A0A087XTB2_POEFO Loading...

folate gamma-glutamyl hydrolase

AlphaFold DB (A0A3B3TX40), UniProt , Accession A0A087XTB2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 319 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	37.6	Very low	39	Very low	240 Å²	240	136.2 Å²	136.2	100%	1.182	85%	0.851	S	S	*	*				0	138.5	0	-93.4	-170.9	-96.5	0	0	108.7
2	R	35.1	Very low	39.2	Very low	255 Å²	255	138.3 Å²	138.3	96%	0.962	85%	0.851	S	S	*	*			trans	81.6	117.4	178	-59.8	-175.2	175.9	-168.4	-1.7	116.6
3	G	32.6	Very low	39.6	Very low	71 Å²	71	136.4 Å²	136.4	73%	0.732	84%	0.839	S	S	*	*			trans	-88.1	-140	167.8	0	0	0	0	0	112.2
4	P	61.8	Low	39.8	Very low	135 Å²	135	133.1 Å²	133.1	88%	0.877	83%	0.832	S	S	*	*				-123.3	169.1	-88.8	38.3	-28.6	0	0	0	112.8
5	A	36.7	Very low	39.8	Very low	104 Å²	104	136.9 Å²	136.9	86%	0.86	83%	0.832	S	S	*	*			trans	171.3	147.3	155.1	0	0	0	0	0	108.2
6	A	36.4	Very low	40	Very low	99 Å²	99	138.3 Å²	138.3	82%	0.818	83%	0.832	S	S	*	*			cis	-158.2	159.3	4	0	0	0	0	0	108.9
7	A	38.6	Very low	40.2	Very low	93 Å²	93	140.2 Å²	140.2	77%	0.769	84%	0.836	S	S	*	*			trans	-70	148.4	-178.4	0	0	0	0	0	114
8	G	33.9	Very low	40.2	Very low	78 Å²	78	139.1 Å²	139.1	80%	0.804	84%	0.835	S	S	*	*			trans	-137.7	105.2	160.1	0	0	0	0	0	108.8
9	F	38.2	Very low	40.7	Very low	188 Å²	188	134.7 Å²	134.7	83%	0.825	82%	0.821	S	S	*	*			trans	-71.2	126.6	174.5	-91.5	-99.4	0	0	0	110.3
10	S	37.6	Very low	40.9	Very low	116 Å²	116	134.2 Å²	134.2	81%	0.811	82%	0.82	S	S	*	*			trans	-134.4	106.6	156.5	-94.2	0	0	0	0	108.5	L12	S10-L12 PolarHBondContact O-N 3.46Å
11	V	40.8	Very low	41.3	Very low	119 Å²	119	135.5 Å²	135.5	72%	0.721	82%	0.821	S	S	*	*			trans	-80.9	109.2	173	175.8	0	0	0	0	107.5	T13	V11-T13 HydrophobicContact CG1-CG2 4.23Å
12	L	41.6	Very low	41.8	Very low	162 Å²	162	132 Å²	132	85%	0.848	81%	0.806	S	S	*	*			trans	-105.3	97.7	165.6	-106.7	135.8	0	0	0	107.6	S10 A14	S10-L12 PolarHBondContact O-N 3.46Å; L12-A14 PolarHBondContact O-N 3.12Å; L12-A14 VanDerWaalsContact O-N 3.12Å
13	T	43.6	Very low	42.3	Very low	113 Å²	113	125.2 Å²	125.2	69%	0.693	80%	0.797	S	S	*	*			trans	-68.7	99.2	168.6	35.2	0	0	0	0	109.3	V11 F15	V11-T13 HydrophobicContact CG1-CG2 4.23Å; T13-F15 PolarHBondContact O-N 3.12Å
14	A	42.6	Very low	43	Very low	90 Å²	90	126.4 Å²	126.4	74%	0.744	80%	0.8	S	S	*	*			trans	-80.6	109.1	167.3	0	0	0	0	0	109.3	L12 L16	L12-A14 PolarHBondContact O-N 3.12Å; L12-A14 VanDerWaalsContact O-N 3.12Å; A14-L16 PolarHBondContact O-N 3.47Å; A14-L16 VanDerWaalsContact O-N 3.12Å
15	F	40.1	Very low	42.4	Very low	191 Å²	191	124.2 Å²	124.2	84%	0.838	79%	0.793	S	S	*	*			trans	-68.2	101.8	166.6	-90.5	-89.8	0	0	0	109.2	T13 L17	T13-F15 PolarHBondContact O-N 3.12Å; F15-L17 PolarHBondContact O-N 2.96Å
16	L	43.3	Very low	43.1	Very low	159 Å²	159	123.9 Å²	123.9	83%	0.832	79%	0.791	S	S	*	*			trans	-75.7	97.2	165.1	-83	156.2	0	0	0	108.5	A14 C18	A14-L16 PolarHBondContact O-N 3.47Å; A14-L16 VanDerWaalsContact O-N 3.12Å; L16-C18 PolarHBondContact O-N 3.21Å
17	L	42.3	Very low	43.7	Very low	170 Å²	170	130.8 Å²	130.8	89%	0.89	80%	0.795	S	S	*	*			trans	-68.9	84.1	163.2	-80.9	157.6	0	0	0	108.8	F15 G19	F15-L17 PolarHBondContact O-N 2.96Å; L17-G19 VanDerWaalsContact C-N 3.33Å; L17-G19 PolarHBondContact O-N 3.05Å
18	C	41.8	Very low	44.5	Very low	121 Å²	121	131.5 Å²	131.5	82%	0.818	80%	0.795	S	S	*	*			trans	-70.1	92.5	162.1	-93.7	0	0	0	0	108.4	L16	L16-C18 PolarHBondContact O-N 3.21Å
19	G	48.4	Very low	45.8	Very low	55 Å²	55	133.6 Å²	133.6	57%	0.567	78%	0.784	S	S	*	*			trans	-62.4	146	163.8	0	0	0	0	0	110.2	L17 L21	L17-G19 VanDerWaalsContact C-N 3.33Å; L17-G19 PolarHBondContact O-N 3.05Å; G19-L21 PolarHBondContact O-N 3.07Å; G19-L21 VanDerWaalsContact O-N 3.07Å
20	P	45.2	Very low	47.7	Very low	124 Å²	124	131.9 Å²	131.9	81%	0.805	78%	0.778	S	S	*	*			trans	-65.5	114.9	-179.8	26.6	-31.5	0	0	0	109.2	L22	P20-L22 VanDerWaalsContact C-N 3.35Å; P20-L22 PolarHBondContact O-N 2.89Å
21	L	48.7	Very low	50	Low	162 Å²	162	131.2 Å²	131.2	85%	0.848	76%	0.762	S	S	*	*			trans	-57.7	101.7	161.1	-88.6	139.2	0	0	0	107.1	G19 C23	G19-L21 PolarHBondContact O-N 3.07Å; G19-L21 VanDerWaalsContact O-N 3.07Å; L21-C23 PolarHBondContact O-N 2.79Å
22	L	47.7	Very low	52.2	Low	166 Å²	166	127.3 Å²	127.3	87%	0.869	74%	0.737	S	S	*	*			trans	-62.5	85.1	161.2	-82.5	151.5	0	0	0	106.9	P20 A24	P20-L22 VanDerWaalsContact C-N 3.35Å; P20-L22 PolarHBondContact O-N 2.89Å; L22-A24 VanDerWaalsContact C-N 3.27Å; L22-A24 PolarHBondContact O-N 2.93Å
23	C	46	Very low	54.8	Low	113 Å²	113	125.8 Å²	125.8	76%	0.764	73%	0.73	S	S	*	*			trans	-58.3	100.7	159.5	-81.4	0	0	0	0	106.1	L21 A25	L21-C23 PolarHBondContact O-N 2.79Å; C23-A25 PolarHBondContact O-N 2.8Å
24	A	48.3	Very low	57.3	Low	97 Å²	97	127.8 Å²	127.8	80%	0.802	73%	0.725	S	S	*	*			trans	-58.8	95.2	162.6	0	0	0	0	0	106.1	L22 A26	L22-A24 VanDerWaalsContact C-N 3.27Å; L22-A24 PolarHBondContact O-N 2.93Å; A24-A26 PolarHBondContact O-N 2.84Å
25	A	48.8	Very low	60	Low	89 Å²	89	123.6 Å²	123.6	74%	0.736	69%	0.69	S	S	*	*			trans	-53.5	113.2	168.7	0	0	0	0	0	105.7	C23 R27	C23-A25 PolarHBondContact O-N 2.8Å; A25-R27 VanDerWaalsContact C-N 3.32Å; A25-R27 PolarHBondContact O-N 2.95Å
26	A	50.3	Low	62.8	Low	97 Å²	97	114.7 Å²	114.7	80%	0.802	65%	0.651	S	S	*	*			trans	-54.4	106.8	166.8	0	0	0	0	0	105.3	A24 S28	A24-A26 PolarHBondContact O-N 2.84Å; A26-S28 VanDerWaalsContact C-N 3.27Å; A26-S28 PolarHBondContact O-N 3.14Å
27	R	49.7	Very low	65.4	Low	243 Å²	243	107.1 Å²	107.1	92%	0.917	61%	0.611	S	S	*	*			trans	-57.5	102.5	169.2	-104.2	177.1	172.7	168.1	-2.7	104.6	A25 Q29	A25-R27 VanDerWaalsContact C-N 3.32Å; A25-R27 PolarHBondContact O-N 2.95Å; R27-Q29 VanDerWaalsContact C-N 3.31Å; R27-Q29 PolarHBondContact O-N 3.34Å
28	S	55.7	Low	68.1	Low	108 Å²	108	99 Å²	99	76%	0.755	57%	0.569	S	S	*	*			trans	-58	106.3	164	56.6	0	0	0	0	104.7	A26 Q30	A26-S28 VanDerWaalsContact C-N 3.27Å; A26-S28 PolarHBondContact O-N 3.14Å; S28-Q30 VanDerWaalsContact C-N 3.31Å; S28-Q30 PolarHBondContact O-N 3.4Å
29	Q	61.6	Low	70.8	Confident	122 Å²	122	93.2 Å²	93.2	57%	0.57	53%	0.53	S	S	*	.			trans	-64.3	102.6	175.6	-171.5	158.1	3.5	0	0	105.8	R27 H31	R27-Q29 VanDerWaalsContact C-N 3.31Å; R27-Q29 PolarHBondContact O-N 3.34Å; Q29-H31 PolarHBondContact O-CD2 2.9Å; Q29-H31 PolarHBondContact O-N 2.81Å
30	Q	77.2	Confident	73.2	Confident	152 Å²	152	90.6 Å²	90.6	71%	0.71	50%	0.503	S	S	*	.			trans	-62.6	113.8	-175.4	-174.7	173.8	0.3	0	0	107.4	S28 Q284	S28-Q30 VanDerWaalsContact C-N 3.31Å; S28-Q30 PolarHBondContact O-N 3.4Å; Q30-Q284 PolarHBondContact O-NE2 3.07Å; Q30-Q284 PolarHBondContact O-OE1 2.62Å
31	H	85.6	Confident	75.8	Confident	102 Å²	102	84.7 Å²	84.7	47%	0.472	47%	0.465	S	S	.	.			trans	-67.4	142.1	176	-69.4	173.9	0	0	0	109.7	Q29 D33 L281	Q29-H31 PolarHBondContact O-CD2 2.9Å; Q29-H31 PolarHBondContact O-N 2.81Å; H31-D33 PolarHBondContact O-N 3.17Å; H31-L281 WeakPolarHBondContact CA-O 3.16Å; H31-L281 HydrophobicContact CB-CB 4.48Å
32	N	88.4	Confident	78.1	Confident	38 Å²	38	77.1 Å²	77.1	20%	0.203	43%	0.425	C	S	.	.			trans	-85.7	93.6	168.8	177.4	3.2	0	0	0	108.9	R34 P35 N92 L281	N32-R34 PolarHBondContact O-N 3.26Å; N32-R34 PolarHBondContact OD1-N 3.4Å; N32-P35 WeakPolarHBondContact O-CD 3.01Å; N32-N92 PolarHBondContact ND2-ND2 3.07Å; N32-N92 PolarHBondContact ND2-OD1 3.21Å; N32-L281 PolarHBondContact N-O 2.89Å; N32-L281 WeakPolarHBondContact O-CD2 3.2Å
33	D	94.7	Very high	80.5	Confident	129 Å²	129	71.5 Å²	71.5	69%	0.69	39%	0.394	S	S	*	.	S	Bend	trans	-70.3	6.2	-177.9	-60.7	-31.8	0	0	0	114.4	H31	H31-D33 PolarHBondContact O-N 3.17Å
34	R	97.2	Very high	82.9	Confident	155 Å²	155	67.7 Å²	67.7	59%	0.585	37%	0.366	S	S	*	.	S	Bend	trans	-130.7	53.1	177.8	-59.8	179.7	59.5	78.9	-0	112	N32 R71	N32-R34 PolarHBondContact O-N 3.26Å; N32-R34 PolarHBondContact OD1-N 3.4Å; R34-R71 PolarHBondContact O-NH2 3.18Å
35	P	98.5	Very high	84.8	Confident	2 Å²	2	65.6 Å²	65.6	1%	0.013	34%	0.341	C	S	.	.			trans	-65.1	143	-171	31.6	-36.9	0	0	0	111.5	N32 A70 R71 N92 V277 A280 L281	N32-P35 WeakPolarHBondContact O-CD 3.01Å; P35-A70 HydrophobicContact CG-CB 4.16Å; P35-R71 PolarHBondContact O-N 3.38Å; P35-N92 HydrophobicContact CB-CB 4.22Å; P35-V277 HydrophobicContact CG-CG1 3.96Å; P35-A280 HydrophobicContact CB-CB 4.03Å; P35-L281 HydrophobicContact CB-CD2 4.19Å; P35-L281 HydrophobicContact CG-CD2 3.55Å
36	I	98.9	Very high	86.4	Confident	4 Å²	4	67.8 Å²	67.8	2%	0.021	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	118.9	171.5	-58.2	170.5	0	0	0	107.8	R71 A73 I91 N92 F287 E293 L297	I36-R71 CarbonylContact C-O 3.05Å; I36-R71 WeakPolarHBondContact CA-O 3.5Å; I36-R71 HydrophobicContact CG1-CB 4.2Å; I36-A73 HydrophobicContact CG2-CB 3.87Å; I36-I91 HydrophobicContact CG2-CG2 4.26Å; I36-N92 PolarHBondContact N-OD1 2.69Å; I36-N92 PolarHBondContact O-N 3.46Å; I36-F287 HydrophobicContact CD1-CD2 3.73Å; I36-F287 HydrophobicContact CD1-CE2 3.56Å; I36-F287 HydrophobicContact CG2-CE2 4.21Å; I36-E293 HydrophobicContact CD1-CG 3.58Å; I36-L297 HydrophobicContact CD1-CD2 4.19Å; I36-L297 HydrophobicContact CG1-CD2 4.34Å; I36-L297 HydrophobicContact CG2-CD2 4.05Å
37	I	98.9	Very high	88.1	Confident	0 Å²	0	69 Å²	69	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	129.8	-180	-65	172.9	0	0	0	108.9	L65 A70 R71 V72 A73 L95 F276 V277 A280	I37-L65 HydrophobicContact CB-CD1 4.06Å; I37-L65 HydrophobicContact CD1-CD2 4.03Å; I37-L65 HydrophobicContact CG2-CD1 3.66Å; I37-L65 HydrophobicContact CG2-CD2 4.36Å; I37-A70 HydrophobicContact CD1-CB 3.8Å; I37-A70 HydrophobicContact CG1-CB 4.22Å; I37-R71 PolarHBondContact N-O 2.7Å; I37-V72 WeakPolarHBondContact O-CA 3.43Å; I37-A73 PolarHBondContact O-N 2.76Å; I37-L95 HydrophobicContact CG2-CB 4.41Å; I37-F276 HydrophobicContact CD1-CD1 4.13Å; I37-F276 HydrophobicContact CD1-CE1 3.98Å; I37-F276 HydrophobicContact CG2-CE1 3.76Å; I37-F276 HydrophobicContact CG2-CZ 4.31Å; I37-V277 HydrophobicContact CD1-CG2 4.05Å; I37-A280 HydrophobicContact CD1-CB 3.79Å; I37-A280 HydrophobicContact CG1-CB 3.84Å
38	G	98.9	Very high	90	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	134.7	172.5	0	0	0	0	0	111	A73 G93 L94 L95	G38-A73 CarbonylContact C-O 3.53Å; G38-A73 VanDerWaalsContact CA-O 3.27Å; G38-A73 WeakPolarHBondContact CA-O 3.39Å; G38-G93 PolarHBondContact N-O 3.11Å; G38-L94 CarbonylContact O-C 3.58Å; G38-L94 WeakPolarHBondContact O-CA 3.43Å; G38-L95 PolarHBondContact O-N 2.99Å
39	V	98.9	Very high	91.7	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.8	167.9	179.6	0	0	0	0	108.4	A41 I57 L65 V72 A73 I75 L95 P97	V39-A41 PolarHBondContact O-N 3.07Å; V39-I57 HydrophobicContact CB-CD1 4.2Å; V39-I57 HydrophobicContact CB-CG2 4.46Å; V39-I57 HydrophobicContact CG1-CD1 4.11Å; V39-I57 HydrophobicContact CG1-CG1 4.28Å; V39-I57 HydrophobicContact CG1-CG2 3.64Å; V39-I57 VanDerWaalsContact O-CD1 3.25Å; V39-I57 WeakPolarHBondContact O-CD1 3.38Å; V39-L65 HydrophobicContact CG2-CD1 3.46Å; V39-L65 VanDerWaalsContact CG2-CD1 3.46Å; V39-V72 HydrophobicContact CB-CG1 4.19Å; V39-V72 HydrophobicContact CG2-CG1 3.63Å; V39-A73 PolarHBondContact N-O 3.01Å; V39-I75 PolarHBondContact O-N 3.26Å; V39-L95 HydrophobicContact CG1-CD2 4.09Å; V39-L95 HydrophobicContact CG2-CB 4.3Å; V39-P97 HydrophobicContact CG1-CG 4.41Å
40	L	98.9	Very high	93.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	120.5	-178	-171.1	61.8	0	0	0	110.9	I75 I77 L95 L96 P97 F108 A111 A112	L40-I75 HydrophobicContact CD1-CB 3.97Å; L40-I75 HydrophobicContact CD1-CG2 3.77Å; L40-I77 HydrophobicContact CD1-CG2 4.34Å; L40-L95 PolarHBondContact N-O 2.95Å; L40-L96 HydrophobicContact CB-CD2 4.03Å; L40-L96 HydrophobicContact CD2-CD2 3.54Å; L40-L96 HydrophobicContact CG-CD2 4.44Å; L40-P97 VanDerWaalsContact O-CD 3.25Å; L40-P97 WeakPolarHBondContact O-CD 3.3Å; L40-P97 WeakPolarHBondContact O-CG 3.34Å; L40-F108 HydrophobicContact CB-CD2 4.47Å; L40-F108 HydrophobicContact CB-CE2 4.13Å; L40-F108 HydrophobicContact CD2-CD2 3.61Å; L40-F108 HydrophobicContact CD2-CE2 3.68Å; L40-F108 HydrophobicContact CD2-CG 4.16Å; L40-F108 HydrophobicContact CD2-CZ 4.27Å; L40-F108 HydrophobicContact CG-CD2 3.81Å; L40-F108 HydrophobicContact CG-CE2 3.94Å; L40-A111 HydrophobicContact CD1-CB 3.68Å; L40-A111 HydrophobicContact CD2-CB 4.07Å; L40-A112 HydrophobicContact CD2-CB 3.94Å
41	A	98.8	Very high	93.9	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.284	C	S	.	.			trans	-65.8	163.8	169.5	0	0	0	0	0	110.5	V39 Y56 I57 I75 I77 F108 F318	V39-A41 PolarHBondContact O-N 3.07Å; A41-Y56 VanDerWaalsContact CA-O 3.32Å; A41-Y56 WeakPolarHBondContact CA-O 3.36Å; A41-I57 VanDerWaalsContact CA-CG1 3.5Å; A41-I57 HydrophobicContact CB-CD1 4.09Å; A41-I57 HydrophobicContact CB-CG1 3.75Å; A41-I75 WeakPolarHBondContact CB-O 3.18Å; A41-I75 PolarHBondContact N-O 2.84Å; A41-I77 HydrophobicContact CB-CG2 4.4Å; A41-I77 WeakPolarHBondContact O-CG2 3.48Å; A41-F108 WeakPolarHBondContact O-CD2 3.4Å; A41-F318 HydrophobicContact CB-CD2 4.23Å
42	Q	98.1	Very high	94.2	Very high	3 Å²	3	58 Å²	58	1%	0.014	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	162.2	175	68.3	-169	-94.8	0	0	109.4	S55 Y56 G98 V101 F108	Q42-S55 CarbonylContact O-C 3.41Å; Q42-S55 WeakPolarHBondContact O-CA 3.49Å; Q42-S55 WeakPolarHBondContact O-CB 3.08Å; Q42-Y56 HydrophobicContact CG-CD1 3.87Å; Q42-Y56 HydrophobicContact CG-CE1 3.38Å; Q42-Y56 PolarHBondContact N-O 3.46Å; Q42-Y56 PolarHBondContact O-N 2.93Å; Q42-Y56 PolarHBondContact OE1-OH 3.42Å; Q42-G98 PolarHBondContact NE2-O 2.64Å; Q42-V101 HydrophobicContact CB-CG1 4.15Å; Q42-V101 HydrophobicContact CB-CG2 4.46Å; Q42-V101 HydrophobicContact CG-CG1 4.47Å; Q42-F108 HydrophobicContact CB-CB 4.29Å; Q42-F108 HydrophobicContact CB-CD2 3.82Å; Q42-F108 HydrophobicContact CB-CG 4.35Å
43	E	97.9	Very high	94.4	Very high	47 Å²	47	58 Å²	58	22%	0.22	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.1	145.2	176.1	-65.1	87.3	153.8	0	0	111.2	Y56 I77 V101 S106 Q107	E43-Y56 WeakPolarHBondContact O-CD1 3.14Å; E43-Y56 VanDerWaalsContact O-CE1 3.27Å; E43-Y56 WeakPolarHBondContact O-CE1 3.49Å; E43-I77 HydrophobicContact CB-CD1 4.4Å; E43-I77 HydrophobicContact CG-CD1 3.71Å; E43-V101 HydrophobicContact CB-CG1 3.93Å; E43-S106 WeakPolarHBondContact OE1-CA 3.28Å; E43-S106 VanDerWaalsContact OE1-CB 3.29Å; E43-S106 WeakPolarHBondContact OE1-CB 3.26Å; E43-Q107 WeakPolarHBondContact OE1-CB 3.42Å; E43-Q107 PolarHBondContact OE1-N 3.44Å
44	N	96.1	Very high	94.4	Very high	34 Å²	34	53.8 Å²	53.8	18%	0.182	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-57.5	148.7	177	-69	-36.5	0	0	0	111.6	A51 G53 S54 S55 Y317	N44-A51 HydrophobicContact CB-CB 4.17Å; N44-G53 PolarHBondContact ND2-O 3.24Å; N44-S54 PolarHBondContact N-O 3.32Å; N44-S55 VanDerWaalsContact OD1-C 3.22Å; N44-S55 PolarHBondContact OD1-O 3.25Å; N44-Y317 WeakPolarHBondContact OD1-CD1 3.36Å; N44-Y317 WeakPolarHBondContact OD1-CE1 3.5Å
45	L	87.7	Confident	94.5	Very high	53 Å²	53	46.4 Å²	46.4	28%	0.277	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-62.2	142.3	172.3	-54.9	169.9	0	0	0	109	D47 D48 Y56	L45-D47 PolarHBondContact O-N 2.92Å; L45-D48 HydrophobicContact CB-CB 4.08Å; L45-D48 WeakPolarHBondContact O-CB 3.46Å; L45-D48 PolarHBondContact O-N 2.98Å; L45-Y56 HydrophobicContact CD2-CE1 4.29Å; L45-Y56 HydrophobicContact CG-CE1 4.1Å
46	S	83.4	Confident	94.5	Very high	134 Å²	134	46.4 Å²	46.4	94%	0.937	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-26.9	-171.6	49.2	0	0	0	0	114
47	D	84.2	Confident	94.5	Very high	122 Å²	122	46.2 Å²	46.2	65%	0.652	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	15.8	179.4	61.3	-15.4	0	0	0	112.7	L45 Q49	L45-D47 PolarHBondContact O-N 2.92Å; D47-Q49 PolarHBondContact O-N 3.27Å
48	D	89.6	Confident	94.5	Very high	14 Å²	14	46.3 Å²	46.3	8%	0.075	25%	0.253	C	S	.	.			trans	-73.7	93.4	-178.9	-170	-35.4	0	0	0	112.2	L45 F50 A51 R306 Y317	L45-D48 HydrophobicContact CB-CB 4.08Å; L45-D48 WeakPolarHBondContact O-CB 3.46Å; L45-D48 PolarHBondContact O-N 2.98Å; D48-F50 PolarHBondContact O-N 2.86Å; D48-F50 VanDerWaalsContact OD1-C 3.29Å; D48-F50 WeakPolarHBondContact OD1-CA 3.5Å; D48-F50 PolarHBondContact OD1-N 2.88Å; D48-A51 HydrophobicContact CB-CB 4.04Å; D48-A51 VanDerWaalsContact O-CB 3.28Å; D48-A51 WeakPolarHBondContact O-CB 3.16Å; D48-A51 PolarHBondContact O-N 3.06Å; D48-A51 WeakPolarHBondContact OD1-CA 3.46Å; D48-A51 PolarHBondContact OD1-N 3.38Å; D48-R306 IonicContact OD1-CZ 3.34Å; D48-R306 IonicContact OD1-NH1 2.51Å; D48-R306 PolarHBondContact OD1-NH1 2.71Å; D48-R306 IonicContact OD1-NH2 3.53Å; D48-R306 IonicContact OD2-CZ 3.46Å; D48-R306 IonicContact OD2-NH1 3.23Å; D48-R306 PolarHBondContact OD2-NH1 2.71Å; D48-R306 IonicContact OD2-NH2 3.63Å; D48-Y317 VanDerWaalsContact CG-OH 3.24Å; D48-Y317 PolarHBondContact OD1-OH 2.51Å; D48-Y317 VanDerWaalsContact OD1-OH 3.13Å; D48-Y317 WeakPolarHBondContact OD2-CE1 3.48Å; D48-Y317 PolarHBondContact OD2-OH 2.94Å
49	Q	91.8	Very high	94.4	Very high	183 Å²	183	46.3 Å²	46.3	86%	0.855	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-12.3	177	-61.9	179.8	33.4	0	0	115	D47	D47-Q49 PolarHBondContact O-N 3.27Å
50	F	93	Very high	94.4	Very high	96 Å²	96	46.3 Å²	46.3	42%	0.421	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	7.6	178.9	-46.4	-115.5	0	0	0	111.9	D48 R52 V304	D48-F50 PolarHBondContact O-N 2.86Å; D48-F50 VanDerWaalsContact OD1-C 3.29Å; D48-F50 WeakPolarHBondContact OD1-CA 3.5Å; D48-F50 PolarHBondContact OD1-N 2.88Å; F50-R52 PolarHBondContact O-N 3.15Å; F50-V304 HydrophobicContact CB-CG1 4.15Å; F50-V304 HydrophobicContact CD1-CG1 4.39Å
51	A	92.3	Very high	94.4	Very high	43 Å²	43	46.4 Å²	46.4	36%	0.355	25%	0.253	S	S	.	.			trans	-57.3	133.9	-174.8	0	0	0	0	0	110.1	N44 D48 Y317	N44-A51 HydrophobicContact CB-CB 4.17Å; D48-A51 HydrophobicContact CB-CB 4.04Å; D48-A51 VanDerWaalsContact O-CB 3.28Å; D48-A51 WeakPolarHBondContact O-CB 3.16Å; D48-A51 PolarHBondContact O-N 3.06Å; D48-A51 WeakPolarHBondContact OD1-CA 3.46Å; D48-A51 PolarHBondContact OD1-N 3.38Å; A51-Y317 HydrophobicContact CB-CE1 4.34Å
52	R	92.7	Very high	94.5	Very high	160 Å²	160	46.4 Å²	46.4	60%	0.604	25%	0.253	S	S	*	.			trans	-123	133.6	169.4	-50.9	-179	-178.2	177.9	-1.4	107.1	F50 V304 Y317	F50-R52 PolarHBondContact O-N 3.15Å; R52-V304 VanDerWaalsContact CZ-CG2 3.49Å; R52-Y317 HydrophobicContact CB-CG 4.15Å; R52-Y317 HydrophobicContact CG-CD2 4.45Å; R52-Y317 WeakPolarHBondContact O-CB 3.42Å
53	G	93	Very high	94.5	Very high	39 Å²	39	49.1 Å²	49.1	40%	0.402	27%	0.265	S	S	.	.	S	Bend	trans	61.6	-149.5	-174.8	0	0	0	0	0	114.7	N44 D319	N44-G53 PolarHBondContact ND2-O 3.24Å; G53-D319 WeakPolarHBondContact CA-OD1 3.28Å
54	S	94.7	Very high	94.5	Very high	40 Å²	40	47 Å²	47	28%	0.28	26%	0.255	S	S	.	.	S	Bend	trans	-104.1	-15.6	-168	72	0	0	0	0	114.2	N44 N78 F318 D319	N44-S54 PolarHBondContact N-O 3.32Å; S54-N78 PolarHBondContact OG-ND2 3.02Å; S54-F318 PolarHBondContact N-O 3.02Å; S54-D319 WeakPolarHBondContact CB-OXT 3.07Å; S54-D319 VanDerWaalsContact OG-C 3.24Å; S54-D319 PolarHBondContact OG-OXT 3.1Å
55	S	97.9	Very high	94.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	162.7	-171	63.9	0	0	0	0	113.6	Q42 N44 Y317 F318	Q42-S55 CarbonylContact O-C 3.41Å; Q42-S55 WeakPolarHBondContact O-CA 3.49Å; Q42-S55 WeakPolarHBondContact O-CB 3.08Å; N44-S55 VanDerWaalsContact OD1-C 3.22Å; N44-S55 PolarHBondContact OD1-O 3.25Å; S55-Y317 CarbonylContact O-C 3.58Å; S55-Y317 WeakPolarHBondContact O-CA 3.49Å; S55-F318 PolarHBondContact N-O 3.05Å; S55-F318 PolarHBondContact O-N 2.91Å; S55-F318 PolarHBondContact OG-O 3.18Å
56	Y	98.4	Very high	95.2	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	163.1	177.9	83.1	-75	0	0	0	113.5	A41 Q42 E43 L45 A58 F312 N315 Y316	A41-Y56 VanDerWaalsContact CA-O 3.32Å; A41-Y56 WeakPolarHBondContact CA-O 3.36Å; Q42-Y56 HydrophobicContact CG-CD1 3.87Å; Q42-Y56 HydrophobicContact CG-CE1 3.38Å; Q42-Y56 PolarHBondContact N-O 3.46Å; Q42-Y56 PolarHBondContact O-N 2.93Å; Q42-Y56 PolarHBondContact OE1-OH 3.42Å; E43-Y56 WeakPolarHBondContact O-CD1 3.14Å; E43-Y56 VanDerWaalsContact O-CE1 3.27Å; E43-Y56 WeakPolarHBondContact O-CE1 3.49Å; L45-Y56 HydrophobicContact CD2-CE1 4.29Å; L45-Y56 HydrophobicContact CG-CE1 4.1Å; Y56-A58 HydrophobicContact CE2-CB 4.39Å; Y56-F312 HydrophobicContact CE2-CD2 4.16Å; Y56-F312 HydrophobicContact CE2-CE2 4.21Å; Y56-N315 HydrophobicContact CD2-CB 4.15Å; Y56-Y316 CarbonylContact C-O 3.47Å; Y56-Y316 WeakPolarHBondContact CA-O 3.28Å; Y56-Y316 VanDerWaalsContact CB-O 3.28Å; Y56-Y316 WeakPolarHBondContact CB-O 3.44Å
57	I	98.8	Very high	95.9	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	126.5	164.2	-66.5	168.2	0	0	0	107.4	V39 A41 A59 V62 P74 Y316 F318	V39-I57 HydrophobicContact CB-CD1 4.2Å; V39-I57 HydrophobicContact CB-CG2 4.46Å; V39-I57 HydrophobicContact CG1-CD1 4.11Å; V39-I57 HydrophobicContact CG1-CG1 4.28Å; V39-I57 HydrophobicContact CG1-CG2 3.64Å; V39-I57 VanDerWaalsContact O-CD1 3.25Å; V39-I57 WeakPolarHBondContact O-CD1 3.38Å; A41-I57 VanDerWaalsContact CA-CG1 3.5Å; A41-I57 HydrophobicContact CB-CD1 4.09Å; A41-I57 HydrophobicContact CB-CG1 3.75Å; I57-A59 PolarHBondContact O-N 2.9Å; I57-V62 HydrophobicContact CG2-CG2 4.15Å; I57-P74 HydrophobicContact CD1-CB 3.63Å; I57-Y316 PolarHBondContact N-O 3.44Å; I57-Y316 PolarHBondContact O-N 3.23Å; I57-F318 HydrophobicContact CB-CE2 3.96Å; I57-F318 HydrophobicContact CD1-CE2 3.69Å; I57-F318 HydrophobicContact CD1-CZ 3.95Å; I57-F318 HydrophobicContact CG1-CE2 3.73Å; I57-F318 HydrophobicContact CG1-CZ 4.42Å
58	A	98.6	Very high	96.6	Very high	2 Å²	2	37.1 Å²	37.1	2%	0.017	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	131.9	171.4	0	0	0	0	0	110.7	Y56 S60 Y61 F312 N315	Y56-A58 HydrophobicContact CE2-CB 4.39Å; A58-S60 PolarHBondContact O-N 3.39Å; A58-S60 VanDerWaalsContact O-N 3.15Å; A58-Y61 HydrophobicContact CB-CD2 3.89Å; A58-Y61 HydrophobicContact CB-CE2 3.98Å; A58-Y61 PolarHBondContact O-N 3.13Å; A58-F312 HydrophobicContact CB-CB 3.93Å; A58-F312 HydrophobicContact CB-CD1 3.29Å; A58-F312 HydrophobicContact CB-CD2 3.99Å; A58-F312 HydrophobicContact CB-CE1 3.63Å; A58-F312 HydrophobicContact CB-CE2 4.3Å; A58-F312 HydrophobicContact CB-CG 3.47Å; A58-F312 VanDerWaalsContact CB-CG 3.47Å; A58-F312 HydrophobicContact CB-CZ 4.13Å; A58-N315 WeakPolarHBondContact CA-OD1 3.47Å
59	A	98.8	Very high	97	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-64.8	-22.3	-172.5	0	0	0	0	0	113.4	I57 Y61 V62 K63 Q314 Y316	I57-A59 PolarHBondContact O-N 2.9Å; A59-Y61 VanDerWaalsContact C-N 3.3Å; A59-Y61 PolarHBondContact O-N 3.24Å; A59-V62 WeakPolarHBondContact O-CB 3.44Å; A59-V62 PolarHBondContact O-N 3.44Å; A59-V62 VanDerWaalsContact O-N 3.16Å; A59-K63 WeakPolarHBondContact O-CG 3.2Å; A59-K63 PolarHBondContact O-N 3.26Å; A59-Q314 HydrophobicContact CB-CB 3.64Å; A59-Q314 VanDerWaalsContact CB-O 3.28Å; A59-Q314 WeakPolarHBondContact CB-O 3.34Å; A59-Q314 PolarHBondContact N-O 3.13Å; A59-Y316 HydrophobicContact CB-CD2 4.05Å; A59-Y316 HydrophobicContact CB-CE2 3.7Å
60	S	98.8	Very high	97.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.1	-36.5	174.9	39.7	0	0	0	0	113.2	A58 V62 K63 F64 E252	A58-S60 PolarHBondContact O-N 3.39Å; A58-S60 VanDerWaalsContact O-N 3.15Å; S60-V62 VanDerWaalsContact C-N 3.33Å; S60-V62 PolarHBondContact O-N 3.12Å; S60-K63 PolarHBondContact O-N 2.53Å; S60-F64 WeakPolarHBondContact O-CB 3.26Å; S60-F64 PolarHBondContact O-N 2.94Å; S60-E252 WeakPolarHBondContact CB-OE1 3.37Å; S60-E252 PolarHBondContact OG-OE1 3.02Å
61	Y	98.9	Very high	97.6	Very high	1 Å²	1	27.7 Å²	27.7	0%	0.004	17%	0.168	C	C	.	.	H	α-helix	trans	-67.1	-34.4	175.5	-64	-72.6	0	0	0	112.7	A58 A59 L65 L95 P97 G98 T134 H245 E247 F312	A58-Y61 HydrophobicContact CB-CD2 3.89Å; A58-Y61 HydrophobicContact CB-CE2 3.98Å; A58-Y61 PolarHBondContact O-N 3.13Å; A59-Y61 VanDerWaalsContact C-N 3.3Å; A59-Y61 PolarHBondContact O-N 3.24Å; Y61-L65 WeakPolarHBondContact O-CG 3.28Å; Y61-L65 PolarHBondContact O-N 2.55Å; Y61-L95 HydrophobicContact CD1-CD2 3.75Å; Y61-L95 HydrophobicContact CE1-CD2 4.43Å; Y61-L95 HydrophobicContact CG-CD2 4.18Å; Y61-P97 HydrophobicContact CD1-CB 3.99Å; Y61-P97 HydrophobicContact CD2-CB 3.61Å; Y61-P97 HydrophobicContact CE1-CB 3.8Å; Y61-P97 HydrophobicContact CE2-CB 3.42Å; Y61-P97 VanDerWaalsContact CE2-CB 3.42Å; Y61-P97 HydrophobicContact CG-CB 3.9Å; Y61-G98 VanDerWaalsContact OH-CA 3.31Å; Y61-G98 WeakPolarHBondContact OH-CA 3.25Å; Y61-G98 PolarHBondContact OH-N 2.64Å; Y61-T134 HydrophobicContact CE1-CG2 3.96Å; Y61-H245 PolarHBondContact OH-ND1 3.47Å; Y61-E247 HydrophobicContact CD1-CB 4.27Å; Y61-E247 HydrophobicContact CD1-CG 3.84Å; Y61-E247 HydrophobicContact CE1-CB 4.46Å; Y61-E247 HydrophobicContact CE1-CG 3.7Å; Y61-E247 HydrophobicContact CG-CG 4.32Å; Y61-E247 PolarHBondContact OH-OE1 2.92Å; Y61-E247 VanDerWaalsContact OH-OE1 3.12Å; Y61-F312 HydrophobicContact CE2-CE1 4.37Å
62	V	98.9	Very high	98	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.006	15%	0.151	C	C	.	.	H	α-helix	trans	-66.5	-54	175	-179.4	0	0	0	0	109.5	I57 A59 S60 F64 L65 E66 V72 I298 Y316	I57-V62 HydrophobicContact CG2-CG2 4.15Å; A59-V62 WeakPolarHBondContact O-CB 3.44Å; A59-V62 PolarHBondContact O-N 3.44Å; A59-V62 VanDerWaalsContact O-N 3.16Å; S60-V62 VanDerWaalsContact C-N 3.33Å; S60-V62 PolarHBondContact O-N 3.12Å; V62-F64 PolarHBondContact O-N 3.22Å; V62-L65 PolarHBondContact O-N 3.03Å; V62-L65 VanDerWaalsContact O-N 3.16Å; V62-E66 HydrophobicContact CG1-CG 4.33Å; V62-E66 WeakPolarHBondContact O-CG 3.32Å; V62-E66 PolarHBondContact O-N 3.08Å; V62-V72 HydrophobicContact CG1-CB 4.2Å; V62-V72 HydrophobicContact CG1-CG1 4.46Å; V62-V72 HydrophobicContact CG1-CG2 4.16Å; V62-V72 HydrophobicContact CG2-CG1 4.28Å; V62-I298 HydrophobicContact CG1-CG1 4.03Å; V62-I298 HydrophobicContact CG1-CG2 3.93Å; V62-I298 HydrophobicContact CG2-CD1 4.45Å; V62-I298 HydrophobicContact CG2-CG1 4.11Å; V62-Y316 HydrophobicContact CB-CE2 4.27Å; V62-Y316 HydrophobicContact CG2-CD2 4.09Å; V62-Y316 HydrophobicContact CG2-CE2 3.85Å
63	K	98.9	Very high	98.3	Very high	60 Å²	60	18.2 Å²	18.2	26%	0.261	12%	0.124	S	C	.	.	H	α-helix	trans	-57.5	-38.1	179	-66	170.1	-174.1	176.3	0	112.2	A59 S60 E66 S67 F251	A59-K63 WeakPolarHBondContact O-CG 3.2Å; A59-K63 PolarHBondContact O-N 3.26Å; S60-K63 PolarHBondContact O-N 2.53Å; K63-E66 PolarHBondContact O-N 3.01Å; K63-S67 VanDerWaalsContact O-CB 3.24Å; K63-S67 WeakPolarHBondContact O-CB 3.43Å; K63-S67 PolarHBondContact O-N 3.08Å; K63-S67 PolarHBondContact O-OG 3.15Å; K63-F251 HydrophobicContact CB-CD1 3.85Å; K63-F251 HydrophobicContact CB-CD2 3.7Å; K63-F251 HydrophobicContact CB-CE1 3.78Å; K63-F251 HydrophobicContact CB-CE2 3.68Å; K63-F251 HydrophobicContact CB-CG 3.84Å; K63-F251 HydrophobicContact CB-CZ 3.71Å; K63-F251 HydrophobicContact CD-CB 4.18Å; K63-F251 HydrophobicContact CD-CD1 3.78Å; K63-F251 HydrophobicContact CD-CE1 4.38Å; K63-F251 HydrophobicContact CD-CG 3.93Å; K63-F251 HydrophobicContact CG-CD1 4.4Å
64	F	98.9	Very high	98.5	Very high	1 Å²	1	17.1 Å²	17.1	0%	0.004	11%	0.109	C	C	.	.	H	α-helix	trans	-57.8	-49.9	176.2	171.7	-106.8	0	0	0	112.4	S60 V62 S67 L95 P246 E247 F251 S269 T272 G273	S60-F64 WeakPolarHBondContact O-CB 3.26Å; S60-F64 PolarHBondContact O-N 2.94Å; V62-F64 PolarHBondContact O-N 3.22Å; F64-S67 PolarHBondContact O-OG 3.11Å; F64-L95 HydrophobicContact CD1-CD1 4.17Å; F64-L95 HydrophobicContact CE1-CD1 4.17Å; F64-P246 HydrophobicContact CE2-CB 3.89Å; F64-P246 HydrophobicContact CE2-CG 4.09Å; F64-P246 HydrophobicContact CZ-CB 4.23Å; F64-P246 HydrophobicContact CZ-CG 4Å; F64-E247 HydrophobicContact CB-CB 3.85Å; F64-E247 HydrophobicContact CD2-CB 4.28Å; F64-E247 HydrophobicContact CG-CB 4.08Å; F64-F251 HydrophobicContact CB-CE2 4.15Å; F64-S269 WeakPolarHBondContact CE2-O 3.36Å; F64-T272 HydrophobicContact CZ-CG2 4.07Å; F64-G273 VanDerWaalsContact CZ-N 3.31Å
65	L	98.9	Very high	98.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-70.9	-41.1	179	-64.4	173.8	0	0	0	112.2	I37 V39 Y61 V62 S67 A68 G69 A70 V72 L95 F276	I37-L65 HydrophobicContact CB-CD1 4.06Å; I37-L65 HydrophobicContact CD1-CD2 4.03Å; I37-L65 HydrophobicContact CG2-CD1 3.66Å; I37-L65 HydrophobicContact CG2-CD2 4.36Å; V39-L65 HydrophobicContact CG2-CD1 3.46Å; V39-L65 VanDerWaalsContact CG2-CD1 3.46Å; Y61-L65 WeakPolarHBondContact O-CG 3.28Å; Y61-L65 PolarHBondContact O-N 2.55Å; V62-L65 PolarHBondContact O-N 3.03Å; V62-L65 VanDerWaalsContact O-N 3.16Å; L65-S67 PolarHBondContact O-N 3.07Å; L65-A68 PolarHBondContact O-N 3.4Å; L65-A68 VanDerWaalsContact O-N 3.16Å; L65-G69 PolarHBondContact O-N 2.85Å; L65-A70 PolarHBondContact O-N 2.84Å; L65-V72 HydrophobicContact CB-CG2 3.79Å; L65-V72 HydrophobicContact CD1-CG2 3.84Å; L65-V72 HydrophobicContact CG-CG2 4.46Å; L65-L95 HydrophobicContact CD1-CB 4.37Å; L65-L95 HydrophobicContact CD1-CD1 4.19Å; L65-L95 HydrophobicContact CD2-CD1 3.99Å; L65-L95 HydrophobicContact CG-CD1 4.23Å; L65-F276 HydrophobicContact CD2-CD1 3.77Å; L65-F276 HydrophobicContact CD2-CE1 4.12Å
66	E	98.9	Very high	98.7	Very high	64 Å²	64	18.5 Å²	18.5	30%	0.299	11%	0.108	S	C	.	.	H	α-helix	trans	-66	-37.7	179.5	-68.5	-169.2	143.9	0	0	112.6	V62 K63 A68 G69 A70 V72 Y299	V62-E66 HydrophobicContact CG1-CG 4.33Å; V62-E66 WeakPolarHBondContact O-CG 3.32Å; V62-E66 PolarHBondContact O-N 3.08Å; K63-E66 PolarHBondContact O-N 3.01Å; E66-A68 PolarHBondContact O-N 3.39Å; E66-A68 VanDerWaalsContact O-N 3.12Å; E66-G69 PolarHBondContact O-N 3.26Å; E66-A70 WeakPolarHBondContact CA-O 3.39Å; E66-V72 HydrophobicContact CG-CG2 4.26Å; E66-Y299 WeakPolarHBondContact OE1-CE1 3.31Å; E66-Y299 VanDerWaalsContact OE1-CZ 3.26Å; E66-Y299 PolarHBondContact OE1-OH 3.14Å
67	S	98.7	Very high	98.6	Very high	54 Å²	54	18.4 Å²	18.4	38%	0.378	11%	0.108	S	C	.	.	H	α-helix	trans	-61	-22.3	175.5	75.2	0	0	0	0	113.2	K63 F64 L65 F270	K63-S67 VanDerWaalsContact O-CB 3.24Å; K63-S67 WeakPolarHBondContact O-CB 3.43Å; K63-S67 PolarHBondContact O-N 3.08Å; K63-S67 PolarHBondContact O-OG 3.15Å; F64-S67 PolarHBondContact O-OG 3.11Å; L65-S67 PolarHBondContact O-N 3.07Å; S67-F270 WeakPolarHBondContact O-CE2 3.17Å
68	A	98.4	Very high	98.4	Very high	18 Å²	18	22.1 Å²	22.1	15%	0.149	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.9	2.4	178.1	0	0	0	0	0	113.6	L65 E66 G273 V277	L65-A68 PolarHBondContact O-N 3.4Å; L65-A68 VanDerWaalsContact O-N 3.16Å; E66-A68 PolarHBondContact O-N 3.39Å; E66-A68 VanDerWaalsContact O-N 3.12Å; A68-G273 VanDerWaalsContact CB-C 3.41Å; A68-V277 HydrophobicContact CB-CB 4.2Å; A68-V277 HydrophobicContact CB-CG2 3.55Å
69	G	98.4	Very high	98.3	Very high	56 Å²	56	25.4 Å²	25.4	58%	0.577	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	93.2	18.2	174.2	0	0	0	0	0	115.8	L65 E66	L65-G69 PolarHBondContact O-N 2.85Å; E66-G69 PolarHBondContact O-N 3.26Å
70	A	98.8	Very high	98.2	Very high	5 Å²	5	28.5 Å²	28.5	4%	0.041	16%	0.159	C	C	.	.			trans	-101.4	154.2	170.5	0	0	0	0	0	112.1	P35 I37 L65 E66 V277	P35-A70 HydrophobicContact CG-CB 4.16Å; I37-A70 HydrophobicContact CD1-CB 3.8Å; I37-A70 HydrophobicContact CG1-CB 4.22Å; L65-A70 PolarHBondContact O-N 2.84Å; E66-A70 WeakPolarHBondContact CA-O 3.39Å; A70-V277 HydrophobicContact CB-CB 4.48Å; A70-V277 HydrophobicContact CB-CG1 4.04Å; A70-V277 HydrophobicContact CB-CG2 3.64Å
71	R	98.8	Very high	98.2	Very high	35 Å²	35	33.5 Å²	33.5	13%	0.132	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	157.5	164	-66.1	171.2	-67.2	162.6	6.8	109.3	R34 P35 I36 I37 E293 L297 Y299	R34-R71 PolarHBondContact O-NH2 3.18Å; P35-R71 PolarHBondContact O-N 3.38Å; I36-R71 CarbonylContact C-O 3.05Å; I36-R71 WeakPolarHBondContact CA-O 3.5Å; I36-R71 HydrophobicContact CG1-CB 4.2Å; I37-R71 PolarHBondContact N-O 2.7Å; R71-E293 IonicContact CZ-OE1 2.64Å; R71-E293 VanDerWaalsContact CZ-OE1 3.28Å; R71-E293 IonicContact NH1-OE1 2.62Å; R71-E293 PolarHBondContact NH1-OE1 3.06Å; R71-E293 IonicContact NH2-OE1 3.33Å; R71-E293 PolarHBondContact NH2-OE1 2.83Å; R71-E293 VanDerWaalsContact NH2-OE1 3.13Å; R71-L297 HydrophobicContact CB-CD2 4.03Å; R71-Y299 HydrophobicContact CG-CE2 4.36Å
72	V	98.9	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	136.6	-176	176.5	0	0	0	0	111.6	I37 V39 V62 L65 E66 I298	I37-V72 WeakPolarHBondContact O-CA 3.43Å; V39-V72 HydrophobicContact CB-CG1 4.19Å; V39-V72 HydrophobicContact CG2-CG1 3.63Å; V62-V72 HydrophobicContact CG1-CB 4.2Å; V62-V72 HydrophobicContact CG1-CG1 4.46Å; V62-V72 HydrophobicContact CG1-CG2 4.16Å; V62-V72 HydrophobicContact CG2-CG1 4.28Å; L65-V72 HydrophobicContact CB-CG2 3.79Å; L65-V72 HydrophobicContact CD1-CG2 3.84Å; L65-V72 HydrophobicContact CG-CG2 4.46Å; E66-V72 HydrophobicContact CG-CG2 4.26Å; V72-I298 HydrophobicContact CB-CB 4.26Å; V72-I298 HydrophobicContact CB-CG2 3.97Å; V72-I298 HydrophobicContact CG1-CB 4.32Å; V72-I298 WeakPolarHBondContact O-CB 3.38Å; V72-I298 PolarHBondContact O-N 2.89Å
73	A	98.9	Very high	98.1	Very high	4 Å²	4	43 Å²	43	3%	0.033	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	123.6	166.3	0	0	0	0	0	109.6	I36 I37 G38 V39 I75 I91	I36-A73 HydrophobicContact CG2-CB 3.87Å; I37-A73 PolarHBondContact O-N 2.76Å; G38-A73 CarbonylContact C-O 3.53Å; G38-A73 VanDerWaalsContact CA-O 3.27Å; G38-A73 WeakPolarHBondContact CA-O 3.39Å; V39-A73 PolarHBondContact N-O 3.01Å; A73-I75 HydrophobicContact CB-CD1 4.34Å; A73-I75 PolarHBondContact O-N 3.19Å; A73-I91 HydrophobicContact CB-CG2 4.24Å
74	P	98.8	Very high	98.1	Very high	16 Å²	16	40.1 Å²	40.1	10%	0.104	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	126.4	173.5	28.5	-32.6	0	0	0	110.8	I57 A296 I298 F301 F318	I57-P74 HydrophobicContact CD1-CB 3.63Å; P74-A296 WeakPolarHBondContact CD-O 3.38Å; P74-I298 HydrophobicContact CB-CD1 4.05Å; P74-I298 HydrophobicContact CG-CD1 3.94Å; P74-F301 HydrophobicContact CG-CD2 4Å; P74-F301 HydrophobicContact CG-CE2 3.63Å; P74-F301 HydrophobicContact CG-CZ 4.12Å; P74-F318 HydrophobicContact CB-CD1 4.37Å; P74-F318 HydrophobicContact CB-CE1 3.53Å; P74-F318 HydrophobicContact CB-CE2 4.23Å; P74-F318 HydrophobicContact CB-CZ 3.44Å; P74-F318 VanDerWaalsContact CB-CZ 3.44Å; P74-F318 HydrophobicContact CG-CE1 3.72Å; P74-F318 HydrophobicContact CG-CZ 4.09Å
75	I	98.7	Very high	98.1	Very high	2 Å²	2	43 Å²	43	1%	0.01	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	105.6	176.8	-46.1	-45.4	0	0	0	108.7	V39 L40 A41 A73 Y84 I87 I91 L94 F115	V39-I75 PolarHBondContact O-N 3.26Å; L40-I75 HydrophobicContact CD1-CB 3.97Å; L40-I75 HydrophobicContact CD1-CG2 3.77Å; A41-I75 WeakPolarHBondContact CB-O 3.18Å; A41-I75 PolarHBondContact N-O 2.84Å; A73-I75 HydrophobicContact CB-CD1 4.34Å; A73-I75 PolarHBondContact O-N 3.19Å; I75-Y84 HydrophobicContact CG2-CD1 4.15Å; I75-Y84 HydrophobicContact CG2-CE1 3.86Å; I75-I87 HydrophobicContact CD1-CG2 3.48Å; I75-I87 VanDerWaalsContact CD1-CG2 3.48Å; I75-I87 HydrophobicContact CG1-CG2 4.45Å; I75-I91 HydrophobicContact CD1-CD1 4.31Å; I75-L94 HydrophobicContact CG1-CD1 4.15Å; I75-F115 HydrophobicContact CG2-CE2 3.7Å; I75-F115 HydrophobicContact CG2-CZ 3.8Å
76	R	98	Very high	98.1	Very high	66 Å²	66	48.5 Å²	48.5	25%	0.249	25%	0.253	C	S	.	.			trans	-73.3	149	-179.8	-68.1	166.1	68.3	165.1	0.7	111.1	R79 Y84 F318 D319	R76-R79 HydrophobicContact CB-CG 4.39Å; R76-Y84 VanDerWaalsContact O-CE1 3.28Å; R76-Y84 WeakPolarHBondContact O-CE1 3.31Å; R76-Y84 PolarHBondContact O-OH 2.73Å; R76-F318 HydrophobicContact CG-CB 3.89Å; R76-F318 HydrophobicContact CG-CD1 4.47Å; R76-F318 HydrophobicContact CG-CG 4.22Å; R76-D319 PolarHBondContact NE-O 2.91Å; R76-D319 PolarHBondContact NH2-O 3.44Å
77	I	96.1	Very high	98.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	25%	0.249	C	C	.	.	S	Bend	trans	-85.5	-17.7	-171.5	56.9	-177.4	0	0	0	115.6	L40 A41 E43 R79 Y84 Q107	L40-I77 HydrophobicContact CD1-CG2 4.34Å; A41-I77 HydrophobicContact CB-CG2 4.4Å; A41-I77 WeakPolarHBondContact O-CG2 3.48Å; E43-I77 HydrophobicContact CB-CD1 4.4Å; E43-I77 HydrophobicContact CG-CD1 3.71Å; I77-R79 PolarHBondContact O-N 2.65Å; I77-Y84 VanDerWaalsContact CA-OH 3.23Å; I77-Y84 WeakPolarHBondContact CA-OH 3.28Å; I77-Y84 PolarHBondContact O-OH 3.07Å; I77-Q107 HydrophobicContact CB-CB 3.73Å; I77-Q107 HydrophobicContact CD1-CB 4.02Å; I77-Q107 HydrophobicContact CG1-CB 4.03Å
78	N	93.3	Very high	98.1	Very high	79 Å²	79	45.2 Å²	45.2	42%	0.422	23%	0.233	S	C	.	.	S	Bend	trans	-104.1	56.1	-177.4	-69.9	-29	0	0	0	112.4	S54 Q107	S54-N78 PolarHBondContact OG-ND2 3.02Å; N78-Q107 PolarHBondContact OD1-NE2 3.06Å
79	R	96.6	Very high	98.1	Very high	70 Å²	70	48.3 Å²	48.3	26%	0.264	25%	0.247	S	C	.	.			trans	-116.9	155.4	178.3	-59.2	-69.4	172	179.8	-6	112.6	R76 I77 E83 Y84 R110	R76-R79 HydrophobicContact CB-CG 4.39Å; I77-R79 PolarHBondContact O-N 2.65Å; R79-E83 VanDerWaalsContact CA-OE2 3.28Å; R79-E83 WeakPolarHBondContact CA-OE2 3.31Å; R79-E83 HydrophobicContact CB-CB 4.01Å; R79-E83 WeakPolarHBondContact CB-OE2 3.33Å; R79-E83 VanDerWaalsContact CD-CD 3.49Å; R79-E83 WeakPolarHBondContact CD-OE1 3.36Å; R79-E83 WeakPolarHBondContact CD-OE2 3.25Å; R79-E83 IonicContact CZ-OE1 3.85Å; R79-E83 IonicContact NH1-OE1 2.89Å; R79-E83 PolarHBondContact NH1-OE1 3.09Å; R79-Y84 HydrophobicContact CB-CD1 4.1Å; R79-Y84 HydrophobicContact CB-CD2 4.34Å; R79-Y84 HydrophobicContact CB-CE1 3.69Å; R79-Y84 HydrophobicContact CB-CE2 3.96Å; R79-Y84 HydrophobicContact CB-CG 4.42Å; R79-Y84 HydrophobicContact CG-CE1 4.1Å; R79-Y84 WeakPolarHBondContact O-CE2 3.37Å; R79-R110 PolarHBondContact O-NH1 3.21Å; R79-R110 PolarHBondContact O-NH2 3.47Å
80	T	98.1	Very high	98.2	Very high	66 Å²	66	46.1 Å²	46.1	41%	0.405	22%	0.222	S	C	.	.			trans	-70.5	164.3	172.5	84.3	0	0	0	0	110.6	E82 E83 Y84	T80-E82 VanDerWaalsContact C-N 3.28Å; T80-E82 WeakPolarHBondContact CB-OE2 3.45Å; T80-E82 PolarHBondContact O-N 2.92Å; T80-E82 PolarHBondContact OG1-N 3.46Å; T80-E82 PolarHBondContact OG1-OE2 2.85Å; T80-E83 PolarHBondContact N-OE2 3.42Å; T80-E83 PolarHBondContact O-N 2.83Å; T80-E83 PolarHBondContact OG1-N 3.03Å; T80-Y84 VanDerWaalsContact O-CD2 3.23Å; T80-Y84 WeakPolarHBondContact O-CD2 3.19Å; T80-Y84 PolarHBondContact O-N 3.3Å; T80-Y84 VanDerWaalsContact O-N 3.14Å
81	E	98.1	Very high	98.2	Very high	105 Å²	105	45.9 Å²	45.9	49%	0.491	22%	0.22	S	C	.	.	H	α-helix	trans	-65.5	-36.1	178	-171.7	166	166.2	0	0	111.3	Y84 I85 I114	E81-Y84 PolarHBondContact O-N 3.08Å; E81-I85 HydrophobicContact CG-CD1 4.11Å; E81-I85 VanDerWaalsContact O-CG1 3.28Å; E81-I85 WeakPolarHBondContact O-CG1 3.2Å; E81-I85 PolarHBondContact O-N 2.97Å; E81-I114 HydrophobicContact CG-CD1 4.49Å; E81-I114 HydrophobicContact CG-CG2 4.27Å
82	E	98.5	Very high	98.2	Very high	132 Å²	132	44.3 Å²	44.3	62%	0.617	22%	0.215	S	C	*	.	H	α-helix	trans	-63.5	-42.4	176.7	-57.3	73.4	-158.5	0	0	111.7	T80 Y84 I85 K86	T80-E82 VanDerWaalsContact C-N 3.28Å; T80-E82 WeakPolarHBondContact CB-OE2 3.45Å; T80-E82 PolarHBondContact O-N 2.92Å; T80-E82 PolarHBondContact OG1-N 3.46Å; T80-E82 PolarHBondContact OG1-OE2 2.85Å; E82-Y84 VanDerWaalsContact C-N 3.35Å; E82-I85 PolarHBondContact O-N 3.31Å; E82-K86 PolarHBondContact O-N 3.33Å
83	E	98.4	Very high	98.2	Very high	68 Å²	68	44.3 Å²	44.3	32%	0.318	22%	0.215	S	C	.	.	H	α-helix	trans	-61.7	-43.4	174.1	-72.8	179.6	113.8	0	0	111.1	R79 T80 K86 I87	R79-E83 VanDerWaalsContact CA-OE2 3.28Å; R79-E83 WeakPolarHBondContact CA-OE2 3.31Å; R79-E83 HydrophobicContact CB-CB 4.01Å; R79-E83 WeakPolarHBondContact CB-OE2 3.33Å; R79-E83 VanDerWaalsContact CD-CD 3.49Å; R79-E83 WeakPolarHBondContact CD-OE1 3.36Å; R79-E83 WeakPolarHBondContact CD-OE2 3.25Å; R79-E83 IonicContact CZ-OE1 3.85Å; R79-E83 IonicContact NH1-OE1 2.89Å; R79-E83 PolarHBondContact NH1-OE1 3.09Å; T80-E83 PolarHBondContact N-OE2 3.42Å; T80-E83 PolarHBondContact O-N 2.83Å; T80-E83 PolarHBondContact OG1-N 3.03Å; E83-K86 PolarHBondContact O-N 2.87Å; E83-I87 WeakPolarHBondContact O-CG1 3.33Å; E83-I87 PolarHBondContact O-N 3.03Å
84	Y	98.8	Very high	98.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.5	-37.8	176.2	-72	-46.9	0	0	0	113.1	I75 R76 I77 R79 T80 E81 E82 K86 I87 F88 A111 I114 F115	I75-Y84 HydrophobicContact CG2-CD1 4.15Å; I75-Y84 HydrophobicContact CG2-CE1 3.86Å; R76-Y84 VanDerWaalsContact O-CE1 3.28Å; R76-Y84 WeakPolarHBondContact O-CE1 3.31Å; R76-Y84 PolarHBondContact O-OH 2.73Å; I77-Y84 VanDerWaalsContact CA-OH 3.23Å; I77-Y84 WeakPolarHBondContact CA-OH 3.28Å; I77-Y84 PolarHBondContact O-OH 3.07Å; R79-Y84 HydrophobicContact CB-CD1 4.1Å; R79-Y84 HydrophobicContact CB-CD2 4.34Å; R79-Y84 HydrophobicContact CB-CE1 3.69Å; R79-Y84 HydrophobicContact CB-CE2 3.96Å; R79-Y84 HydrophobicContact CB-CG 4.42Å; R79-Y84 HydrophobicContact CG-CE1 4.1Å; R79-Y84 WeakPolarHBondContact O-CE2 3.37Å; T80-Y84 VanDerWaalsContact O-CD2 3.23Å; T80-Y84 WeakPolarHBondContact O-CD2 3.19Å; T80-Y84 PolarHBondContact O-N 3.3Å; T80-Y84 VanDerWaalsContact O-N 3.14Å; E81-Y84 PolarHBondContact O-N 3.08Å; E82-Y84 VanDerWaalsContact C-N 3.35Å; Y84-K86 VanDerWaalsContact C-N 3.34Å; Y84-I87 HydrophobicContact CD1-CD1 4.41Å; Y84-I87 PolarHBondContact O-N 3.29Å; Y84-F88 VanDerWaalsContact O-CB 3.29Å; Y84-F88 WeakPolarHBondContact O-CB 3.48Å; Y84-F88 PolarHBondContact O-N 3.14Å; Y84-A111 HydrophobicContact CE1-CB 4.2Å; Y84-A111 HydrophobicContact CE2-CB 4.03Å; Y84-A111 WeakPolarHBondContact OH-CB 3.5Å; Y84-I114 HydrophobicContact CD2-CD1 3.64Å; Y84-I114 HydrophobicContact CD2-CG2 4.36Å; Y84-I114 HydrophobicContact CE2-CD1 3.98Å; Y84-F115 HydrophobicContact CD1-CD2 4.46Å; Y84-F115 AromaticContact CD1-CE2 3.44Å; Y84-F115 HydrophobicContact CD1-CE2 3.44Å; Y84-F115 VanDerWaalsContact CD1-CE2 3.44Å; Y84-F115 HydrophobicContact CD1-CZ 4.02Å; Y84-F115 HydrophobicContact CE1-CE2 4.04Å; Y84-F115 AromaticContact CG-CE2 3.94Å; Y84-F115 HydrophobicContact CG-CE2 3.94Å
85	I	98.8	Very high	98.2	Very high	63 Å²	63	43.4 Å²	43.4	32%	0.323	21%	0.208	S	C	.	.	H	α-helix	trans	-62.2	-44.3	174.3	-70.7	163.7	0	0	0	110.2	E81 E82 I87 F88 N89 L118	E81-I85 HydrophobicContact CG-CD1 4.11Å; E81-I85 VanDerWaalsContact O-CG1 3.28Å; E81-I85 WeakPolarHBondContact O-CG1 3.2Å; E81-I85 PolarHBondContact O-N 2.97Å; E82-I85 PolarHBondContact O-N 3.31Å; I85-I87 VanDerWaalsContact C-N 3.35Å; I85-I87 PolarHBondContact O-N 2.7Å; I85-F88 PolarHBondContact O-N 3.25Å; I85-N89 PolarHBondContact O-N 3.29Å; I85-N89 VanDerWaalsContact O-N 3.08Å; I85-N89 PolarHBondContact O-ND2 3.13Å; I85-N89 VanDerWaalsContact O-ND2 3.1Å; I85-L118 HydrophobicContact CG1-CD1 4.01Å; I85-L118 HydrophobicContact CG1-CD2 4Å
86	K	98.6	Very high	98.2	Very high	115 Å²	115	43.3 Å²	43.3	50%	0.5	21%	0.208	S	C	.	.	H	α-helix	trans	-59.6	-46	176	-175.5	178	178.9	178.8	0	111.5	E82 E83 Y84 S90 E292	E82-K86 PolarHBondContact O-N 3.33Å; E83-K86 PolarHBondContact O-N 2.87Å; Y84-K86 VanDerWaalsContact C-N 3.34Å; K86-S90 PolarHBondContact O-N 3.4Å; K86-S90 PolarHBondContact O-OG 2.75Å; K86-E292 IonicContact NZ-OE1 2.73Å; K86-E292 PolarHBondContact NZ-OE1 3.48Å; K86-E292 IonicContact NZ-OE2 3.58Å
87	I	98.8	Very high	98.2	Very high	43 Å²	43	40.2 Å²	40.2	22%	0.221	20%	0.196	C	C	.	.	H	α-helix	trans	-61.4	-49.1	176.7	-70.5	166.9	0	0	0	110.7	I75 E83 Y84 I85 N89 S90 I91 F115	I75-I87 HydrophobicContact CD1-CG2 3.48Å; I75-I87 VanDerWaalsContact CD1-CG2 3.48Å; I75-I87 HydrophobicContact CG1-CG2 4.45Å; E83-I87 WeakPolarHBondContact O-CG1 3.33Å; E83-I87 PolarHBondContact O-N 3.03Å; Y84-I87 HydrophobicContact CD1-CD1 4.41Å; Y84-I87 PolarHBondContact O-N 3.29Å; I85-I87 VanDerWaalsContact C-N 3.35Å; I85-I87 PolarHBondContact O-N 2.7Å; I87-N89 VanDerWaalsContact C-N 3.3Å; I87-N89 PolarHBondContact O-N 3.04Å; I87-S90 WeakPolarHBondContact O-CA 3.48Å; I87-S90 WeakPolarHBondContact O-CB 3.25Å; I87-S90 PolarHBondContact O-N 3.48Å; I87-I91 HydrophobicContact CG2-CD1 4.07Å; I87-I91 HydrophobicContact CG2-CG2 4.35Å; I87-I91 WeakPolarHBondContact O-CG1 3.21Å; I87-I91 PolarHBondContact O-N 2.89Å; I87-I91 VanDerWaalsContact O-N 3.08Å; I87-F115 HydrophobicContact CB-CZ 4.34Å; I87-F115 HydrophobicContact CG2-CE1 4.21Å; I87-F115 HydrophobicContact CG2-CZ 3.81Å
88	F	98.9	Very high	98.3	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-53.6	-47.4	-179.4	175	-93.5	0	0	0	111.7	Y84 I85 S90 F115 L118 A119 A122 F129 H285	Y84-F88 VanDerWaalsContact O-CB 3.29Å; Y84-F88 WeakPolarHBondContact O-CB 3.48Å; Y84-F88 PolarHBondContact O-N 3.14Å; I85-F88 PolarHBondContact O-N 3.25Å; F88-S90 PolarHBondContact O-N 3.38Å; F88-F115 HydrophobicContact CB-CD1 4.33Å; F88-F115 HydrophobicContact CB-CE1 3.95Å; F88-F115 AromaticContact CD2-CD1 3.85Å; F88-F115 HydrophobicContact CD2-CD1 3.85Å; F88-F115 HydrophobicContact CD2-CE1 4.24Å; F88-L118 HydrophobicContact CB-CD1 3.77Å; F88-L118 HydrophobicContact CD1-CB 4.03Å; F88-L118 HydrophobicContact CD1-CD1 4.32Å; F88-L118 HydrophobicContact CD2-CB 3.71Å; F88-L118 HydrophobicContact CD2-CD1 4.18Å; F88-L118 HydrophobicContact CE1-CB 4.03Å; F88-L118 HydrophobicContact CE2-CB 3.69Å; F88-L118 HydrophobicContact CG-CB 3.89Å; F88-L118 HydrophobicContact CG-CD1 3.83Å; F88-L118 HydrophobicContact CG-CG 4.43Å; F88-L118 HydrophobicContact CZ-CB 3.87Å; F88-A119 HydrophobicContact CE2-CB 4.1Å; F88-A122 HydrophobicContact CE1-CB 3.98Å; F88-A122 HydrophobicContact CZ-CB 3.69Å; F88-F129 HydrophobicContact CD2-CD1 4.42Å; F88-F129 HydrophobicContact CD2-CD2 4.12Å; F88-F129 HydrophobicContact CD2-CE1 4.08Å; F88-F129 AromaticContact CD2-CE2 3.73Å; F88-F129 HydrophobicContact CD2-CE2 3.73Å; F88-F129 HydrophobicContact CD2-CG 4.43Å; F88-F129 AromaticContact CD2-CZ 3.72Å; F88-F129 HydrophobicContact CD2-CZ 3.72Å; F88-F129 HydrophobicContact CE2-CB 4.26Å; F88-F129 AromaticContact CE2-CD1 3.59Å; F88-F129 HydrophobicContact CE2-CD1 3.59Å; F88-F129 AromaticContact CE2-CD2 3.53Å; F88-F129 HydrophobicContact CE2-CD2 3.53Å; F88-F129 AromaticContact CE2-CE1 3.69Å; F88-F129 HydrophobicContact CE2-CE1 3.69Å; F88-F129 AromaticContact CE2-CE2 3.61Å; F88-F129 HydrophobicContact CE2-CE2 3.61Å; F88-F129 AromaticContact CE2-CG 3.5Å; F88-F129 HydrophobicContact CE2-CG 3.5Å; F88-F129 AromaticContact CE2-CZ 3.7Å; F88-F129 HydrophobicContact CE2-CZ 3.7Å; F88-F129 HydrophobicContact CG-CE2 4.44Å; F88-F129 HydrophobicContact CZ-CB 4.07Å; F88-F129 HydrophobicContact CZ-CD1 4.27Å; F88-F129 AromaticContact CZ-CD2 3.75Å; F88-F129 HydrophobicContact CZ-CD2 3.75Å; F88-F129 HydrophobicContact CZ-CE2 4.21Å; F88-F129 AromaticContact CZ-CG 3.76Å; F88-F129 HydrophobicContact CZ-CG 3.76Å; F88-H285 AromaticContact CD1-CE1 3.99Å; F88-H285 AromaticContact CE1-CE1 3.63Å; F88-H285 PolarHBondContact O-CE1 2.83Å; F88-H285 PolarHBondContact O-ND1 2.83Å
89	N	98.7	Very high	98.4	Very high	82 Å²	82	37.5 Å²	37.5	44%	0.439	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-12.2	178.8	-66.5	-33.9	0	0	0	113.8	I85 I87 H285	I85-N89 PolarHBondContact O-N 3.29Å; I85-N89 VanDerWaalsContact O-N 3.08Å; I85-N89 PolarHBondContact O-ND2 3.13Å; I85-N89 VanDerWaalsContact O-ND2 3.1Å; I87-N89 VanDerWaalsContact C-N 3.3Å; I87-N89 PolarHBondContact O-N 3.04Å; N89-H285 WeakPolarHBondContact O-CB 3.18Å
90	S	98.8	Very high	98.3	Very high	10 Å²	10	40.6 Å²	40.6	7%	0.07	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	-30.3	-177.3	-56.1	0	0	0	0	113.4	K86 I87 F88 R286	K86-S90 PolarHBondContact O-N 3.4Å; K86-S90 PolarHBondContact O-OG 2.75Å; I87-S90 WeakPolarHBondContact O-CA 3.48Å; I87-S90 WeakPolarHBondContact O-CB 3.25Å; I87-S90 PolarHBondContact O-N 3.48Å; F88-S90 PolarHBondContact O-N 3.38Å; S90-R286 CarbonylContact O-C 3.58Å; S90-R286 WeakPolarHBondContact O-CA 3.43Å
91	I	98.8	Very high	98.3	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.			trans	-98.5	158.9	-177.5	68.7	179.7	0	0	0	111.9	I36 A73 I75 I87 G93 F115 F129 H285 F287	I36-I91 HydrophobicContact CG2-CG2 4.26Å; A73-I91 HydrophobicContact CB-CG2 4.24Å; I75-I91 HydrophobicContact CD1-CD1 4.31Å; I87-I91 HydrophobicContact CG2-CD1 4.07Å; I87-I91 HydrophobicContact CG2-CG2 4.35Å; I87-I91 WeakPolarHBondContact O-CG1 3.21Å; I87-I91 PolarHBondContact O-N 2.89Å; I87-I91 VanDerWaalsContact O-N 3.08Å; I91-G93 WeakPolarHBondContact CD1-O 3.44Å; I91-F115 HydrophobicContact CD1-CE1 3.96Å; I91-F129 HydrophobicContact CD1-CZ 4.15Å; I91-F129 HydrophobicContact CG1-CE2 3.94Å; I91-F129 HydrophobicContact CG1-CZ 3.98Å; I91-F129 WeakPolarHBondContact O-CE2 3.2Å; I91-H285 WeakPolarHBondContact O-CB 3.23Å; I91-H285 PolarHBondContact O-ND1 2.87Å; I91-F287 HydrophobicContact CG2-CE2 4.33Å; I91-F287 HydrophobicContact CG2-CZ 4.22Å
92	N	98.9	Very high	98.3	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.011	20%	0.195	C	C	.	.	S	Bend	trans	-99.4	-1.5	-172.5	-57.4	103.7	0	0	0	114.4	N32 P35 I36 P130 A280 S283 H285	N32-N92 PolarHBondContact ND2-ND2 3.07Å; N32-N92 PolarHBondContact ND2-OD1 3.21Å; P35-N92 HydrophobicContact CB-CB 4.22Å; I36-N92 PolarHBondContact N-OD1 2.69Å; I36-N92 PolarHBondContact O-N 3.46Å; N92-P130 WeakPolarHBondContact O-CD 3.42Å; N92-A280 HydrophobicContact CB-CB 4.15Å; N92-S283 PolarHBondContact ND2-O 2.73Å; N92-S283 WeakPolarHBondContact O-CB 2.87Å; N92-H285 PolarHBondContact ND2-O 3.02Å
93	G	98.9	Very high	98.2	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.5	169.5	179.6	0	0	0	0	0	111.4	G38 I91 P130	G38-G93 PolarHBondContact N-O 3.11Å; I91-G93 WeakPolarHBondContact CD1-O 3.44Å; G93-P130 WeakPolarHBondContact CA-O 3.44Å
94	L	98.9	Very high	98.1	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132	-180	-176.9	77.6	0	0	0	111.9	G38 I75 L96 F115 F129 P130 I131 W132 F276	G38-L94 CarbonylContact O-C 3.58Å; G38-L94 WeakPolarHBondContact O-CA 3.43Å; I75-L94 HydrophobicContact CG1-CD1 4.15Å; L94-L96 HydrophobicContact CD2-CD2 3.64Å; L94-L96 HydrophobicContact CD2-CG 4.2Å; L94-L96 HydrophobicContact CG-CD2 4.2Å; L94-F115 HydrophobicContact CD1-CD1 4.14Å; L94-F115 HydrophobicContact CD1-CE1 4.33Å; L94-F115 HydrophobicContact CD1-CG 4.38Å; L94-F115 HydrophobicContact CD2-CB 3.47Å; L94-F115 VanDerWaalsContact CD2-CB 3.47Å; L94-F115 HydrophobicContact CD2-CD1 3.98Å; L94-F115 HydrophobicContact CD2-CD2 4.43Å; L94-F115 HydrophobicContact CD2-CG 3.72Å; L94-F129 HydrophobicContact CB-CE1 3.86Å; L94-F129 HydrophobicContact CB-CZ 4.19Å; L94-P130 PolarHBondContact N-O 3.25Å; L94-I131 HydrophobicContact CB-CG1 4.39Å; L94-I131 CarbonylContact O-C 3.45Å; L94-I131 WeakPolarHBondContact O-CA 3.19Å; L94-W132 PolarHBondContact O-N 3.47Å; L94-F276 WeakPolarHBondContact O-CZ 3.44Å
95	L	98.9	Very high	98	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.8	165.8	-173	148	0	0	0	110.1	I37 G38 V39 L40 Y61 F64 L65 P97 W132 F276	I37-L95 HydrophobicContact CG2-CB 4.41Å; G38-L95 PolarHBondContact O-N 2.99Å; V39-L95 HydrophobicContact CG1-CD2 4.09Å; V39-L95 HydrophobicContact CG2-CB 4.3Å; L40-L95 PolarHBondContact N-O 2.95Å; Y61-L95 HydrophobicContact CD1-CD2 3.75Å; Y61-L95 HydrophobicContact CE1-CD2 4.43Å; Y61-L95 HydrophobicContact CG-CD2 4.18Å; F64-L95 HydrophobicContact CD1-CD1 4.17Å; F64-L95 HydrophobicContact CE1-CD1 4.17Å; L65-L95 HydrophobicContact CD1-CB 4.37Å; L65-L95 HydrophobicContact CD1-CD1 4.19Å; L65-L95 HydrophobicContact CD2-CD1 3.99Å; L65-L95 HydrophobicContact CG-CD1 4.23Å; L95-P97 HydrophobicContact CD2-CB 4.01Å; L95-P97 WeakPolarHBondContact O-CD 3.22Å; L95-W132 CarbonylContact C-O 3.23Å; L95-W132 WeakPolarHBondContact CA-O 3.4Å; L95-W132 HydrophobicContact CD1-CG 4.38Å; L95-W132 HydrophobicContact CG-CB 4.39Å; L95-W132 HydrophobicContact CG-CG 4.5Å; L95-F276 HydrophobicContact CB-CE1 4.17Å
96	L	98.9	Very high	98	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	104.8	167.7	-58.2	179.4	0	0	0	107.9	L40 L94 F108 A112 I131 W132 T134 L141	L40-L96 HydrophobicContact CB-CD2 4.03Å; L40-L96 HydrophobicContact CD2-CD2 3.54Å; L40-L96 HydrophobicContact CG-CD2 4.44Å; L94-L96 HydrophobicContact CD2-CD2 3.64Å; L94-L96 HydrophobicContact CD2-CG 4.2Å; L94-L96 HydrophobicContact CG-CD2 4.2Å; L96-F108 HydrophobicContact CB-CZ 4.13Å; L96-F108 HydrophobicContact CD2-CZ 4.36Å; L96-A112 HydrophobicContact CD1-CB 4.19Å; L96-A112 HydrophobicContact CD2-CB 3.85Å; L96-I131 HydrophobicContact CD1-CG2 4.24Å; L96-I131 HydrophobicContact CG-CG2 4.32Å; L96-W132 PolarHBondContact N-O 3Å; L96-T134 PolarHBondContact O-N 3.35Å; L96-L141 HydrophobicContact CD1-CD2 4.02Å; L96-L141 HydrophobicContact CD1-CG 4.09Å
97	P	98.9	Very high	98	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.			trans	-69.6	170.8	-178.4	29.3	-36.8	0	0	0	112.3	V39 L40 Y61 L95 F108 T134 G137	V39-P97 HydrophobicContact CG1-CG 4.41Å; L40-P97 VanDerWaalsContact O-CD 3.25Å; L40-P97 WeakPolarHBondContact O-CD 3.3Å; L40-P97 WeakPolarHBondContact O-CG 3.34Å; Y61-P97 HydrophobicContact CD1-CB 3.99Å; Y61-P97 HydrophobicContact CD2-CB 3.61Å; Y61-P97 HydrophobicContact CE1-CB 3.8Å; Y61-P97 HydrophobicContact CE2-CB 3.42Å; Y61-P97 VanDerWaalsContact CE2-CB 3.42Å; Y61-P97 HydrophobicContact CG-CB 3.9Å; L95-P97 HydrophobicContact CD2-CB 4.01Å; L95-P97 WeakPolarHBondContact O-CD 3.22Å; P97-F108 HydrophobicContact CG-CE2 4.21Å; P97-T134 CarbonylContact C-O 3.58Å; P97-T134 VanDerWaalsContact C-O 3.23Å; P97-G137 PolarHBondContact O-N 3.03Å; P97-G137 VanDerWaalsContact O-N 3.12Å
98	G	98.4	Very high	98	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.18	C	C	.	.			trans	-71.4	165.5	163.6	0	0	0	0	0	111.9	Q42 Y61 T134	Q42-G98 PolarHBondContact NE2-O 2.64Å; Y61-G98 VanDerWaalsContact OH-CA 3.31Å; Y61-G98 WeakPolarHBondContact OH-CA 3.25Å; Y61-G98 PolarHBondContact OH-N 2.64Å; G98-T134 WeakPolarHBondContact CA-O 3.29Å; G98-T134 PolarHBondContact N-O 2.93Å
99	G	95.8	Very high	98	Very high	23 Å²	23	32.4 Å²	32.4	24%	0.237	18%	0.179	C	C	.	.			trans	174.6	-170.1	-170.7	0	0	0	0	0	112.3	Q136	G99-Q136 PolarHBondContact O-OE1 3.36Å
100	D	94.4	Very high	98	Very high	135 Å²	135	31.9 Å²	31.9	72%	0.722	17%	0.171	S	C	*	.			trans	-140.5	26.3	177.9	-158.1	33.9	0	0	0	113
101	V	97.1	Very high	98	Very high	25 Å²	25	31.4 Å²	31.4	15%	0.152	17%	0.168	C	C	.	.	S	Bend	trans	-82.2	162.1	178.2	-57.7	0	0	0	0	111.3	Q42 E43 I103 F108 Q136	Q42-V101 HydrophobicContact CB-CG1 4.15Å; Q42-V101 HydrophobicContact CB-CG2 4.46Å; Q42-V101 HydrophobicContact CG-CG1 4.47Å; E43-V101 HydrophobicContact CB-CG1 3.93Å; V101-I103 PolarHBondContact O-N 2.99Å; V101-F108 HydrophobicContact CG2-CB 3.67Å; V101-F108 HydrophobicContact CG2-CD1 4.15Å; V101-F108 HydrophobicContact CG2-CG 4.01Å; V101-Q136 PolarHBondContact O-NE2 3.37Å
102	D	97.6	Very high	98	Very high	84 Å²	84	31.4 Å²	31.4	45%	0.449	17%	0.168	S	C	.	.			trans	-63.1	129.4	-179.4	-178.3	-88.6	0	0	0	111.8	Q104 T105 S106 S109	D102-Q104 PolarHBondContact O-N 3.06Å; D102-Q104 VanDerWaalsContact O-N 3.16Å; D102-Q104 WeakPolarHBondContact OD1-CA 3.41Å; D102-Q104 PolarHBondContact OD1-N 3.24Å; D102-T105 WeakPolarHBondContact CB-OG1 3.28Å; D102-T105 WeakPolarHBondContact OD1-CB 3.19Å; D102-T105 PolarHBondContact OD1-N 3.45Å; D102-T105 PolarHBondContact OD1-OG1 3.07Å; D102-S106 WeakPolarHBondContact O-CB 3.41Å; D102-S106 PolarHBondContact O-N 3Å; D102-S106 PolarHBondContact O-OG 2.66Å; D102-S109 PolarHBondContact O-OG 2.89Å
103	I	97.8	Very high	98	Very high	16 Å²	16	36.7 Å²	36.7	8%	0.082	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-6	-171.3	-155.6	69.3	0	0	0	114.7	V101 S109 Q136 Q139 Q140 V143	V101-I103 PolarHBondContact O-N 2.99Å; I103-S109 PolarHBondContact O-OG 2.91Å; I103-Q136 HydrophobicContact CD1-CG 3.91Å; I103-Q139 HydrophobicContact CD1-CB 3.95Å; I103-Q140 HydrophobicContact CD1-CB 4.18Å; I103-Q140 PolarHBondContact O-OE1 3.4Å; I103-V143 HydrophobicContact CG1-CG2 3.95Å
104	Q	95.9	Very high	98	Very high	117 Å²	117	37.4 Å²	37.4	55%	0.547	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	-37.6	-176.8	-60.4	-170.6	-109.9	0	0	113	D102	D102-Q104 PolarHBondContact O-N 3.06Å; D102-Q104 VanDerWaalsContact O-N 3.16Å; D102-Q104 WeakPolarHBondContact OD1-CA 3.41Å; D102-Q104 PolarHBondContact OD1-N 3.24Å
105	T	97.4	Very high	98	Very high	112 Å²	112	37.4 Å²	37.4	69%	0.687	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.2	-14.2	-166.5	61	0	0	0	0	114	D102	D102-T105 WeakPolarHBondContact CB-OG1 3.28Å; D102-T105 WeakPolarHBondContact OD1-CB 3.19Å; D102-T105 PolarHBondContact OD1-N 3.45Å; D102-T105 PolarHBondContact OD1-OG1 3.07Å
106	S	98.2	Very high	98	Very high	9 Å²	9	38 Å²	38	6%	0.063	19%	0.194	C	C	.	.	S	Bend	trans	-62.8	154.8	176.4	58.3	0	0	0	0	112.7	E43 D102 F108 S109 R110	E43-S106 WeakPolarHBondContact OE1-CA 3.28Å; E43-S106 VanDerWaalsContact OE1-CB 3.29Å; E43-S106 WeakPolarHBondContact OE1-CB 3.26Å; D102-S106 WeakPolarHBondContact O-CB 3.41Å; D102-S106 PolarHBondContact O-N 3Å; D102-S106 PolarHBondContact O-OG 2.66Å; S106-F108 PolarHBondContact O-N 3.15Å; S106-S109 WeakPolarHBondContact O-CB 3.44Å; S106-S109 PolarHBondContact O-N 3.24Å; S106-S109 VanDerWaalsContact O-N 3.08Å; S106-S109 WeakPolarHBondContact OG-CB 3.36Å; S106-S109 PolarHBondContact OG-N 3.43Å; S106-S109 PolarHBondContact OG-OG 2.76Å; S106-R110 PolarHBondContact O-N 3.35Å
107	Q	98	Very high	98	Very high	63 Å²	63	41.4 Å²	41.4	29%	0.294	21%	0.212	S	C	.	.	H	α-helix	trans	-65.8	-31.2	171.1	-64.4	-71.4	94.8	0	0	110.9	E43 I77 N78 R110 A111	E43-Q107 WeakPolarHBondContact OE1-CB 3.42Å; E43-Q107 PolarHBondContact OE1-N 3.44Å; I77-Q107 HydrophobicContact CB-CB 3.73Å; I77-Q107 HydrophobicContact CD1-CB 4.02Å; I77-Q107 HydrophobicContact CG1-CB 4.03Å; N78-Q107 PolarHBondContact OD1-NE2 3.06Å; Q107-R110 PolarHBondContact O-N 3.14Å; Q107-A111 WeakPolarHBondContact O-CB 3.33Å; Q107-A111 PolarHBondContact O-N 3.3Å
108	F	98.6	Very high	98	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-53.7	-52.1	164.8	178.8	-91.5	0	0	0	111.6	L40 A41 Q42 L96 P97 V101 S106 R110 A111 A112 Q136 Q140	L40-F108 HydrophobicContact CB-CD2 4.47Å; L40-F108 HydrophobicContact CB-CE2 4.13Å; L40-F108 HydrophobicContact CD2-CD2 3.61Å; L40-F108 HydrophobicContact CD2-CE2 3.68Å; L40-F108 HydrophobicContact CD2-CG 4.16Å; L40-F108 HydrophobicContact CD2-CZ 4.27Å; L40-F108 HydrophobicContact CG-CD2 3.81Å; L40-F108 HydrophobicContact CG-CE2 3.94Å; A41-F108 WeakPolarHBondContact O-CD2 3.4Å; Q42-F108 HydrophobicContact CB-CB 4.29Å; Q42-F108 HydrophobicContact CB-CD2 3.82Å; Q42-F108 HydrophobicContact CB-CG 4.35Å; L96-F108 HydrophobicContact CB-CZ 4.13Å; L96-F108 HydrophobicContact CD2-CZ 4.36Å; P97-F108 HydrophobicContact CG-CE2 4.21Å; V101-F108 HydrophobicContact CG2-CB 3.67Å; V101-F108 HydrophobicContact CG2-CD1 4.15Å; V101-F108 HydrophobicContact CG2-CG 4.01Å; S106-F108 PolarHBondContact O-N 3.15Å; F108-R110 VanDerWaalsContact C-N 3.32Å; F108-R110 PolarHBondContact O-N 3.12Å; F108-A111 PolarHBondContact O-N 3.24Å; F108-A112 VanDerWaalsContact O-CB 3.25Å; F108-A112 WeakPolarHBondContact O-CB 3.16Å; F108-A112 PolarHBondContact O-N 3.03Å; F108-Q136 HydrophobicContact CE1-CG 4.3Å; F108-Q140 HydrophobicContact CE1-CB 4.27Å; F108-Q140 HydrophobicContact CE1-CG 4.22Å
109	S	98.5	Very high	98	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-63	-38.3	179.9	-64	0	0	0	0	112.3	D102 I103 S106 R113 Q140	D102-S109 PolarHBondContact O-OG 2.89Å; I103-S109 PolarHBondContact O-OG 2.91Å; S106-S109 WeakPolarHBondContact O-CB 3.44Å; S106-S109 PolarHBondContact O-N 3.24Å; S106-S109 VanDerWaalsContact O-N 3.08Å; S106-S109 WeakPolarHBondContact OG-CB 3.36Å; S106-S109 PolarHBondContact OG-N 3.43Å; S106-S109 PolarHBondContact OG-OG 2.76Å; S109-R113 WeakPolarHBondContact O-CB 3.48Å; S109-R113 PolarHBondContact O-N 3.07Å; S109-Q140 PolarHBondContact OG-OE1 2.95Å
110	R	98.6	Very high	98.1	Very high	71 Å²	71	43.1 Å²	43.1	27%	0.268	22%	0.215	S	C	.	.	H	α-helix	trans	-61.3	-52.7	174.3	176.8	-178.2	167	-91.4	-5.8	111	R79 S106 Q107 F108 R113 I114	R79-R110 PolarHBondContact O-NH1 3.21Å; R79-R110 PolarHBondContact O-NH2 3.47Å; S106-R110 PolarHBondContact O-N 3.35Å; Q107-R110 PolarHBondContact O-N 3.14Å; F108-R110 VanDerWaalsContact C-N 3.32Å; F108-R110 PolarHBondContact O-N 3.12Å; R110-R113 WeakPolarHBondContact O-CB 3.45Å; R110-R113 PolarHBondContact O-N 2.78Å; R110-I114 HydrophobicContact CG-CD1 4.35Å; R110-I114 WeakPolarHBondContact O-CG1 3.29Å; R110-I114 PolarHBondContact O-N 2.7Å
111	A	98.8	Very high	98.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-63.8	-46.3	-179.1	0	0	0	0	0	111.5	L40 Y84 Q107 F108 R113 I114 F115	L40-A111 HydrophobicContact CD1-CB 3.68Å; L40-A111 HydrophobicContact CD2-CB 4.07Å; Y84-A111 HydrophobicContact CE1-CB 4.2Å; Y84-A111 HydrophobicContact CE2-CB 4.03Å; Y84-A111 WeakPolarHBondContact OH-CB 3.5Å; Q107-A111 WeakPolarHBondContact O-CB 3.33Å; Q107-A111 PolarHBondContact O-N 3.3Å; F108-A111 PolarHBondContact O-N 3.24Å; A111-R113 VanDerWaalsContact C-N 3.27Å; A111-R113 PolarHBondContact O-N 2.72Å; A111-I114 WeakPolarHBondContact O-CB 3.41Å; A111-I114 PolarHBondContact O-N 3.15Å; A111-F115 WeakPolarHBondContact O-CD2 3.48Å; A111-F115 PolarHBondContact O-N 2.96Å
112	A	98.9	Very high	98.4	Very high	1 Å²	1	43 Å²	43	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-56.3	-40.5	176.4	0	0	0	0	0	112.1	L40 L96 F108 Y116 Q140	L40-A112 HydrophobicContact CD2-CB 3.94Å; L96-A112 HydrophobicContact CD1-CB 4.19Å; L96-A112 HydrophobicContact CD2-CB 3.85Å; F108-A112 VanDerWaalsContact O-CB 3.25Å; F108-A112 WeakPolarHBondContact O-CB 3.16Å; F108-A112 PolarHBondContact O-N 3.03Å; A112-Y116 WeakPolarHBondContact O-CB 3.18Å; A112-Y116 PolarHBondContact O-N 3.35Å; A112-Q140 HydrophobicContact CB-CG 3.71Å
113	R	98.9	Very high	98.5	Very high	112 Å²	112	40.3 Å²	40.3	42%	0.423	19%	0.194	S	C	.	.	H	α-helix	trans	-62.7	-41.5	175	-178.5	170.1	60.2	-121.5	1.9	112.6	S109 R110 A111 N117 L144	S109-R113 WeakPolarHBondContact O-CB 3.48Å; S109-R113 PolarHBondContact O-N 3.07Å; R110-R113 WeakPolarHBondContact O-CB 3.45Å; R110-R113 PolarHBondContact O-N 2.78Å; A111-R113 VanDerWaalsContact C-N 3.27Å; A111-R113 PolarHBondContact O-N 2.72Å; R113-N117 WeakPolarHBondContact O-CB 3.34Å; R113-N117 VanDerWaalsContact O-CG 3.24Å; R113-N117 PolarHBondContact O-N 2.91Å; R113-N117 VanDerWaalsContact O-N 3.07Å; R113-N117 PolarHBondContact O-ND2 3.2Å; R113-L144 HydrophobicContact CB-CD2 3.68Å; R113-L144 HydrophobicContact CG-CD2 3.88Å
114	I	98.9	Very high	98.5	Very high	16 Å²	16	44.1 Å²	44.1	8%	0.082	22%	0.215	C	C	.	.	H	α-helix	trans	-62.3	-54.8	178.3	-66.5	167.7	0	0	0	109.4	E81 Y84 R110 A111 Y116 N117 L118	E81-I114 HydrophobicContact CG-CD1 4.49Å; E81-I114 HydrophobicContact CG-CG2 4.27Å; Y84-I114 HydrophobicContact CD2-CD1 3.64Å; Y84-I114 HydrophobicContact CD2-CG2 4.36Å; Y84-I114 HydrophobicContact CE2-CD1 3.98Å; R110-I114 HydrophobicContact CG-CD1 4.35Å; R110-I114 WeakPolarHBondContact O-CG1 3.29Å; R110-I114 PolarHBondContact O-N 2.7Å; A111-I114 WeakPolarHBondContact O-CB 3.41Å; A111-I114 PolarHBondContact O-N 3.15Å; I114-Y116 VanDerWaalsContact C-N 3.35Å; I114-Y116 PolarHBondContact O-N 2.83Å; I114-N117 PolarHBondContact O-N 2.96Å; I114-L118 HydrophobicContact CG2-CD1 3.93Å; I114-L118 HydrophobicContact CG2-CG 4.47Å; I114-L118 WeakPolarHBondContact O-CG 3.22Å; I114-L118 PolarHBondContact O-N 2.85Å
115	F	98.9	Very high	98.7	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.6	-40	179	-82.7	-92.8	0	0	0	113.3	I75 Y84 I87 F88 I91 L94 A111 N117 L118 A119	I75-F115 HydrophobicContact CG2-CE2 3.7Å; I75-F115 HydrophobicContact CG2-CZ 3.8Å; Y84-F115 HydrophobicContact CD1-CD2 4.46Å; Y84-F115 AromaticContact CD1-CE2 3.44Å; Y84-F115 HydrophobicContact CD1-CE2 3.44Å; Y84-F115 VanDerWaalsContact CD1-CE2 3.44Å; Y84-F115 HydrophobicContact CD1-CZ 4.02Å; Y84-F115 HydrophobicContact CE1-CE2 4.04Å; Y84-F115 AromaticContact CG-CE2 3.94Å; Y84-F115 HydrophobicContact CG-CE2 3.94Å; I87-F115 HydrophobicContact CB-CZ 4.34Å; I87-F115 HydrophobicContact CG2-CE1 4.21Å; I87-F115 HydrophobicContact CG2-CZ 3.81Å; F88-F115 HydrophobicContact CB-CD1 4.33Å; F88-F115 HydrophobicContact CB-CE1 3.95Å; F88-F115 AromaticContact CD2-CD1 3.85Å; F88-F115 HydrophobicContact CD2-CD1 3.85Å; F88-F115 HydrophobicContact CD2-CE1 4.24Å; I91-F115 HydrophobicContact CD1-CE1 3.96Å; L94-F115 HydrophobicContact CD1-CD1 4.14Å; L94-F115 HydrophobicContact CD1-CE1 4.33Å; L94-F115 HydrophobicContact CD1-CG 4.38Å; L94-F115 HydrophobicContact CD2-CB 3.47Å; L94-F115 VanDerWaalsContact CD2-CB 3.47Å; L94-F115 HydrophobicContact CD2-CD1 3.98Å; L94-F115 HydrophobicContact CD2-CD2 4.43Å; L94-F115 HydrophobicContact CD2-CG 3.72Å; A111-F115 WeakPolarHBondContact O-CD2 3.48Å; A111-F115 PolarHBondContact O-N 2.96Å; F115-N117 VanDerWaalsContact C-N 3.33Å; F115-N117 PolarHBondContact O-N 3.46Å; F115-L118 PolarHBondContact O-N 2.9Å; F115-A119 VanDerWaalsContact O-CB 3.31Å; F115-A119 WeakPolarHBondContact O-CB 3.4Å; F115-A119 PolarHBondContact O-N 2.89Å
116	Y	98.9	Very high	98.7	Very high	13 Å²	13	40.6 Å²	40.6	5%	0.051	22%	0.223	C	C	.	.	H	α-helix	trans	-59	-44.5	176.2	178.3	-96.8	0	0	0	111.6	A112 I114 A119 L120 I131 L141 L144 T145 F214 F239	A112-Y116 WeakPolarHBondContact O-CB 3.18Å; A112-Y116 PolarHBondContact O-N 3.35Å; I114-Y116 VanDerWaalsContact C-N 3.35Å; I114-Y116 PolarHBondContact O-N 2.83Å; Y116-A119 PolarHBondContact O-N 3.28Å; Y116-L120 HydrophobicContact CD1-CD1 3.91Å; Y116-L120 HydrophobicContact CD1-CG 4.5Å; Y116-L120 HydrophobicContact CE1-CD1 3.38Å; Y116-L120 HydrophobicContact CE1-CG 4.16Å; Y116-L120 WeakPolarHBondContact O-CG 3.13Å; Y116-L120 PolarHBondContact O-N 2.83Å; Y116-I131 HydrophobicContact CD2-CD1 4.48Å; Y116-L141 HydrophobicContact CD2-CD2 3.74Å; Y116-L141 HydrophobicContact CE2-CD2 4.07Å; Y116-L144 HydrophobicContact CD1-CB 4.05Å; Y116-L144 HydrophobicContact CD1-CD1 4.26Å; Y116-L144 HydrophobicContact CD2-CD1 4.22Å; Y116-L144 HydrophobicContact CE1-CB 4.1Å; Y116-L144 HydrophobicContact CG-CB 4.3Å; Y116-L144 HydrophobicContact CG-CD1 3.82Å; Y116-T145 PolarHBondContact OH-OG1 2.75Å; Y116-T145 VanDerWaalsContact OH-OG1 3.1Å; Y116-F214 HydrophobicContact CE2-CZ 4.49Å; Y116-F214 WeakPolarHBondContact OH-CZ 3.4Å; Y116-F239 HydrophobicContact CD2-CD2 4.23Å; Y116-F239 AromaticContact CD2-CE2 3.81Å; Y116-F239 HydrophobicContact CD2-CE2 3.81Å; Y116-F239 AromaticContact CE2-CD2 3.72Å; Y116-F239 HydrophobicContact CE2-CD2 3.72Å; Y116-F239 AromaticContact CE2-CE2 3.47Å; Y116-F239 HydrophobicContact CE2-CE2 3.47Å; Y116-F239 VanDerWaalsContact CE2-CE2 3.47Å
117	N	98.9	Very high	98.7	Very high	73 Å²	73	42.8 Å²	42.8	39%	0.39	23%	0.234	S	C	.	.	H	α-helix	trans	-68	-38.9	177.1	-71	-23.7	0	0	0	112.4	R113 I114 F115 K121	R113-N117 WeakPolarHBondContact O-CB 3.34Å; R113-N117 VanDerWaalsContact O-CG 3.24Å; R113-N117 PolarHBondContact O-N 2.91Å; R113-N117 VanDerWaalsContact O-N 3.07Å; R113-N117 PolarHBondContact O-ND2 3.2Å; I114-N117 PolarHBondContact O-N 2.96Å; F115-N117 VanDerWaalsContact C-N 3.33Å; F115-N117 PolarHBondContact O-N 3.46Å; N117-K121 WeakPolarHBondContact O-CG 3.35Å; N117-K121 PolarHBondContact O-N 3.28Å; N117-K121 VanDerWaalsContact O-N 3.13Å
118	L	98.9	Very high	98.7	Very high	26 Å²	26	42.4 Å²	42.4	14%	0.136	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-46.5	174.9	-69.7	171.8	0	0	0	111	I85 F88 I114 F115 L120 K121 A122	I85-L118 HydrophobicContact CG1-CD1 4.01Å; I85-L118 HydrophobicContact CG1-CD2 4Å; F88-L118 HydrophobicContact CB-CD1 3.77Å; F88-L118 HydrophobicContact CD1-CB 4.03Å; F88-L118 HydrophobicContact CD1-CD1 4.32Å; F88-L118 HydrophobicContact CD2-CB 3.71Å; F88-L118 HydrophobicContact CD2-CD1 4.18Å; F88-L118 HydrophobicContact CE1-CB 4.03Å; F88-L118 HydrophobicContact CE2-CB 3.69Å; F88-L118 HydrophobicContact CG-CB 3.89Å; F88-L118 HydrophobicContact CG-CD1 3.83Å; F88-L118 HydrophobicContact CG-CG 4.43Å; F88-L118 HydrophobicContact CZ-CB 3.87Å; I114-L118 HydrophobicContact CG2-CD1 3.93Å; I114-L118 HydrophobicContact CG2-CG 4.47Å; I114-L118 WeakPolarHBondContact O-CG 3.22Å; I114-L118 PolarHBondContact O-N 2.85Å; F115-L118 PolarHBondContact O-N 2.9Å; L118-L120 PolarHBondContact O-N 2.78Å; L118-K121 PolarHBondContact O-N 3.33Å; L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 2.98Å
119	A	98.9	Very high	98.7	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.8	-40	178.3	0	0	0	0	0	112.4	F88 F115 Y116 N123 F129 I131 F239	F88-A119 HydrophobicContact CE2-CB 4.1Å; F115-A119 VanDerWaalsContact O-CB 3.31Å; F115-A119 WeakPolarHBondContact O-CB 3.4Å; F115-A119 PolarHBondContact O-N 2.89Å; Y116-A119 PolarHBondContact O-N 3.28Å; A119-N123 WeakPolarHBondContact O-CB 3.45Å; A119-N123 PolarHBondContact O-N 2.85Å; A119-N123 PolarHBondContact O-ND2 3.1Å; A119-F129 HydrophobicContact CB-CB 4.47Å; A119-F129 HydrophobicContact CB-CD1 3.76Å; A119-F129 HydrophobicContact CB-CE1 4.48Å; A119-F129 HydrophobicContact CB-CG 4.43Å; A119-I131 HydrophobicContact CB-CD1 3.55Å; A119-I131 HydrophobicContact CB-CG1 4.07Å; A119-F239 HydrophobicContact CB-CE1 3.79Å; A119-F239 HydrophobicContact CB-CZ 3.69Å
120	L	98.9	Very high	98.8	Very high	32 Å²	32	42.4 Å²	42.4	17%	0.168	23%	0.23	C	C	.	.	H	α-helix	trans	-57.9	-50.7	173	-76.3	175.8	0	0	0	111.2	Y116 L118 N123 D124 F214 Y237 F239	Y116-L120 HydrophobicContact CD1-CD1 3.91Å; Y116-L120 HydrophobicContact CD1-CG 4.5Å; Y116-L120 HydrophobicContact CE1-CD1 3.38Å; Y116-L120 HydrophobicContact CE1-CG 4.16Å; Y116-L120 WeakPolarHBondContact O-CG 3.13Å; Y116-L120 PolarHBondContact O-N 2.83Å; L118-L120 PolarHBondContact O-N 2.78Å; L120-N123 PolarHBondContact O-N 3.24Å; L120-D124 WeakPolarHBondContact O-CB 3.37Å; L120-D124 VanDerWaalsContact O-CG 3.24Å; L120-D124 PolarHBondContact O-N 2.94Å; L120-F214 HydrophobicContact CD2-CE2 3.93Å; L120-F214 HydrophobicContact CD2-CZ 3.99Å; L120-Y237 HydrophobicContact CD2-CD1 3.87Å; L120-Y237 HydrophobicContact CD2-CD2 3.95Å; L120-Y237 HydrophobicContact CD2-CE1 3.67Å; L120-Y237 HydrophobicContact CD2-CE2 3.75Å; L120-Y237 HydrophobicContact CD2-CG 4.01Å; L120-F239 HydrophobicContact CD2-CE2 3.73Å; L120-F239 HydrophobicContact CD2-CZ 4.06Å; L120-F239 HydrophobicContact CG-CE2 4.09Å; L120-F239 HydrophobicContact CG-CZ 4.25Å
121	K	98.9	Very high	98.8	Very high	149 Å²	149	39 Å²	39	65%	0.648	22%	0.218	S	C	*	.	H	α-helix	trans	-61.5	-45	179.8	-71.6	175.1	-178.8	179.6	0	112.3	N117 L118 D124 A125	N117-K121 WeakPolarHBondContact O-CG 3.35Å; N117-K121 PolarHBondContact O-N 3.28Å; N117-K121 VanDerWaalsContact O-N 3.13Å; L118-K121 PolarHBondContact O-N 3.33Å; K121-D124 PolarHBondContact O-N 2.83Å; K121-A125 WeakPolarHBondContact O-CB 3.35Å; K121-A125 PolarHBondContact O-N 3.29Å
122	A	98.8	Very high	98.8	Very high	10 Å²	10	39 Å²	39	8%	0.083	22%	0.218	C	C	.	.	H	α-helix	trans	-60.8	-52.4	178.4	0	0	0	0	0	110.7	F88 L118 D124 A125 G126 D127	F88-A122 HydrophobicContact CE1-CB 3.98Å; F88-A122 HydrophobicContact CZ-CB 3.69Å; L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 2.98Å; A122-D124 VanDerWaalsContact C-N 3.33Å; A122-D124 PolarHBondContact O-N 3.49Å; A122-A125 CarbonylContact O-C 3.56Å; A122-A125 WeakPolarHBondContact O-CA 3.2Å; A122-A125 WeakPolarHBondContact O-CB 3.35Å; A122-A125 PolarHBondContact O-N 2.9Å; A122-G126 PolarHBondContact O-N 3.07Å; A122-G126 VanDerWaalsContact O-N 3.15Å; A122-D127 CarbonylContact C-O 3.46Å; A122-D127 HydrophobicContact CB-CB 4Å; A122-D127 WeakPolarHBondContact O-CA 3.41Å; A122-D127 WeakPolarHBondContact O-CB 3.46Å; A122-D127 PolarHBondContact O-N 3.44Å
123	N	98.8	Very high	98.8	Very high	27 Å²	27	39 Å²	39	14%	0.144	22%	0.217	C	C	.	.	H	α-helix	trans	-64.5	-36	-179.5	-75.8	-77.8	0	0	0	112.3	A119 L120 A125 G126 D127 F129 Y237 P238	A119-N123 WeakPolarHBondContact O-CB 3.45Å; A119-N123 PolarHBondContact O-N 2.85Å; A119-N123 PolarHBondContact O-ND2 3.1Å; L120-N123 PolarHBondContact O-N 3.24Å; N123-A125 PolarHBondContact O-N 3.13Å; N123-G126 PolarHBondContact O-N 2.91Å; N123-G126 VanDerWaalsContact O-N 3.11Å; N123-D127 WeakPolarHBondContact CA-O 3.49Å; N123-D127 PolarHBondContact N-O 2.99Å; N123-D127 VanDerWaalsContact N-O 3.15Å; N123-F129 PolarHBondContact ND2-O 3.38Å; N123-F129 PolarHBondContact OD1-N 3.19Å; N123-Y237 HydrophobicContact CB-CD1 3.72Å; N123-Y237 HydrophobicContact CB-CE1 4.1Å; N123-P238 WeakPolarHBondContact OD1-CD 3.43Å; N123-P238 VanDerWaalsContact OD1-CG 3.29Å; N123-P238 WeakPolarHBondContact OD1-CG 3.33Å
124	D	98.7	Very high	98.8	Very high	96 Å²	96	33.7 Å²	33.7	51%	0.513	20%	0.198	S	C	.	.	H	α-helix	trans	-63.9	-30.3	173	-74.8	-24	0	0	0	112.1	L120 K121 A122 G126 Y237	L120-D124 WeakPolarHBondContact O-CB 3.37Å; L120-D124 VanDerWaalsContact O-CG 3.24Å; L120-D124 PolarHBondContact O-N 2.94Å; K121-D124 PolarHBondContact O-N 2.83Å; A122-D124 VanDerWaalsContact C-N 3.33Å; A122-D124 PolarHBondContact O-N 3.49Å; D124-G126 VanDerWaalsContact C-N 3.31Å; D124-Y237 VanDerWaalsContact OD1-CE1 3.28Å; D124-Y237 WeakPolarHBondContact OD1-CE1 3.46Å; D124-Y237 PolarHBondContact OD1-OH 2.86Å; D124-Y237 PolarHBondContact OD2-OH 3Å
125	A	98.4	Very high	98.8	Very high	86 Å²	86	33.1 Å²	33.1	71%	0.711	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.4	3.5	174.4	0	0	0	0	0	113.9	K121 A122 N123 D127	K121-A125 WeakPolarHBondContact O-CB 3.35Å; K121-A125 PolarHBondContact O-N 3.29Å; A122-A125 CarbonylContact O-C 3.56Å; A122-A125 WeakPolarHBondContact O-CA 3.2Å; A122-A125 WeakPolarHBondContact O-CB 3.35Å; A122-A125 PolarHBondContact O-N 2.9Å; N123-A125 PolarHBondContact O-N 3.13Å; A125-D127 VanDerWaalsContact C-N 3.34Å
126	G	97.9	Very high	98.8	Very high	68 Å²	68	33.3 Å²	33.3	70%	0.701	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.1	9	-178	0	0	0	0	0	114.8	A122 N123 D124	A122-G126 PolarHBondContact O-N 3.07Å; A122-G126 VanDerWaalsContact O-N 3.15Å; N123-G126 PolarHBondContact O-N 2.91Å; N123-G126 VanDerWaalsContact O-N 3.11Å; D124-G126 VanDerWaalsContact C-N 3.31Å
127	D	98.3	Very high	98.8	Very high	55 Å²	55	32.7 Å²	32.7	29%	0.294	19%	0.193	S	C	.	.			trans	-93.1	104.2	175.2	-174.3	14.5	0	0	0	110.2	A122 N123 A125 F129 H285	A122-D127 CarbonylContact C-O 3.46Å; A122-D127 HydrophobicContact CB-CB 4Å; A122-D127 WeakPolarHBondContact O-CA 3.41Å; A122-D127 WeakPolarHBondContact O-CB 3.46Å; A122-D127 PolarHBondContact O-N 3.44Å; N123-D127 WeakPolarHBondContact CA-O 3.49Å; N123-D127 PolarHBondContact N-O 2.99Å; N123-D127 VanDerWaalsContact N-O 3.15Å; A125-D127 VanDerWaalsContact C-N 3.34Å; D127-F129 PolarHBondContact O-N 3.43Å; D127-H285 IonicContact OD1-CD2 3.13Å; D127-H285 IonicContact OD1-NE2 3.28Å; D127-H285 PolarHBondContact OD1-NE2 3.07Å; D127-H285 IonicContact OD2-CD2 3.63Å; D127-H285 IonicContact OD2-CE1 2.71Å; D127-H285 IonicContact OD2-NE2 2.71Å; D127-H285 PolarHBondContact OD2-NE2 3.27Å
128	Y	98.6	Very high	98.8	Very high	55 Å²	55	29.2 Å²	29.2	22%	0.216	18%	0.175	C	C	.	.			trans	-72.3	118.1	-169.1	-161.4	-85.7	0	0	0	111.3	P130 P238 E279 K282 S283	Y128-P130 HydrophobicContact CE1-CB 4.42Å; Y128-P238 HydrophobicContact CD1-CG 4.23Å; Y128-P238 HydrophobicContact CD2-CG 4.47Å; Y128-P238 HydrophobicContact CE1-CB 3.65Å; Y128-P238 HydrophobicContact CE1-CG 3.84Å; Y128-P238 HydrophobicContact CE2-CB 4.11Å; Y128-P238 HydrophobicContact CE2-CG 4.12Å; Y128-P238 VanDerWaalsContact CZ-CB 3.44Å; Y128-P238 WeakPolarHBondContact OH-CB 2.98Å; Y128-E279 WeakPolarHBondContact CE1-O 3.44Å; Y128-E279 VanDerWaalsContact OH-CD 3.31Å; Y128-E279 PolarHBondContact OH-OE1 3.37Å; Y128-E279 PolarHBondContact OH-OE2 3.1Å; Y128-K282 HydrophobicContact CD1-CB 3.66Å; Y128-K282 HydrophobicContact CD1-CD 4.42Å; Y128-K282 HydrophobicContact CE1-CB 3.9Å; Y128-K282 HydrophobicContact CE1-CD 3.83Å; Y128-K282 HydrophobicContact CE1-CG 4.47Å; Y128-K282 HydrophobicContact CE2-CD 4.38Å; Y128-K282 HydrophobicContact CG-CB 4.09Å; Y128-S283 WeakPolarHBondContact O-CA 3.37Å; Y128-S283 WeakPolarHBondContact O-CB 3.34Å; Y128-S283 PolarHBondContact O-OG 3.27Å
129	F	98.9	Very high	98.8	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	17%	0.172	C	C	.	.			trans	-138.7	108.3	177.3	-168	-80.5	0	0	0	111.5	F88 I91 L94 A119 N123 D127 I131 P238 H285	F88-F129 HydrophobicContact CD2-CD1 4.42Å; F88-F129 HydrophobicContact CD2-CD2 4.12Å; F88-F129 HydrophobicContact CD2-CE1 4.08Å; F88-F129 AromaticContact CD2-CE2 3.73Å; F88-F129 HydrophobicContact CD2-CE2 3.73Å; F88-F129 HydrophobicContact CD2-CG 4.43Å; F88-F129 AromaticContact CD2-CZ 3.72Å; F88-F129 HydrophobicContact CD2-CZ 3.72Å; F88-F129 HydrophobicContact CE2-CB 4.26Å; F88-F129 AromaticContact CE2-CD1 3.59Å; F88-F129 HydrophobicContact CE2-CD1 3.59Å; F88-F129 AromaticContact CE2-CD2 3.53Å; F88-F129 HydrophobicContact CE2-CD2 3.53Å; F88-F129 AromaticContact CE2-CE1 3.69Å; F88-F129 HydrophobicContact CE2-CE1 3.69Å; F88-F129 AromaticContact CE2-CE2 3.61Å; F88-F129 HydrophobicContact CE2-CE2 3.61Å; F88-F129 AromaticContact CE2-CG 3.5Å; F88-F129 HydrophobicContact CE2-CG 3.5Å; F88-F129 AromaticContact CE2-CZ 3.7Å; F88-F129 HydrophobicContact CE2-CZ 3.7Å; F88-F129 HydrophobicContact CG-CE2 4.44Å; F88-F129 HydrophobicContact CZ-CB 4.07Å; F88-F129 HydrophobicContact CZ-CD1 4.27Å; F88-F129 AromaticContact CZ-CD2 3.75Å; F88-F129 HydrophobicContact CZ-CD2 3.75Å; F88-F129 HydrophobicContact CZ-CE2 4.21Å; F88-F129 AromaticContact CZ-CG 3.76Å; F88-F129 HydrophobicContact CZ-CG 3.76Å; I91-F129 HydrophobicContact CD1-CZ 4.15Å; I91-F129 HydrophobicContact CG1-CE2 3.94Å; I91-F129 HydrophobicContact CG1-CZ 3.98Å; I91-F129 WeakPolarHBondContact O-CE2 3.2Å; L94-F129 HydrophobicContact CB-CE1 3.86Å; L94-F129 HydrophobicContact CB-CZ 4.19Å; A119-F129 HydrophobicContact CB-CB 4.47Å; A119-F129 HydrophobicContact CB-CD1 3.76Å; A119-F129 HydrophobicContact CB-CE1 4.48Å; A119-F129 HydrophobicContact CB-CG 4.43Å; N123-F129 PolarHBondContact ND2-O 3.38Å; N123-F129 PolarHBondContact OD1-N 3.19Å; D127-F129 PolarHBondContact O-N 3.43Å; F129-I131 HydrophobicContact CD1-CG1 4.23Å; F129-I131 HydrophobicContact CE1-CG1 4.22Å; F129-P238 WeakPolarHBondContact O-CG 3.41Å; F129-H285 AromaticContact CD2-CE1 3.65Å; F129-H285 AromaticContact CD2-ND1 3.69Å; F129-H285 AromaticContact CE2-ND1 3.9Å
130	P	98.9	Very high	98.8	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.173	C	C	.	.			trans	-83.2	145.9	-178.7	36.9	-38	0	0	0	113.2	N92 G93 L94 Y128 P238 F276 E279 A280	N92-P130 WeakPolarHBondContact O-CD 3.42Å; G93-P130 WeakPolarHBondContact CA-O 3.44Å; L94-P130 PolarHBondContact N-O 3.25Å; Y128-P130 HydrophobicContact CE1-CB 4.42Å; P130-P238 WeakPolarHBondContact CA-O 3.41Å; P130-P238 HydrophobicContact CB-CB 3.99Å; P130-P238 HydrophobicContact CB-CG 4.3Å; P130-P238 WeakPolarHBondContact CB-O 3.44Å; P130-F276 HydrophobicContact CB-CE2 3.88Å; P130-F276 HydrophobicContact CG-CE2 4.15Å; P130-E279 HydrophobicContact CB-CB 3.82Å; P130-E279 HydrophobicContact CG-CB 4.05Å; P130-A280 HydrophobicContact CG-CB 4.34Å
131	I	99	Very high	98.8	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.2	171.9	-59.5	-178	0	0	0	109.6	L94 L96 Y116 A119 F129 L141 P238 F239 Y240	L94-I131 HydrophobicContact CB-CG1 4.39Å; L94-I131 CarbonylContact O-C 3.45Å; L94-I131 WeakPolarHBondContact O-CA 3.19Å; L96-I131 HydrophobicContact CD1-CG2 4.24Å; L96-I131 HydrophobicContact CG-CG2 4.32Å; Y116-I131 HydrophobicContact CD2-CD1 4.48Å; A119-I131 HydrophobicContact CB-CD1 3.55Å; A119-I131 HydrophobicContact CB-CG1 4.07Å; F129-I131 HydrophobicContact CD1-CG1 4.23Å; F129-I131 HydrophobicContact CE1-CG1 4.22Å; I131-L141 HydrophobicContact CG2-CD1 4.32Å; I131-L141 HydrophobicContact CG2-CD2 4.06Å; I131-P238 PolarHBondContact N-O 3.46Å; I131-F239 HydrophobicContact CB-CD1 3.86Å; I131-F239 HydrophobicContact CB-CE1 4.29Å; I131-F239 HydrophobicContact CB-CG 4.31Å; I131-F239 HydrophobicContact CD1-CD1 4.32Å; I131-F239 HydrophobicContact CD1-CE1 3.94Å; I131-F239 HydrophobicContact CD1-CZ 4.06Å; I131-F239 HydrophobicContact CG1-CD1 4Å; I131-F239 HydrophobicContact CG1-CE1 3.9Å; I131-F239 CarbonylContact O-C 3.49Å; I131-F239 WeakPolarHBondContact O-CA 3.47Å; I131-Y240 PolarHBondContact O-N 2.91Å
132	W	99	Very high	98.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	133.8	170.9	-172.3	-84.6	0	0	0	110.8	L94 L95 L96 T134 L174 Y240 V242 T272 F275 F276	L94-W132 PolarHBondContact O-N 3.47Å; L95-W132 CarbonylContact C-O 3.23Å; L95-W132 WeakPolarHBondContact CA-O 3.4Å; L95-W132 HydrophobicContact CD1-CG 4.38Å; L95-W132 HydrophobicContact CG-CB 4.39Å; L95-W132 HydrophobicContact CG-CG 4.5Å; L96-W132 PolarHBondContact N-O 3Å; W132-T134 PolarHBondContact NE1-OG1 3.07Å; W132-L174 HydrophobicContact CH2-CD1 3.85Å; W132-L174 HydrophobicContact CH2-CD2 4.41Å; W132-L174 HydrophobicContact CZ3-CD1 3.88Å; W132-Y240 CarbonylContact C-O 3.54Å; W132-Y240 WeakPolarHBondContact CA-O 3.36Å; W132-Y240 HydrophobicContact CE3-CD2 4.47Å; W132-Y240 HydrophobicContact CE3-CG 4.25Å; W132-Y240 HydrophobicContact CZ3-CG 4.25Å; W132-V242 HydrophobicContact CH2-CG1 4.08Å; W132-V242 HydrophobicContact CZ2-CB 4.32Å; W132-V242 HydrophobicContact CZ2-CG1 3.71Å; W132-V242 HydrophobicContact CZ2-CG2 3.6Å; W132-T272 HydrophobicContact CH2-CG2 3.26Å; W132-T272 HydrophobicContact CZ2-CG2 3.27Å; W132-T272 HydrophobicContact CZ3-CG2 4.32Å; W132-F275 AromaticContact CZ3-CD1 3.99Å; W132-F275 HydrophobicContact CZ3-CD1 3.99Å; W132-F275 HydrophobicContact CZ3-CE1 4.24Å; W132-F276 HydrophobicContact CB-CD1 3.8Å; W132-F276 HydrophobicContact CB-CD2 3.82Å; W132-F276 HydrophobicContact CB-CE1 3.53Å; W132-F276 HydrophobicContact CB-CE2 3.57Å; W132-F276 HydrophobicContact CB-CG 3.94Å; W132-F276 HydrophobicContact CB-CZ 3.44Å; W132-F276 VanDerWaalsContact CB-CZ 3.44Å; W132-F276 HydrophobicContact CD2-CB 4.35Å; W132-F276 HydrophobicContact CD2-CD2 4.45Å; W132-F276 HydrophobicContact CD2-CG 4.19Å; W132-F276 HydrophobicContact CE3-CB 3.72Å; W132-F276 AromaticContact CE3-CD2 3.86Å; W132-F276 HydrophobicContact CE3-CD2 3.86Å; W132-F276 AromaticContact CE3-CG 3.79Å; W132-F276 HydrophobicContact CE3-CG 3.79Å; W132-F276 HydrophobicContact CG-CD1 4.21Å; W132-F276 HydrophobicContact CG-CD2 4.48Å; W132-F276 HydrophobicContact CG-CE1 4.37Å; W132-F276 HydrophobicContact CG-CG 4.28Å; W132-F276 HydrophobicContact CZ3-CB 4.19Å
133	G	98.9	Very high	98.8	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	122.6	171.9	0	0	0	0	0	112.2	Y240 A241 V242	G133-Y240 PolarHBondContact N-O 3Å; G133-A241 CarbonylContact O-C 3.59Å; G133-A241 VanDerWaalsContact O-CA 3.25Å; G133-A241 WeakPolarHBondContact O-CA 3.33Å; G133-V242 PolarHBondContact O-N 3.47Å
134	T	98.9	Very high	98.8	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.2	173.3	-65.6	0	0	0	0	109.9	Y61 L96 P97 G98 W132 Q136 G137 V242	Y61-T134 HydrophobicContact CE1-CG2 3.96Å; L96-T134 PolarHBondContact O-N 3.35Å; P97-T134 CarbonylContact C-O 3.58Å; P97-T134 VanDerWaalsContact C-O 3.23Å; G98-T134 WeakPolarHBondContact CA-O 3.29Å; G98-T134 PolarHBondContact N-O 2.93Å; W132-T134 PolarHBondContact NE1-OG1 3.07Å; T134-Q136 PolarHBondContact O-N 3.27Å; T134-G137 PolarHBondContact O-N 3.02Å; T134-V242 CarbonylContact C-O 3.55Å; T134-V242 WeakPolarHBondContact CA-O 3.43Å; T134-V242 HydrophobicContact CG2-CG2 4.46Å
135	C	98.8	Very high	98.8	Very high	4 Å²	4	16.2 Å²	16.2	3%	0.027	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.6	-102.2	175	-178.3	0	0	0	0	113.4	G137 F138 Q139 V242 H245	C135-G137 VanDerWaalsContact C-N 3.27Å; C135-G137 PolarHBondContact O-N 3.38Å; C135-F138 WeakPolarHBondContact O-CA 3.41Å; C135-F138 VanDerWaalsContact O-CB 3.29Å; C135-F138 WeakPolarHBondContact O-CB 3.31Å; C135-F138 PolarHBondContact O-N 3Å; C135-Q139 WeakPolarHBondContact O-CG 3.42Å; C135-Q139 PolarHBondContact O-N 3.24Å; C135-V242 PolarHBondContact N-O 3.4Å; C135-H245 VanDerWaalsContact CB-CE1 3.41Å; C135-H245 WeakPolarHBondContact CB-CE1 3.47Å; C135-H245 WeakPolarHBondContact CB-NE2 3.06Å; C135-H245 PolarHBondContact SG-NE2 3.01Å
136	Q	98.8	Very high	98.8	Very high	4 Å²	4	12.3 Å²	12.3	2%	0.019	8%	0.079	C	C	.	.	H	α-helix	trans	-59.1	-36.5	172.3	-175.9	169.9	16	0	0	112.4	G99 V101 I103 F108 T134 F138 Q139 Q140	G99-Q136 PolarHBondContact O-OE1 3.36Å; V101-Q136 PolarHBondContact O-NE2 3.37Å; I103-Q136 HydrophobicContact CD1-CG 3.91Å; F108-Q136 HydrophobicContact CE1-CG 4.3Å; T134-Q136 PolarHBondContact O-N 3.27Å; Q136-F138 VanDerWaalsContact C-N 3.31Å; Q136-F138 PolarHBondContact O-N 2.99Å; Q136-Q139 WeakPolarHBondContact O-CB 3.34Å; Q136-Q139 PolarHBondContact O-N 3.07Å; Q136-Q140 WeakPolarHBondContact O-CB 3.37Å; Q136-Q140 PolarHBondContact O-N 3.35Å
137	G	98.9	Very high	98.8	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-60.8	-38.1	171.8	0	0	0	0	0	113.1	P97 T134 C135 Q140 L141	P97-G137 PolarHBondContact O-N 3.03Å; P97-G137 VanDerWaalsContact O-N 3.12Å; T134-G137 PolarHBondContact O-N 3.02Å; C135-G137 VanDerWaalsContact C-N 3.27Å; C135-G137 PolarHBondContact O-N 3.38Å; G137-Q140 PolarHBondContact O-N 3.26Å; G137-L141 WeakPolarHBondContact O-CG 3.42Å; G137-L141 PolarHBondContact O-N 3.26Å
138	F	98.9	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-61.9	-47.6	171.7	168	-73.7	0	0	0	110.9	C135 Q136 Q140 L141 S142 L200 I229 M232 A241 V242 Q243	C135-F138 WeakPolarHBondContact O-CA 3.41Å; C135-F138 VanDerWaalsContact O-CB 3.29Å; C135-F138 WeakPolarHBondContact O-CB 3.31Å; C135-F138 PolarHBondContact O-N 3Å; Q136-F138 VanDerWaalsContact C-N 3.31Å; Q136-F138 PolarHBondContact O-N 2.99Å; F138-Q140 VanDerWaalsContact C-N 3.31Å; F138-Q140 PolarHBondContact O-N 3.22Å; F138-L141 PolarHBondContact O-N 2.99Å; F138-S142 PolarHBondContact O-N 3.45Å; F138-S142 VanDerWaalsContact O-N 3.07Å; F138-L200 HydrophobicContact CE1-CB 3.83Å; F138-L200 HydrophobicContact CZ-CB 4.23Å; F138-L200 HydrophobicContact CZ-CD2 4.43Å; F138-I229 HydrophobicContact CE2-CG2 3.82Å; F138-I229 HydrophobicContact CZ-CB 3.96Å; F138-I229 HydrophobicContact CZ-CG2 3.66Å; F138-M232 HydrophobicContact CD2-CE 3.95Å; F138-M232 HydrophobicContact CD2-CG 4.35Å; F138-M232 HydrophobicContact CE1-CE 4.36Å; F138-M232 HydrophobicContact CE2-CE 3.63Å; F138-M232 HydrophobicContact CE2-CG 3.7Å; F138-M232 HydrophobicContact CE2-SD 3.76Å; F138-M232 HydrophobicContact CG-CE 4.42Å; F138-M232 HydrophobicContact CZ-CE 3.83Å; F138-M232 HydrophobicContact CZ-CG 4.44Å; F138-M232 HydrophobicContact CZ-SD 3.92Å; F138-A241 HydrophobicContact CB-CB 3.98Å; F138-A241 HydrophobicContact CD2-CB 3.35Å; F138-A241 HydrophobicContact CE2-CB 4.13Å; F138-A241 HydrophobicContact CG-CB 3.99Å; F138-V242 WeakPolarHBondContact CB-O 3.47Å; F138-Q243 HydrophobicContact CD1-CB 4.37Å; F138-Q243 VanDerWaalsContact CD1-OE1 3.23Å; F138-Q243 HydrophobicContact CD2-CB 4.38Å; F138-Q243 HydrophobicContact CG-CB 4.32Å
139	Q	98.9	Very high	98.7	Very high	16 Å²	16	23.3 Å²	23.3	8%	0.075	10%	0.103	C	C	.	.	H	α-helix	trans	-59.7	-44.6	178.5	-66.8	164.7	3.1	0	0	110.4	I103 C135 Q136 L141 S142 V143 L151 W198	I103-Q139 HydrophobicContact CD1-CB 3.95Å; C135-Q139 WeakPolarHBondContact O-CG 3.42Å; C135-Q139 PolarHBondContact O-N 3.24Å; Q136-Q139 WeakPolarHBondContact O-CB 3.34Å; Q136-Q139 PolarHBondContact O-N 3.07Å; Q139-L141 PolarHBondContact O-N 3.46Å; Q139-S142 WeakPolarHBondContact O-CB 3.39Å; Q139-S142 PolarHBondContact O-N 3.26Å; Q139-S142 VanDerWaalsContact O-N 3.15Å; Q139-S142 PolarHBondContact O-OG 2.86Å; Q139-V143 WeakPolarHBondContact O-CG2 3.36Å; Q139-V143 PolarHBondContact O-N 3.08Å; Q139-L151 HydrophobicContact CB-CD1 3.81Å; Q139-L151 HydrophobicContact CB-CD2 4.04Å; Q139-L151 HydrophobicContact CG-CD1 3.89Å; Q139-L151 HydrophobicContact CG-CD2 3.84Å; Q139-W198 PolarHBondContact NE2-O 2.77Å
140	Q	98.9	Very high	98.7	Very high	4 Å²	4	24.4 Å²	24.4	2%	0.019	11%	0.109	C	C	.	.	H	α-helix	trans	-59.4	-48.1	179.1	-169.7	63.8	55.5	0	0	111.2	I103 F108 S109 A112 Q136 G137 F138 S142 V143 L144	I103-Q140 HydrophobicContact CD1-CB 4.18Å; I103-Q140 PolarHBondContact O-OE1 3.4Å; F108-Q140 HydrophobicContact CE1-CB 4.27Å; F108-Q140 HydrophobicContact CE1-CG 4.22Å; S109-Q140 PolarHBondContact OG-OE1 2.95Å; A112-Q140 HydrophobicContact CB-CG 3.71Å; Q136-Q140 WeakPolarHBondContact O-CB 3.37Å; Q136-Q140 PolarHBondContact O-N 3.35Å; G137-Q140 PolarHBondContact O-N 3.26Å; F138-Q140 VanDerWaalsContact C-N 3.31Å; F138-Q140 PolarHBondContact O-N 3.22Å; Q140-S142 VanDerWaalsContact C-N 3.28Å; Q140-S142 PolarHBondContact O-N 3.1Å; Q140-V143 PolarHBondContact O-N 2.94Å; Q140-L144 HydrophobicContact CG-CD1 3.96Å; Q140-L144 HydrophobicContact CG-CG 4.35Å; Q140-L144 WeakPolarHBondContact O-CB 3.46Å; Q140-L144 VanDerWaalsContact O-CG 3.24Å; Q140-L144 WeakPolarHBondContact O-CG 3.42Å; Q140-L144 PolarHBondContact O-N 3.44Å
141	L	98.9	Very high	98.7	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.9	-38.9	177.1	-72.3	177.7	0	0	0	112.1	L96 Y116 I131 G137 F138 Q139 T145 A241	L96-L141 HydrophobicContact CD1-CD2 4.02Å; L96-L141 HydrophobicContact CD1-CG 4.09Å; Y116-L141 HydrophobicContact CD2-CD2 3.74Å; Y116-L141 HydrophobicContact CE2-CD2 4.07Å; I131-L141 HydrophobicContact CG2-CD1 4.32Å; I131-L141 HydrophobicContact CG2-CD2 4.06Å; G137-L141 WeakPolarHBondContact O-CG 3.42Å; G137-L141 PolarHBondContact O-N 3.26Å; F138-L141 PolarHBondContact O-N 2.99Å; Q139-L141 PolarHBondContact O-N 3.46Å; L141-T145 WeakPolarHBondContact O-CB 3.31Å; L141-T145 PolarHBondContact O-N 3.2Å; L141-T145 VanDerWaalsContact O-N 3.08Å; L141-T145 PolarHBondContact O-OG1 3.15Å; L141-A241 HydrophobicContact CD1-CB 4.01Å
142	S	98.8	Very high	98.6	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.007	12%	0.122	C	C	.	.	H	α-helix	trans	-64.2	-44.3	175.6	82.6	0	0	0	0	112	F138 Q139 Q140 T145 A146	F138-S142 PolarHBondContact O-N 3.45Å; F138-S142 VanDerWaalsContact O-N 3.07Å; Q139-S142 WeakPolarHBondContact O-CB 3.39Å; Q139-S142 PolarHBondContact O-N 3.26Å; Q139-S142 VanDerWaalsContact O-N 3.15Å; Q139-S142 PolarHBondContact O-OG 2.86Å; Q140-S142 VanDerWaalsContact C-N 3.28Å; Q140-S142 PolarHBondContact O-N 3.1Å; S142-T145 PolarHBondContact O-N 3.38Å; S142-A146 VanDerWaalsContact O-CB 3.27Å; S142-A146 WeakPolarHBondContact O-CB 2.98Å; S142-A146 PolarHBondContact O-N 3.26Å
143	V	98.8	Very high	98.6	Very high	12 Å²	12	31.2 Å²	31.2	7%	0.073	15%	0.146	C	C	.	.	H	α-helix	trans	-67.1	-44.3	-179.8	173.7	0	0	0	0	111	I103 Q139 Q140 T145 R147 K148	I103-V143 HydrophobicContact CG1-CG2 3.95Å; Q139-V143 WeakPolarHBondContact O-CG2 3.36Å; Q139-V143 PolarHBondContact O-N 3.08Å; Q140-V143 PolarHBondContact O-N 2.94Å; V143-T145 VanDerWaalsContact C-N 3.33Å; V143-T145 PolarHBondContact O-N 2.99Å; V143-R147 VanDerWaalsContact O-CA 3.22Å; V143-R147 WeakPolarHBondContact O-CA 3.46Å; V143-R147 PolarHBondContact O-N 2.67Å; V143-K148 PolarHBondContact O-N 3.44Å
144	L	98.8	Very high	98.6	Very high	23 Å²	23	31.8 Å²	31.8	12%	0.12	15%	0.149	C	C	.	.	H	α-helix	trans	-60.7	-43.2	177.7	-69	173.1	0	0	0	111.6	R113 Y116 Q140	R113-L144 HydrophobicContact CB-CD2 3.68Å; R113-L144 HydrophobicContact CG-CD2 3.88Å; Y116-L144 HydrophobicContact CD1-CB 4.05Å; Y116-L144 HydrophobicContact CD1-CD1 4.26Å; Y116-L144 HydrophobicContact CD2-CD1 4.22Å; Y116-L144 HydrophobicContact CE1-CB 4.1Å; Y116-L144 HydrophobicContact CG-CB 4.3Å; Y116-L144 HydrophobicContact CG-CD1 3.82Å; Q140-L144 HydrophobicContact CG-CD1 3.96Å; Q140-L144 HydrophobicContact CG-CG 4.35Å; Q140-L144 WeakPolarHBondContact O-CB 3.46Å; Q140-L144 VanDerWaalsContact O-CG 3.24Å; Q140-L144 WeakPolarHBondContact O-CG 3.42Å; Q140-L144 PolarHBondContact O-N 3.44Å
145	T	98.8	Very high	98.4	Very high	11 Å²	11	38.4 Å²	38.4	7%	0.067	18%	0.178	C	C	.	.	H	α-helix	trans	-70.3	-46.6	-179.7	-55.1	0	0	0	0	111.9	Y116 L141 S142 V143 R147 K210 L211 F214 Y215	Y116-T145 PolarHBondContact OH-OG1 2.75Å; Y116-T145 VanDerWaalsContact OH-OG1 3.1Å; L141-T145 WeakPolarHBondContact O-CB 3.31Å; L141-T145 PolarHBondContact O-N 3.2Å; L141-T145 VanDerWaalsContact O-N 3.08Å; L141-T145 PolarHBondContact O-OG1 3.15Å; S142-T145 PolarHBondContact O-N 3.38Å; V143-T145 VanDerWaalsContact C-N 3.33Å; V143-T145 PolarHBondContact O-N 2.99Å; T145-R147 VanDerWaalsContact C-N 3.27Å; T145-R147 PolarHBondContact O-N 3.46Å; T145-K210 WeakPolarHBondContact O-CD 3.42Å; T145-L211 HydrophobicContact CG2-CD2 3.97Å; T145-F214 HydrophobicContact CG2-CB 3.57Å; T145-F214 HydrophobicContact CG2-CD1 3.94Å; T145-F214 HydrophobicContact CG2-CD2 4.09Å; T145-F214 HydrophobicContact CG2-CG 3.6Å; T145-Y215 HydrophobicContact CG2-CD2 4.32Å; T145-Y215 HydrophobicContact CG2-CE2 3.91Å; T145-Y215 VanDerWaalsContact OG1-CE2 3.29Å; T145-Y215 WeakPolarHBondContact OG1-CE2 3.28Å; T145-Y215 PolarHBondContact OG1-OH 2.95Å
146	A	98.4	Very high	98.3	Very high	4 Å²	4	38.2 Å²	38.2	3%	0.033	18%	0.177	C	C	.	.	H	α-helix	trans	-70.1	-26.6	178.3	0	0	0	0	0	112.5	S142 K148 L150 K210 L211	S142-A146 VanDerWaalsContact O-CB 3.27Å; S142-A146 WeakPolarHBondContact O-CB 2.98Å; S142-A146 PolarHBondContact O-N 3.26Å; A146-K148 PolarHBondContact O-N 3.22Å; A146-L150 HydrophobicContact CB-CD1 3.75Å; A146-L150 HydrophobicContact CB-CG 4.42Å; A146-K210 PolarHBondContact O-NZ 3.33Å; A146-L211 HydrophobicContact CB-CD1 4.12Å; A146-L211 HydrophobicContact CB-CD2 4.39Å; A146-L211 HydrophobicContact CB-CG 4.05Å
147	R	97.6	Very high	98	Very high	210 Å²	210	45 Å²	45	79%	0.792	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.6	33.8	-163.8	-52.8	-173.4	-176	177.8	-3.2	112.3	V143 T145	V143-R147 VanDerWaalsContact O-CA 3.22Å; V143-R147 WeakPolarHBondContact O-CA 3.46Å; V143-R147 PolarHBondContact O-N 2.67Å; T145-R147 VanDerWaalsContact C-N 3.27Å; T145-R147 PolarHBondContact O-N 3.46Å
148	K	97.8	Very high	97.8	Very high	136 Å²	136	45.9 Å²	45.9	59%	0.591	21%	0.214	S	C	*	.	S	Bend	trans	-160	142.2	-178.6	-174.9	170.7	178.4	178.1	0	109.2	V143 A146 L150	V143-K148 PolarHBondContact O-N 3.44Å; A146-K148 PolarHBondContact O-N 3.22Å; K148-L150 HydrophobicContact CB-CG 4.37Å; K148-L150 HydrophobicContact CD-CD2 3.89Å; K148-L150 HydrophobicContact CG-CD2 4.03Å; K148-L150 HydrophobicContact CG-CG 4.33Å; K148-L150 PolarHBondContact O-N 2.8Å
149	N	98.3	Very high	97.7	Very high	62 Å²	62	48.2 Å²	48.2	33%	0.332	23%	0.227	S	C	.	.			trans	-72.5	114.3	168.1	-171.2	-6.8	0	0	0	109.6	L151	N149-L151 WeakPolarHBondContact OD1-CB 3.41Å; N149-L151 WeakPolarHBondContact OD1-CG 3.21Å; N149-L151 PolarHBondContact OD1-N 3.32Å; N149-L151 VanDerWaalsContact OD1-N 3.11Å
150	L	98.3	Very high	97.7	Very high	24 Å²	24	48.2 Å²	48.2	13%	0.126	23%	0.23	C	C	.	.			trans	-119.9	15.2	-179	-66.2	178.7	0	0	0	112	A146 K148 L200 N204 N208 L211	A146-L150 HydrophobicContact CB-CD1 3.75Å; A146-L150 HydrophobicContact CB-CG 4.42Å; K148-L150 HydrophobicContact CB-CG 4.37Å; K148-L150 HydrophobicContact CD-CD2 3.89Å; K148-L150 HydrophobicContact CG-CD2 4.03Å; K148-L150 HydrophobicContact CG-CG 4.33Å; K148-L150 PolarHBondContact O-N 2.8Å; L150-L200 HydrophobicContact CB-CD1 4.14Å; L150-N204 HydrophobicContact CB-CB 4.31Å; L150-N204 PolarHBondContact O-ND2 3.44Å; L150-N208 HydrophobicContact CD1-CB 3.83Å; L150-L211 HydrophobicContact CD1-CD1 3.84Å
151	L	98.6	Very high	97.6	Very high	20 Å²	20	49.5 Å²	49.5	11%	0.105	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	149.4	180	-55.7	175.2	0	0	0	110.6	Q139 N149 W198 S199	Q139-L151 HydrophobicContact CB-CD1 3.81Å; Q139-L151 HydrophobicContact CB-CD2 4.04Å; Q139-L151 HydrophobicContact CG-CD1 3.89Å; Q139-L151 HydrophobicContact CG-CD2 3.84Å; N149-L151 WeakPolarHBondContact OD1-CB 3.41Å; N149-L151 WeakPolarHBondContact OD1-CG 3.21Å; N149-L151 PolarHBondContact OD1-N 3.32Å; N149-L151 VanDerWaalsContact OD1-N 3.11Å; L151-W198 HydrophobicContact CB-CB 4.16Å; L151-W198 HydrophobicContact CB-CE3 4.16Å; L151-W198 HydrophobicContact CD1-CB 4.26Å; L151-S199 CarbonylContact C-O 3.53Å; L151-S199 WeakPolarHBondContact CA-O 3.5Å
152	T	98.2	Very high	97.6	Very high	28 Å²	28	51 Å²	51	17%	0.172	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	144.1	177.8	51.3	0	0	0	0	110	T154 W198 S199 N204	T152-T154 PolarHBondContact O-N 2.94Å; T152-W198 WeakPolarHBondContact O-CA 3.27Å; T152-S199 PolarHBondContact N-O 2.75Å; T152-S199 PolarHBondContact O-N 2.8Å; T152-S199 PolarHBondContact OG1-O 3.3Å; T152-N204 VanDerWaalsContact CG2-ND2 3.27Å; T152-N204 WeakPolarHBondContact CG2-ND2 3.36Å
153	L	98.2	Very high	97.6	Very high	96 Å²	96	51 Å²	51	50%	0.503	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	133.4	175.3	-72.2	170.6	0	0	0	111.3	S197 W198 K226	L153-S197 WeakPolarHBondContact CA-O 3.22Å; L153-S197 WeakPolarHBondContact CD2-O 3.27Å; L153-W198 HydrophobicContact CB-CZ3 4.5Å; L153-W198 HydrophobicContact CD1-CH2 4.15Å; L153-W198 HydrophobicContact CD1-CZ3 4.49Å; L153-W198 HydrophobicContact CD2-CD2 3.69Å; L153-W198 VanDerWaalsContact CD2-CE2 3.47Å; L153-W198 HydrophobicContact CD2-CE3 3.84Å; L153-W198 HydrophobicContact CD2-CG 4.46Å; L153-W198 HydrophobicContact CD2-CH2 3.61Å; L153-W198 HydrophobicContact CD2-CZ2 3.44Å; L153-W198 VanDerWaalsContact CD2-CZ2 3.44Å; L153-W198 HydrophobicContact CD2-CZ3 3.82Å; L153-W198 HydrophobicContact CG-CD2 4.3Å; L153-W198 HydrophobicContact CG-CE3 3.92Å; L153-W198 HydrophobicContact CG-CH2 3.58Å; L153-W198 HydrophobicContact CG-CZ2 3.98Å; L153-W198 HydrophobicContact CG-CZ3 3.56Å; L153-K226 PolarHBondContact O-NZ 3.33Å
154	T	98	Very high	97.6	Very high	11 Å²	11	54.9 Å²	54.9	7%	0.067	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	150	174.6	50.4	0	0	0	0	111.5	T152 T156 S197 S199 D223 K226 F228	T152-T154 PolarHBondContact O-N 2.94Å; T154-T156 VanDerWaalsContact C-N 3.25Å; T154-T156 PolarHBondContact O-N 3.3Å; T154-T156 PolarHBondContact OG1-OG1 3.33Å; T154-S197 PolarHBondContact N-O 2.84Å; T154-S199 PolarHBondContact OG1-OG 2.76Å; T154-D223 WeakPolarHBondContact CA-OD2 3.45Å; T154-D223 WeakPolarHBondContact CB-OD2 3.38Å; T154-K226 HydrophobicContact CG2-CB 4.35Å; T154-F228 HydrophobicContact CG2-CD1 4.16Å
155	K	96.2	Very high	97.6	Very high	140 Å²	140	56.3 Å²	56.3	61%	0.609	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	62.3	179.8	-65.7	174.9	-179.8	169.4	0	111.5	D223 E225	K155-D223 HydrophobicContact CB-CB 4.22Å; K155-D223 PolarHBondContact N-OD2 3.04Å; K155-E225 IonicContact NZ-OE1 3.91Å; K155-E225 PolarHBondContact NZ-OE1 3.26Å
156	T	95.9	Very high	97.6	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	24.6	-167.7	42.4	0	0	0	0	113.3	T154 A158 V159 N194 H196 D223 F228	T154-T156 VanDerWaalsContact C-N 3.25Å; T154-T156 PolarHBondContact O-N 3.3Å; T154-T156 PolarHBondContact OG1-OG1 3.33Å; T156-A158 PolarHBondContact O-N 2.95Å; T156-V159 HydrophobicContact CG2-CG2 4.46Å; T156-N194 CarbonylContact O-C 3.14Å; T156-N194 VanDerWaalsContact O-C 3.3Å; T156-N194 VanDerWaalsContact O-O 3.08Å; T156-H196 CarbonylContact C-O 3.57Å; T156-H196 VanDerWaalsContact CB-CE1 3.42Å; T156-H196 WeakPolarHBondContact CB-CE1 3.11Å; T156-H196 PolarHBondContact O-N 3.16Å; T156-H196 PolarHBondContact OG1-CE1 3.16Å; T156-H196 PolarHBondContact OG1-ND1 3.48Å; T156-H196 PolarHBondContact OG1-O 2.98Å; T156-D223 HydrophobicContact CG2-CB 3.93Å; T156-F228 HydrophobicContact CG2-CE1 3.76Å; T156-F228 HydrophobicContact CG2-CZ 3.75Å
157	K	92.4	Very high	97.5	Very high	147 Å²	147	62.6 Å²	62.6	64%	0.639	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.6	112.1	173	-57.7	-162.9	-157.8	-145	0	109.8	H196 S197	K157-H196 PolarHBondContact N-O 2.79Å; K157-S197 WeakPolarHBondContact CE-OG 3.42Å; K157-S197 PolarHBondContact NZ-OG 3.34Å
158	A	94.6	Very high	97.5	Very high	18 Å²	18	53.8 Å²	53.8	15%	0.149	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	65.2	52.8	175.1	0	0	0	0	0	114.3	T156 N194 F195 K256 G258	T156-A158 PolarHBondContact O-N 2.95Å; A158-N194 VanDerWaalsContact CA-O 3.23Å; A158-N194 WeakPolarHBondContact CA-O 3.29Å; A158-N194 PolarHBondContact N-O 2.85Å; A158-F195 HydrophobicContact CB-CD1 3.81Å; A158-F195 HydrophobicContact CB-CE1 3.42Å; A158-F195 VanDerWaalsContact CB-CE1 3.42Å; A158-F195 HydrophobicContact CB-CZ 4.13Å; A158-K256 HydrophobicContact CB-CB 4.25Å; A158-K256 HydrophobicContact CB-CD 4.2Å; A158-G258 PolarHBondContact O-N 3.03Å
159	V	97.6	Very high	97.4	Very high	48 Å²	48	47.3 Å²	47.3	29%	0.291	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.9	172.2	-61	0	0	0	0	110.7	T156 L161 N194 G258	T156-V159 HydrophobicContact CG2-CG2 4.46Å; V159-L161 HydrophobicContact CG2-CD1 4.15Å; V159-L161 HydrophobicContact CG2-CD2 4.47Å; V159-L161 HydrophobicContact CG2-CG 4.1Å; V159-N194 HydrophobicContact CG2-CB 3.87Å; V159-N194 PolarHBondContact N-O 2.95Å; V159-N194 WeakPolarHBondContact O-CA 3.38Å; V159-N194 WeakPolarHBondContact O-CB 3.28Å; V159-N194 PolarHBondContact O-N 3.13Å; V159-G258 VanDerWaalsContact C-CA 3.44Å
160	A	98	Very high	97	Very high	16 Å²	16	52.3 Å²	52.3	13%	0.132	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	129.6	172.3	0	0	0	0	0	109.4	N190 T192 V260	A160-N190 HydrophobicContact CB-CB 4.2Å; A160-N190 WeakPolarHBondContact CB-O 3.45Å; A160-N190 WeakPolarHBondContact O-CB 3.37Å; A160-T192 WeakPolarHBondContact CA-O 3.33Å; A160-V260 HydrophobicContact CB-CG2 3.34Å
161	L	98.4	Very high	96.7	Very high	31 Å²	31	54.8 Å²	54.8	16%	0.162	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	152.4	-175	-62.9	175.4	0	0	0	110.8	V159 I191 T192 N221 F228	V159-L161 HydrophobicContact CG2-CD1 4.15Å; V159-L161 HydrophobicContact CG2-CD2 4.47Å; V159-L161 HydrophobicContact CG2-CG 4.1Å; L161-I191 PolarHBondContact O-N 2.99Å; L161-T192 PolarHBondContact N-O 3.49Å; L161-T192 VanDerWaalsContact N-O 3.08Å; L161-T192 WeakPolarHBondContact O-CB 3.36Å; L161-T192 PolarHBondContact O-N 3.39Å; L161-T192 PolarHBondContact O-OG1 3.12Å; L161-N221 HydrophobicContact CD1-CB 4.09Å; L161-F228 HydrophobicContact CD1-CZ 4.31Å
162	P	98.4	Very high	96.6	Very high	31 Å²	31	53.9 Å²	53.9	20%	0.201	29%	0.294	C	S	.	.			trans	-75.2	176.5	161.6	32.5	-23.2	0	0	0	108.7	L186 E189 N190 N221	P162-L186 CarbonylContact C-O 3.41Å; P162-L186 WeakPolarHBondContact CA-O 3.4Å; P162-E189 WeakPolarHBondContact CA-O 3.25Å; P162-E189 WeakPolarHBondContact CB-O 3.29Å; P162-N190 WeakPolarHBondContact CD-OD1 3.35Å; P162-N221 PolarHBondContact O-ND2 3.05Å
163	L	98.7	Very high	96.6	Very high	2 Å²	2	56 Å²	56	1%	0.01	30%	0.299	C	S	.	.			trans	-104	124.4	170	-64.4	-169.6	0	0	0	110.4	L165 F175 L186 T192 W244	L163-L165 HydrophobicContact CB-CD2 4.03Å; L163-L165 PolarHBondContact O-N 2.94Å; L163-L165 VanDerWaalsContact O-N 3.08Å; L163-F175 HydrophobicContact CD1-CZ 4Å; L163-L186 HydrophobicContact CD1-CD2 3.79Å; L163-L186 HydrophobicContact CG-CD2 4.05Å; L163-L186 PolarHBondContact N-O 2.83Å; L163-T192 HydrophobicContact CD1-CG2 4.43Å; L163-T192 HydrophobicContact CD2-CG2 3.85Å; L163-T192 HydrophobicContact CG-CG2 3.88Å; L163-W244 HydrophobicContact CD1-CZ2 4.12Å
164	I	98.6	Very high	96.6	Very high	93 Å²	93	51.5 Å²	51.5	48%	0.477	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	95.5	169.1	-54.3	173.3	0	0	0	107	S219 T220	I164-S219 CarbonylContact O-C 3.54Å; I164-S219 WeakPolarHBondContact O-CA 3.42Å; I164-S219 WeakPolarHBondContact O-CB 3.49Å; I164-T220 VanDerWaalsContact CB-O 3.31Å; I164-T220 WeakPolarHBondContact CB-O 3.44Å; I164-T220 PolarHBondContact N-O 2.82Å; I164-T220 PolarHBondContact O-N 2.88Å
165	L	98.4	Very high	96.6	Very high	54 Å²	54	51.2 Å²	51.2	28%	0.283	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	130.6	-177.2	-61.3	-178.8	0	0	0	111.1	L163 A169 F175 L183 A187	L163-L165 HydrophobicContact CB-CD2 4.03Å; L163-L165 PolarHBondContact O-N 2.94Å; L163-L165 VanDerWaalsContact O-N 3.08Å; L165-A169 HydrophobicContact CB-CB 4.13Å; L165-A169 HydrophobicContact CD2-CB 4.19Å; L165-F175 HydrophobicContact CD2-CD2 4.46Å; L165-F175 HydrophobicContact CD2-CE2 4.05Å; L165-F175 HydrophobicContact CD2-CZ 4.48Å; L165-L183 HydrophobicContact CD1-CD1 3.71Å; L165-L183 HydrophobicContact CD1-CD2 4.31Å; L165-L183 HydrophobicContact CD1-CG 3.83Å; L165-L183 HydrophobicContact CD2-CD1 4.47Å; L165-A187 HydrophobicContact CD1-CB 4.19Å; L165-A187 HydrophobicContact CG-CB 4.47Å
166	T	98.3	Very high	96.5	Very high	31 Å²	31	54.5 Å²	54.5	19%	0.19	28%	0.281	C	S	.	.			trans	-81.3	163.3	171.1	68.3	0	0	0	0	110.6	A168 A169 V217 L218 T220	T166-A168 PolarHBondContact O-N 3.45Å; T166-A168 VanDerWaalsContact O-N 3.07Å; T166-A168 PolarHBondContact OG1-N 3.35Å; T166-A169 VanDerWaalsContact O-CB 3.26Å; T166-A169 WeakPolarHBondContact O-CB 3.42Å; T166-A169 PolarHBondContact O-N 2.83Å; T166-V217 HydrophobicContact CG2-CG1 4.02Å; T166-V217 PolarHBondContact OG1-O 2.93Å; T166-L218 PolarHBondContact N-O 3.45Å; T166-L218 PolarHBondContact OG1-O 2.67Å; T166-T220 HydrophobicContact CG2-CG2 4.33Å
167	P	96.8	Very high	96	Very high	116 Å²	116	57.6 Å²	57.6	75%	0.753	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-55.6	-28.2	173.4	-27.1	35.9	0	0	0	113.7	A169	P167-A169 VanDerWaalsContact C-N 3.25Å; P167-A169 PolarHBondContact O-N 3.08Å
168	A	96.8	Very high	96.2	Very high	24 Å²	24	51.2 Å²	51.2	20%	0.198	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-66.6	-23	177.9	0	0	0	0	0	113.8	T166 Q170 S171 S172 R216 V217 L218	T166-A168 PolarHBondContact O-N 3.45Å; T166-A168 VanDerWaalsContact O-N 3.07Å; T166-A168 PolarHBondContact OG1-N 3.35Å; A168-Q170 VanDerWaalsContact C-N 3.31Å; A168-Q170 PolarHBondContact O-N 2.8Å; A168-S171 PolarHBondContact O-N 2.88Å; A168-S172 PolarHBondContact O-N 2.82Å; A168-R216 HydrophobicContact CB-CG 3.65Å; A168-V217 WeakPolarHBondContact CB-O 3.46Å; A168-L218 HydrophobicContact CB-CD2 4.35Å
169	A	96.6	Very high	96.3	Very high	1 Å²	1	52 Å²	52	1%	0.008	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-59.8	-39.4	179.6	0	0	0	0	0	112.5	L165 T166 P167 S171 S172 F175	L165-A169 HydrophobicContact CB-CB 4.13Å; L165-A169 HydrophobicContact CD2-CB 4.19Å; T166-A169 VanDerWaalsContact O-CB 3.26Å; T166-A169 WeakPolarHBondContact O-CB 3.42Å; T166-A169 PolarHBondContact O-N 2.83Å; P167-A169 VanDerWaalsContact C-N 3.25Å; P167-A169 PolarHBondContact O-N 3.08Å; A169-S171 VanDerWaalsContact C-N 3.26Å; A169-S171 PolarHBondContact O-N 3.46Å; A169-S172 VanDerWaalsContact O-CB 3.28Å; A169-S172 WeakPolarHBondContact O-CB 3.14Å; A169-S172 PolarHBondContact O-N 3.28Å; A169-S172 PolarHBondContact O-OG 2.86Å; A169-F175 HydrophobicContact CB-CD2 3.88Å; A169-F175 HydrophobicContact CB-CE2 4.44Å
170	Q	89.4	Confident	96.2	Very high	166 Å²	166	60.7 Å²	60.7	78%	0.776	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-62.8	-31.5	-175.6	-64.5	-179.3	3	0	0	113.3	A168	A168-Q170 VanDerWaalsContact C-N 3.31Å; A168-Q170 PolarHBondContact O-N 2.8Å
171	S	92.3	Very high	96.2	Very high	76 Å²	76	63.5 Å²	63.5	53%	0.531	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-107.7	16.8	177.6	61.4	0	0	0	0	112.5	A168 A169 R216	A168-S171 PolarHBondContact O-N 2.88Å; A169-S171 VanDerWaalsContact C-N 3.26Å; A169-S171 PolarHBondContact O-N 3.46Å; S171-R216 PolarHBondContact O-NH1 2.98Å; S171-R216 VanDerWaalsContact O-NH1 3.17Å; S171-R216 PolarHBondContact O-NH2 2.92Å; S171-R216 VanDerWaalsContact O-NH2 3.07Å; S171-R216 PolarHBondContact OG-NH1 3.48Å; S171-R216 VanDerWaalsContact OG-NH1 3.14Å
172	S	97.7	Very high	96.1	Very high	1 Å²	1	62.1 Å²	62.1	1%	0.007	31%	0.312	C	S	.	.			trans	-72.8	154.9	178.4	70.7	0	0	0	0	112.1	A168 A169 F175 R176 L218 E233	A168-S172 PolarHBondContact O-N 2.82Å; A169-S172 VanDerWaalsContact O-CB 3.28Å; A169-S172 WeakPolarHBondContact O-CB 3.14Å; A169-S172 PolarHBondContact O-N 3.28Å; A169-S172 PolarHBondContact O-OG 2.86Å; S172-F175 WeakPolarHBondContact OG-CB 3.21Å; S172-F175 PolarHBondContact OG-N 3.44Å; S172-R176 WeakPolarHBondContact O-CB 3.48Å; S172-R176 PolarHBondContact O-N 2.95Å; S172-L218 VanDerWaalsContact CB-CD2 3.47Å; S172-E233 WeakPolarHBondContact CA-OE1 3.21Å; S172-E233 WeakPolarHBondContact CB-OE1 3.28Å
173	R	98.2	Very high	96	Very high	74 Å²	74	62.4 Å²	62.4	28%	0.279	31%	0.312	S	S	.	.	H	α-helix	trans	-70.1	-44	170.3	-65.2	-175.2	-58.6	-81.8	-7.1	109.5	E233 A234 Y235 Y237 Y240 F275	R173-E233 PolarHBondContact N-OE1 2.83Å; R173-E233 PolarHBondContact N-OE2 3.05Å; R173-E233 VanDerWaalsContact N-OE2 3.08Å; R173-A234 PolarHBondContact NH1-O 2.77Å; R173-A234 PolarHBondContact NH2-O 3.29Å; R173-Y235 PolarHBondContact NH1-O 3.11Å; R173-Y237 PolarHBondContact NH2-O 2.62Å; R173-Y240 HydrophobicContact CB-CE1 4.35Å; R173-Y240 PolarHBondContact NE-OH 2.97Å; R173-F275 VanDerWaalsContact C-CE2 3.44Å; R173-F275 HydrophobicContact CB-CE2 4.22Å; R173-F275 HydrophobicContact CB-CZ 4.19Å; R173-F275 WeakPolarHBondContact O-CE2 3.4Å
174	L	98.1	Very high	95.9	Very high	1 Å²	1	68.3 Å²	68.3	1%	0.005	34%	0.339	C	S	.	.	H	α-helix	trans	-58.1	-57.6	-178.8	178.3	61.7	0	0	0	113.3	W132 S177 F178 L218 T231 E233 F275	W132-L174 HydrophobicContact CH2-CD1 3.85Å; W132-L174 HydrophobicContact CH2-CD2 4.41Å; W132-L174 HydrophobicContact CZ3-CD1 3.88Å; L174-S177 PolarHBondContact O-OG 3.07Å; L174-F178 HydrophobicContact CD1-CE1 4.32Å; L174-F178 VanDerWaalsContact O-CD1 3.26Å; L174-F178 WeakPolarHBondContact O-CD1 3.09Å; L174-F178 VanDerWaalsContact O-CE1 3.28Å; L174-F178 WeakPolarHBondContact O-CE1 3.39Å; L174-L218 HydrophobicContact CB-CD1 3.97Å; L174-L218 HydrophobicContact CD2-CD1 4.05Å; L174-T231 HydrophobicContact CD2-CG2 3.49Å; L174-T231 VanDerWaalsContact CD2-CG2 3.49Å; L174-E233 PolarHBondContact N-OE2 3Å; L174-F275 HydrophobicContact CB-CD1 4.49Å; L174-F275 HydrophobicContact CB-CE1 4.13Å; L174-F275 HydrophobicContact CB-CZ 4.19Å; L174-F275 HydrophobicContact CD1-CB 4.19Å; L174-F275 HydrophobicContact CD1-CD1 3.16Å; L174-F275 HydrophobicContact CD1-CD2 4.42Å; L174-F275 HydrophobicContact CD1-CE1 3.55Å; L174-F275 HydrophobicContact CD1-CG 3.65Å; L174-F275 HydrophobicContact CD1-CZ 4.32Å; L174-F275 HydrophobicContact CG-CD1 4.4Å; L174-F275 HydrophobicContact CG-CE1 4.45Å
175	F	97.8	Very high	95.9	Very high	5 Å²	5	64.7 Å²	64.7	2%	0.022	32%	0.322	C	S	.	.	H	α-helix	trans	-88.4	-11.2	-171.3	-62.1	-51.5	0	0	0	114.3	L163 L165 A169 S172 S177 F178 L183 L186 L218 T231	L163-F175 HydrophobicContact CD1-CZ 4Å; L165-F175 HydrophobicContact CD2-CD2 4.46Å; L165-F175 HydrophobicContact CD2-CE2 4.05Å; L165-F175 HydrophobicContact CD2-CZ 4.48Å; A169-F175 HydrophobicContact CB-CD2 3.88Å; A169-F175 HydrophobicContact CB-CE2 4.44Å; S172-F175 WeakPolarHBondContact OG-CB 3.21Å; S172-F175 PolarHBondContact OG-N 3.44Å; F175-S177 PolarHBondContact O-N 3.2Å; F175-F178 HydrophobicContact CD1-CD1 4.45Å; F175-F178 HydrophobicContact CD1-CD2 4.14Å; F175-F178 HydrophobicContact CD1-CE1 4.42Å; F175-F178 HydrophobicContact CD1-CE2 4.11Å; F175-F178 HydrophobicContact CD1-CG 4.32Å; F175-F178 HydrophobicContact CD1-CZ 4.25Å; F175-F178 HydrophobicContact CE1-CE2 4.29Å; F175-F178 HydrophobicContact CE1-CZ 4.47Å; F175-F178 WeakPolarHBondContact O-CB 3.48Å; F175-F178 PolarHBondContact O-N 3.08Å; F175-F178 VanDerWaalsContact O-N 3.15Å; F175-L183 HydrophobicContact CB-CD1 3.96Å; F175-L183 HydrophobicContact CD1-CD1 3.98Å; F175-L183 HydrophobicContact CG-CD1 3.95Å; F175-L186 HydrophobicContact CD1-CD1 4.49Å; F175-L186 HydrophobicContact CE1-CD1 4.07Å; F175-L218 HydrophobicContact CD2-CB 4.16Å; F175-L218 HydrophobicContact CD2-CD1 4.09Å; F175-L218 HydrophobicContact CE2-CB 3.72Å; F175-L218 HydrophobicContact CE2-CD1 4.07Å; F175-T231 HydrophobicContact CE2-CG2 4.03Å; F175-T231 HydrophobicContact CZ-CG2 3.78Å
176	R	93.4	Very high	95.8	Very high	209 Å²	209	62.1 Å²	62.1	79%	0.789	31%	0.309	S	S	*	.	H	α-helix	trans	-65.7	-26.9	178.1	176	177.9	177.3	-167	-0.3	112.9	S172 F178	S172-R176 WeakPolarHBondContact O-CB 3.48Å; S172-R176 PolarHBondContact O-N 2.95Å; R176-F178 VanDerWaalsContact C-N 3.32Å
177	S	86.6	Confident	95.8	Very high	65 Å²	65	62.4 Å²	62.4	46%	0.455	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.6	176.7	58.2	0	0	0	0	113.5	L174 F175	L174-S177 PolarHBondContact O-OG 3.07Å; F175-S177 PolarHBondContact O-N 3.2Å
178	F	95.4	Very high	95.9	Very high	14 Å²	14	62 Å²	62	6%	0.061	31%	0.305	C	S	.	.	S	Bend	trans	-79.4	136.8	-175.7	-78	42.1	0	0	0	109.9	L174 F175 R176 V182 L186 F275	L174-F178 HydrophobicContact CD1-CE1 4.32Å; L174-F178 VanDerWaalsContact O-CD1 3.26Å; L174-F178 WeakPolarHBondContact O-CD1 3.09Å; L174-F178 VanDerWaalsContact O-CE1 3.28Å; L174-F178 WeakPolarHBondContact O-CE1 3.39Å; F175-F178 HydrophobicContact CD1-CD1 4.45Å; F175-F178 HydrophobicContact CD1-CD2 4.14Å; F175-F178 HydrophobicContact CD1-CE1 4.42Å; F175-F178 HydrophobicContact CD1-CE2 4.11Å; F175-F178 HydrophobicContact CD1-CG 4.32Å; F175-F178 HydrophobicContact CD1-CZ 4.25Å; F175-F178 HydrophobicContact CE1-CE2 4.29Å; F175-F178 HydrophobicContact CE1-CZ 4.47Å; F175-F178 WeakPolarHBondContact O-CB 3.48Å; F175-F178 PolarHBondContact O-N 3.08Å; F175-F178 VanDerWaalsContact O-N 3.15Å; R176-F178 VanDerWaalsContact C-N 3.32Å; F178-V182 HydrophobicContact CD2-CG1 3.86Å; F178-V182 HydrophobicContact CE2-CG1 4.46Å; F178-L186 HydrophobicContact CD2-CD1 3.91Å; F178-L186 HydrophobicContact CE2-CD1 3.83Å; F178-F275 HydrophobicContact CE1-CB 4.36Å
179	P	96.8	Very high	96	Very high	34 Å²	34	64 Å²	64	22%	0.221	31%	0.31	C	S	.	.			trans	-56.3	146.5	168.2	-24.4	33.6	0	0	0	111.2	D181 V182 L183 Y271	P179-D181 VanDerWaalsContact C-N 3.27Å; P179-D181 WeakPolarHBondContact CB-OD1 3.39Å; P179-D181 PolarHBondContact O-N 3.05Å; P179-V182 HydrophobicContact CB-CB 4.35Å; P179-V182 HydrophobicContact CB-CG2 3.96Å; P179-V182 HydrophobicContact CG-CG2 4Å; P179-V182 WeakPolarHBondContact O-CB 3.33Å; P179-V182 PolarHBondContact O-N 2.72Å; P179-V182 VanDerWaalsContact O-N 3.1Å; P179-L183 PolarHBondContact O-N 3.46Å; P179-Y271 HydrophobicContact CG-CD1 4.3Å; P179-Y271 HydrophobicContact CG-CE1 3.56Å; P179-Y271 HydrophobicContact CG-CE2 3.9Å; P179-Y271 WeakPolarHBondContact CG-OH 3.38Å
180	R	95.6	Very high	96.1	Very high	231 Å²	231	68.7 Å²	68.7	87%	0.872	34%	0.336	S	S	*	.	H	α-helix	trans	-57.9	-40.3	-175.8	-70	-175.9	179.5	177.3	0.2	112.6	L183 Q184	R180-L183 PolarHBondContact O-N 3.2Å; R180-Q184 WeakPolarHBondContact O-CB 3.37Å; R180-Q184 PolarHBondContact O-N 2.91Å
181	D	97.4	Very high	96.5	Very high	74 Å²	74	61 Å²	61	40%	0.396	30%	0.3	S	S	.	.	H	α-helix	trans	-67.1	-38.7	178.5	64.2	-48.9	0	0	0	112	P179 Q184 S185 R267	P179-D181 VanDerWaalsContact C-N 3.27Å; P179-D181 WeakPolarHBondContact CB-OD1 3.39Å; P179-D181 PolarHBondContact O-N 3.05Å; D181-Q184 PolarHBondContact O-N 2.74Å; D181-S185 PolarHBondContact O-N 3.33Å; D181-S185 PolarHBondContact O-OG 3.07Å; D181-R267 IonicContact OD1-NH2 3.96Å; D181-R267 IonicContact OD2-CZ 3.35Å; D181-R267 IonicContact OD2-NH1 2.95Å; D181-R267 PolarHBondContact OD2-NH1 3.15Å; D181-R267 IonicContact OD2-NH2 3.66Å; D181-R267 PolarHBondContact OD2-NH2 3.35Å
182	V	97	Very high	96.7	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.012	28%	0.275	C	S	.	.	H	α-helix	trans	-63.8	-44.1	174.8	178.1	0	0	0	0	111	F178 P179 Q184 S185 L186 I268 Y271	F178-V182 HydrophobicContact CD2-CG1 3.86Å; F178-V182 HydrophobicContact CE2-CG1 4.46Å; P179-V182 HydrophobicContact CB-CB 4.35Å; P179-V182 HydrophobicContact CB-CG2 3.96Å; P179-V182 HydrophobicContact CG-CG2 4Å; P179-V182 WeakPolarHBondContact O-CB 3.33Å; P179-V182 PolarHBondContact O-N 2.72Å; P179-V182 VanDerWaalsContact O-N 3.1Å; V182-Q184 VanDerWaalsContact C-N 3.28Å; V182-Q184 PolarHBondContact O-N 3.44Å; V182-S185 PolarHBondContact O-N 3.11Å; V182-L186 PolarHBondContact O-N 3.42Å; V182-I268 HydrophobicContact CG1-CG1 3.76Å; V182-Y271 HydrophobicContact CB-CD2 4.46Å; V182-Y271 HydrophobicContact CG1-CD2 4.02Å; V182-Y271 HydrophobicContact CG2-CD2 3.84Å; V182-Y271 HydrophobicContact CG2-CE2 3.76Å
183	L	96.2	Very high	96.8	Very high	38 Å²	38	57.4 Å²	57.4	20%	0.199	28%	0.275	C	S	.	.	H	α-helix	trans	-66.2	-33.7	176.7	-168.4	64.7	0	0	0	111.8	L165 F175 P179 R180 L186 A187	L165-L183 HydrophobicContact CD1-CD1 3.71Å; L165-L183 HydrophobicContact CD1-CD2 4.31Å; L165-L183 HydrophobicContact CD1-CG 3.83Å; L165-L183 HydrophobicContact CD2-CD1 4.47Å; F175-L183 HydrophobicContact CB-CD1 3.96Å; F175-L183 HydrophobicContact CD1-CD1 3.98Å; F175-L183 HydrophobicContact CG-CD1 3.95Å; P179-L183 PolarHBondContact O-N 3.46Å; R180-L183 PolarHBondContact O-N 3.2Å; L183-L186 HydrophobicContact CD1-CD1 4.29Å; L183-L186 WeakPolarHBondContact O-CB 3.39Å; L183-L186 PolarHBondContact O-N 2.75Å; L183-A187 PolarHBondContact O-N 2.81Å; L183-A187 VanDerWaalsContact O-N 3.12Å
184	Q	97.4	Very high	96.8	Very high	126 Å²	126	53.9 Å²	53.9	59%	0.589	26%	0.261	S	S	*	.	H	α-helix	trans	-69.6	-41	175.8	-172	158.9	9.7	0	0	112.2	R180 D181 V182 L186 A187 N188	R180-Q184 WeakPolarHBondContact O-CB 3.37Å; R180-Q184 PolarHBondContact O-N 2.91Å; D181-Q184 PolarHBondContact O-N 2.74Å; V182-Q184 VanDerWaalsContact C-N 3.28Å; V182-Q184 PolarHBondContact O-N 3.44Å; Q184-L186 VanDerWaalsContact C-N 3.35Å; Q184-A187 PolarHBondContact O-N 3.43Å; Q184-N188 WeakPolarHBondContact CG-ND2 3.43Å; Q184-N188 WeakPolarHBondContact O-CB 3.38Å; Q184-N188 PolarHBondContact O-N 3.4Å; Q184-N188 VanDerWaalsContact O-N 3.13Å; Q184-N188 PolarHBondContact O-ND2 2.8Å
185	S	98.3	Very high	96.8	Very high	17 Å²	17	55.7 Å²	55.7	12%	0.119	27%	0.269	C	S	.	.	H	α-helix	trans	-60.7	-43.9	171.2	-72.5	0	0	0	0	111.4	D181 V182 A187 N188 E189 I191 S264	D181-S185 PolarHBondContact O-N 3.33Å; D181-S185 PolarHBondContact O-OG 3.07Å; V182-S185 PolarHBondContact O-N 3.11Å; S185-A187 PolarHBondContact O-N 3.2Å; S185-N188 PolarHBondContact O-N 2.82Å; S185-E189 WeakPolarHBondContact CB-OE1 3.49Å; S185-E189 WeakPolarHBondContact O-CB 3.31Å; S185-E189 PolarHBondContact O-N 2.87Å; S185-E189 PolarHBondContact OG-OE1 3.32Å; S185-I191 WeakPolarHBondContact O-CD1 3.13Å; S185-S264 PolarHBondContact OG-OG 3.23Å
186	L	97	Very high	96.8	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-54.7	-40	174.5	-89.4	169	0	0	0	112.5	P162 L163 F175 F178 V182 L183 Q184 T192 I268	P162-L186 CarbonylContact C-O 3.41Å; P162-L186 WeakPolarHBondContact CA-O 3.4Å; L163-L186 HydrophobicContact CD1-CD2 3.79Å; L163-L186 HydrophobicContact CG-CD2 4.05Å; L163-L186 PolarHBondContact N-O 2.83Å; F175-L186 HydrophobicContact CD1-CD1 4.49Å; F175-L186 HydrophobicContact CE1-CD1 4.07Å; F178-L186 HydrophobicContact CD2-CD1 3.91Å; F178-L186 HydrophobicContact CE2-CD1 3.83Å; V182-L186 PolarHBondContact O-N 3.42Å; L183-L186 HydrophobicContact CD1-CD1 4.29Å; L183-L186 WeakPolarHBondContact O-CB 3.39Å; L183-L186 PolarHBondContact O-N 2.75Å; Q184-L186 VanDerWaalsContact C-N 3.35Å; L186-T192 HydrophobicContact CD2-CG2 3.77Å; L186-I268 HydrophobicContact CB-CD1 4.46Å; L186-I268 HydrophobicContact CD1-CD1 4.47Å; L186-I268 HydrophobicContact CD1-CG1 4.19Å; L186-I268 HydrophobicContact CD1-CG2 4.38Å; L186-I268 HydrophobicContact CD2-CB 4.5Å; L186-I268 HydrophobicContact CD2-CD1 3.54Å; L186-I268 HydrophobicContact CD2-CG1 3.99Å; L186-I268 HydrophobicContact CD2-CG2 3.73Å; L186-I268 HydrophobicContact CG-CD1 3.48Å; L186-I268 VanDerWaalsContact CG-CD1 3.48Å; L186-I268 HydrophobicContact CG-CG1 3.71Å; L186-I268 HydrophobicContact CG-CG2 4.23Å
187	A	97.8	Very high	97	Very high	36 Å²	36	46.9 Å²	46.9	30%	0.298	24%	0.239	S	C	.	.	H	α-helix	trans	-77.7	-26	-177.1	0	0	0	0	0	114	L165 L183 Q184 S185	L165-A187 HydrophobicContact CD1-CB 4.19Å; L165-A187 HydrophobicContact CG-CB 4.47Å; L183-A187 PolarHBondContact O-N 2.81Å; L183-A187 VanDerWaalsContact O-N 3.12Å; Q184-A187 PolarHBondContact O-N 3.43Å; S185-A187 PolarHBondContact O-N 3.2Å
188	N	98.3	Very high	97.5	Very high	108 Å²	108	49 Å²	49	58%	0.578	24%	0.237	S	C	*	.	H	α-helix	trans	-116.6	-21.4	-166.8	-64.2	-40	0	0	0	114.8	Q184 S185	Q184-N188 WeakPolarHBondContact CG-ND2 3.43Å; Q184-N188 WeakPolarHBondContact O-CB 3.38Å; Q184-N188 PolarHBondContact O-N 3.4Å; Q184-N188 VanDerWaalsContact O-N 3.13Å; Q184-N188 PolarHBondContact O-ND2 2.8Å; S185-N188 PolarHBondContact O-N 2.82Å
189	E	98.4	Very high	97.7	Very high	65 Å²	65	48.3 Å²	48.3	30%	0.304	24%	0.235	S	C	.	.	S	Bend	trans	-111	146.1	-174.3	-58.4	172	-140.9	0	0	111.2	P162 S185 I191 S264	P162-E189 WeakPolarHBondContact CA-O 3.25Å; P162-E189 WeakPolarHBondContact CB-O 3.29Å; S185-E189 WeakPolarHBondContact CB-OE1 3.49Å; S185-E189 WeakPolarHBondContact O-CB 3.31Å; S185-E189 PolarHBondContact O-N 2.87Å; S185-E189 PolarHBondContact OG-OE1 3.32Å; E189-I191 VanDerWaalsContact C-N 3.27Å; E189-I191 HydrophobicContact CB-CD1 3.86Å; E189-I191 HydrophobicContact CB-CG1 4.14Å; E189-I191 HydrophobicContact CB-CG2 3.75Å; E189-I191 WeakPolarHBondContact O-CG1 3.4Å; E189-I191 PolarHBondContact O-N 2.66Å; E189-S264 PolarHBondContact OE1-OG 2.81Å; E189-S264 VanDerWaalsContact OE2-CB 3.28Å; E189-S264 WeakPolarHBondContact OE2-CB 3.45Å; E189-S264 PolarHBondContact OE2-OG 3.37Å; E189-S264 VanDerWaalsContact OE2-OG 3.13Å
190	N	98.3	Very high	97.8	Very high	100 Å²	100	46.7 Å²	46.7	54%	0.535	22%	0.224	S	C	.	.	S	Bend	trans	-77.1	75.9	175.8	-68.4	-1.8	0	0	0	110.5	A160 P162	A160-N190 HydrophobicContact CB-CB 4.2Å; A160-N190 WeakPolarHBondContact CB-O 3.45Å; A160-N190 WeakPolarHBondContact O-CB 3.37Å; P162-N190 WeakPolarHBondContact CD-OD1 3.35Å
191	I	97.8	Very high	97.9	Very high	6 Å²	6	36 Å²	36	3%	0.031	19%	0.185	C	C	.	.			trans	-126	3.3	-169.5	59	-172.5	0	0	0	114.7	L161 S185 E189 V260 T262 A265 I268	L161-I191 PolarHBondContact O-N 2.99Å; S185-I191 WeakPolarHBondContact O-CD1 3.13Å; E189-I191 VanDerWaalsContact C-N 3.27Å; E189-I191 HydrophobicContact CB-CD1 3.86Å; E189-I191 HydrophobicContact CB-CG1 4.14Å; E189-I191 HydrophobicContact CB-CG2 3.75Å; E189-I191 WeakPolarHBondContact O-CG1 3.4Å; E189-I191 PolarHBondContact O-N 2.66Å; I191-V260 HydrophobicContact CG2-CG1 4.13Å; I191-T262 WeakPolarHBondContact CG2-OG1 3.25Å; I191-A265 HydrophobicContact CB-CB 3.87Å; I191-A265 HydrophobicContact CG2-CB 4.16Å; I191-I268 HydrophobicContact CB-CD1 4.5Å; I191-I268 HydrophobicContact CD1-CD1 3.05Å; I191-I268 HydrophobicContact CD1-CG1 4.49Å; I191-I268 HydrophobicContact CG1-CD1 3.57Å
192	T	98.4	Very high	98	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	117.4	171.7	70.3	0	0	0	0	111.1	A160 L161 L163 L186 N194 W244	A160-T192 WeakPolarHBondContact CA-O 3.33Å; L161-T192 PolarHBondContact N-O 3.49Å; L161-T192 VanDerWaalsContact N-O 3.08Å; L161-T192 WeakPolarHBondContact O-CB 3.36Å; L161-T192 PolarHBondContact O-N 3.39Å; L161-T192 PolarHBondContact O-OG1 3.12Å; L163-T192 HydrophobicContact CD1-CG2 4.43Å; L163-T192 HydrophobicContact CD2-CG2 3.85Å; L163-T192 HydrophobicContact CG-CG2 3.88Å; L186-T192 HydrophobicContact CD2-CG2 3.77Å; T192-N194 PolarHBondContact O-N 2.87Å; T192-N194 PolarHBondContact O-ND2 2.99Å; T192-N194 PolarHBondContact OG1-ND2 2.89Å; T192-W244 HydrophobicContact CG2-CD2 3.82Å; T192-W244 HydrophobicContact CG2-CE3 3.79Å; T192-W244 HydrophobicContact CG2-CG 4.26Å; T192-W244 HydrophobicContact CG2-CZ3 4.13Å
193	S	98.3	Very high	98	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	115.2	-179	-72.7	0	0	0	0	111.9	W244 H245 G258	S193-W244 CarbonylContact O-C 3.3Å; S193-W244 WeakPolarHBondContact O-CA 3.3Å; S193-H245 PolarHBondContact O-N 2.86Å; S193-G258 WeakPolarHBondContact CA-O 3.09Å; S193-G258 VanDerWaalsContact CB-O 3.28Å; S193-G258 WeakPolarHBondContact CB-O 3.31Å; S193-G258 PolarHBondContact OG-O 2.86Å
194	N	98.6	Very high	98.2	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	120.1	176.4	-71.5	-101	0	0	0	110.1	T156 A158 V159 T192 H196	T156-N194 CarbonylContact O-C 3.14Å; T156-N194 VanDerWaalsContact O-C 3.3Å; T156-N194 VanDerWaalsContact O-O 3.08Å; A158-N194 VanDerWaalsContact CA-O 3.23Å; A158-N194 WeakPolarHBondContact CA-O 3.29Å; A158-N194 PolarHBondContact N-O 2.85Å; V159-N194 HydrophobicContact CG2-CB 3.87Å; V159-N194 PolarHBondContact N-O 2.95Å; V159-N194 WeakPolarHBondContact O-CA 3.38Å; V159-N194 WeakPolarHBondContact O-CB 3.28Å; V159-N194 PolarHBondContact O-N 3.13Å; T192-N194 PolarHBondContact O-N 2.87Å; T192-N194 PolarHBondContact O-ND2 2.99Å; T192-N194 PolarHBondContact OG1-ND2 2.89Å; N194-H196 PolarHBondContact OD1-NE2 3.21Å
195	F	97.8	Very high	98.2	Very high	38 Å²	38	34.3 Å²	34.3	17%	0.167	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	47.8	-178.2	-74.2	-91.7	0	0	0	111	A158 K248 K256 G258 M259	A158-F195 HydrophobicContact CB-CD1 3.81Å; A158-F195 HydrophobicContact CB-CE1 3.42Å; A158-F195 VanDerWaalsContact CB-CE1 3.42Å; A158-F195 HydrophobicContact CB-CZ 4.13Å; F195-K248 HydrophobicContact CD2-CD 3.83Å; F195-K248 HydrophobicContact CE2-CD 3.96Å; F195-K256 HydrophobicContact CE1-CB 4.21Å; F195-K256 HydrophobicContact CE1-CD 4.02Å; F195-K256 HydrophobicContact CZ-CB 4.34Å; F195-G258 WeakPolarHBondContact CE2-O 3.21Å; F195-M259 HydrophobicContact CE2-CE 4.42Å; F195-M259 HydrophobicContact CZ-CB 4.45Å; F195-M259 HydrophobicContact CZ-CE 4.2Å
196	H	97.8	Very high	98.2	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.028	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148	-175	58.5	85.5	0	0	0	111.8	T156 K157 N194 W198 S199 F228 Q243	T156-H196 CarbonylContact C-O 3.57Å; T156-H196 VanDerWaalsContact CB-CE1 3.42Å; T156-H196 WeakPolarHBondContact CB-CE1 3.11Å; T156-H196 PolarHBondContact O-N 3.16Å; T156-H196 PolarHBondContact OG1-CE1 3.16Å; T156-H196 PolarHBondContact OG1-ND1 3.48Å; T156-H196 PolarHBondContact OG1-O 2.98Å; K157-H196 PolarHBondContact N-O 2.79Å; N194-H196 PolarHBondContact OD1-NE2 3.21Å; H196-W198 PolarHBondContact ND1-O 2.6Å; H196-S199 PolarHBondContact CE1-OG 3.34Å; H196-S199 PolarHBondContact ND1-OG 3.42Å; H196-F228 AromaticContact CE1-CE2 3.83Å; H196-Q243 PolarHBondContact CD2-O 3.19Å; H196-Q243 WeakPolarHBondContact NE2-CG 3.21Å
197	S	97.3	Very high	98.3	Very high	23 Å²	23	45.5 Å²	45.5	16%	0.161	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-15.8	176.7	-39.4	0	0	0	0	112.7	L153 T154 K157	L153-S197 WeakPolarHBondContact CA-O 3.22Å; L153-S197 WeakPolarHBondContact CD2-O 3.27Å; T154-S197 PolarHBondContact N-O 2.84Å; K157-S197 WeakPolarHBondContact CE-OG 3.42Å; K157-S197 PolarHBondContact NZ-OG 3.34Å
198	W	98.4	Very high	98.3	Very high	109 Å²	109	45.1 Å²	45.1	41%	0.413	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.7	-168.7	-64.8	101.9	0	0	0	109.1	Q139 L151 T152 L153 H196	Q139-W198 PolarHBondContact NE2-O 2.77Å; L151-W198 HydrophobicContact CB-CB 4.16Å; L151-W198 HydrophobicContact CB-CE3 4.16Å; L151-W198 HydrophobicContact CD1-CB 4.26Å; T152-W198 WeakPolarHBondContact O-CA 3.27Å; L153-W198 HydrophobicContact CB-CZ3 4.5Å; L153-W198 HydrophobicContact CD1-CH2 4.15Å; L153-W198 HydrophobicContact CD1-CZ3 4.49Å; L153-W198 HydrophobicContact CD2-CD2 3.69Å; L153-W198 VanDerWaalsContact CD2-CE2 3.47Å; L153-W198 HydrophobicContact CD2-CE3 3.84Å; L153-W198 HydrophobicContact CD2-CG 4.46Å; L153-W198 HydrophobicContact CD2-CH2 3.61Å; L153-W198 HydrophobicContact CD2-CZ2 3.44Å; L153-W198 VanDerWaalsContact CD2-CZ2 3.44Å; L153-W198 HydrophobicContact CD2-CZ3 3.82Å; L153-W198 HydrophobicContact CG-CD2 4.3Å; L153-W198 HydrophobicContact CG-CE3 3.92Å; L153-W198 HydrophobicContact CG-CH2 3.58Å; L153-W198 HydrophobicContact CG-CZ2 3.98Å; L153-W198 HydrophobicContact CG-CZ3 3.56Å; H196-W198 PolarHBondContact ND1-O 2.6Å
199	S	98.7	Very high	98.3	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	158.3	178.7	-57.9	0	0	0	0	111.4	L151 T152 T154 H196 S201 F228	L151-S199 CarbonylContact C-O 3.53Å; L151-S199 WeakPolarHBondContact CA-O 3.5Å; T152-S199 PolarHBondContact N-O 2.75Å; T152-S199 PolarHBondContact O-N 2.8Å; T152-S199 PolarHBondContact OG1-O 3.3Å; T154-S199 PolarHBondContact OG1-OG 2.76Å; H196-S199 PolarHBondContact CE1-OG 3.34Å; H196-S199 PolarHBondContact ND1-OG 3.42Å; S199-S201 PolarHBondContact O-N 3.33Å; S199-F228 VanDerWaalsContact CB-CB 3.47Å
200	L	98.8	Very high	98.3	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	104.9	166.3	179.4	64	0	0	0	109.4	F138 L150 N204 Y205 L211 F228 I229	F138-L200 HydrophobicContact CE1-CB 3.83Å; F138-L200 HydrophobicContact CZ-CB 4.23Å; F138-L200 HydrophobicContact CZ-CD2 4.43Å; L150-L200 HydrophobicContact CB-CD1 4.14Å; L200-N204 HydrophobicContact CD1-CB 4.28Å; L200-Y205 HydrophobicContact CD2-CD2 4.47Å; L200-L211 HydrophobicContact CD1-CD1 4.03Å; L200-L211 HydrophobicContact CD2-CD1 4.07Å; L200-F228 WeakPolarHBondContact O-CA 3.49Å; L200-I229 HydrophobicContact CD2-CD1 3.72Å; L200-I229 HydrophobicContact CG-CD1 4.07Å; L200-I229 PolarHBondContact O-N 3.49Å
201	S	98.7	Very high	98.3	Very high	6 Å²	6	40.8 Å²	40.8	4%	0.042	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-64.7	148.9	177.4	72.1	0	0	0	0	112.1	S199 Q203 N204 Y205 E227	S199-S201 PolarHBondContact O-N 3.33Å; S201-Q203 PolarHBondContact O-N 3.2Å; S201-N204 PolarHBondContact O-N 2.7Å; S201-N204 WeakPolarHBondContact OG-CB 3.24Å; S201-N204 PolarHBondContact OG-N 3.08Å; S201-N204 VanDerWaalsContact OG-N 3.1Å; S201-Y205 PolarHBondContact O-N 2.91Å; S201-E227 WeakPolarHBondContact CA-O 3.48Å
202	I	98.4	Very high	98.4	Very high	39 Å²	39	45.4 Å²	45.4	20%	0.2	22%	0.22	C	C	.	.	H	α-helix	trans	-59	-35.4	174.8	-70.4	-70.5	0	0	0	111.1	T206 V217 T220 E227 I229	I202-T206 WeakPolarHBondContact O-CB 3.34Å; I202-T206 PolarHBondContact O-N 3.08Å; I202-T206 PolarHBondContact O-OG1 2.8Å; I202-V217 HydrophobicContact CD1-CG1 4.41Å; I202-T220 HydrophobicContact CD1-CG2 3.5Å; I202-T220 VanDerWaalsContact CD1-CG2 3.5Å; I202-T220 HydrophobicContact CG1-CG2 4.01Å; I202-E227 HydrophobicContact CG1-CB 4.36Å; I202-E227 HydrophobicContact CG1-CG 3.87Å; I202-E227 PolarHBondContact N-O 3.05Å; I202-I229 HydrophobicContact CD1-CD1 4.23Å; I202-I229 HydrophobicContact CD1-CG1 3.45Å; I202-I229 VanDerWaalsContact CD1-CG1 3.45Å; I202-I229 HydrophobicContact CG1-CG1 4.36Å
203	Q	98.2	Very high	98.4	Very high	109 Å²	109	55.4 Å²	55.4	51%	0.509	26%	0.258	S	S	.	.	H	α-helix	trans	-61.9	-48.8	176.1	-172.2	-176.3	51.8	0	0	112.1	S201 T206 R207	S201-Q203 PolarHBondContact O-N 3.2Å; Q203-T206 PolarHBondContact O-N 2.91Å; Q203-R207 VanDerWaalsContact NE2-NH2 3.16Å; Q203-R207 WeakPolarHBondContact O-CB 3.4Å; Q203-R207 WeakPolarHBondContact O-CG 3.06Å; Q203-R207 PolarHBondContact O-N 3.06Å
204	N	98.6	Very high	98.4	Very high	34 Å²	34	56.9 Å²	56.9	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-68.9	-40.4	-178.9	-78.4	-8	0	0	0	112.2	L150 T152 L200 S201 N208	L150-N204 HydrophobicContact CB-CB 4.31Å; L150-N204 PolarHBondContact O-ND2 3.44Å; T152-N204 VanDerWaalsContact CG2-ND2 3.27Å; T152-N204 WeakPolarHBondContact CG2-ND2 3.36Å; L200-N204 HydrophobicContact CD1-CB 4.28Å; S201-N204 PolarHBondContact O-N 2.7Å; S201-N204 WeakPolarHBondContact OG-CB 3.24Å; S201-N204 PolarHBondContact OG-N 3.08Å; S201-N204 VanDerWaalsContact OG-N 3.1Å; N204-N208 WeakPolarHBondContact O-CB 3.12Å; N204-N208 PolarHBondContact O-N 2.86Å
205	Y	98.6	Very high	98.4	Very high	23 Å²	23	56.9 Å²	56.9	9%	0.09	26%	0.264	C	S	.	.	H	α-helix	trans	-57	-50.4	170.6	165.4	-96.8	0	0	0	110.9	L200 S201 R207 N208 L211 K212 Y215 V217 I229	L200-Y205 HydrophobicContact CD2-CD2 4.47Å; S201-Y205 PolarHBondContact O-N 2.91Å; Y205-R207 VanDerWaalsContact C-N 3.28Å; Y205-R207 PolarHBondContact O-N 3.37Å; Y205-N208 PolarHBondContact O-N 3.32Å; Y205-L211 HydrophobicContact CD2-CB 3.75Å; Y205-L211 HydrophobicContact CE2-CB 4.09Å; Y205-K212 HydrophobicContact CD1-CG 4.38Å; Y205-K212 HydrophobicContact CE1-CG 3.93Å; Y205-K212 HydrophobicContact CE2-CG 4.42Å; Y205-Y215 PolarHBondContact OH-O 3.02Å; Y205-V217 HydrophobicContact CD1-CG2 4.15Å; Y205-V217 HydrophobicContact CD2-CG2 4.41Å; Y205-V217 HydrophobicContact CE1-CG2 3.7Å; Y205-V217 HydrophobicContact CE2-CG2 4Å; Y205-V217 HydrophobicContact CG-CG2 4.49Å; Y205-I229 VanDerWaalsContact CB-CD1 3.46Å; Y205-I229 HydrophobicContact CD1-CD1 4.01Å; Y205-I229 HydrophobicContact CD2-CD1 3.6Å; Y205-I229 HydrophobicContact CE2-CD1 4.36Å; Y205-I229 HydrophobicContact CG-CD1 3.41Å; Y205-I229 VanDerWaalsContact CG-CD1 3.41Å
206	T	97.8	Very high	98.4	Very high	69 Å²	69	57 Å²	57	42%	0.423	26%	0.263	S	S	.	.	H	α-helix	trans	-65.8	-32.2	-174.2	-59.2	0	0	0	0	112.6	I202 Q203 N208 K212	I202-T206 WeakPolarHBondContact O-CB 3.34Å; I202-T206 PolarHBondContact O-N 3.08Å; I202-T206 PolarHBondContact O-OG1 2.8Å; Q203-T206 PolarHBondContact O-N 2.91Å; T206-N208 VanDerWaalsContact C-N 3.3Å; T206-K212 HydrophobicContact CG2-CD 4.44Å; T206-K212 WeakPolarHBondContact O-CD 3.41Å
207	R	98.3	Very high	98.5	Very high	183 Å²	183	57.6 Å²	57.6	69%	0.691	27%	0.267	S	S	*	.	H	α-helix	trans	-79.4	-9.6	176.5	-71	174.8	176.2	174	-2.1	113.7	Q203 Y205	Q203-R207 VanDerWaalsContact NE2-NH2 3.16Å; Q203-R207 WeakPolarHBondContact O-CB 3.4Å; Q203-R207 WeakPolarHBondContact O-CG 3.06Å; Q203-R207 PolarHBondContact O-N 3.06Å; Y205-R207 VanDerWaalsContact C-N 3.28Å; Y205-R207 PolarHBondContact O-N 3.37Å
208	N	98.6	Very high	98.6	Very high	28 Å²	28	56.5 Å²	56.5	15%	0.15	26%	0.26	C	S	.	.			trans	-106.3	107.8	-179	-170	-79.9	0	0	0	111.7	L150 N204 Y205 T206 K210 L211 K212	L150-N208 HydrophobicContact CD1-CB 3.83Å; N204-N208 WeakPolarHBondContact O-CB 3.12Å; N204-N208 PolarHBondContact O-N 2.86Å; Y205-N208 PolarHBondContact O-N 3.32Å; T206-N208 VanDerWaalsContact C-N 3.3Å; N208-K210 VanDerWaalsContact C-N 3.27Å; N208-K210 PolarHBondContact O-N 2.86Å; N208-K210 WeakPolarHBondContact OD1-CB 3.32Å; N208-K210 PolarHBondContact OD1-N 3.05Å; N208-K210 VanDerWaalsContact OD1-N 3.14Å; N208-L211 HydrophobicContact CB-CB 4.25Å; N208-L211 HydrophobicContact CB-CD1 4.06Å; N208-L211 HydrophobicContact CB-CG 4.32Å; N208-L211 PolarHBondContact O-N 2.81Å; N208-L211 PolarHBondContact OD1-N 3.46Å; N208-K212 PolarHBondContact O-N 2.77Å; N208-K212 VanDerWaalsContact O-N 3.07Å
209	A	98.4	Very high	98.6	Very high	80 Å²	80	51.3 Å²	51.3	66%	0.661	24%	0.24	S	C	*	.	H	α-helix	trans	-61.2	-31.3	-178.4	0	0	0	0	0	113.8	R213	A209-R213 VanDerWaalsContact O-CB 3.25Å; A209-R213 WeakPolarHBondContact O-CB 3.47Å; A209-R213 PolarHBondContact O-N 3.43Å; A209-R213 VanDerWaalsContact O-N 3.08Å
210	K	98.6	Very high	98.6	Very high	101 Å²	101	51.6 Å²	51.6	44%	0.439	24%	0.242	S	C	.	.	H	α-helix	trans	-67.9	-48.3	179	-60.7	178.4	-174.2	168.7	0	110.7	T145 A146 N208 R213 F214	T145-K210 WeakPolarHBondContact O-CD 3.42Å; A146-K210 PolarHBondContact O-NZ 3.33Å; N208-K210 VanDerWaalsContact C-N 3.27Å; N208-K210 PolarHBondContact O-N 2.86Å; N208-K210 WeakPolarHBondContact OD1-CB 3.32Å; N208-K210 PolarHBondContact OD1-N 3.05Å; N208-K210 VanDerWaalsContact OD1-N 3.14Å; K210-R213 PolarHBondContact O-N 3.1Å; K210-F214 WeakPolarHBondContact O-CB 3.15Å; K210-F214 PolarHBondContact O-N 2.82Å
211	L	98.8	Very high	98.6	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	24%	0.243	C	C	.	.	H	α-helix	trans	-62.1	-48.5	177.2	-72.1	173.9	0	0	0	111.5	T145 A146 L150 L200 Y205 N208 R213 F214 Y215	T145-L211 HydrophobicContact CG2-CD2 3.97Å; A146-L211 HydrophobicContact CB-CD1 4.12Å; A146-L211 HydrophobicContact CB-CD2 4.39Å; A146-L211 HydrophobicContact CB-CG 4.05Å; L150-L211 HydrophobicContact CD1-CD1 3.84Å; L200-L211 HydrophobicContact CD1-CD1 4.03Å; L200-L211 HydrophobicContact CD2-CD1 4.07Å; Y205-L211 HydrophobicContact CD2-CB 3.75Å; Y205-L211 HydrophobicContact CE2-CB 4.09Å; N208-L211 HydrophobicContact CB-CB 4.25Å; N208-L211 HydrophobicContact CB-CD1 4.06Å; N208-L211 HydrophobicContact CB-CG 4.32Å; N208-L211 PolarHBondContact O-N 2.81Å; N208-L211 PolarHBondContact OD1-N 3.46Å; L211-R213 VanDerWaalsContact C-N 3.28Å; L211-R213 PolarHBondContact O-N 3.06Å; L211-F214 PolarHBondContact O-N 3.12Å; L211-F214 VanDerWaalsContact O-N 3.09Å; L211-Y215 HydrophobicContact CD2-CD2 3.99Å; L211-Y215 HydrophobicContact CD2-CE2 4.25Å; L211-Y215 PolarHBondContact O-N 3.36Å
212	K	98.3	Very high	98.5	Very high	104 Å²	104	54 Å²	54	45%	0.452	26%	0.259	S	S	.	.	H	α-helix	trans	-58.2	-38	178.4	-80.4	-175.7	63.2	172.1	0	114.1	Y205 T206 N208 Y235	Y205-K212 HydrophobicContact CD1-CG 4.38Å; Y205-K212 HydrophobicContact CE1-CG 3.93Å; Y205-K212 HydrophobicContact CE2-CG 4.42Å; T206-K212 HydrophobicContact CG2-CD 4.44Å; T206-K212 WeakPolarHBondContact O-CD 3.41Å; N208-K212 PolarHBondContact O-N 2.77Å; N208-K212 VanDerWaalsContact O-N 3.07Å; K212-Y235 WeakPolarHBondContact O-CE2 3.38Å
213	R	98.6	Very high	98.4	Very high	211 Å²	211	53.5 Å²	53.5	80%	0.796	26%	0.256	S	S	*	.	H	α-helix	trans	-76.4	-28	179.1	177.8	176.5	148	-155.8	-6.9	111.9	A209 K210 L211 Y235	A209-R213 VanDerWaalsContact O-CB 3.25Å; A209-R213 WeakPolarHBondContact O-CB 3.47Å; A209-R213 PolarHBondContact O-N 3.43Å; A209-R213 VanDerWaalsContact O-N 3.08Å; K210-R213 PolarHBondContact O-N 3.1Å; L211-R213 VanDerWaalsContact C-N 3.28Å; L211-R213 PolarHBondContact O-N 3.06Å; R213-Y235 WeakPolarHBondContact O-CD2 3.24Å
214	F	98.9	Very high	98.3	Very high	31 Å²	31	51.6 Å²	51.6	14%	0.136	27%	0.266	C	S	.	.	H	α-helix	trans	-91.3	-46.3	-173.2	-163.6	-84.3	0	0	0	112.5	Y116 L120 T145 K210 L211 A234 Y235 Y237 F239	Y116-F214 HydrophobicContact CE2-CZ 4.49Å; Y116-F214 WeakPolarHBondContact OH-CZ 3.4Å; L120-F214 HydrophobicContact CD2-CE2 3.93Å; L120-F214 HydrophobicContact CD2-CZ 3.99Å; T145-F214 HydrophobicContact CG2-CB 3.57Å; T145-F214 HydrophobicContact CG2-CD1 3.94Å; T145-F214 HydrophobicContact CG2-CD2 4.09Å; T145-F214 HydrophobicContact CG2-CG 3.6Å; K210-F214 WeakPolarHBondContact O-CB 3.15Å; K210-F214 PolarHBondContact O-N 2.82Å; L211-F214 PolarHBondContact O-N 3.12Å; L211-F214 VanDerWaalsContact O-N 3.09Å; F214-A234 HydrophobicContact CD1-CB 3.79Å; F214-A234 HydrophobicContact CE1-CB 3.48Å; F214-A234 VanDerWaalsContact CE1-CB 3.48Å; F214-A234 HydrophobicContact CZ-CB 4.26Å; F214-A234 CarbonylContact O-C 3.55Å; F214-A234 WeakPolarHBondContact O-CA 3.47Å; F214-Y235 WeakPolarHBondContact O-CD2 3.46Å; F214-Y235 PolarHBondContact O-N 3.27Å; F214-Y237 HydrophobicContact CD2-CD2 4.26Å; F214-Y237 HydrophobicContact CD2-CE2 4.29Å; F214-Y237 HydrophobicContact CE1-CD2 4.3Å; F214-Y237 AromaticContact CE2-CD2 3.34Å; F214-Y237 HydrophobicContact CE2-CD2 3.34Å; F214-Y237 AromaticContact CE2-CE2 3.48Å; F214-Y237 HydrophobicContact CE2-CE2 3.48Å; F214-Y237 VanDerWaalsContact CE2-CE2 3.48Å; F214-Y237 HydrophobicContact CE2-CG 4.39Å; F214-Y237 AromaticContact CZ-CD2 3.37Å; F214-Y237 HydrophobicContact CZ-CD2 3.37Å; F214-Y237 AromaticContact CZ-CE2 4Å; F214-Y237 HydrophobicContact CZ-CE2 4Å; F214-Y237 HydrophobicContact CZ-CG 4.08Å; F214-F239 AromaticContact CE1-CD2 3.76Å; F214-F239 HydrophobicContact CE1-CD2 3.76Å; F214-F239 HydrophobicContact CE1-CE2 4.44Å; F214-F239 AromaticContact CZ-CD2 3.62Å; F214-F239 HydrophobicContact CZ-CD2 3.62Å; F214-F239 AromaticContact CZ-CE2 3.85Å; F214-F239 HydrophobicContact CZ-CE2 3.85Å
215	Y	98.8	Very high	98.1	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	140.1	-173.5	-69.5	-68	0	0	0	112.9	T145 Y205 L211 M232 E233 A234 Y235 F239	T145-Y215 HydrophobicContact CG2-CD2 4.32Å; T145-Y215 HydrophobicContact CG2-CE2 3.91Å; T145-Y215 VanDerWaalsContact OG1-CE2 3.29Å; T145-Y215 WeakPolarHBondContact OG1-CE2 3.28Å; T145-Y215 PolarHBondContact OG1-OH 2.95Å; Y205-Y215 PolarHBondContact OH-O 3.02Å; L211-Y215 HydrophobicContact CD2-CD2 3.99Å; L211-Y215 HydrophobicContact CD2-CE2 4.25Å; L211-Y215 PolarHBondContact O-N 3.36Å; Y215-M232 HydrophobicContact CD1-CB 4.48Å; Y215-M232 HydrophobicContact CD1-CE 4.28Å; Y215-M232 HydrophobicContact CD1-CG 3.93Å; Y215-M232 HydrophobicContact CD1-SD 3.98Å; Y215-M232 HydrophobicContact CD2-CE 4Å; Y215-M232 HydrophobicContact CD2-SD 3.84Å; Y215-M232 HydrophobicContact CE1-CE 4.26Å; Y215-M232 HydrophobicContact CE2-CE 3.94Å; Y215-M232 HydrophobicContact CE2-SD 4.39Å; Y215-M232 HydrophobicContact CG-CE 4.19Å; Y215-M232 HydrophobicContact CG-CG 4.13Å; Y215-M232 HydrophobicContact CG-SD 3.63Å; Y215-E233 WeakPolarHBondContact CA-O 3.38Å; Y215-A234 HydrophobicContact CD1-CB 3.98Å; Y215-A234 HydrophobicContact CE1-CB 3.88Å; Y215-Y235 WeakPolarHBondContact O-CE2 3.25Å; Y215-F239 HydrophobicContact CE1-CB 4.39Å
216	R	98.5	Very high	98.1	Very high	40 Å²	40	58.7 Å²	58.7	15%	0.151	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	120.2	164.3	-175.2	165.4	62.8	164.8	-19.2	108.2	A168 S171 L218 M232 E233 Y235	A168-R216 HydrophobicContact CB-CG 3.65Å; S171-R216 PolarHBondContact O-NH1 2.98Å; S171-R216 VanDerWaalsContact O-NH1 3.17Å; S171-R216 PolarHBondContact O-NH2 2.92Å; S171-R216 VanDerWaalsContact O-NH2 3.07Å; S171-R216 PolarHBondContact OG-NH1 3.48Å; S171-R216 VanDerWaalsContact OG-NH1 3.14Å; R216-L218 HydrophobicContact CG-CD2 4.09Å; R216-M232 VanDerWaalsContact O-CA 3.31Å; R216-M232 WeakPolarHBondContact O-CA 3.45Å; R216-M232 WeakPolarHBondContact O-CB 3.47Å; R216-E233 HydrophobicContact CB-CG 4.48Å; R216-E233 IonicContact CZ-OE1 3.86Å; R216-E233 PolarHBondContact N-O 3.01Å; R216-E233 IonicContact NE-OE1 2.66Å; R216-E233 PolarHBondContact NE-OE1 2.79Å; R216-E233 IonicContact NH2-OE1 2.62Å; R216-E233 PolarHBondContact NH2-OE1 3.43Å; R216-E233 PolarHBondContact O-N 3.49Å; R216-Y235 HydrophobicContact CB-CD1 4.1Å; R216-Y235 HydrophobicContact CB-CD2 4.48Å; R216-Y235 HydrophobicContact CB-CE1 3.65Å; R216-Y235 HydrophobicContact CB-CE2 4.05Å; R216-Y235 HydrophobicContact CB-CG 4.49Å; R216-Y235 HydrophobicContact CG-CE1 3.95Å
217	V	98.9	Very high	98.1	Very high	18 Å²	18	59.8 Å²	59.8	11%	0.109	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129.1	173.8	177.9	0	0	0	0	108.5	T166 A168 I202 Y205 T220 I229	T166-V217 HydrophobicContact CG2-CG1 4.02Å; T166-V217 PolarHBondContact OG1-O 2.93Å; A168-V217 WeakPolarHBondContact CB-O 3.46Å; I202-V217 HydrophobicContact CD1-CG1 4.41Å; Y205-V217 HydrophobicContact CD1-CG2 4.15Å; Y205-V217 HydrophobicContact CD2-CG2 4.41Å; Y205-V217 HydrophobicContact CE1-CG2 3.7Å; Y205-V217 HydrophobicContact CE2-CG2 4Å; Y205-V217 HydrophobicContact CG-CG2 4.49Å; V217-T220 HydrophobicContact CG1-CG2 3.9Å; V217-I229 HydrophobicContact CG1-CG1 4.08Å; V217-I229 HydrophobicContact CG1-CG2 4.12Å; V217-I229 HydrophobicContact CG2-CD1 3.55Å; V217-I229 HydrophobicContact CG2-CG1 3.81Å; V217-I229 HydrophobicContact CG2-CG2 4.31Å
218	L	98.8	Very high	98.1	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-38.7	-179.7	-56.3	-173.2	0	0	0	111.5	T166 A168 S172 L174 F175 R216 T231 E233	T166-L218 PolarHBondContact N-O 3.45Å; T166-L218 PolarHBondContact OG1-O 2.67Å; A168-L218 HydrophobicContact CB-CD2 4.35Å; S172-L218 VanDerWaalsContact CB-CD2 3.47Å; L174-L218 HydrophobicContact CB-CD1 3.97Å; L174-L218 HydrophobicContact CD2-CD1 4.05Å; F175-L218 HydrophobicContact CD2-CB 4.16Å; F175-L218 HydrophobicContact CD2-CD1 4.09Å; F175-L218 HydrophobicContact CE2-CB 3.72Å; F175-L218 HydrophobicContact CE2-CD1 4.07Å; R216-L218 HydrophobicContact CG-CD2 4.09Å; L218-T231 HydrophobicContact CB-CG2 4.11Å; L218-T231 HydrophobicContact CD1-CG2 4.14Å; L218-T231 PolarHBondContact N-O 3Å; L218-E233 HydrophobicContact CD1-CB 4.19Å; L218-E233 HydrophobicContact CD1-CG 3.86Å; L218-E233 HydrophobicContact CD2-CG 4.07Å; L218-E233 HydrophobicContact CG-CG 4.15Å
219	S	98.9	Very high	98.1	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	156.4	173.7	70	0	0	0	0	112.4	I164 S230 T231	I164-S219 CarbonylContact O-C 3.54Å; I164-S219 WeakPolarHBondContact O-CA 3.42Å; I164-S219 WeakPolarHBondContact O-CB 3.49Å; S219-S230 PolarHBondContact O-N 2.9Å; S219-S230 PolarHBondContact O-OG 2.79Å; S219-S230 PolarHBondContact OG-OG 2.99Å; S219-T231 PolarHBondContact N-O 3.07Å; S219-T231 PolarHBondContact O-N 3.18Å; S219-T231 WeakPolarHBondContact OG-CB 3.41Å; S219-T231 PolarHBondContact OG-N 3.29Å; S219-T231 PolarHBondContact OG-OG1 2.78Å
220	T	98.9	Very high	98.2	Very high	6 Å²	6	46 Å²	46	4%	0.037	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	167.9	171.6	68	0	0	0	0	110.9	I164 T166 I202 V217 E227 F228 S230	I164-T220 VanDerWaalsContact CB-O 3.31Å; I164-T220 WeakPolarHBondContact CB-O 3.44Å; I164-T220 PolarHBondContact N-O 2.82Å; I164-T220 PolarHBondContact O-N 2.88Å; T166-T220 HydrophobicContact CG2-CG2 4.33Å; I202-T220 HydrophobicContact CD1-CG2 3.5Å; I202-T220 VanDerWaalsContact CD1-CG2 3.5Å; I202-T220 HydrophobicContact CG1-CG2 4.01Å; V217-T220 HydrophobicContact CG1-CG2 3.9Å; T220-E227 VanDerWaalsContact CB-OE1 3.25Å; T220-E227 WeakPolarHBondContact CB-OE1 3.34Å; T220-E227 PolarHBondContact OG1-OE1 3.44Å; T220-F228 CarbonylContact C-O 3.59Å; T220-F228 WeakPolarHBondContact CA-O 3.46Å; T220-F228 WeakPolarHBondContact CB-O 3.46Å; T220-S230 VanDerWaalsContact C-OG 3.27Å; T220-S230 WeakPolarHBondContact CA-OG 3.22Å; T220-S230 PolarHBondContact N-OG 3.45Å; T220-S230 PolarHBondContact O-OG 2.97Å
221	N	98.8	Very high	98.2	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.021	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	168.2	169.9	-81.4	109.2	0	0	0	109.6	L161 P162 E227 F228 S230	L161-N221 HydrophobicContact CD1-CB 4.09Å; P162-N221 PolarHBondContact O-ND2 3.05Å; N221-E227 CarbonylContact O-C 3.59Å; N221-E227 WeakPolarHBondContact O-CA 3.21Å; N221-F228 HydrophobicContact CB-CD1 4.42Å; N221-F228 HydrophobicContact CB-CD2 4.4Å; N221-F228 HydrophobicContact CB-CE1 3.74Å; N221-F228 HydrophobicContact CB-CE2 3.71Å; N221-F228 HydrophobicContact CB-CZ 3.33Å; N221-F228 PolarHBondContact N-O 3.03Å; N221-F228 VanDerWaalsContact O-CD1 3.31Å; N221-F228 WeakPolarHBondContact O-CD1 3.38Å; N221-F228 PolarHBondContact O-N 2.97Å; N221-S230 WeakPolarHBondContact OD1-CB 3.35Å; N221-S230 PolarHBondContact OD1-OG 2.66Å
222	S	97.5	Very high	98.2	Very high	54 Å²	54	41.1 Å²	41.1	38%	0.378	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.7	175.9	179.5	0	0	0	0	109.9	G224 K226	S222-G224 VanDerWaalsContact C-N 3.3Å; S222-G224 PolarHBondContact OG-N 3.39Å; S222-G224 VanDerWaalsContact OG-N 3.07Å; S222-K226 WeakPolarHBondContact CA-O 3.25Å
223	D	96.1	Very high	98.2	Very high	27 Å²	27	36.1 Å²	36.1	14%	0.144	18%	0.184	C	C	.	.			trans	-93.2	10.3	169.6	75	-14.1	0	0	0	112.8	T154 K155 T156 E225 K226	T154-D223 WeakPolarHBondContact CA-OD2 3.45Å; T154-D223 WeakPolarHBondContact CB-OD2 3.38Å; K155-D223 HydrophobicContact CB-CB 4.22Å; K155-D223 PolarHBondContact N-OD2 3.04Å; T156-D223 HydrophobicContact CG2-CB 3.93Å; D223-E225 PolarHBondContact OD1-N 3.2Å; D223-K226 PolarHBondContact N-O 3.27Å; D223-K226 PolarHBondContact OD1-N 2.88Å
224	G	95.9	Very high	98.2	Very high	70 Å²	70	26.1 Å²	26.1	72%	0.722	15%	0.146	S	C	*	.	S	Bend	trans	94.8	-19.1	-173.7	0	0	0	0	0	113.8	S222	S222-G224 VanDerWaalsContact C-N 3.3Å; S222-G224 PolarHBondContact OG-N 3.39Å; S222-G224 VanDerWaalsContact OG-N 3.07Å
225	E	95.2	Very high	98.2	Very high	129 Å²	129	30.1 Å²	30.1	60%	0.603	16%	0.161	S	C	*	.	S	Bend	trans	-120.6	-39.5	179.9	-67.4	175.1	-164.6	0	0	112.4	K155 D223	K155-E225 IonicContact NZ-OE1 3.91Å; K155-E225 PolarHBondContact NZ-OE1 3.26Å; D223-E225 PolarHBondContact OD1-N 3.2Å
226	K	97	Very high	98.2	Very high	77 Å²	77	39.2 Å²	39.2	34%	0.335	20%	0.195	S	C	.	.			trans	-126.6	128.7	-175	-62.6	-170.9	-167.6	89.1	0	110.6	L153 T154 S222 D223	L153-K226 PolarHBondContact O-NZ 3.33Å; T154-K226 HydrophobicContact CG2-CB 4.35Å; S222-K226 WeakPolarHBondContact CA-O 3.25Å; D223-K226 PolarHBondContact N-O 3.27Å; D223-K226 PolarHBondContact OD1-N 2.88Å
227	E	98.4	Very high	98.2	Very high	92 Å²	92	38.7 Å²	38.7	43%	0.43	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	133.6	165.6	-166.3	-173.7	-176.4	0	0	110.7	S201 I202 T220 N221	S201-E227 WeakPolarHBondContact CA-O 3.48Å; I202-E227 HydrophobicContact CG1-CB 4.36Å; I202-E227 HydrophobicContact CG1-CG 3.87Å; I202-E227 PolarHBondContact N-O 3.05Å; T220-E227 VanDerWaalsContact CB-OE1 3.25Å; T220-E227 WeakPolarHBondContact CB-OE1 3.34Å; T220-E227 PolarHBondContact OG1-OE1 3.44Å; N221-E227 CarbonylContact O-C 3.59Å; N221-E227 WeakPolarHBondContact O-CA 3.21Å
228	F	98.9	Very high	98.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	156.1	-179	65.4	-88	0	0	0	112.6	T154 T156 L161 H196 S199 L200 T220 N221 S230 Q243	T154-F228 HydrophobicContact CG2-CD1 4.16Å; T156-F228 HydrophobicContact CG2-CE1 3.76Å; T156-F228 HydrophobicContact CG2-CZ 3.75Å; L161-F228 HydrophobicContact CD1-CZ 4.31Å; H196-F228 AromaticContact CE1-CE2 3.83Å; S199-F228 VanDerWaalsContact CB-CB 3.47Å; L200-F228 WeakPolarHBondContact O-CA 3.49Å; T220-F228 CarbonylContact C-O 3.59Å; T220-F228 WeakPolarHBondContact CA-O 3.46Å; T220-F228 WeakPolarHBondContact CB-O 3.46Å; N221-F228 HydrophobicContact CB-CD1 4.42Å; N221-F228 HydrophobicContact CB-CD2 4.4Å; N221-F228 HydrophobicContact CB-CE1 3.74Å; N221-F228 HydrophobicContact CB-CE2 3.71Å; N221-F228 HydrophobicContact CB-CZ 3.33Å; N221-F228 PolarHBondContact N-O 3.03Å; N221-F228 VanDerWaalsContact O-CD1 3.31Å; N221-F228 WeakPolarHBondContact O-CD1 3.38Å; N221-F228 PolarHBondContact O-N 2.97Å; F228-S230 PolarHBondContact O-N 3.19Å; F228-Q243 HydrophobicContact CD2-CG 4.44Å; F228-Q243 HydrophobicContact CE2-CG 4.3Å
229	I	98.9	Very high	98.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	125.1	176.4	-63.9	166.5	0	0	0	108.6	F138 L200 I202 Y205 V217 M232	F138-I229 HydrophobicContact CE2-CG2 3.82Å; F138-I229 HydrophobicContact CZ-CB 3.96Å; F138-I229 HydrophobicContact CZ-CG2 3.66Å; L200-I229 HydrophobicContact CD2-CD1 3.72Å; L200-I229 HydrophobicContact CG-CD1 4.07Å; L200-I229 PolarHBondContact O-N 3.49Å; I202-I229 HydrophobicContact CD1-CD1 4.23Å; I202-I229 HydrophobicContact CD1-CG1 3.45Å; I202-I229 VanDerWaalsContact CD1-CG1 3.45Å; I202-I229 HydrophobicContact CG1-CG1 4.36Å; Y205-I229 VanDerWaalsContact CB-CD1 3.46Å; Y205-I229 HydrophobicContact CD1-CD1 4.01Å; Y205-I229 HydrophobicContact CD2-CD1 3.6Å; Y205-I229 HydrophobicContact CE2-CD1 4.36Å; Y205-I229 HydrophobicContact CG-CD1 3.41Å; Y205-I229 VanDerWaalsContact CG-CD1 3.41Å; V217-I229 HydrophobicContact CG1-CG1 4.08Å; V217-I229 HydrophobicContact CG1-CG2 4.12Å; V217-I229 HydrophobicContact CG2-CD1 3.55Å; V217-I229 HydrophobicContact CG2-CG1 3.81Å; V217-I229 HydrophobicContact CG2-CG2 4.31Å; I229-M232 HydrophobicContact CG2-CB 4.08Å; I229-M232 HydrophobicContact CG2-CG 4.46Å; I229-M232 HydrophobicContact CG2-SD 4.4Å
230	S	98.9	Very high	98.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-24.4	177.1	54.8	0	0	0	0	113.6	S219 T220 N221 F228 V242 Q243 W244	S219-S230 PolarHBondContact O-N 2.9Å; S219-S230 PolarHBondContact O-OG 2.79Å; S219-S230 PolarHBondContact OG-OG 2.99Å; T220-S230 VanDerWaalsContact C-OG 3.27Å; T220-S230 WeakPolarHBondContact CA-OG 3.22Å; T220-S230 PolarHBondContact N-OG 3.45Å; T220-S230 PolarHBondContact O-OG 2.97Å; N221-S230 WeakPolarHBondContact OD1-CB 3.35Å; N221-S230 PolarHBondContact OD1-OG 2.66Å; F228-S230 PolarHBondContact O-N 3.19Å; S230-V242 WeakPolarHBondContact O-CA 3.29Å; S230-Q243 PolarHBondContact O-N 3.42Å; S230-W244 VanDerWaalsContact O-CD1 3.25Å; S230-W244 PolarHBondContact O-NE1 2.59Å
231	T	98.9	Very high	98.2	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	134.2	174.4	-47.8	0	0	0	0	110.1	L174 F175 L218 S219 A241 V242 W244	L174-T231 HydrophobicContact CD2-CG2 3.49Å; L174-T231 VanDerWaalsContact CD2-CG2 3.49Å; F175-T231 HydrophobicContact CE2-CG2 4.03Å; F175-T231 HydrophobicContact CZ-CG2 3.78Å; L218-T231 HydrophobicContact CB-CG2 4.11Å; L218-T231 HydrophobicContact CD1-CG2 4.14Å; L218-T231 PolarHBondContact N-O 3Å; S219-T231 PolarHBondContact N-O 3.07Å; S219-T231 PolarHBondContact O-N 3.18Å; S219-T231 WeakPolarHBondContact OG-CB 3.41Å; S219-T231 PolarHBondContact OG-N 3.29Å; S219-T231 PolarHBondContact OG-OG1 2.78Å; T231-A241 WeakPolarHBondContact CA-O 3.42Å; T231-V242 HydrophobicContact CG2-CG1 3.89Å; T231-W244 PolarHBondContact OG1-NE1 2.88Å; T231-W244 VanDerWaalsContact OG1-NE1 3.07Å
232	M	98.9	Very high	98.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	155.7	172.9	67.8	-174.2	179.2	0	0	112	F138 Y215 R216 I229 A241	F138-M232 HydrophobicContact CD2-CE 3.95Å; F138-M232 HydrophobicContact CD2-CG 4.35Å; F138-M232 HydrophobicContact CE1-CE 4.36Å; F138-M232 HydrophobicContact CE2-CE 3.63Å; F138-M232 HydrophobicContact CE2-CG 3.7Å; F138-M232 HydrophobicContact CE2-SD 3.76Å; F138-M232 HydrophobicContact CG-CE 4.42Å; F138-M232 HydrophobicContact CZ-CE 3.83Å; F138-M232 HydrophobicContact CZ-CG 4.44Å; F138-M232 HydrophobicContact CZ-SD 3.92Å; Y215-M232 HydrophobicContact CD1-CB 4.48Å; Y215-M232 HydrophobicContact CD1-CE 4.28Å; Y215-M232 HydrophobicContact CD1-CG 3.93Å; Y215-M232 HydrophobicContact CD1-SD 3.98Å; Y215-M232 HydrophobicContact CD2-CE 4Å; Y215-M232 HydrophobicContact CD2-SD 3.84Å; Y215-M232 HydrophobicContact CE1-CE 4.26Å; Y215-M232 HydrophobicContact CE2-CE 3.94Å; Y215-M232 HydrophobicContact CE2-SD 4.39Å; Y215-M232 HydrophobicContact CG-CE 4.19Å; Y215-M232 HydrophobicContact CG-CG 4.13Å; Y215-M232 HydrophobicContact CG-SD 3.63Å; R216-M232 VanDerWaalsContact O-CA 3.31Å; R216-M232 WeakPolarHBondContact O-CA 3.45Å; R216-M232 WeakPolarHBondContact O-CB 3.47Å; I229-M232 HydrophobicContact CG2-CB 4.08Å; I229-M232 HydrophobicContact CG2-CG 4.46Å; I229-M232 HydrophobicContact CG2-SD 4.4Å; M232-A241 HydrophobicContact CE-CB 3.8Å; M232-A241 HydrophobicContact CG-CB 3.95Å; M232-A241 PolarHBondContact N-O 3.16Å; M232-A241 PolarHBondContact O-N 3.04Å
233	E	98.9	Very high	98.3	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	148.4	171.1	68.2	179.9	-160.8	0	0	110.2	S172 R173 L174 Y215 R216 L218 F239 Y240	S172-E233 WeakPolarHBondContact CA-OE1 3.21Å; S172-E233 WeakPolarHBondContact CB-OE1 3.28Å; R173-E233 PolarHBondContact N-OE1 2.83Å; R173-E233 PolarHBondContact N-OE2 3.05Å; R173-E233 VanDerWaalsContact N-OE2 3.08Å; L174-E233 PolarHBondContact N-OE2 3Å; Y215-E233 WeakPolarHBondContact CA-O 3.38Å; R216-E233 HydrophobicContact CB-CG 4.48Å; R216-E233 IonicContact CZ-OE1 3.86Å; R216-E233 PolarHBondContact N-O 3.01Å; R216-E233 IonicContact NE-OE1 2.66Å; R216-E233 PolarHBondContact NE-OE1 2.79Å; R216-E233 IonicContact NH2-OE1 2.62Å; R216-E233 PolarHBondContact NH2-OE1 3.43Å; R216-E233 PolarHBondContact O-N 3.49Å; L218-E233 HydrophobicContact CD1-CB 4.19Å; L218-E233 HydrophobicContact CD1-CG 3.86Å; L218-E233 HydrophobicContact CD2-CG 4.07Å; L218-E233 HydrophobicContact CG-CG 4.15Å; E233-F239 CarbonylContact C-O 3.5Å; E233-F239 WeakPolarHBondContact CA-O 3.42Å; E233-Y240 HydrophobicContact CB-CD1 3.56Å; E233-Y240 HydrophobicContact CB-CE1 3.84Å
234	A	98.9	Very high	98.4	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	146.1	178.6	0	0	0	0	0	111.1	R173 F214 Y215 Y237 F239	R173-A234 PolarHBondContact NH1-O 2.77Å; R173-A234 PolarHBondContact NH2-O 3.29Å; F214-A234 HydrophobicContact CD1-CB 3.79Å; F214-A234 HydrophobicContact CE1-CB 3.48Å; F214-A234 VanDerWaalsContact CE1-CB 3.48Å; F214-A234 HydrophobicContact CZ-CB 4.26Å; F214-A234 CarbonylContact O-C 3.55Å; F214-A234 WeakPolarHBondContact O-CA 3.47Å; Y215-A234 HydrophobicContact CD1-CB 3.98Å; Y215-A234 HydrophobicContact CE1-CB 3.88Å; A234-Y237 WeakPolarHBondContact CB-O 3.39Å; A234-F239 HydrophobicContact CB-CB 3.99Å; A234-F239 PolarHBondContact N-O 3.46Å
235	Y	98.7	Very high	98.6	Very high	115 Å²	115	30.9 Å²	30.9	45%	0.451	13%	0.13	S	C	.	.	S	Bend	trans	-63.7	-46.8	178.8	-75.4	-78.8	0	0	0	111.7	R173 K212 R213 F214 Y215 R216	R173-Y235 PolarHBondContact NH1-O 3.11Å; K212-Y235 WeakPolarHBondContact O-CE2 3.38Å; R213-Y235 WeakPolarHBondContact O-CD2 3.24Å; F214-Y235 WeakPolarHBondContact O-CD2 3.46Å; F214-Y235 PolarHBondContact O-N 3.27Å; Y215-Y235 WeakPolarHBondContact O-CE2 3.25Å; R216-Y235 HydrophobicContact CB-CD1 4.1Å; R216-Y235 HydrophobicContact CB-CD2 4.48Å; R216-Y235 HydrophobicContact CB-CE1 3.65Å; R216-Y235 HydrophobicContact CB-CE2 4.05Å; R216-Y235 HydrophobicContact CB-CG 4.49Å; R216-Y235 HydrophobicContact CG-CE1 3.95Å
236	R	98.3	Very high	98.7	Very high	192 Å²	192	24.9 Å²	24.9	73%	0.725	10%	0.102	S	C	*	.	S	Bend	trans	-104.2	-36.5	-171.9	-68	-180	62	-156.7	-6.8	114.2
237	Y	98.9	Very high	98.8	Very high	29 Å²	29	21.3 Å²	21.3	11%	0.114	9%	0.087	C	C	.	.	S	Bend	trans	-93.3	150.9	-175.8	-58.4	-80.3	0	0	0	110.4	L120 N123 D124 R173 F214 A234 F239	L120-Y237 HydrophobicContact CD2-CD1 3.87Å; L120-Y237 HydrophobicContact CD2-CD2 3.95Å; L120-Y237 HydrophobicContact CD2-CE1 3.67Å; L120-Y237 HydrophobicContact CD2-CE2 3.75Å; L120-Y237 HydrophobicContact CD2-CG 4.01Å; N123-Y237 HydrophobicContact CB-CD1 3.72Å; N123-Y237 HydrophobicContact CB-CE1 4.1Å; D124-Y237 VanDerWaalsContact OD1-CE1 3.28Å; D124-Y237 WeakPolarHBondContact OD1-CE1 3.46Å; D124-Y237 PolarHBondContact OD1-OH 2.86Å; D124-Y237 PolarHBondContact OD2-OH 3Å; R173-Y237 PolarHBondContact NH2-O 2.62Å; F214-Y237 HydrophobicContact CD2-CD2 4.26Å; F214-Y237 HydrophobicContact CD2-CE2 4.29Å; F214-Y237 HydrophobicContact CE1-CD2 4.3Å; F214-Y237 AromaticContact CE2-CD2 3.34Å; F214-Y237 HydrophobicContact CE2-CD2 3.34Å; F214-Y237 AromaticContact CE2-CE2 3.48Å; F214-Y237 HydrophobicContact CE2-CE2 3.48Å; F214-Y237 VanDerWaalsContact CE2-CE2 3.48Å; F214-Y237 HydrophobicContact CE2-CG 4.39Å; F214-Y237 AromaticContact CZ-CD2 3.37Å; F214-Y237 HydrophobicContact CZ-CD2 3.37Å; F214-Y237 AromaticContact CZ-CE2 4Å; F214-Y237 HydrophobicContact CZ-CE2 4Å; F214-Y237 HydrophobicContact CZ-CG 4.08Å; A234-Y237 WeakPolarHBondContact CB-O 3.39Å; Y237-F239 HydrophobicContact CG-CE2 4.36Å; Y237-F239 HydrophobicContact CG-CZ 4.41Å; Y237-F239 PolarHBondContact O-N 3.26Å
238	P	98.8	Very high	98.8	Very high	4 Å²	4	17 Å²	17	3%	0.026	7%	0.066	C	C	.	.			trans	-77.6	51.2	174.2	33.7	-36.3	0	0	0	111.7	N123 Y128 F129 P130 I131 Y240	N123-P238 WeakPolarHBondContact OD1-CD 3.43Å; N123-P238 VanDerWaalsContact OD1-CG 3.29Å; N123-P238 WeakPolarHBondContact OD1-CG 3.33Å; Y128-P238 HydrophobicContact CD1-CG 4.23Å; Y128-P238 HydrophobicContact CD2-CG 4.47Å; Y128-P238 HydrophobicContact CE1-CB 3.65Å; Y128-P238 HydrophobicContact CE1-CG 3.84Å; Y128-P238 HydrophobicContact CE2-CB 4.11Å; Y128-P238 HydrophobicContact CE2-CG 4.12Å; Y128-P238 VanDerWaalsContact CZ-CB 3.44Å; Y128-P238 WeakPolarHBondContact OH-CB 2.98Å; F129-P238 WeakPolarHBondContact O-CG 3.41Å; P130-P238 WeakPolarHBondContact CA-O 3.41Å; P130-P238 HydrophobicContact CB-CB 3.99Å; P130-P238 HydrophobicContact CB-CG 4.3Å; P130-P238 WeakPolarHBondContact CB-O 3.44Å; I131-P238 PolarHBondContact N-O 3.46Å; P238-Y240 HydrophobicContact CB-CE2 4.1Å; P238-Y240 WeakPolarHBondContact O-CD2 3.49Å; P238-Y240 WeakPolarHBondContact O-CE2 3.36Å
239	F	98.9	Very high	98.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	128.8	179.8	-60	-4.3	0	0	0	109.2	Y116 A119 L120 I131 F214 Y215 E233 A234 Y237	Y116-F239 HydrophobicContact CD2-CD2 4.23Å; Y116-F239 AromaticContact CD2-CE2 3.81Å; Y116-F239 HydrophobicContact CD2-CE2 3.81Å; Y116-F239 AromaticContact CE2-CD2 3.72Å; Y116-F239 HydrophobicContact CE2-CD2 3.72Å; Y116-F239 AromaticContact CE2-CE2 3.47Å; Y116-F239 HydrophobicContact CE2-CE2 3.47Å; Y116-F239 VanDerWaalsContact CE2-CE2 3.47Å; A119-F239 HydrophobicContact CB-CE1 3.79Å; A119-F239 HydrophobicContact CB-CZ 3.69Å; L120-F239 HydrophobicContact CD2-CE2 3.73Å; L120-F239 HydrophobicContact CD2-CZ 4.06Å; L120-F239 HydrophobicContact CG-CE2 4.09Å; L120-F239 HydrophobicContact CG-CZ 4.25Å; I131-F239 HydrophobicContact CB-CD1 3.86Å; I131-F239 HydrophobicContact CB-CE1 4.29Å; I131-F239 HydrophobicContact CB-CG 4.31Å; I131-F239 HydrophobicContact CD1-CD1 4.32Å; I131-F239 HydrophobicContact CD1-CE1 3.94Å; I131-F239 HydrophobicContact CD1-CZ 4.06Å; I131-F239 HydrophobicContact CG1-CD1 4Å; I131-F239 HydrophobicContact CG1-CE1 3.9Å; I131-F239 CarbonylContact O-C 3.49Å; I131-F239 WeakPolarHBondContact O-CA 3.47Å; F214-F239 AromaticContact CE1-CD2 3.76Å; F214-F239 HydrophobicContact CE1-CD2 3.76Å; F214-F239 HydrophobicContact CE1-CE2 4.44Å; F214-F239 AromaticContact CZ-CD2 3.62Å; F214-F239 HydrophobicContact CZ-CD2 3.62Å; F214-F239 AromaticContact CZ-CE2 3.85Å; F214-F239 HydrophobicContact CZ-CE2 3.85Å; Y215-F239 HydrophobicContact CE1-CB 4.39Å; E233-F239 CarbonylContact C-O 3.5Å; E233-F239 WeakPolarHBondContact CA-O 3.42Å; A234-F239 HydrophobicContact CB-CB 3.99Å; A234-F239 PolarHBondContact N-O 3.46Å; Y237-F239 HydrophobicContact CG-CE2 4.36Å; Y237-F239 HydrophobicContact CG-CZ 4.41Å; Y237-F239 PolarHBondContact O-N 3.26Å
240	Y	98.9	Very high	98.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	142	-173.3	-53.9	-77.6	0	0	0	109.1	I131 W132 G133 R173 E233 P238 F275 E279	I131-Y240 PolarHBondContact O-N 2.91Å; W132-Y240 CarbonylContact C-O 3.54Å; W132-Y240 WeakPolarHBondContact CA-O 3.36Å; W132-Y240 HydrophobicContact CE3-CD2 4.47Å; W132-Y240 HydrophobicContact CE3-CG 4.25Å; W132-Y240 HydrophobicContact CZ3-CG 4.25Å; G133-Y240 PolarHBondContact N-O 3Å; R173-Y240 HydrophobicContact CB-CE1 4.35Å; R173-Y240 PolarHBondContact NE-OH 2.97Å; E233-Y240 HydrophobicContact CB-CD1 3.56Å; E233-Y240 HydrophobicContact CB-CE1 3.84Å; P238-Y240 HydrophobicContact CB-CE2 4.1Å; P238-Y240 WeakPolarHBondContact O-CD2 3.49Å; P238-Y240 WeakPolarHBondContact O-CE2 3.36Å; Y240-F275 AromaticContact CD1-CE1 3.66Å; Y240-F275 HydrophobicContact CD1-CE1 3.66Å; Y240-F275 AromaticContact CD1-CZ 3.93Å; Y240-F275 HydrophobicContact CD1-CZ 3.93Å; Y240-F275 AromaticContact CD2-CE1 3.91Å; Y240-F275 HydrophobicContact CD2-CE1 3.91Å; Y240-F275 HydrophobicContact CD2-CZ 4.46Å; Y240-F275 AromaticContact CE1-CE1 3.63Å; Y240-F275 HydrophobicContact CE1-CE1 3.63Å; Y240-F275 AromaticContact CE1-CZ 3.41Å; Y240-F275 HydrophobicContact CE1-CZ 3.41Å; Y240-F275 VanDerWaalsContact CE1-CZ 3.41Å; Y240-F275 AromaticContact CE2-CE1 3.86Å; Y240-F275 HydrophobicContact CE2-CE1 3.86Å; Y240-F275 AromaticContact CE2-CZ 3.98Å; Y240-F275 HydrophobicContact CE2-CZ 3.98Å; Y240-F275 AromaticContact CG-CE1 3.81Å; Y240-F275 HydrophobicContact CG-CE1 3.81Å; Y240-F275 HydrophobicContact CG-CZ 4.44Å; Y240-F275 AromaticContact CZ-CE1 3.73Å; Y240-F275 AromaticContact CZ-CZ 3.44Å; Y240-F275 VanDerWaalsContact CZ-CZ 3.44Å; Y240-E279 HydrophobicContact CE2-CB 4.46Å; Y240-E279 HydrophobicContact CE2-CG 3.77Å; Y240-E279 WeakPolarHBondContact CE2-OE2 3.32Å; Y240-E279 VanDerWaalsContact CZ-OE2 3.3Å; Y240-E279 VanDerWaalsContact OH-CD 3.24Å; Y240-E279 PolarHBondContact OH-OE2 2.63Å
241	A	98.9	Very high	98.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	132.9	-178.4	0	0	0	0	0	111.4	G133 F138 L141 T231 M232	G133-A241 CarbonylContact O-C 3.59Å; G133-A241 VanDerWaalsContact O-CA 3.25Å; G133-A241 WeakPolarHBondContact O-CA 3.33Å; F138-A241 HydrophobicContact CB-CB 3.98Å; F138-A241 HydrophobicContact CD2-CB 3.35Å; F138-A241 HydrophobicContact CE2-CB 4.13Å; F138-A241 HydrophobicContact CG-CB 3.99Å; L141-A241 HydrophobicContact CD1-CB 4.01Å; T231-A241 WeakPolarHBondContact CA-O 3.42Å; M232-A241 HydrophobicContact CE-CB 3.8Å; M232-A241 HydrophobicContact CG-CB 3.95Å; M232-A241 PolarHBondContact N-O 3.16Å; M232-A241 PolarHBondContact O-N 3.04Å
242	V	98.9	Very high	98.7	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	130.8	173.5	-66.5	0	0	0	0	109.5	W132 G133 T134 C135 F138 S230 T231 W244 P246	W132-V242 HydrophobicContact CH2-CG1 4.08Å; W132-V242 HydrophobicContact CZ2-CB 4.32Å; W132-V242 HydrophobicContact CZ2-CG1 3.71Å; W132-V242 HydrophobicContact CZ2-CG2 3.6Å; G133-V242 PolarHBondContact O-N 3.47Å; T134-V242 CarbonylContact C-O 3.55Å; T134-V242 WeakPolarHBondContact CA-O 3.43Å; T134-V242 HydrophobicContact CG2-CG2 4.46Å; C135-V242 PolarHBondContact N-O 3.4Å; F138-V242 WeakPolarHBondContact CB-O 3.47Å; S230-V242 WeakPolarHBondContact O-CA 3.29Å; T231-V242 HydrophobicContact CG2-CG1 3.89Å; V242-W244 VanDerWaalsContact C-N 3.32Å; V242-W244 HydrophobicContact CB-CD2 4.3Å; V242-W244 HydrophobicContact CB-CG 4.36Å; V242-W244 HydrophobicContact CB-CZ2 4.38Å; V242-W244 HydrophobicContact CG1-CZ2 3.87Å; V242-W244 WeakPolarHBondContact CG2-O 3.36Å; V242-P246 HydrophobicContact CG2-CG 4.18Å
243	Q	98.9	Very high	98.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	11%	0.109	C	C	.	.	S	Bend	trans	-78.1	-23.9	177.1	-175.3	57.6	83.2	0	0	111.7	F138 H196 F228 S230	F138-Q243 HydrophobicContact CD1-CB 4.37Å; F138-Q243 VanDerWaalsContact CD1-OE1 3.23Å; F138-Q243 HydrophobicContact CD2-CB 4.38Å; F138-Q243 HydrophobicContact CG-CB 4.32Å; H196-Q243 PolarHBondContact CD2-O 3.19Å; H196-Q243 WeakPolarHBondContact NE2-CG 3.21Å; F228-Q243 HydrophobicContact CD2-CG 4.44Å; F228-Q243 HydrophobicContact CE2-CG 4.3Å; S230-Q243 PolarHBondContact O-N 3.42Å
244	W	98.8	Very high	98.5	Very high	3 Å²	3	27.5 Å²	27.5	1%	0.011	11%	0.112	C	C	.	.	S	Bend	trans	-88.9	168.6	175.3	54.4	-82.1	0	0	0	111.4	L163 T192 S193 S230 T231 V242 P246 I268	L163-W244 HydrophobicContact CD1-CZ2 4.12Å; T192-W244 HydrophobicContact CG2-CD2 3.82Å; T192-W244 HydrophobicContact CG2-CE3 3.79Å; T192-W244 HydrophobicContact CG2-CG 4.26Å; T192-W244 HydrophobicContact CG2-CZ3 4.13Å; S193-W244 CarbonylContact O-C 3.3Å; S193-W244 WeakPolarHBondContact O-CA 3.3Å; S230-W244 VanDerWaalsContact O-CD1 3.25Å; S230-W244 PolarHBondContact O-NE1 2.59Å; T231-W244 PolarHBondContact OG1-NE1 2.88Å; T231-W244 VanDerWaalsContact OG1-NE1 3.07Å; V242-W244 VanDerWaalsContact C-N 3.32Å; V242-W244 HydrophobicContact CB-CD2 4.3Å; V242-W244 HydrophobicContact CB-CG 4.36Å; V242-W244 HydrophobicContact CB-CZ2 4.38Å; V242-W244 HydrophobicContact CG1-CZ2 3.87Å; V242-W244 WeakPolarHBondContact CG2-O 3.36Å; W244-P246 HydrophobicContact CE3-CB 4.17Å; W244-P246 HydrophobicContact CH2-CB 4.1Å; W244-P246 HydrophobicContact CZ3-CB 3.55Å; W244-P246 HydrophobicContact CZ3-CG 4.34Å; W244-P246 WeakPolarHBondContact O-CD 3.33Å; W244-I268 HydrophobicContact CH2-CG2 3.63Å; W244-I268 HydrophobicContact CZ3-CG2 3.77Å
245	H	98.8	Very high	98.3	Very high	7 Å²	7	35.1 Å²	35.1	3%	0.032	15%	0.153	C	C	.	.			trans	-107.6	91.5	-172	-73.9	-93.5	0	0	0	112.3	Y61 C135 S193 E247 K248	Y61-H245 PolarHBondContact OH-ND1 3.47Å; C135-H245 VanDerWaalsContact CB-CE1 3.41Å; C135-H245 WeakPolarHBondContact CB-CE1 3.47Å; C135-H245 WeakPolarHBondContact CB-NE2 3.06Å; C135-H245 PolarHBondContact SG-NE2 3.01Å; S193-H245 PolarHBondContact O-N 2.86Å; H245-E247 VanDerWaalsContact C-OE2 3.23Å; H245-E247 VanDerWaalsContact CA-OE2 3.25Å; H245-E247 WeakPolarHBondContact CA-OE2 3.45Å; H245-E247 WeakPolarHBondContact CB-OE1 3.5Å; H245-E247 WeakPolarHBondContact CB-OE2 3.32Å; H245-E247 IonicContact CE1-OE1 3.82Å; H245-E247 IonicContact CG-OE1 3.39Å; H245-E247 IonicContact CG-OE2 3.64Å; H245-E247 IonicContact ND1-OE1 2.72Å; H245-E247 PolarHBondContact ND1-OE1 2.96Å; H245-E247 IonicContact ND1-OE2 3.45Å; H245-E247 PolarHBondContact O-N 2.78Å; H245-K248 HydrophobicContact CB-CB 4.25Å; H245-K248 HydrophobicContact CB-CD 3.57Å; H245-K248 HydrophobicContact CB-CG 3.75Å; H245-K248 WeakPolarHBondContact ND1-CE 3.39Å
246	P	98.6	Very high	98.1	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.019	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-26.1	177.4	26.7	-34.9	0	0	0	112.7	F64 V242 W244 K248 S269 T272	F64-P246 HydrophobicContact CE2-CB 3.89Å; F64-P246 HydrophobicContact CE2-CG 4.09Å; F64-P246 HydrophobicContact CZ-CB 4.23Å; F64-P246 HydrophobicContact CZ-CG 4Å; V242-P246 HydrophobicContact CG2-CG 4.18Å; W244-P246 HydrophobicContact CE3-CB 4.17Å; W244-P246 HydrophobicContact CH2-CB 4.1Å; W244-P246 HydrophobicContact CZ3-CB 3.55Å; W244-P246 HydrophobicContact CZ3-CG 4.34Å; W244-P246 WeakPolarHBondContact O-CD 3.33Å; P246-K248 VanDerWaalsContact C-N 3.31Å; P246-K248 PolarHBondContact O-N 3.46Å; P246-S269 WeakPolarHBondContact O-CB 2.92Å; P246-S269 PolarHBondContact O-OG 2.81Å; P246-T272 HydrophobicContact CB-CG2 3.94Å; P246-T272 HydrophobicContact CG-CG2 4.04Å
247	E	98.8	Very high	97.8	Very high	1 Å²	1	30 Å²	30	1%	0.005	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-19.4	-175.4	80.8	-68.7	172	0	0	113.8	Y61 F64 H245 F251	Y61-E247 HydrophobicContact CD1-CB 4.27Å; Y61-E247 HydrophobicContact CD1-CG 3.84Å; Y61-E247 HydrophobicContact CE1-CB 4.46Å; Y61-E247 HydrophobicContact CE1-CG 3.7Å; Y61-E247 HydrophobicContact CG-CG 4.32Å; Y61-E247 PolarHBondContact OH-OE1 2.92Å; Y61-E247 VanDerWaalsContact OH-OE1 3.12Å; F64-E247 HydrophobicContact CB-CB 3.85Å; F64-E247 HydrophobicContact CD2-CB 4.28Å; F64-E247 HydrophobicContact CG-CB 4.08Å; H245-E247 VanDerWaalsContact C-OE2 3.23Å; H245-E247 VanDerWaalsContact CA-OE2 3.25Å; H245-E247 WeakPolarHBondContact CA-OE2 3.45Å; H245-E247 WeakPolarHBondContact CB-OE1 3.5Å; H245-E247 WeakPolarHBondContact CB-OE2 3.32Å; H245-E247 IonicContact CE1-OE1 3.82Å; H245-E247 IonicContact CG-OE1 3.39Å; H245-E247 IonicContact CG-OE2 3.64Å; H245-E247 IonicContact ND1-OE1 2.72Å; H245-E247 PolarHBondContact ND1-OE1 2.96Å; H245-E247 IonicContact ND1-OE2 3.45Å; H245-E247 PolarHBondContact O-N 2.78Å; E247-F251 WeakPolarHBondContact O-CD2 3.27Å
248	K	98.6	Very high	97.6	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	15%	0.145	C	C	.	.	H	α-helix	trans	-74.8	-46.2	-168.7	-78.2	-175.4	-178.2	-59.6	0	113.5	F195 H245 P246 P250 F251 E252 M259 F312	F195-K248 HydrophobicContact CD2-CD 3.83Å; F195-K248 HydrophobicContact CE2-CD 3.96Å; H245-K248 HydrophobicContact CB-CB 4.25Å; H245-K248 HydrophobicContact CB-CD 3.57Å; H245-K248 HydrophobicContact CB-CG 3.75Å; H245-K248 WeakPolarHBondContact ND1-CE 3.39Å; P246-K248 VanDerWaalsContact C-N 3.31Å; P246-K248 PolarHBondContact O-N 3.46Å; K248-P250 VanDerWaalsContact C-N 3.35Å; K248-F251 PolarHBondContact O-N 3.38Å; K248-E252 HydrophobicContact CB-CB 4.38Å; K248-E252 HydrophobicContact CB-CG 4.45Å; K248-E252 HydrophobicContact CG-CB 4.3Å; K248-E252 HydrophobicContact CG-CG 4.02Å; K248-E252 PolarHBondContact O-N 3.12Å; K248-M259 HydrophobicContact CB-CE 4.42Å; K248-M259 HydrophobicContact CB-SD 3.8Å; K248-M259 HydrophobicContact CD-CE 4.12Å; K248-M259 HydrophobicContact CD-SD 4.39Å; K248-M259 HydrophobicContact CG-CE 4.48Å; K248-M259 HydrophobicContact CG-SD 4.46Å; K248-F312 VanDerWaalsContact NZ-CE1 3.26Å
249	S	98	Very high	97.5	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.028	15%	0.148	C	C	.	.	H	α-helix	trans	-51.9	-40.2	-172.7	-66	0	0	0	0	115.5	V260 H261	S249-V260 VanDerWaalsContact CA-O 3.32Å; S249-V260 WeakPolarHBondContact CA-O 3.23Å; S249-V260 WeakPolarHBondContact CB-O 3.43Å; S249-V260 PolarHBondContact OG-O 2.98Å; S249-H261 PolarHBondContact O-ND1 2.84Å
250	P	98.3	Very high	97.3	Very high	27 Å²	27	30.3 Å²	30.3	18%	0.175	15%	0.154	C	C	.	.	H	α-helix	trans	-89.8	-12.9	175.9	30.6	-34.5	0	0	0	115.5	K248 V266 S269	K248-P250 VanDerWaalsContact C-N 3.35Å; P250-V266 HydrophobicContact CB-CG1 4.31Å; P250-V266 HydrophobicContact CB-CG2 4.42Å; P250-S269 WeakPolarHBondContact CG-OG 3.38Å
251	F	98.4	Very high	97.3	Very high	37 Å²	37	34 Å²	34	16%	0.162	17%	0.171	C	C	.	.	H	α-helix	trans	-131	-17.9	-162.8	-55.1	-48.4	0	0	0	116.6	K63 F64 E247 K248 W253	K63-F251 HydrophobicContact CB-CD1 3.85Å; K63-F251 HydrophobicContact CB-CD2 3.7Å; K63-F251 HydrophobicContact CB-CE1 3.78Å; K63-F251 HydrophobicContact CB-CE2 3.68Å; K63-F251 HydrophobicContact CB-CG 3.84Å; K63-F251 HydrophobicContact CB-CZ 3.71Å; K63-F251 HydrophobicContact CD-CB 4.18Å; K63-F251 HydrophobicContact CD-CD1 3.78Å; K63-F251 HydrophobicContact CD-CE1 4.38Å; K63-F251 HydrophobicContact CD-CG 3.93Å; K63-F251 HydrophobicContact CG-CD1 4.4Å; F64-F251 HydrophobicContact CB-CE2 4.15Å; E247-F251 WeakPolarHBondContact O-CD2 3.27Å; K248-F251 PolarHBondContact O-N 3.38Å; F251-W253 PolarHBondContact O-NE1 2.86Å
252	E	98.3	Very high	97.3	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.189	C	C	.	.			trans	-116.3	143.3	-179.9	-58.7	-58.6	175.5	0	0	111.1	S60 K248 M259 H261 F312 I313	S60-E252 WeakPolarHBondContact CB-OE1 3.37Å; S60-E252 PolarHBondContact OG-OE1 3.02Å; K248-E252 HydrophobicContact CB-CB 4.38Å; K248-E252 HydrophobicContact CB-CG 4.45Å; K248-E252 HydrophobicContact CG-CB 4.3Å; K248-E252 HydrophobicContact CG-CG 4.02Å; K248-E252 PolarHBondContact O-N 3.12Å; E252-M259 HydrophobicContact CB-CE 3.65Å; E252-M259 HydrophobicContact CB-SD 4.11Å; E252-H261 PolarHBondContact O-CE1 3.3Å; E252-F312 VanDerWaalsContact OE2-CA 3.27Å; E252-F312 WeakPolarHBondContact OE2-CA 3.28Å; E252-I313 PolarHBondContact OE2-N 2.87Å
253	W	97.5	Very high	97.2	Very high	139 Å²	139	42.2 Å²	42.2	53%	0.527	22%	0.221	S	C	.	.			trans	-134.3	11.2	-162.9	-55.9	95	0	0	0	114.7	F251 D255 H261	F251-W253 PolarHBondContact O-NE1 2.86Å; W253-D255 PolarHBondContact O-N 3.38Å; W253-H261 AromaticContact CE3-CE1 3.87Å; W253-H261 AromaticContact CE3-NE2 3.87Å; W253-H261 AromaticContact CZ3-CG 3.91Å; W253-H261 AromaticContact CZ3-ND1 3.85Å
254	I	95.3	Very high	97.2	Very high	14 Å²	14	43.3 Å²	43.3	7%	0.072	23%	0.229	C	C	.	.			trans	-61.4	134	177.2	-172.7	177.9	0	0	0	110.2	K256 M259 N309 I311	I254-K256 HydrophobicContact CD1-CD 4Å; I254-K256 HydrophobicContact CD1-CG 4.2Å; I254-K256 HydrophobicContact CG1-CG 4.19Å; I254-K256 PolarHBondContact O-N 2.72Å; I254-M259 HydrophobicContact CG2-CE 3.45Å; I254-M259 VanDerWaalsContact CG2-CE 3.45Å; I254-M259 WeakPolarHBondContact O-CB 3.41Å; I254-N309 WeakPolarHBondContact CD1-O 3.25Å; I254-I311 HydrophobicContact CD1-CD1 3.83Å; I254-I311 HydrophobicContact CD1-CG1 4.25Å; I254-I311 HydrophobicContact CG2-CD1 4.3Å
255	D	94.9	Very high	97.2	Very high	160 Å²	160	43.3 Å²	43.3	86%	0.856	23%	0.229	S	C	*	.			trans	-72.5	91.4	177.3	-173.7	14.9	0	0	0	110.7	W253	W253-D255 PolarHBondContact O-N 3.38Å
256	K	95.4	Very high	97.2	Very high	82 Å²	82	45.8 Å²	45.8	36%	0.357	25%	0.245	S	C	.	.			trans	-142.2	146.9	175.5	-74.1	-167.6	173	-173.8	0	110.4	A158 F195 I254 G258 M259 I311	A158-K256 HydrophobicContact CB-CB 4.25Å; A158-K256 HydrophobicContact CB-CD 4.2Å; F195-K256 HydrophobicContact CE1-CB 4.21Å; F195-K256 HydrophobicContact CE1-CD 4.02Å; F195-K256 HydrophobicContact CZ-CB 4.34Å; I254-K256 HydrophobicContact CD1-CD 4Å; I254-K256 HydrophobicContact CD1-CG 4.2Å; I254-K256 HydrophobicContact CG1-CG 4.19Å; I254-K256 PolarHBondContact O-N 2.72Å; K256-G258 PolarHBondContact O-N 3.3Å; K256-M259 WeakPolarHBondContact O-CB 3.49Å; K256-M259 PolarHBondContact O-N 3.34Å; K256-I311 HydrophobicContact CD-CD1 4.12Å
257	P	92.8	Very high	97.1	Very high	116 Å²	116	49.5 Å²	49.5	75%	0.753	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-25.5	-176.2	-26.5	34.3	0	0	0	115.8	M259	P257-M259 VanDerWaalsContact C-N 3.33Å
258	G	93.4	Very high	97.1	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-3	176.3	0	0	0	0	0	115.1	A158 V159 S193 F195 K256	A158-G258 PolarHBondContact O-N 3.03Å; V159-G258 VanDerWaalsContact C-CA 3.44Å; S193-G258 WeakPolarHBondContact CA-O 3.09Å; S193-G258 VanDerWaalsContact CB-O 3.28Å; S193-G258 WeakPolarHBondContact CB-O 3.31Å; S193-G258 PolarHBondContact OG-O 2.86Å; F195-G258 WeakPolarHBondContact CE2-O 3.21Å; K256-G258 PolarHBondContact O-N 3.3Å
259	M	96.4	Very high	97.1	Very high	19 Å²	19	49.6 Å²	49.6	9%	0.094	26%	0.259	C	S	.	.			trans	-93.5	111.5	179.2	-161.4	63.4	80.2	0	0	109.6	F195 K248 E252 I254 K256 P257 H261	F195-M259 HydrophobicContact CE2-CE 4.42Å; F195-M259 HydrophobicContact CZ-CB 4.45Å; F195-M259 HydrophobicContact CZ-CE 4.2Å; K248-M259 HydrophobicContact CB-CE 4.42Å; K248-M259 HydrophobicContact CB-SD 3.8Å; K248-M259 HydrophobicContact CD-CE 4.12Å; K248-M259 HydrophobicContact CD-SD 4.39Å; K248-M259 HydrophobicContact CG-CE 4.48Å; K248-M259 HydrophobicContact CG-SD 4.46Å; E252-M259 HydrophobicContact CB-CE 3.65Å; E252-M259 HydrophobicContact CB-SD 4.11Å; I254-M259 HydrophobicContact CG2-CE 3.45Å; I254-M259 VanDerWaalsContact CG2-CE 3.45Å; I254-M259 WeakPolarHBondContact O-CB 3.41Å; K256-M259 WeakPolarHBondContact O-CB 3.49Å; K256-M259 PolarHBondContact O-N 3.34Å; P257-M259 VanDerWaalsContact C-N 3.33Å; M259-H261 VanDerWaalsContact CG-NE2 3.3Å; M259-H261 WeakPolarHBondContact CG-NE2 3.28Å
260	V	96.2	Very high	97.1	Very high	22 Å²	22	53.7 Å²	53.7	13%	0.133	28%	0.277	C	S	.	.			trans	-124.8	130.8	-172.1	-177.2	0	0	0	0	110.6	A160 I191 S249 T262 A265	A160-V260 HydrophobicContact CB-CG2 3.34Å; I191-V260 HydrophobicContact CG2-CG1 4.13Å; S249-V260 VanDerWaalsContact CA-O 3.32Å; S249-V260 WeakPolarHBondContact CA-O 3.23Å; S249-V260 WeakPolarHBondContact CB-O 3.43Å; S249-V260 PolarHBondContact OG-O 2.98Å; V260-T262 HydrophobicContact CG1-CG2 3.92Å; V260-A265 HydrophobicContact CG1-CB 4.12Å
261	H	97.8	Very high	97.1	Very high	76 Å²	76	55.4 Å²	55.4	35%	0.352	28%	0.28	S	S	.	.			trans	-121.3	19.5	-173.4	-57.3	-55.9	0	0	0	113.6	S249 E252 W253 M259	S249-H261 PolarHBondContact O-ND1 2.84Å; E252-H261 PolarHBondContact O-CE1 3.3Å; W253-H261 AromaticContact CE3-CE1 3.87Å; W253-H261 AromaticContact CE3-NE2 3.87Å; W253-H261 AromaticContact CZ3-CG 3.91Å; W253-H261 AromaticContact CZ3-ND1 3.85Å; M259-H261 VanDerWaalsContact CG-NE2 3.3Å; M259-H261 WeakPolarHBondContact CG-NE2 3.28Å
262	T	98.3	Very high	97.1	Very high	62 Å²	62	53.7 Å²	53.7	38%	0.38	27%	0.273	S	S	.	.			trans	-62.9	155.1	176.9	66.2	0	0	0	0	110.7	I191 V260 S264 A265 V266	I191-T262 WeakPolarHBondContact CG2-OG1 3.25Å; V260-T262 HydrophobicContact CG1-CG2 3.92Å; T262-S264 PolarHBondContact O-N 3.14Å; T262-A265 WeakPolarHBondContact O-CB 3.38Å; T262-A265 PolarHBondContact O-N 2.97Å; T262-A265 PolarHBondContact OG1-N 3.42Å; T262-V266 PolarHBondContact O-N 3.33Å
263	V	98.3	Very high	97.2	Very high	112 Å²	112	53.7 Å²	53.7	68%	0.679	27%	0.273	S	S	*	.	H	α-helix	trans	-54.8	-40.6	176.4	176.2	0	0	0	0	110.8	V266 R267	V263-V266 PolarHBondContact O-N 2.87Å; V263-R267 HydrophobicContact CG1-CG 4.41Å; V263-R267 VanDerWaalsContact O-CG 3.31Å; V263-R267 WeakPolarHBondContact O-CG 3.38Å; V263-R267 PolarHBondContact O-N 2.83Å
264	S	98.3	Very high	97.2	Very high	24 Å²	24	49.1 Å²	49.1	17%	0.168	26%	0.262	C	S	.	.	H	α-helix	trans	-59.3	-46.2	175.2	-53.1	0	0	0	0	112.2	S185 E189 T262 V266 R267 I268	S185-S264 PolarHBondContact OG-OG 3.23Å; E189-S264 PolarHBondContact OE1-OG 2.81Å; E189-S264 VanDerWaalsContact OE2-CB 3.28Å; E189-S264 WeakPolarHBondContact OE2-CB 3.45Å; E189-S264 PolarHBondContact OE2-OG 3.37Å; E189-S264 VanDerWaalsContact OE2-OG 3.13Å; T262-S264 PolarHBondContact O-N 3.14Å; S264-V266 PolarHBondContact O-N 3.48Å; S264-R267 PolarHBondContact O-N 2.91Å; S264-I268 WeakPolarHBondContact O-CD1 3.39Å; S264-I268 VanDerWaalsContact O-CG1 3.3Å; S264-I268 WeakPolarHBondContact O-CG1 3.41Å; S264-I268 PolarHBondContact O-N 3.29Å
265	A	98.2	Very high	97.4	Very high	2 Å²	2	48.9 Å²	48.9	2%	0.017	26%	0.261	C	S	.	.	H	α-helix	trans	-61.7	-42.5	178.3	0	0	0	0	0	112.2	I191 V260 T262 I268 S269	I191-A265 HydrophobicContact CB-CB 3.87Å; I191-A265 HydrophobicContact CG2-CB 4.16Å; V260-A265 HydrophobicContact CG1-CB 4.12Å; T262-A265 WeakPolarHBondContact O-CB 3.38Å; T262-A265 PolarHBondContact O-N 2.97Å; T262-A265 PolarHBondContact OG1-N 3.42Å; A265-I268 PolarHBondContact O-N 3.05Å; A265-S269 PolarHBondContact O-N 2.7Å; A265-S269 VanDerWaalsContact O-N 3.1Å
266	V	98.6	Very high	97.6	Very high	59 Å²	59	41.3 Å²	41.3	36%	0.358	22%	0.22	S	C	.	.	H	α-helix	trans	-65.2	-42.1	176	173.5	0	0	0	0	111.5	P250 T262 V263 S264 I268 S269 F270	P250-V266 HydrophobicContact CB-CG1 4.31Å; P250-V266 HydrophobicContact CB-CG2 4.42Å; T262-V266 PolarHBondContact O-N 3.33Å; V263-V266 PolarHBondContact O-N 2.87Å; S264-V266 PolarHBondContact O-N 3.48Å; V266-I268 VanDerWaalsContact C-N 3.33Å; V266-I268 PolarHBondContact O-N 3.08Å; V266-S269 VanDerWaalsContact O-CB 3.28Å; V266-S269 WeakPolarHBondContact O-CB 3.47Å; V266-S269 PolarHBondContact O-N 3.31Å; V266-F270 PolarHBondContact O-N 3.15Å; V266-F270 VanDerWaalsContact O-N 3.15Å
267	R	98.3	Very high	97.7	Very high	81 Å²	81	37.7 Å²	37.7	31%	0.306	21%	0.205	S	C	.	.	H	α-helix	trans	-61.3	-42.1	176.1	-73	175.8	72	-157.2	1.1	111.6	D181 V263 S264 S269 F270 Y271	D181-R267 IonicContact OD1-NH2 3.96Å; D181-R267 IonicContact OD2-CZ 3.35Å; D181-R267 IonicContact OD2-NH1 2.95Å; D181-R267 PolarHBondContact OD2-NH1 3.15Å; D181-R267 IonicContact OD2-NH2 3.66Å; D181-R267 PolarHBondContact OD2-NH2 3.35Å; V263-R267 HydrophobicContact CG1-CG 4.41Å; V263-R267 VanDerWaalsContact O-CG 3.31Å; V263-R267 WeakPolarHBondContact O-CG 3.38Å; V263-R267 PolarHBondContact O-N 2.83Å; S264-R267 PolarHBondContact O-N 2.91Å; R267-S269 VanDerWaalsContact C-N 3.32Å; R267-S269 PolarHBondContact O-N 2.94Å; R267-F270 PolarHBondContact O-N 3.01Å; R267-Y271 WeakPolarHBondContact O-CD2 3.47Å; R267-Y271 PolarHBondContact O-N 2.91Å
268	I	97.9	Very high	98	Very high	2 Å²	2	34.3 Å²	34.3	1%	0.01	18%	0.184	C	C	.	.	H	α-helix	trans	-61.1	-42.6	177.2	-72.8	158.6	0	0	0	111.6	V182 L186 I191 W244 S264 A265 V266 F270 Y271 T272	V182-I268 HydrophobicContact CG1-CG1 3.76Å; L186-I268 HydrophobicContact CB-CD1 4.46Å; L186-I268 HydrophobicContact CD1-CD1 4.47Å; L186-I268 HydrophobicContact CD1-CG1 4.19Å; L186-I268 HydrophobicContact CD1-CG2 4.38Å; L186-I268 HydrophobicContact CD2-CB 4.5Å; L186-I268 HydrophobicContact CD2-CD1 3.54Å; L186-I268 HydrophobicContact CD2-CG1 3.99Å; L186-I268 HydrophobicContact CD2-CG2 3.73Å; L186-I268 HydrophobicContact CG-CD1 3.48Å; L186-I268 VanDerWaalsContact CG-CD1 3.48Å; L186-I268 HydrophobicContact CG-CG1 3.71Å; L186-I268 HydrophobicContact CG-CG2 4.23Å; I191-I268 HydrophobicContact CB-CD1 4.5Å; I191-I268 HydrophobicContact CD1-CD1 3.05Å; I191-I268 HydrophobicContact CD1-CG1 4.49Å; I191-I268 HydrophobicContact CG1-CD1 3.57Å; W244-I268 HydrophobicContact CH2-CG2 3.63Å; W244-I268 HydrophobicContact CZ3-CG2 3.77Å; S264-I268 WeakPolarHBondContact O-CD1 3.39Å; S264-I268 VanDerWaalsContact O-CG1 3.3Å; S264-I268 WeakPolarHBondContact O-CG1 3.41Å; S264-I268 PolarHBondContact O-N 3.29Å; A265-I268 PolarHBondContact O-N 3.05Å; V266-I268 VanDerWaalsContact C-N 3.33Å; V266-I268 PolarHBondContact O-N 3.08Å; I268-F270 VanDerWaalsContact C-N 3.33Å; I268-F270 PolarHBondContact O-N 2.73Å; I268-Y271 PolarHBondContact O-N 2.55Å; I268-T272 VanDerWaalsContact O-CB 3.29Å; I268-T272 WeakPolarHBondContact O-CB 3.23Å; I268-T272 PolarHBondContact O-N 2.72Å; I268-T272 PolarHBondContact O-OG1 3.39Å
269	S	98.6	Very high	98.2	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.014	19%	0.185	C	C	.	.	H	α-helix	trans	-52.3	-54.5	173	-170.5	0	0	0	0	110.4	F64 P246 P250 A265 V266 R267 Y271 T272 G273	F64-S269 WeakPolarHBondContact CE2-O 3.36Å; P246-S269 WeakPolarHBondContact O-CB 2.92Å; P246-S269 PolarHBondContact O-OG 2.81Å; P250-S269 WeakPolarHBondContact CG-OG 3.38Å; A265-S269 PolarHBondContact O-N 2.7Å; A265-S269 VanDerWaalsContact O-N 3.1Å; V266-S269 VanDerWaalsContact O-CB 3.28Å; V266-S269 WeakPolarHBondContact O-CB 3.47Å; V266-S269 PolarHBondContact O-N 3.31Å; R267-S269 VanDerWaalsContact C-N 3.32Å; R267-S269 PolarHBondContact O-N 2.94Å; S269-Y271 PolarHBondContact O-N 3.35Å; S269-T272 PolarHBondContact O-N 3.2Å; S269-G273 PolarHBondContact O-N 2.97Å
270	F	98.6	Very high	98.4	Very high	90 Å²	90	33.6 Å²	33.6	40%	0.395	18%	0.181	S	C	.	.	H	α-helix	trans	-58.9	-49.3	179.9	176.8	-98.2	0	0	0	113	S67 V266 R267 I268 T272 G273 S274	S67-F270 WeakPolarHBondContact O-CE2 3.17Å; V266-F270 PolarHBondContact O-N 3.15Å; V266-F270 VanDerWaalsContact O-N 3.15Å; R267-F270 PolarHBondContact O-N 3.01Å; I268-F270 VanDerWaalsContact C-N 3.33Å; I268-F270 PolarHBondContact O-N 2.73Å; F270-T272 VanDerWaalsContact C-N 3.28Å; F270-T272 PolarHBondContact O-N 3.3Å; F270-G273 PolarHBondContact O-N 3.16Å; F270-S274 WeakPolarHBondContact O-CB 3Å; F270-S274 PolarHBondContact O-N 3.32Å
271	Y	98.6	Very high	98.4	Very high	63 Å²	63	34.4 Å²	34.4	25%	0.247	18%	0.184	C	C	.	.	H	α-helix	trans	-65.8	-32.1	-178.8	-80.1	-74.3	0	0	0	112.9	P179 V182 R267 I268 S269 F275	P179-Y271 HydrophobicContact CG-CD1 4.3Å; P179-Y271 HydrophobicContact CG-CE1 3.56Å; P179-Y271 HydrophobicContact CG-CE2 3.9Å; P179-Y271 WeakPolarHBondContact CG-OH 3.38Å; V182-Y271 HydrophobicContact CB-CD2 4.46Å; V182-Y271 HydrophobicContact CG1-CD2 4.02Å; V182-Y271 HydrophobicContact CG2-CD2 3.84Å; V182-Y271 HydrophobicContact CG2-CE2 3.76Å; R267-Y271 WeakPolarHBondContact O-CD2 3.47Å; R267-Y271 PolarHBondContact O-N 2.91Å; I268-Y271 PolarHBondContact O-N 2.55Å; S269-Y271 PolarHBondContact O-N 3.35Å; Y271-F275 WeakPolarHBondContact O-CB 3.49Å; Y271-F275 PolarHBondContact O-N 2.87Å
272	T	98.5	Very high	98.5	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.012	18%	0.18	C	C	.	.	H	α-helix	trans	-67.1	-46.5	174.6	-53.9	0	0	0	0	111	F64 W132 P246 I268 S269 F270 F276	F64-T272 HydrophobicContact CZ-CG2 4.07Å; W132-T272 HydrophobicContact CH2-CG2 3.26Å; W132-T272 HydrophobicContact CZ2-CG2 3.27Å; W132-T272 HydrophobicContact CZ3-CG2 4.32Å; P246-T272 HydrophobicContact CB-CG2 3.94Å; P246-T272 HydrophobicContact CG-CG2 4.04Å; I268-T272 VanDerWaalsContact O-CB 3.29Å; I268-T272 WeakPolarHBondContact O-CB 3.23Å; I268-T272 PolarHBondContact O-N 2.72Å; I268-T272 PolarHBondContact O-OG1 3.39Å; S269-T272 PolarHBondContact O-N 3.2Å; F270-T272 VanDerWaalsContact C-N 3.28Å; F270-T272 PolarHBondContact O-N 3.3Å; T272-F276 PolarHBondContact O-N 3.44Å
273	G	98.6	Very high	98.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.6	-46.9	175.6	0	0	0	0	0	112	F64 A68 S269 F270 F275 F276 V277	F64-G273 VanDerWaalsContact CZ-N 3.31Å; A68-G273 VanDerWaalsContact CB-C 3.41Å; S269-G273 PolarHBondContact O-N 2.97Å; F270-G273 PolarHBondContact O-N 3.16Å; G273-F275 VanDerWaalsContact C-N 3.32Å; G273-F275 PolarHBondContact O-N 2.97Å; G273-F276 PolarHBondContact O-N 3.08Å; G273-F276 VanDerWaalsContact O-N 3.08Å; G273-V277 WeakPolarHBondContact O-CG2 3.38Å; G273-V277 PolarHBondContact O-N 2.93Å
274	S	98.6	Very high	98.4	Very high	44 Å²	44	29.2 Å²	29.2	31%	0.308	15%	0.147	S	C	.	.	H	α-helix	trans	-56.5	-44	178.2	-176.2	0	0	0	0	112.1	F270 S278	F270-S274 WeakPolarHBondContact O-CB 3Å; F270-S274 PolarHBondContact O-N 3.32Å; S274-S278 WeakPolarHBondContact O-CB 3.28Å; S274-S278 PolarHBondContact O-N 2.68Å
275	F	98.8	Very high	98.4	Very high	9 Å²	9	28.7 Å²	28.7	4%	0.039	14%	0.142	C	C	.	.	H	α-helix	trans	-57.9	-51.9	172.8	168.8	-96.7	0	0	0	111.6	W132 R173 L174 F178 Y240 Y271 G273 V277 S278 E279	W132-F275 AromaticContact CZ3-CD1 3.99Å; W132-F275 HydrophobicContact CZ3-CD1 3.99Å; W132-F275 HydrophobicContact CZ3-CE1 4.24Å; R173-F275 VanDerWaalsContact C-CE2 3.44Å; R173-F275 HydrophobicContact CB-CE2 4.22Å; R173-F275 HydrophobicContact CB-CZ 4.19Å; R173-F275 WeakPolarHBondContact O-CE2 3.4Å; L174-F275 HydrophobicContact CB-CD1 4.49Å; L174-F275 HydrophobicContact CB-CE1 4.13Å; L174-F275 HydrophobicContact CB-CZ 4.19Å; L174-F275 HydrophobicContact CD1-CB 4.19Å; L174-F275 HydrophobicContact CD1-CD1 3.16Å; L174-F275 HydrophobicContact CD1-CD2 4.42Å; L174-F275 HydrophobicContact CD1-CE1 3.55Å; L174-F275 HydrophobicContact CD1-CG 3.65Å; L174-F275 HydrophobicContact CD1-CZ 4.32Å; L174-F275 HydrophobicContact CG-CD1 4.4Å; L174-F275 HydrophobicContact CG-CE1 4.45Å; F178-F275 HydrophobicContact CE1-CB 4.36Å; Y240-F275 AromaticContact CD1-CE1 3.66Å; Y240-F275 HydrophobicContact CD1-CE1 3.66Å; Y240-F275 AromaticContact CD1-CZ 3.93Å; Y240-F275 HydrophobicContact CD1-CZ 3.93Å; Y240-F275 AromaticContact CD2-CE1 3.91Å; Y240-F275 HydrophobicContact CD2-CE1 3.91Å; Y240-F275 HydrophobicContact CD2-CZ 4.46Å; Y240-F275 AromaticContact CE1-CE1 3.63Å; Y240-F275 HydrophobicContact CE1-CE1 3.63Å; Y240-F275 AromaticContact CE1-CZ 3.41Å; Y240-F275 HydrophobicContact CE1-CZ 3.41Å; Y240-F275 VanDerWaalsContact CE1-CZ 3.41Å; Y240-F275 AromaticContact CE2-CE1 3.86Å; Y240-F275 HydrophobicContact CE2-CE1 3.86Å; Y240-F275 AromaticContact CE2-CZ 3.98Å; Y240-F275 HydrophobicContact CE2-CZ 3.98Å; Y240-F275 AromaticContact CG-CE1 3.81Å; Y240-F275 HydrophobicContact CG-CE1 3.81Å; Y240-F275 HydrophobicContact CG-CZ 4.44Å; Y240-F275 AromaticContact CZ-CE1 3.73Å; Y240-F275 AromaticContact CZ-CZ 3.44Å; Y240-F275 VanDerWaalsContact CZ-CZ 3.44Å; Y271-F275 WeakPolarHBondContact O-CB 3.49Å; Y271-F275 PolarHBondContact O-N 2.87Å; G273-F275 VanDerWaalsContact C-N 3.32Å; G273-F275 PolarHBondContact O-N 2.97Å; F275-V277 VanDerWaalsContact C-N 3.35Å; F275-V277 PolarHBondContact O-N 3.33Å; F275-S278 WeakPolarHBondContact O-CB 3.27Å; F275-S278 PolarHBondContact O-N 3.32Å; F275-S278 VanDerWaalsContact O-N 3.11Å; F275-S278 PolarHBondContact O-OG 2.96Å; F275-E279 HydrophobicContact CE1-CG 3.97Å; F275-E279 HydrophobicContact CE2-CG 4.14Å; F275-E279 HydrophobicContact CZ-CG 3.76Å; F275-E279 PolarHBondContact O-N 3.12Å; F275-E279 VanDerWaalsContact O-N 3.12Å
276	F	98.8	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-66.1	-37.7	-176.3	-177.7	-128.3	0	0	0	112.6	I37 L65 L94 L95 P130 W132 T272 G273 S278 E279 A280	I37-F276 HydrophobicContact CD1-CD1 4.13Å; I37-F276 HydrophobicContact CD1-CE1 3.98Å; I37-F276 HydrophobicContact CG2-CE1 3.76Å; I37-F276 HydrophobicContact CG2-CZ 4.31Å; L65-F276 HydrophobicContact CD2-CD1 3.77Å; L65-F276 HydrophobicContact CD2-CE1 4.12Å; L94-F276 WeakPolarHBondContact O-CZ 3.44Å; L95-F276 HydrophobicContact CB-CE1 4.17Å; P130-F276 HydrophobicContact CB-CE2 3.88Å; P130-F276 HydrophobicContact CG-CE2 4.15Å; W132-F276 HydrophobicContact CB-CD1 3.8Å; W132-F276 HydrophobicContact CB-CD2 3.82Å; W132-F276 HydrophobicContact CB-CE1 3.53Å; W132-F276 HydrophobicContact CB-CE2 3.57Å; W132-F276 HydrophobicContact CB-CG 3.94Å; W132-F276 HydrophobicContact CB-CZ 3.44Å; W132-F276 VanDerWaalsContact CB-CZ 3.44Å; W132-F276 HydrophobicContact CD2-CB 4.35Å; W132-F276 HydrophobicContact CD2-CD2 4.45Å; W132-F276 HydrophobicContact CD2-CG 4.19Å; W132-F276 HydrophobicContact CE3-CB 3.72Å; W132-F276 AromaticContact CE3-CD2 3.86Å; W132-F276 HydrophobicContact CE3-CD2 3.86Å; W132-F276 AromaticContact CE3-CG 3.79Å; W132-F276 HydrophobicContact CE3-CG 3.79Å; W132-F276 HydrophobicContact CG-CD1 4.21Å; W132-F276 HydrophobicContact CG-CD2 4.48Å; W132-F276 HydrophobicContact CG-CE1 4.37Å; W132-F276 HydrophobicContact CG-CG 4.28Å; W132-F276 HydrophobicContact CZ3-CB 4.19Å; T272-F276 PolarHBondContact O-N 3.44Å; G273-F276 PolarHBondContact O-N 3.08Å; G273-F276 VanDerWaalsContact O-N 3.08Å; F276-S278 VanDerWaalsContact C-N 3.31Å; F276-S278 PolarHBondContact O-N 3.23Å; F276-E279 WeakPolarHBondContact O-CB 3.32Å; F276-E279 PolarHBondContact O-N 2.87Å; F276-E279 VanDerWaalsContact O-N 3.15Å; F276-A280 PolarHBondContact O-N 3.39Å; F276-A280 VanDerWaalsContact O-N 3.14Å
277	V	98.8	Very high	98.4	Very high	7 Å²	7	35.9 Å²	35.9	4%	0.042	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-41.8	172.3	174.7	0	0	0	0	110.7	P35 I37 A68 A70 G273 F275 E279 A280 L281	P35-V277 HydrophobicContact CG-CG1 3.96Å; I37-V277 HydrophobicContact CD1-CG2 4.05Å; A68-V277 HydrophobicContact CB-CB 4.2Å; A68-V277 HydrophobicContact CB-CG2 3.55Å; A70-V277 HydrophobicContact CB-CB 4.48Å; A70-V277 HydrophobicContact CB-CG1 4.04Å; A70-V277 HydrophobicContact CB-CG2 3.64Å; G273-V277 WeakPolarHBondContact O-CG2 3.38Å; G273-V277 PolarHBondContact O-N 2.93Å; F275-V277 VanDerWaalsContact C-N 3.35Å; F275-V277 PolarHBondContact O-N 3.33Å; V277-E279 PolarHBondContact O-N 2.98Å; V277-A280 WeakPolarHBondContact O-CA 3.3Å; V277-A280 WeakPolarHBondContact O-CB 3.36Å; V277-A280 PolarHBondContact O-N 3.24Å; V277-L281 WeakPolarHBondContact O-CG 3.28Å; V277-L281 PolarHBondContact O-N 3.09Å; V277-L281 VanDerWaalsContact O-N 3.07Å
278	S	98.4	Very high	98.3	Very high	45 Å²	45	36.2 Å²	36.2	32%	0.315	18%	0.178	S	C	.	.	H	α-helix	trans	-61.5	-27.8	176.3	83.5	0	0	0	0	113.6	S274 F275 F276	S274-S278 WeakPolarHBondContact O-CB 3.28Å; S274-S278 PolarHBondContact O-N 2.68Å; F275-S278 WeakPolarHBondContact O-CB 3.27Å; F275-S278 PolarHBondContact O-N 3.32Å; F275-S278 VanDerWaalsContact O-N 3.11Å; F275-S278 PolarHBondContact O-OG 2.96Å; F276-S278 VanDerWaalsContact C-N 3.31Å; F276-S278 PolarHBondContact O-N 3.23Å
279	E	98.7	Very high	98.2	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.019	20%	0.196	C	C	.	.	H	α-helix	trans	-72.4	-39.4	172.4	-66.5	-73.5	105.2	0	0	111.3	Y128 P130 Y240 F275 F276 V277 L281 K282	Y128-E279 WeakPolarHBondContact CE1-O 3.44Å; Y128-E279 VanDerWaalsContact OH-CD 3.31Å; Y128-E279 PolarHBondContact OH-OE1 3.37Å; Y128-E279 PolarHBondContact OH-OE2 3.1Å; P130-E279 HydrophobicContact CB-CB 3.82Å; P130-E279 HydrophobicContact CG-CB 4.05Å; Y240-E279 HydrophobicContact CE2-CB 4.46Å; Y240-E279 HydrophobicContact CE2-CG 3.77Å; Y240-E279 WeakPolarHBondContact CE2-OE2 3.32Å; Y240-E279 VanDerWaalsContact CZ-OE2 3.3Å; Y240-E279 VanDerWaalsContact OH-CD 3.24Å; Y240-E279 PolarHBondContact OH-OE2 2.63Å; F275-E279 HydrophobicContact CE1-CG 3.97Å; F275-E279 HydrophobicContact CE2-CG 4.14Å; F275-E279 HydrophobicContact CZ-CG 3.76Å; F275-E279 PolarHBondContact O-N 3.12Å; F275-E279 VanDerWaalsContact O-N 3.12Å; F276-E279 WeakPolarHBondContact O-CB 3.32Å; F276-E279 PolarHBondContact O-N 2.87Å; F276-E279 VanDerWaalsContact O-N 3.15Å; V277-E279 PolarHBondContact O-N 2.98Å; E279-L281 VanDerWaalsContact C-N 3.31Å; E279-L281 PolarHBondContact O-N 3.26Å; E279-K282 WeakPolarHBondContact O-CB 3.36Å; E279-K282 PolarHBondContact O-N 3.15Å; E279-K282 IonicContact OE1-NZ 3.16Å; E279-K282 PolarHBondContact OE1-NZ 2.75Å
280	A	98.7	Very high	98.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-66.9	-30.9	178.1	0	0	0	0	0	112.6	P35 I37 N92 P130 F276 V277 K282 S283	P35-A280 HydrophobicContact CB-CB 4.03Å; I37-A280 HydrophobicContact CD1-CB 3.79Å; I37-A280 HydrophobicContact CG1-CB 3.84Å; N92-A280 HydrophobicContact CB-CB 4.15Å; P130-A280 HydrophobicContact CG-CB 4.34Å; F276-A280 PolarHBondContact O-N 3.39Å; F276-A280 VanDerWaalsContact O-N 3.14Å; V277-A280 WeakPolarHBondContact O-CA 3.3Å; V277-A280 WeakPolarHBondContact O-CB 3.36Å; V277-A280 PolarHBondContact O-N 3.24Å; A280-K282 PolarHBondContact O-N 3.44Å; A280-S283 WeakPolarHBondContact O-CB 3.27Å; A280-S283 PolarHBondContact O-N 2.94Å
281	L	98.1	Very high	98.2	Very high	39 Å²	39	41.2 Å²	41.2	20%	0.204	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-22.2	174.3	-60.6	180	0	0	0	113.4	H31 N32 P35 V277 E279	H31-L281 WeakPolarHBondContact CA-O 3.16Å; H31-L281 HydrophobicContact CB-CB 4.48Å; N32-L281 PolarHBondContact N-O 2.89Å; N32-L281 WeakPolarHBondContact O-CD2 3.2Å; P35-L281 HydrophobicContact CB-CD2 4.19Å; P35-L281 HydrophobicContact CG-CD2 3.55Å; V277-L281 WeakPolarHBondContact O-CG 3.28Å; V277-L281 PolarHBondContact O-N 3.09Å; V277-L281 VanDerWaalsContact O-N 3.07Å; E279-L281 VanDerWaalsContact C-N 3.31Å; E279-L281 PolarHBondContact O-N 3.26Å
282	K	98.1	Very high	98.1	Very high	63 Å²	63	40.2 Å²	40.2	27%	0.274	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-18.5	-178.3	-59.2	170.4	-174.9	174.9	0	112.6	Y128 E279 A280	Y128-K282 HydrophobicContact CD1-CB 3.66Å; Y128-K282 HydrophobicContact CD1-CD 4.42Å; Y128-K282 HydrophobicContact CE1-CB 3.9Å; Y128-K282 HydrophobicContact CE1-CD 3.83Å; Y128-K282 HydrophobicContact CE1-CG 4.47Å; Y128-K282 HydrophobicContact CE2-CD 4.38Å; Y128-K282 HydrophobicContact CG-CB 4.09Å; E279-K282 WeakPolarHBondContact O-CB 3.36Å; E279-K282 PolarHBondContact O-N 3.15Å; E279-K282 IonicContact OE1-NZ 3.16Å; E279-K282 PolarHBondContact OE1-NZ 2.75Å; A280-K282 PolarHBondContact O-N 3.44Å
283	S	98.2	Very high	98.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.233	C	C	.	.			trans	-78.5	136.2	176.6	-179.7	0	0	0	0	111.4	N92 Y128 A280 H285	N92-S283 PolarHBondContact ND2-O 2.73Å; N92-S283 WeakPolarHBondContact O-CB 2.87Å; Y128-S283 WeakPolarHBondContact O-CA 3.37Å; Y128-S283 WeakPolarHBondContact O-CB 3.34Å; Y128-S283 PolarHBondContact O-OG 3.27Å; A280-S283 WeakPolarHBondContact O-CB 3.27Å; A280-S283 PolarHBondContact O-N 2.94Å; S283-H285 PolarHBondContact OG-N 2.87Å
284	Q	97.3	Very high	98.1	Very high	77 Å²	77	46.9 Å²	46.9	36%	0.36	26%	0.258	S	S	.	.			trans	-96	4.8	179.7	-58.3	-57.2	-60.3	0	0	113.8	Q30 R286	Q30-Q284 PolarHBondContact O-NE2 3.07Å; Q30-Q284 PolarHBondContact O-OE1 2.62Å; Q284-R286 PolarHBondContact O-NH1 3.26Å
285	H	98.4	Very high	98.1	Very high	14 Å²	14	52 Å²	52	7%	0.065	27%	0.27	C	S	.	.			trans	-60.4	148.7	177.1	-71.6	-167.5	0	0	0	111.6	F88 N89 I91 N92 D127 F129 S283	F88-H285 AromaticContact CD1-CE1 3.99Å; F88-H285 AromaticContact CE1-CE1 3.63Å; F88-H285 PolarHBondContact O-CE1 2.83Å; F88-H285 PolarHBondContact O-ND1 2.83Å; N89-H285 WeakPolarHBondContact O-CB 3.18Å; I91-H285 WeakPolarHBondContact O-CB 3.23Å; I91-H285 PolarHBondContact O-ND1 2.87Å; N92-H285 PolarHBondContact ND2-O 3.02Å; D127-H285 IonicContact OD1-CD2 3.13Å; D127-H285 IonicContact OD1-NE2 3.28Å; D127-H285 PolarHBondContact OD1-NE2 3.07Å; D127-H285 IonicContact OD2-CD2 3.63Å; D127-H285 IonicContact OD2-CE1 2.71Å; D127-H285 IonicContact OD2-NE2 2.71Å; D127-H285 PolarHBondContact OD2-NE2 3.27Å; F129-H285 AromaticContact CD2-CE1 3.65Å; F129-H285 AromaticContact CD2-ND1 3.69Å; F129-H285 AromaticContact CE2-ND1 3.9Å; S283-H285 PolarHBondContact OG-N 2.87Å
286	R	97.8	Very high	98.1	Very high	186 Å²	186	53 Å²	53	70%	0.702	28%	0.28	S	S	*	.			trans	-161.8	152.2	178.9	58.5	-169.7	179.1	-86.7	1.8	110	S90 Q284	S90-R286 CarbonylContact O-C 3.58Å; S90-R286 WeakPolarHBondContact O-CA 3.43Å; Q284-R286 PolarHBondContact O-NH1 3.26Å
287	F	98.2	Very high	98.1	Very high	25 Å²	25	53.4 Å²	53.4	11%	0.11	28%	0.283	C	S	.	.			trans	-61.6	152.7	170.2	-73.7	-94	0	0	0	110.9	I36 I91 N289 E292 E293 A296	I36-F287 HydrophobicContact CD1-CD2 3.73Å; I36-F287 HydrophobicContact CD1-CE2 3.56Å; I36-F287 HydrophobicContact CG2-CE2 4.21Å; I91-F287 HydrophobicContact CG2-CE2 4.33Å; I91-F287 HydrophobicContact CG2-CZ 4.22Å; F287-N289 PolarHBondContact O-N 3.42Å; F287-E292 HydrophobicContact CD1-CB 4.21Å; F287-E293 HydrophobicContact CB-CB 3.8Å; F287-E293 HydrophobicContact CB-CG 4.48Å; F287-E293 HydrophobicContact CD1-CB 4.45Å; F287-E293 HydrophobicContact CD2-CB 3.92Å; F287-E293 HydrophobicContact CD2-CG 3.79Å; F287-E293 HydrophobicContact CE2-CG 4.34Å; F287-E293 HydrophobicContact CG-CB 3.79Å; F287-E293 HydrophobicContact CG-CG 4.2Å; F287-A296 HydrophobicContact CD1-CB 4.41Å; F287-A296 HydrophobicContact CE1-CB 3.41Å; F287-A296 VanDerWaalsContact CE1-CB 3.41Å; F287-A296 HydrophobicContact CZ-CB 3.54Å
288	S	96.2	Very high	98.1	Very high	88 Å²	88	53.1 Å²	53.1	62%	0.615	28%	0.281	S	S	*	.	S	Bend	trans	-64	-30.3	-178.3	72.2	0	0	0	0	112.7	E292	S288-E292 VanDerWaalsContact OG-CD 3.25Å; S288-E292 PolarHBondContact OG-OE2 3.23Å
289	N	97.3	Very high	98.1	Very high	73 Å²	73	57.5 Å²	57.5	39%	0.39	29%	0.292	S	S	.	.	S	Bend	trans	-158.6	163.5	177.6	63.3	79.4	0	0	0	111.2	F287 A291 E292 E293	F287-N289 PolarHBondContact O-N 3.42Å; N289-A291 VanDerWaalsContact C-N 3.29Å; N289-A291 PolarHBondContact O-N 2.74Å; N289-A291 WeakPolarHBondContact OD1-CB 3.29Å; N289-A291 PolarHBondContact OD1-N 3.35Å; N289-A291 VanDerWaalsContact OD1-N 3.08Å; N289-E292 PolarHBondContact O-N 2.87Å; N289-E292 PolarHBondContact OD1-N 3.21Å; N289-E293 PolarHBondContact O-N 2.83Å; N289-E293 VanDerWaalsContact O-N 3.11Å
290	A	97.6	Very high	98.1	Very high	79 Å²	79	61.4 Å²	61.4	65%	0.653	31%	0.313	S	S	*	.	H	α-helix	trans	-62	-30.6	-177.3	0	0	0	0	0	114	E293 D294	A290-E293 PolarHBondContact O-N 3.49Å; A290-D294 VanDerWaalsContact O-CB 3.3Å; A290-D294 WeakPolarHBondContact O-CB 3.45Å; A290-D294 PolarHBondContact O-N 3.31Å
291	A	98.2	Very high	98.1	Very high	48 Å²	48	64.5 Å²	64.5	40%	0.397	33%	0.326	S	S	.	.	H	α-helix	trans	-75	-34.1	-179.8	0	0	0	0	0	112.1	N289 R295	N289-A291 VanDerWaalsContact C-N 3.29Å; N289-A291 PolarHBondContact O-N 2.74Å; N289-A291 WeakPolarHBondContact OD1-CB 3.29Å; N289-A291 PolarHBondContact OD1-N 3.35Å; N289-A291 VanDerWaalsContact OD1-N 3.08Å; A291-R295 WeakPolarHBondContact O-CG 3.4Å; A291-R295 PolarHBondContact O-N 3.46Å; A291-R295 PolarHBondContact O-NH1 2.72Å
292	E	97.9	Very high	98.1	Very high	41 Å²	41	67.7 Å²	67.7	19%	0.192	35%	0.352	C	S	.	.	H	α-helix	trans	-67.8	-40.6	169.7	-76.3	-164.9	161	0	0	111.9	K86 F287 S288 N289 A296	K86-E292 IonicContact NZ-OE1 2.73Å; K86-E292 PolarHBondContact NZ-OE1 3.48Å; K86-E292 IonicContact NZ-OE2 3.58Å; F287-E292 HydrophobicContact CD1-CB 4.21Å; S288-E292 VanDerWaalsContact OG-CD 3.25Å; S288-E292 PolarHBondContact OG-OE2 3.23Å; N289-E292 PolarHBondContact O-N 2.87Å; N289-E292 PolarHBondContact OD1-N 3.21Å; E292-A296 WeakPolarHBondContact O-CB 3.38Å; E292-A296 PolarHBondContact O-N 2.72Å
293	E	98.5	Very high	98.1	Very high	43 Å²	43	66.6 Å²	66.6	20%	0.201	35%	0.351	C	S	.	.	H	α-helix	trans	-58.7	-54.9	174.3	-173.3	171.6	129.8	0	0	110.8	I36 R71 F287 N289 A290 R295 A296 L297	I36-E293 HydrophobicContact CD1-CG 3.58Å; R71-E293 IonicContact CZ-OE1 2.64Å; R71-E293 VanDerWaalsContact CZ-OE1 3.28Å; R71-E293 IonicContact NH1-OE1 2.62Å; R71-E293 PolarHBondContact NH1-OE1 3.06Å; R71-E293 IonicContact NH2-OE1 3.33Å; R71-E293 PolarHBondContact NH2-OE1 2.83Å; R71-E293 VanDerWaalsContact NH2-OE1 3.13Å; F287-E293 HydrophobicContact CB-CB 3.8Å; F287-E293 HydrophobicContact CB-CG 4.48Å; F287-E293 HydrophobicContact CD1-CB 4.45Å; F287-E293 HydrophobicContact CD2-CB 3.92Å; F287-E293 HydrophobicContact CD2-CG 3.79Å; F287-E293 HydrophobicContact CE2-CG 4.34Å; F287-E293 HydrophobicContact CG-CB 3.79Å; F287-E293 HydrophobicContact CG-CG 4.2Å; N289-E293 PolarHBondContact O-N 2.83Å; N289-E293 VanDerWaalsContact O-N 3.11Å; A290-E293 PolarHBondContact O-N 3.49Å; E293-R295 VanDerWaalsContact C-N 3.35Å; E293-R295 PolarHBondContact O-N 3.33Å; E293-A296 PolarHBondContact O-N 2.85Å; E293-L297 WeakPolarHBondContact O-CG 3.48Å; E293-L297 PolarHBondContact O-N 2.79Å
294	D	98.4	Very high	98	Very high	99 Å²	99	67.3 Å²	67.3	53%	0.529	36%	0.355	S	S	.	.	H	α-helix	trans	-52.5	-50.6	-177.9	-178.1	66.8	0	0	0	111.7	A290 A296 L297 N300	A290-D294 VanDerWaalsContact O-CB 3.3Å; A290-D294 WeakPolarHBondContact O-CB 3.45Å; A290-D294 PolarHBondContact O-N 3.31Å; D294-A296 PolarHBondContact O-N 2.88Å; D294-L297 PolarHBondContact O-N 3.2Å; D294-N300 PolarHBondContact O-ND2 3.25Å
295	R	98.1	Very high	98	Very high	151 Å²	151	69.5 Å²	69.5	57%	0.57	36%	0.361	S	S	*	.	H	α-helix	trans	-64.8	-23.4	178.6	-70.6	-171.6	-60.7	-90.6	1.1	114.6	A291 E293	A291-R295 WeakPolarHBondContact O-CG 3.4Å; A291-R295 PolarHBondContact O-N 3.46Å; A291-R295 PolarHBondContact O-NH1 2.72Å; E293-R295 VanDerWaalsContact C-N 3.35Å; E293-R295 PolarHBondContact O-N 3.33Å
296	A	98.3	Very high	97.9	Very high	30 Å²	30	70.5 Å²	70.5	25%	0.248	37%	0.365	C	S	.	.	H	α-helix	trans	-87.4	-13.8	-176.6	0	0	0	0	0	113.1	P74 F287 E292 E293 D294	P74-A296 WeakPolarHBondContact CD-O 3.38Å; F287-A296 HydrophobicContact CD1-CB 4.41Å; F287-A296 HydrophobicContact CE1-CB 3.41Å; F287-A296 VanDerWaalsContact CE1-CB 3.41Å; F287-A296 HydrophobicContact CZ-CB 3.54Å; E292-A296 WeakPolarHBondContact O-CB 3.38Å; E292-A296 PolarHBondContact O-N 2.72Å; E293-A296 PolarHBondContact O-N 2.85Å; D294-A296 PolarHBondContact O-N 2.88Å
297	L	98.8	Very high	97.6	Very high	10 Å²	10	62.6 Å²	62.6	5%	0.052	34%	0.34	C	S	.	.	S	Bend	trans	-77.1	151.2	-175.4	-67.6	176.1	0	0	0	112.8	I36 R71 E293 D294 Y299 N300	I36-L297 HydrophobicContact CD1-CD2 4.19Å; I36-L297 HydrophobicContact CG1-CD2 4.34Å; I36-L297 HydrophobicContact CG2-CD2 4.05Å; R71-L297 HydrophobicContact CB-CD2 4.03Å; E293-L297 WeakPolarHBondContact O-CG 3.48Å; E293-L297 PolarHBondContact O-N 2.79Å; D294-L297 PolarHBondContact O-N 3.2Å; L297-Y299 HydrophobicContact CB-CD2 3.94Å; L297-Y299 HydrophobicContact CB-CG 4.48Å; L297-Y299 HydrophobicContact CD1-CD2 3.88Å; L297-Y299 HydrophobicContact CD1-CE2 4.07Å; L297-Y299 HydrophobicContact CG-CD2 4.49Å; L297-Y299 PolarHBondContact O-N 2.82Å; L297-Y299 VanDerWaalsContact O-N 3.09Å; L297-N300 PolarHBondContact O-N 3.43Å; L297-N300 PolarHBondContact O-ND2 3.31Å
298	I	98.8	Very high	97.3	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.005	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-58.6	-21.1	176.4	-163.5	60.5	0	0	0	113	V62 V72 P74 N300 F301 Y316 F318	V62-I298 HydrophobicContact CG1-CG1 4.03Å; V62-I298 HydrophobicContact CG1-CG2 3.93Å; V62-I298 HydrophobicContact CG2-CD1 4.45Å; V62-I298 HydrophobicContact CG2-CG1 4.11Å; V72-I298 HydrophobicContact CB-CB 4.26Å; V72-I298 HydrophobicContact CB-CG2 3.97Å; V72-I298 HydrophobicContact CG1-CB 4.32Å; V72-I298 WeakPolarHBondContact O-CB 3.38Å; V72-I298 PolarHBondContact O-N 2.89Å; P74-I298 HydrophobicContact CB-CD1 4.05Å; P74-I298 HydrophobicContact CG-CD1 3.94Å; I298-N300 PolarHBondContact O-N 2.6Å; I298-N300 VanDerWaalsContact O-N 3.12Å; I298-F301 HydrophobicContact CD1-CB 4.34Å; I298-F301 HydrophobicContact CD1-CD2 4.32Å; I298-F301 PolarHBondContact O-N 2.92Å; I298-Y316 HydrophobicContact CD1-CD1 3.82Å; I298-Y316 HydrophobicContact CD1-CD2 4.27Å; I298-Y316 HydrophobicContact CD1-CE1 4.02Å; I298-Y316 HydrophobicContact CD1-CE2 4.47Å; I298-Y316 HydrophobicContact CD1-CG 3.94Å; I298-Y316 HydrophobicContact CG1-CD1 4.26Å; I298-Y316 HydrophobicContact CG1-CE1 3.93Å; I298-Y316 HydrophobicContact CG1-CE2 4.29Å; I298-F318 HydrophobicContact CD1-CE1 4.46Å; I298-F318 HydrophobicContact CD1-CZ 4.08Å
299	Y	98.7	Very high	97	Very high	137 Å²	137	69.4 Å²	69.4	54%	0.537	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-61.5	-17.8	178.6	-55.1	-42.2	0	0	0	114.4	E66 R71 L297 F301	E66-Y299 WeakPolarHBondContact OE1-CE1 3.31Å; E66-Y299 VanDerWaalsContact OE1-CZ 3.26Å; E66-Y299 PolarHBondContact OE1-OH 3.14Å; R71-Y299 HydrophobicContact CG-CE2 4.36Å; L297-Y299 HydrophobicContact CB-CD2 3.94Å; L297-Y299 HydrophobicContact CB-CG 4.48Å; L297-Y299 HydrophobicContact CD1-CD2 3.88Å; L297-Y299 HydrophobicContact CD1-CE2 4.07Å; L297-Y299 HydrophobicContact CG-CD2 4.49Å; L297-Y299 PolarHBondContact O-N 2.82Å; L297-Y299 VanDerWaalsContact O-N 3.09Å; Y299-F301 PolarHBondContact O-N 2.91Å
300	N	98.4	Very high	96.8	Very high	86 Å²	86	66.8 Å²	66.8	46%	0.46	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-82.8	0	174.2	-59.5	-77.2	0	0	0	113.6	D294 L297 I298	D294-N300 PolarHBondContact O-ND2 3.25Å; L297-N300 PolarHBondContact O-N 3.43Å; L297-N300 PolarHBondContact O-ND2 3.31Å; I298-N300 PolarHBondContact O-N 2.6Å; I298-N300 VanDerWaalsContact O-N 3.12Å
301	F	98.1	Very high	96.6	Very high	64 Å²	64	65.7 Å²	65.7	28%	0.281	34%	0.342	S	S	.	.			trans	-122.2	144.4	-174.8	-55.9	-93	0	0	0	109.8	P74 I298 Y299 Y316 F318	P74-F301 HydrophobicContact CG-CD2 4Å; P74-F301 HydrophobicContact CG-CE2 3.63Å; P74-F301 HydrophobicContact CG-CZ 4.12Å; I298-F301 HydrophobicContact CD1-CB 4.34Å; I298-F301 HydrophobicContact CD1-CD2 4.32Å; I298-F301 PolarHBondContact O-N 2.92Å; Y299-F301 PolarHBondContact O-N 2.91Å; F301-Y316 HydrophobicContact CB-CD1 3.81Å; F301-Y316 HydrophobicContact CB-CE1 4.25Å; F301-Y316 WeakPolarHBondContact O-CE1 3.35Å; F301-F318 HydrophobicContact CB-CE1 4.35Å; F301-F318 AromaticContact CD1-CD1 3.69Å; F301-F318 HydrophobicContact CD1-CD1 3.69Å; F301-F318 AromaticContact CD1-CE1 3.49Å; F301-F318 HydrophobicContact CD1-CE1 3.49Å; F301-F318 VanDerWaalsContact CD1-CE1 3.49Å; F301-F318 HydrophobicContact CD2-CE1 4.23Å; F301-F318 AromaticContact CE1-CD1 3.64Å; F301-F318 HydrophobicContact CE1-CD1 3.64Å; F301-F318 AromaticContact CE1-CE1 3.74Å; F301-F318 HydrophobicContact CE1-CE1 3.74Å; F301-F318 HydrophobicContact CE2-CE1 4.45Å; F301-F318 HydrophobicContact CG-CD1 4.42Å; F301-F318 AromaticContact CG-CE1 3.76Å; F301-F318 HydrophobicContact CG-CE1 3.76Å; F301-F318 HydrophobicContact CZ-CD1 4.32Å; F301-F318 HydrophobicContact CZ-CE1 4.22Å
302	S	98.1	Very high	96.4	Very high	106 Å²	106	64.2 Å²	64.2	74%	0.741	33%	0.326	S	S	*	.			trans	-109.3	127	177.1	-63.8	0	0	0	0	109.9
303	P	97.9	Very high	96.4	Very high	41 Å²	41	63.5 Å²	63.5	27%	0.266	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-73.3	149.2	176.7	30.7	-31.4	0	0	0	110.4	Q314 N315 Y316	P303-Q314 HydrophobicContact CB-CB 4.15Å; P303-N315 CarbonylContact C-O 3.56Å; P303-N315 WeakPolarHBondContact CA-O 3.17Å; P303-Y316 HydrophobicContact CB-CD1 4.04Å; P303-Y316 HydrophobicContact CB-CD2 4.12Å; P303-Y316 HydrophobicContact CB-CE1 3.85Å; P303-Y316 HydrophobicContact CB-CE2 3.92Å; P303-Y316 HydrophobicContact CB-CG 4.18Å; P303-Y316 VanDerWaalsContact CD-CE1 3.42Å; P303-Y316 HydrophobicContact CG-CE1 3.94Å; P303-Y316 HydrophobicContact CG-CE2 4.35Å
304	V	98.1	Very high	96.4	Very high	15 Å²	15	64.1 Å²	64.1	9%	0.091	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	129.6	175.4	177.3	0	0	0	0	108.9	F50 R52 Q314 N315 Y317	F50-V304 HydrophobicContact CB-CG1 4.15Å; F50-V304 HydrophobicContact CD1-CG1 4.39Å; R52-V304 VanDerWaalsContact CZ-CG2 3.49Å; V304-Q314 VanDerWaalsContact O-CA 3.31Å; V304-Q314 WeakPolarHBondContact O-CA 3.4Å; V304-N315 PolarHBondContact N-O 2.74Å; V304-N315 PolarHBondContact O-N 2.9Å; V304-Y317 HydrophobicContact CB-CD2 3.96Å; V304-Y317 HydrophobicContact CB-CE2 3.82Å; V304-Y317 HydrophobicContact CG1-CE2 4.33Å; V304-Y317 HydrophobicContact CG2-CD2 3.79Å; V304-Y317 HydrophobicContact CG2-CE2 4.15Å
305	Y	97.2	Very high	96.4	Very high	123 Å²	123	59.4 Å²	59.4	48%	0.482	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	131.9	173	174.1	-119.5	0	0	0	111	G307 L308 I313	Y305-G307 WeakPolarHBondContact OH-CA 3.42Å; Y305-L308 WeakPolarHBondContact OH-CG 3.42Å; Y305-L308 PolarHBondContact OH-N 2.6Å; Y305-I313 HydrophobicContact CD2-CG1 4.11Å; Y305-I313 WeakPolarHBondContact CD2-O 3.25Å; Y305-I313 HydrophobicContact CE2-CD1 4.41Å; Y305-I313 HydrophobicContact CE2-CG1 3.82Å
306	R	94.9	Very high	96.4	Very high	35 Å²	35	53.7 Å²	53.7	13%	0.132	28%	0.28	C	S	.	.			trans	-105.3	-8.2	-172.8	-67	-70	-59.8	173.4	1.8	114.4	D48 A310 F312 I313 N315 Y317	D48-R306 IonicContact OD1-CZ 3.34Å; D48-R306 IonicContact OD1-NH1 2.51Å; D48-R306 PolarHBondContact OD1-NH1 2.71Å; D48-R306 IonicContact OD1-NH2 3.53Å; D48-R306 IonicContact OD2-CZ 3.46Å; D48-R306 IonicContact OD2-NH1 3.23Å; D48-R306 PolarHBondContact OD2-NH1 2.71Å; D48-R306 IonicContact OD2-NH2 3.63Å; R306-A310 HydrophobicContact CB-CB 3.49Å; R306-A310 VanDerWaalsContact CB-CB 3.49Å; R306-F312 WeakPolarHBondContact CB-O 3.07Å; R306-F312 WeakPolarHBondContact CG-O 3.44Å; R306-I313 PolarHBondContact N-O 3.42Å; R306-N315 HydrophobicContact CG-CB 4.36Å; R306-Y317 VanDerWaalsContact CD-OH 3.28Å; R306-Y317 WeakPolarHBondContact CD-OH 2.85Å; R306-Y317 PolarHBondContact NH1-OH 3.3Å
307	G	92.8	Very high	96.4	Very high	19 Å²	19	53.3 Å²	53.3	20%	0.196	27%	0.272	C	S	.	.			trans	98.9	155.8	-171.6	0	0	0	0	0	113.4	Y305 N309 A310	Y305-G307 WeakPolarHBondContact OH-CA 3.42Å; G307-N309 PolarHBondContact O-N 3.34Å; G307-A310 WeakPolarHBondContact O-CB 3.09Å; G307-A310 PolarHBondContact O-N 2.81Å
308	L	90.6	Very high	96.3	Very high	111 Å²	111	53.1 Å²	53.1	58%	0.581	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-25.5	177.9	-63.8	177.2	0	0	0	113.3	Y305 A310 I313	Y305-L308 WeakPolarHBondContact OH-CG 3.42Å; Y305-L308 PolarHBondContact OH-N 2.6Å; L308-A310 VanDerWaalsContact C-N 3.32Å; L308-I313 HydrophobicContact CD2-CD1 4.2Å
309	N	91.1	Very high	95.7	Very high	146 Å²	146	59 Å²	59	78%	0.781	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	0.9	-179.5	-62.7	-24	0	0	0	113.1	I254 G307	I254-N309 WeakPolarHBondContact CD1-O 3.25Å; G307-N309 PolarHBondContact O-N 3.34Å
310	A	92.4	Very high	95.6	Very high	18 Å²	18	55.1 Å²	55.1	15%	0.149	29%	0.291	C	S	.	.	S	Bend	trans	-81.1	143.6	178	0	0	0	0	0	111.2	R306 G307 L308 F312	R306-A310 HydrophobicContact CB-CB 3.49Å; R306-A310 VanDerWaalsContact CB-CB 3.49Å; G307-A310 WeakPolarHBondContact O-CB 3.09Å; G307-A310 PolarHBondContact O-N 2.81Å; L308-A310 VanDerWaalsContact C-N 3.32Å; A310-F312 VanDerWaalsContact CB-O 3.25Å; A310-F312 WeakPolarHBondContact CB-O 3.36Å; A310-F312 PolarHBondContact O-N 3.39Å
311	I	92.6	Very high	95.4	Very high	56 Å²	56	53.5 Å²	53.5	29%	0.287	28%	0.282	S	S	.	.	S	Bend	trans	-57.8	-31.7	174.2	-69.4	-73.4	0	0	0	112	I254 K256	I254-I311 HydrophobicContact CD1-CD1 3.83Å; I254-I311 HydrophobicContact CD1-CG1 4.25Å; I254-I311 HydrophobicContact CG2-CD1 4.3Å; K256-I311 HydrophobicContact CD-CD1 4.12Å
312	F	95.8	Very high	95.3	Very high	16 Å²	16	52.9 Å²	52.9	7%	0.07	28%	0.282	C	S	.	.	S	Bend	trans	-122.5	117.4	172.5	-54.7	-65.8	0	0	0	108.2	Y56 A58 Y61 K248 E252 R306 A310 Q314 N315	Y56-F312 HydrophobicContact CE2-CD2 4.16Å; Y56-F312 HydrophobicContact CE2-CE2 4.21Å; A58-F312 HydrophobicContact CB-CB 3.93Å; A58-F312 HydrophobicContact CB-CD1 3.29Å; A58-F312 HydrophobicContact CB-CD2 3.99Å; A58-F312 HydrophobicContact CB-CE1 3.63Å; A58-F312 HydrophobicContact CB-CE2 4.3Å; A58-F312 HydrophobicContact CB-CG 3.47Å; A58-F312 VanDerWaalsContact CB-CG 3.47Å; A58-F312 HydrophobicContact CB-CZ 4.13Å; Y61-F312 HydrophobicContact CE2-CE1 4.37Å; K248-F312 VanDerWaalsContact NZ-CE1 3.26Å; E252-F312 VanDerWaalsContact OE2-CA 3.27Å; E252-F312 WeakPolarHBondContact OE2-CA 3.28Å; R306-F312 WeakPolarHBondContact CB-O 3.07Å; R306-F312 WeakPolarHBondContact CG-O 3.44Å; A310-F312 VanDerWaalsContact CB-O 3.25Å; A310-F312 WeakPolarHBondContact CB-O 3.36Å; A310-F312 PolarHBondContact O-N 3.39Å; F312-Q314 PolarHBondContact O-N 2.57Å; F312-N315 WeakPolarHBondContact CB-OD1 3.14Å
313	I	96.6	Very high	95.1	Very high	27 Å²	27	49.8 Å²	49.8	14%	0.138	26%	0.255	C	S	.	.	S	Bend	trans	-65.3	-28.8	-176.1	-164.1	165.2	0	0	0	112	E252 Y305 R306 L308	E252-I313 PolarHBondContact OE2-N 2.87Å; Y305-I313 HydrophobicContact CD2-CG1 4.11Å; Y305-I313 WeakPolarHBondContact CD2-O 3.25Å; Y305-I313 HydrophobicContact CE2-CD1 4.41Å; Y305-I313 HydrophobicContact CE2-CG1 3.82Å; R306-I313 PolarHBondContact N-O 3.42Å; L308-I313 HydrophobicContact CD2-CD1 4.2Å
314	Q	98.1	Very high	94.9	Very high	55 Å²	55	50.3 Å²	50.3	26%	0.257	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	135.3	-178.6	-79.6	178.1	-48.4	0	0	110.3	A59 P303 V304 F312	A59-Q314 HydrophobicContact CB-CB 3.64Å; A59-Q314 VanDerWaalsContact CB-O 3.28Å; A59-Q314 WeakPolarHBondContact CB-O 3.34Å; A59-Q314 PolarHBondContact N-O 3.13Å; P303-Q314 HydrophobicContact CB-CB 4.15Å; V304-Q314 VanDerWaalsContact O-CA 3.31Å; V304-Q314 WeakPolarHBondContact O-CA 3.4Å; F312-Q314 PolarHBondContact O-N 2.57Å
315	N	98.2	Very high	94.7	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	136.4	173.6	-75.8	-14.5	0	0	0	110.3	Y56 A58 P303 V304 R306 F312 Y317	Y56-N315 HydrophobicContact CD2-CB 4.15Å; A58-N315 WeakPolarHBondContact CA-OD1 3.47Å; P303-N315 CarbonylContact C-O 3.56Å; P303-N315 WeakPolarHBondContact CA-O 3.17Å; V304-N315 PolarHBondContact N-O 2.74Å; V304-N315 PolarHBondContact O-N 2.9Å; R306-N315 HydrophobicContact CG-CB 4.36Å; F312-N315 WeakPolarHBondContact CB-OD1 3.14Å; N315-Y317 HydrophobicContact CB-CD2 4.26Å; N315-Y317 HydrophobicContact CB-CE1 4.26Å; N315-Y317 HydrophobicContact CB-CE2 3.64Å; N315-Y317 PolarHBondContact ND2-OH 3.34Å
316	Y	98.6	Very high	94.6	Very high	30 Å²	30	47.6 Å²	47.6	12%	0.118	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	137.4	160.1	-66.6	-90.6	0	0	0	108.4	Y56 I57 A59 V62 I298 F301 P303 F318	Y56-Y316 CarbonylContact C-O 3.47Å; Y56-Y316 WeakPolarHBondContact CA-O 3.28Å; Y56-Y316 VanDerWaalsContact CB-O 3.28Å; Y56-Y316 WeakPolarHBondContact CB-O 3.44Å; I57-Y316 PolarHBondContact N-O 3.44Å; I57-Y316 PolarHBondContact O-N 3.23Å; A59-Y316 HydrophobicContact CB-CD2 4.05Å; A59-Y316 HydrophobicContact CB-CE2 3.7Å; V62-Y316 HydrophobicContact CB-CE2 4.27Å; V62-Y316 HydrophobicContact CG2-CD2 4.09Å; V62-Y316 HydrophobicContact CG2-CE2 3.85Å; I298-Y316 HydrophobicContact CD1-CD1 3.82Å; I298-Y316 HydrophobicContact CD1-CD2 4.27Å; I298-Y316 HydrophobicContact CD1-CE1 4.02Å; I298-Y316 HydrophobicContact CD1-CE2 4.47Å; I298-Y316 HydrophobicContact CD1-CG 3.94Å; I298-Y316 HydrophobicContact CG1-CD1 4.26Å; I298-Y316 HydrophobicContact CG1-CE1 3.93Å; I298-Y316 HydrophobicContact CG1-CE2 4.29Å; F301-Y316 HydrophobicContact CB-CD1 3.81Å; F301-Y316 HydrophobicContact CB-CE1 4.25Å; F301-Y316 WeakPolarHBondContact O-CE1 3.35Å; P303-Y316 HydrophobicContact CB-CD1 4.04Å; P303-Y316 HydrophobicContact CB-CD2 4.12Å; P303-Y316 HydrophobicContact CB-CE1 3.85Å; P303-Y316 HydrophobicContact CB-CE2 3.92Å; P303-Y316 HydrophobicContact CB-CG 4.18Å; P303-Y316 VanDerWaalsContact CD-CE1 3.42Å; P303-Y316 HydrophobicContact CG-CE1 3.94Å; P303-Y316 HydrophobicContact CG-CE2 4.35Å; Y316-F318 VanDerWaalsContact CB-CZ 3.46Å; Y316-F318 HydrophobicContact CG-CZ 4.41Å
317	Y	98.1	Very high	94.5	Very high	22 Å²	22	48.6 Å²	48.6	9%	0.086	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.3	-176.7	-74.5	-71.4	0	0	0	110.8	N44 D48 A51 R52 S55 V304 R306 N315	N44-Y317 WeakPolarHBondContact OD1-CD1 3.36Å; N44-Y317 WeakPolarHBondContact OD1-CE1 3.5Å; D48-Y317 VanDerWaalsContact CG-OH 3.24Å; D48-Y317 PolarHBondContact OD1-OH 2.51Å; D48-Y317 VanDerWaalsContact OD1-OH 3.13Å; D48-Y317 WeakPolarHBondContact OD2-CE1 3.48Å; D48-Y317 PolarHBondContact OD2-OH 2.94Å; A51-Y317 HydrophobicContact CB-CE1 4.34Å; R52-Y317 HydrophobicContact CB-CG 4.15Å; R52-Y317 HydrophobicContact CG-CD2 4.45Å; R52-Y317 WeakPolarHBondContact O-CB 3.42Å; S55-Y317 CarbonylContact O-C 3.58Å; S55-Y317 WeakPolarHBondContact O-CA 3.49Å; V304-Y317 HydrophobicContact CB-CD2 3.96Å; V304-Y317 HydrophobicContact CB-CE2 3.82Å; V304-Y317 HydrophobicContact CG1-CE2 4.33Å; V304-Y317 HydrophobicContact CG2-CD2 3.79Å; V304-Y317 HydrophobicContact CG2-CE2 4.15Å; R306-Y317 VanDerWaalsContact CD-OH 3.28Å; R306-Y317 WeakPolarHBondContact CD-OH 2.85Å; R306-Y317 PolarHBondContact NH1-OH 3.3Å; N315-Y317 HydrophobicContact CB-CD2 4.26Å; N315-Y317 HydrophobicContact CB-CE1 4.26Å; N315-Y317 HydrophobicContact CB-CE2 3.64Å; N315-Y317 PolarHBondContact ND2-OH 3.34Å
318	F	97	Very high	94.7	Very high	6 Å²	6	51.1 Å²	51.1	3%	0.026	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	141.2	-173.5	-43.6	-88.2	0	0	0	111.4	A41 S54 S55 I57 P74 R76 I298 F301 Y316	A41-F318 HydrophobicContact CB-CD2 4.23Å; S54-F318 PolarHBondContact N-O 3.02Å; S55-F318 PolarHBondContact N-O 3.05Å; S55-F318 PolarHBondContact O-N 2.91Å; S55-F318 PolarHBondContact OG-O 3.18Å; I57-F318 HydrophobicContact CB-CE2 3.96Å; I57-F318 HydrophobicContact CD1-CE2 3.69Å; I57-F318 HydrophobicContact CD1-CZ 3.95Å; I57-F318 HydrophobicContact CG1-CE2 3.73Å; I57-F318 HydrophobicContact CG1-CZ 4.42Å; P74-F318 HydrophobicContact CB-CD1 4.37Å; P74-F318 HydrophobicContact CB-CE1 3.53Å; P74-F318 HydrophobicContact CB-CE2 4.23Å; P74-F318 HydrophobicContact CB-CZ 3.44Å; P74-F318 VanDerWaalsContact CB-CZ 3.44Å; P74-F318 HydrophobicContact CG-CE1 3.72Å; P74-F318 HydrophobicContact CG-CZ 4.09Å; R76-F318 HydrophobicContact CG-CB 3.89Å; R76-F318 HydrophobicContact CG-CD1 4.47Å; R76-F318 HydrophobicContact CG-CG 4.22Å; I298-F318 HydrophobicContact CD1-CE1 4.46Å; I298-F318 HydrophobicContact CD1-CZ 4.08Å; F301-F318 HydrophobicContact CB-CE1 4.35Å; F301-F318 AromaticContact CD1-CD1 3.69Å; F301-F318 HydrophobicContact CD1-CD1 3.69Å; F301-F318 AromaticContact CD1-CE1 3.49Å; F301-F318 HydrophobicContact CD1-CE1 3.49Å; F301-F318 VanDerWaalsContact CD1-CE1 3.49Å; F301-F318 HydrophobicContact CD2-CE1 4.23Å; F301-F318 AromaticContact CE1-CD1 3.64Å; F301-F318 HydrophobicContact CE1-CD1 3.64Å; F301-F318 AromaticContact CE1-CE1 3.74Å; F301-F318 HydrophobicContact CE1-CE1 3.74Å; F301-F318 HydrophobicContact CE2-CE1 4.45Å; F301-F318 HydrophobicContact CG-CD1 4.42Å; F301-F318 AromaticContact CG-CE1 3.76Å; F301-F318 HydrophobicContact CG-CE1 3.76Å; F301-F318 HydrophobicContact CZ-CD1 4.32Å; F301-F318 HydrophobicContact CZ-CE1 4.22Å; Y316-F318 VanDerWaalsContact CB-CZ 3.46Å; Y316-F318 HydrophobicContact CG-CZ 4.41Å
319	D	87.2	Confident	95	Very high	125 Å²	125	45.6 Å²	45.6	67%	0.668	24%	0.235	S	C	*	.			trans	-68.6	0	169.6	-65	-52.7	0	0	0	113.7	G53 S54 R76	G53-D319 WeakPolarHBondContact CA-OD1 3.28Å; S54-D319 WeakPolarHBondContact CB-OXT 3.07Å; S54-D319 VanDerWaalsContact OG-C 3.24Å; S54-D319 PolarHBondContact OG-OXT 3.1Å; R76-D319 PolarHBondContact NE-O 2.91Å; R76-D319 PolarHBondContact NH2-O 3.44Å

Retrieved 319 of 319 residues in 433.2 ms (Link to these results)

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