q182 VanDerWaalsContact O-N 3.09Å; L180-Q182 PolarHBondContact O-N 3.09Å
183	G	98.2	Very high	98.3	Very high	2 Å²	2	46.3 Å²	46.3	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-144.5	6	-172.7	0	0	0	0	0	115.9	T179 F185 N200	T179-G183 PolarHBondContact O-N 2.9Å; G183-F185 VanDerWaalsContact C-N 3.3Å; G183-F185 VanDerWaalsContact O-CD1 3.26Å; G183-F185 WeakPolarHBondContact O-CD1 3.36Å; G183-F185 PolarHBondContact O-N 3.15Å; G183-N200 PolarHBondContact O-ND2 3.5Å
184	G	98.6	Very high	98.3	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.01	23%	0.229	C	C	.	.	S	Bend	trans	78.8	7.3	178.1	0	0	0	0	0	115.2	L180	L180-G184 WeakPolarHBondContact O-CA 3.41Å; L180-G184 PolarHBondContact O-N 3.26Å
185	F	98.9	Very high	98.3	Very high	12 Å²	12	37.5 Å²	37.5	5%	0.053	21%	0.207	C	C	.	.			trans	-129.3	156.6	-178.9	60.9	-99	0	0	0	112.1	T179 L180 G183 S198 N200 A218 Q220 W223	T179-F185 CarbonylContact C-O 3.6Å; T179-F185 VanDerWaalsContact CB-O 3.31Å; T179-F185 WeakPolarHBondContact CB-O 3.49Å; T179-F185 PolarHBondContact OG1-O 3.39Å; L180-F185 WeakPolarHBondContact CA-O 3.22Å; L180-F185 PolarHBondContact N-O 3.37Å; L180-F185 VanDerWaalsContact N-O 3.09Å; G183-F185 VanDerWaalsContact C-N 3.3Å; G183-F185 VanDerWaalsContact O-CD1 3.26Å; G183-F185 WeakPolarHBondContact O-CD1 3.36Å; G183-F185 PolarHBondContact O-N 3.15Å; F185-S198 CarbonylContact C-O 3.51Å; F185-S198 VanDerWaalsContact CA-O 3.23Å; F185-S198 WeakPolarHBondContact CA-O 3.36Å; F185-S198 WeakPolarHBondContact CB-O 3.4Å; F185-N200 HydrophobicContact CB-CB 4.28Å; F185-N200 HydrophobicContact CD1-CB 4.47Å; F185-A218 HydrophobicContact CE1-CB 3.82Å; F185-Q220 HydrophobicContact CD1-CB 3.98Å; F185-Q220 HydrophobicContact CD1-CG 3.79Å; F185-Q220 HydrophobicContact CD2-CG 4.44Å; F185-Q220 HydrophobicContact CE1-CB 3.69Å; F185-Q220 HydrophobicContact CE1-CG 4Å; F185-Q220 HydrophobicContact CG-CG 4.04Å; F185-Q220 HydrophobicContact CZ-CB 4.11Å; F185-Q220 HydrophobicContact CZ-CG 4.42Å; F185-W223 AromaticContact CD2-CD2 3.61Å; F185-W223 HydrophobicContact CD2-CD2 3.61Å; F185-W223 AromaticContact CD2-CE2 3.82Å; F185-W223 AromaticContact CD2-CE3 3.56Å; F185-W223 HydrophobicContact CD2-CE3 3.56Å; F185-W223 HydrophobicContact CD2-CG 4.27Å; F185-W223 AromaticContact CD2-CH2 3.96Å; F185-W223 HydrophobicContact CD2-CH2 3.96Å; F185-W223 HydrophobicContact CD2-CZ2 4Å; F185-W223 AromaticContact CD2-CZ3 3.74Å; F185-W223 HydrophobicContact CD2-CZ3 3.74Å; F185-W223 HydrophobicContact CE2-CB 4.11Å; F185-W223 AromaticContact CE2-CD1 3.98Å; F185-W223 AromaticContact CE2-CD2 3.42Å; F185-W223 HydrophobicContact CE2-CD2 3.42Å; F185-W223 VanDerWaalsContact CE2-CD2 3.42Å; F185-W223 AromaticContact CE2-CE2 3.82Å; F185-W223 AromaticContact CE2-CE3 3.74Å; F185-W223 HydrophobicContact CE2-CE3 3.74Å; F185-W223 AromaticContact CE2-CG 3.58Å; F185-W223 HydrophobicContact CE2-CG 3.58Å; F185-W223 HydrophobicContact CE2-CZ2 4.46Å; F185-W223 HydrophobicContact CE2-CZ3 4.38Å; F185-W223 HydrophobicContact CG-CE3 4.46Å; F185-W223 HydrophobicContact CG-CZ3 4.46Å; F185-W223 HydrophobicContact CZ-CG 4.41Å
186	Y	98.9	Very high	98.3	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	169.1	178.7	67.2	-88.2	0	0	0	113.6	F139 P140 L172 A176 T179 L180 Q188 L196 S198 W223	F139-Y186 WeakPolarHBondContact CA-OH 3.06Å; P140-Y186 VanDerWaalsContact CD-OH 3.28Å; P140-Y186 WeakPolarHBondContact CD-OH 3.23Å; P140-Y186 VanDerWaalsContact N-OH 3.14Å; P140-Y186 WeakPolarHBondContact O-CE1 3.42Å; P140-Y186 PolarHBondContact O-OH 2.88Å; L172-Y186 HydrophobicContact CD1-CD1 4.22Å; L172-Y186 HydrophobicContact CD1-CD2 4.4Å; L172-Y186 HydrophobicContact CD1-CE1 3.86Å; L172-Y186 HydrophobicContact CD1-CE2 4.08Å; L172-Y186 HydrophobicContact CD1-CG 4.48Å; L172-Y186 HydrophobicContact CD2-CD2 4.17Å; L172-Y186 HydrophobicContact CD2-CE2 3.44Å; L172-Y186 VanDerWaalsContact CD2-CE2 3.44Å; L172-Y186 HydrophobicContact CG-CE2 4.41Å; A176-Y186 HydrophobicContact CB-CD2 3.72Å; A176-Y186 HydrophobicContact CB-CG 4.03Å; A176-Y186 WeakPolarHBondContact O-CB 3.5Å; T179-Y186 WeakPolarHBondContact OG1-CA 3.38Å; T179-Y186 WeakPolarHBondContact OG1-CB 3.41Å; L180-Y186 HydrophobicContact CB-CD1 4.24Å; L180-Y186 HydrophobicContact CD1-CD1 4.22Å; Y186-Q188 HydrophobicContact CD2-CB 4.4Å; Y186-Q188 HydrophobicContact CE2-CB 4.37Å; Y186-L196 HydrophobicContact CE2-CD2 4.28Å; Y186-S198 VanDerWaalsContact CZ-CB 3.49Å; Y186-S198 PolarHBondContact N-O 3.38Å; Y186-S198 PolarHBondContact O-N 3.14Å; Y186-W223 WeakPolarHBondContact O-CH2 3.31Å
187	S	98.9	Very high	98.3	Very high	19 Å²	19	30.9 Å²	30.9	13%	0.133	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.1	167.2	88.9	0	0	0	0	110.9	R195 L196	S187-R195 PolarHBondContact OG-NH1 3.32Å; S187-R195 VanDerWaalsContact OG-NH1 3.11Å; S187-L196 CarbonylContact C-O 3.57Å; S187-L196 VanDerWaalsContact CA-O 3.22Å; S187-L196 WeakPolarHBondContact CA-O 3.43Å
188	Q	98.7	Very high	98.3	Very high	17 Å²	17	29.8 Å²	29.8	8%	0.079	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	141.4	174.5	-175.8	154.5	-45.3	0	0	111.4	F139 W171 L172 Y186 V190 R195 L196	F139-Q188 HydrophobicContact CD1-CB 4.48Å; F139-Q188 HydrophobicContact CE1-CB 4.07Å; F139-Q188 HydrophobicContact CE1-CG 3.93Å; W171-Q188 PolarHBondContact O-NE2 2.91Å; L172-Q188 VanDerWaalsContact CD2-OE1 3.28Å; Y186-Q188 HydrophobicContact CD2-CB 4.4Å; Y186-Q188 HydrophobicContact CE2-CB 4.37Å; Q188-V190 PolarHBondContact O-N 3.14Å; Q188-R195 CarbonylContact O-C 3.57Å; Q188-R195 WeakPolarHBondContact O-CA 3.22Å; Q188-L196 PolarHBondContact N-O 3.47Å; Q188-L196 PolarHBondContact O-N 2.98Å
189	L	98.4	Very high	98.3	Very high	77 Å²	77	26.4 Å²	26.4	40%	0.403	15%	0.149	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	117.7	168.9	-168.5	72.1	0	0	0	108.5	K191 L194 E236	L189-K191 VanDerWaalsContact CD1-O 3.32Å; L189-K191 WeakPolarHBondContact CD1-O 3.28Å; L189-K191 WeakPolarHBondContact CG-O 3.41Å; L189-L194 WeakPolarHBondContact CD1-O 3.06Å; L189-E236 WeakPolarHBondContact CD1-OE1 3.41Å
190	V	97.8	Very high	98.4	Very high	31 Å²	31	25.2 Å²	25.2	19%	0.188	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	-45.2	176.9	-180	0	0	0	0	109.4	F97 F139 Q188 L194 L196	F97-V190 HydrophobicContact CD1-CG1 3.85Å; F97-V190 HydrophobicContact CE1-CG1 3.85Å; F97-V190 HydrophobicContact CG-CG1 4.22Å; F97-V190 HydrophobicContact CZ-CG1 4.22Å; F139-V190 HydrophobicContact CE1-CG2 4.22Å; F139-V190 HydrophobicContact CE2-CB 4.37Å; F139-V190 HydrophobicContact CE2-CG1 3.88Å; F139-V190 HydrophobicContact CE2-CG2 3.93Å; F139-V190 HydrophobicContact CZ-CB 4.11Å; F139-V190 HydrophobicContact CZ-CG1 4.01Å; F139-V190 HydrophobicContact CZ-CG2 3.74Å; Q188-V190 PolarHBondContact O-N 3.14Å; V190-L194 HydrophobicContact CB-CD2 4.22Å; V190-L194 HydrophobicContact CB-CG 4.22Å; V190-L194 HydrophobicContact CG1-CD2 4.32Å; V190-L194 HydrophobicContact CG2-CG 4.39Å; V190-L194 PolarHBondContact N-O 3.49Å; V190-L196 HydrophobicContact CG2-CB 3.56Å; V190-L196 HydrophobicContact CG2-CD1 4.49Å
191	K	95.7	Very high	98.4	Very high	61 Å²	61	25.2 Å²	25.2	27%	0.265	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.9	168.7	176.9	56.2	173.9	159.1	176.2	0	109.1	L189 G193 L194 Y331 N333 Y336	L189-K191 VanDerWaalsContact CD1-O 3.32Å; L189-K191 WeakPolarHBondContact CD1-O 3.28Å; L189-K191 WeakPolarHBondContact CG-O 3.41Å; K191-G193 PolarHBondContact O-N 3.32Å; K191-G193 VanDerWaalsContact O-N 3.14Å; K191-L194 HydrophobicContact CG-CB 4.05Å; K191-L194 HydrophobicContact CG-CD2 4.49Å; K191-L194 PolarHBondContact N-O 3.02Å; K191-L194 PolarHBondContact O-N 3.33Å; K191-L194 VanDerWaalsContact O-O 3.11Å; K191-Y331 WeakPolarHBondContact CE-OH 3.39Å; K191-Y331 PolarHBondContact NZ-OH 3.09Å; K191-N333 PolarHBondContact NZ-OD1 3.48Å; K191-Y336 HydrophobicContact CD-CE1 4.49Å
192	P	95.8	Very high	98.4	Very high	110 Å²	110	23.8 Å²	23.8	71%	0.714	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.5	126.4	178.2	-28.3	36.4	0	0	0	111.1	L194 Y336	P192-L194 VanDerWaalsContact C-N 3.35Å; P192-L194 PolarHBondContact O-N 3.26Å; P192-Y336 PolarHBondContact O-OH 2.9Å
193	G	97.7	Very high	98.4	Very high	24 Å²	24	18.4 Å²	18.4	25%	0.247	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.4	-8.5	179.4	0	0	0	0	0	116.5	K191 E236 K237 Y336	K191-G193 PolarHBondContact O-N 3.32Å; K191-G193 VanDerWaalsContact O-N 3.14Å; G193-E236 CarbonylContact O-C 3.51Å; G193-E236 WeakPolarHBondContact O-CA 3.2Å; G193-K237 PolarHBondContact O-N 2.78Å; G193-Y336 VanDerWaalsContact O-CE2 3.31Å; G193-Y336 WeakPolarHBondContact O-CE2 3.34Å
194	L	98.7	Very high	98.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	117.1	178.3	179.5	63.3	0	0	0	111.6	L189 V190 K191 P192 K237 Y239 Y336	L189-L194 WeakPolarHBondContact CD1-O 3.06Å; V190-L194 HydrophobicContact CB-CD2 4.22Å; V190-L194 HydrophobicContact CB-CG 4.22Å; V190-L194 HydrophobicContact CG1-CD2 4.32Å; V190-L194 HydrophobicContact CG2-CG 4.39Å; V190-L194 PolarHBondContact N-O 3.49Å; K191-L194 HydrophobicContact CG-CB 4.05Å; K191-L194 HydrophobicContact CG-CD2 4.49Å; K191-L194 PolarHBondContact N-O 3.02Å; K191-L194 PolarHBondContact O-N 3.33Å; K191-L194 VanDerWaalsContact O-O 3.11Å; P192-L194 VanDerWaalsContact C-N 3.35Å; P192-L194 PolarHBondContact O-N 3.26Å; L194-K237 WeakPolarHBondContact CA-O 3.46Å; L194-Y239 HydrophobicContact CD1-CD1 4.21Å; L194-Y239 HydrophobicContact CD1-CD2 3.97Å; L194-Y239 HydrophobicContact CD1-CE1 4.41Å; L194-Y239 HydrophobicContact CD1-CE2 4.16Å; L194-Y239 HydrophobicContact CD1-CG 3.99Å; L194-Y239 HydrophobicContact CD2-CD2 4.04Å; L194-Y239 HydrophobicContact CD2-CE2 3.86Å; L194-Y239 HydrophobicContact CG-CD2 4.47Å; L194-Y336 HydrophobicContact CB-CD1 3.88Å; L194-Y336 HydrophobicContact CB-CD2 4.41Å; L194-Y336 HydrophobicContact CB-CE1 3.77Å; L194-Y336 HydrophobicContact CB-CE2 4.32Å; L194-Y336 HydrophobicContact CB-CG 4.19Å; L194-Y336 HydrophobicContact CD1-CD1 4.28Å; L194-Y336 HydrophobicContact CD1-CG 4.04Å; L194-Y336 HydrophobicContact CD2-CD1 3.88Å; L194-Y336 HydrophobicContact CD2-CE1 4.35Å; L194-Y336 HydrophobicContact CD2-CG 4.46Å; L194-Y336 HydrophobicContact CG-CD1 4.23Å; L194-Y336 HydrophobicContact CG-CG 4.46Å
195	R	98.8	Very high	98.4	Very high	30 Å²	30	20.4 Å²	20.4	11%	0.113	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	143.7	171.7	178.4	172.6	-59	-75.8	-16	110.6	S187 Q188 S231 E236 K237 V238 Y239	S187-R195 PolarHBondContact OG-NH1 3.32Å; S187-R195 VanDerWaalsContact OG-NH1 3.11Å; Q188-R195 CarbonylContact O-C 3.57Å; Q188-R195 WeakPolarHBondContact O-CA 3.22Å; R195-S231 WeakPolarHBondContact CD-OG 3.33Å; R195-E236 IonicContact CZ-OE2 3.29Å; R195-E236 IonicContact NE-OE2 3.94Å; R195-E236 PolarHBondContact NE-OE2 2.85Å; R195-E236 IonicContact NH2-OE1 2.85Å; R195-E236 PolarHBondContact NH2-OE1 3.04Å; R195-E236 VanDerWaalsContact NH2-OE1 3.09Å; R195-E236 IonicContact NH2-OE2 3.83Å; R195-E236 PolarHBondContact NH2-OE2 2.7Å; R195-E236 VanDerWaalsContact NH2-OE2 3.12Å; R195-K237 PolarHBondContact N-O 2.97Å; R195-V238 HydrophobicContact CB-CG2 4.26Å; R195-V238 CarbonylContact O-C 3.59Å; R195-V238 VanDerWaalsContact O-CA 3.27Å; R195-V238 WeakPolarHBondContact O-CA 3.42Å; R195-Y239 PolarHBondContact O-N 2.86Å
196	L	98.9	Very high	98.2	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	137.7	169.3	-178.8	146	0	0	0	109.7	I99 F139 Y186 S187 Q188 V190 Y239 I241	I99-L196 HydrophobicContact CG2-CD1 3.8Å; F139-L196 HydrophobicContact CB-CD1 3.53Å; F139-L196 HydrophobicContact CB-CD2 3.8Å; F139-L196 HydrophobicContact CB-CG 4.29Å; F139-L196 HydrophobicContact CD1-CD1 4.29Å; F139-L196 HydrophobicContact CD1-CD2 4.1Å; F139-L196 HydrophobicContact CD2-CD1 3.99Å; F139-L196 HydrophobicContact CG-CD1 3.67Å; F139-L196 HydrophobicContact CG-CD2 4.13Å; F139-L196 HydrophobicContact CG-CG 4.4Å; Y186-L196 HydrophobicContact CE2-CD2 4.28Å; S187-L196 CarbonylContact C-O 3.57Å; S187-L196 VanDerWaalsContact CA-O 3.22Å; S187-L196 WeakPolarHBondContact CA-O 3.43Å; Q188-L196 PolarHBondContact N-O 3.47Å; Q188-L196 PolarHBondContact O-N 2.98Å; V190-L196 HydrophobicContact CG2-CB 3.56Å; V190-L196 HydrophobicContact CG2-CD1 4.49Å; L196-Y239 CarbonylContact C-O 3.56Å; L196-Y239 WeakPolarHBondContact CA-O 3.48Å; L196-I241 HydrophobicContact CD1-CD1 4.26Å; L196-I241 HydrophobicContact CD1-CG2 3.92Å; L196-I241 HydrophobicContact CD2-CD1 3.85Å; L196-I241 HydrophobicContact CD2-CG1 3.97Å; L196-I241 HydrophobicContact CG-CD1 4.46Å; L196-I241 HydrophobicContact CG-CG1 4.41Å; L196-I241 HydrophobicContact CG-CG2 4.29Å
197	L	98.9	Very high	98	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.8	170.1	-65.7	174.1	0	0	0	108.9	W223 L224 T227 L228 V238 Y239 V240 I241	L197-W223 HydrophobicContact CD2-CH2 3.63Å; L197-W223 HydrophobicContact CD2-CZ2 4.24Å; L197-W223 HydrophobicContact CD2-CZ3 4.28Å; L197-L224 HydrophobicContact CD1-CD1 3.63Å; L197-T227 HydrophobicContact CD2-CG2 3.47Å; L197-T227 VanDerWaalsContact CD2-CG2 3.47Å; L197-L228 HydrophobicContact CD1-CD2 3.78Å; L197-L228 HydrophobicContact CD1-CG 4.06Å; L197-V238 HydrophobicContact CB-CG1 4.43Å; L197-V238 HydrophobicContact CD1-CG1 3.5Å; L197-V238 VanDerWaalsContact CD1-CG1 3.5Å; L197-V238 HydrophobicContact CG-CG1 3.77Å; L197-Y239 PolarHBondContact N-O 2.69Å; L197-V240 HydrophobicContact CD1-CG2 4.45Å; L197-V240 CarbonylContact O-C 3.12Å; L197-V240 WeakPolarHBondContact O-CA 3.16Å; L197-I241 PolarHBondContact O-N 3.48Å
198	S	98.9	Very high	97.8	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.007	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	110.8	171.6	-175.8	0	0	0	0	108.8	P140 A141 F185 Y186 I241	P140-S198 PolarHBondContact O-OG 2.93Å; A141-S198 WeakPolarHBondContact CA-OG 3.16Å; A141-S198 VanDerWaalsContact CB-OG 3.28Å; A141-S198 WeakPolarHBondContact CB-OG 3.23Å; F185-S198 CarbonylContact C-O 3.51Å; F185-S198 VanDerWaalsContact CA-O 3.23Å; F185-S198 WeakPolarHBondContact CA-O 3.36Å; F185-S198 WeakPolarHBondContact CB-O 3.4Å; Y186-S198 VanDerWaalsContact CZ-CB 3.49Å; Y186-S198 PolarHBondContact N-O 3.38Å; Y186-S198 PolarHBondContact O-N 3.14Å; S198-I241 WeakPolarHBondContact CA-O 3.28Å
199	L	98.9	Very high	97.7	Very high	1 Å²	1	30.2 Å²	30.2	1%	0.005	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	144	-178.7	-54.8	-176.7	0	0	0	111.3	T201 W223 L224 V240 I241 A242 F270	L199-T201 HydrophobicContact CB-CG2 4.17Å; L199-T201 PolarHBondContact O-N 3.33Å; L199-W223 HydrophobicContact CD2-CZ3 3.73Å; L199-L224 HydrophobicContact CD1-CD2 4.28Å; L199-L224 HydrophobicContact CD2-CD1 4.14Å; L199-V240 HydrophobicContact CD1-CG1 3.66Å; L199-V240 HydrophobicContact CG-CG1 4Å; L199-I241 PolarHBondContact N-O 2.79Å; L199-A242 HydrophobicContact CB-CB 3.91Å; L199-F270 HydrophobicContact CD1-CZ 3.98Å
200	N	98.9	Very high	97.7	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	17%	0.169	C	C	.	.			trans	-92	82	167.5	-174.4	-2.9	0	0	0	109.4	Y161 G183 F185 I202 L203 Q220	Y161-N200 PolarHBondContact OH-ND2 3.24Å; G183-N200 PolarHBondContact O-ND2 3.5Å; F185-N200 HydrophobicContact CB-CB 4.28Å; F185-N200 HydrophobicContact CD1-CB 4.47Å; N200-I202 PolarHBondContact O-N 3.4Å; N200-I202 WeakPolarHBondContact OD1-CB 3.26Å; N200-I202 PolarHBondContact OD1-N 3.23Å; N200-L203 HydrophobicContact CB-CD1 4.33Å; N200-L203 HydrophobicContact CB-CG 4.45Å; N200-Q220 PolarHBondContact O-NE2 3.29Å
201	T	98.9	Very high	97.6	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-78	-4.4	179.4	49.5	0	0	0	0	113.7	L199 L203 Y204 Y205 A242 V244 L266	L199-T201 HydrophobicContact CB-CG2 4.17Å; L199-T201 PolarHBondContact O-N 3.33Å; T201-L203 PolarHBondContact O-N 3.04Å; T201-Y204 HydrophobicContact CG2-CD2 4.07Å; T201-Y204 HydrophobicContact CG2-CE2 4.28Å; T201-Y204 WeakPolarHBondContact O-CB 3.26Å; T201-Y204 PolarHBondContact O-N 3.32Å; T201-Y205 PolarHBondContact O-N 3.49Å; T201-A242 HydrophobicContact CG2-CB 3.56Å; T201-V244 WeakPolarHBondContact CB-O 3.2Å; T201-V244 PolarHBondContact OG1-N 3.45Å; T201-V244 PolarHBondContact OG1-O 3.05Å; T201-L266 HydrophobicContact CG2-CD1 4.39Å
202	I	98.7	Very high	97.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-65.4	-32.9	175.2	-60	68.5	0	0	0	109.9	L142 N144 D151 M153 N200 Y204 Y205 H243	L142-I202 WeakPolarHBondContact O-CD1 3.26Å; N144-I202 HydrophobicContact CB-CG1 3.87Å; N144-I202 HydrophobicContact CB-CG2 3.99Å; D151-I202 WeakPolarHBondContact O-CG2 3.35Å; M153-I202 HydrophobicContact CB-CB 4.13Å; M153-I202 HydrophobicContact CB-CG2 3.69Å; M153-I202 HydrophobicContact CG-CB 3.81Å; M153-I202 HydrophobicContact CG-CG1 4.47Å; M153-I202 HydrophobicContact CG-CG2 3.49Å; M153-I202 VanDerWaalsContact CG-CG2 3.49Å; N200-I202 PolarHBondContact O-N 3.4Å; N200-I202 WeakPolarHBondContact OD1-CB 3.26Å; N200-I202 PolarHBondContact OD1-N 3.23Å; I202-Y204 PolarHBondContact O-N 3.45Å; I202-Y205 VanDerWaalsContact O-CB 3.25Å; I202-Y205 WeakPolarHBondContact O-CB 3.11Å; I202-Y205 PolarHBondContact O-N 2.98Å; I202-H243 HydrophobicContact CD1-CB 4Å
203	L	98.7	Very high	97.4	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-57.3	-14	171.2	-60.6	179.2	0	0	0	113.7	M153 P154 N200 T201 T211 P217 A218	M153-L203 HydrophobicContact CB-CD2 4.04Å; M153-L203 WeakPolarHBondContact O-CD2 3.3Å; P154-L203 WeakPolarHBondContact O-CD2 3.3Å; N200-L203 HydrophobicContact CB-CD1 4.33Å; N200-L203 HydrophobicContact CB-CG 4.45Å; T201-L203 PolarHBondContact O-N 3.04Å; L203-T211 HydrophobicContact CB-CG2 4.19Å; L203-T211 HydrophobicContact CD2-CG2 3.79Å; L203-T211 WeakPolarHBondContact O-CB 3.37Å; L203-T211 PolarHBondContact O-OG1 2.94Å; L203-P217 HydrophobicContact CB-CB 4.15Å; L203-P217 HydrophobicContact CB-CG 3.88Å; L203-P217 HydrophobicContact CD1-CB 4.38Å; L203-A218 HydrophobicContact CD1-CB 3.82Å
204	Y	98.6	Very high	97.4	Very high	1 Å²	1	33.3 Å²	33.3	0%	0.004	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-111.3	-5.7	178.1	-45.6	-43.6	0	0	0	112.1	T201 I202 P217 Q220 F221 I258 R259 H262 L266	T201-Y204 HydrophobicContact CG2-CD2 4.07Å; T201-Y204 HydrophobicContact CG2-CE2 4.28Å; T201-Y204 WeakPolarHBondContact O-CB 3.26Å; T201-Y204 PolarHBondContact O-N 3.32Å; I202-Y204 PolarHBondContact O-N 3.45Å; Y204-P217 HydrophobicContact CD1-CG 3.93Å; Y204-P217 HydrophobicContact CE1-CG 3.59Å; Y204-Q220 WeakPolarHBondContact OH-CB 3.45Å; Y204-Q220 WeakPolarHBondContact OH-CG 3.31Å; Y204-Q220 PolarHBondContact OH-NE2 3.46Å; Y204-Q220 VanDerWaalsContact OH-NE2 3.07Å; Y204-F221 HydrophobicContact CD1-CE2 4.31Å; Y204-F221 AromaticContact CD1-CZ 3.82Å; Y204-F221 HydrophobicContact CD1-CZ 3.82Å; Y204-F221 HydrophobicContact CD2-CZ 4.49Å; Y204-F221 HydrophobicContact CE1-CD2 4.46Å; Y204-F221 AromaticContact CE1-CE1 3.87Å; Y204-F221 HydrophobicContact CE1-CE1 3.87Å; Y204-F221 AromaticContact CE1-CE2 3.58Å; Y204-F221 HydrophobicContact CE1-CE2 3.58Å; Y204-F221 AromaticContact CE1-CZ 3.23Å; Y204-F221 HydrophobicContact CE1-CZ 3.23Å; Y204-F221 AromaticContact CE2-CE1 3.9Å; Y204-F221 HydrophobicContact CE2-CE1 3.9Å; Y204-F221 HydrophobicContact CE2-CZ 4.02Å; Y204-F221 HydrophobicContact CG-CZ 4.42Å; Y204-F221 AromaticContact CZ-CE1 3.44Å; Y204-F221 VanDerWaalsContact CZ-CE1 3.44Å; Y204-F221 AromaticContact CZ-CE2 3.98Å; Y204-F221 AromaticContact CZ-CZ 3.35Å; Y204-F221 VanDerWaalsContact OH-CE1 3.3Å; Y204-F221 WeakPolarHBondContact OH-CE1 3.4Å; Y204-I258 HydrophobicContact CD2-CD1 4.36Å; Y204-I258 CarbonylContact O-C 3.45Å; Y204-I258 WeakPolarHBondContact O-CB 3.44Å; Y204-R259 WeakPolarHBondContact O-CG 3.23Å; Y204-R259 PolarHBondContact O-N 2.72Å; Y204-H262 HydrophobicContact CD1-CB 3.92Å; Y204-H262 AromaticContact CD1-CD2 3.96Å; Y204-H262 AromaticContact CD1-CG 3.74Å; Y204-H262 HydrophobicContact CG-CB 3.89Å; Y204-L266 HydrophobicContact CD2-CD1 3.88Å; Y204-L266 HydrophobicContact CE2-CD1 3.9Å; Y204-L266 HydrophobicContact CE2-CG 4.49Å
205	Y	98.1	Very high	97.4	Very high	43 Å²	43	38.8 Å²	38.8	17%	0.169	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-69.3	137.1	-172.6	-173.4	-139.4	0	0	0	111.2	N144 D151 T201 I202 P207 D208 V244 A257 R259 H284	N144-Y205 HydrophobicContact CB-CD1 4.11Å; N144-Y205 HydrophobicContact CB-CE1 4.25Å; D151-Y205 HydrophobicContact CB-CD1 4.13Å; D151-Y205 HydrophobicContact CB-CE1 4.31Å; T201-Y205 PolarHBondContact O-N 3.49Å; I202-Y205 VanDerWaalsContact O-CB 3.25Å; I202-Y205 WeakPolarHBondContact O-CB 3.11Å; I202-Y205 PolarHBondContact O-N 2.98Å; Y205-P207 HydrophobicContact CD1-CB 4.11Å; Y205-P207 HydrophobicContact CD1-CG 3.98Å; Y205-P207 HydrophobicContact CE1-CB 3.91Å; Y205-P207 HydrophobicContact CE1-CG 3.49Å; Y205-P207 VanDerWaalsContact CE1-CG 3.49Å; Y205-P207 HydrophobicContact CE2-CG 4.2Å; Y205-D208 WeakPolarHBondContact O-CB 3.45Å; Y205-D208 PolarHBondContact O-N 3.32Å; Y205-D208 VanDerWaalsContact O-N 3.08Å; Y205-V244 HydrophobicContact CD2-CG1 3.97Å; Y205-V244 HydrophobicContact CD2-CG2 4.17Å; Y205-V244 HydrophobicContact CE2-CG1 4.46Å; Y205-V244 HydrophobicContact CG-CG2 4.24Å; Y205-A257 WeakPolarHBondContact CD2-O 3.49Å; Y205-R259 PolarHBondContact O-NH1 3.02Å; Y205-R259 PolarHBondContact O-NH2 2.94Å; Y205-H284 AromaticContact CE2-CE1 3.89Å; Y205-H284 AromaticContact CE2-NE2 3.56Å; Y205-H284 AromaticContact CZ-CE1 3.65Å; Y205-H284 AromaticContact CZ-NE2 3.74Å
206	G	94.3	Very high	97.4	Very high	42 Å²	42	39 Å²	39	43%	0.433	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-50.6	-175.1	0	0	0	0	0	113.9	D208 R259	G206-D208 VanDerWaalsContact C-N 3.31Å; G206-D208 PolarHBondContact O-N 3.02Å; G206-R259 PolarHBondContact O-NH2 3.41Å
207	P	95.8	Very high	97.3	Very high	55 Å²	55	39 Å²	39	36%	0.357	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-15.8	177.2	-28.9	38.3	0	0	0	117.8	D151 Q152 Y205 K209	D151-P207 HydrophobicContact CB-CB 4.09Å; Q152-P207 PolarHBondContact NE2-O 2.81Å; Q152-P207 VanDerWaalsContact NE2-O 3.1Å; Y205-P207 HydrophobicContact CD1-CB 4.11Å; Y205-P207 HydrophobicContact CD1-CG 3.98Å; Y205-P207 HydrophobicContact CE1-CB 3.91Å; Y205-P207 HydrophobicContact CE1-CG 3.49Å; Y205-P207 VanDerWaalsContact CE1-CG 3.49Å; Y205-P207 HydrophobicContact CE2-CG 4.2Å; P207-K209 PolarHBondContact O-N 2.04Å
208	D	95.3	Very high	97.3	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.228	C	C	.	.			trans	-72.4	98.6	-177.4	174.5	18.9	0	0	0	112	D151 Q152 M153 Y205 G206 V210 T211 R259	D151-D208 WeakPolarHBondContact O-CB 3.19Å; D151-D208 VanDerWaalsContact O-CG 3.3Å; Q152-D208 WeakPolarHBondContact CA-OD1 3.47Å; M153-D208 PolarHBondContact N-OD1 3.4Å; Y205-D208 WeakPolarHBondContact O-CB 3.45Å; Y205-D208 PolarHBondContact O-N 3.32Å; Y205-D208 VanDerWaalsContact O-N 3.08Å; G206-D208 VanDerWaalsContact C-N 3.31Å; G206-D208 PolarHBondContact O-N 3.02Å; D208-V210 PolarHBondContact O-N 3.24Å; D208-V210 WeakPolarHBondContact OD1-CB 3.38Å; D208-V210 WeakPolarHBondContact OD1-CG2 3.13Å; D208-V210 PolarHBondContact OD1-N 3.02Å; D208-T211 WeakPolarHBondContact OD2-CB 3.21Å; D208-T211 WeakPolarHBondContact OD2-CG2 3.18Å; D208-T211 PolarHBondContact OD2-OG1 2.8Å; D208-R259 PolarHBondContact O-NH2 2.86Å
209	K	96.6	Very high	97.3	Very high	157 Å²	157	41.8 Å²	41.8	68%	0.683	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-74.4	-11.1	-175	-60.2	174.4	-175.5	169	0	113.4	P207 I212	P207-K209 PolarHBondContact O-N 2.04Å; K209-I212 HydrophobicContact CB-CD1 4.02Å; K209-I212 HydrophobicContact CG-CD1 4.24Å
210	V	96.9	Very high	97.3	Very high	60 Å²	60	41.8 Å²	41.8	36%	0.364	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-72.5	-37.6	-174.8	-175	0	0	0	0	111.4	Q152 D208	Q152-V210 HydrophobicContact CB-CG2 3.92Å; D208-V210 PolarHBondContact O-N 3.24Å; D208-V210 WeakPolarHBondContact OD1-CB 3.38Å; D208-V210 WeakPolarHBondContact OD1-CG2 3.13Å; D208-V210 PolarHBondContact OD1-N 3.02Å
211	T	96.8	Very high	97.3	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-98.3	13	-173.3	55.8	0	0	0	0	114.2	L203 D208 N213 M214 P217 R259	L203-T211 HydrophobicContact CB-CG2 4.19Å; L203-T211 HydrophobicContact CD2-CG2 3.79Å; L203-T211 WeakPolarHBondContact O-CB 3.37Å; L203-T211 PolarHBondContact O-OG1 2.94Å; D208-T211 WeakPolarHBondContact OD2-CB 3.21Å; D208-T211 WeakPolarHBondContact OD2-CG2 3.18Å; D208-T211 PolarHBondContact OD2-OG1 2.8Å; T211-N213 PolarHBondContact O-N 2.9Å; T211-M214 HydrophobicContact CG2-SD 4.18Å; T211-M214 WeakPolarHBondContact O-CB 3.46Å; T211-M214 PolarHBondContact O-N 3.27Å; T211-M214 VanDerWaalsContact O-N 3.14Å; T211-P217 HydrophobicContact CG2-CB 3.71Å; T211-P217 HydrophobicContact CG2-CG 4.36Å; T211-R259 PolarHBondContact OG1-NH1 3.23Å
212	I	94.4	Very high	97.3	Very high	87 Å²	87	46.6 Å²	46.6	45%	0.446	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	135.2	178.2	-68.9	174.7	0	0	0	110.2	K209 M214	K209-I212 HydrophobicContact CB-CD1 4.02Å; K209-I212 HydrophobicContact CG-CD1 4.24Å; I212-M214 PolarHBondContact O-N 3.39Å; I212-M214 VanDerWaalsContact O-N 3.13Å
213	N	93.5	Very high	97.3	Very high	160 Å²	160	48.8 Å²	48.8	86%	0.856	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	6.6	-178.6	-56.6	-35.6	0	0	0	115.8	T211	T211-N213 PolarHBondContact O-N 2.9Å
214	M	97.6	Very high	97.3	Very high	61 Å²	61	48.8 Å²	48.8	30%	0.3	27%	0.272	S	S	.	.			trans	-79.5	128	172	-62.4	-174.2	179	0	0	110.5	D155 T211 I212 P217 H262	D155-M214 HydrophobicContact CB-SD 4.12Å; T211-M214 HydrophobicContact CG2-SD 4.18Å; T211-M214 WeakPolarHBondContact O-CB 3.46Å; T211-M214 PolarHBondContact O-N 3.27Å; T211-M214 VanDerWaalsContact O-N 3.14Å; I212-M214 PolarHBondContact O-N 3.39Å; I212-M214 VanDerWaalsContact O-N 3.13Å; M214-P217 HydrophobicContact CB-CB 4.15Å; M214-P217 HydrophobicContact SD-CB 3.96Å; M214-H262 PolarHBondContact O-NE2 3.5Å
215	T	97.4	Very high	97.3	Very high	115 Å²	115	51.2 Å²	51.2	71%	0.706	28%	0.283	S	S	*	.	S	Bend	trans	-78.9	-31.6	178.9	53.4	0	0	0	0	112.3	F221 R265	T215-F221 WeakPolarHBondContact O-CE2 3.44Å; T215-R265 PolarHBondContact O-NH1 3.48Å
216	D	98.4	Very high	97.3	Very high	35 Å²	35	55.3 Å²	55.3	19%	0.187	30%	0.302	C	S	.	.	S	Bend	trans	-146.3	70.5	-179.7	-160.6	-8.1	0	0	0	111.4	A218 G219 Q220 F221 E222 R265	D216-A218 PolarHBondContact O-N 2.75Å; D216-G219 PolarHBondContact O-N 3.36Å; D216-G219 VanDerWaalsContact OD1-C 3.24Å; D216-G219 WeakPolarHBondContact OD1-CA 3.32Å; D216-Q220 PolarHBondContact OD1-N 2.95Å; D216-Q220 VanDerWaalsContact OD1-N 3.08Å; D216-F221 HydrophobicContact CB-CD2 4.13Å; D216-F221 WeakPolarHBondContact OD1-CB 3.32Å; D216-F221 VanDerWaalsContact OD1-CD2 3.3Å; D216-F221 WeakPolarHBondContact OD1-CD2 3.35Å; D216-F221 PolarHBondContact OD1-N 3.41Å; D216-E222 PolarHBondContact OD2-N 3.04Å; D216-E222 VanDerWaalsContact OD2-N 3.14Å; D216-R265 IonicContact OD2-CZ 3.75Å; D216-R265 IonicContact OD2-NH1 2.81Å; D216-R265 IonicContact OD2-NH2 3.55Å; D216-R265 PolarHBondContact OD2-NH2 3.12Å
217	P	98.3	Very high	97.6	Very high	1 Å²	1	54 Å²	54	1%	0.006	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-58.6	132.7	-179.5	26.3	-34.3	0	0	0	110.3	D155 L203 Y204 T211 M214 G219 Q220	D155-P217 HydrophobicContact CB-CB 4.15Å; L203-P217 HydrophobicContact CB-CB 4.15Å; L203-P217 HydrophobicContact CB-CG 3.88Å; L203-P217 HydrophobicContact CD1-CB 4.38Å; Y204-P217 HydrophobicContact CD1-CG 3.93Å; Y204-P217 HydrophobicContact CE1-CG 3.59Å; T211-P217 HydrophobicContact CG2-CB 3.71Å; T211-P217 HydrophobicContact CG2-CG 4.36Å; M214-P217 HydrophobicContact CB-CB 4.15Å; M214-P217 HydrophobicContact SD-CB 3.96Å; P217-G219 PolarHBondContact O-N 2.89Å; P217-G219 VanDerWaalsContact O-N 3.13Å; P217-Q220 PolarHBondContact O-N 3.25Å
218	A	98.3	Very high	97.7	Very high	31 Å²	31	51.4 Å²	51.4	26%	0.256	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	59.7	12.1	-174.9	0	0	0	0	0	115.3	D155 F185 L203 D216 Q220	D155-A218 HydrophobicContact CB-CB 4.32Å; D155-A218 WeakPolarHBondContact O-CA 3.48Å; D155-A218 VanDerWaalsContact O-CB 3.27Å; D155-A218 WeakPolarHBondContact O-CB 3.36Å; F185-A218 HydrophobicContact CE1-CB 3.82Å; L203-A218 HydrophobicContact CD1-CB 3.82Å; D216-A218 PolarHBondContact O-N 2.75Å; A218-Q220 PolarHBondContact O-N 2.91Å
219	G	98.5	Very high	97.9	Very high	28 Å²	28	55.2 Å²	55.2	29%	0.289	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	63.4	20.3	-174.2	0	0	0	0	0	113.6	D216 P217 F221 E222 W223	D216-G219 PolarHBondContact O-N 3.36Å; D216-G219 VanDerWaalsContact OD1-C 3.24Å; D216-G219 WeakPolarHBondContact OD1-CA 3.32Å; P217-G219 PolarHBondContact O-N 2.89Å; P217-G219 VanDerWaalsContact O-N 3.13Å; G219-F221 PolarHBondContact O-N 3.32Å; G219-E222 PolarHBondContact O-N 3.22Å; G219-W223 WeakPolarHBondContact O-CB 3.14Å; G219-W223 PolarHBondContact O-N 3.06Å
220	Q	98.9	Very high	98	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-67.2	-32.1	-171	-179	172.6	-154.3	0	0	112.8	F185 N200 Y204 D216 P217 A218 W223 L224	F185-Q220 HydrophobicContact CD1-CB 3.98Å; F185-Q220 HydrophobicContact CD1-CG 3.79Å; F185-Q220 HydrophobicContact CD2-CG 4.44Å; F185-Q220 HydrophobicContact CE1-CB 3.69Å; F185-Q220 HydrophobicContact CE1-CG 4Å; F185-Q220 HydrophobicContact CG-CG 4.04Å; F185-Q220 HydrophobicContact CZ-CB 4.11Å; F185-Q220 HydrophobicContact CZ-CG 4.42Å; N200-Q220 PolarHBondContact O-NE2 3.29Å; Y204-Q220 WeakPolarHBondContact OH-CB 3.45Å; Y204-Q220 WeakPolarHBondContact OH-CG 3.31Å; Y204-Q220 PolarHBondContact OH-NE2 3.46Å; Y204-Q220 VanDerWaalsContact OH-NE2 3.07Å; D216-Q220 PolarHBondContact OD1-N 2.95Å; D216-Q220 VanDerWaalsContact OD1-N 3.08Å; P217-Q220 PolarHBondContact O-N 3.25Å; A218-Q220 PolarHBondContact O-N 2.91Å; Q220-W223 HydrophobicContact CG-CE3 4.42Å; Q220-L224 WeakPolarHBondContact O-CB 3.37Å; Q220-L224 PolarHBondContact O-N 3.35Å
221	F	98.9	Very high	98.1	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-69.8	-46.3	175.5	-63.6	-56.4	0	0	0	111.6	Y204 T215 D216 G219 W223 L224 E225 H262 R265 L266 I269	Y204-F221 HydrophobicContact CD1-CE2 4.31Å; Y204-F221 AromaticContact CD1-CZ 3.82Å; Y204-F221 HydrophobicContact CD1-CZ 3.82Å; Y204-F221 HydrophobicContact CD2-CZ 4.49Å; Y204-F221 HydrophobicContact CE1-CD2 4.46Å; Y204-F221 AromaticContact CE1-CE1 3.87Å; Y204-F221 HydrophobicContact CE1-CE1 3.87Å; Y204-F221 AromaticContact CE1-CE2 3.58Å; Y204-F221 HydrophobicContact CE1-CE2 3.58Å; Y204-F221 AromaticContact CE1-CZ 3.23Å; Y204-F221 HydrophobicContact CE1-CZ 3.23Å; Y204-F221 AromaticContact CE2-CE1 3.9Å; Y204-F221 HydrophobicContact CE2-CE1 3.9Å; Y204-F221 HydrophobicContact CE2-CZ 4.02Å; Y204-F221 HydrophobicContact CG-CZ 4.42Å; Y204-F221 AromaticContact CZ-CE1 3.44Å; Y204-F221 VanDerWaalsContact CZ-CE1 3.44Å; Y204-F221 AromaticContact CZ-CE2 3.98Å; Y204-F221 AromaticContact CZ-CZ 3.35Å; Y204-F221 VanDerWaalsContact OH-CE1 3.3Å; Y204-F221 WeakPolarHBondContact OH-CE1 3.4Å; T215-F221 WeakPolarHBondContact O-CE2 3.44Å; D216-F221 HydrophobicContact CB-CD2 4.13Å; D216-F221 WeakPolarHBondContact OD1-CB 3.32Å; D216-F221 VanDerWaalsContact OD1-CD2 3.3Å; D216-F221 WeakPolarHBondContact OD1-CD2 3.35Å; D216-F221 PolarHBondContact OD1-N 3.41Å; G219-F221 PolarHBondContact O-N 3.32Å; F221-W223 VanDerWaalsContact C-N 3.29Å; F221-W223 PolarHBondContact O-N 3.23Å; F221-L224 PolarHBondContact O-N 3.05Å; F221-E225 PolarHBondContact O-N 3.44Å; F221-H262 AromaticContact CE2-CD2 3.73Å; F221-H262 HydrophobicContact CZ-CB 4.1Å; F221-H262 AromaticContact CZ-CD2 3.87Å; F221-R265 VanDerWaalsContact CB-CZ 3.43Å; F221-R265 VanDerWaalsContact CB-NH2 3.32Å; F221-R265 HydrophobicContact CD1-CG 4.27Å; F221-R265 HydrophobicContact CD2-CG 4.45Å; F221-R265 VanDerWaalsContact CD2-CZ 3.42Å; F221-R265 VanDerWaalsContact CD2-NH1 3.29Å; F221-R265 HydrophobicContact CE1-CG 4.41Å; F221-R265 HydrophobicContact CG-CG 4.3Å; F221-R265 HydrophobicContact CZ-CB 4.49Å; F221-L266 HydrophobicContact CD1-CD2 3.89Å; F221-L266 HydrophobicContact CD1-CG 4.41Å; F221-L266 HydrophobicContact CE1-CD1 4.43Å; F221-L266 HydrophobicContact CE1-CD2 3.53Å; F221-L266 HydrophobicContact CE1-CG 3.6Å; F221-L266 HydrophobicContact CZ-CG 4.48Å; F221-I269 HydrophobicContact CB-CD1 4.17Å; F221-I269 HydrophobicContact CD1-CD1 3.86Å; F221-I269 HydrophobicContact CG-CD1 4.36Å
222	E	98.8	Very high	98.1	Very high	102 Å²	102	51.4 Å²	51.4	48%	0.477	27%	0.27	S	S	.	.	H	α-helix	trans	-58.6	-44.3	174.7	-175.1	-177.2	178.6	0	0	111.1	D216 G219 K226	D216-E222 PolarHBondContact OD2-N 3.04Å; D216-E222 VanDerWaalsContact OD2-N 3.14Å; G219-E222 PolarHBondContact O-N 3.22Å; E222-K226 HydrophobicContact CG-CD 4.32Å; E222-K226 WeakPolarHBondContact O-CB 3.24Å; E222-K226 WeakPolarHBondContact O-CG 3.45Å; E222-K226 PolarHBondContact O-N 2.8Å; E222-K226 VanDerWaalsContact O-N 3.09Å; E222-K226 VanDerWaalsContact OE1-CE 3.24Å; E222-K226 WeakPolarHBondContact OE1-CE 3.22Å; E222-K226 IonicContact OE1-NZ 3.98Å; E222-K226 PolarHBondContact OE1-NZ 3.1Å
223	W	98.9	Very high	98.3	Very high	46 Å²	46	53.8 Å²	53.8	17%	0.174	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-43.1	175.2	171.2	88.1	0	0	0	112.5	F185 Y186 L197 L199 G219 Q220 F221 K226 T227	F185-W223 AromaticContact CD2-CD2 3.61Å; F185-W223 HydrophobicContact CD2-CD2 3.61Å; F185-W223 AromaticContact CD2-CE2 3.82Å; F185-W223 AromaticContact CD2-CE3 3.56Å; F185-W223 HydrophobicContact CD2-CE3 3.56Å; F185-W223 HydrophobicContact CD2-CG 4.27Å; F185-W223 AromaticContact CD2-CH2 3.96Å; F185-W223 HydrophobicContact CD2-CH2 3.96Å; F185-W223 HydrophobicContact CD2-CZ2 4Å; F185-W223 AromaticContact CD2-CZ3 3.74Å; F185-W223 HydrophobicContact CD2-CZ3 3.74Å; F185-W223 HydrophobicContact CE2-CB 4.11Å; F185-W223 AromaticContact CE2-CD1 3.98Å; F185-W223 AromaticContact CE2-CD2 3.42Å; F185-W223 HydrophobicContact CE2-CD2 3.42Å; F185-W223 VanDerWaalsContact CE2-CD2 3.42Å; F185-W223 AromaticContact CE2-CE2 3.82Å; F185-W223 AromaticContact CE2-CE3 3.74Å; F185-W223 HydrophobicContact CE2-CE3 3.74Å; F185-W223 AromaticContact CE2-CG 3.58Å; F185-W223 HydrophobicContact CE2-CG 3.58Å; F185-W223 HydrophobicContact CE2-CZ2 4.46Å; F185-W223 HydrophobicContact CE2-CZ3 4.38Å; F185-W223 HydrophobicContact CG-CE3 4.46Å; F185-W223 HydrophobicContact CG-CZ3 4.46Å; F185-W223 HydrophobicContact CZ-CG 4.41Å; Y186-W223 WeakPolarHBondContact O-CH2 3.31Å; L197-W223 HydrophobicContact CD2-CH2 3.63Å; L197-W223 HydrophobicContact CD2-CZ2 4.24Å; L197-W223 HydrophobicContact CD2-CZ3 4.28Å; L199-W223 HydrophobicContact CD2-CZ3 3.73Å; G219-W223 WeakPolarHBondContact O-CB 3.14Å; G219-W223 PolarHBondContact O-N 3.06Å; Q220-W223 HydrophobicContact CG-CE3 4.42Å; F221-W223 VanDerWaalsContact C-N 3.29Å; F221-W223 PolarHBondContact O-N 3.23Å; W223-K226 PolarHBondContact O-N 3.36Å; W223-T227 WeakPolarHBondContact O-CB 3.39Å; W223-T227 PolarHBondContact O-N 3.23Å; W223-T227 PolarHBondContact O-OG1 3.35Å
224	L	98.9	Very high	98.6	Very high	1 Å²	1	49.1 Å²	49.1	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-61.6	-50.2	179.4	172.9	58.1	0	0	0	110.9	L197 L199 Q220 F221 K226 T227 L228 L266 I269 F270	L197-L224 HydrophobicContact CD1-CD1 3.63Å; L199-L224 HydrophobicContact CD1-CD2 4.28Å; L199-L224 HydrophobicContact CD2-CD1 4.14Å; Q220-L224 WeakPolarHBondContact O-CB 3.37Å; Q220-L224 PolarHBondContact O-N 3.35Å; F221-L224 PolarHBondContact O-N 3.05Å; L224-K226 PolarHBondContact O-N 3.18Å; L224-T227 PolarHBondContact O-N 3.43Å; L224-L228 HydrophobicContact CD1-CD1 3.59Å; L224-L228 HydrophobicContact CD1-CG 3.93Å; L224-L228 HydrophobicContact CG-CD1 3.84Å; L224-L228 WeakPolarHBondContact O-CB 3.36Å; L224-L228 WeakPolarHBondContact O-CG 3.12Å; L224-L228 PolarHBondContact O-N 3.1Å; L224-L266 HydrophobicContact CD2-CD2 3.7Å; L224-I269 HydrophobicContact CD2-CD1 4.43Å; L224-I269 HydrophobicContact CD2-CG2 3.94Å; L224-I269 HydrophobicContact CG-CG2 4.08Å; L224-F270 HydrophobicContact CD2-CE1 4.16Å; L224-F270 HydrophobicContact CD2-CZ 4.46Å
225	E	98.9	Very high	98.6	Very high	52 Å²	52	55.3 Å²	55.3	24%	0.243	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-44.3	178.6	-70.7	-165.1	81.6	0	0	111.8	F221 T227 L228 E229 I269 K272 Y273	F221-E225 PolarHBondContact O-N 3.44Å; E225-T227 VanDerWaalsContact C-N 3.3Å; E225-T227 PolarHBondContact O-N 3.34Å; E225-L228 PolarHBondContact O-N 3.09Å; E225-E229 VanDerWaalsContact O-CB 3.28Å; E225-E229 WeakPolarHBondContact O-CB 3.11Å; E225-E229 PolarHBondContact O-N 3.22Å; E225-I269 HydrophobicContact CG-CD1 3.94Å; E225-I269 HydrophobicContact CG-CG1 3.91Å; E225-I269 HydrophobicContact CG-CG2 4.12Å; E225-K272 IonicContact OE1-NZ 3.09Å; E225-K272 PolarHBondContact OE1-NZ 2.81Å; E225-Y273 HydrophobicContact CB-CE2 4.2Å; E225-Y273 HydrophobicContact CG-CE2 4.06Å; E225-Y273 PolarHBondContact O-OH 3.46Å
226	K	98.9	Very high	98.6	Very high	129 Å²	129	51.1 Å²	51.1	56%	0.561	26%	0.257	S	S	*	.	H	α-helix	trans	-61.3	-39.5	176.3	-74.6	176.5	-175.7	171	0	112.1	E222 W223 L224 K230	E222-K226 HydrophobicContact CG-CD 4.32Å; E222-K226 WeakPolarHBondContact O-CB 3.24Å; E222-K226 WeakPolarHBondContact O-CG 3.45Å; E222-K226 PolarHBondContact O-N 2.8Å; E222-K226 VanDerWaalsContact O-N 3.09Å; E222-K226 VanDerWaalsContact OE1-CE 3.24Å; E222-K226 WeakPolarHBondContact OE1-CE 3.22Å; E222-K226 IonicContact OE1-NZ 3.98Å; E222-K226 PolarHBondContact OE1-NZ 3.1Å; W223-K226 PolarHBondContact O-N 3.36Å; L224-K226 PolarHBondContact O-N 3.18Å; K226-K230 WeakPolarHBondContact O-CB 3.48Å; K226-K230 PolarHBondContact O-N 3.14Å
227	T	98.9	Very high	98.7	Very high	15 Å²	15	52.8 Å²	52.8	9%	0.092	26%	0.263	C	S	.	.	H	α-helix	trans	-72.6	-40	-178.8	-53.7	0	0	0	0	111.9	L197 W223 L224 E225 K230 S231	L197-T227 HydrophobicContact CD2-CG2 3.47Å; L197-T227 VanDerWaalsContact CD2-CG2 3.47Å; W223-T227 WeakPolarHBondContact O-CB 3.39Å; W223-T227 PolarHBondContact O-N 3.23Å; W223-T227 PolarHBondContact O-OG1 3.35Å; L224-T227 PolarHBondContact O-N 3.43Å; E225-T227 VanDerWaalsContact C-N 3.3Å; E225-T227 PolarHBondContact O-N 3.34Å; T227-K230 PolarHBondContact O-N 3.4Å; T227-S231 WeakPolarHBondContact O-CB 3.28Å; T227-S231 PolarHBondContact O-N 3.47Å; T227-S231 PolarHBondContact O-OG 2.88Å
228	L	98.9	Very high	98.7	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-64.6	-42.8	174.4	-73.3	167.6	0	0	0	111.6	L197 L224 E225 S231 A232 V238 I269 Y273 V277	L197-L228 HydrophobicContact CD1-CD2 3.78Å; L197-L228 HydrophobicContact CD1-CG 4.06Å; L224-L228 HydrophobicContact CD1-CD1 3.59Å; L224-L228 HydrophobicContact CD1-CG 3.93Å; L224-L228 HydrophobicContact CG-CD1 3.84Å; L224-L228 WeakPolarHBondContact O-CB 3.36Å; L224-L228 WeakPolarHBondContact O-CG 3.12Å; L224-L228 PolarHBondContact O-N 3.1Å; E225-L228 PolarHBondContact O-N 3.09Å; L228-S231 WeakPolarHBondContact O-CB 3.28Å; L228-S231 PolarHBondContact O-N 3.47Å; L228-A232 PolarHBondContact O-N 3.17Å; L228-V238 HydrophobicContact CD2-CB 4.29Å; L228-V238 HydrophobicContact CD2-CG1 4.04Å; L228-V238 HydrophobicContact CD2-CG2 4.22Å; L228-I269 HydrophobicContact CD1-CG2 3.77Å; L228-Y273 HydrophobicContact CB-CD1 3.78Å; L228-Y273 HydrophobicContact CB-CD2 3.92Å; L228-Y273 HydrophobicContact CB-CE1 4.14Å; L228-Y273 HydrophobicContact CB-CE2 4.26Å; L228-Y273 HydrophobicContact CB-CG 3.66Å; L228-Y273 HydrophobicContact CD1-CD2 3.66Å; L228-Y273 HydrophobicContact CD1-CE2 4.38Å; L228-Y273 HydrophobicContact CD1-CG 3.91Å; L228-Y273 HydrophobicContact CG-CD2 4.43Å; L228-Y273 HydrophobicContact CG-CG 4.32Å; L228-V277 HydrophobicContact CD2-CG2 3.76Å
229	E	98.8	Very high	98.7	Very high	80 Å²	80	51.3 Å²	51.3	37%	0.374	25%	0.25	S	S	.	.	H	α-helix	trans	-61.4	-45.7	175	-178.3	58.5	-144.8	0	0	111.5	E225 S231 A232 Q233 Y273	E225-E229 VanDerWaalsContact O-CB 3.28Å; E225-E229 WeakPolarHBondContact O-CB 3.11Å; E225-E229 PolarHBondContact O-N 3.22Å; E229-S231 VanDerWaalsContact C-N 3.28Å; E229-S231 PolarHBondContact O-N 2.96Å; E229-A232 WeakPolarHBondContact O-CB 3.21Å; E229-A232 PolarHBondContact O-N 3.09Å; E229-Q233 WeakPolarHBondContact O-CG 3.23Å; E229-Q233 PolarHBondContact O-N 2.83Å; E229-Q233 PolarHBondContact OE1-NE2 3.44Å; E229-Y273 HydrophobicContact CB-CE1 4.13Å
230	K	98.7	Very high	98.7	Very high	107 Å²	107	50 Å²	50	47%	0.465	24%	0.237	S	C	.	.	H	α-helix	trans	-59.8	-39.3	174.4	-176.4	-179.9	177.9	-175.9	0	111.9	K226 T227 Q233 S234	K226-K230 WeakPolarHBondContact O-CB 3.48Å; K226-K230 PolarHBondContact O-N 3.14Å; T227-K230 PolarHBondContact O-N 3.4Å; K230-Q233 PolarHBondContact O-N 2.77Å; K230-S234 VanDerWaalsContact O-CB 3.3Å; K230-S234 WeakPolarHBondContact O-CB 3.43Å; K230-S234 PolarHBondContact O-N 2.61Å; K230-S234 PolarHBondContact O-OG 2.65Å
231	S	98.8	Very high	98.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.3	-43	177.3	-55.7	0	0	0	0	111	R195 T227 L228 E229 Q233 S234 K235 E236	R195-S231 WeakPolarHBondContact CD-OG 3.33Å; T227-S231 WeakPolarHBondContact O-CB 3.28Å; T227-S231 PolarHBondContact O-N 3.47Å; T227-S231 PolarHBondContact O-OG 2.88Å; L228-S231 WeakPolarHBondContact O-CB 3.28Å; L228-S231 PolarHBondContact O-N 3.47Å; E229-S231 VanDerWaalsContact C-N 3.28Å; E229-S231 PolarHBondContact O-N 2.96Å; S231-Q233 PolarHBondContact O-N 2.94Å; S231-S234 CarbonylContact O-C 3.6Å; S231-S234 PolarHBondContact O-N 2.91Å; S231-K235 PolarHBondContact O-N 2.93Å; S231-E236 PolarHBondContact O-N 2.91Å
232	A	98.6	Very high	98.8	Very high	29 Å²	29	50 Å²	50	24%	0.24	24%	0.237	C	C	.	.	H	α-helix	trans	-57.5	-49	174.1	0	0	0	0	0	111.8	L228 E229 S234 K235 V276	L228-A232 PolarHBondContact O-N 3.17Å; E229-A232 WeakPolarHBondContact O-CB 3.21Å; E229-A232 PolarHBondContact O-N 3.09Å; A232-S234 VanDerWaalsContact C-N 3.26Å; A232-S234 PolarHBondContact O-N 3.11Å; A232-K235 PolarHBondContact O-N 2.88Å; A232-V276 HydrophobicContact CB-CG2 3.64Å
233	Q	98.6	Very high	98.8	Very high	137 Å²	137	45.1 Å²	45.1	64%	0.64	21%	0.214	S	C	*	.	H	α-helix	trans	-62.8	-34.2	178.4	-68.2	170.8	10.2	0	0	112.3	E229 K230 S231 K235	E229-Q233 WeakPolarHBondContact O-CG 3.23Å; E229-Q233 PolarHBondContact O-N 2.83Å; E229-Q233 PolarHBondContact OE1-NE2 3.44Å; K230-Q233 PolarHBondContact O-N 2.77Å; S231-Q233 PolarHBondContact O-N 2.94Å; Q233-K235 VanDerWaalsContact C-N 3.27Å; Q233-K235 PolarHBondContact O-N 2.99Å
234	S	98.2	Very high	98.8	Very high	63 Å²	63	42.9 Å²	42.9	44%	0.441	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-0.4	178.4	-52.6	0	0	0	0	113.1	K230 S231 A232 E236	K230-S234 VanDerWaalsContact O-CB 3.3Å; K230-S234 WeakPolarHBondContact O-CB 3.43Å; K230-S234 PolarHBondContact O-N 2.61Å; K230-S234 PolarHBondContact O-OG 2.65Å; S231-S234 CarbonylContact O-C 3.6Å; S231-S234 PolarHBondContact O-N 2.91Å; A232-S234 VanDerWaalsContact C-N 3.26Å; A232-S234 PolarHBondContact O-N 3.11Å; S234-E236 PolarHBondContact O-N 3.12Å
235	K	97.9	Very high	98.8	Very high	191 Å²	191	43.1 Å²	43.1	83%	0.83	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	32.1	-175.3	-53.1	177.9	-178.4	177.6	0	113	S231 A232 Q233	S231-K235 PolarHBondContact O-N 2.93Å; A232-K235 PolarHBondContact O-N 2.88Å; Q233-K235 VanDerWaalsContact C-N 3.27Å; Q233-K235 PolarHBondContact O-N 2.99Å
236	E	98.6	Very high	98.7	Very high	26 Å²	26	40.7 Å²	40.7	12%	0.121	20%	0.196	C	C	.	.			trans	-85	149.9	173	-64.9	175	168.7	0	0	109.9	L189 G193 R195 S231 S234	L189-E236 WeakPolarHBondContact CD1-OE1 3.41Å; G193-E236 CarbonylContact O-C 3.51Å; G193-E236 WeakPolarHBondContact O-CA 3.2Å; R195-E236 IonicContact CZ-OE2 3.29Å; R195-E236 IonicContact NE-OE2 3.94Å; R195-E236 PolarHBondContact NE-OE2 2.85Å; R195-E236 IonicContact NH2-OE1 2.85Å; R195-E236 PolarHBondContact NH2-OE1 3.04Å; R195-E236 VanDerWaalsContact NH2-OE1 3.09Å; R195-E236 IonicContact NH2-OE2 3.83Å; R195-E236 PolarHBondContact NH2-OE2 2.7Å; R195-E236 VanDerWaalsContact NH2-OE2 3.12Å; S231-E236 PolarHBondContact O-N 2.91Å; S234-E236 PolarHBondContact O-N 3.12Å
237	K	98.8	Very high	98.7	Very high	70 Å²	70	34.6 Å²	34.6	30%	0.304	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	154.4	162.2	-67.9	-65.8	-170.6	170.6	0	109.8	G193 L194 R195 H275 V276 A278 Y336	G193-K237 PolarHBondContact O-N 2.78Å; L194-K237 WeakPolarHBondContact CA-O 3.46Å; R195-K237 PolarHBondContact N-O 2.97Å; K237-H275 PolarHBondContact NZ-O 3.25Å; K237-V276 WeakPolarHBondContact CA-O 3.36Å; K237-V276 WeakPolarHBondContact CD-O 3.38Å; K237-A278 HydrophobicContact CB-CB 4.23Å; K237-Y336 HydrophobicContact CB-CD2 3.62Å; K237-Y336 HydrophobicContact CB-CE2 4.42Å; K237-Y336 HydrophobicContact CB-CG 4.32Å; K237-Y336 HydrophobicContact CG-CD2 3.76Å; K237-Y336 HydrophobicContact CG-CE2 4.48Å
238	V	98.9	Very high	98.7	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	128.8	-172.9	171.5	0	0	0	0	111.6	R195 L197 L228 V240 V276 V277 A278	R195-V238 HydrophobicContact CB-CG2 4.26Å; R195-V238 CarbonylContact O-C 3.59Å; R195-V238 VanDerWaalsContact O-CA 3.27Å; R195-V238 WeakPolarHBondContact O-CA 3.42Å; L197-V238 HydrophobicContact CB-CG1 4.43Å; L197-V238 HydrophobicContact CD1-CG1 3.5Å; L197-V238 VanDerWaalsContact CD1-CG1 3.5Å; L197-V238 HydrophobicContact CG-CG1 3.77Å; L228-V238 HydrophobicContact CD2-CB 4.29Å; L228-V238 HydrophobicContact CD2-CG1 4.04Å; L228-V238 HydrophobicContact CD2-CG2 4.22Å; V238-V240 HydrophobicContact CG1-CG2 4.03Å; V238-V276 HydrophobicContact CB-CG1 4.15Å; V238-V276 HydrophobicContact CG2-CG1 3.64Å; V238-V276 PolarHBondContact N-O 3.44Å; V238-V277 CarbonylContact O-C 3.51Å; V238-V277 WeakPolarHBondContact O-CA 3.24Å; V238-A278 PolarHBondContact O-N 3.26Å
239	Y	98.9	Very high	98.6	Very high	1 Å²	1	35.5 Å²	35.5	0%	0.004	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	132.3	158.4	-72	-18.4	0	0	0	110	F33 F97 L194 R195 L196 L197 A278 G279 F281 Y331 Y336	F33-Y239 HydrophobicContact CD1-CE2 4.21Å; F33-Y239 HydrophobicContact CE1-CD2 4.39Å; F33-Y239 AromaticContact CE1-CE2 3.63Å; F33-Y239 HydrophobicContact CE1-CE2 3.63Å; F33-Y239 HydrophobicContact CZ-CE2 4.2Å; F97-Y239 HydrophobicContact CZ-CD2 4.34Å; F97-Y239 HydrophobicContact CZ-CE2 4.24Å; L194-Y239 HydrophobicContact CD1-CD1 4.21Å; L194-Y239 HydrophobicContact CD1-CD2 3.97Å; L194-Y239 HydrophobicContact CD1-CE1 4.41Å; L194-Y239 HydrophobicContact CD1-CE2 4.16Å; L194-Y239 HydrophobicContact CD1-CG 3.99Å; L194-Y239 HydrophobicContact CD2-CD2 4.04Å; L194-Y239 HydrophobicContact CD2-CE2 3.86Å; L194-Y239 HydrophobicContact CG-CD2 4.47Å; R195-Y239 PolarHBondContact O-N 2.86Å; L196-Y239 CarbonylContact C-O 3.56Å; L196-Y239 WeakPolarHBondContact CA-O 3.48Å; L197-Y239 PolarHBondContact N-O 2.69Å; Y239-A278 HydrophobicContact CD1-CB 4.12Å; Y239-A278 HydrophobicContact CE1-CB 3.86Å; Y239-G279 WeakPolarHBondContact CA-O 3.29Å; Y239-F281 AromaticContact CD1-CE2 3.78Å; Y239-F281 HydrophobicContact CD1-CE2 3.78Å; Y239-F281 HydrophobicContact CD1-CZ 4.22Å; Y239-F281 HydrophobicContact CD2-CE2 4.07Å; Y239-F281 HydrophobicContact CE1-CE2 4.29Å; Y239-F281 HydrophobicContact CE1-CZ 4.28Å; Y239-F281 AromaticContact CG-CE2 3.65Å; Y239-F281 HydrophobicContact CG-CE2 3.65Å; Y239-F281 HydrophobicContact CG-CZ 4.39Å; Y239-Y331 WeakPolarHBondContact OH-CB 3.24Å; Y239-Y331 VanDerWaalsContact OH-CG 3.26Å; Y239-Y336 VanDerWaalsContact CE1-O 3.23Å; Y239-Y336 WeakPolarHBondContact CE1-O 3.44Å; Y239-Y336 PolarHBondContact OH-O 3.36Å
240	V	99	Very high	98.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	126.3	173.6	-177.5	0	0	0	0	108	L197 L199 V238 F270 V277 G279 Q280 F281	L197-V240 HydrophobicContact CD1-CG2 4.45Å; L197-V240 CarbonylContact O-C 3.12Å; L197-V240 WeakPolarHBondContact O-CA 3.16Å; L199-V240 HydrophobicContact CD1-CG1 3.66Å; L199-V240 HydrophobicContact CG-CG1 4Å; V238-V240 HydrophobicContact CG1-CG2 4.03Å; V240-F270 HydrophobicContact CG1-CE1 4.31Å; V240-F270 HydrophobicContact CG1-CZ 4.08Å; V240-F270 HydrophobicContact CG2-CE1 4.04Å; V240-V277 HydrophobicContact CG2-CG1 4.06Å; V240-V277 HydrophobicContact CG2-CG2 4.42Å; V240-G279 PolarHBondContact N-O 3.38Å; V240-Q280 HydrophobicContact CB-CB 4.33Å; V240-Q280 HydrophobicContact CB-CG 4.16Å; V240-Q280 HydrophobicContact CG2-CG 4.47Å; V240-Q280 CarbonylContact O-C 3.59Å; V240-Q280 VanDerWaalsContact O-CA 3.29Å; V240-Q280 WeakPolarHBondContact O-CA 3.39Å; V240-F281 WeakPolarHBondContact O-CD2 3.42Å; V240-F281 PolarHBondContact O-N 3.06Å
241	I	98.9	Very high	98.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	141.1	168.3	73.5	170.7	0	0	0	108.6	I99 T101 F139 A141 L196 L197 S198 L199 F281	I99-I241 HydrophobicContact CB-CD1 4.49Å; I99-I241 HydrophobicContact CB-CG2 4.13Å; I99-I241 HydrophobicContact CD1-CG2 3.86Å; I99-I241 HydrophobicContact CG2-CG2 4.03Å; T101-I241 HydrophobicContact CG2-CB 3.96Å; F139-I241 HydrophobicContact CB-CD1 4.21Å; F139-I241 WeakPolarHBondContact O-CD1 3.45Å; A141-I241 HydrophobicContact CB-CD1 4.26Å; A141-I241 HydrophobicContact CB-CG1 4.34Å; L196-I241 HydrophobicContact CD1-CD1 4.26Å; L196-I241 HydrophobicContact CD1-CG2 3.92Å; L196-I241 HydrophobicContact CD2-CD1 3.85Å; L196-I241 HydrophobicContact CD2-CG1 3.97Å; L196-I241 HydrophobicContact CG-CD1 4.46Å; L196-I241 HydrophobicContact CG-CG1 4.41Å; L196-I241 HydrophobicContact CG-CG2 4.29Å; L197-I241 PolarHBondContact O-N 3.48Å; S198-I241 WeakPolarHBondContact CA-O 3.28Å; L199-I241 PolarHBondContact N-O 2.79Å; I241-F281 WeakPolarHBondContact CA-O 3.41Å; I241-F281 HydrophobicContact CG2-CB 4.28Å; I241-F281 HydrophobicContact CG2-CD2 4.19Å
242	A	98.9	Very high	97.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	169.6	169.3	0	0	0	0	0	109.3	T101 L199 T201 F281 Y282	T101-A242 WeakPolarHBondContact CG2-O 3.14Å; L199-A242 HydrophobicContact CB-CB 3.91Å; T201-A242 HydrophobicContact CG2-CB 3.56Å; A242-F281 PolarHBondContact N-O 2.85Å; A242-F281 VanDerWaalsContact N-O 3.11Å; A242-Y282 HydrophobicContact CB-CD1 3.8Å; A242-Y282 HydrophobicContact CB-CE1 3.67Å; A242-Y282 WeakPolarHBondContact O-CA 3.38Å
243	H	98.9	Very high	97.4	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.174	C	C	.	.	S	Bend	trans	-82.7	-71.8	177.2	-178.5	72.1	0	0	0	111.9	D38 T101 D103 L142 G143 N144 I202 G283 H284	D38-H243 IonicContact OD1-CE1 3.51Å; D38-H243 PolarHBondContact OD1-CE1 2.85Å; T101-H243 WeakPolarHBondContact O-CB 3.2Å; T101-H243 PolarHBondContact O-ND1 3.14Å; D103-H243 VanDerWaalsContact CB-CE1 3.46Å; D103-H243 WeakPolarHBondContact CB-CE1 3.38Å; D103-H243 VanDerWaalsContact CG-NE2 3.3Å; D103-H243 IonicContact OD1-CE1 3.95Å; D103-H243 IonicContact OD1-NE2 2.61Å; D103-H243 IonicContact OD2-CE1 3.47Å; D103-H243 PolarHBondContact OD2-CE1 3.06Å; D103-H243 IonicContact OD2-NE2 3.44Å; D103-H243 PolarHBondContact OD2-NE2 3.22Å; L142-H243 VanDerWaalsContact O-CB 3.25Å; L142-H243 WeakPolarHBondContact O-CB 3.38Å; G143-H243 VanDerWaalsContact CA-CD2 3.44Å; G143-H243 WeakPolarHBondContact CA-CD2 3.36Å; N144-H243 PolarHBondContact OD1-CD2 2.85Å; N144-H243 VanDerWaalsContact OD1-CD2 3.31Å; N144-H243 PolarHBondContact OD1-NE2 2.93Å; I202-H243 HydrophobicContact CD1-CB 4Å; H243-G283 CarbonylContact O-C 3.53Å; H243-G283 PolarHBondContact O-N 2.85Å; H243-G283 VanDerWaalsContact O-N 3.09Å; H243-H284 AromaticContact CD2-ND1 3.69Å; H243-H284 WeakPolarHBondContact NE2-CB 3.3Å; H243-H284 AromaticContact NE2-CG 3.65Å; H243-H284 AromaticContact NE2-ND1 3.16Å; H243-H284 PolarHBondContact NE2-ND1 2.78Å; H243-H284 VanDerWaalsContact NE2-ND1 3.16Å
244	V	98.9	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	S	Bend	trans	-73.4	125.7	178.9	-169.2	0	0	0	0	109.7	T201 Y205 A257 I258	T201-V244 WeakPolarHBondContact CB-O 3.2Å; T201-V244 PolarHBondContact OG1-N 3.45Å; T201-V244 PolarHBondContact OG1-O 3.05Å; Y205-V244 HydrophobicContact CD2-CG1 3.97Å; Y205-V244 HydrophobicContact CD2-CG2 4.17Å; Y205-V244 HydrophobicContact CE2-CG1 4.46Å; Y205-V244 HydrophobicContact CG-CG2 4.24Å; V244-A257 HydrophobicContact CG1-CB 3.94Å; V244-I258 HydrophobicContact CB-CG2 3.95Å; V244-I258 HydrophobicContact CG1-CG2 3.51Å
245	P	98.8	Very high	97	Very high	5 Å²	5	32.5 Å²	32.5	3%	0.032	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-72.3	162	-178.3	28.8	-34.5	0	0	0	113.5	A257 Y282 T285 M291 V306	P245-A257 HydrophobicContact CG-CB 3.95Å; P245-A257 WeakPolarHBondContact O-CB 3.32Å; P245-Y282 VanDerWaalsContact CA-CD1 3.48Å; P245-Y282 HydrophobicContact CB-CD1 4.05Å; P245-Y282 HydrophobicContact CB-CD2 4.1Å; P245-Y282 HydrophobicContact CB-CG 3.74Å; P245-T285 HydrophobicContact CG-CG2 3.97Å; P245-M291 HydrophobicContact CB-CE 4.17Å; P245-V306 HydrophobicContact CB-CG2 4.25Å
246	V	98.7	Very high	97	Very high	2 Å²	2	24.4 Å²	24.4	1%	0.012	13%	0.133	C	C	.	.	S	Bend	trans	-76.1	170.1	159.2	-65.7	0	0	0	0	110.2	I258 L266 V267 F270 L304 L426	V246-I258 HydrophobicContact CG1-CD1 4.25Å; V246-L266 HydrophobicContact CG1-CB 3.8Å; V246-L266 HydrophobicContact CG1-CD1 3.7Å; V246-L266 HydrophobicContact CG1-CG 4.39Å; V246-V267 HydrophobicContact CB-CG2 4.37Å; V246-F270 HydrophobicContact CG1-CE2 4.04Å; V246-L304 HydrophobicContact CG2-CD2 3.49Å; V246-L304 VanDerWaalsContact CG2-CD2 3.49Å; V246-L426 HydrophobicContact CG2-CD2 3.95Å
247	G	98.2	Very high	96.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	84.5	-161.2	176.2	0	0	0	0	0	113.6	T256 A257 N263	G247-T256 VanDerWaalsContact O-CA 3.22Å; G247-T256 WeakPolarHBondContact O-CA 3.48Å; G247-T256 WeakPolarHBondContact O-CB 3.26Å; G247-A257 PolarHBondContact O-N 2.78Å; G247-N263 PolarHBondContact N-OD1 3.15Å
248	Y	98.3	Very high	96.8	Very high	8 Å²	8	20.2 Å²	20.2	3%	0.031	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-100.8	142.9	-172.2	-77.9	-97.1	0	0	0	111.6	T255 T256 A422 Q428 Y431	Y248-T255 WeakPolarHBondContact CA-O 3.44Å; Y248-T256 HydrophobicContact CD1-CG2 4.02Å; Y248-T256 HydrophobicContact CD2-CG2 3.99Å; Y248-T256 HydrophobicContact CE1-CG2 3.73Å; Y248-T256 HydrophobicContact CE2-CG2 3.68Å; Y248-T256 HydrophobicContact CG-CG2 4.14Å; Y248-A422 WeakPolarHBondContact O-CB 3.37Å; Y248-Q428 WeakPolarHBondContact OH-CA 3.46Å; Y248-Q428 WeakPolarHBondContact OH-CB 3.3Å; Y248-Q428 WeakPolarHBondContact OH-CG 3.42Å; Y248-Y431 AromaticContact CD1-CD1 3.65Å; Y248-Y431 HydrophobicContact CD1-CD1 3.65Å; Y248-Y431 AromaticContact CD1-CD2 3.88Å; Y248-Y431 HydrophobicContact CD1-CD2 3.88Å; Y248-Y431 AromaticContact CD1-CE1 3.62Å; Y248-Y431 HydrophobicContact CD1-CE1 3.62Å; Y248-Y431 AromaticContact CD1-CE2 3.82Å; Y248-Y431 HydrophobicContact CD1-CE2 3.82Å; Y248-Y431 AromaticContact CD1-CG 3.78Å; Y248-Y431 HydrophobicContact CD1-CG 3.78Å; Y248-Y431 AromaticContact CD1-CZ 3.68Å; Y248-Y431 HydrophobicContact CD2-CD1 4.23Å; Y248-Y431 AromaticContact CD2-CD2 3.54Å; Y248-Y431 HydrophobicContact CD2-CD2 3.54Å; Y248-Y431 HydrophobicContact CD2-CE2 4.2Å; Y248-Y431 AromaticContact CD2-CG 3.55Å; Y248-Y431 HydrophobicContact CD2-CG 3.55Å; Y248-Y431 AromaticContact CE1-CD1 3.56Å; Y248-Y431 HydrophobicContact CE1-CD1 3.56Å; Y248-Y431 HydrophobicContact CE1-CD2 4.46Å; Y248-Y431 AromaticContact CE1-CE1 3.86Å; Y248-Y431 HydrophobicContact CE1-CE1 3.86Å; Y248-Y431 AromaticContact CE1-CG 3.9Å; Y248-Y431 HydrophobicContact CE1-CG 3.9Å; Y248-Y431 VanDerWaalsContact CE2-CB 3.5Å; Y248-Y431 HydrophobicContact CE2-CD1 4.18Å; Y248-Y431 HydrophobicContact CE2-CD2 4.19Å; Y248-Y431 AromaticContact CE2-CG 3.7Å; Y248-Y431 HydrophobicContact CE2-CG 3.7Å; Y248-Y431 AromaticContact CG-CD1 3.99Å; Y248-Y431 HydrophobicContact CG-CD1 3.99Å; Y248-Y431 AromaticContact CG-CD2 3.37Å; Y248-Y431 HydrophobicContact CG-CD2 3.37Å; Y248-Y431 HydrophobicContact CG-CE1 4.16Å; Y248-Y431 AromaticContact CG-CE2 3.53Å; Y248-Y431 HydrophobicContact CG-CE2 3.53Å; Y248-Y431 AromaticContact CG-CG 3.6Å; Y248-Y431 HydrophobicContact CG-CG 3.6Å; Y248-Y431 AromaticContact CG-CZ 3.92Å; Y248-Y431 AromaticContact CZ-CD1 3.84Å; Y248-Y431 AromaticContact CZ-CG 3.86Å
249	L	97.5	Very high	96.8	Very high	27 Å²	27	22.3 Å²	22.3	14%	0.141	12%	0.124	C	C	.	.			trans	-67.9	125.3	174.1	-67.3	175.5	0	0	0	109.3	F251 V252 T255 A257 T285	L249-F251 HydrophobicContact CB-CE1 4.31Å; L249-F251 HydrophobicContact CB-CE2 4.25Å; L249-F251 HydrophobicContact CB-CZ 4.08Å; L249-F251 HydrophobicContact CD1-CE2 4.13Å; L249-F251 HydrophobicContact CD1-CZ 4.04Å; L249-F251 HydrophobicContact CD2-CE1 4.14Å; L249-F251 HydrophobicContact CD2-CZ 3.85Å; L249-F251 HydrophobicContact CG-CZ 4.21Å; L249-F251 PolarHBondContact O-N 3.4Å; L249-V252 HydrophobicContact CB-CG1 3.56Å; L249-V252 HydrophobicContact CD1-CG1 3.85Å; L249-V252 HydrophobicContact CG-CG1 4.35Å; L249-V252 PolarHBondContact O-N 2.91Å; L249-T255 HydrophobicContact CD1-CG2 4.08Å; L249-T255 PolarHBondContact N-O 3.44Å; L249-A257 HydrophobicContact CD2-CB 3.73Å; L249-A257 HydrophobicContact CG-CB 4.24Å; L249-T285 HydrophobicContact CD2-CG2 4.31Å
250	P	96.2	Very high	96.7	Very high	12 Å²	12	26.6 Å²	26.6	8%	0.078	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-9.8	-170.7	29.1	-35.3	0	0	0	114	F401 H418 Q419 A422	P250-F401 HydrophobicContact CB-CE2 4.23Å; P250-F401 HydrophobicContact CG-CE2 3.57Å; P250-F401 HydrophobicContact CG-CZ 3.89Å; P250-H418 CarbonylContact O-C 3.59Å; P250-H418 WeakPolarHBondContact O-CB 3.41Å; P250-Q419 PolarHBondContact O-N 2.96Å; P250-A422 HydrophobicContact CB-CB 3.9Å
251	F	91.9	Very high	96.7	Very high	95 Å²	95	30.6 Å²	30.6	42%	0.417	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-2	-178.1	50.3	-97.4	0	0	0	113.7	L249 F401	L249-F251 HydrophobicContact CB-CE1 4.31Å; L249-F251 HydrophobicContact CB-CE2 4.25Å; L249-F251 HydrophobicContact CB-CZ 4.08Å; L249-F251 HydrophobicContact CD1-CE2 4.13Å; L249-F251 HydrophobicContact CD1-CZ 4.04Å; L249-F251 HydrophobicContact CD2-CE1 4.14Å; L249-F251 HydrophobicContact CD2-CZ 3.85Å; L249-F251 HydrophobicContact CG-CZ 4.21Å; L249-F251 PolarHBondContact O-N 3.4Å; F251-F401 HydrophobicContact CD1-CZ 4.25Å
252	V	91.6	Very high	96.6	Very high	53 Å²	53	31 Å²	31	32%	0.321	17%	0.172	S	C	.	.	S	Bend	trans	-141.2	138.6	177.6	59	0	0	0	0	111.1	L249 T255	L249-V252 HydrophobicContact CB-CG1 3.56Å; L249-V252 HydrophobicContact CD1-CG1 3.85Å; L249-V252 HydrophobicContact CG-CG1 4.35Å; L249-V252 PolarHBondContact O-N 2.91Å; V252-T255 HydrophobicContact CG1-CG2 4.43Å
253	G	89.3	Confident	96.6	Very high	27 Å²	27	31 Å²	31	28%	0.278	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	137.2	-178.4	0	0	0	0	0	112.8	T255 H418	G253-T255 PolarHBondContact O-N 3.03Å; G253-T255 PolarHBondContact O-OG1 3.27Å; G253-H418 WeakPolarHBondContact CA-NE2 3.48Å
254	N	91.8	Very high	96.6	Very high	103 Å²	103	33.6 Å²	33.6	55%	0.551	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.5	31.7	167.5	-166.3	36.4	0	0	0	115.2	Y431	N254-Y431 HydrophobicContact CB-CE1 4.26Å; N254-Y431 PolarHBondContact N-OH 2.9Å
255	T	96.4	Very high	96.6	Very high	62 Å²	62	37.5 Å²	37.5	38%	0.38	20%	0.199	S	C	.	.			trans	-119.1	120.6	175.3	-54.9	0	0	0	0	109.6	Y248 L249 V252 G253	Y248-T255 WeakPolarHBondContact CA-O 3.44Å; L249-T255 HydrophobicContact CD1-CG2 4.08Å; L249-T255 PolarHBondContact N-O 3.44Å; V252-T255 HydrophobicContact CG1-CG2 4.43Å; G253-T255 PolarHBondContact O-N 3.03Å; G253-T255 PolarHBondContact O-OG1 3.27Å
256	T	97.4	Very high	96.6	Very high	21 Å²	21	37.3 Å²	37.3	13%	0.129	20%	0.198	C	C	.	.	B	Isolated β-bridge	trans	-79.8	147.5	172	50.8	0	0	0	0	110.8	G247 Y248 I258 N263	G247-T256 VanDerWaalsContact O-CA 3.22Å; G247-T256 WeakPolarHBondContact O-CA 3.48Å; G247-T256 WeakPolarHBondContact O-CB 3.26Å; Y248-T256 HydrophobicContact CD1-CG2 4.02Å; Y248-T256 HydrophobicContact CD2-CG2 3.99Å; Y248-T256 HydrophobicContact CE1-CG2 3.73Å; Y248-T256 HydrophobicContact CE2-CG2 3.68Å; Y248-T256 HydrophobicContact CG-CG2 4.14Å; T256-I258 CarbonylContact C-O 3.19Å; T256-I258 WeakPolarHBondContact CB-O 3.4Å; T256-I258 PolarHBondContact OG1-O 3.01Å; T256-N263 HydrophobicContact CG2-CB 4.39Å
257	A	96.2	Very high	96.6	Very high	6 Å²	6	37.2 Å²	37.2	5%	0.05	20%	0.198	C	C	.	.	S	Bend	trans	-66.6	-40.7	179.5	0	0	0	0	0	112	Y205 V244 P245 G247 L249	Y205-A257 WeakPolarHBondContact CD2-O 3.49Å; V244-A257 HydrophobicContact CG1-CB 3.94Å; P245-A257 HydrophobicContact CG-CB 3.95Å; P245-A257 WeakPolarHBondContact O-CB 3.32Å; G247-A257 PolarHBondContact O-N 2.78Å; L249-A257 HydrophobicContact CD2-CB 3.73Å; L249-A257 HydrophobicContact CG-CB 4.24Å
258	I	98.4	Very high	96.6	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.01	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-102.3	168.8	167.4	59.4	172.4	0	0	0	110.8	Y204 V244 V246 T256 K260 H262 N263 L266	Y204-I258 HydrophobicContact CD2-CD1 4.36Å; Y204-I258 CarbonylContact O-C 3.45Å; Y204-I258 WeakPolarHBondContact O-CB 3.44Å; V244-I258 HydrophobicContact CB-CG2 3.95Å; V244-I258 HydrophobicContact CG1-CG2 3.51Å; V246-I258 HydrophobicContact CG1-CD1 4.25Å; T256-I258 CarbonylContact C-O 3.19Å; T256-I258 WeakPolarHBondContact CB-O 3.4Å; T256-I258 PolarHBondContact OG1-O 3.01Å; I258-K260 PolarHBondContact O-N 2.96Å; I258-H262 HydrophobicContact CD1-CB 4.43Å; I258-N263 HydrophobicContact CD1-CB 4.21Å; I258-N263 HydrophobicContact CG1-CB 3.93Å; I258-L266 HydrophobicContact CD1-CD1 3.7Å
259	R	98.1	Very high	96.7	Very high	44 Å²	44	39.7 Å²	39.7	17%	0.166	22%	0.219	C	C	.	.			trans	-55.5	135.1	176.1	-71.1	179	-172.4	104.5	13.3	110.9	Y204 Y205 G206 D208 T211 S261 H262 N263	Y204-R259 WeakPolarHBondContact O-CG 3.23Å; Y204-R259 PolarHBondContact O-N 2.72Å; Y205-R259 PolarHBondContact O-NH1 3.02Å; Y205-R259 PolarHBondContact O-NH2 2.94Å; G206-R259 PolarHBondContact O-NH2 3.41Å; D208-R259 PolarHBondContact O-NH2 2.86Å; T211-R259 PolarHBondContact OG1-NH1 3.23Å; R259-S261 VanDerWaalsContact C-N 3.34Å; R259-S261 PolarHBondContact O-N 3.3Å; R259-H262 PolarHBondContact O-N 3.25Å; R259-N263 PolarHBondContact O-N 3.03Å
260	K	97.4	Very high	96.7	Very high	92 Å²	92	38.5 Å²	38.5	40%	0.4	21%	0.212	S	C	.	.	H	α-helix	trans	-48.8	-47.1	-176.4	-175.7	-178.1	168.8	-168.7	0	114.4	I258 H262 N263 E264	I258-K260 PolarHBondContact O-N 2.96Å; K260-H262 VanDerWaalsContact C-N 3.31Å; K260-H262 PolarHBondContact O-N 3.44Å; K260-N263 WeakPolarHBondContact O-CB 3.45Å; K260-N263 PolarHBondContact O-N 3.34Å; K260-E264 WeakPolarHBondContact O-CG 3.46Å; K260-E264 PolarHBondContact O-N 2.85Å
261	S	97.8	Very high	96.8	Very high	83 Å²	83	40.4 Å²	40.4	58%	0.58	22%	0.218	S	C	*	.	H	α-helix	trans	-62.4	-37.7	179.7	51.6	0	0	0	0	113	R259 R265	R259-S261 VanDerWaalsContact C-N 3.34Å; R259-S261 PolarHBondContact O-N 3.3Å; S261-R265 PolarHBondContact O-N 3.39Å
262	H	98.6	Very high	97.1	Very high	8 Å²	8	41.4 Å²	41.4	4%	0.037	22%	0.222	C	C	.	.	H	α-helix	trans	-75.3	-36.4	177	-59.4	128	0	0	0	111.3	Y204 M214 F221 I258 R259 K260 R265 L266	Y204-H262 HydrophobicContact CD1-CB 3.92Å; Y204-H262 AromaticContact CD1-CD2 3.96Å; Y204-H262 AromaticContact CD1-CG 3.74Å; Y204-H262 HydrophobicContact CG-CB 3.89Å; M214-H262 PolarHBondContact O-NE2 3.5Å; F221-H262 AromaticContact CE2-CD2 3.73Å; F221-H262 HydrophobicContact CZ-CB 4.1Å; F221-H262 AromaticContact CZ-CD2 3.87Å; I258-H262 HydrophobicContact CD1-CB 4.43Å; R259-H262 PolarHBondContact O-N 3.25Å; K260-H262 VanDerWaalsContact C-N 3.31Å; K260-H262 PolarHBondContact O-N 3.44Å; H262-R265 PolarHBondContact O-N 3.15Å; H262-L266 PolarHBondContact O-N 2.92Å
263	N	98.8	Very high	97.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-55.4	-54.9	170.5	-176.6	66.6	0	0	0	111.7	G247 T256 I258 R259 K260 R265 L266 V267 L426	G247-N263 PolarHBondContact N-OD1 3.15Å; T256-N263 HydrophobicContact CG2-CB 4.39Å; I258-N263 HydrophobicContact CD1-CB 4.21Å; I258-N263 HydrophobicContact CG1-CB 3.93Å; R259-N263 PolarHBondContact O-N 3.03Å; K260-N263 WeakPolarHBondContact O-CB 3.45Å; K260-N263 PolarHBondContact O-N 3.34Å; N263-R265 VanDerWaalsContact C-N 3.26Å; N263-R265 PolarHBondContact O-N 2.8Å; N263-L266 PolarHBondContact O-N 3.04Å; N263-V267 WeakPolarHBondContact O-CB 3.33Å; N263-V267 VanDerWaalsContact O-CG2 3.26Å; N263-V267 WeakPolarHBondContact O-CG2 3.03Å; N263-V267 PolarHBondContact O-N 3.5Å; N263-L426 PolarHBondContact ND2-O 2.99Å
264	E	98.6	Very high	97.9	Very high	56 Å²	56	39.4 Å²	39.4	26%	0.262	20%	0.204	S	C	.	.	H	α-helix	trans	-57.3	-41.7	179.2	-66.5	-54.4	141.2	0	0	111.6	K260 A268 Q428	K260-E264 WeakPolarHBondContact O-CG 3.46Å; K260-E264 PolarHBondContact O-N 2.85Å; E264-A268 VanDerWaalsContact O-CB 3.3Å; E264-A268 WeakPolarHBondContact O-CB 3.44Å; E264-A268 PolarHBondContact O-N 2.99Å; E264-Q428 WeakPolarHBondContact OE1-CB 3.3Å; E264-Q428 PolarHBondContact OE1-N 2.73Å
265	R	98.7	Very high	98.2	Very high	81 Å²	81	40 Å²	40	31%	0.306	20%	0.204	S	C	.	.	H	α-helix	trans	-66	-45.9	178.7	-171.5	169.8	180	-170.7	-5.3	112.3	T215 D216 F221 S261 H262 N263 A268 I269	T215-R265 PolarHBondContact O-NH1 3.48Å; D216-R265 IonicContact OD2-CZ 3.75Å; D216-R265 IonicContact OD2-NH1 2.81Å; D216-R265 IonicContact OD2-NH2 3.55Å; D216-R265 PolarHBondContact OD2-NH2 3.12Å; F221-R265 VanDerWaalsContact CB-CZ 3.43Å; F221-R265 VanDerWaalsContact CB-NH2 3.32Å; F221-R265 HydrophobicContact CD1-CG 4.27Å; F221-R265 HydrophobicContact CD2-CG 4.45Å; F221-R265 VanDerWaalsContact CD2-CZ 3.42Å; F221-R265 VanDerWaalsContact CD2-NH1 3.29Å; F221-R265 HydrophobicContact CE1-CG 4.41Å; F221-R265 HydrophobicContact CG-CG 4.3Å; F221-R265 HydrophobicContact CZ-CB 4.49Å; S261-R265 PolarHBondContact O-N 3.39Å; H262-R265 PolarHBondContact O-N 3.15Å; N263-R265 VanDerWaalsContact C-N 3.26Å; N263-R265 PolarHBondContact O-N 2.8Å; R265-A268 PolarHBondContact O-N 3.01Å; R265-I269 HydrophobicContact CG-CD1 4.16Å; R265-I269 VanDerWaalsContact O-CG1 3.3Å; R265-I269 WeakPolarHBondContact O-CG1 3.33Å; R265-I269 PolarHBondContact O-N 3.03Å
266	L	98.8	Very high	98.3	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.186	C	C	.	.	H	α-helix	trans	-63.8	-46.3	176.5	-80.3	178.4	0	0	0	112	T201 Y204 F221 L224 V246 I258 H262 N263 A268 I269 F270	T201-L266 HydrophobicContact CG2-CD1 4.39Å; Y204-L266 HydrophobicContact CD2-CD1 3.88Å; Y204-L266 HydrophobicContact CE2-CD1 3.9Å; Y204-L266 HydrophobicContact CE2-CG 4.49Å; F221-L266 HydrophobicContact CD1-CD2 3.89Å; F221-L266 HydrophobicContact CD1-CG 4.41Å; F221-L266 HydrophobicContact CE1-CD1 4.43Å; F221-L266 HydrophobicContact CE1-CD2 3.53Å; F221-L266 HydrophobicContact CE1-CG 3.6Å; F221-L266 HydrophobicContact CZ-CG 4.48Å; L224-L266 HydrophobicContact CD2-CD2 3.7Å; V246-L266 HydrophobicContact CG1-CB 3.8Å; V246-L266 HydrophobicContact CG1-CD1 3.7Å; V246-L266 HydrophobicContact CG1-CG 4.39Å; I258-L266 HydrophobicContact CD1-CD1 3.7Å; H262-L266 PolarHBondContact O-N 2.92Å; N263-L266 PolarHBondContact O-N 3.04Å; L266-A268 VanDerWaalsContact C-N 3.27Å; L266-A268 PolarHBondContact O-N 3.13Å; L266-I269 PolarHBondContact O-N 2.81Å; L266-I269 VanDerWaalsContact O-N 3.14Å; L266-F270 HydrophobicContact CB-CD2 4.35Å; L266-F270 HydrophobicContact CB-CE2 4.03Å; L266-F270 HydrophobicContact CD2-CE2 4.27Å; L266-F270 HydrophobicContact CD2-CZ 4.13Å; L266-F270 VanDerWaalsContact O-CD2 3.26Å; L266-F270 WeakPolarHBondContact O-CD2 3.24Å; L266-F270 WeakPolarHBondContact O-CG 3.46Å; L266-F270 PolarHBondContact O-N 2.83Å
267	V	98.7	Very high	98.4	Very high	1 Å²	1	36.3 Å²	36.3	1%	0.006	18%	0.181	C	C	.	.	H	α-helix	trans	-58.7	-42.4	178.5	170.1	0	0	0	0	110.3	V246 N263 F270 R271 L293 L426 D427	V246-V267 HydrophobicContact CB-CG2 4.37Å; N263-V267 WeakPolarHBondContact O-CB 3.33Å; N263-V267 VanDerWaalsContact O-CG2 3.26Å; N263-V267 WeakPolarHBondContact O-CG2 3.03Å; N263-V267 PolarHBondContact O-N 3.5Å; V267-F270 PolarHBondContact O-N 3.23Å; V267-R271 WeakPolarHBondContact O-CG 3.36Å; V267-R271 PolarHBondContact O-N 2.88Å; V267-L293 HydrophobicContact CG1-CD1 3.76Å; V267-L426 HydrophobicContact CG2-CB 4.02Å; V267-D427 HydrophobicContact CG1-CB 4.42Å
268	A	98.8	Very high	98.5	Very high	53 Å²	53	37 Å²	37	44%	0.438	19%	0.187	S	C	.	.	H	α-helix	trans	-63.4	-42.7	174.9	0	0	0	0	0	113	E264 R265 L266 R271 K272	E264-A268 VanDerWaalsContact O-CB 3.3Å; E264-A268 WeakPolarHBondContact O-CB 3.44Å; E264-A268 PolarHBondContact O-N 2.99Å; R265-A268 PolarHBondContact O-N 3.01Å; L266-A268 VanDerWaalsContact C-N 3.27Å; L266-A268 PolarHBondContact O-N 3.13Å; A268-R271 PolarHBondContact O-N 3.33Å; A268-K272 WeakPolarHBondContact O-CB 3.45Å; A268-K272 PolarHBondContact O-N 3.02Å
269	I	98.9	Very high	98.5	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.036	19%	0.186	C	C	.	.	H	α-helix	trans	-61.6	-47.6	175.6	-69.5	166.4	0	0	0	110.3	F221 L224 E225 L228 R265 L266 R271 K272 Y273	F221-I269 HydrophobicContact CB-CD1 4.17Å; F221-I269 HydrophobicContact CD1-CD1 3.86Å; F221-I269 HydrophobicContact CG-CD1 4.36Å; L224-I269 HydrophobicContact CD2-CD1 4.43Å; L224-I269 HydrophobicContact CD2-CG2 3.94Å; L224-I269 HydrophobicContact CG-CG2 4.08Å; E225-I269 HydrophobicContact CG-CD1 3.94Å; E225-I269 HydrophobicContact CG-CG1 3.91Å; E225-I269 HydrophobicContact CG-CG2 4.12Å; L228-I269 HydrophobicContact CD1-CG2 3.77Å; R265-I269 HydrophobicContact CG-CD1 4.16Å; R265-I269 VanDerWaalsContact O-CG1 3.3Å; R265-I269 WeakPolarHBondContact O-CG1 3.33Å; R265-I269 PolarHBondContact O-N 3.03Å; L266-I269 PolarHBondContact O-N 2.81Å; L266-I269 VanDerWaalsContact O-N 3.14Å; I269-R271 VanDerWaalsContact C-N 3.34Å; I269-R271 PolarHBondContact O-N 2.85Å; I269-K272 WeakPolarHBondContact O-CB 3.49Å; I269-K272 PolarHBondContact O-N 3.5Å; I269-Y273 HydrophobicContact CG2-CD2 3.96Å; I269-Y273 HydrophobicContact CG2-CE2 4.33Å; I269-Y273 WeakPolarHBondContact O-CD2 3.45Å; I269-Y273 PolarHBondContact O-N 2.77Å
270	F	98.8	Very high	98.5	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.009	18%	0.178	C	C	.	.	H	α-helix	trans	-66.2	-33.9	179.7	-64	-38.8	0	0	0	112.8	L199 L224 V240 V246 L266 V267 Y273 S274 L293	L199-F270 HydrophobicContact CD1-CZ 3.98Å; L224-F270 HydrophobicContact CD2-CE1 4.16Å; L224-F270 HydrophobicContact CD2-CZ 4.46Å; V240-F270 HydrophobicContact CG1-CE1 4.31Å; V240-F270 HydrophobicContact CG1-CZ 4.08Å; V240-F270 HydrophobicContact CG2-CE1 4.04Å; V246-F270 HydrophobicContact CG1-CE2 4.04Å; L266-F270 HydrophobicContact CB-CD2 4.35Å; L266-F270 HydrophobicContact CB-CE2 4.03Å; L266-F270 HydrophobicContact CD2-CE2 4.27Å; L266-F270 HydrophobicContact CD2-CZ 4.13Å; L266-F270 VanDerWaalsContact O-CD2 3.26Å; L266-F270 WeakPolarHBondContact O-CD2 3.24Å; L266-F270 WeakPolarHBondContact O-CG 3.46Å; L266-F270 PolarHBondContact O-N 2.83Å; V267-F270 PolarHBondContact O-N 3.23Å; F270-Y273 CarbonylContact O-C 3.47Å; F270-S274 VanDerWaalsContact O-CA 3.29Å; F270-S274 WeakPolarHBondContact O-CA 3.44Å; F270-S274 WeakPolarHBondContact O-CB 3.16Å; F270-S274 PolarHBondContact O-N 3.26Å; F270-L293 HydrophobicContact CB-CD2 3.74Å
271	R	98.4	Very high	98.6	Very high	51 Å²	51	30.4 Å²	30.4	19%	0.192	16%	0.159	C	C	.	.	H	α-helix	trans	-60.7	-51.1	169.8	-75.8	175.2	-177	139.1	6.7	111.3	V267 A268 I269 Y273 S274 L293 L294 D427	V267-R271 WeakPolarHBondContact O-CG 3.36Å; V267-R271 PolarHBondContact O-N 2.88Å; A268-R271 PolarHBondContact O-N 3.33Å; I269-R271 VanDerWaalsContact C-N 3.34Å; I269-R271 PolarHBondContact O-N 2.85Å; R271-Y273 VanDerWaalsContact C-N 3.32Å; R271-Y273 PolarHBondContact O-N 3.33Å; R271-S274 WeakPolarHBondContact O-CB 3.42Å; R271-S274 PolarHBondContact O-N 3.18Å; R271-S274 PolarHBondContact O-OG 2.72Å; R271-L293 HydrophobicContact CG-CD1 3.92Å; R271-L293 HydrophobicContact CG-CD2 3.97Å; R271-L293 HydrophobicContact CG-CG 4.07Å; R271-L294 PolarHBondContact NE-O 3.05Å; R271-D427 IonicContact CZ-OD2 3.35Å; R271-D427 IonicContact NH2-OD2 3.92Å; R271-D427 PolarHBondContact NH2-OD2 3.31Å
272	K	98.6	Very high	98.7	Very high	117 Å²	117	26.5 Å²	26.5	51%	0.509	13%	0.132	S	C	.	.	H	α-helix	trans	-57	-42.2	-179.4	176.7	179.8	169.1	-171.7	0	112.4	E225 A268 I269	E225-K272 IonicContact OE1-NZ 3.09Å; E225-K272 PolarHBondContact OE1-NZ 2.81Å; A268-K272 WeakPolarHBondContact O-CB 3.45Å; A268-K272 PolarHBondContact O-N 3.02Å; I269-K272 WeakPolarHBondContact O-CB 3.49Å; I269-K272 PolarHBondContact O-N 3.5Å
273	Y	98.8	Very high	98.7	Very high	11 Å²	11	26.1 Å²	26.1	4%	0.043	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	19	-178	-63.4	-76.9	0	0	0	114	E225 L228 E229 I269 F270 R271 H275 V276 V277	E225-Y273 HydrophobicContact CB-CE2 4.2Å; E225-Y273 HydrophobicContact CG-CE2 4.06Å; E225-Y273 PolarHBondContact O-OH 3.46Å; L228-Y273 HydrophobicContact CB-CD1 3.78Å; L228-Y273 HydrophobicContact CB-CD2 3.92Å; L228-Y273 HydrophobicContact CB-CE1 4.14Å; L228-Y273 HydrophobicContact CB-CE2 4.26Å; L228-Y273 HydrophobicContact CB-CG 3.66Å; L228-Y273 HydrophobicContact CD1-CD2 3.66Å; L228-Y273 HydrophobicContact CD1-CE2 4.38Å; L228-Y273 HydrophobicContact CD1-CG 3.91Å; L228-Y273 HydrophobicContact CG-CD2 4.43Å; L228-Y273 HydrophobicContact CG-CG 4.32Å; E229-Y273 HydrophobicContact CB-CE1 4.13Å; I269-Y273 HydrophobicContact CG2-CD2 3.96Å; I269-Y273 HydrophobicContact CG2-CE2 4.33Å; I269-Y273 WeakPolarHBondContact O-CD2 3.45Å; I269-Y273 PolarHBondContact O-N 2.77Å; F270-Y273 CarbonylContact O-C 3.47Å; R271-Y273 VanDerWaalsContact C-N 3.32Å; R271-Y273 PolarHBondContact O-N 3.33Å; Y273-H275 PolarHBondContact O-N 2.99Å; Y273-H275 VanDerWaalsContact O-N 3.11Å; Y273-V276 WeakPolarHBondContact O-CA 3.39Å; Y273-V276 WeakPolarHBondContact O-CB 3.22Å; Y273-V276 PolarHBondContact O-N 3.19Å; Y273-V277 PolarHBondContact O-N 2.94Å; Y273-V277 VanDerWaalsContact O-N 3.1Å
274	S	98.3	Very high	98.7	Very high	26 Å²	26	27.5 Å²	27.5	18%	0.182	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-26.5	-177.2	54.9	0	0	0	0	114.1	F270 R271 V276 V277 N302	F270-S274 VanDerWaalsContact O-CA 3.29Å; F270-S274 WeakPolarHBondContact O-CA 3.44Å; F270-S274 WeakPolarHBondContact O-CB 3.16Å; F270-S274 PolarHBondContact O-N 3.26Å; R271-S274 WeakPolarHBondContact O-CB 3.42Å; R271-S274 PolarHBondContact O-N 3.18Å; R271-S274 PolarHBondContact O-OG 2.72Å; S274-V276 PolarHBondContact O-N 3.22Å; S274-V277 VanDerWaalsContact O-O 3.14Å; S274-N302 PolarHBondContact O-ND2 3.19Å
275	H	98.1	Very high	98.7	Very high	116 Å²	116	25.6 Å²	25.6	54%	0.537	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18	173.6	65.4	-78.6	0	0	0	113.8	K237 Y273	K237-H275 PolarHBondContact NZ-O 3.25Å; Y273-H275 PolarHBondContact O-N 2.99Å; Y273-H275 VanDerWaalsContact O-N 3.11Å
276	V	98.4	Very high	98.7	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-43.4	178	-175.4	0	0	0	0	110.9	A232 K237 V238 Y273 S274 A278	A232-V276 HydrophobicContact CB-CG2 3.64Å; K237-V276 WeakPolarHBondContact CA-O 3.36Å; K237-V276 WeakPolarHBondContact CD-O 3.38Å; V238-V276 HydrophobicContact CB-CG1 4.15Å; V238-V276 HydrophobicContact CG2-CG1 3.64Å; V238-V276 PolarHBondContact N-O 3.44Å; Y273-V276 WeakPolarHBondContact O-CA 3.39Å; Y273-V276 WeakPolarHBondContact O-CB 3.22Å; Y273-V276 PolarHBondContact O-N 3.19Å; S274-V276 PolarHBondContact O-N 3.22Å; V276-A278 PolarHBondContact O-N 2.88Å
277	V	98.8	Very high	98.7	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.024	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	119.4	-177.3	-178.9	0	0	0	0	110	L228 V238 V240 Y273 S274 Q280 N302	L228-V277 HydrophobicContact CD2-CG2 3.76Å; V238-V277 CarbonylContact O-C 3.51Å; V238-V277 WeakPolarHBondContact O-CA 3.24Å; V240-V277 HydrophobicContact CG2-CG1 4.06Å; V240-V277 HydrophobicContact CG2-CG2 4.42Å; Y273-V277 PolarHBondContact O-N 2.94Å; Y273-V277 VanDerWaalsContact O-N 3.1Å; S274-V277 VanDerWaalsContact O-O 3.14Å; V277-Q280 HydrophobicContact CG1-CG 3.83Å; V277-N302 VanDerWaalsContact CB-OD1 3.31Å; V277-N302 WeakPolarHBondContact CB-OD1 3.42Å; V277-N302 WeakPolarHBondContact CG1-OD1 3.4Å; V277-N302 PolarHBondContact O-ND2 3.31Å
278	A	98.6	Very high	98.7	Very high	20 Å²	20	23.2 Å²	23.2	17%	0.165	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	-15.8	-177.4	0	0	0	0	0	113.7	K237 V238 Y239 V276 Y336	K237-A278 HydrophobicContact CB-CB 4.23Å; V238-A278 PolarHBondContact O-N 3.26Å; Y239-A278 HydrophobicContact CD1-CB 4.12Å; Y239-A278 HydrophobicContact CE1-CB 3.86Å; V276-A278 PolarHBondContact O-N 2.88Å; A278-Y336 WeakPolarHBondContact CB-O 3.5Å
279	G	98.8	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-176.6	151.3	176.6	0	0	0	0	0	112	Y239 V240	Y239-G279 WeakPolarHBondContact CA-O 3.29Å; V240-G279 PolarHBondContact N-O 3.38Å
280	Q	98.9	Very high	98.7	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	134.3	177.2	-46.4	-178.5	25.2	0	0	110	V240 V277 Y282 N302 S303 L304 F305	V240-Q280 HydrophobicContact CB-CB 4.33Å; V240-Q280 HydrophobicContact CB-CG 4.16Å; V240-Q280 HydrophobicContact CG2-CG 4.47Å; V240-Q280 CarbonylContact O-C 3.59Å; V240-Q280 VanDerWaalsContact O-CA 3.29Å; V240-Q280 WeakPolarHBondContact O-CA 3.39Å; V277-Q280 HydrophobicContact CG1-CG 3.83Å; Q280-Y282 HydrophobicContact CB-CE2 3.62Å; Q280-Y282 PolarHBondContact OE1-OH 3.49Å; Q280-N302 PolarHBondContact NE2-OD1 3.26Å; Q280-S303 PolarHBondContact N-O 3.46Å; Q280-L304 HydrophobicContact CB-CB 4.15Å; Q280-L304 HydrophobicContact CB-CD2 4.23Å; Q280-L304 HydrophobicContact CB-CG 3.86Å; Q280-L304 HydrophobicContact CG-CD2 4.43Å; Q280-L304 HydrophobicContact CG-CG 4.06Å; Q280-L304 CarbonylContact O-C 3.54Å; Q280-L304 WeakPolarHBondContact O-CA 3.46Å; Q280-F305 PolarHBondContact O-N 3Å
281	F	98.9	Very high	98.7	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	125.1	-169	-48.5	-82.2	0	0	0	110.8	F33 I99 Y239 V240 I241 A242 F305 Y329 V338	F33-F281 HydrophobicContact CE1-CZ 4.39Å; F33-F281 HydrophobicContact CE2-CD1 4.38Å; F33-F281 HydrophobicContact CE2-CE1 4.18Å; F33-F281 HydrophobicContact CE2-CZ 4.3Å; F33-F281 HydrophobicContact CZ-CD1 4.27Å; F33-F281 AromaticContact CZ-CE1 3.63Å; F33-F281 HydrophobicContact CZ-CE1 3.63Å; F33-F281 HydrophobicContact CZ-CE2 4.06Å; F33-F281 AromaticContact CZ-CZ 3.51Å; F33-F281 HydrophobicContact CZ-CZ 3.51Å; I99-F281 HydrophobicContact CD1-CB 3.46Å; I99-F281 VanDerWaalsContact CD1-CB 3.46Å; I99-F281 HydrophobicContact CD1-CD1 4.33Å; I99-F281 HydrophobicContact CD1-CD2 4.11Å; I99-F281 HydrophobicContact CD1-CG 3.7Å; Y239-F281 AromaticContact CD1-CE2 3.78Å; Y239-F281 HydrophobicContact CD1-CE2 3.78Å; Y239-F281 HydrophobicContact CD1-CZ 4.22Å; Y239-F281 HydrophobicContact CD2-CE2 4.07Å; Y239-F281 HydrophobicContact CE1-CE2 4.29Å; Y239-F281 HydrophobicContact CE1-CZ 4.28Å; Y239-F281 AromaticContact CG-CE2 3.65Å; Y239-F281 HydrophobicContact CG-CE2 3.65Å; Y239-F281 HydrophobicContact CG-CZ 4.39Å; V240-F281 WeakPolarHBondContact O-CD2 3.42Å; V240-F281 PolarHBondContact O-N 3.06Å; I241-F281 WeakPolarHBondContact CA-O 3.41Å; I241-F281 HydrophobicContact CG2-CB 4.28Å; I241-F281 HydrophobicContact CG2-CD2 4.19Å; A242-F281 PolarHBondContact N-O 2.85Å; A242-F281 VanDerWaalsContact N-O 3.11Å; F281-F305 CarbonylContact C-O 3.59Å; F281-F305 WeakPolarHBondContact CA-O 3.25Å; F281-F305 HydrophobicContact CD1-CB 4.32Å; F281-F305 AromaticContact CD1-CD2 3.93Å; F281-F305 HydrophobicContact CD1-CD2 3.93Å; F281-F305 AromaticContact CE1-CD2 3.65Å; F281-F305 HydrophobicContact CE1-CD2 3.65Å; F281-F305 HydrophobicContact CE1-CE2 4.18Å; F281-Y329 HydrophobicContact CD1-CD1 4.36Å; F281-Y329 AromaticContact CD1-CE1 3.75Å; F281-Y329 HydrophobicContact CD1-CE1 3.75Å; F281-Y329 AromaticContact CD1-CE2 3.97Å; F281-Y329 HydrophobicContact CD1-CE2 3.97Å; F281-Y329 AromaticContact CD1-CZ 3.53Å; F281-Y329 AromaticContact CE1-CD1 3.75Å; F281-Y329 HydrophobicContact CE1-CD1 3.75Å; F281-Y329 HydrophobicContact CE1-CD2 4.48Å; F281-Y329 AromaticContact CE1-CE1 3.5Å; F281-Y329 HydrophobicContact CE1-CE1 3.5Å; F281-Y329 VanDerWaalsContact CE1-CE1 3.5Å; F281-Y329 HydrophobicContact CE1-CE2 4.27Å; F281-Y329 HydrophobicContact CE1-CG 4.23Å; F281-Y329 AromaticContact CE1-CZ 3.79Å; F281-V338 HydrophobicContact CE1-CG2 4.17Å; F281-V338 HydrophobicContact CZ-CG2 3.83Å
282	Y	98.9	Very high	98.7	Very high	1 Å²	1	18.7 Å²	18.7	0%	0.004	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	166.5	-172.5	-56.2	-82	0	0	0	113.2	H35 A242 P245 Q280 M291 L304 F305 V306 S307	H35-Y282 PolarHBondContact CE1-O 2.97Å; A242-Y282 HydrophobicContact CB-CD1 3.8Å; A242-Y282 HydrophobicContact CB-CE1 3.67Å; A242-Y282 WeakPolarHBondContact O-CA 3.38Å; P245-Y282 VanDerWaalsContact CA-CD1 3.48Å; P245-Y282 HydrophobicContact CB-CD1 4.05Å; P245-Y282 HydrophobicContact CB-CD2 4.1Å; P245-Y282 HydrophobicContact CB-CG 3.74Å; Q280-Y282 HydrophobicContact CB-CE2 3.62Å; Q280-Y282 PolarHBondContact OE1-OH 3.49Å; Y282-M291 HydrophobicContact CD2-CE 4.42Å; Y282-L304 HydrophobicContact CE2-CB 4.27Å; Y282-L304 HydrophobicContact CE2-CD2 3.94Å; Y282-F305 PolarHBondContact N-O 2.96Å; Y282-V306 WeakPolarHBondContact O-CA 3.36Å; Y282-S307 PolarHBondContact O-N 3.38Å
283	G	98.9	Very high	98.7	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.069	C	C	.	.			trans	-125.6	-126.8	172.5	0	0	0	0	0	111.3	T37 D38 H243 T285 V306	T37-G283 WeakPolarHBondContact OG1-CA 3.41Å; D38-G283 WeakPolarHBondContact OD2-CA 3.34Å; H243-G283 CarbonylContact O-C 3.53Å; H243-G283 PolarHBondContact O-N 2.85Å; H243-G283 VanDerWaalsContact O-N 3.09Å; G283-T285 PolarHBondContact O-N 2.8Å; G283-V306 WeakPolarHBondContact O-CG1 3.4Å
284	H	98.8	Very high	98.7	Very high	29 Å²	29	13.9 Å²	13.9	13%	0.134	7%	0.073	C	C	.	.	S	Bend	trans	68.9	-46.4	168.9	-176.4	66.5	0	0	0	115.9	D38 N144 Y205 H243 H286	D38-H284 WeakPolarHBondContact OD1-CA 3.45Å; D38-H284 PolarHBondContact OD1-N 3.2Å; D38-H284 PolarHBondContact OD2-N 3.25Å; N144-H284 PolarHBondContact OD1-CE1 2.83Å; N144-H284 VanDerWaalsContact OD1-CE1 3.24Å; N144-H284 PolarHBondContact OD1-ND1 3.37Å; Y205-H284 AromaticContact CE2-CE1 3.89Å; Y205-H284 AromaticContact CE2-NE2 3.56Å; Y205-H284 AromaticContact CZ-CE1 3.65Å; Y205-H284 AromaticContact CZ-NE2 3.74Å; H243-H284 AromaticContact CD2-ND1 3.69Å; H243-H284 WeakPolarHBondContact NE2-CB 3.3Å; H243-H284 AromaticContact NE2-CG 3.65Å; H243-H284 AromaticContact NE2-ND1 3.16Å; H243-H284 PolarHBondContact NE2-ND1 2.78Å; H243-H284 VanDerWaalsContact NE2-ND1 3.16Å; H284-H286 PolarHBondContact O-CD2 3.25Å; H284-H286 VanDerWaalsContact O-CD2 3.29Å; H284-H286 PolarHBondContact O-N 3.08Å
285	T	98.5	Very high	98.6	Very high	15 Å²	15	14.5 Å²	14.5	9%	0.092	8%	0.075	C	C	.	.	S	Bend	trans	-77.4	-15.1	-174.4	70.3	0	0	0	0	112.9	P245 L249 G283 R287 V306	P245-T285 HydrophobicContact CG-CG2 3.97Å; L249-T285 HydrophobicContact CD2-CG2 4.31Å; G283-T285 PolarHBondContact O-N 2.8Å; T285-R287 WeakPolarHBondContact O-CG 3.47Å; T285-R287 PolarHBondContact O-N 3.29Å; T285-R287 PolarHBondContact OG1-N 3.14Å; T285-V306 HydrophobicContact CG2-CG1 4.14Å; T285-V306 WeakPolarHBondContact OG1-CG1 3.34Å
286	H	98.8	Very high	98.4	Very high	16 Å²	16	17.2 Å²	17.2	7%	0.074	9%	0.087	C	C	.	.			trans	58.3	19.7	-170.9	-54.6	-174.9	0	0	0	113.9	D38 H40 H107 H284 A309 T311 N322	D38-H286 IonicContact OD1-CD2 3.22Å; D38-H286 PolarHBondContact OD1-CD2 3.36Å; D38-H286 VanDerWaalsContact OD1-CD2 3.29Å; D38-H286 IonicContact OD1-NE2 3.13Å; D38-H286 PolarHBondContact OD1-NE2 3.12Å; H40-H286 AromaticContact CD2-CE1 3.91Å; H40-H286 AromaticContact CD2-NE2 3.72Å; H40-H286 AromaticContact NE2-CE1 3.8Å; H40-H286 AromaticContact NE2-NE2 3.32Å; H40-H286 PolarHBondContact NE2-NE2 3.07Å; H107-H286 AromaticContact CE1-CE1 3.76Å; H284-H286 PolarHBondContact O-CD2 3.25Å; H284-H286 VanDerWaalsContact O-CD2 3.29Å; H284-H286 PolarHBondContact O-N 3.08Å; H286-A309 HydrophobicContact CB-CB 3.64Å; H286-T311 VanDerWaalsContact CE1-CG2 3.48Å; H286-T311 WeakPolarHBondContact CE1-CG2 3.4Å; H286-N322 WeakPolarHBondContact O-CB 3.3Å; H286-N322 VanDerWaalsContact O-CG 3.23Å; H286-N322 PolarHBondContact O-OD1 2.79Å
287	R	98.6	Very high	98.2	Very high	15 Å²	15	23.5 Å²	23.5	6%	0.057	12%	0.117	C	C	.	.	S	Bend	trans	-123.8	148.7	-176.6	-59.5	-67.1	174.8	-90.3	0.1	110.9	T285 S289 S307 N322 F401	T285-R287 WeakPolarHBondContact O-CG 3.47Å; T285-R287 PolarHBondContact O-N 3.29Å; T285-R287 PolarHBondContact OG1-N 3.14Å; R287-S289 PolarHBondContact O-N 3.36Å; R287-S307 CarbonylContact O-C 3.58Å; R287-N322 PolarHBondContact NH1-OD1 3.22Å; R287-F401 WeakPolarHBondContact CA-O 3.03Å; R287-F401 HydrophobicContact CB-CD1 4.44Å; R287-F401 HydrophobicContact CB-CD2 3.8Å; R287-F401 HydrophobicContact CB-CE1 4.14Å; R287-F401 HydrophobicContact CB-CE2 3.41Å; R287-F401 VanDerWaalsContact CB-CE2 3.41Å; R287-F401 HydrophobicContact CB-CG 4.28Å; R287-F401 HydrophobicContact CB-CZ 3.59Å; R287-F401 WeakPolarHBondContact CB-O 3.49Å; R287-F401 WeakPolarHBondContact CD-O 3.45Å; R287-F401 HydrophobicContact CG-CD1 4.33Å; R287-F401 HydrophobicContact CG-CD2 4.45Å; R287-F401 HydrophobicContact CG-CE1 3.72Å; R287-F401 HydrophobicContact CG-CE2 3.83Å; R287-F401 HydrophobicContact CG-CZ 3.41Å; R287-F401 VanDerWaalsContact CG-CZ 3.41Å
288	D	98.8	Very high	98.1	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.011	14%	0.135	C	C	.	.			trans	-76.7	110.9	170.9	-168.5	-16.2	0	0	0	108.9	P308 R327 Y363 H400 F401	D288-P308 HydrophobicContact CB-CG 4.44Å; D288-R327 IonicContact OD1-CZ 3.34Å; D288-R327 IonicContact OD1-NH1 3.98Å; D288-R327 IonicContact OD1-NH2 3.49Å; D288-R327 PolarHBondContact OD1-NH2 3.17Å; D288-R327 IonicContact OD2-NH2 3.58Å; D288-R327 PolarHBondContact OD2-NH2 3.3Å; D288-Y363 PolarHBondContact OD1-OH 2.85Å; D288-Y363 WeakPolarHBondContact OD2-CE1 3.18Å; D288-Y363 PolarHBondContact OD2-OH 3.27Å; D288-H400 WeakPolarHBondContact CB-O 3.45Å; D288-F401 PolarHBondContact N-O 3.42Å; D288-F401 WeakPolarHBondContact O-CA 3.08Å; D288-F401 VanDerWaalsContact O-CD2 3.26Å; D288-F401 WeakPolarHBondContact O-CD2 3.43Å
289	S	98.6	Very high	98	Very high	6 Å²	6	31.8 Å²	31.8	4%	0.042	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	151.4	178.2	-64.6	0	0	0	0	112.4	R287 V306 Y397 F401	R287-S289 PolarHBondContact O-N 3.36Å; S289-V306 PolarHBondContact N-O 2.93Å; S289-V306 VanDerWaalsContact N-O 3.1Å; S289-V306 PolarHBondContact O-N 3.3Å; S289-Y397 WeakPolarHBondContact CA-OH 3.2Å; S289-F401 VanDerWaalsContact OG-CD2 3.23Å; S289-F401 WeakPolarHBondContact OG-CD2 3.48Å; S289-F401 WeakPolarHBondContact OG-CE2 3.43Å
290	I	98.7	Very high	98	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.015	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	150.7	172.8	65.2	172.8	0	0	0	109.5	L304 F305 M365 L379 L382 Y397 V423	I290-L304 WeakPolarHBondContact CA-O 3.42Å; I290-F305 HydrophobicContact CG2-CD1 3.99Å; I290-F305 HydrophobicContact CG2-CE1 4.38Å; I290-M365 HydrophobicContact CD1-CE 3.88Å; I290-M365 HydrophobicContact CG2-CE 3.78Å; I290-M365 HydrophobicContact CG2-SD 4.43Å; I290-L379 HydrophobicContact CD1-CD2 4.2Å; I290-L382 HydrophobicContact CD1-CD2 3.68Å; I290-L382 HydrophobicContact CD1-CG 4.33Å; I290-Y397 HydrophobicContact CG1-CE2 3.96Å; I290-Y397 PolarHBondContact N-OH 2.99Å; I290-V423 HydrophobicContact CG1-CG1 4.13Å; I290-V423 HydrophobicContact CG1-CG2 4.5Å; I290-V423 WeakPolarHBondContact O-CG2 3.45Å
291	M	98.9	Very high	98	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.049	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	149.6	168	-55	167	-79.3	0	0	109.6	P245 Y282 L304 V306 V423 L426	P245-M291 HydrophobicContact CB-CE 4.17Å; Y282-M291 HydrophobicContact CD2-CE 4.42Å; M291-L304 HydrophobicContact CB-CB 4.11Å; M291-L304 HydrophobicContact CB-CD1 4.33Å; M291-L304 HydrophobicContact CE-CB 3.95Å; M291-L304 HydrophobicContact CE-CD2 4.22Å; M291-L304 PolarHBondContact N-O 3.33Å; M291-L304 PolarHBondContact O-N 2.93Å; M291-V306 HydrophobicContact CE-CG2 3.68Å; M291-V423 WeakPolarHBondContact CA-O 2.94Å; M291-L426 HydrophobicContact CB-CD1 4.02Å; M291-L426 HydrophobicContact CB-CD2 4.36Å; M291-L426 HydrophobicContact CB-CG 4.41Å; M291-L426 HydrophobicContact SD-CD2 4.49Å; M291-L426 HydrophobicContact SD-CG 4.41Å
292	V	98.7	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	121.6	173.2	59.7	0	0	0	0	109.5	L294 P300 P376 L379 L380 V423 L424 L426	V292-L294 HydrophobicContact CG1-CD2 4.49Å; V292-L294 HydrophobicContact CG2-CD2 4.08Å; V292-P300 HydrophobicContact CG2-CB 3.71Å; V292-P376 HydrophobicContact CG2-CB 4.3Å; V292-P376 WeakPolarHBondContact CG2-O 3.36Å; V292-L379 HydrophobicContact CB-CB 4.3Å; V292-L380 HydrophobicContact CG1-CB 4.41Å; V292-L380 HydrophobicContact CG1-CD1 4.26Å; V292-L380 HydrophobicContact CG2-CB 4.22Å; V292-V423 PolarHBondContact N-O 3.31Å; V292-L424 HydrophobicContact CG1-CD2 4.02Å; V292-L426 VanDerWaalsContact O-CD1 3.29Å; V292-L426 WeakPolarHBondContact O-CD1 3.41Å
293	L	98.8	Very high	98	Very high	2 Å²	2	35.1 Å²	35.1	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	124.2	173.8	177.9	61.5	0	0	0	109.5	V267 F270 R271 V301 N302 L304 L426	V267-L293 HydrophobicContact CG1-CD1 3.76Å; F270-L293 HydrophobicContact CB-CD2 3.74Å; R271-L293 HydrophobicContact CG-CD1 3.92Å; R271-L293 HydrophobicContact CG-CD2 3.97Å; R271-L293 HydrophobicContact CG-CG 4.07Å; L293-V301 HydrophobicContact CD2-CG2 4.39Å; L293-V301 HydrophobicContact CG-CG2 4.08Å; L293-V301 WeakPolarHBondContact O-CG2 3.37Å; L293-V301 PolarHBondContact O-N 2.86Å; L293-N302 HydrophobicContact CB-CB 3.87Å; L293-N302 HydrophobicContact CD2-CB 4.12Å; L293-N302 PolarHBondContact N-O 3.43Å; L293-N302 PolarHBondContact O-N 3.4Å; L293-L304 HydrophobicContact CB-CD1 3.87Å; L293-L426 HydrophobicContact CB-CD2 4.4Å; L293-L426 HydrophobicContact CD1-CD2 4.38Å
294	L	98.6	Very high	98	Very high	24 Å²	24	35.2 Å²	35.2	13%	0.126	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	147.1	171.4	-49.4	-175.5	0	0	0	110.8	R271 V292 Y299 P300 L380 Y425	R271-L294 PolarHBondContact NE-O 3.05Å; V292-L294 HydrophobicContact CG1-CD2 4.49Å; V292-L294 HydrophobicContact CG2-CD2 4.08Å; L294-Y299 CarbonylContact C-O 3.43Å; L294-Y299 VanDerWaalsContact CA-O 3.27Å; L294-Y299 WeakPolarHBondContact CA-O 3.46Å; L294-P300 HydrophobicContact CD2-CB 3.76Å; L294-L380 HydrophobicContact CD2-CD1 4.15Å; L294-L380 HydrophobicContact CD2-CD2 4.12Å; L294-Y425 HydrophobicContact CD1-CE1 4.19Å
295	D	97.1	Very high	98	Very high	40 Å²	40	33.8 Å²	33.8	21%	0.214	17%	0.171	C	C	.	.			trans	-73.6	179.5	165	70.6	15.3	0	0	0	111.8	Q297 G298 Y299 V301	D295-Q297 PolarHBondContact O-N 3.35Å; D295-Q297 WeakPolarHBondContact OD1-CA 3.42Å; D295-Q297 PolarHBondContact OD1-N 3.29Å; D295-G298 PolarHBondContact O-N 3.21Å; D295-G298 VanDerWaalsContact O-N 3.09Å; D295-G298 PolarHBondContact OD1-N 3.06Å; D295-Y299 PolarHBondContact N-O 2.74Å; D295-Y299 PolarHBondContact OD1-N 3.34Å; D295-Y299 WeakPolarHBondContact OD2-CB 3.29Å; D295-V301 HydrophobicContact CB-CG1 3.85Å; D295-V301 HydrophobicContact CB-CG2 4.49Å
296	E	93.3	Very high	98	Very high	172 Å²	172	33.3 Å²	33.3	80%	0.804	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-17.1	-178.7	-64.3	-177.6	174.3	0	0	113.4
297	Q	94.9	Very high	98	Very high	135 Å²	135	32.5 Å²	32.5	63%	0.631	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-2.5	177.3	-66.7	73.5	48.2	0	0	112.3	D295 Y299	D295-Q297 PolarHBondContact O-N 3.35Å; D295-Q297 WeakPolarHBondContact OD1-CA 3.42Å; D295-Q297 PolarHBondContact OD1-N 3.29Å; Q297-Y299 HydrophobicContact CB-CD2 3.69Å; Q297-Y299 HydrophobicContact CB-CE2 3.73Å
298	G	95.3	Very high	98	Very high	39 Å²	39	31.8 Å²	31.8	40%	0.402	16%	0.162	S	C	.	.	S	Bend	trans	85	11.6	-179.5	0	0	0	0	0	114.4	D295	D295-G298 PolarHBondContact O-N 3.21Å; D295-G298 VanDerWaalsContact O-N 3.09Å; D295-G298 PolarHBondContact OD1-N 3.06Å
299	Y	97.9	Very high	98	Very high	159 Å²	159	31.7 Å²	31.7	62%	0.624	16%	0.162	S	C	*	.			trans	-79.8	138.6	172	-61.4	-74.8	0	0	0	110.4	L294 D295 Q297 V301	L294-Y299 CarbonylContact C-O 3.43Å; L294-Y299 VanDerWaalsContact CA-O 3.27Å; L294-Y299 WeakPolarHBondContact CA-O 3.46Å; D295-Y299 PolarHBondContact N-O 2.74Å; D295-Y299 PolarHBondContact OD1-N 3.34Å; D295-Y299 WeakPolarHBondContact OD2-CB 3.29Å; Q297-Y299 HydrophobicContact CB-CD2 3.69Å; Q297-Y299 HydrophobicContact CB-CE2 3.73Å; Y299-V301 PolarHBondContact O-N 3.4Å
300	P	98.4	Very high	98	Very high	32 Å²	32	31.5 Å²	31.5	21%	0.208	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	124.5	178.7	32.2	-34.3	0	0	0	110.5	V292 L294 P376 K377 L380	V292-P300 HydrophobicContact CG2-CB 3.71Å; L294-P300 HydrophobicContact CD2-CB 3.76Å; P300-P376 HydrophobicContact CB-CB 3.7Å; P300-P376 WeakPolarHBondContact CB-O 3.17Å; P300-P376 HydrophobicContact CG-CB 4.45Å; P300-K377 HydrophobicContact CG-CB 4.23Å; P300-L380 HydrophobicContact CB-CB 3.99Å; P300-L380 HydrophobicContact CB-CD2 3.95Å; P300-L380 HydrophobicContact CG-CB 4.17Å; P300-L380 HydrophobicContact CG-CD2 3.7Å
301	V	98.5	Very high	98	Very high	32 Å²	32	31.3 Å²	31.3	19%	0.194	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	-23.4	-171.5	-64.3	0	0	0	0	114.3	L293 D295 Y299	L293-V301 HydrophobicContact CD2-CG2 4.39Å; L293-V301 HydrophobicContact CG-CG2 4.08Å; L293-V301 WeakPolarHBondContact O-CG2 3.37Å; L293-V301 PolarHBondContact O-N 2.86Å; D295-V301 HydrophobicContact CB-CG1 3.85Å; D295-V301 HydrophobicContact CB-CG2 4.49Å; Y299-V301 PolarHBondContact O-N 3.4Å
302	N	98.5	Very high	98	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	142.8	-179	-105	-158.5	0	0	0	112.4	S274 V277 Q280 L293	S274-N302 PolarHBondContact O-ND2 3.19Å; V277-N302 VanDerWaalsContact CB-OD1 3.31Å; V277-N302 WeakPolarHBondContact CB-OD1 3.42Å; V277-N302 WeakPolarHBondContact CG1-OD1 3.4Å; V277-N302 PolarHBondContact O-ND2 3.31Å; Q280-N302 PolarHBondContact NE2-OD1 3.26Å; L293-N302 HydrophobicContact CB-CB 3.87Å; L293-N302 HydrophobicContact CD2-CB 4.12Å; L293-N302 PolarHBondContact N-O 3.43Å; L293-N302 PolarHBondContact O-N 3.4Å
303	S	98.8	Very high	98	Very high	4 Å²	4	31.7 Å²	31.7	3%	0.028	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.9	175	-61.4	0	0	0	0	109.6	Q280 L374 P376 L379	Q280-S303 PolarHBondContact N-O 3.46Å; S303-L374 WeakPolarHBondContact CB-O 3.41Å; S303-L374 PolarHBondContact OG-O 2.8Å; S303-P376 WeakPolarHBondContact OG-CA 3.33Å; S303-P376 WeakPolarHBondContact OG-CD 3.19Å; S303-L379 WeakPolarHBondContact OG-CD1 3.47Å
304	L	98.8	Very high	97.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	142.7	179.3	-50.8	79.9	0	0	0	109.2	V246 Q280 Y282 I290 M291 L293 L426	V246-L304 HydrophobicContact CG2-CD2 3.49Å; V246-L304 VanDerWaalsContact CG2-CD2 3.49Å; Q280-L304 HydrophobicContact CB-CB 4.15Å; Q280-L304 HydrophobicContact CB-CD2 4.23Å; Q280-L304 HydrophobicContact CB-CG 3.86Å; Q280-L304 HydrophobicContact CG-CD2 4.43Å; Q280-L304 HydrophobicContact CG-CG 4.06Å; Q280-L304 CarbonylContact O-C 3.54Å; Q280-L304 WeakPolarHBondContact O-CA 3.46Å; Y282-L304 HydrophobicContact CE2-CB 4.27Å; Y282-L304 HydrophobicContact CE2-CD2 3.94Å; I290-L304 WeakPolarHBondContact CA-O 3.42Å; M291-L304 HydrophobicContact CB-CB 4.11Å; M291-L304 HydrophobicContact CB-CD1 4.33Å; M291-L304 HydrophobicContact CE-CB 3.95Å; M291-L304 HydrophobicContact CE-CD2 4.22Å; M291-L304 PolarHBondContact N-O 3.33Å; M291-L304 PolarHBondContact O-N 2.93Å; L293-L304 HydrophobicContact CB-CD1 3.87Å; L304-L426 HydrophobicContact CD1-CD2 3.99Å; L304-L426 HydrophobicContact CD2-CD2 3.64Å
305	F	98.9	Very high	97.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	131.3	-174.9	-52.1	-81.7	0	0	0	109.8	Q280 F281 Y282 I290 Y329 V338 I341 L374 L379	Q280-F305 PolarHBondContact O-N 3Å; F281-F305 CarbonylContact C-O 3.59Å; F281-F305 WeakPolarHBondContact CA-O 3.25Å; F281-F305 HydrophobicContact CD1-CB 4.32Å; F281-F305 AromaticContact CD1-CD2 3.93Å; F281-F305 HydrophobicContact CD1-CD2 3.93Å; F281-F305 AromaticContact CE1-CD2 3.65Å; F281-F305 HydrophobicContact CE1-CD2 3.65Å; F281-F305 HydrophobicContact CE1-CE2 4.18Å; Y282-F305 PolarHBondContact N-O 2.96Å; I290-F305 HydrophobicContact CG2-CD1 3.99Å; I290-F305 HydrophobicContact CG2-CE1 4.38Å; F305-Y329 HydrophobicContact CB-CE1 4.07Å; F305-Y329 WeakPolarHBondContact CB-OH 3.49Å; F305-Y329 HydrophobicContact CD1-CE1 4.32Å; F305-Y329 AromaticContact CD2-CE1 3.86Å; F305-Y329 HydrophobicContact CD2-CE1 3.86Å; F305-Y329 HydrophobicContact CE2-CE1 4.38Å; F305-Y329 AromaticContact CG-CE1 3.82Å; F305-Y329 HydrophobicContact CG-CE1 3.82Å; F305-V338 HydrophobicContact CE2-CB 4.11Å; F305-V338 HydrophobicContact CE2-CG1 4.04Å; F305-V338 HydrophobicContact CE2-CG2 3.97Å; F305-V338 HydrophobicContact CZ-CB 4.24Å; F305-V338 HydrophobicContact CZ-CG1 4Å; F305-I341 HydrophobicContact CD1-CD1 3.44Å; F305-I341 VanDerWaalsContact CD1-CD1 3.44Å; F305-I341 HydrophobicContact CE1-CD1 3.7Å; F305-I341 HydrophobicContact CG-CD1 4.12Å; F305-L374 HydrophobicContact CE1-CB 4.23Å; F305-L374 HydrophobicContact CE1-CD1 4.03Å; F305-L374 HydrophobicContact CZ-CB 3.89Å; F305-L374 HydrophobicContact CZ-CD1 4.24Å; F305-L379 HydrophobicContact CE1-CD1 3.85Å; F305-L379 HydrophobicContact CZ-CD1 3.97Å
306	V	98.9	Very high	96.9	Very high	4 Å²	4	38.8 Å²	38.8	2%	0.024	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	122	171.5	-167.9	0	0	0	0	107	P245 Y282 G283 T285 S289 M291 R327	P245-V306 HydrophobicContact CB-CG2 4.25Å; Y282-V306 WeakPolarHBondContact O-CA 3.36Å; G283-V306 WeakPolarHBondContact O-CG1 3.4Å; T285-V306 HydrophobicContact CG2-CG1 4.14Å; T285-V306 WeakPolarHBondContact OG1-CG1 3.34Å; S289-V306 PolarHBondContact N-O 2.93Å; S289-V306 VanDerWaalsContact N-O 3.1Å; S289-V306 PolarHBondContact O-N 3.3Å; M291-V306 HydrophobicContact CE-CG2 3.68Å; V306-R327 PolarHBondContact O-NH1 2.99Å; V306-R327 VanDerWaalsContact O-NH1 3.09Å; V306-R327 PolarHBondContact O-NH2 3.36Å
307	S	98.8	Very high	96.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-86.1	141.5	178.6	-175.8	0	0	0	0	110.4	Y282 R287	Y282-S307 PolarHBondContact O-N 3.38Å; R287-S307 CarbonylContact O-C 3.58Å
308	P	98.8	Very high	96.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-66.9	163.1	168.3	32.4	-37.7	0	0	0	110.5	T37 D288 V403	T37-P308 WeakPolarHBondContact CG2-O 3.41Å; D288-P308 HydrophobicContact CB-CG 4.44Å; P308-V403 HydrophobicContact CB-CG2 3.33Å; P308-V403 HydrophobicContact CG-CG2 3.66Å
309	A	98.9	Very high	96.1	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-82.1	157.4	-178.6	0	0	0	0	0	112.6	D38 H286 T311 N322 G325	D38-A309 HydrophobicContact CB-CB 3.45Å; D38-A309 VanDerWaalsContact CB-CB 3.45Å; H286-A309 HydrophobicContact CB-CB 3.64Å; A309-T311 HydrophobicContact CB-CG2 3.79Å; A309-T311 WeakPolarHBondContact CB-O 3.16Å; A309-N322 PolarHBondContact O-ND2 3.29Å; A309-G325 CarbonylContact C-O 3.57Å; A309-G325 PolarHBondContact O-N 3.36Å
310	V	98.9	Very high	95.9	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	18%	0.184	C	C	.	.	S	Bend	trans	-73.2	-37.8	161	175.7	0	0	0	0	109.8	T37 D38 L39 L80 I81 P324	T37-V310 PolarHBondContact O-N 2.89Å; D38-V310 PolarHBondContact O-N 3.3Å; L39-V310 HydrophobicContact CD2-CB 3.92Å; L39-V310 HydrophobicContact CD2-CG2 3.61Å; L80-V310 HydrophobicContact CD2-CG1 4.34Å; L80-V310 WeakPolarHBondContact CD2-O 3.33Å; L80-V310 HydrophobicContact CG-CG1 4.16Å; I81-V310 HydrophobicContact CG1-CG1 4.34Å; V310-P324 WeakPolarHBondContact O-CA 3.32Å; V310-P324 WeakPolarHBondContact O-CB 3.34Å; V310-P324 WeakPolarHBondContact O-CG 3.41Å
311	T	98.9	Very high	95.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.174	C	C	.	.			trans	-64	135.6	174.7	-172	0	0	0	0	111.5	D38 H40 D75 S76 H286 A309 I313 N322	D38-T311 PolarHBondContact O-N 3.35Å; D38-T311 VanDerWaalsContact O-N 3.16Å; H40-T311 HydrophobicContact CB-CG2 3.99Å; H40-T311 VanDerWaalsContact CD2-CG2 3.43Å; H40-T311 WeakPolarHBondContact CD2-CG2 3.37Å; D75-T311 WeakPolarHBondContact CA-OG1 3.49Å; D75-T311 PolarHBondContact OD1-OG1 3.45Å; S76-T311 WeakPolarHBondContact OG-CA 3.48Å; S76-T311 WeakPolarHBondContact OG-CB 3.47Å; S76-T311 PolarHBondContact OG-N 3.16Å; H286-T311 VanDerWaalsContact CE1-CG2 3.48Å; H286-T311 WeakPolarHBondContact CE1-CG2 3.4Å; A309-T311 HydrophobicContact CB-CG2 3.79Å; A309-T311 WeakPolarHBondContact CB-O 3.16Å; T311-I313 VanDerWaalsContact C-N 3.32Å; T311-I313 HydrophobicContact CG2-CG2 3.87Å; T311-I313 PolarHBondContact OG1-N 3.4Å; T311-N322 PolarHBondContact O-ND2 3.5Å
312	P	98.7	Very high	95.9	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.165	C	C	.	.			trans	-92.5	8.5	175.1	39.3	-36.9	0	0	0	112.1	F72 L80 K314 S321 P324 L348	F72-P312 HydrophobicContact CD1-CB 3.75Å; F72-P312 HydrophobicContact CE1-CB 4.02Å; L80-P312 HydrophobicContact CD2-CG 4.47Å; P312-K314 PolarHBondContact O-N 3.32Å; P312-S321 WeakPolarHBondContact O-CB 3.45Å; P312-S321 PolarHBondContact O-OG 3.42Å; P312-P324 HydrophobicContact CB-CG 4.16Å; P312-L348 HydrophobicContact CB-CD2 3.61Å; P312-L348 HydrophobicContact CG-CD2 3.65Å
313	I	98.3	Very high	95.9	Very high	18 Å²	18	36.2 Å²	36.2	9%	0.092	17%	0.165	C	C	.	.			trans	-61.6	134.8	-171.2	-162.5	172.2	0	0	0	111.3	F72 C74 D75 H107 T311 S321	F72-I313 CarbonylContact O-C 3.49Å; F72-I313 WeakPolarHBondContact O-CA 3.12Å; C74-I313 WeakPolarHBondContact O-CB 3.35Å; D75-I313 HydrophobicContact CB-CD1 4.37Å; D75-I313 VanDerWaalsContact OD1-CG2 3.23Å; D75-I313 WeakPolarHBondContact OD1-CG2 3.26Å; H107-I313 HydrophobicContact CB-CD1 4.13Å; T311-I313 VanDerWaalsContact C-N 3.32Å; T311-I313 HydrophobicContact CG2-CG2 3.87Å; T311-I313 PolarHBondContact OG1-N 3.4Å; I313-S321 PolarHBondContact O-OG 2.92Å
314	K	96.4	Very high	95.9	Very high	32 Å²	32	36 Å²	36	14%	0.139	16%	0.164	C	C	.	.			trans	-127	153.1	160.7	67.8	171.8	-160.1	79.4	0	109.4	F72 L73 P312 E318	F72-K314 VanDerWaalsContact O-CG 3.31Å; F72-K314 WeakPolarHBondContact O-CG 3.48Å; F72-K314 PolarHBondContact O-N 3.36Å; L73-K314 HydrophobicContact CD2-CG 4.42Å; P312-K314 PolarHBondContact O-N 3.32Å; K314-E318 VanDerWaalsContact CA-OE2 3.31Å; K314-E318 WeakPolarHBondContact CA-OE2 3.34Å; K314-E318 HydrophobicContact CB-CB 4.2Å; K314-E318 WeakPolarHBondContact CB-OE2 3.24Å; K314-E318 PolarHBondContact NZ-O 3.12Å
315	S	91.3	Very high	95.9	Very high	66 Å²	66	36 Å²	36	46%	0.462	16%	0.163	S	C	.	.			trans	-64.7	153.3	166.7	-67.2	0	0	0	0	110.8	W317 E318	S315-W317 PolarHBondContact O-N 2.98Å; S315-W317 VanDerWaalsContact O-N 3.15Å; S315-E318 PolarHBondContact N-OE2 3.16Å; S315-E318 PolarHBondContact O-N 2.99Å; S315-E318 VanDerWaalsContact O-N 3.07Å
316	F	84.6	Confident	95.9	Very high	116 Å²	116	36 Å²	36	51%	0.509	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-36.8	-179.7	-176.9	-99.9	0	0	0	112.9	A61 L73	A61-F316 HydrophobicContact CB-CD2 4.23Å; L73-F316 HydrophobicContact CD1-CD2 4.41Å
317	W	85.8	Confident	95.9	Very high	231 Å²	231	35.8 Å²	35.8	88%	0.875	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.8	-10.2	-177.6	-50.1	106.3	0	0	0	114.6	S315	S315-W317 PolarHBondContact O-N 2.98Å; S315-W317 VanDerWaalsContact O-N 3.15Å
318	E	91	Very high	95.8	Very high	88 Å²	88	36 Å²	36	41%	0.411	16%	0.163	S	C	.	.			trans	-76.6	137.6	179.8	-73.5	174.7	153.4	0	0	110.9	K314 S315 Y320	K314-E318 VanDerWaalsContact CA-OE2 3.31Å; K314-E318 WeakPolarHBondContact CA-OE2 3.34Å; K314-E318 HydrophobicContact CB-CB 4.2Å; K314-E318 WeakPolarHBondContact CB-OE2 3.24Å; K314-E318 PolarHBondContact NZ-O 3.12Å; S315-E318 PolarHBondContact N-OE2 3.16Å; S315-E318 PolarHBondContact O-N 2.99Å; S315-E318 VanDerWaalsContact O-N 3.07Å; E318-Y320 VanDerWaalsContact C-N 3.32Å; E318-Y320 PolarHBondContact O-N 3.42Å
319	Q	88.8	Confident	95.8	Very high	167 Å²	167	36 Å²	36	78%	0.78	16%	0.163	S	C	*	.	S	Bend	trans	-72.3	-26.3	-176	-68	-175.7	-22.7	0	0	113.1
320	Y	94.6	Very high	95.8	Very high	31 Å²	31	36.3 Å²	36.3	12%	0.122	17%	0.165	C	C	.	.			trans	-147.1	158.4	-177.9	54	-95.7	0	0	0	111.5	E318 F398 F401 M402 I409	E318-Y320 VanDerWaalsContact C-N 3.32Å; E318-Y320 PolarHBondContact O-N 3.42Å; Y320-F398 HydrophobicContact CE1-CZ 4.31Å; Y320-F401 HydrophobicContact CE2-CD1 4.34Å; Y320-F401 AromaticContact CE2-CE1 3.82Å; Y320-F401 HydrophobicContact CE2-CE1 3.82Å; Y320-M402 HydrophobicContact CD1-SD 4.03Å; Y320-M402 HydrophobicContact CD2-CG 3.62Å; Y320-M402 HydrophobicContact CD2-SD 3.58Å; Y320-M402 VanDerWaalsContact CD2-SD 3.58Å; Y320-M402 HydrophobicContact CE2-CG 4Å; Y320-M402 HydrophobicContact CE2-SD 4.2Å; Y320-M402 HydrophobicContact CG-CG 4.18Å; Y320-M402 HydrophobicContact CG-SD 3.48Å; Y320-I409 HydrophobicContact CD1-CG2 4.28Å
321	S	97.1	Very high	95.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	17%	0.165	C	C	.	.			trans	-114.6	-163.7	168	-158	0	0	0	0	110.5	P312 I313	P312-S321 WeakPolarHBondContact O-CB 3.45Å; P312-S321 PolarHBondContact O-OG 3.42Å; I313-S321 PolarHBondContact O-OG 2.92Å
322	N	98.5	Very high	95.7	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	17%	0.17	C	C	.	.			trans	-111.8	148.6	160.8	57.5	-75.2	0	0	0	110	H286 R287 A309 T311 M402 V403	H286-N322 WeakPolarHBondContact O-CB 3.3Å; H286-N322 VanDerWaalsContact O-CG 3.23Å; H286-N322 PolarHBondContact O-OD1 2.79Å; R287-N322 PolarHBondContact NH1-OD1 3.22Å; A309-N322 PolarHBondContact O-ND2 3.29Å; T311-N322 PolarHBondContact O-ND2 3.5Å; N322-M402 VanDerWaalsContact CA-O 3.31Å; N322-M402 WeakPolarHBondContact CA-O 3.21Å; N322-V403 HydrophobicContact CB-CB 4.39Å; N322-V403 HydrophobicContact CB-CG2 3.87Å
323	N	98.9	Very high	95.5	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.011	19%	0.189	C	C	.	.			trans	-66.2	155.3	155.3	-80.6	-54	0	0	0	110	G325 Y345 L346 L348 M402 V403 D404 Y405	N323-G325 PolarHBondContact O-N 3.05Å; N323-Y345 HydrophobicContact CB-CD2 3.88Å; N323-L346 VanDerWaalsContact CB-O 3.29Å; N323-L346 WeakPolarHBondContact CB-O 3.31Å; N323-L346 PolarHBondContact OD1-O 2.68Å; N323-L348 PolarHBondContact OD1-N 3.49Å; N323-L348 VanDerWaalsContact OD1-N 3.17Å; N323-M402 PolarHBondContact N-O 2.74Å; N323-V403 HydrophobicContact CB-CB 4.1Å; N323-V403 HydrophobicContact CB-CG1 4.03Å; N323-V403 VanDerWaalsContact CB-O 3.32Å; N323-V403 WeakPolarHBondContact CB-O 3.41Å; N323-V403 PolarHBondContact ND2-O 2.9Å; N323-D404 PolarHBondContact ND2-O 2.99Å; N323-Y405 WeakPolarHBondContact ND2-CA 3.47Å; N323-Y405 PolarHBondContact ND2-N 3.39Å
324	P	98.9	Very high	95.2	Very high	0 Å²	0	49 Å²	49	0%	0	23%	0.225	C	C	.	.			trans	-54.7	130.3	169.6	-28	37.6	0	0	0	111.5	L80 V310 P312 Y345 L346 W359	L80-P324 HydrophobicContact CD1-CB 3.95Å; L80-P324 HydrophobicContact CD1-CG 3.82Å; L80-P324 HydrophobicContact CD2-CB 4.23Å; L80-P324 HydrophobicContact CD2-CG 3.79Å; L80-P324 HydrophobicContact CG-CG 4.39Å; V310-P324 WeakPolarHBondContact O-CA 3.32Å; V310-P324 WeakPolarHBondContact O-CB 3.34Å; V310-P324 WeakPolarHBondContact O-CG 3.41Å; P312-P324 HydrophobicContact CB-CG 4.16Å; P324-Y345 VanDerWaalsContact O-CA 3.22Å; P324-Y345 WeakPolarHBondContact O-CA 3.23Å; P324-Y345 WeakPolarHBondContact O-CB 3.48Å; P324-L346 HydrophobicContact CB-CB 4.25Å; P324-L346 WeakPolarHBondContact CD-O 3.4Å; P324-L346 PolarHBondContact O-N 3.17Å; P324-W359 HydrophobicContact CB-CH2 3.58Å; P324-W359 HydrophobicContact CB-CZ2 4.17Å; P324-W359 HydrophobicContact CB-CZ3 4.35Å; P324-W359 WeakPolarHBondContact O-CZ3 3.38Å
325	G	98.8	Very high	95.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	153.3	-176.9	0	0	0	0	0	114.2	A309 N323 Y344	A309-G325 CarbonylContact C-O 3.57Å; A309-G325 PolarHBondContact O-N 3.36Å; N323-G325 PolarHBondContact O-N 3.05Å; G325-Y344 VanDerWaalsContact CA-O 3.28Å; G325-Y344 WeakPolarHBondContact CA-O 3.49Å
326	F	98.5	Very high	95.5	Very high	0 Å²	0	49 Å²	49	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	163.2	165.5	59.7	-101.2	0	0	0	108.8	W34 I36 A84 M88 Q343 Y344 W359	W34-F326 AromaticContact CE3-CD2 3.96Å; W34-F326 HydrophobicContact CE3-CD2 3.96Å; W34-F326 HydrophobicContact CE3-CE2 4.3Å; W34-F326 HydrophobicContact CH2-CE2 4.13Å; W34-F326 AromaticContact CZ3-CD2 3.66Å; W34-F326 HydrophobicContact CZ3-CD2 3.66Å; W34-F326 AromaticContact CZ3-CE2 3.62Å; W34-F326 HydrophobicContact CZ3-CE2 3.62Å; I36-F326 HydrophobicContact CG2-CB 4.1Å; A84-F326 HydrophobicContact CB-CD1 4.05Å; A84-F326 HydrophobicContact CB-CE1 4.06Å; M88-F326 HydrophobicContact CG-CD1 4.12Å; M88-F326 HydrophobicContact CG-CD2 3.64Å; M88-F326 HydrophobicContact CG-CE1 3.77Å; M88-F326 HydrophobicContact CG-CE2 3.28Å; M88-F326 HydrophobicContact CG-CG 4.07Å; M88-F326 HydrophobicContact CG-CZ 3.36Å; M88-F326 HydrophobicContact SD-CB 4.4Å; M88-F326 HydrophobicContact SD-CD1 3.97Å; M88-F326 HydrophobicContact SD-CD2 3.88Å; M88-F326 HydrophobicContact SD-CE1 4.19Å; M88-F326 HydrophobicContact SD-CE2 4.14Å; M88-F326 HydrophobicContact SD-CG 3.82Å; M88-F326 HydrophobicContact SD-CZ 4.29Å; F326-Q343 PolarHBondContact O-NE2 3.11Å; F326-Y344 HydrophobicContact CD2-CD2 4.12Å; F326-Y344 HydrophobicContact CD2-CG 4.26Å; F326-Y344 VanDerWaalsContact CE2-CB 3.45Å; F326-Y344 HydrophobicContact CE2-CD1 4.35Å; F326-Y344 AromaticContact CE2-CD2 3.73Å; F326-Y344 HydrophobicContact CE2-CD2 3.73Å; F326-Y344 AromaticContact CE2-CG 3.59Å; F326-Y344 HydrophobicContact CE2-CG 3.59Å; F326-Y344 HydrophobicContact CZ-CG 4.1Å; F326-Y344 PolarHBondContact N-O 3.26Å; F326-Y344 PolarHBondContact O-N 2.9Å; F326-W359 AromaticContact CD1-CE3 3.85Å; F326-W359 HydrophobicContact CD1-CE3 3.85Å; F326-W359 AromaticContact CD1-CH2 3.92Å; F326-W359 HydrophobicContact CD1-CH2 3.92Å; F326-W359 AromaticContact CD1-CZ3 3.47Å; F326-W359 HydrophobicContact CD1-CZ3 3.47Å; F326-W359 VanDerWaalsContact CD1-CZ3 3.47Å; F326-W359 AromaticContact CE1-CD2 3.72Å; F326-W359 HydrophobicContact CE1-CD2 3.72Å; F326-W359 AromaticContact CE1-CE3 3.24Å; F326-W359 HydrophobicContact CE1-CE3 3.24Å; F326-W359 HydrophobicContact CE1-CG 4.48Å; F326-W359 AromaticContact CE1-CH2 3.99Å; F326-W359 HydrophobicContact CE1-CH2 3.99Å; F326-W359 HydrophobicContact CE1-CZ2 4.4Å; F326-W359 AromaticContact CE1-CZ3 3.39Å; F326-W359 HydrophobicContact CE1-CZ3 3.39Å; F326-W359 HydrophobicContact CZ-CD2 4.44Å; F326-W359 AromaticContact CZ-CE3 4Å; F326-W359 HydrophobicContact CZ-CE3 4Å; F326-W359 HydrophobicContact CZ-CZ3 4.46Å
327	R	98.6	Very high	96.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.5	-175.9	62.5	178.4	58.7	172.1	-4	114.5	W34 H35 D288 V306 Y329 I341 W342 Q343	W34-R327 CarbonylContact C-O 3.59Å; W34-R327 WeakPolarHBondContact CA-O 3.48Å; H35-R327 HydrophobicContact CB-CG 3.96Å; H35-R327 PolarHBondContact N-O 3.45Å; H35-R327 PolarHBondContact O-N 3.09Å; D288-R327 IonicContact OD1-CZ 3.34Å; D288-R327 IonicContact OD1-NH1 3.98Å; D288-R327 IonicContact OD1-NH2 3.49Å; D288-R327 PolarHBondContact OD1-NH2 3.17Å; D288-R327 IonicContact OD2-NH2 3.58Å; D288-R327 PolarHBondContact OD2-NH2 3.3Å; V306-R327 PolarHBondContact O-NH1 2.99Å; V306-R327 VanDerWaalsContact O-NH1 3.09Å; V306-R327 PolarHBondContact O-NH2 3.36Å; R327-Y329 VanDerWaalsContact CD-CZ 3.42Å; R327-Y329 WeakPolarHBondContact CD-OH 3.37Å; R327-Y329 HydrophobicContact CG-CD2 4.33Å; R327-Y329 HydrophobicContact CG-CE2 3.68Å; R327-Y329 PolarHBondContact NH1-OH 3.32Å; R327-I341 HydrophobicContact CB-CG2 4.16Å; R327-W342 WeakPolarHBondContact CA-O 3.43Å; R327-Q343 VanDerWaalsContact CZ-OE1 3.3Å
328	M	98.7	Very high	96.6	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.015	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	139.1	167.3	180	73.9	90.1	0	0	109.1	R32 F33 W34 L330 I341 W342 Y344	R32-M328 HydrophobicContact CB-CE 4.24Å; R32-M328 HydrophobicContact CB-CG 4.29Å; R32-M328 HydrophobicContact CB-SD 3.64Å; F33-M328 WeakPolarHBondContact O-CA 3.27Å; W34-M328 HydrophobicContact CD2-CB 4.3Å; W34-M328 HydrophobicContact CD2-CE 3.69Å; W34-M328 HydrophobicContact CD2-SD 3.91Å; W34-M328 HydrophobicContact CE3-CB 3.74Å; W34-M328 HydrophobicContact CE3-CE 4.29Å; W34-M328 HydrophobicContact CE3-SD 4.31Å; W34-M328 HydrophobicContact CG-CE 4.21Å; W34-M328 HydrophobicContact CG-SD 4.15Å; W34-M328 HydrophobicContact CH2-CB 4.08Å; W34-M328 HydrophobicContact CH2-CE 3.94Å; W34-M328 HydrophobicContact CZ2-CE 3.3Å; W34-M328 HydrophobicContact CZ2-SD 4.48Å; W34-M328 HydrophobicContact CZ3-CB 3.61Å; W34-M328 HydrophobicContact CZ3-CE 4.39Å; M328-L330 HydrophobicContact CG-CD1 4.29Å; M328-I341 WeakPolarHBondContact O-CA 3.25Å; M328-W342 HydrophobicContact CB-CB 4.26Å; M328-W342 PolarHBondContact N-O 3.17Å; M328-W342 PolarHBondContact O-N 3.34Å; M328-Y344 HydrophobicContact CB-CE2 4.5Å
329	Y	98.7	Very high	97	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	141.8	168.3	-69.5	-95.5	0	0	0	110.4	R32 F33 H35 F281 F305 R327 V338 D340 I341	R32-Y329 WeakPolarHBondContact CA-O 3.32Å; F33-Y329 AromaticContact CD2-CD2 3.97Å; F33-Y329 HydrophobicContact CD2-CD2 3.97Å; F33-Y329 HydrophobicContact CD2-CG 4.42Å; F33-Y329 HydrophobicContact CE1-CG 4.06Å; F33-Y329 AromaticContact CE2-CD2 3.27Å; F33-Y329 HydrophobicContact CE2-CD2 3.27Å; F33-Y329 AromaticContact CE2-CE2 3.99Å; F33-Y329 HydrophobicContact CE2-CE2 3.99Å; F33-Y329 AromaticContact CE2-CG 3.62Å; F33-Y329 HydrophobicContact CE2-CG 3.62Å; F33-Y329 HydrophobicContact CZ-CD1 4.1Å; F33-Y329 AromaticContact CZ-CD2 3.61Å; F33-Y329 HydrophobicContact CZ-CD2 3.61Å; F33-Y329 HydrophobicContact CZ-CE2 4.43Å; F33-Y329 AromaticContact CZ-CG 3.4Å; F33-Y329 HydrophobicContact CZ-CG 3.4Å; F33-Y329 PolarHBondContact N-O 3.43Å; F33-Y329 VanDerWaalsContact N-O 3.08Å; F33-Y329 PolarHBondContact O-N 3.09Å; H35-Y329 HydrophobicContact CB-CD2 4.07Å; H35-Y329 HydrophobicContact CB-CE2 3.54Å; H35-Y329 AromaticContact ND1-CE2 3.7Å; F281-Y329 HydrophobicContact CD1-CD1 4.36Å; F281-Y329 AromaticContact CD1-CE1 3.75Å; F281-Y329 HydrophobicContact CD1-CE1 3.75Å; F281-Y329 AromaticContact CD1-CE2 3.97Å; F281-Y329 HydrophobicContact CD1-CE2 3.97Å; F281-Y329 AromaticContact CD1-CZ 3.53Å; F281-Y329 AromaticContact CE1-CD1 3.75Å; F281-Y329 HydrophobicContact CE1-CD1 3.75Å; F281-Y329 HydrophobicContact CE1-CD2 4.48Å; F281-Y329 AromaticContact CE1-CE1 3.5Å; F281-Y329 HydrophobicContact CE1-CE1 3.5Å; F281-Y329 VanDerWaalsContact CE1-CE1 3.5Å; F281-Y329 HydrophobicContact CE1-CE2 4.27Å; F281-Y329 HydrophobicContact CE1-CG 4.23Å; F281-Y329 AromaticContact CE1-CZ 3.79Å; F305-Y329 HydrophobicContact CB-CE1 4.07Å; F305-Y329 WeakPolarHBondContact CB-OH 3.49Å; F305-Y329 HydrophobicContact CD1-CE1 4.32Å; F305-Y329 AromaticContact CD2-CE1 3.86Å; F305-Y329 HydrophobicContact CD2-CE1 3.86Å; F305-Y329 HydrophobicContact CE2-CE1 4.38Å; F305-Y329 AromaticContact CG-CE1 3.82Å; F305-Y329 HydrophobicContact CG-CE1 3.82Å; R327-Y329 VanDerWaalsContact CD-CZ 3.42Å; R327-Y329 WeakPolarHBondContact CD-OH 3.37Å; R327-Y329 HydrophobicContact CG-CD2 4.33Å; R327-Y329 HydrophobicContact CG-CE2 3.68Å; R327-Y329 PolarHBondContact NH1-OH 3.32Å; Y329-V338 HydrophobicContact CD1-CG1 3.76Å; Y329-V338 HydrophobicContact CE1-CG1 4.46Å; Y329-D340 WeakPolarHBondContact CA-O 3.36Å; Y329-I341 HydrophobicContact CD1-CD1 4.1Å; Y329-I341 HydrophobicContact CD1-CG1 3.49Å; Y329-I341 VanDerWaalsContact CD1-CG1 3.49Å; Y329-I341 HydrophobicContact CE1-CD1 3.47Å; Y329-I341 VanDerWaalsContact CE1-CD1 3.47Å; Y329-I341 HydrophobicContact CE1-CG1 3.38Å; Y329-I341 HydrophobicContact CG-CG1 4.36Å
330	L	98.3	Very high	97.4	Very high	7 Å²	7	23.5 Å²	23.5	4%	0.037	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	139.3	165	-76.3	71.5	0	0	0	108.4	G31 R32 M328 M339 D340 W342	G31-L330 WeakPolarHBondContact O-CA 3.31Å; R32-L330 HydrophobicContact CG-CG 4.36Å; M328-L330 HydrophobicContact CG-CD1 4.29Å; L330-M339 HydrophobicContact CB-CB 4.42Å; L330-M339 PolarHBondContact O-N 2.75Å; L330-D340 HydrophobicContact CB-CB 4.11Å; L330-D340 HydrophobicContact CD1-CB 4.47Å; L330-D340 PolarHBondContact N-O 3.38Å; L330-D340 PolarHBondContact O-N 3.29Å; L330-W342 HydrophobicContact CD1-CD2 4.12Å; L330-W342 HydrophobicContact CD1-CG 4.2Å; L330-W342 HydrophobicContact CD1-CZ2 4.39Å; L330-W342 HydrophobicContact CD2-CZ2 4.34Å
331	Y	97.9	Very high	97.6	Very high	4 Å²	4	22 Å²	22	2%	0.016	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	154.3	176.2	63.3	-88.7	0	0	0	112.3	T30 G31 R32 F33 F97 K191 Y239 Y336 S337	T30-Y331 CarbonylContact C-O 3.48Å; T30-Y331 WeakPolarHBondContact CA-O 3.3Å; T30-Y331 WeakPolarHBondContact CB-O 3.3Å; G31-Y331 PolarHBondContact N-O 3.47Å; G31-Y331 WeakPolarHBondContact O-CD1 3.37Å; G31-Y331 PolarHBondContact O-N 3Å; R32-Y331 VanDerWaalsContact N-CE1 3.25Å; F33-Y331 AromaticContact CD1-CD1 3.58Å; F33-Y331 HydrophobicContact CD1-CD1 3.58Å; F33-Y331 AromaticContact CD1-CE1 3.71Å; F33-Y331 HydrophobicContact CD1-CE1 3.71Å; F33-Y331 AromaticContact CE1-CD1 3.83Å; F33-Y331 HydrophobicContact CE1-CD1 3.83Å; F33-Y331 HydrophobicContact CE1-CE1 4.39Å; F97-Y331 HydrophobicContact CE1-CE1 4.05Å; K191-Y331 WeakPolarHBondContact CE-OH 3.39Å; K191-Y331 PolarHBondContact NZ-OH 3.09Å; Y239-Y331 WeakPolarHBondContact OH-CB 3.24Å; Y239-Y331 VanDerWaalsContact OH-CG 3.26Å; Y331-Y336 HydrophobicContact CD2-CD1 4.05Å; Y331-Y336 AromaticContact CE2-CD1 3.99Å; Y331-Y336 HydrophobicContact CE2-CD1 3.99Å; Y331-S337 CarbonylContact C-O 3.56Å; Y331-S337 WeakPolarHBondContact CA-O 3.4Å; Y331-S337 WeakPolarHBondContact CB-O 3.48Å
332	S	96.8	Very high	97.7	Very high	16 Å²	16	23.1 Å²	23.1	11%	0.112	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	127.2	177	158.2	0	0	0	0	111	K334 D335 Y336 S337	S332-K334 PolarHBondContact O-N 3.29Å; S332-K334 PolarHBondContact OG-N 2.98Å; S332-D335 WeakPolarHBondContact CB-OD1 3.37Å; S332-D335 PolarHBondContact OG-N 3.4Å; S332-D335 PolarHBondContact OG-OD1 2.92Å; S332-Y336 WeakPolarHBondContact O-CA 3.49Å; S332-Y336 PolarHBondContact O-N 2.8Å; S332-S337 PolarHBondContact N-O 3.37Å
333	N	94.4	Very high	97.7	Very high	71 Å²	71	23.1 Å²	23.1	38%	0.38	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-3.9	173.6	-72.8	-39.9	0	0	0	113.2	G29 T30 G31 K191	G29-N333 VanDerWaalsContact O-CB 3.26Å; G29-N333 WeakPolarHBondContact O-CB 3.22Å; G29-N333 PolarHBondContact O-N 2.92Å; G29-N333 PolarHBondContact O-ND2 3.4Å; T30-N333 VanDerWaalsContact C-ND2 3.25Å; T30-N333 PolarHBondContact O-ND2 3.47Å; G31-N333 PolarHBondContact N-ND2 3.33Å; G31-N333 PolarHBondContact N-OD1 3.42Å; K191-N333 PolarHBondContact NZ-OD1 3.48Å
334	K	93.5	Very high	97.7	Very high	195 Å²	195	23.3 Å²	23.3	85%	0.848	11%	0.113	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-42.6	179.6	-64	-179.3	-179.8	175.5	0	112.5	S332	S332-K334 PolarHBondContact O-N 3.29Å; S332-K334 PolarHBondContact OG-N 2.98Å
335	D	94.8	Very high	97.7	Very high	65 Å²	65	24.3 Å²	24.3	35%	0.348	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-138.8	3.2	-170.4	62	0.5	0	0	0	113.6	S332 S337	S332-D335 WeakPolarHBondContact CB-OD1 3.37Å; S332-D335 PolarHBondContact OG-N 3.4Å; S332-D335 PolarHBondContact OG-OD1 2.92Å; D335-S337 PolarHBondContact O-N 3.24Å; D335-S337 VanDerWaalsContact O-N 3.16Å; D335-S337 WeakPolarHBondContact OD1-CB 3.26Å; D335-S337 PolarHBondContact OD1-N 3.48Å; D335-S337 VanDerWaalsContact OD1-N 3.14Å; D335-S337 PolarHBondContact OD1-OG 3.25Å
336	Y	97.8	Very high	97.7	Very high	32 Å²	32	24.4 Å²	24.4	13%	0.125	12%	0.117	C	C	.	.			trans	57.9	21.8	-179.2	-44.8	-80.8	0	0	0	113.7	K191 P192 G193 L194 K237 Y239 A278 Y331 S332	K191-Y336 HydrophobicContact CD-CE1 4.49Å; P192-Y336 PolarHBondContact O-OH 2.9Å; G193-Y336 VanDerWaalsContact O-CE2 3.31Å; G193-Y336 WeakPolarHBondContact O-CE2 3.34Å; L194-Y336 HydrophobicContact CB-CD1 3.88Å; L194-Y336 HydrophobicContact CB-CD2 4.41Å; L194-Y336 HydrophobicContact CB-CE1 3.77Å; L194-Y336 HydrophobicContact CB-CE2 4.32Å; L194-Y336 HydrophobicContact CB-CG 4.19Å; L194-Y336 HydrophobicContact CD1-CD1 4.28Å; L194-Y336 HydrophobicContact CD1-CG 4.04Å; L194-Y336 HydrophobicContact CD2-CD1 3.88Å; L194-Y336 HydrophobicContact CD2-CE1 4.35Å; L194-Y336 HydrophobicContact CD2-CG 4.46Å; L194-Y336 HydrophobicContact CG-CD1 4.23Å; L194-Y336 HydrophobicContact CG-CG 4.46Å; K237-Y336 HydrophobicContact CB-CD2 3.62Å; K237-Y336 HydrophobicContact CB-CE2 4.42Å; K237-Y336 HydrophobicContact CB-CG 4.32Å; K237-Y336 HydrophobicContact CG-CD2 3.76Å; K237-Y336 HydrophobicContact CG-CE2 4.48Å; Y239-Y336 VanDerWaalsContact CE1-O 3.23Å; Y239-Y336 WeakPolarHBondContact CE1-O 3.44Å; Y239-Y336 PolarHBondContact OH-O 3.36Å; A278-Y336 WeakPolarHBondContact CB-O 3.5Å; Y331-Y336 HydrophobicContact CD2-CD1 4.05Å; Y331-Y336 AromaticContact CE2-CD1 3.99Å; Y331-Y336 HydrophobicContact CE2-CD1 3.99Å; S332-Y336 WeakPolarHBondContact O-CA 3.49Å; S332-Y336 PolarHBondContact O-N 2.8Å
337	S	97.3	Very high	97.7	Very high	14 Å²	14	26.4 Å²	26.4	10%	0.098	13%	0.127	C	C	.	.			trans	-65.8	141.7	169.7	56.1	0	0	0	0	110.5	Y331 S332 D335 M339	Y331-S337 CarbonylContact C-O 3.56Å; Y331-S337 WeakPolarHBondContact CA-O 3.4Å; Y331-S337 WeakPolarHBondContact CB-O 3.48Å; S332-S337 PolarHBondContact N-O 3.37Å; D335-S337 PolarHBondContact O-N 3.24Å; D335-S337 VanDerWaalsContact O-N 3.16Å; D335-S337 WeakPolarHBondContact OD1-CB 3.26Å; D335-S337 PolarHBondContact OD1-N 3.48Å; D335-S337 VanDerWaalsContact OD1-N 3.14Å; D335-S337 PolarHBondContact OD1-OG 3.25Å; S337-M339 PolarHBondContact O-N 2.89Å
338	V	98	Very high	97.7	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.018	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	124.3	176.2	-175.1	0	0	0	0	109.2	F281 F305 Y329 L374	F281-V338 HydrophobicContact CE1-CG2 4.17Å; F281-V338 HydrophobicContact CZ-CG2 3.83Å; F305-V338 HydrophobicContact CE2-CB 4.11Å; F305-V338 HydrophobicContact CE2-CG1 4.04Å; F305-V338 HydrophobicContact CE2-CG2 3.97Å; F305-V338 HydrophobicContact CZ-CB 4.24Å; F305-V338 HydrophobicContact CZ-CG1 4Å; Y329-V338 HydrophobicContact CD1-CG1 3.76Å; Y329-V338 HydrophobicContact CE1-CG1 4.46Å; V338-L374 HydrophobicContact CB-CB 4.41Å; V338-L374 HydrophobicContact CG1-CB 4.11Å; V338-L374 HydrophobicContact CG1-CD1 4.03Å; V338-L374 CarbonylContact O-C 3.48Å; V338-L374 PolarHBondContact O-N 2.86Å
339	M	98.1	Very high	97.7	Very high	37 Å²	37	29.5 Å²	29.5	18%	0.182	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	-36.3	-174.4	-61.4	-55.9	-58.8	0	0	112.3	L330 S337 T366 D373	L330-M339 HydrophobicContact CB-CB 4.42Å; L330-M339 PolarHBondContact O-N 2.75Å; S337-M339 PolarHBondContact O-N 2.89Å; M339-T366 WeakPolarHBondContact O-CG2 3.38Å; M339-D373 HydrophobicContact CE-CB 3.68Å; M339-D373 WeakPolarHBondContact O-CA 3.33Å; M339-D373 HydrophobicContact SD-CB 4.18Å
340	D	98.4	Very high	97.7	Very high	14 Å²	14	31.3 Å²	31.3	8%	0.075	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	163.3	-178	-146.2	-17.8	0	0	0	112.6	Y329 L330 I364 M365 T366 L374	Y329-D340 WeakPolarHBondContact CA-O 3.36Å; L330-D340 HydrophobicContact CB-CB 4.11Å; L330-D340 HydrophobicContact CD1-CB 4.47Å; L330-D340 PolarHBondContact N-O 3.38Å; L330-D340 PolarHBondContact O-N 3.29Å; D340-I364 WeakPolarHBondContact OD2-CG2 3.49Å; D340-M365 PolarHBondContact OD1-N 3.26Å; D340-T366 HydrophobicContact CB-CG2 4.18Å; D340-T366 VanDerWaalsContact CG-CG2 3.47Å; D340-T366 VanDerWaalsContact CG-OG1 3.28Å; D340-T366 WeakPolarHBondContact OD1-CG2 3Å; D340-T366 PolarHBondContact OD1-N 2.88Å; D340-T366 VanDerWaalsContact OD1-N 3.08Å; D340-T366 PolarHBondContact OD1-OG1 2.91Å; D340-T366 PolarHBondContact OD2-OG1 2.72Å; D340-L374 VanDerWaalsContact C-CD1 3.48Å
341	I	98.6	Very high	97.7	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.1	171.2	-71.9	166.2	0	0	0	108.2	F305 R327 M328 Y329 Q343 I364 M365 L374	F305-I341 HydrophobicContact CD1-CD1 3.44Å; F305-I341 VanDerWaalsContact CD1-CD1 3.44Å; F305-I341 HydrophobicContact CE1-CD1 3.7Å; F305-I341 HydrophobicContact CG-CD1 4.12Å; R327-I341 HydrophobicContact CB-CG2 4.16Å; M328-I341 WeakPolarHBondContact O-CA 3.25Å; Y329-I341 HydrophobicContact CD1-CD1 4.1Å; Y329-I341 HydrophobicContact CD1-CG1 3.49Å; Y329-I341 VanDerWaalsContact CD1-CG1 3.49Å; Y329-I341 HydrophobicContact CE1-CD1 3.47Å; Y329-I341 VanDerWaalsContact CE1-CD1 3.47Å; Y329-I341 HydrophobicContact CE1-CG1 3.38Å; Y329-I341 HydrophobicContact CG-CG1 4.36Å; I341-Q343 HydrophobicContact CG2-CB 4.41Å; I341-I364 WeakPolarHBondContact O-CA 3.47Å; I341-M365 HydrophobicContact CB-CB 4Å; I341-M365 HydrophobicContact CB-SD 4.48Å; I341-M365 HydrophobicContact CD1-SD 3.86Å; I341-M365 PolarHBondContact O-N 2.95Å; I341-L374 HydrophobicContact CB-CD1 4.09Å; I341-L374 HydrophobicContact CD1-CD1 3.68Å; I341-L374 HydrophobicContact CG1-CD1 3.52Å
342	W	98.6	Very high	97.7	Very high	22 Å²	22	32.1 Å²	32.1	8%	0.083	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	102.9	168.4	-61.9	6.7	0	0	0	107.2	P21 R327 M328 L330 Y344 L361 I364	P21-W342 HydrophobicContact CB-CH2 4.05Å; P21-W342 HydrophobicContact CG-CH2 3.68Å; P21-W342 HydrophobicContact CG-CZ2 4.11Å; P21-W342 HydrophobicContact CG-CZ3 4.07Å; R327-W342 WeakPolarHBondContact CA-O 3.43Å; M328-W342 HydrophobicContact CB-CB 4.26Å; M328-W342 PolarHBondContact N-O 3.17Å; M328-W342 PolarHBondContact O-N 3.34Å; L330-W342 HydrophobicContact CD1-CD2 4.12Å; L330-W342 HydrophobicContact CD1-CG 4.2Å; L330-W342 HydrophobicContact CD1-CZ2 4.39Å; L330-W342 HydrophobicContact CD2-CZ2 4.34Å; W342-Y344 HydrophobicContact CB-CE2 3.94Å; W342-Y344 WeakPolarHBondContact O-CD2 3.34Å; W342-L361 HydrophobicContact CB-CD1 3.9Å; W342-I364 HydrophobicContact CG-CG1 4.14Å
343	Q	98.9	Very high	97.8	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.4	179.8	-180	63.3	55.2	0	0	108.9	F326 R327 I341 E362 Y363	F326-Q343 PolarHBondContact O-NE2 3.11Å; R327-Q343 VanDerWaalsContact CZ-OE1 3.3Å; I341-Q343 HydrophobicContact CG2-CB 4.41Å; Q343-E362 HydrophobicContact CB-CB 4.39Å; Q343-E362 HydrophobicContact CG-CB 4.14Å; Q343-E362 WeakPolarHBondContact CG-OE2 3.11Å; Q343-E362 WeakPolarHBondContact O-CB 3.39Å; Q343-E362 PolarHBondContact O-N 3.28Å; Q343-Y363 HydrophobicContact CB-CD1 3.76Å; Q343-Y363 HydrophobicContact CB-CE1 3.41Å; Q343-Y363 VanDerWaalsContact CB-CE1 3.41Å; Q343-Y363 HydrophobicContact CB-CG 4.45Å; Q343-Y363 HydrophobicContact CG-CD1 4.17Å; Q343-Y363 HydrophobicContact CG-CE1 3.66Å; Q343-Y363 PolarHBondContact N-O 2.79Å; Q343-Y363 PolarHBondContact O-N 2.76Å
344	Y	98.9	Very high	97.9	Very high	7 Å²	7	40.6 Å²	40.6	3%	0.027	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	150.1	175	-65	-98.6	0	0	0	109.4	A20 W34 L91 G325 F326 M328 W342 R360 L361	A20-Y344 HydrophobicContact CB-CE1 4.15Å; W34-Y344 HydrophobicContact CH2-CD2 4.25Å; W34-Y344 AromaticContact CH2-CE2 3.73Å; W34-Y344 HydrophobicContact CH2-CE2 3.73Å; W34-Y344 AromaticContact CZ3-CD2 3.83Å; W34-Y344 HydrophobicContact CZ3-CD2 3.83Å; W34-Y344 AromaticContact CZ3-CE2 3.66Å; W34-Y344 HydrophobicContact CZ3-CE2 3.66Å; L91-Y344 HydrophobicContact CD1-CD1 4.48Å; L91-Y344 HydrophobicContact CD1-CE1 3.76Å; G325-Y344 VanDerWaalsContact CA-O 3.28Å; G325-Y344 WeakPolarHBondContact CA-O 3.49Å; F326-Y344 HydrophobicContact CD2-CD2 4.12Å; F326-Y344 HydrophobicContact CD2-CG 4.26Å; F326-Y344 VanDerWaalsContact CE2-CB 3.45Å; F326-Y344 HydrophobicContact CE2-CD1 4.35Å; F326-Y344 AromaticContact CE2-CD2 3.73Å; F326-Y344 HydrophobicContact CE2-CD2 3.73Å; F326-Y344 AromaticContact CE2-CG 3.59Å; F326-Y344 HydrophobicContact CE2-CG 3.59Å; F326-Y344 HydrophobicContact CZ-CG 4.1Å; F326-Y344 PolarHBondContact N-O 3.26Å; F326-Y344 PolarHBondContact O-N 2.9Å; M328-Y344 HydrophobicContact CB-CE2 4.5Å; W342-Y344 HydrophobicContact CB-CE2 3.94Å; W342-Y344 WeakPolarHBondContact O-CD2 3.34Å; Y344-R360 CarbonylContact C-O 3.47Å; Y344-R360 VanDerWaalsContact CA-O 3.3Å; Y344-R360 WeakPolarHBondContact CA-O 3.43Å; Y344-L361 HydrophobicContact CD1-CD1 4.37Å; Y344-L361 HydrophobicContact CD2-CD1 4.47Å; Y344-L361 HydrophobicContact CE1-CB 4.39Å; Y344-L361 HydrophobicContact CE1-CD1 4.02Å; Y344-L361 HydrophobicContact CE2-CD1 4.13Å
345	Y	98.8	Very high	98.1	Very high	21 Å²	21	38.5 Å²	38.5	8%	0.082	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	162.9	176.3	85.8	-65.7	0	0	0	112.8	N323 P324 N347 W359 R360 E362 V403 D404	N323-Y345 HydrophobicContact CB-CD2 3.88Å; P324-Y345 VanDerWaalsContact O-CA 3.22Å; P324-Y345 WeakPolarHBondContact O-CA 3.23Å; P324-Y345 WeakPolarHBondContact O-CB 3.48Å; Y345-N347 HydrophobicContact CE2-CB 4.04Å; Y345-W359 WeakPolarHBondContact O-CA 3.44Å; Y345-R360 HydrophobicContact CD1-CG 3.77Å; Y345-R360 HydrophobicContact CE1-CG 3.44Å; Y345-R360 VanDerWaalsContact CE1-CG 3.44Å; Y345-R360 VanDerWaalsContact CE1-NE 3.31Å; Y345-R360 PolarHBondContact N-O 2.69Å; Y345-R360 PolarHBondContact O-N 3.24Å; Y345-R360 VanDerWaalsContact OH-CZ 3.27Å; Y345-R360 PolarHBondContact OH-NE 3.07Å; Y345-R360 PolarHBondContact OH-NH2 2.61Å; Y345-E362 HydrophobicContact CD1-CB 3.53Å; Y345-E362 HydrophobicContact CD1-CG 3.89Å; Y345-E362 HydrophobicContact CE1-CB 3.97Å; Y345-E362 HydrophobicContact CE1-CG 4.03Å; Y345-E362 HydrophobicContact CG-CB 4.25Å; Y345-E362 HydrophobicContact CG-CG 4.41Å; Y345-V403 HydrophobicContact CD2-CG1 4.3Å; Y345-V403 HydrophobicContact CG-CG1 4.1Å; Y345-D404 HydrophobicContact CE2-CB 4.25Å
346	L	98.9	Very high	98.2	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	20%	0.196	C	C	.	.			trans	-112	121.2	167.1	-176.4	66.2	0	0	0	108.9	L80 N323 P324 L348 A351 W359	L80-L346 HydrophobicContact CD1-CD2 3.64Å; N323-L346 VanDerWaalsContact CB-O 3.29Å; N323-L346 WeakPolarHBondContact CB-O 3.31Å; N323-L346 PolarHBondContact OD1-O 2.68Å; P324-L346 HydrophobicContact CB-CB 4.25Å; P324-L346 WeakPolarHBondContact CD-O 3.4Å; P324-L346 PolarHBondContact O-N 3.17Å; L346-L348 PolarHBondContact O-N 3.36Å; L346-A351 HydrophobicContact CD1-CB 3.79Å; L346-A351 HydrophobicContact CD2-CB 3.93Å; L346-A351 HydrophobicContact CG-CB 3.88Å; L346-W359 HydrophobicContact CB-CD2 3.77Å; L346-W359 HydrophobicContact CB-CE3 3.9Å; L346-W359 HydrophobicContact CB-CG 4.39Å; L346-W359 HydrophobicContact CB-CH2 4Å; L346-W359 HydrophobicContact CB-CZ2 3.85Å; L346-W359 HydrophobicContact CB-CZ3 4.02Å; L346-W359 HydrophobicContact CD1-CG 4.3Å; L346-W359 HydrophobicContact CD2-CZ2 4.22Å
347	N	98.6	Very high	98.1	Very high	41 Å²	41	42.3 Å²	42.3	22%	0.219	20%	0.202	C	C	.	.			trans	-68	100.6	164.7	179.6	-17.8	0	0	0	108.3	Y345 T349 E350 A351	Y345-N347 HydrophobicContact CE2-CB 4.04Å; N347-T349 VanDerWaalsContact C-N 3.28Å; N347-T349 PolarHBondContact O-N 2.91Å; N347-T349 PolarHBondContact OD1-N 3.48Å; N347-E350 HydrophobicContact CB-CB 3.92Å; N347-E350 PolarHBondContact O-N 3.29Å; N347-E350 PolarHBondContact OD1-N 2.77Å; N347-E350 VanDerWaalsContact OD1-N 3.14Å; N347-A351 WeakPolarHBondContact O-CB 3.12Å; N347-A351 PolarHBondContact O-N 3.36Å
348	L	98.7	Very high	98.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.5	-38	-172.3	178.9	61.7	0	0	0	111.9	Y69 F72 P312 N323 L346 A351 N352	Y69-L348 WeakPolarHBondContact O-CD1 3.48Å; F72-L348 HydrophobicContact CD1-CD2 4.03Å; F72-L348 HydrophobicContact CD2-CD2 4.29Å; F72-L348 HydrophobicContact CE1-CB 4.23Å; F72-L348 HydrophobicContact CE1-CD2 3.8Å; F72-L348 HydrophobicContact CE2-CB 4.37Å; F72-L348 HydrophobicContact CE2-CD2 4.09Å; F72-L348 HydrophobicContact CE2-CG 4.5Å; F72-L348 HydrophobicContact CG-CD2 4.27Å; F72-L348 HydrophobicContact CZ-CB 3.77Å; F72-L348 HydrophobicContact CZ-CD2 3.85Å; F72-L348 HydrophobicContact CZ-CG 4.26Å; P312-L348 HydrophobicContact CB-CD2 3.61Å; P312-L348 HydrophobicContact CG-CD2 3.65Å; N323-L348 PolarHBondContact OD1-N 3.49Å; N323-L348 VanDerWaalsContact OD1-N 3.17Å; L346-L348 PolarHBondContact O-N 3.36Å; L348-A351 PolarHBondContact O-N 2.89Å; L348-N352 WeakPolarHBondContact O-CB 3.48Å; L348-N352 PolarHBondContact O-N 2.98Å
349	T	98	Very high	98.1	Very high	68 Å²	68	44.9 Å²	44.9	42%	0.417	21%	0.213	S	C	.	.	H	α-helix	trans	-61.8	-53.1	177.9	-55	0	0	0	0	110.2	N347 A351 N352 E353	N347-T349 VanDerWaalsContact C-N 3.28Å; N347-T349 PolarHBondContact O-N 2.91Å; N347-T349 PolarHBondContact OD1-N 3.48Å; T349-A351 VanDerWaalsContact C-N 3.29Å; T349-A351 PolarHBondContact O-N 3.39Å; T349-N352 PolarHBondContact O-N 2.95Å; T349-E353 WeakPolarHBondContact O-CG 3.41Å; T349-E353 PolarHBondContact O-N 3.42Å
350	E	98.3	Very high	98	Very high	39 Å²	39	47.1 Å²	47.1	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-60.4	-40.3	178.2	-179.8	-179.4	178.7	0	0	111.6	N347 E353 K354 R360	N347-E350 HydrophobicContact CB-CB 3.92Å; N347-E350 PolarHBondContact O-N 3.29Å; N347-E350 PolarHBondContact OD1-N 2.77Å; N347-E350 VanDerWaalsContact OD1-N 3.14Å; E350-E353 PolarHBondContact O-N 2.56Å; E350-K354 HydrophobicContact CG-CD 3.85Å; E350-K354 HydrophobicContact CG-CG 4.48Å; E350-K354 WeakPolarHBondContact O-CB 3.48Å; E350-K354 WeakPolarHBondContact O-CG 3.45Å; E350-K354 PolarHBondContact O-N 3.24Å; E350-K354 IonicContact OE1-NZ 3.68Å; E350-K354 PolarHBondContact OE1-NZ 3.32Å; E350-R360 IonicContact OE1-NH1 3.74Å; E350-R360 IonicContact OE2-CZ 3.12Å; E350-R360 IonicContact OE2-NH1 2.7Å; E350-R360 PolarHBondContact OE2-NH1 2.94Å; E350-R360 IonicContact OE2-NH2 2.83Å; E350-R360 PolarHBondContact OE2-NH2 2.79Å
351	A	98.4	Very high	98	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.025	22%	0.22	C	C	.	.	H	α-helix	trans	-65.1	-40.7	-179.1	0	0	0	0	0	112.4	Y69 L346 N347 L348 T349 Q355 R356	Y69-A351 HydrophobicContact CD2-CB 3.78Å; Y69-A351 HydrophobicContact CE2-CB 4.32Å; Y69-A351 HydrophobicContact CG-CB 4.42Å; L346-A351 HydrophobicContact CD1-CB 3.79Å; L346-A351 HydrophobicContact CD2-CB 3.93Å; L346-A351 HydrophobicContact CG-CB 3.88Å; N347-A351 WeakPolarHBondContact O-CB 3.12Å; N347-A351 PolarHBondContact O-N 3.36Å; L348-A351 PolarHBondContact O-N 2.89Å; T349-A351 VanDerWaalsContact C-N 3.29Å; T349-A351 PolarHBondContact O-N 3.39Å; A351-Q355 CarbonylContact O-C 3.58Å; A351-Q355 VanDerWaalsContact O-CA 3.24Å; A351-Q355 WeakPolarHBondContact O-CA 3.38Å; A351-Q355 PolarHBondContact O-N 3.49Å; A351-R356 VanDerWaalsContact CA-O 3.24Å; A351-R356 WeakPolarHBondContact CA-O 3.25Å; A351-R356 WeakPolarHBondContact CB-O 3.19Å; A351-R356 PolarHBondContact O-N 3.13Å
352	N	98.4	Very high	98	Very high	25 Å²	25	48.3 Å²	48.3	13%	0.134	23%	0.225	C	C	.	.	H	α-helix	trans	-70.7	-42.6	176.8	-78.2	-23	0	0	0	112	G67 L68 Y69 G70 L348 T349 K354 Q355	G67-N352 VanDerWaalsContact C-OD1 3.27Å; G67-N352 VanDerWaalsContact CA-CG 3.49Å; G67-N352 WeakPolarHBondContact CA-OD1 3.27Å; L68-N352 PolarHBondContact N-OD1 3.03Å; Y69-N352 PolarHBondContact N-OD1 3.35Å; G70-N352 PolarHBondContact O-ND2 2.89Å; L348-N352 WeakPolarHBondContact O-CB 3.48Å; L348-N352 PolarHBondContact O-N 2.98Å; T349-N352 PolarHBondContact O-N 2.95Å; N352-K354 PolarHBondContact O-N 3.4Å; N352-Q355 PolarHBondContact O-N 3.31Å
353	E	97.9	Very high	98	Very high	153 Å²	153	48 Å²	48	72%	0.715	22%	0.224	S	C	*	.	H	α-helix	trans	-62.1	-42.7	176.7	-73.6	176.6	172.2	0	0	112.3	T349 E350	T349-E353 WeakPolarHBondContact O-CG 3.41Å; T349-E353 PolarHBondContact O-N 3.42Å; E350-E353 PolarHBondContact O-N 2.56Å
354	K	97.6	Very high	98	Very high	111 Å²	111	48.5 Å²	48.5	48%	0.483	23%	0.227	S	C	.	.	H	α-helix	trans	-88.2	-9	-178.2	-65.1	-178.2	-178.5	175.3	0	113.9	E350 N352 R356	E350-K354 HydrophobicContact CG-CD 3.85Å; E350-K354 HydrophobicContact CG-CG 4.48Å; E350-K354 WeakPolarHBondContact O-CB 3.48Å; E350-K354 WeakPolarHBondContact O-CG 3.45Å; E350-K354 PolarHBondContact O-N 3.24Å; E350-K354 IonicContact OE1-NZ 3.68Å; E350-K354 PolarHBondContact OE1-NZ 3.32Å; N352-K354 PolarHBondContact O-N 3.4Å; K354-R356 HydrophobicContact CB-CB 4.44Å; K354-R356 PolarHBondContact O-N 3.39Å
355	Q	96.5	Very high	98	Very high	151 Å²	151	48.3 Å²	48.3	71%	0.706	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	40.8	-169.9	-56.9	-173.4	-3.1	0	0	112.5	A351 N352	A351-Q355 CarbonylContact O-C 3.58Å; A351-Q355 VanDerWaalsContact O-CA 3.24Å; A351-Q355 WeakPolarHBondContact O-CA 3.38Å; A351-Q355 PolarHBondContact O-N 3.49Å; N352-Q355 PolarHBondContact O-N 3.31Å
356	R	97.2	Very high	97.9	Very high	142 Å²	142	48.3 Å²	48.3	54%	0.536	23%	0.228	S	C	.	.			trans	-144.9	130.7	180	-170.6	173.5	67.5	174.7	8.9	111.7	A351 K354 D358	A351-R356 VanDerWaalsContact CA-O 3.24Å; A351-R356 WeakPolarHBondContact CA-O 3.25Å; A351-R356 WeakPolarHBondContact CB-O 3.19Å; A351-R356 PolarHBondContact O-N 3.13Å; K354-R356 HydrophobicContact CB-CB 4.44Å; K354-R356 PolarHBondContact O-N 3.39Å; R356-D358 WeakPolarHBondContact CD-OD1 3.44Å; R356-D358 IonicContact CZ-OD1 2.8Å; R356-D358 IonicContact CZ-OD2 3.79Å; R356-D358 IonicContact NE-OD1 2.72Å; R356-D358 PolarHBondContact NE-OD1 3.22Å; R356-D358 IonicContact NE-OD2 3.65Å; R356-D358 PolarHBondContact NE-OD2 3.16Å; R356-D358 IonicContact NH2-OD1 3.02Å; R356-D358 PolarHBondContact NH2-OD1 2.92Å; R356-D358 IonicContact NH2-OD2 3.68Å; R356-D358 PolarHBondContact NH2-OD2 2.95Å; R356-D358 PolarHBondContact O-N 2.89Å; R356-D358 VanDerWaalsContact O-N 3.14Å
357	S	96.1	Very high	97.9	Very high	36 Å²	36	55.2 Å²	55.2	25%	0.252	26%	0.261	S	S	.	.			trans	-85.1	77.8	178.3	54.6	0	0	0	0	112.3	Y69 S83 W359	Y69-S357 PolarHBondContact OH-N 3.31Å; S83-S357 WeakPolarHBondContact CB-OG 3.47Å; S357-W359 VanDerWaalsContact C-N 3.3Å; S357-W359 PolarHBondContact O-N 3.43Å
358	D	96.6	Very high	97.8	Very high	52 Å²	52	54.2 Å²	54.2	28%	0.278	26%	0.258	S	S	.	.			trans	-82	71.5	176.9	-65.9	-39.1	0	0	0	111.5	R356 R360	R356-D358 WeakPolarHBondContact CD-OD1 3.44Å; R356-D358 IonicContact CZ-OD1 2.8Å; R356-D358 IonicContact CZ-OD2 3.79Å; R356-D358 IonicContact NE-OD1 2.72Å; R356-D358 PolarHBondContact NE-OD1 3.22Å; R356-D358 IonicContact NE-OD2 3.65Å; R356-D358 PolarHBondContact NE-OD2 3.16Å; R356-D358 IonicContact NH2-OD1 3.02Å; R356-D358 PolarHBondContact NH2-OD1 2.92Å; R356-D358 IonicContact NH2-OD2 3.68Å; R356-D358 PolarHBondContact NH2-OD2 2.95Å; R356-D358 PolarHBondContact O-N 2.89Å; R356-D358 VanDerWaalsContact O-N 3.14Å; D358-R360 PolarHBondContact O-N 3.11Å
359	W	98.4	Very high	97.8	Very high	18 Å²	18	55.7 Å²	55.7	7%	0.068	26%	0.264	C	S	.	.			trans	-61.1	131.7	172.2	-73.9	90	0	0	0	110.8	L80 S83 A84 N87 P324 F326 Y345 L346 S357	L80-W359 HydrophobicContact CD1-CZ2 4.05Å; S83-W359 PolarHBondContact O-NE1 3.13Å; S83-W359 PolarHBondContact OG-NE1 2.81Å; A84-W359 HydrophobicContact CB-CH2 3.9Å; A84-W359 HydrophobicContact CB-CZ2 3.49Å; A84-W359 VanDerWaalsContact CB-CZ2 3.49Å; N87-W359 HydrophobicContact CB-CB 3.79Å; N87-W359 HydrophobicContact CB-CG 3.86Å; N87-W359 WeakPolarHBondContact ND2-CB 3.39Å; N87-W359 WeakPolarHBondContact OD1-CB 3.36Å; P324-W359 HydrophobicContact CB-CH2 3.58Å; P324-W359 HydrophobicContact CB-CZ2 4.17Å; P324-W359 HydrophobicContact CB-CZ3 4.35Å; P324-W359 WeakPolarHBondContact O-CZ3 3.38Å; F326-W359 AromaticContact CD1-CE3 3.85Å; F326-W359 HydrophobicContact CD1-CE3 3.85Å; F326-W359 AromaticContact CD1-CH2 3.92Å; F326-W359 HydrophobicContact CD1-CH2 3.92Å; F326-W359 AromaticContact CD1-CZ3 3.47Å; F326-W359 HydrophobicContact CD1-CZ3 3.47Å; F326-W359 VanDerWaalsContact CD1-CZ3 3.47Å; F326-W359 AromaticContact CE1-CD2 3.72Å; F326-W359 HydrophobicContact CE1-CD2 3.72Å; F326-W359 AromaticContact CE1-CE3 3.24Å; F326-W359 HydrophobicContact CE1-CE3 3.24Å; F326-W359 HydrophobicContact CE1-CG 4.48Å; F326-W359 AromaticContact CE1-CH2 3.99Å; F326-W359 HydrophobicContact CE1-CH2 3.99Å; F326-W359 HydrophobicContact CE1-CZ2 4.4Å; F326-W359 AromaticContact CE1-CZ3 3.39Å; F326-W359 HydrophobicContact CE1-CZ3 3.39Å; F326-W359 HydrophobicContact CZ-CD2 4.44Å; F326-W359 AromaticContact CZ-CE3 4Å; F326-W359 HydrophobicContact CZ-CE3 4Å; F326-W359 HydrophobicContact CZ-CZ3 4.46Å; Y345-W359 WeakPolarHBondContact O-CA 3.44Å; L346-W359 HydrophobicContact CB-CD2 3.77Å; L346-W359 HydrophobicContact CB-CE3 3.9Å; L346-W359 HydrophobicContact CB-CG 4.39Å; L346-W359 HydrophobicContact CB-CH2 4Å; L346-W359 HydrophobicContact CB-CZ2 3.85Å; L346-W359 HydrophobicContact CB-CZ3 4.02Å; L346-W359 HydrophobicContact CD1-CG 4.3Å; L346-W359 HydrophobicContact CD2-CZ2 4.22Å; S357-W359 VanDerWaalsContact C-N 3.3Å; S357-W359 PolarHBondContact O-N 3.43Å
360	R	97	Very high	97.8	Very high	84 Å²	84	55.7 Å²	55.7	32%	0.317	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	158.5	-175.7	61.5	-173.5	174.2	-146.3	4.5	111.6	Y344 Y345 E350 D358 E362	Y344-R360 CarbonylContact C-O 3.47Å; Y344-R360 VanDerWaalsContact CA-O 3.3Å; Y344-R360 WeakPolarHBondContact CA-O 3.43Å; Y345-R360 HydrophobicContact CD1-CG 3.77Å; Y345-R360 HydrophobicContact CE1-CG 3.44Å; Y345-R360 VanDerWaalsContact CE1-CG 3.44Å; Y345-R360 VanDerWaalsContact CE1-NE 3.31Å; Y345-R360 PolarHBondContact N-O 2.69Å; Y345-R360 PolarHBondContact O-N 3.24Å; Y345-R360 VanDerWaalsContact OH-CZ 3.27Å; Y345-R360 PolarHBondContact OH-NE 3.07Å; Y345-R360 PolarHBondContact OH-NH2 2.61Å; E350-R360 IonicContact OE1-NH1 3.74Å; E350-R360 IonicContact OE2-CZ 3.12Å; E350-R360 IonicContact OE2-NH1 2.7Å; E350-R360 PolarHBondContact OE2-NH1 2.94Å; E350-R360 IonicContact OE2-NH2 2.83Å; E350-R360 PolarHBondContact OE2-NH2 2.79Å; D358-R360 PolarHBondContact O-N 3.11Å; R360-E362 PolarHBondContact O-N 2.99Å
361	L	98.2	Very high	97.7	Very high	17 Å²	17	55.1 Å²	55.1	9%	0.089	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	122.2	168.4	-168.9	69.7	0	0	0	108	W342 Y344 I364	W342-L361 HydrophobicContact CB-CD1 3.9Å; Y344-L361 HydrophobicContact CD1-CD1 4.37Å; Y344-L361 HydrophobicContact CD2-CD1 4.47Å; Y344-L361 HydrophobicContact CE1-CB 4.39Å; Y344-L361 HydrophobicContact CE1-CD1 4.02Å; Y344-L361 HydrophobicContact CE2-CD1 4.13Å; L361-I364 HydrophobicContact CD1-CG1 4.43Å; L361-I364 HydrophobicContact CD2-CD1 3.97Å; L361-I364 HydrophobicContact CD2-CG1 3.83Å
362	E	98.5	Very high	97.5	Very high	23 Å²	23	59.5 Å²	59.5	11%	0.107	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-57.1	170.8	-167	-172.8	174.5	0	0	108.7	Q343 Y345 R360 H400 V403 D404	Q343-E362 HydrophobicContact CB-CB 4.39Å; Q343-E362 HydrophobicContact CG-CB 4.14Å; Q343-E362 WeakPolarHBondContact CG-OE2 3.11Å; Q343-E362 WeakPolarHBondContact O-CB 3.39Å; Q343-E362 PolarHBondContact O-N 3.28Å; Y345-E362 HydrophobicContact CD1-CB 3.53Å; Y345-E362 HydrophobicContact CD1-CG 3.89Å; Y345-E362 HydrophobicContact CE1-CB 3.97Å; Y345-E362 HydrophobicContact CE1-CG 4.03Å; Y345-E362 HydrophobicContact CG-CB 4.25Å; Y345-E362 HydrophobicContact CG-CG 4.41Å; R360-E362 PolarHBondContact O-N 2.99Å; E362-H400 WeakPolarHBondContact OE1-CA 3.33Å; E362-H400 IonicContact OE1-CE1 2.68Å; E362-H400 IonicContact OE1-CG 3.37Å; E362-H400 IonicContact OE1-ND1 2.73Å; E362-H400 PolarHBondContact OE1-ND1 3.34Å; E362-V403 VanDerWaalsContact OE1-C 3.29Å; E362-V403 VanDerWaalsContact OE1-CA 3.32Å; E362-V403 WeakPolarHBondContact OE1-CA 3.38Å; E362-V403 WeakPolarHBondContact OE2-CG1 3.26Å; E362-D404 WeakPolarHBondContact CG-OD2 3.16Å; E362-D404 PolarHBondContact OE1-N 3.41Å
363	Y	98.6	Very high	97.5	Very high	16 Å²	16	59.2 Å²	59.2	6%	0.063	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	159.5	179	72.3	-86.5	0	0	0	112.4	D288 Q343 M365 A368 F369 H400	D288-Y363 PolarHBondContact OD1-OH 2.85Å; D288-Y363 WeakPolarHBondContact OD2-CE1 3.18Å; D288-Y363 PolarHBondContact OD2-OH 3.27Å; Q343-Y363 HydrophobicContact CB-CD1 3.76Å; Q343-Y363 HydrophobicContact CB-CE1 3.41Å; Q343-Y363 VanDerWaalsContact CB-CE1 3.41Å; Q343-Y363 HydrophobicContact CB-CG 4.45Å; Q343-Y363 HydrophobicContact CG-CD1 4.17Å; Q343-Y363 HydrophobicContact CG-CE1 3.66Å; Q343-Y363 PolarHBondContact N-O 2.79Å; Q343-Y363 PolarHBondContact O-N 2.76Å; Y363-M365 HydrophobicContact CD2-CB 4.24Å; Y363-M365 HydrophobicContact CE2-CB 3.74Å; Y363-M365 HydrophobicContact CE2-CG 4.05Å; Y363-A368 HydrophobicContact CD2-CB 3.93Å; Y363-A368 HydrophobicContact CG-CB 4.39Å; Y363-F369 HydrophobicContact CE2-CE2 4.37Å; Y363-H400 HydrophobicContact CD1-CB 4.23Å; Y363-H400 AromaticContact CD1-CD2 3.77Å; Y363-H400 AromaticContact CD1-CE1 3.64Å; Y363-H400 AromaticContact CD1-CG 3.58Å; Y363-H400 AromaticContact CD1-ND1 3.49Å; Y363-H400 WeakPolarHBondContact CD1-ND1 3.48Å; Y363-H400 AromaticContact CD1-NE2 3.83Å; Y363-H400 HydrophobicContact CE1-CB 3.78Å; Y363-H400 AromaticContact CE1-CG 3.65Å; Y363-H400 AromaticContact CE1-ND1 3.95Å; Y363-H400 AromaticContact CG-NE2 3.86Å
364	I	98.6	Very high	97.5	Very high	10 Å²	10	52 Å²	52	5%	0.051	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.5	162	-66.2	169	0	0	0	106.3	P21 D340 I341 W342 L361 T366 E367 A368	P21-I364 HydrophobicContact CG-CD1 4.24Å; D340-I364 WeakPolarHBondContact OD2-CG2 3.49Å; I341-I364 WeakPolarHBondContact O-CA 3.47Å; W342-I364 HydrophobicContact CG-CG1 4.14Å; L361-I364 HydrophobicContact CD1-CG1 4.43Å; L361-I364 HydrophobicContact CD2-CD1 3.97Å; L361-I364 HydrophobicContact CD2-CG1 3.83Å; I364-T366 PolarHBondContact O-N 2.81Å; I364-E367 HydrophobicContact CB-CB 4.16Å; I364-E367 HydrophobicContact CB-CG 4.08Å; I364-E367 HydrophobicContact CG2-CB 4.3Å; I364-E367 HydrophobicContact CG2-CG 3.89Å; I364-E367 PolarHBondContact O-N 3.16Å; I364-A368 VanDerWaalsContact O-CB 3.25Å; I364-A368 WeakPolarHBondContact O-CB 3.07Å; I364-A368 PolarHBondContact O-N 3.04Å
365	M	98.4	Very high	97.5	Very high	2 Å²	2	50.3 Å²	50.3	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-62.6	-43	-168.2	-169.1	172.9	175.5	0	0	112.7	I290 D340 I341 Y363 E367 A368 F369 L371 L374 L379 L382	I290-M365 HydrophobicContact CD1-CE 3.88Å; I290-M365 HydrophobicContact CG2-CE 3.78Å; I290-M365 HydrophobicContact CG2-SD 4.43Å; D340-M365 PolarHBondContact OD1-N 3.26Å; I341-M365 HydrophobicContact CB-CB 4Å; I341-M365 HydrophobicContact CB-SD 4.48Å; I341-M365 HydrophobicContact CD1-SD 3.86Å; I341-M365 PolarHBondContact O-N 2.95Å; Y363-M365 HydrophobicContact CD2-CB 4.24Å; Y363-M365 HydrophobicContact CE2-CB 3.74Å; Y363-M365 HydrophobicContact CE2-CG 4.05Å; M365-E367 PolarHBondContact O-N 2.93Å; M365-A368 PolarHBondContact O-N 3.24Å; M365-F369 HydrophobicContact CG-CD2 3.94Å; M365-F369 HydrophobicContact CG-CE2 4.4Å; M365-F369 WeakPolarHBondContact O-CD2 3.48Å; M365-F369 PolarHBondContact O-N 3.32Å; M365-F369 VanDerWaalsContact O-N 3.12Å; M365-L371 HydrophobicContact CE-CD1 4.27Å; M365-L374 HydrophobicContact CB-CD1 4.34Å; M365-L374 HydrophobicContact CB-CD2 4.13Å; M365-L374 HydrophobicContact CE-CD2 3.96Å; M365-L374 HydrophobicContact CG-CD1 4.43Å; M365-L374 HydrophobicContact CG-CD2 3.73Å; M365-L374 HydrophobicContact SD-CD1 3.63Å; M365-L374 HydrophobicContact SD-CD2 3.43Å; M365-L374 WeakPolarHBondContact SD-CD2 3.45Å; M365-L374 HydrophobicContact SD-CG 4.18Å; M365-L379 HydrophobicContact CE-CD2 3.77Å; M365-L382 HydrophobicContact CE-CD2 3.78Å
366	T	98	Very high	97.6	Very high	22 Å²	22	44.2 Å²	44.2	14%	0.135	24%	0.239	C	C	.	.	H	α-helix	trans	-61.7	-43.8	177.5	57.7	0	0	0	0	112.2	M339 D340 I364 G370 L371 L374	M339-T366 WeakPolarHBondContact O-CG2 3.38Å; D340-T366 HydrophobicContact CB-CG2 4.18Å; D340-T366 VanDerWaalsContact CG-CG2 3.47Å; D340-T366 VanDerWaalsContact CG-OG1 3.28Å; D340-T366 WeakPolarHBondContact OD1-CG2 3Å; D340-T366 PolarHBondContact OD1-N 2.88Å; D340-T366 VanDerWaalsContact OD1-N 3.08Å; D340-T366 PolarHBondContact OD1-OG1 2.91Å; D340-T366 PolarHBondContact OD2-OG1 2.72Å; I364-T366 PolarHBondContact O-N 2.81Å; T366-G370 CarbonylContact O-C 3.52Å; T366-G370 VanDerWaalsContact O-CA 3.22Å; T366-G370 WeakPolarHBondContact O-CA 3.34Å; T366-G370 PolarHBondContact O-N 2.63Å; T366-L371 VanDerWaalsContact CB-O 3.3Å; T366-L371 WeakPolarHBondContact CB-O 3.31Å; T366-L371 HydrophobicContact CG2-CB 4.45Å; T366-L371 PolarHBondContact O-N 2.99Å; T366-L374 HydrophobicContact CG2-CD2 4.46Å
367	E	97.8	Very high	97.7	Very high	147 Å²	147	44.2 Å²	44.2	69%	0.687	24%	0.243	S	C	*	.	H	α-helix	trans	-68.7	-43.9	177.8	-62.5	-176.7	-178.2	0	0	112.1	I364 M365 F369	I364-E367 HydrophobicContact CB-CB 4.16Å; I364-E367 HydrophobicContact CB-CG 4.08Å; I364-E367 HydrophobicContact CG2-CB 4.3Å; I364-E367 HydrophobicContact CG2-CG 3.89Å; I364-E367 PolarHBondContact O-N 3.16Å; M365-E367 PolarHBondContact O-N 2.93Å; E367-F369 VanDerWaalsContact C-N 3.3Å; E367-F369 PolarHBondContact O-N 3.17Å
368	A	97.6	Very high	97.8	Very high	19 Å²	19	42.9 Å²	42.9	16%	0.157	23%	0.234	C	C	.	.	H	α-helix	trans	-63	-37	-176.9	0	0	0	0	0	112.4	Y363 I364 M365 K396	Y363-A368 HydrophobicContact CD2-CB 3.93Å; Y363-A368 HydrophobicContact CG-CB 4.39Å; I364-A368 VanDerWaalsContact O-CB 3.25Å; I364-A368 WeakPolarHBondContact O-CB 3.07Å; I364-A368 PolarHBondContact O-N 3.04Å; M365-A368 PolarHBondContact O-N 3.24Å; A368-K396 HydrophobicContact CB-CD 4.27Å; A368-K396 PolarHBondContact O-NZ 2.96Å
369	F	98	Very high	97.9	Very high	31 Å²	31	40.5 Å²	40.5	14%	0.136	22%	0.221	C	C	.	.	H	α-helix	trans	-112.1	2.4	-175.4	-63.5	-73.3	0	0	0	114.2	Y363 M365 E367 L371 L382 K396	Y363-F369 HydrophobicContact CE2-CE2 4.37Å; M365-F369 HydrophobicContact CG-CD2 3.94Å; M365-F369 HydrophobicContact CG-CE2 4.4Å; M365-F369 WeakPolarHBondContact O-CD2 3.48Å; M365-F369 PolarHBondContact O-N 3.32Å; M365-F369 VanDerWaalsContact O-N 3.12Å; E367-F369 VanDerWaalsContact C-N 3.3Å; E367-F369 PolarHBondContact O-N 3.17Å; F369-L371 VanDerWaalsContact C-N 3.33Å; F369-L371 HydrophobicContact CB-CD1 4.18Å; F369-L371 HydrophobicContact CB-CD2 4.48Å; F369-L371 HydrophobicContact CB-CG 3.9Å; F369-L382 HydrophobicContact CB-CD1 3.98Å; F369-L382 HydrophobicContact CB-CD2 4.19Å; F369-L382 HydrophobicContact CD1-CD1 3.61Å; F369-L382 HydrophobicContact CD1-CD2 4.24Å; F369-L382 HydrophobicContact CD2-CD2 4.22Å; F369-L382 HydrophobicContact CE1-CD1 4.35Å; F369-L382 HydrophobicContact CG-CD1 3.94Å; F369-L382 HydrophobicContact CG-CD2 3.95Å; F369-K396 HydrophobicContact CE1-CB 4.25Å; F369-K396 HydrophobicContact CE1-CD 4.06Å; F369-K396 HydrophobicContact CE1-CG 4.2Å; F369-K396 HydrophobicContact CZ-CD 4.29Å; F369-K396 HydrophobicContact CZ-CG 4.27Å
370	G	97.1	Very high	97.9	Very high	69 Å²	69	40.9 Å²	40.9	71%	0.711	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.2	35.6	-179.2	0	0	0	0	0	113.3	T366	T366-G370 CarbonylContact O-C 3.52Å; T366-G370 VanDerWaalsContact O-CA 3.22Å; T366-G370 WeakPolarHBondContact O-CA 3.34Å; T366-G370 PolarHBondContact O-N 2.63Å
371	L	96.8	Very high	97.9	Very high	27 Å²	27	42.3 Å²	42.3	14%	0.141	23%	0.234	C	C	.	.			trans	-91.8	152.1	179.7	-53.2	177.5	0	0	0	111	M365 T366 F369 L374 L379 L382	M365-L371 HydrophobicContact CE-CD1 4.27Å; T366-L371 VanDerWaalsContact CB-O 3.3Å; T366-L371 WeakPolarHBondContact CB-O 3.31Å; T366-L371 HydrophobicContact CG2-CB 4.45Å; T366-L371 PolarHBondContact O-N 2.99Å; F369-L371 VanDerWaalsContact C-N 3.33Å; F369-L371 HydrophobicContact CB-CD1 4.18Å; F369-L371 HydrophobicContact CB-CD2 4.48Å; F369-L371 HydrophobicContact CB-CG 3.9Å; L371-L374 HydrophobicContact CD1-CD2 3.81Å; L371-L379 HydrophobicContact CD1-CD2 4.44Å; L371-L382 HydrophobicContact CD1-CD2 4.04Å; L371-L382 HydrophobicContact CD2-CB 4.29Å
372	S	95.2	Very high	98	Very high	95 Å²	95	41.9 Å²	41.9	66%	0.664	23%	0.232	S	C	*	.	S	Bend	trans	-84.5	-27.4	172.5	53.9	0	0	0	0	113.4
373	D	96.8	Very high	97.9	Very high	19 Å²	19	40.8 Å²	40.8	10%	0.102	23%	0.227	C	C	.	.			trans	-164.1	-178.6	-179.7	57.7	43.4	0	0	0	109.6	M339 Q375 S378	M339-D373 HydrophobicContact CE-CB 3.68Å; M339-D373 WeakPolarHBondContact O-CA 3.33Å; M339-D373 HydrophobicContact SD-CB 4.18Å; D373-Q375 HydrophobicContact CB-CG 4.33Å; D373-Q375 VanDerWaalsContact OD1-CB 3.3Å; D373-Q375 WeakPolarHBondContact OD1-CB 3.41Å; D373-Q375 PolarHBondContact OD1-N 3.41Å; D373-Q375 PolarHBondContact OD2-NE2 3.14Å; D373-S378 VanDerWaalsContact O-CB 3.22Å; D373-S378 WeakPolarHBondContact O-CB 3.34Å; D373-S378 WeakPolarHBondContact OD1-CB 3.35Å; D373-S378 PolarHBondContact OD1-OG 2.8Å
374	L	98.2	Very high	97.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.244	C	C	.	.			trans	-109.6	28.5	175.6	-52.3	-174.6	0	0	0	112.3	S303 F305 V338 D340 I341 M365 T366 L371 L379	S303-L374 WeakPolarHBondContact CB-O 3.41Å; S303-L374 PolarHBondContact OG-O 2.8Å; F305-L374 HydrophobicContact CE1-CB 4.23Å; F305-L374 HydrophobicContact CE1-CD1 4.03Å; F305-L374 HydrophobicContact CZ-CB 3.89Å; F305-L374 HydrophobicContact CZ-CD1 4.24Å; V338-L374 HydrophobicContact CB-CB 4.41Å; V338-L374 HydrophobicContact CG1-CB 4.11Å; V338-L374 HydrophobicContact CG1-CD1 4.03Å; V338-L374 CarbonylContact O-C 3.48Å; V338-L374 PolarHBondContact O-N 2.86Å; D340-L374 VanDerWaalsContact C-CD1 3.48Å; I341-L374 HydrophobicContact CB-CD1 4.09Å; I341-L374 HydrophobicContact CD1-CD1 3.68Å; I341-L374 HydrophobicContact CG1-CD1 3.52Å; M365-L374 HydrophobicContact CB-CD1 4.34Å; M365-L374 HydrophobicContact CB-CD2 4.13Å; M365-L374 HydrophobicContact CE-CD2 3.96Å; M365-L374 HydrophobicContact CG-CD1 4.43Å; M365-L374 HydrophobicContact CG-CD2 3.73Å; M365-L374 HydrophobicContact SD-CD1 3.63Å; M365-L374 HydrophobicContact SD-CD2 3.43Å; M365-L374 WeakPolarHBondContact SD-CD2 3.45Å; M365-L374 HydrophobicContact SD-CG 4.18Å; T366-L374 HydrophobicContact CG2-CD2 4.46Å; L371-L374 HydrophobicContact CD1-CD2 3.81Å; L374-L379 HydrophobicContact CB-CD2 4.31Å; L374-L379 HydrophobicContact CD2-CD2 4.15Å
375	Q	98.4	Very high	97.7	Very high	76 Å²	76	44.9 Å²	44.9	36%	0.355	25%	0.252	S	S	.	.	S	Bend	trans	-68.1	159	173.5	-66.9	-171.1	74.3	0	0	110.9	D373 K377 S378 L379	D373-Q375 HydrophobicContact CB-CG 4.33Å; D373-Q375 VanDerWaalsContact OD1-CB 3.3Å; D373-Q375 WeakPolarHBondContact OD1-CB 3.41Å; D373-Q375 PolarHBondContact OD1-N 3.41Å; D373-Q375 PolarHBondContact OD2-NE2 3.14Å; Q375-K377 PolarHBondContact O-N 2.87Å; Q375-S378 WeakPolarHBondContact O-CB 3.31Å; Q375-S378 PolarHBondContact O-N 2.85Å; Q375-L379 PolarHBondContact O-N 3.19Å; Q375-L379 VanDerWaalsContact O-N 3.09Å
376	P	98.6	Very high	97.7	Very high	24 Å²	24	44.8 Å²	44.8	16%	0.156	25%	0.252	C	S	.	.	H	α-helix	trans	-54.8	-36.1	-172.1	-28.2	35	0	0	0	113.6	V292 P300 S303 L379 L380	V292-P376 HydrophobicContact CG2-CB 4.3Å; V292-P376 WeakPolarHBondContact CG2-O 3.36Å; P300-P376 HydrophobicContact CB-CB 3.7Å; P300-P376 WeakPolarHBondContact CB-O 3.17Å; P300-P376 HydrophobicContact CG-CB 4.45Å; S303-P376 WeakPolarHBondContact OG-CA 3.33Å; S303-P376 WeakPolarHBondContact OG-CD 3.19Å; P376-L379 PolarHBondContact O-N 3.38Å; P376-L380 WeakPolarHBondContact O-CB 3.46Å; P376-L380 PolarHBondContact O-N 3.23Å
377	K	98.6	Very high	97.4	Very high	141 Å²	141	46.2 Å²	46.2	61%	0.613	26%	0.257	S	S	*	.	H	α-helix	trans	-63.4	-43.8	177.4	-174.1	179	177.7	-177.2	0	112.7	P300 Q375 L380 Q381	P300-K377 HydrophobicContact CG-CB 4.23Å; Q375-K377 PolarHBondContact O-N 2.87Å; K377-L380 PolarHBondContact O-N 2.72Å; K377-Q381 WeakPolarHBondContact O-CG 3.39Å; K377-Q381 PolarHBondContact O-N 2.94Å
378	S	98.6	Very high	97.1	Very high	9 Å²	9	44.2 Å²	44.2	6%	0.063	25%	0.251	C	S	.	.	H	α-helix	trans	-66.6	-41.6	178.5	-56	0	0	0	0	110.7	D373 Q375 Q381 L382	D373-S378 VanDerWaalsContact O-CB 3.22Å; D373-S378 WeakPolarHBondContact O-CB 3.34Å; D373-S378 WeakPolarHBondContact OD1-CB 3.35Å; D373-S378 PolarHBondContact OD1-OG 2.8Å; Q375-S378 WeakPolarHBondContact O-CB 3.31Å; Q375-S378 PolarHBondContact O-N 2.85Å; S378-Q381 PolarHBondContact O-N 3.45Å; S378-L382 PolarHBondContact O-N 2.84Å
379	L	98.4	Very high	96.6	Very high	1 Å²	1	48.4 Å²	48.4	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-67.2	-37.6	176	-62.2	-165.5	0	0	0	113	I290 V292 S303 F305 M365 L371 L374 Q375 P376 L382 G383	I290-L379 HydrophobicContact CD1-CD2 4.2Å; V292-L379 HydrophobicContact CB-CB 4.3Å; S303-L379 WeakPolarHBondContact OG-CD1 3.47Å; F305-L379 HydrophobicContact CE1-CD1 3.85Å; F305-L379 HydrophobicContact CZ-CD1 3.97Å; M365-L379 HydrophobicContact CE-CD2 3.77Å; L371-L379 HydrophobicContact CD1-CD2 4.44Å; L374-L379 HydrophobicContact CB-CD2 4.31Å; L374-L379 HydrophobicContact CD2-CD2 4.15Å; Q375-L379 PolarHBondContact O-N 3.19Å; Q375-L379 VanDerWaalsContact O-N 3.09Å; P376-L379 PolarHBondContact O-N 3.38Å; L379-L382 PolarHBondContact O-N 3.28Å; L379-G383 PolarHBondContact O-N 2.87Å
380	L	98.6	Very high	96	Very high	27 Å²	27	55.6 Å²	55.6	14%	0.141	31%	0.311	C	S	.	.	H	α-helix	trans	-61.9	-44.3	172.8	178.1	59	0	0	0	111.3	V292 L294 P300 P376 K377 L382 G383 L384 L424	V292-L380 HydrophobicContact CG1-CB 4.41Å; V292-L380 HydrophobicContact CG1-CD1 4.26Å; V292-L380 HydrophobicContact CG2-CB 4.22Å; L294-L380 HydrophobicContact CD2-CD1 4.15Å; L294-L380 HydrophobicContact CD2-CD2 4.12Å; P300-L380 HydrophobicContact CB-CB 3.99Å; P300-L380 HydrophobicContact CB-CD2 3.95Å; P300-L380 HydrophobicContact CG-CB 4.17Å; P300-L380 HydrophobicContact CG-CD2 3.7Å; P376-L380 WeakPolarHBondContact O-CB 3.46Å; P376-L380 PolarHBondContact O-N 3.23Å; K377-L380 PolarHBondContact O-N 2.72Å; L380-L382 VanDerWaalsContact C-N 3.31Å; L380-L382 PolarHBondContact O-N 2.76Å; L380-G383 PolarHBondContact O-N 3.37Å; L380-L384 HydrophobicContact CD1-CD1 3.97Å; L380-L384 HydrophobicContact CD1-CD2 4.47Å; L380-L384 HydrophobicContact CD1-CG 3.93Å; L380-L384 HydrophobicContact CG-CD1 3.92Å; L380-L384 HydrophobicContact CG-CG 4.33Å; L380-L384 WeakPolarHBondContact O-CB 3.23Å; L380-L384 VanDerWaalsContact O-CG 3.25Å; L380-L384 WeakPolarHBondContact O-CG 3.46Å; L380-L384 PolarHBondContact O-N 2.86Å; L380-L424 HydrophobicContact CD1-CD2 3.7Å
381	Q	98.1	Very high	95.7	Very high	114 Å²	114	52.8 Å²	52.8	53%	0.533	28%	0.28	S	S	.	.	H	α-helix	trans	-60.4	-42.7	176.3	-73.4	175.7	-15.8	0	0	111.7	K377 S378 S385	K377-Q381 WeakPolarHBondContact O-CG 3.39Å; K377-Q381 PolarHBondContact O-N 2.94Å; S378-Q381 PolarHBondContact O-N 3.45Å; Q381-S385 PolarHBondContact O-N 3.41Å
382	L	98.3	Very high	95.6	Very high	7 Å²	7	60 Å²	60	4%	0.037	31%	0.31	C	S	.	.	H	α-helix	trans	-61.7	-51.1	174.7	179.8	57.3	0	0	0	111.4	I290 M365 F369 L371 S378 L379 L380 L384 S385 F386	I290-L382 HydrophobicContact CD1-CD2 3.68Å; I290-L382 HydrophobicContact CD1-CG 4.33Å; M365-L382 HydrophobicContact CE-CD2 3.78Å; F369-L382 HydrophobicContact CB-CD1 3.98Å; F369-L382 HydrophobicContact CB-CD2 4.19Å; F369-L382 HydrophobicContact CD1-CD1 3.61Å; F369-L382 HydrophobicContact CD1-CD2 4.24Å; F369-L382 HydrophobicContact CD2-CD2 4.22Å; F369-L382 HydrophobicContact CE1-CD1 4.35Å; F369-L382 HydrophobicContact CG-CD1 3.94Å; F369-L382 HydrophobicContact CG-CD2 3.95Å; L371-L382 HydrophobicContact CD1-CD2 4.04Å; L371-L382 HydrophobicContact CD2-CB 4.29Å; S378-L382 PolarHBondContact O-N 2.84Å; L379-L382 PolarHBondContact O-N 3.28Å; L380-L382 VanDerWaalsContact C-N 3.31Å; L380-L382 PolarHBondContact O-N 2.76Å; L382-L384 VanDerWaalsContact C-N 3.34Å; L382-L384 PolarHBondContact O-N 3.15Å; L382-S385 WeakPolarHBondContact O-CB 3.26Å; L382-S385 PolarHBondContact O-N 3.46Å; L382-S385 PolarHBondContact O-OG 2.84Å; L382-F386 HydrophobicContact CD1-CD1 4.34Å; L382-F386 HydrophobicContact CD1-CE1 3.41Å; L382-F386 VanDerWaalsContact CD1-CE1 3.41Å; L382-F386 HydrophobicContact CD1-CZ 3.62Å; L382-F386 HydrophobicContact CD2-CZ 4.01Å; L382-F386 HydrophobicContact CG-CE1 3.82Å; L382-F386 HydrophobicContact CG-CE2 4.21Å; L382-F386 HydrophobicContact CG-CZ 3.49Å; L382-F386 VanDerWaalsContact CG-CZ 3.49Å; L382-F386 WeakPolarHBondContact O-CD1 3.31Å; L382-F386 PolarHBondContact O-N 3.14Å
383	G	97.6	Very high	95.7	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-58.9	-41.8	179.2	0	0	0	0	0	113	L379 L380 S385 F386	L379-G383 PolarHBondContact O-N 2.87Å; L380-G383 PolarHBondContact O-N 3.37Å; G383-S385 VanDerWaalsContact C-N 3.32Å; G383-S385 PolarHBondContact O-N 2.99Å; G383-F386 WeakPolarHBondContact O-CB 3.39Å; G383-F386 PolarHBondContact O-N 3.45Å
384	L	96.8	Very high	95.7	Very high	80 Å²	80	55.9 Å²	55.9	42%	0.419	29%	0.285	S	S	.	.	H	α-helix	trans	-65.6	-34.5	174.7	-69.4	172.7	0	0	0	112.2	L380 L382 F386 M387 L424	L380-L384 HydrophobicContact CD1-CD1 3.97Å; L380-L384 HydrophobicContact CD1-CD2 4.47Å; L380-L384 HydrophobicContact CD1-CG 3.93Å; L380-L384 HydrophobicContact CG-CD1 3.92Å; L380-L384 HydrophobicContact CG-CG 4.33Å; L380-L384 WeakPolarHBondContact O-CB 3.23Å; L380-L384 VanDerWaalsContact O-CG 3.25Å; L380-L384 WeakPolarHBondContact O-CG 3.46Å; L380-L384 PolarHBondContact O-N 2.86Å; L382-L384 VanDerWaalsContact C-N 3.34Å; L382-L384 PolarHBondContact O-N 3.15Å; L384-F386 PolarHBondContact O-N 2.96Å; L384-M387 HydrophobicContact CD2-SD 4.15Å; L384-M387 WeakPolarHBondContact O-CB 3.31Å; L384-M387 PolarHBondContact O-N 3.46Å; L384-M387 VanDerWaalsContact O-N 3.15Å; L384-L424 HydrophobicContact CD2-CD1 4.23Å
385	S	96.8	Very high	95.7	Very high	33 Å²	33	59.9 Å²	59.9	23%	0.231	31%	0.306	C	S	.	.	H	α-helix	trans	-64.3	-23.1	175.8	84.6	0	0	0	0	113	Q381 L382 G383 M387 L388 S391	Q381-S385 PolarHBondContact O-N 3.41Å; L382-S385 WeakPolarHBondContact O-CB 3.26Å; L382-S385 PolarHBondContact O-N 3.46Å; L382-S385 PolarHBondContact O-OG 2.84Å; G383-S385 VanDerWaalsContact C-N 3.32Å; G383-S385 PolarHBondContact O-N 2.99Å; S385-M387 VanDerWaalsContact C-N 3.31Å; S385-L388 PolarHBondContact O-N 2.99Å; S385-S391 WeakPolarHBondContact O-CB 3.49Å; S385-S391 PolarHBondContact O-OG 3.13Å
386	F	97.1	Very high	95.6	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-70.9	-28.5	176.2	-58.5	-24.4	0	0	0	112.5	L382 G383 L384 L388 A393 F394 Y397 K416 V420	L382-F386 HydrophobicContact CD1-CD1 4.34Å; L382-F386 HydrophobicContact CD1-CE1 3.41Å; L382-F386 VanDerWaalsContact CD1-CE1 3.41Å; L382-F386 HydrophobicContact CD1-CZ 3.62Å; L382-F386 HydrophobicContact CD2-CZ 4.01Å; L382-F386 HydrophobicContact CG-CE1 3.82Å; L382-F386 HydrophobicContact CG-CE2 4.21Å; L382-F386 HydrophobicContact CG-CZ 3.49Å; L382-F386 VanDerWaalsContact CG-CZ 3.49Å; L382-F386 WeakPolarHBondContact O-CD1 3.31Å; L382-F386 PolarHBondContact O-N 3.14Å; G383-F386 WeakPolarHBondContact O-CB 3.39Å; G383-F386 PolarHBondContact O-N 3.45Å; L384-F386 PolarHBondContact O-N 2.96Å; F386-L388 PolarHBondContact O-N 2.87Å; F386-A393 HydrophobicContact CD1-CB 4.12Å; F386-A393 HydrophobicContact CE1-CB 4.03Å; F386-F394 HydrophobicContact CB-CB 4.03Å; F386-F394 HydrophobicContact CB-CD2 3.8Å; F386-F394 HydrophobicContact CB-CG 4.3Å; F386-F394 HydrophobicContact CD1-CB 3.94Å; F386-F394 HydrophobicContact CD1-CD2 4.34Å; F386-F394 HydrophobicContact CD2-CD2 4.23Å; F386-F394 HydrophobicContact CG-CB 4.19Å; F386-F394 AromaticContact CG-CD2 3.9Å; F386-F394 HydrophobicContact CG-CD2 3.9Å; F386-Y397 HydrophobicContact CE1-CG 4.3Å; F386-Y397 HydrophobicContact CE2-CD1 4.01Å; F386-Y397 AromaticContact CE2-CD2 3.94Å; F386-Y397 HydrophobicContact CE2-CD2 3.94Å; F386-Y397 HydrophobicContact CE2-CE1 4.38Å; F386-Y397 HydrophobicContact CE2-CE2 4.32Å; F386-Y397 AromaticContact CE2-CG 3.77Å; F386-Y397 HydrophobicContact CE2-CG 3.77Å; F386-Y397 HydrophobicContact CZ-CD1 4.21Å; F386-Y397 AromaticContact CZ-CD2 3.72Å; F386-Y397 HydrophobicContact CZ-CD2 3.72Å; F386-Y397 HydrophobicContact CZ-CE2 4.5Å; F386-Y397 AromaticContact CZ-CG 3.54Å; F386-Y397 HydrophobicContact CZ-CG 3.54Å; F386-K416 WeakPolarHBondContact O-CE 3.3Å; F386-K416 PolarHBondContact O-NZ 3Å; F386-V420 HydrophobicContact CB-CB 4.48Å; F386-V420 HydrophobicContact CB-CG1 4.1Å; F386-V420 HydrophobicContact CB-CG2 3.52Å; F386-V420 HydrophobicContact CD2-CG2 4.45Å; F386-V420 HydrophobicContact CG-CG2 4.46Å
387	M	93.2	Very high	95.6	Very high	52 Å²	52	59.9 Å²	59.9	26%	0.256	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-20.9	179	-62.5	-174	72.6	0	0	113.1	L384 S385 V420 L424 W440	L384-M387 HydrophobicContact CD2-SD 4.15Å; L384-M387 WeakPolarHBondContact O-CB 3.31Å; L384-M387 PolarHBondContact O-N 3.46Å; L384-M387 VanDerWaalsContact O-N 3.15Å; S385-M387 VanDerWaalsContact C-N 3.31Å; M387-V420 HydrophobicContact CG-CG1 3.64Å; M387-L424 HydrophobicContact CG-CD1 4.38Å; M387-L424 HydrophobicContact SD-CD1 3.98Å; M387-W440 HydrophobicContact CB-CZ3 4.38Å; M387-W440 HydrophobicContact CE-CH2 3.95Å; M387-W440 HydrophobicContact CE-CZ2 4.09Å; M387-W440 HydrophobicContact CE-CZ3 4.4Å; M387-W440 HydrophobicContact CG-CH2 3.96Å; M387-W440 HydrophobicContact CG-CZ3 4.07Å
388	L	91.1	Very high	95.6	Very high	105 Å²	105	53.5 Å²	53.5	55%	0.55	27%	0.274	S	S	.	.	S	Bend	trans	-61.1	139.9	-179.1	-61.5	175.8	0	0	0	111.8	S385 F386 Q390 S391 K416	S385-L388 PolarHBondContact O-N 2.99Å; F386-L388 PolarHBondContact O-N 2.87Å; L388-Q390 PolarHBondContact O-N 2.83Å; L388-S391 WeakPolarHBondContact O-CB 3.16Å; L388-S391 PolarHBondContact O-N 3.34Å; L388-K416 PolarHBondContact O-NZ 3.45Å
389	P	86.3	Confident	95.6	Very high	107 Å²	107	54.2 Å²	54.2	70%	0.695	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	134.2	171.2	-24.6	34	0	0	0	110.9	S391	P389-S391 VanDerWaalsContact C-N 3.28Å; P389-S391 PolarHBondContact O-N 3.06Å
390	Q	84.8	Confident	95.6	Very high	182 Å²	182	55 Å²	55	85%	0.85	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	40.9	-179.8	-57	175.7	3.1	0	0	113.8	L388 K392	L388-Q390 PolarHBondContact O-N 2.83Å; Q390-K392 PolarHBondContact O-N 3.07Å; Q390-K392 VanDerWaalsContact O-N 3.11Å
391	S	91.6	Very high	95.6	Very high	9 Å²	9	53.7 Å²	53.7	6%	0.063	28%	0.276	C	S	.	.			trans	-66.8	106.3	179.6	-178.7	0	0	0	0	112.1	S385 L388 P389 A393 F394 D395	S385-S391 WeakPolarHBondContact O-CB 3.49Å; S385-S391 PolarHBondContact O-OG 3.13Å; L388-S391 WeakPolarHBondContact O-CB 3.16Å; L388-S391 PolarHBondContact O-N 3.34Å; P389-S391 VanDerWaalsContact C-N 3.28Å; P389-S391 PolarHBondContact O-N 3.06Å; S391-A393 PolarHBondContact O-N 3.08Å; S391-A393 PolarHBondContact OG-N 3.14Å; S391-F394 WeakPolarHBondContact O-CA 3.41Å; S391-F394 WeakPolarHBondContact O-CB 3.41Å; S391-F394 PolarHBondContact O-N 3.33Å; S391-F394 PolarHBondContact OG-N 3.39Å; S391-D395 PolarHBondContact O-N 2.91Å
392	K	94.5	Very high	95.6	Very high	179 Å²	179	48.3 Å²	48.3	78%	0.778	25%	0.251	S	S	*	.	H	α-helix	trans	-57.3	-29.2	170.4	-65.9	-175.6	178.7	-178.6	0	113.1	Q390 K396	Q390-K392 PolarHBondContact O-N 3.07Å; Q390-K392 VanDerWaalsContact O-N 3.11Å; K392-K396 WeakPolarHBondContact O-CB 3.44Å; K392-K396 PolarHBondContact O-N 2.74Å; K392-K396 VanDerWaalsContact O-N 3.1Å
393	A	96.8	Very high	95.6	Very high	28 Å²	28	48 Å²	48	23%	0.231	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-41.1	175.2	0	0	0	0	0	110.4	F386 S391 Y397	F386-A393 HydrophobicContact CD1-CB 4.12Å; F386-A393 HydrophobicContact CE1-CB 4.03Å; S391-A393 PolarHBondContact O-N 3.08Å; S391-A393 PolarHBondContact OG-N 3.14Å; A393-Y397 WeakPolarHBondContact O-CB 3.39Å; A393-Y397 PolarHBondContact O-N 2.92Å
394	F	97.9	Very high	95.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-67.2	-44.5	175.1	-177.7	-103.9	0	0	0	112.3	F386 S391 K396 Y397 F398 C411 K416 Q419 V420	F386-F394 HydrophobicContact CB-CB 4.03Å; F386-F394 HydrophobicContact CB-CD2 3.8Å; F386-F394 HydrophobicContact CB-CG 4.3Å; F386-F394 HydrophobicContact CD1-CB 3.94Å; F386-F394 HydrophobicContact CD1-CD2 4.34Å; F386-F394 HydrophobicContact CD2-CD2 4.23Å; F386-F394 HydrophobicContact CG-CB 4.19Å; F386-F394 AromaticContact CG-CD2 3.9Å; F386-F394 HydrophobicContact CG-CD2 3.9Å; S391-F394 WeakPolarHBondContact O-CA 3.41Å; S391-F394 WeakPolarHBondContact O-CB 3.41Å; S391-F394 PolarHBondContact O-N 3.33Å; S391-F394 PolarHBondContact OG-N 3.39Å; F394-K396 VanDerWaalsContact C-N 3.26Å; F394-K396 PolarHBondContact O-N 2.57Å; F394-Y397 HydrophobicContact CD2-CD1 4.24Å; F394-Y397 HydrophobicContact CE2-CD1 4.18Å; F394-Y397 CarbonylContact O-C 3.53Å; F394-Y397 WeakPolarHBondContact O-CB 3.4Å; F394-Y397 PolarHBondContact O-N 2.89Å; F394-Y397 VanDerWaalsContact O-N 3.13Å; F394-F398 HydrophobicContact CE1-CB 4.46Å; F394-F398 HydrophobicContact CZ-CB 4.49Å; F394-F398 WeakPolarHBondContact O-CB 3.29Å; F394-F398 PolarHBondContact O-N 2.58Å; F394-C411 HydrophobicContact CE1-CB 3.95Å; F394-C411 WeakPolarHBondContact CE1-O 3.21Å; F394-C411 HydrophobicContact CZ-CB 4.23Å; F394-K416 HydrophobicContact CD1-CD 3.81Å; F394-K416 HydrophobicContact CD1-CG 3.9Å; F394-K416 HydrophobicContact CD2-CG 4.5Å; F394-K416 HydrophobicContact CE1-CB 3.77Å; F394-K416 HydrophobicContact CE1-CD 3.89Å; F394-K416 HydrophobicContact CE1-CG 3.55Å; F394-K416 HydrophobicContact CE2-CG 4.19Å; F394-K416 HydrophobicContact CG-CD 4.37Å; F394-K416 HydrophobicContact CG-CG 4.36Å; F394-K416 HydrophobicContact CZ-CB 3.92Å; F394-K416 HydrophobicContact CZ-CG 3.71Å; F394-Q419 HydrophobicContact CE2-CB 3.72Å; F394-Q419 HydrophobicContact CE2-CG 4.38Å; F394-Q419 HydrophobicContact CZ-CB 3.84Å; F394-Q419 HydrophobicContact CZ-CG 4.13Å; F394-V420 HydrophobicContact CD2-CG2 3.83Å; F394-V420 HydrophobicContact CE2-CG2 3.73Å
395	D	96.9	Very high	95.6	Very high	84 Å²	84	49.3 Å²	49.3	45%	0.449	25%	0.253	S	S	.	.	H	α-helix	trans	-59.2	-41.6	178.3	-60.5	-25.9	0	0	0	111.2	S391 F398 S399	S391-D395 PolarHBondContact O-N 2.91Å; D395-F398 PolarHBondContact O-N 3.18Å; D395-S399 PolarHBondContact O-N 3.2Å
396	K	97.4	Very high	95.5	Very high	93 Å²	93	50.6 Å²	50.6	40%	0.404	26%	0.257	S	S	.	.	H	α-helix	trans	-63.9	-47.6	173.6	-174.2	-176.2	-59.8	-172.2	0	111.9	A368 F369 K392 F394 F398 S399 H400	A368-K396 HydrophobicContact CB-CD 4.27Å; A368-K396 PolarHBondContact O-NZ 2.96Å; F369-K396 HydrophobicContact CE1-CB 4.25Å; F369-K396 HydrophobicContact CE1-CD 4.06Å; F369-K396 HydrophobicContact CE1-CG 4.2Å; F369-K396 HydrophobicContact CZ-CD 4.29Å; F369-K396 HydrophobicContact CZ-CG 4.27Å; K392-K396 WeakPolarHBondContact O-CB 3.44Å; K392-K396 PolarHBondContact O-N 2.74Å; K392-K396 VanDerWaalsContact O-N 3.1Å; F394-K396 VanDerWaalsContact C-N 3.26Å; F394-K396 PolarHBondContact O-N 2.57Å; K396-F398 VanDerWaalsContact C-N 3.27Å; K396-F398 PolarHBondContact O-N 3.34Å; K396-S399 WeakPolarHBondContact O-CB 3.49Å; K396-S399 PolarHBondContact O-N 3.04Å; K396-H400 PolarHBondContact O-CD2 2.79Å; K396-H400 PolarHBondContact O-N 3.37Å; K396-H400 VanDerWaalsContact O-N 3.11Å
397	Y	98.4	Very high	95.3	Very high	7 Å²	7	55.7 Å²	55.7	3%	0.027	29%	0.293	C	S	.	.	H	α-helix	trans	-56.4	-42.6	176.1	171.4	-97.2	0	0	0	111.7	S289 I290 F386 A393 F394 H400 F401 V423	S289-Y397 WeakPolarHBondContact CA-OH 3.2Å; I290-Y397 HydrophobicContact CG1-CE2 3.96Å; I290-Y397 PolarHBondContact N-OH 2.99Å; F386-Y397 HydrophobicContact CE1-CG 4.3Å; F386-Y397 HydrophobicContact CE2-CD1 4.01Å; F386-Y397 AromaticContact CE2-CD2 3.94Å; F386-Y397 HydrophobicContact CE2-CD2 3.94Å; F386-Y397 HydrophobicContact CE2-CE1 4.38Å; F386-Y397 HydrophobicContact CE2-CE2 4.32Å; F386-Y397 AromaticContact CE2-CG 3.77Å; F386-Y397 HydrophobicContact CE2-CG 3.77Å; F386-Y397 HydrophobicContact CZ-CD1 4.21Å; F386-Y397 AromaticContact CZ-CD2 3.72Å; F386-Y397 HydrophobicContact CZ-CD2 3.72Å; F386-Y397 HydrophobicContact CZ-CE2 4.5Å; F386-Y397 AromaticContact CZ-CG 3.54Å; F386-Y397 HydrophobicContact CZ-CG 3.54Å; A393-Y397 WeakPolarHBondContact O-CB 3.39Å; A393-Y397 PolarHBondContact O-N 2.92Å; F394-Y397 HydrophobicContact CD2-CD1 4.24Å; F394-Y397 HydrophobicContact CE2-CD1 4.18Å; F394-Y397 CarbonylContact O-C 3.53Å; F394-Y397 WeakPolarHBondContact O-CB 3.4Å; F394-Y397 PolarHBondContact O-N 2.89Å; F394-Y397 VanDerWaalsContact O-N 3.13Å; Y397-H400 PolarHBondContact O-N 3.15Å; Y397-F401 WeakPolarHBondContact O-CB 3.36Å; Y397-F401 PolarHBondContact O-N 2.77Å; Y397-V423 HydrophobicContact CE1-CG2 4.35Å
398	F	98.1	Very high	95.3	Very high	6 Å²	6	57.9 Å²	57.9	3%	0.026	31%	0.313	C	S	.	.	H	α-helix	trans	-71.5	-29.9	179.9	-169.3	-105.1	0	0	0	113.1	Y320 F394 D395 K396 F401 M402 I409 C411 Q419	Y320-F398 HydrophobicContact CE1-CZ 4.31Å; F394-F398 HydrophobicContact CE1-CB 4.46Å; F394-F398 HydrophobicContact CZ-CB 4.49Å; F394-F398 WeakPolarHBondContact O-CB 3.29Å; F394-F398 PolarHBondContact O-N 2.58Å; D395-F398 PolarHBondContact O-N 3.18Å; K396-F398 VanDerWaalsContact C-N 3.27Å; K396-F398 PolarHBondContact O-N 3.34Å; F398-F401 HydrophobicContact CD2-CB 4.36Å; F398-F401 HydrophobicContact CD2-CD1 4.13Å; F398-F401 HydrophobicContact CD2-CG 4.41Å; F398-F401 AromaticContact CE2-CD1 3.85Å; F398-F401 HydrophobicContact CE2-CD1 3.85Å; F398-F401 HydrophobicContact CE2-CE1 4.27Å; F398-F401 WeakPolarHBondContact O-CB 3.44Å; F398-F401 PolarHBondContact O-N 3.16Å; F398-M402 HydrophobicContact CD1-CE 3.82Å; F398-M402 HydrophobicContact CE1-CE 3.54Å; F398-M402 HydrophobicContact CE1-SD 4.15Å; F398-M402 HydrophobicContact CZ-CE 4.21Å; F398-M402 HydrophobicContact CZ-SD 4.28Å; F398-M402 WeakPolarHBondContact O-CE 3.48Å; F398-I409 HydrophobicContact CE1-CG2 4.11Å; F398-C411 HydrophobicContact CB-CB 4.44Å; F398-C411 HydrophobicContact CD1-CB 3.48Å; F398-C411 VanDerWaalsContact CD1-CB 3.48Å; F398-C411 HydrophobicContact CD2-CB 3.62Å; F398-C411 HydrophobicContact CE1-CB 3.49Å; F398-C411 VanDerWaalsContact CE1-CB 3.49Å; F398-C411 HydrophobicContact CE2-CB 3.63Å; F398-C411 HydrophobicContact CG-CB 3.55Å; F398-C411 HydrophobicContact CZ-CB 3.57Å; F398-Q419 HydrophobicContact CD2-CG 4.39Å
399	S	98	Very high	95.5	Very high	24 Å²	24	54.8 Å²	54.8	17%	0.168	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-49.5	168.6	-163	0	0	0	0	110.9	D395 K396 F401 M402 V403 D404	D395-S399 PolarHBondContact O-N 3.2Å; K396-S399 WeakPolarHBondContact O-CB 3.49Å; K396-S399 PolarHBondContact O-N 3.04Å; S399-F401 VanDerWaalsContact C-N 3.33Å; S399-F401 PolarHBondContact O-N 3.35Å; S399-M402 CarbonylContact O-C 3.6Å; S399-M402 PolarHBondContact O-N 2.83Å; S399-V403 PolarHBondContact O-N 3.13Å; S399-D404 PolarHBondContact O-N 3.5Å; S399-D404 PolarHBondContact OG-OD1 3.4Å
400	H	98.4	Very high	95.8	Very high	17 Å²	17	54.7 Å²	54.7	8%	0.079	29%	0.294	C	S	.	.	H	α-helix	trans	-68	-29.8	178.7	-64.5	-38.5	0	0	0	113.2	D288 E362 Y363 K396 Y397 M402 V403 D404	D288-H400 WeakPolarHBondContact CB-O 3.45Å; E362-H400 WeakPolarHBondContact OE1-CA 3.33Å; E362-H400 IonicContact OE1-CE1 2.68Å; E362-H400 IonicContact OE1-CG 3.37Å; E362-H400 IonicContact OE1-ND1 2.73Å; E362-H400 PolarHBondContact OE1-ND1 3.34Å; Y363-H400 HydrophobicContact CD1-CB 4.23Å; Y363-H400 AromaticContact CD1-CD2 3.77Å; Y363-H400 AromaticContact CD1-CE1 3.64Å; Y363-H400 AromaticContact CD1-CG 3.58Å; Y363-H400 AromaticContact CD1-ND1 3.49Å; Y363-H400 WeakPolarHBondContact CD1-ND1 3.48Å; Y363-H400 AromaticContact CD1-NE2 3.83Å; Y363-H400 HydrophobicContact CE1-CB 3.78Å; Y363-H400 AromaticContact CE1-CG 3.65Å; Y363-H400 AromaticContact CE1-ND1 3.95Å; Y363-H400 AromaticContact CG-NE2 3.86Å; K396-H400 PolarHBondContact O-CD2 2.79Å; K396-H400 PolarHBondContact O-N 3.37Å; K396-H400 VanDerWaalsContact O-N 3.11Å; Y397-H400 PolarHBondContact O-N 3.15Å; H400-M402 PolarHBondContact O-N 3.22Å; H400-M402 VanDerWaalsContact O-N 3.1Å; H400-V403 WeakPolarHBondContact O-CA 3.03Å; H400-V403 PolarHBondContact O-N 2.86Å; H400-D404 IonicContact CE1-OD1 3.29Å; H400-D404 IonicContact ND1-OD1 3.21Å
401	F	98.6	Very high	96.3	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-52.6	-33.5	172.1	177.2	-97.8	0	0	0	112.3	P250 F251 R287 D288 S289 Y320 Y397 F398 S399 Q419	P250-F401 HydrophobicContact CB-CE2 4.23Å; P250-F401 HydrophobicContact CG-CE2 3.57Å; P250-F401 HydrophobicContact CG-CZ 3.89Å; F251-F401 HydrophobicContact CD1-CZ 4.25Å; R287-F401 WeakPolarHBondContact CA-O 3.03Å; R287-F401 HydrophobicContact CB-CD1 4.44Å; R287-F401 HydrophobicContact CB-CD2 3.8Å; R287-F401 HydrophobicContact CB-CE1 4.14Å; R287-F401 HydrophobicContact CB-CE2 3.41Å; R287-F401 VanDerWaalsContact CB-CE2 3.41Å; R287-F401 HydrophobicContact CB-CG 4.28Å; R287-F401 HydrophobicContact CB-CZ 3.59Å; R287-F401 WeakPolarHBondContact CB-O 3.49Å; R287-F401 WeakPolarHBondContact CD-O 3.45Å; R287-F401 HydrophobicContact CG-CD1 4.33Å; R287-F401 HydrophobicContact CG-CD2 4.45Å; R287-F401 HydrophobicContact CG-CE1 3.72Å; R287-F401 HydrophobicContact CG-CE2 3.83Å; R287-F401 HydrophobicContact CG-CZ 3.41Å; R287-F401 VanDerWaalsContact CG-CZ 3.41Å; D288-F401 PolarHBondContact N-O 3.42Å; D288-F401 WeakPolarHBondContact O-CA 3.08Å; D288-F401 VanDerWaalsContact O-CD2 3.26Å; D288-F401 WeakPolarHBondContact O-CD2 3.43Å; S289-F401 VanDerWaalsContact OG-CD2 3.23Å; S289-F401 WeakPolarHBondContact OG-CD2 3.48Å; S289-F401 WeakPolarHBondContact OG-CE2 3.43Å; Y320-F401 HydrophobicContact CE2-CD1 4.34Å; Y320-F401 AromaticContact CE2-CE1 3.82Å; Y320-F401 HydrophobicContact CE2-CE1 3.82Å; Y397-F401 WeakPolarHBondContact O-CB 3.36Å; Y397-F401 PolarHBondContact O-N 2.77Å; F398-F401 HydrophobicContact CD2-CB 4.36Å; F398-F401 HydrophobicContact CD2-CD1 4.13Å; F398-F401 HydrophobicContact CD2-CG 4.41Å; F398-F401 AromaticContact CE2-CD1 3.85Å; F398-F401 HydrophobicContact CE2-CD1 3.85Å; F398-F401 HydrophobicContact CE2-CE1 4.27Å; F398-F401 WeakPolarHBondContact O-CB 3.44Å; F398-F401 PolarHBondContact O-N 3.16Å; S399-F401 VanDerWaalsContact C-N 3.33Å; S399-F401 PolarHBondContact O-N 3.35Å; F401-Q419 VanDerWaalsContact CE1-NE2 3.33Å
402	M	98.2	Very high	96.3	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	11.4	175.7	-54.6	177.2	-75.6	0	0	113	Y320 N322 N323 F398 S399 H400 D404 Y405 I409	Y320-M402 HydrophobicContact CD1-SD 4.03Å; Y320-M402 HydrophobicContact CD2-CG 3.62Å; Y320-M402 HydrophobicContact CD2-SD 3.58Å; Y320-M402 VanDerWaalsContact CD2-SD 3.58Å; Y320-M402 HydrophobicContact CE2-CG 4Å; Y320-M402 HydrophobicContact CE2-SD 4.2Å; Y320-M402 HydrophobicContact CG-CG 4.18Å; Y320-M402 HydrophobicContact CG-SD 3.48Å; N322-M402 VanDerWaalsContact CA-O 3.31Å; N322-M402 WeakPolarHBondContact CA-O 3.21Å; N323-M402 PolarHBondContact N-O 2.74Å; F398-M402 HydrophobicContact CD1-CE 3.82Å; F398-M402 HydrophobicContact CE1-CE 3.54Å; F398-M402 HydrophobicContact CE1-SD 4.15Å; F398-M402 HydrophobicContact CZ-CE 4.21Å; F398-M402 HydrophobicContact CZ-SD 4.28Å; F398-M402 WeakPolarHBondContact O-CE 3.48Å; S399-M402 CarbonylContact O-C 3.6Å; S399-M402 PolarHBondContact O-N 2.83Å; H400-M402 PolarHBondContact O-N 3.22Å; H400-M402 VanDerWaalsContact O-N 3.1Å; M402-D404 VanDerWaalsContact C-N 3.31Å; M402-D404 PolarHBondContact O-N 3.3Å; M402-Y405 WeakPolarHBondContact O-CB 3.43Å; M402-Y405 PolarHBondContact O-N 3.31Å; M402-I409 HydrophobicContact CE-CB 4.17Å; M402-I409 HydrophobicContact CE-CG2 4.4Å; M402-I409 HydrophobicContact SD-CB 4.43Å; M402-I409 HydrophobicContact SD-CD1 4.4Å; M402-I409 HydrophobicContact SD-CG2 4.33Å
403	V	98.6	Very high	96.2	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	46.5	-179.3	-163.2	0	0	0	0	111.4	P308 N322 N323 Y345 E362 S399 H400 Y405	P308-V403 HydrophobicContact CB-CG2 3.33Å; P308-V403 HydrophobicContact CG-CG2 3.66Å; N322-V403 HydrophobicContact CB-CB 4.39Å; N322-V403 HydrophobicContact CB-CG2 3.87Å; N323-V403 HydrophobicContact CB-CB 4.1Å; N323-V403 HydrophobicContact CB-CG1 4.03Å; N323-V403 VanDerWaalsContact CB-O 3.32Å; N323-V403 WeakPolarHBondContact CB-O 3.41Å; N323-V403 PolarHBondContact ND2-O 2.9Å; Y345-V403 HydrophobicContact CD2-CG1 4.3Å; Y345-V403 HydrophobicContact CG-CG1 4.1Å; E362-V403 VanDerWaalsContact OE1-C 3.29Å; E362-V403 VanDerWaalsContact OE1-CA 3.32Å; E362-V403 WeakPolarHBondContact OE1-CA 3.38Å; E362-V403 WeakPolarHBondContact OE2-CG1 3.26Å; S399-V403 PolarHBondContact O-N 3.13Å; H400-V403 WeakPolarHBondContact O-CA 3.03Å; H400-V403 PolarHBondContact O-N 2.86Å; V403-Y405 PolarHBondContact O-N 2.03Å
404	D	97.3	Very high	96.1	Very high	52 Å²	52	47.9 Å²	47.9	28%	0.278	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.2	32.4	-176	-74.6	-22.8	0	0	0	113.9	N323 Y345 E362 S399 H400 M402	N323-D404 PolarHBondContact ND2-O 2.99Å; Y345-D404 HydrophobicContact CE2-CB 4.25Å; E362-D404 WeakPolarHBondContact CG-OD2 3.16Å; E362-D404 PolarHBondContact OE1-N 3.41Å; S399-D404 PolarHBondContact O-N 3.5Å; S399-D404 PolarHBondContact OG-OD1 3.4Å; H400-D404 IonicContact CE1-OD1 3.29Å; H400-D404 IonicContact ND1-OD1 3.21Å; M402-D404 VanDerWaalsContact C-N 3.31Å; M402-D404 PolarHBondContact O-N 3.3Å
405	Y	97.7	Very high	96	Very high	56 Å²	56	49.6 Å²	49.6	22%	0.22	30%	0.298	C	S	.	.	S	Bend	trans	-56.2	-50.6	177.4	168.6	-106.4	0	0	0	112.5	F72 N323 M402 V403 I409	F72-Y405 AromaticContact CD1-CD2 3.96Å; F72-Y405 HydrophobicContact CD1-CD2 3.96Å; F72-Y405 AromaticContact CD1-CE2 3.59Å; F72-Y405 HydrophobicContact CD1-CE2 3.59Å; F72-Y405 AromaticContact CD2-CE2 3.82Å; F72-Y405 HydrophobicContact CD2-CE2 3.82Å; F72-Y405 AromaticContact CE1-CD2 3.42Å; F72-Y405 HydrophobicContact CE1-CD2 3.42Å; F72-Y405 VanDerWaalsContact CE1-CD2 3.42Å; F72-Y405 AromaticContact CE1-CE2 3.44Å; F72-Y405 HydrophobicContact CE1-CE2 3.44Å; F72-Y405 VanDerWaalsContact CE1-CE2 3.44Å; F72-Y405 HydrophobicContact CE2-CD2 4.23Å; F72-Y405 AromaticContact CE2-CE2 3.66Å; F72-Y405 HydrophobicContact CE2-CE2 3.66Å; F72-Y405 AromaticContact CG-CE2 3.78Å; F72-Y405 HydrophobicContact CG-CE2 3.78Å; F72-Y405 AromaticContact CZ-CD2 3.56Å; F72-Y405 HydrophobicContact CZ-CD2 3.56Å; F72-Y405 AromaticContact CZ-CE2 3.46Å; F72-Y405 HydrophobicContact CZ-CE2 3.46Å; F72-Y405 VanDerWaalsContact CZ-CE2 3.46Å; N323-Y405 WeakPolarHBondContact ND2-CA 3.47Å; N323-Y405 PolarHBondContact ND2-N 3.39Å; M402-Y405 WeakPolarHBondContact O-CB 3.43Å; M402-Y405 PolarHBondContact O-N 3.31Å; V403-Y405 PolarHBondContact O-N 2.03Å; Y405-I409 HydrophobicContact CD1-CD1 4.4Å; Y405-I409 HydrophobicContact CE1-CD1 4.29Å
406	N	95.4	Very high	95.9	Very high	60 Å²	60	46.7 Å²	46.7	32%	0.321	28%	0.282	S	S	.	.			trans	-156.5	110.7	-178.3	-172.4	-21.3	0	0	0	111.5	S408 I409	N406-S408 PolarHBondContact O-N 2.58Å; N406-S408 VanDerWaalsContact OD1-CB 3.29Å; N406-S408 WeakPolarHBondContact OD1-CB 3.5Å; N406-S408 PolarHBondContact OD1-N 2.71Å; N406-S408 PolarHBondContact OD1-OG 3.03Å; N406-I409 HydrophobicContact CB-CD1 3.9Å; N406-I409 HydrophobicContact CB-CG1 4.06Å; N406-I409 PolarHBondContact O-N 2.91Å
407	S	91.1	Very high	95.9	Very high	107 Å²	107	43.1 Å²	43.1	75%	0.748	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-8.5	-179.1	58.2	0	0	0	0	114.9	I409	S407-I409 VanDerWaalsContact C-N 3.34Å
408	S	94	Very high	95.8	Very high	97 Å²	97	44.9 Å²	44.9	68%	0.678	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-11.5	177.2	-55.2	0	0	0	0	113	N406	N406-S408 PolarHBondContact O-N 2.58Å; N406-S408 VanDerWaalsContact OD1-CB 3.29Å; N406-S408 WeakPolarHBondContact OD1-CB 3.5Å; N406-S408 PolarHBondContact OD1-N 2.71Å; N406-S408 PolarHBondContact OD1-OG 3.03Å
409	I	94.6	Very high	95.7	Very high	41 Å²	41	44.6 Å²	44.6	21%	0.21	28%	0.275	C	S	.	.			trans	-85.2	123.9	-179.3	-57.5	-177.9	0	0	0	108.8	Y320 F398 M402 Y405 N406 S407	Y320-I409 HydrophobicContact CD1-CG2 4.28Å; F398-I409 HydrophobicContact CE1-CG2 4.11Å; M402-I409 HydrophobicContact CE-CB 4.17Å; M402-I409 HydrophobicContact CE-CG2 4.4Å; M402-I409 HydrophobicContact SD-CB 4.43Å; M402-I409 HydrophobicContact SD-CD1 4.4Å; M402-I409 HydrophobicContact SD-CG2 4.33Å; Y405-I409 HydrophobicContact CD1-CD1 4.4Å; Y405-I409 HydrophobicContact CE1-CD1 4.29Å; N406-I409 HydrophobicContact CB-CD1 3.9Å; N406-I409 HydrophobicContact CB-CG1 4.06Å; N406-I409 PolarHBondContact O-N 2.91Å; S407-I409 VanDerWaalsContact C-N 3.34Å
410	V	93.6	Very high	95.7	Very high	104 Å²	104	43.5 Å²	43.5	63%	0.63	27%	0.267	S	S	*	.			trans	-111.1	141.8	-177.3	-177.5	0	0	0	0	109.7
411	C	94.8	Very high	95.7	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.034	26%	0.263	C	S	.	.			trans	-112.7	101.4	175.3	-177.1	0	0	0	0	109.7	F394 F398 C415 K416	F394-C411 HydrophobicContact CE1-CB 3.95Å; F394-C411 WeakPolarHBondContact CE1-O 3.21Å; F394-C411 HydrophobicContact CZ-CB 4.23Å; F398-C411 HydrophobicContact CB-CB 4.44Å; F398-C411 HydrophobicContact CD1-CB 3.48Å; F398-C411 VanDerWaalsContact CD1-CB 3.48Å; F398-C411 HydrophobicContact CD2-CB 3.62Å; F398-C411 HydrophobicContact CE1-CB 3.49Å; F398-C411 VanDerWaalsContact CE1-CB 3.49Å; F398-C411 HydrophobicContact CE2-CB 3.63Å; F398-C411 HydrophobicContact CG-CB 3.55Å; F398-C411 HydrophobicContact CZ-CB 3.57Å; C411-C415 VanDerWaalsContact CA-SG 3.6Å; C411-C415 HydrophobicContact CB-CB 4.06Å; C411-C415 WeakPolarHBondContact CB-SG 3.31Å; C411-C415 WeakPolarHBondContact SG-CB 3.18Å; C411-C415 CovalentContact SG-SG 2.04Å; C411-C415 PolarHBondContact SG-SG 3.33Å; C411-K416 PolarHBondContact SG-N 2.6Å
412	D	92.6	Very high	95.7	Very high	117 Å²	117	42.9 Å²	42.9	63%	0.626	27%	0.265	S	S	*	.			trans	-122.8	176.9	177.8	65.4	7	0	0	0	111.4	S414 C415 K416	D412-S414 PolarHBondContact O-N 3.31Å; D412-C415 WeakPolarHBondContact O-CB 3.34Å; D412-C415 PolarHBondContact O-N 3Å; D412-K416 PolarHBondContact O-N 3.28Å
413	G	92.8	Very high	95.7	Very high	54 Å²	54	42.9 Å²	42.9	56%	0.557	27%	0.265	S	S	*	.	H	α-helix	trans	48.1	-123.4	178	0	0	0	0	0	112.8	C415 K416 V417	G413-C415 VanDerWaalsContact C-N 3.29Å; G413-C415 PolarHBondContact O-N 3.28Å; G413-K416 PolarHBondContact O-N 3.23Å; G413-V417 WeakPolarHBondContact O-CG2 3.3Å; G413-V417 PolarHBondContact O-N 3.46Å; G413-V417 VanDerWaalsContact O-N 3.14Å
414	S	93.5	Very high	95.7	Very high	80 Å²	80	43 Å²	43	56%	0.559	27%	0.265	S	S	*	.	H	α-helix	trans	-63	-30.7	-178.1	58.4	0	0	0	0	114	D412 V417 H418	D412-S414 PolarHBondContact O-N 3.31Å; S414-V417 PolarHBondContact O-N 3.06Å; S414-H418 PolarHBondContact O-N 3.35Å; S414-H418 PolarHBondContact O-ND1 3.4Å
415	C	95.3	Very high	95.7	Very high	36 Å²	36	43.4 Å²	43.4	24%	0.243	26%	0.264	C	S	.	.	H	α-helix	trans	-60.3	-49.4	176	177.4	0	0	0	0	110.1	C411 D412 G413 V417 H418 Q419	C411-C415 VanDerWaalsContact CA-SG 3.6Å; C411-C415 HydrophobicContact CB-CB 4.06Å; C411-C415 WeakPolarHBondContact CB-SG 3.31Å; C411-C415 WeakPolarHBondContact SG-CB 3.18Å; C411-C415 CovalentContact SG-SG 2.04Å; C411-C415 PolarHBondContact SG-SG 3.33Å; D412-C415 WeakPolarHBondContact O-CB 3.34Å; D412-C415 PolarHBondContact O-N 3Å; G413-C415 VanDerWaalsContact C-N 3.29Å; G413-C415 PolarHBondContact O-N 3.28Å; C415-V417 PolarHBondContact O-N 3.21Å; C415-H418 PolarHBondContact O-N 3.22Å; C415-Q419 VanDerWaalsContact O-CG 3.31Å; C415-Q419 WeakPolarHBondContact O-CG 3.45Å; C415-Q419 PolarHBondContact O-N 3.47Å
416	K	95.9	Very high	95.7	Very high	23 Å²	23	40.9 Å²	40.9	10%	0.1	25%	0.254	C	S	.	.	H	α-helix	trans	-63.7	-41.4	179.2	-179.4	172.7	-179	-170.7	0	111.9	F386 L388 F394 C411 D412 G413 H418 Q419 V420	F386-K416 WeakPolarHBondContact O-CE 3.3Å; F386-K416 PolarHBondContact O-NZ 3Å; L388-K416 PolarHBondContact O-NZ 3.45Å; F394-K416 HydrophobicContact CD1-CD 3.81Å; F394-K416 HydrophobicContact CD1-CG 3.9Å; F394-K416 HydrophobicContact CD2-CG 4.5Å; F394-K416 HydrophobicContact CE1-CB 3.77Å; F394-K416 HydrophobicContact CE1-CD 3.89Å; F394-K416 HydrophobicContact CE1-CG 3.55Å; F394-K416 HydrophobicContact CE2-CG 4.19Å; F394-K416 HydrophobicContact CG-CD 4.37Å; F394-K416 HydrophobicContact CG-CG 4.36Å; F394-K416 HydrophobicContact CZ-CB 3.92Å; F394-K416 HydrophobicContact CZ-CG 3.71Å; C411-K416 PolarHBondContact SG-N 2.6Å; D412-K416 PolarHBondContact O-N 3.28Å; G413-K416 PolarHBondContact O-N 3.23Å; K416-H418 PolarHBondContact O-N 2.9Å; K416-Q419 PolarHBondContact O-N 2.89Å; K416-V420 HydrophobicContact CG-CG2 4.09Å; K416-V420 WeakPolarHBondContact O-CB 3.44Å; K416-V420 VanDerWaalsContact O-CG2 3.3Å; K416-V420 WeakPolarHBondContact O-CG2 3.21Å; K416-V420 PolarHBondContact O-N 3.39Å
417	V	96.1	Very high	95.8	Very high	18 Å²	18	38.9 Å²	38.9	11%	0.109	24%	0.243	C	C	.	.	H	α-helix	trans	-57.3	-50.4	175.6	176.1	0	0	0	0	110.8	G413 S414 C415 Q419 C421 A435 W440	G413-V417 WeakPolarHBondContact O-CG2 3.3Å; G413-V417 PolarHBondContact O-N 3.46Å; G413-V417 VanDerWaalsContact O-N 3.14Å; S414-V417 PolarHBondContact O-N 3.06Å; C415-V417 PolarHBondContact O-N 3.21Å; V417-Q419 PolarHBondContact O-N 2.95Å; V417-C421 VanDerWaalsContact O-CB 3.23Å; V417-C421 WeakPolarHBondContact O-CB 3.2Å; V417-C421 PolarHBondContact O-N 3.15Å; V417-C421 PolarHBondContact O-SG 3.06Å; V417-A435 HydrophobicContact CG1-CB 4.34Å; V417-W440 HydrophobicContact CB-CD2 4.45Å; V417-W440 HydrophobicContact CG1-CZ2 4.33Å; V417-W440 HydrophobicContact CG2-CB 4.09Å; V417-W440 HydrophobicContact CG2-CD2 3.63Å; V417-W440 HydrophobicContact CG2-CE3 4.1Å; V417-W440 HydrophobicContact CG2-CG 3.59Å
418	H	96.4	Very high	96	Very high	44 Å²	44	37.2 Å²	37.2	20%	0.204	22%	0.224	C	C	.	.	H	α-helix	trans	-62.7	-43.6	-178.8	-61.6	155.7	0	0	0	112.2	P250 G253 S414 C415 K416 A422	P250-H418 CarbonylContact O-C 3.59Å; P250-H418 WeakPolarHBondContact O-CB 3.41Å; G253-H418 WeakPolarHBondContact CA-NE2 3.48Å; S414-H418 PolarHBondContact O-N 3.35Å; S414-H418 PolarHBondContact O-ND1 3.4Å; C415-H418 PolarHBondContact O-N 3.22Å; K416-H418 PolarHBondContact O-N 2.9Å; H418-A422 WeakPolarHBondContact O-CB 3.25Å; H418-A422 PolarHBondContact O-N 3.01Å
419	Q	97.8	Very high	96.1	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-59.4	-57	176.9	-74.9	-77.2	-10.7	0	0	111.5	P250 F394 F398 F401 C415 K416 V417 C421 A422 V423	P250-Q419 PolarHBondContact O-N 2.96Å; F394-Q419 HydrophobicContact CE2-CB 3.72Å; F394-Q419 HydrophobicContact CE2-CG 4.38Å; F394-Q419 HydrophobicContact CZ-CB 3.84Å; F394-Q419 HydrophobicContact CZ-CG 4.13Å; F398-Q419 HydrophobicContact CD2-CG 4.39Å; F401-Q419 VanDerWaalsContact CE1-NE2 3.33Å; C415-Q419 VanDerWaalsContact O-CG 3.31Å; C415-Q419 WeakPolarHBondContact O-CG 3.45Å; C415-Q419 PolarHBondContact O-N 3.47Å; K416-Q419 PolarHBondContact O-N 2.89Å; V417-Q419 PolarHBondContact O-N 2.95Å; Q419-C421 PolarHBondContact O-N 3.1Å; Q419-A422 PolarHBondContact O-N 2.99Å; Q419-V423 WeakPolarHBondContact O-CG2 3.36Å; Q419-V423 PolarHBondContact O-N 3.18Å
420	V	97.5	Very high	96.1	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68.9	-37.3	-173.4	-178.8	0	0	0	0	111.6	F386 M387 F394 K416 V423 L424 W440	F386-V420 HydrophobicContact CB-CB 4.48Å; F386-V420 HydrophobicContact CB-CG1 4.1Å; F386-V420 HydrophobicContact CB-CG2 3.52Å; F386-V420 HydrophobicContact CD2-CG2 4.45Å; F386-V420 HydrophobicContact CG-CG2 4.46Å; M387-V420 HydrophobicContact CG-CG1 3.64Å; F394-V420 HydrophobicContact CD2-CG2 3.83Å; F394-V420 HydrophobicContact CE2-CG2 3.73Å; K416-V420 HydrophobicContact CG-CG2 4.09Å; K416-V420 WeakPolarHBondContact O-CB 3.44Å; K416-V420 VanDerWaalsContact O-CG2 3.3Å; K416-V420 WeakPolarHBondContact O-CG2 3.21Å; K416-V420 PolarHBondContact O-N 3.39Å; V420-V423 PolarHBondContact O-N 2.91Å; V420-L424 HydrophobicContact CG1-CD1 3.89Å; V420-L424 WeakPolarHBondContact O-CG 3.34Å; V420-L424 PolarHBondContact O-N 3.28Å; V420-L424 VanDerWaalsContact O-N 3.12Å; V420-W440 HydrophobicContact CB-CH2 3.65Å; V420-W440 HydrophobicContact CB-CZ3 3.99Å; V420-W440 HydrophobicContact CG1-CH2 3.65Å; V420-W440 HydrophobicContact CG1-CZ3 4.1Å; V420-W440 HydrophobicContact CG2-CZ3 4.36Å
421	C	97.9	Very high	96.3	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66	-38	174.5	-67.4	0	0	0	0	112.6	V417 Q419 V423 L424 Y425 Y431 C434 A435 W440	V417-C421 VanDerWaalsContact O-CB 3.23Å; V417-C421 WeakPolarHBondContact O-CB 3.2Å; V417-C421 PolarHBondContact O-N 3.15Å; V417-C421 PolarHBondContact O-SG 3.06Å; Q419-C421 PolarHBondContact O-N 3.1Å; C421-V423 VanDerWaalsContact C-N 3.34Å; C421-L424 PolarHBondContact O-N 2.93Å; C421-Y425 WeakPolarHBondContact O-CB 3.14Å; C421-Y425 PolarHBondContact O-N 3.2Å; C421-Y431 HydrophobicContact CB-CD2 3.85Å; C421-Y431 HydrophobicContact CB-CE2 3.7Å; C421-C434 WeakPolarHBondContact CA-SG 3.21Å; C421-C434 HydrophobicContact CB-CB 3.85Å; C421-C434 WeakPolarHBondContact CB-SG 3.37Å; C421-C434 WeakPolarHBondContact SG-CB 3.31Å; C421-C434 CovalentContact SG-SG 2.05Å; C421-C434 PolarHBondContact SG-SG 3.19Å; C421-A435 PolarHBondContact SG-N 3.44Å; C421-A435 VanDerWaalsContact SG-N 3.37Å; C421-W440 VanDerWaalsContact SG-CZ2 3.52Å
422	A	98.3	Very high	96.3	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.033	21%	0.209	C	C	.	.	H	α-helix	trans	-66.4	-35.3	175.6	0	0	0	0	0	112.4	Y248 P250 H418 Q419 Y431	Y248-A422 WeakPolarHBondContact O-CB 3.37Å; P250-A422 HydrophobicContact CB-CB 3.9Å; H418-A422 WeakPolarHBondContact O-CB 3.25Å; H418-A422 PolarHBondContact O-N 3.01Å; Q419-A422 PolarHBondContact O-N 2.99Å; A422-Y431 HydrophobicContact CB-CE2 4.35Å
423	V	98.4	Very high	96.4	Very high	3 Å²	3	39 Å²	39	2%	0.018	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-44.4	174.1	169.7	0	0	0	0	111.5	I290 M291 V292 Y397 Q419 V420 C421	I290-V423 HydrophobicContact CG1-CG1 4.13Å; I290-V423 HydrophobicContact CG1-CG2 4.5Å; I290-V423 WeakPolarHBondContact O-CG2 3.45Å; M291-V423 WeakPolarHBondContact CA-O 2.94Å; V292-V423 PolarHBondContact N-O 3.31Å; Y397-V423 HydrophobicContact CE1-CG2 4.35Å; Q419-V423 WeakPolarHBondContact O-CG2 3.36Å; Q419-V423 PolarHBondContact O-N 3.18Å; V420-V423 PolarHBondContact O-N 2.91Å; C421-V423 VanDerWaalsContact C-N 3.34Å
424	L	97.9	Very high	96.5	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.191	C	C	.	.	H	α-helix	trans	-90.3	-24.7	-169.5	-69.5	175	0	0	0	114.5	V292 L380 L384 M387 V420 C421	V292-L424 HydrophobicContact CG1-CD2 4.02Å; L380-L424 HydrophobicContact CD1-CD2 3.7Å; L384-L424 HydrophobicContact CD2-CD1 4.23Å; M387-L424 HydrophobicContact CG-CD1 4.38Å; M387-L424 HydrophobicContact SD-CD1 3.98Å; V420-L424 HydrophobicContact CG1-CD1 3.89Å; V420-L424 WeakPolarHBondContact O-CG 3.34Å; V420-L424 PolarHBondContact O-N 3.28Å; V420-L424 VanDerWaalsContact O-N 3.12Å; C421-L424 PolarHBondContact O-N 2.93Å
425	Y	97.8	Very high	96.5	Very high	61 Å²	61	35 Å²	35	24%	0.239	18%	0.179	C	C	.	.			trans	-140.1	110.3	-163.9	-58.9	-61.8	0	0	0	112.6	L294 C421 S430 C434	L294-Y425 HydrophobicContact CD1-CE1 4.19Å; C421-Y425 WeakPolarHBondContact O-CB 3.14Å; C421-Y425 PolarHBondContact O-N 3.2Å; Y425-S430 WeakPolarHBondContact CB-OG 3.35Å; Y425-S430 VanDerWaalsContact CD1-CB 3.42Å; Y425-C434 HydrophobicContact CD2-CB 3.33Å; Y425-C434 WeakPolarHBondContact CD2-SG 3.43Å; Y425-C434 HydrophobicContact CE2-CB 3.45Å; Y425-C434 VanDerWaalsContact CE2-CB 3.45Å; Y425-C434 WeakPolarHBondContact CE2-SG 3.04Å; Y425-C434 HydrophobicContact CG-CB 4.34Å
426	L	98.1	Very high	96.3	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.016	20%	0.2	C	C	.	.			trans	-99.6	-13.8	-173.3	-70.8	68.2	0	0	0	113.3	V246 N263 V267 M291 V292 L293 L304	V246-L426 HydrophobicContact CG2-CD2 3.95Å; N263-L426 PolarHBondContact ND2-O 2.99Å; V267-L426 HydrophobicContact CG2-CB 4.02Å; M291-L426 HydrophobicContact CB-CD1 4.02Å; M291-L426 HydrophobicContact CB-CD2 4.36Å; M291-L426 HydrophobicContact CB-CG 4.41Å; M291-L426 HydrophobicContact SD-CD2 4.49Å; M291-L426 HydrophobicContact SD-CG 4.41Å; V292-L426 VanDerWaalsContact O-CD1 3.29Å; V292-L426 WeakPolarHBondContact O-CD1 3.41Å; L293-L426 HydrophobicContact CB-CD2 4.4Å; L293-L426 HydrophobicContact CD1-CD2 4.38Å; L304-L426 HydrophobicContact CD1-CD2 3.99Å; L304-L426 HydrophobicContact CD2-CD2 3.64Å
427	D	97.5	Very high	95.7	Very high	18 Å²	18	38.6 Å²	38.6	10%	0.096	21%	0.208	C	C	.	.	S	Bend	trans	-105.1	160.1	175.9	71.7	87.2	0	0	0	111.8	V267 R271 Q429 S430 Y431	V267-D427 HydrophobicContact CG1-CB 4.42Å; R271-D427 IonicContact CZ-OD2 3.35Å; R271-D427 IonicContact NH2-OD2 3.92Å; R271-D427 PolarHBondContact NH2-OD2 3.31Å; D427-Q429 PolarHBondContact O-N 3.48Å; D427-Q429 WeakPolarHBondContact OD1-CB 3.22Å; D427-Q429 PolarHBondContact OD1-N 3.21Å; D427-S430 PolarHBondContact O-OG 3.45Å; D427-S430 PolarHBondContact OD1-N 3.15Å; D427-S430 PolarHBondContact OD1-OG 2.88Å; D427-S430 PolarHBondContact OD2-OG 3.42Å; D427-Y431 VanDerWaalsContact O-CB 3.28Å; D427-Y431 WeakPolarHBondContact O-CB 3.27Å; D427-Y431 PolarHBondContact O-N 3.2Å
428	Q	96.3	Very high	94.1	Very high	72 Å²	72	42.4 Å²	42.4	34%	0.336	24%	0.242	S	C	.	.	H	α-helix	trans	-61.6	-43.9	-174.7	-169.4	-150.4	-8.5	0	0	113.8	Y248 E264 S432	Y248-Q428 WeakPolarHBondContact OH-CA 3.46Å; Y248-Q428 WeakPolarHBondContact OH-CB 3.3Å; Y248-Q428 WeakPolarHBondContact OH-CG 3.42Å; E264-Q428 WeakPolarHBondContact OE1-CB 3.3Å; E264-Q428 PolarHBondContact OE1-N 2.73Å; Q428-S432 VanDerWaalsContact O-CB 3.24Å; Q428-S432 WeakPolarHBondContact O-CB 3.43Å; Q428-S432 PolarHBondContact O-N 2.84Å; Q428-S432 PolarHBondContact O-OG 2.53Å
429	Q	94.9	Very high	92.6	Very high	167 Å²	167	46.7 Å²	46.7	78%	0.78	27%	0.266	S	S	*	.	H	α-helix	trans	-64.5	-47.5	-172.8	-176.4	-178.8	11.6	0	0	110	D427 K433	D427-Q429 PolarHBondContact O-N 3.48Å; D427-Q429 WeakPolarHBondContact OD1-CB 3.22Å; D427-Q429 PolarHBondContact OD1-N 3.21Å; Q429-K433 WeakPolarHBondContact O-CB 3.46Å; Q429-K433 PolarHBondContact O-N 2.85Å
430	S	95.4	Very high	91.4	Very high	25 Å²	25	51.1 Å²	51.1	18%	0.175	28%	0.283	C	S	.	.	H	α-helix	trans	-72.3	-42	-177.8	65.9	0	0	0	0	112.3	Y425 D427 S432 K433 C434	Y425-S430 WeakPolarHBondContact CB-OG 3.35Å; Y425-S430 VanDerWaalsContact CD1-CB 3.42Å; D427-S430 PolarHBondContact O-OG 3.45Å; D427-S430 PolarHBondContact OD1-N 3.15Å; D427-S430 PolarHBondContact OD1-OG 2.88Å; D427-S430 PolarHBondContact OD2-OG 3.42Å; S430-S432 PolarHBondContact O-N 3.18Å; S430-K433 PolarHBondContact O-N 2.94Å; S430-C434 PolarHBondContact O-N 3.17Å
431	Y	96.9	Very high	91.1	Very high	1 Å²	1	53.7 Å²	53.7	0%	0.004	30%	0.297	C	S	.	.	H	α-helix	trans	-62.2	-46.8	176.8	-179.4	-84.7	0	0	0	111.7	Y248 N254 C421 A422 D427 K433 C434 A435	Y248-Y431 AromaticContact CD1-CD1 3.65Å; Y248-Y431 HydrophobicContact CD1-CD1 3.65Å; Y248-Y431 AromaticContact CD1-CD2 3.88Å; Y248-Y431 HydrophobicContact CD1-CD2 3.88Å; Y248-Y431 AromaticContact CD1-CE1 3.62Å; Y248-Y431 HydrophobicContact CD1-CE1 3.62Å; Y248-Y431 AromaticContact CD1-CE2 3.82Å; Y248-Y431 HydrophobicContact CD1-CE2 3.82Å; Y248-Y431 AromaticContact CD1-CG 3.78Å; Y248-Y431 HydrophobicContact CD1-CG 3.78Å; Y248-Y431 AromaticContact CD1-CZ 3.68Å; Y248-Y431 HydrophobicContact CD2-CD1 4.23Å; Y248-Y431 AromaticContact CD2-CD2 3.54Å; Y248-Y431 HydrophobicContact CD2-CD2 3.54Å; Y248-Y431 HydrophobicContact CD2-CE2 4.2Å; Y248-Y431 AromaticContact CD2-CG 3.55Å; Y248-Y431 HydrophobicContact CD2-CG 3.55Å; Y248-Y431 AromaticContact CE1-CD1 3.56Å; Y248-Y431 HydrophobicContact CE1-CD1 3.56Å; Y248-Y431 HydrophobicContact CE1-CD2 4.46Å; Y248-Y431 AromaticContact CE1-CE1 3.86Å; Y248-Y431 HydrophobicContact CE1-CE1 3.86Å; Y248-Y431 AromaticContact CE1-CG 3.9Å; Y248-Y431 HydrophobicContact CE1-CG 3.9Å; Y248-Y431 VanDerWaalsContact CE2-CB 3.5Å; Y248-Y431 HydrophobicContact CE2-CD1 4.18Å; Y248-Y431 HydrophobicContact CE2-CD2 4.19Å; Y248-Y431 AromaticContact CE2-CG 3.7Å; Y248-Y431 HydrophobicContact CE2-CG 3.7Å; Y248-Y431 AromaticContact CG-CD1 3.99Å; Y248-Y431 HydrophobicContact CG-CD1 3.99Å; Y248-Y431 AromaticContact CG-CD2 3.37Å; Y248-Y431 HydrophobicContact CG-CD2 3.37Å; Y248-Y431 HydrophobicContact CG-CE1 4.16Å; Y248-Y431 AromaticContact CG-CE2 3.53Å; Y248-Y431 HydrophobicContact CG-CE2 3.53Å; Y248-Y431 AromaticContact CG-CG 3.6Å; Y248-Y431 HydrophobicContact CG-CG 3.6Å; Y248-Y431 AromaticContact CG-CZ 3.92Å; Y248-Y431 AromaticContact CZ-CD1 3.84Å; Y248-Y431 AromaticContact CZ-CG 3.86Å; N254-Y431 HydrophobicContact CB-CE1 4.26Å; N254-Y431 PolarHBondContact N-OH 2.9Å; C421-Y431 HydrophobicContact CB-CD2 3.85Å; C421-Y431 HydrophobicContact CB-CE2 3.7Å; A422-Y431 HydrophobicContact CB-CE2 4.35Å; D427-Y431 VanDerWaalsContact O-CB 3.28Å; D427-Y431 WeakPolarHBondContact O-CB 3.27Å; D427-Y431 PolarHBondContact O-N 3.2Å; Y431-K433 VanDerWaalsContact C-N 3.27Å; Y431-K433 PolarHBondContact O-N 3.38Å; Y431-C434 WeakPolarHBondContact O-CB 3.48Å; Y431-C434 PolarHBondContact O-N 3.28Å; Y431-C434 VanDerWaalsContact O-N 3.14Å; Y431-A435 HydrophobicContact CD1-CB 4.42Å; Y431-A435 HydrophobicContact CE1-CB 4.05Å; Y431-A435 WeakPolarHBondContact O-CB 3.43Å; Y431-A435 PolarHBondContact O-N 3.11Å
432	S	95.3	Very high	90.7	Very high	42 Å²	42	56.5 Å²	56.5	29%	0.294	31%	0.313	S	S	.	.	H	α-helix	trans	-62.1	-37.9	-179	-56.2	0	0	0	0	111.5	Q428 S430 S436	Q428-S432 VanDerWaalsContact O-CB 3.24Å; Q428-S432 WeakPolarHBondContact O-CB 3.43Å; Q428-S432 PolarHBondContact O-N 2.84Å; Q428-S432 PolarHBondContact O-OG 2.53Å; S430-S432 PolarHBondContact O-N 3.18Å; S432-S436 WeakPolarHBondContact O-CB 3.39Å; S432-S436 PolarHBondContact O-N 3.28Å; S432-S436 VanDerWaalsContact O-N 3.15Å; S432-S436 PolarHBondContact O-OG 3.1Å
433	K	94.9	Very high	90.3	Very high	167 Å²	167	59.4 Å²	59.4	73%	0.726	33%	0.328	S	S	*	.	H	α-helix	trans	-65.7	-42.1	175.9	-175.9	-179.8	177.2	-175	0	111.6	Q429 S430 Y431 S436 S437	Q429-K433 WeakPolarHBondContact O-CB 3.46Å; Q429-K433 PolarHBondContact O-N 2.85Å; S430-K433 PolarHBondContact O-N 2.94Å; Y431-K433 VanDerWaalsContact C-N 3.27Å; Y431-K433 PolarHBondContact O-N 3.38Å; K433-S436 PolarHBondContact O-OG 2.94Å; K433-S437 PolarHBondContact O-N 3.49Å
434	C	95.1	Very high	89.8	Confident	10 Å²	10	62.8 Å²	62.8	7%	0.068	35%	0.347	C	S	.	.	H	α-helix	trans	-62.5	-51.2	176.2	178.5	0	0	0	0	111.9	C421 Y425 S430 Y431 S436 S437 W440	C421-C434 WeakPolarHBondContact CA-SG 3.21Å; C421-C434 HydrophobicContact CB-CB 3.85Å; C421-C434 WeakPolarHBondContact CB-SG 3.37Å; C421-C434 WeakPolarHBondContact SG-CB 3.31Å; C421-C434 CovalentContact SG-SG 2.05Å; C421-C434 PolarHBondContact SG-SG 3.19Å; Y425-C434 HydrophobicContact CD2-CB 3.33Å; Y425-C434 WeakPolarHBondContact CD2-SG 3.43Å; Y425-C434 HydrophobicContact CE2-CB 3.45Å; Y425-C434 VanDerWaalsContact CE2-CB 3.45Å; Y425-C434 WeakPolarHBondContact CE2-SG 3.04Å; Y425-C434 HydrophobicContact CG-CB 4.34Å; S430-C434 PolarHBondContact O-N 3.17Å; Y431-C434 WeakPolarHBondContact O-CB 3.48Å; Y431-C434 PolarHBondContact O-N 3.28Å; Y431-C434 VanDerWaalsContact O-N 3.14Å; C434-S436 PolarHBondContact O-N 2.98Å; C434-S437 WeakPolarHBondContact O-CB 3.15Å; C434-S437 PolarHBondContact O-N 3.07Å; C434-S437 VanDerWaalsContact O-N 3.16Å; C434-W440 PolarHBondContact O-NE1 3.01Å; C434-W440 VanDerWaalsContact SG-CZ2 3.58Å
435	A	93.3	Very high	89.3	Confident	39 Å²	39	66.6 Å²	66.6	32%	0.322	37%	0.368	S	S	.	.	H	α-helix	trans	-69	-21.4	-175	0	0	0	0	0	113.7	V417 C421 Y431	V417-A435 HydrophobicContact CG1-CB 4.34Å; C421-A435 PolarHBondContact SG-N 3.44Å; C421-A435 VanDerWaalsContact SG-N 3.37Å; Y431-A435 HydrophobicContact CD1-CB 4.42Å; Y431-A435 HydrophobicContact CE1-CB 4.05Å; Y431-A435 WeakPolarHBondContact O-CB 3.43Å; Y431-A435 PolarHBondContact O-N 3.11Å
436	S	90.5	Very high	88.7	Confident	95 Å²	95	67 Å²	67	66%	0.664	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.5	-0.2	176.6	59.3	0	0	0	0	114.1	S432 K433 C434	S432-S436 WeakPolarHBondContact O-CB 3.39Å; S432-S436 PolarHBondContact O-N 3.28Å; S432-S436 VanDerWaalsContact O-N 3.15Å; S432-S436 PolarHBondContact O-OG 3.1Å; K433-S436 PolarHBondContact O-OG 2.94Å; C434-S436 PolarHBondContact O-N 2.98Å
437	S	82.6	Confident	88	Confident	41 Å²	41	71.6 Å²	71.6	29%	0.287	40%	0.402	S	S	.	.			trans	-62	143.8	179.9	-170.4	0	0	0	0	111.2	K433 C434 D439 W440	K433-S437 PolarHBondContact O-N 3.49Å; C434-S437 WeakPolarHBondContact O-CB 3.15Å; C434-S437 PolarHBondContact O-N 3.07Å; C434-S437 VanDerWaalsContact O-N 3.16Å; S437-D439 WeakPolarHBondContact OG-CB 3.44Å; S437-D439 PolarHBondContact OG-N 2.84Å; S437-D439 PolarHBondContact OG-OD2 3Å; S437-W440 VanDerWaalsContact O-CD1 3.26Å
438	A	63.1	Low	87.3	Confident	98 Å²	98	75.7 Å²	75.7	81%	0.81	43%	0.426	S	S	*	.	S	Bend	trans	-82.2	-5.2	171.5	0	0	0	0	0	112.5	W440	A438-W440 VanDerWaalsContact C-N 3.27Å; A438-W440 PolarHBondContact O-N 3.29Å
439	D	64.9	Low	86.6	Confident	134 Å²	134	76 Å²	76	72%	0.717	43%	0.433	S	S	*	.			trans	-87	26.8	-170.9	-59.4	-35.8	0	0	0	114	S437	S437-D439 WeakPolarHBondContact OG-CB 3.44Å; S437-D439 PolarHBondContact OG-N 2.84Å; S437-D439 PolarHBondContact OG-OD2 3Å
440	W	72	Confident	85.8	Confident	93 Å²	93	67.7 Å²	67.7	35%	0.352	40%	0.402	S	S	.	.			trans	-99.3	0	-177.1	-72.3	111.3	0	0	0	114.8	M387 V417 V420 C421 C434 S437 A438	M387-W440 HydrophobicContact CB-CZ3 4.38Å; M387-W440 HydrophobicContact CE-CH2 3.95Å; M387-W440 HydrophobicContact CE-CZ2 4.09Å; M387-W440 HydrophobicContact CE-CZ3 4.4Å; M387-W440 HydrophobicContact CG-CH2 3.96Å; M387-W440 HydrophobicContact CG-CZ3 4.07Å; V417-W440 HydrophobicContact CB-CD2 4.45Å; V417-W440 HydrophobicContact CG1-CZ2 4.33Å; V417-W440 HydrophobicContact CG2-CB 4.09Å; V417-W440 HydrophobicContact CG2-CD2 3.63Å; V417-W440 HydrophobicContact CG2-CE3 4.1Å; V417-W440 HydrophobicContact CG2-CG 3.59Å; V420-W440 HydrophobicContact CB-CH2 3.65Å; V420-W440 HydrophobicContact CB-CZ3 3.99Å; V420-W440 HydrophobicContact CG1-CH2 3.65Å; V420-W440 HydrophobicContact CG1-CZ3 4.1Å; V420-W440 HydrophobicContact CG2-CZ3 4.36Å; C421-W440 VanDerWaalsContact SG-CZ2 3.52Å; C434-W440 PolarHBondContact O-NE1 3.01Å; C434-W440 VanDerWaalsContact SG-CZ2 3.58Å; S437-W440 VanDerWaalsContact O-CD1 3.26Å; A438-W440 VanDerWaalsContact C-N 3.27Å; A438-W440 PolarHBondContact O-N 3.29Å

Retrieved 440 of 440 residues in 3824.3 ms (Link to these results)

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