A0A060Y1S2_ONCMY Loading...

Hyaluronidase

AlphaFold DB , UniProt , Accession A0A060Y1S2, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene hyal3, Length 443 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	34.3	Very low	31	Very low	234 Å²	234	155.2 Å²	155.2	100%	1.153	82%	0.82	S	S	*	*				0	110.2	0	-112.6	164.9	68.4	0	0	107.7
2	L	29.2	Very low	30.9	Very low	147 Å²	147	155.5 Å²	155.5	77%	0.77	82%	0.821	S	S	*	*			trans	44.7	105.5	153.5	-60	159.1	0	0	0	118.1
3	L	29.1	Very low	30.7	Very low	132 Å²	132	156.5 Å²	156.5	69%	0.691	83%	0.826	S	S	*	*				81.1	110.1	98.9	-78.1	172	0	0	0	114.4
4	H	30.9	Very low	30.6	Very low	170 Å²	170	152.2 Å²	152.2	79%	0.787	82%	0.815	S	S	*	*				-180	134.4	99.7	-96.9	-60.1	0	0	0	112.7
5	S	30.5	Very low	30.6	Very low	106 Å²	106	151.2 Å²	151.2	74%	0.741	82%	0.816	S	S	*	*			trans	-84.2	143	173	-47.9	0	0	0	0	111.3
6	F	31.8	Very low	30.7	Very low	199 Å²	199	150.2 Å²	150.2	87%	0.873	81%	0.809	S	S	*	*			trans	-139.5	132.8	150.4	-87	-79.4	0	0	0	108.7
7	P	32.5	Very low	30.6	Very low	112 Å²	112	148.2 Å²	148.2	73%	0.727	81%	0.806	S	S	*	*			trans	-85.5	131.6	178.6	33.3	-29.3	0	0	0	110.2
8	L	30.3	Very low	30.5	Very low	172 Å²	172	147.6 Å²	147.6	90%	0.901	81%	0.807	S	S	*	*			trans	-89.3	108	168	-136.9	88.2	0	0	0	108.2	I10	L8-I10 PolarHBondContact O-N 2.75Å
9	T	31.4	Very low	30.4	Very low	126 Å²	126	145.9 Å²	145.9	77%	0.773	80%	0.802	S	S	*	*			trans	-70.5	115.7	176.1	-35.2	0	0	0	0	109.5	L11	T9-L11 PolarHBondContact O-N 3.18Å
10	I	32.4	Very low	30.3	Very low	151 Å²	151	143.7 Å²	143.7	77%	0.774	79%	0.794	S	S	*	*			trans	-75.9	109.5	172.1	-66.1	168.7	0	0	0	108	L8 L12	L8-I10 PolarHBondContact O-N 2.75Å; I10-L12 PolarHBondContact O-N 3.5Å
11	L	29.1	Very low	30.1	Very low	158 Å²	158	145.9 Å²	145.9	83%	0.827	80%	0.799	S	S	*	*			trans	-83.5	104.4	169.9	-104.6	141.6	0	0	0	109.1	T9 L13	T9-L11 PolarHBondContact O-N 3.18Å; L11-L13 PolarHBondContact O-N 3.28Å
12	L	29.8	Very low	30	Very low	159 Å²	159	145.5 Å²	145.5	83%	0.832	79%	0.785	S	S	*	*			trans	-66	108.7	166	-82.7	148.1	0	0	0	109.2	I10 S14	I10-L12 PolarHBondContact O-N 3.5Å; L12-S14 PolarHBondContact O-N 3.42Å; L12-S14 VanDerWaalsContact O-N 3.17Å
13	L	28.1	Very low	29.9	Very low	169 Å²	169	141.4 Å²	141.4	89%	0.885	78%	0.778	S	S	*	*			trans	-71.5	101	168.1	-84.6	147.1	0	0	0	109	L11 T15	L11-L13 PolarHBondContact O-N 3.28Å; L13-T15 PolarHBondContact O-N 3.12Å
14	S	29	Very low	30.2	Very low	96 Å²	96	140 Å²	140	67%	0.671	79%	0.785	S	S	*	*			trans	-72.3	112.5	165.7	68.8	0	0	0	0	109.1	L12 I16	L12-S14 PolarHBondContact O-N 3.42Å; L12-S14 VanDerWaalsContact O-N 3.17Å; S14-I16 PolarHBondContact O-N 3.16Å; S14-I16 VanDerWaalsContact O-N 3.15Å
15	T	31.2	Very low	30.5	Very low	137 Å²	137	139.5 Å²	139.5	84%	0.84	79%	0.794	S	S	*	*			trans	-74.8	98.9	169	42.3	0	0	0	0	109.2	L13	L13-T15 PolarHBondContact O-N 3.12Å
16	I	32	Very low	30.4	Very low	135 Å²	135	136.7 Å²	136.7	69%	0.692	78%	0.782	S	S	*	*			trans	-74.3	126.1	168.6	-59.8	173.7	0	0	0	107.5	S14 V18	S14-I16 PolarHBondContact O-N 3.16Å; S14-I16 VanDerWaalsContact O-N 3.15Å; I16-V18 PolarHBondContact O-N 3.46Å
17	P	28.6	Very low	30.3	Very low	117 Å²	117	133.3 Å²	133.3	76%	0.76	77%	0.773	S	S	*	*			trans	-71.2	115.5	174.2	20.5	-16.5	0	0	0	109.2	T19	P17-T19 PolarHBondContact O-N 3.42Å
18	V	28.4	Very low	30.2	Very low	136 Å²	136	137.8 Å²	137.8	82%	0.824	78%	0.784	S	S	*	*			trans	-71.7	106.1	173.1	177.6	0	0	0	0	108.4	I16	I16-V18 PolarHBondContact O-N 3.46Å
19	T	29.4	Very low	30.4	Very low	117 Å²	117	133.3 Å²	133.3	72%	0.718	77%	0.767	S	S	*	*			trans	-70.6	128.4	163.4	46	0	0	0	0	109.2	P17 Q21	P17-T19 PolarHBondContact O-N 3.42Å; T19-Q21 PolarHBondContact O-N 3.37Å; T19-Q21 VanDerWaalsContact O-N 3.13Å
20	P	27.7	Very low	30.5	Very low	100 Å²	100	130.6 Å²	130.6	65%	0.649	76%	0.764	S	S	*	*			trans	-72.6	111.2	179	28.4	-30.7	0	0	0	109.5	W22	P20-W22 PolarHBondContact O-N 3.42Å
21	Q	25.6	Very low	31.2	Very low	190 Å²	190	133.7 Å²	133.7	89%	0.888	77%	0.766	S	S	*	*			trans	-76.4	102.3	173.5	-162.6	159.8	3.1	0	0	108.2	T19 G23	T19-Q21 PolarHBondContact O-N 3.37Å; T19-Q21 VanDerWaalsContact O-N 3.13Å; Q21-G23 VanDerWaalsContact C-N 3.3Å; Q21-G23 PolarHBondContact O-N 3Å
22	W	32.2	Very low	32.9	Very low	227 Å²	227	131.7 Å²	131.7	86%	0.86	77%	0.765	S	S	*	*			trans	-75.9	89.3	174.9	-74.2	32.2	0	0	0	108.1	P20	P20-W22 PolarHBondContact O-N 3.42Å
23	G	27.8	Very low	35.3	Very low	60 Å²	60	126.9 Å²	126.9	62%	0.619	74%	0.742	S	S	*	*			trans	-62.4	150	163.4	0	0	0	0	0	110.2	Q21 V25	Q21-G23 VanDerWaalsContact C-N 3.3Å; Q21-G23 PolarHBondContact O-N 3Å; G23-V25 PolarHBondContact O-N 2.97Å
24	A	35.4	Very low	38.1	Very low	102 Å²	102	119.8 Å²	119.8	84%	0.843	71%	0.709	S	S	*	*			trans	-42.4	138.8	175.7	0	0	0	0	0	111.6	G26	A24-G26 PolarHBondContact O-N 3.14Å
25	V	36.7	Very low	40.9	Very low	161 Å²	161	115.7 Å²	115.7	98%	0.976	68%	0.68	S	S	*	*			trans	-64.9	86.8	168.2	-179.9	0	0	0	0	107.2	G23	G23-V25 PolarHBondContact O-N 2.97Å
26	G	28.1	Very low	43.7	Very low	47 Å²	47	109.5 Å²	109.5	49%	0.485	64%	0.643	S	S	.	*			trans	-100.7	134.6	168.6	0	0	0	0	0	108.5	A24	A24-G26 PolarHBondContact O-N 3.14Å
27	D	31.3	Very low	46.4	Very low	127 Å²	127	104.6 Å²	104.6	68%	0.679	63%	0.626	S	S	*	*			trans	-51.4	154.2	155.1	-174.8	27	0	0	0	109.5	S29 G30	D27-S29 PolarHBondContact O-N 3.3Å; D27-S29 PolarHBondContact OD2-OG 3.18Å; D27-G30 PolarHBondContact O-N 3.23Å
28	E	30.1	Very low	49.5	Very low	206 Å²	206	101 Å²	101	96%	0.963	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.7	3.1	-175.3	-74.7	-173.8	155.6	0	0	114.2
29	S	33.1	Very low	52.5	Low	78 Å²	78	96.2 Å²	96.2	55%	0.545	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.2	-4.9	172.8	65.6	0	0	0	0	115.5	D27 R31	D27-S29 PolarHBondContact O-N 3.3Å; D27-S29 PolarHBondContact OD2-OG 3.18Å; S29-R31 PolarHBondContact O-N 2.93Å
30	G	34.4	Very low	55.5	Low	70 Å²	70	92.7 Å²	92.7	72%	0.722	55%	0.552	S	S	*	*			trans	63.6	5.9	174.7	0	0	0	0	0	116	D27	D27-G30 PolarHBondContact O-N 3.23Å
31	R	47.5	Very low	58.5	Low	215 Å²	215	96.2 Å²	96.2	81%	0.811	56%	0.56	S	S	*	*			trans	-87.3	113.4	173.7	-89.6	-178.7	172.4	173.5	-1.3	110.2	S29 V33	S29-R31 PolarHBondContact O-N 2.93Å; R31-V33 PolarHBondContact O-N 3.36Å
32	S	63.9	Low	61.5	Low	116 Å²	116	89.7 Å²	89.7	81%	0.811	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-57.8	125.4	165.5	-177.8	0	0	0	0	109.3	A34	S32-A34 PolarHBondContact O-N 2.95Å
33	V	80.1	Confident	64.4	Low	58 Å²	58	82.4 Å²	82.4	35%	0.352	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-62.8	124.7	175.3	180	0	0	0	0	108.2	R31 P291 A296	R31-V33 PolarHBondContact O-N 3.36Å; V33-P291 HydrophobicContact CG1-CB 4.44Å; V33-A296 HydrophobicContact CG1-CB 3.86Å; V33-A296 VanDerWaalsContact CG1-N 3.34Å
34	A	86.8	Confident	67.6	Low	21 Å²	21	79.9 Å²	79.9	17%	0.174	49%	0.488	C	S	.	.	B	Isolated β-bridge	trans	-58.9	143.4	178.6	0	0	0	0	0	110.5	S32 H295 A296	S32-A34 PolarHBondContact O-N 2.95Å; A34-H295 HydrophobicContact CB-CB 4.22Å; A34-H295 CarbonylContact O-C 3.51Å; A34-H295 WeakPolarHBondContact O-CA 3.41Å; A34-H295 VanDerWaalsContact O-CB 3.28Å; A34-H295 WeakPolarHBondContact O-CB 3.43Å; A34-A296 PolarHBondContact O-N 2.96Å
35	A	88.9	Confident	70.6	Confident	9 Å²	9	75.3 Å²	75.3	7%	0.074	45%	0.449	C	S	.	.	B	Isolated β-bridge	trans	-70.4	147.4	171.6	0	0	0	0	0	110.4	R384 Q423 C424 Y425 Q426	A35-R384 HydrophobicContact CB-CG 4.45Å; A35-Q423 HydrophobicContact CB-CB 4.07Å; A35-C424 PolarHBondContact N-O 3.01Å; A35-Y425 HydrophobicContact CB-CD1 4.35Å; A35-Y425 WeakPolarHBondContact O-CA 3.41Å; A35-Q426 PolarHBondContact O-N 3.32Å
36	A	88.8	Confident	73.5	Confident	7 Å²	7	67.6 Å²	67.6	6%	0.058	40%	0.403	C	S	.	.	P	Polyproline II helix	trans	-53.1	145.9	165.6	0	0	0	0	0	110.2	A296 P298 R384 Y425	A36-A296 WeakPolarHBondContact CB-O 3.23Å; A36-P298 HydrophobicContact CB-CB 3.73Å; A36-P298 HydrophobicContact CB-CG 4.02Å; A36-R384 PolarHBondContact O-NH2 3.14Å; A36-Y425 WeakPolarHBondContact O-CD1 3.43Å
37	G	89.9	Confident	76.9	Confident	33 Å²	33	65.4 Å²	65.4	34%	0.34	38%	0.38	S	S	.	.	P	Polyproline II helix	trans	-57.8	166.6	170.8	0	0	0	0	0	112.5
38	P	92.4	Very high	80.1	Confident	40 Å²	40	59.4 Å²	59.4	26%	0.26	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-64.7	137.9	177	29.4	-35.6	0	0	0	110.8	V40 R43 Y425	P38-V40 VanDerWaalsContact C-N 3.29Å; P38-V40 WeakPolarHBondContact CB-O 3.48Å; P38-V40 PolarHBondContact O-N 2.9Å; P38-R43 WeakPolarHBondContact CB-O 3.47Å; P38-Y425 HydrophobicContact CG-CE2 4.49Å
39	V	92.3	Very high	83.3	Confident	37 Å²	37	49.9 Å²	49.9	22%	0.224	30%	0.303	C	S	.	.	S	Bend	trans	-60.6	-42.1	-179.2	171.7	0	0	0	0	110.9	T46 L137 L210 L300 A332	V39-T46 HydrophobicContact CG1-CG2 4.34Å; V39-L137 HydrophobicContact CG1-CD1 3.95Å; V39-L210 HydrophobicContact CB-CD1 4.41Å; V39-L210 HydrophobicContact CG1-CD1 3.86Å; V39-L210 HydrophobicContact CG2-CD1 3.87Å; V39-L300 HydrophobicContact CG2-CD1 4.18Å; V39-L300 HydrophobicContact CG2-CD2 4.03Å; V39-A332 HydrophobicContact CG2-CB 4.07Å
40	V	92.5	Very high	86.4	Confident	43 Å²	43	46.2 Å²	46.2	26%	0.261	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-109.9	127	167.4	-179.9	0	0	0	0	107.9	P38 G42 R43 T46 V72	P38-V40 VanDerWaalsContact C-N 3.29Å; P38-V40 WeakPolarHBondContact CB-O 3.48Å; P38-V40 PolarHBondContact O-N 2.9Å; V40-G42 PolarHBondContact O-N 2.86Å; V40-R43 HydrophobicContact CB-CB 4.25Å; V40-R43 HydrophobicContact CB-CG 4.2Å; V40-R43 HydrophobicContact CG1-CG 4.07Å; V40-R43 WeakPolarHBondContact O-CB 3.47Å; V40-R43 PolarHBondContact O-N 2.87Å; V40-T46 HydrophobicContact CG2-CG2 3.88Å; V40-V72 HydrophobicContact CG2-CG2 3.86Å
41	Q	90.2	Very high	89.4	Confident	174 Å²	174	43 Å²	43	81%	0.813	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	133.2	-177.3	-174.5	174.6	-5	0	0	111.5	R43	Q41-R43 VanDerWaalsContact C-N 3.25Å; Q41-R43 PolarHBondContact O-N 3.06Å
42	G	89.4	Confident	91.6	Very high	52 Å²	52	34.3 Å²	34.3	54%	0.536	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	-0.1	-178.2	0	0	0	0	0	115.1	V40 Q372	V40-G42 PolarHBondContact O-N 2.86Å; G42-Q372 PolarHBondContact O-OE1 3.46Å
43	R	93.6	Very high	93.1	Very high	75 Å²	75	28.8 Å²	28.8	28%	0.283	18%	0.176	S	C	.	.	B	Isolated β-bridge	trans	-115.8	106	-179.7	-53.6	-172.5	-170.2	-171.3	-14.4	111.3	P38 V40 Q41 F45 D70	P38-R43 WeakPolarHBondContact CB-O 3.47Å; V40-R43 HydrophobicContact CB-CB 4.25Å; V40-R43 HydrophobicContact CB-CG 4.2Å; V40-R43 HydrophobicContact CG1-CG 4.07Å; V40-R43 WeakPolarHBondContact O-CB 3.47Å; V40-R43 PolarHBondContact O-N 2.87Å; Q41-R43 VanDerWaalsContact C-N 3.25Å; Q41-R43 PolarHBondContact O-N 3.06Å; R43-F45 PolarHBondContact O-N 3.22Å; R43-D70 WeakPolarHBondContact CD-OD2 3.4Å; R43-D70 IonicContact CZ-OD1 3.91Å; R43-D70 IonicContact CZ-OD2 2.8Å; R43-D70 IonicContact NE-OD1 3.5Å; R43-D70 IonicContact NE-OD2 3.77Å; R43-D70 PolarHBondContact NE-OD2 3.4Å; R43-D70 IonicContact NH1-OD1 2.68Å; R43-D70 PolarHBondContact NH1-OD1 2.87Å; R43-D70 IonicContact NH1-OD2 3.75Å; R43-D70 PolarHBondContact NH1-OD2 2.98Å; R43-D70 IonicContact NH2-OD1 3.32Å; R43-D70 PolarHBondContact NH2-OD1 3.26Å; R43-D70 IonicContact NH2-OD2 3.54Å
44	P	95.3	Very high	93.9	Very high	7 Å²	7	26.8 Å²	26.8	5%	0.045	17%	0.166	C	C	.	.	S	Bend	trans	-65.8	-24.4	-177.7	24.3	-30.9	0	0	0	113	V371 R384 Y425	P44-V371 HydrophobicContact CB-CG1 3.93Å; P44-V371 HydrophobicContact CG-CG1 3.69Å; P44-R384 PolarHBondContact O-NH1 3.22Å; P44-Y425 VanDerWaalsContact CA-OH 3.32Å; P44-Y425 WeakPolarHBondContact CA-OH 3.49Å; P44-Y425 WeakPolarHBondContact CB-OH 3.24Å
45	F	97.7	Very high	94.3	Very high	5 Å²	5	26.9 Å²	26.9	2%	0.022	17%	0.165	C	C	.	.	S	Bend	trans	-138.6	120	-179.9	-169.5	-121.1	0	0	0	111.2	R43 M47 A327 M331 V334 L367 K368 V371	R43-F45 PolarHBondContact O-N 3.22Å; F45-M47 HydrophobicContact CD1-CE 3.97Å; F45-M47 HydrophobicContact CE1-CE 3.25Å; F45-M47 HydrophobicContact CE1-SD 4.26Å; F45-M47 HydrophobicContact CZ-CE 4.02Å; F45-A327 HydrophobicContact CD1-CB 4.13Å; F45-A327 HydrophobicContact CE1-CB 3.72Å; F45-A327 HydrophobicContact CE2-CB 4.2Å; F45-A327 HydrophobicContact CG-CB 4.5Å; F45-A327 HydrophobicContact CZ-CB 3.77Å; F45-M331 WeakPolarHBondContact CD2-O 3.47Å; F45-M331 HydrophobicContact CE2-CB 4.13Å; F45-V334 HydrophobicContact CE1-CG2 4.45Å; F45-V334 HydrophobicContact CE2-CG2 4.15Å; F45-V334 HydrophobicContact CZ-CG2 3.59Å; F45-L367 HydrophobicContact CE1-CD2 3.89Å; F45-L367 HydrophobicContact CE1-CG 4.5Å; F45-K368 HydrophobicContact CD1-CG 4.49Å; F45-K368 WeakPolarHBondContact O-CE 3.34Å; F45-V371 HydrophobicContact CB-CB 4.25Å; F45-V371 HydrophobicContact CB-CG1 3.63Å; F45-V371 HydrophobicContact CB-CG2 4.25Å; F45-V371 HydrophobicContact CD1-CG2 4.35Å; F45-V371 HydrophobicContact CG-CG2 4.49Å
46	T	97.8	Very high	94.7	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.8	-173.6	-60	0	0	0	0	111.5	V39 V40 V48 V72 A332 G333 V334	V39-T46 HydrophobicContact CG1-CG2 4.34Å; V40-T46 HydrophobicContact CG2-CG2 3.88Å; T46-V48 HydrophobicContact CG2-CG2 3.77Å; T46-V72 HydrophobicContact CG2-CB 4.5Å; T46-V72 HydrophobicContact CG2-CG2 3.72Å; T46-A332 PolarHBondContact N-O 3.02Å; T46-A332 VanDerWaalsContact N-O 3.12Å; T46-G333 CarbonylContact O-C 3.27Å; T46-G333 WeakPolarHBondContact O-CA 3.37Å; T46-V334 PolarHBondContact O-N 2.82Å
47	M	98.4	Very high	95.1	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.8	167.2	-66.6	-59.1	-177.2	0	0	108.5	F45 I71 V72 L323 V334 I364 L367 K368	F45-M47 HydrophobicContact CD1-CE 3.97Å; F45-M47 HydrophobicContact CE1-CE 3.25Å; F45-M47 HydrophobicContact CE1-SD 4.26Å; F45-M47 HydrophobicContact CZ-CE 4.02Å; M47-I71 HydrophobicContact CB-CG1 4.34Å; M47-I71 HydrophobicContact CB-CG2 4.45Å; M47-V72 WeakPolarHBondContact O-CB 3.42Å; M47-V72 PolarHBondContact O-N 3.28Å; M47-L323 HydrophobicContact CE-CB 4.09Å; M47-L323 HydrophobicContact CE-CD1 4.04Å; M47-L323 HydrophobicContact CE-CD2 4.35Å; M47-L323 HydrophobicContact CE-CG 4.39Å; M47-V334 HydrophobicContact CE-CG2 4.48Å; M47-V334 HydrophobicContact SD-CB 3.81Å; M47-V334 HydrophobicContact SD-CG2 4.18Å; M47-I364 HydrophobicContact CB-CG2 4.37Å; M47-I364 HydrophobicContact CE-CG1 4.26Å; M47-I364 HydrophobicContact CG-CD1 4.22Å; M47-I364 HydrophobicContact CG-CG1 4.25Å; M47-I364 HydrophobicContact CG-CG2 3.7Å; M47-L367 HydrophobicContact CE-CD2 4.02Å; M47-K368 HydrophobicContact CG-CD 4.16Å
48	V	98.6	Very high	95.4	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.2	-179.8	-174.7	0	0	0	0	109.6	T46 V72 M84 L137 V334 L336	T46-V48 HydrophobicContact CG2-CG2 3.77Å; V48-V72 WeakPolarHBondContact CA-O 3.38Å; V48-V72 HydrophobicContact CG2-CB 4.43Å; V48-M84 HydrophobicContact CG1-CB 3.79Å; V48-M84 HydrophobicContact CG1-CG 4.06Å; V48-M84 HydrophobicContact CG1-SD 4.38Å; V48-L137 HydrophobicContact CB-CD2 4.37Å; V48-L137 HydrophobicContact CG1-CD2 4.31Å; V48-L137 HydrophobicContact CG2-CD1 4.2Å; V48-L137 HydrophobicContact CG2-CD2 4.07Å; V48-V334 PolarHBondContact N-O 2.86Å; V48-L336 PolarHBondContact O-N 2.89Å
49	W	98.5	Very high	95.6	Very high	7 Å²	7	39.5 Å²	39.5	3%	0.027	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	118	175.7	-167	-107.8	0	0	0	111	M51 T53 L66 I71 V72 E73 V305 L336 L352 I356 L360	W49-M51 HydrophobicContact CD2-CB 4.39Å; W49-M51 HydrophobicContact CD2-CG 4.21Å; W49-M51 HydrophobicContact CD2-SD 4.35Å; W49-M51 HydrophobicContact CE3-SD 4.24Å; W49-M51 HydrophobicContact CH2-CE 4.28Å; W49-M51 HydrophobicContact CH2-CG 4.26Å; W49-M51 HydrophobicContact CH2-SD 3.22Å; W49-M51 WeakPolarHBondContact CH2-SD 3.4Å; W49-M51 HydrophobicContact CZ2-CB 3.88Å; W49-M51 HydrophobicContact CZ2-CE 4.22Å; W49-M51 HydrophobicContact CZ2-CG 3.89Å; W49-M51 HydrophobicContact CZ2-SD 3.32Å; W49-M51 WeakPolarHBondContact CZ2-SD 3.4Å; W49-M51 HydrophobicContact CZ3-SD 3.7Å; W49-T53 HydrophobicContact CZ2-CG2 3.92Å; W49-T53 PolarHBondContact NE1-OG1 3.27Å; W49-L66 HydrophobicContact CB-CD1 3.85Å; W49-L66 VanDerWaalsContact CD1-CD1 3.41Å; W49-L66 HydrophobicContact CD2-CD1 3.58Å; W49-L66 HydrophobicContact CD2-CD2 4.13Å; W49-L66 HydrophobicContact CE3-CD1 4.3Å; W49-L66 HydrophobicContact CE3-CD2 4.1Å; W49-L66 HydrophobicContact CG-CD1 3.36Å; W49-L66 HydrophobicContact CH2-CD2 4.33Å; W49-L66 HydrophobicContact CZ2-CD2 4.36Å; W49-L66 HydrophobicContact CZ3-CD2 4.21Å; W49-I71 HydrophobicContact CB-CG2 3.83Å; W49-I71 HydrophobicContact CE3-CG2 4.4Å; W49-V72 PolarHBondContact N-O 2.98Å; W49-E73 HydrophobicContact CB-CB 4.33Å; W49-V305 HydrophobicContact CH2-CG1 4.4Å; W49-V305 HydrophobicContact CZ3-CG1 4.07Å; W49-L336 HydrophobicContact CE3-CB 4.07Å; W49-L336 HydrophobicContact CE3-CD1 4.01Å; W49-L336 HydrophobicContact CZ3-CB 4.4Å; W49-L336 HydrophobicContact CZ3-CD1 4.11Å; W49-L352 HydrophobicContact CH2-CD1 4.36Å; W49-L352 HydrophobicContact CZ2-CD2 4.36Å; W49-I356 HydrophobicContact CH2-CD1 3.96Å; W49-I356 HydrophobicContact CH2-CG1 4.4Å; W49-I356 HydrophobicContact CZ2-CD1 4.32Å; W49-L360 HydrophobicContact CZ3-CD2 4.08Å
50	N	98.1	Very high	95.9	Very high	1 Å²	1	41.5 Å²	41.5	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	54.4	174.4	-171.2	-141	0	0	0	110.4	F79 M84 Y302 V335 L336 W337	N50-F79 WeakPolarHBondContact ND2-CE2 3.25Å; N50-F79 WeakPolarHBondContact O-CE2 3.4Å; N50-M84 HydrophobicContact CB-CE 3.93Å; N50-M84 HydrophobicContact CB-CG 3.96Å; N50-M84 VanDerWaalsContact CG-CE 3.45Å; N50-M84 VanDerWaalsContact OD1-CE 3.3Å; N50-M84 WeakPolarHBondContact OD1-CE 3.5Å; N50-Y302 PolarHBondContact OD1-OH 3.44Å; N50-V335 HydrophobicContact CB-CG1 3.57Å; N50-L336 CarbonylContact C-O 3.5Å; N50-L336 WeakPolarHBondContact CA-O 3.37Å; N50-L336 PolarHBondContact N-O 2.94Å; N50-W337 WeakPolarHBondContact O-CA 3.31Å
51	M	96.1	Very high	96.1	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	23%	0.228	C	C	.	.	S	Bend	trans	-116.1	142.8	172.3	-54.7	-177.6	55.3	0	0	109.7	W49 T53 V305 F342 L352	W49-M51 HydrophobicContact CD2-CB 4.39Å; W49-M51 HydrophobicContact CD2-CG 4.21Å; W49-M51 HydrophobicContact CD2-SD 4.35Å; W49-M51 HydrophobicContact CE3-SD 4.24Å; W49-M51 HydrophobicContact CH2-CE 4.28Å; W49-M51 HydrophobicContact CH2-CG 4.26Å; W49-M51 HydrophobicContact CH2-SD 3.22Å; W49-M51 WeakPolarHBondContact CH2-SD 3.4Å; W49-M51 HydrophobicContact CZ2-CB 3.88Å; W49-M51 HydrophobicContact CZ2-CE 4.22Å; W49-M51 HydrophobicContact CZ2-CG 3.89Å; W49-M51 HydrophobicContact CZ2-SD 3.32Å; W49-M51 WeakPolarHBondContact CZ2-SD 3.4Å; W49-M51 HydrophobicContact CZ3-SD 3.7Å; M51-T53 HydrophobicContact CB-CG2 3.92Å; M51-T53 PolarHBondContact O-N 3.26Å; M51-V305 HydrophobicContact CE-CG2 3.79Å; M51-V305 HydrophobicContact SD-CG1 4.1Å; M51-V305 HydrophobicContact SD-CG2 3.87Å; M51-F342 HydrophobicContact CE-CB 3.79Å; M51-F342 HydrophobicContact CE-CD1 4.11Å; M51-F342 HydrophobicContact CE-CD2 3.48Å; M51-F342 VanDerWaalsContact CE-CD2 3.48Å; M51-F342 HydrophobicContact CE-CE2 4.09Å; M51-F342 HydrophobicContact CE-CG 3.51Å; M51-L352 HydrophobicContact CE-CD1 4.44Å
52	P	94.6	Very high	96.5	Very high	32 Å²	32	34.2 Å²	34.2	21%	0.208	19%	0.191	C	C	.	.			trans	-79.5	67.1	-179	34.3	-37.2	0	0	0	111	F79 G338 Q340 A343	P52-F79 HydrophobicContact CB-CB 4.45Å; P52-F79 HydrophobicContact CB-CD2 3.77Å; P52-F79 HydrophobicContact CB-CE2 4.33Å; P52-F79 HydrophobicContact CB-CG 4.21Å; P52-F79 HydrophobicContact CG-CD2 4.41Å; P52-G338 WeakPolarHBondContact CD-O 3.31Å; P52-Q340 HydrophobicContact CG-CB 4.23Å; P52-A343 WeakPolarHBondContact O-CB 3.38Å
53	T	95.9	Very high	96.8	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.006	19%	0.189	C	C	.	.			trans	-98.4	1.4	-173.1	50.5	0	0	0	0	115.2	W49 M51 S55 C56 L64 Q77 A343 L352	W49-T53 HydrophobicContact CZ2-CG2 3.92Å; W49-T53 PolarHBondContact NE1-OG1 3.27Å; M51-T53 HydrophobicContact CB-CG2 3.92Å; M51-T53 PolarHBondContact O-N 3.26Å; T53-S55 PolarHBondContact O-N 3.21Å; T53-S55 VanDerWaalsContact O-N 3.12Å; T53-C56 VanDerWaalsContact O-CB 3.31Å; T53-C56 WeakPolarHBondContact O-CB 3.45Å; T53-C56 PolarHBondContact O-N 2.98Å; T53-L64 HydrophobicContact CG2-CD1 3.81Å; T53-Q77 PolarHBondContact OG1-OE1 2.98Å; T53-A343 HydrophobicContact CG2-CB 4.27Å; T53-L352 HydrophobicContact CG2-CD2 3.68Å
54	A	95.6	Very high	97	Very high	16 Å²	16	33.3 Å²	33.3	13%	0.132	18%	0.176	C	C	.	.	H	α-helix	trans	-51.6	-36.4	176	0	0	0	0	0	112.8	C56 Q57 E58	A54-C56 PolarHBondContact O-N 2.94Å; A54-Q57 PolarHBondContact O-N 3Å; A54-Q57 VanDerWaalsContact O-N 3.16Å; A54-E58 WeakPolarHBondContact O-CB 3.46Å; A54-E58 WeakPolarHBondContact O-CG 3.37Å; A54-E58 PolarHBondContact O-N 3.44Å
55	S	95.1	Very high	97	Very high	22 Å²	22	36.3 Å²	36.3	15%	0.154	19%	0.192	C	C	.	.	H	α-helix	trans	-59.9	-26.8	177.4	57.1	0	0	0	0	113.9	T53 Q57 H59 A343	T53-S55 PolarHBondContact O-N 3.21Å; T53-S55 VanDerWaalsContact O-N 3.12Å; S55-Q57 PolarHBondContact O-N 3.05Å; S55-H59 WeakPolarHBondContact O-CB 3.48Å; S55-H59 PolarHBondContact O-N 3.34Å; S55-A343 VanDerWaalsContact OG-CB 3.3Å; S55-A343 WeakPolarHBondContact OG-CB 3.38Å; S55-A343 PolarHBondContact OG-O 2.93Å
56	C	97.8	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-45.9	176.3	-67.4	0	0	0	0	111.6	T53 A54 Y60 G61 I62 L64 C349	T53-C56 VanDerWaalsContact O-CB 3.31Å; T53-C56 WeakPolarHBondContact O-CB 3.45Å; T53-C56 PolarHBondContact O-N 2.98Å; A54-C56 PolarHBondContact O-N 2.94Å; C56-Y60 CarbonylContact O-C 3.51Å; C56-Y60 WeakPolarHBondContact O-CA 3.31Å; C56-Y60 WeakPolarHBondContact O-CB 3.41Å; C56-Y60 PolarHBondContact O-N 3.23Å; C56-G61 PolarHBondContact O-N 2.95Å; C56-G61 VanDerWaalsContact O-N 3.15Å; C56-I62 CarbonylContact C-O 3.56Å; C56-I62 VanDerWaalsContact C-O 3.23Å; C56-I62 HydrophobicContact CB-CB 4.4Å; C56-I62 PolarHBondContact O-N 3.49Å; C56-L64 HydrophobicContact CB-CD1 4.44Å; C56-L64 HydrophobicContact CB-CG 4.41Å; C56-C349 WeakPolarHBondContact CA-SG 3.41Å; C56-C349 HydrophobicContact CB-CB 3.69Å; C56-C349 WeakPolarHBondContact CB-SG 3.47Å; C56-C349 WeakPolarHBondContact SG-CB 3.31Å; C56-C349 CovalentContact SG-SG 2.04Å; C56-C349 PolarHBondContact SG-SG 3.3Å
57	Q	97	Very high	96.9	Very high	99 Å²	99	38.1 Å²	38.1	46%	0.463	21%	0.212	S	C	.	.	H	α-helix	trans	-76.6	-50.1	175.9	-178	61.4	38.5	0	0	111	A54 S55 H59 G61 I62 H63	A54-Q57 PolarHBondContact O-N 3Å; A54-Q57 VanDerWaalsContact O-N 3.16Å; S55-Q57 PolarHBondContact O-N 3.05Å; Q57-H59 PolarHBondContact O-N 2.97Å; Q57-G61 PolarHBondContact O-N 3.06Å; Q57-I62 PolarHBondContact N-O 3.4Å; Q57-H63 VanDerWaalsContact OE1-CA 3.31Å
58	E	96.3	Very high	96.8	Very high	119 Å²	119	41.1 Å²	41.1	56%	0.556	24%	0.236	S	C	*	.	H	α-helix	trans	-65.8	-38.5	-170	-69.8	174	172.8	0	0	113.1	A54	A54-E58 WeakPolarHBondContact O-CB 3.46Å; A54-E58 WeakPolarHBondContact O-CG 3.37Å; A54-E58 PolarHBondContact O-N 3.44Å
59	H	96.9	Very high	96.8	Very high	137 Å²	137	42.5 Å²	42.5	63%	0.634	24%	0.242	S	C	*	.	H	α-helix	trans	-106.9	-27	-175.1	-63.7	178.3	0	0	0	113.7	S55 Q57	S55-H59 WeakPolarHBondContact O-CB 3.48Å; S55-H59 PolarHBondContact O-N 3.34Å; Q57-H59 PolarHBondContact O-N 2.97Å
60	Y	98	Very high	96.6	Very high	78 Å²	78	44.7 Å²	44.7	31%	0.306	25%	0.254	S	S	.	.	H	α-helix	trans	-118.2	-5.1	-171.3	-51.6	-53.6	0	0	0	114.2	C56 I62 K344 S345 K346	C56-Y60 CarbonylContact O-C 3.51Å; C56-Y60 WeakPolarHBondContact O-CA 3.31Å; C56-Y60 WeakPolarHBondContact O-CB 3.41Å; C56-Y60 PolarHBondContact O-N 3.23Å; Y60-I62 PolarHBondContact O-N 2.59Å; Y60-K344 PolarHBondContact OH-O 3.15Å; Y60-S345 VanDerWaalsContact CE2-C 3.43Å; Y60-S345 WeakPolarHBondContact OH-CA 3.5Å; Y60-K346 HydrophobicContact CD1-CB 3.83Å; Y60-K346 HydrophobicContact CE1-CB 4.43Å; Y60-K346 HydrophobicContact CG-CB 3.95Å
61	G	97.6	Very high	96.6	Very high	56 Å²	56	44.9 Å²	44.9	58%	0.577	26%	0.256	S	S	*	.			trans	63.7	21.7	-177.9	0	0	0	0	0	113.6	C56 Q57	C56-G61 PolarHBondContact O-N 2.95Å; C56-G61 VanDerWaalsContact O-N 3.15Å; Q57-G61 PolarHBondContact O-N 3.06Å
62	I	98.1	Very high	96.7	Very high	8 Å²	8	45.8 Å²	45.8	4%	0.041	26%	0.261	C	S	.	.			trans	-98.1	109.2	179.6	-65	162.3	0	0	0	108.6	C56 Q57 Y60 L64 K346 C349 E350 R353	C56-I62 CarbonylContact C-O 3.56Å; C56-I62 VanDerWaalsContact C-O 3.23Å; C56-I62 HydrophobicContact CB-CB 4.4Å; C56-I62 PolarHBondContact O-N 3.49Å; Q57-I62 PolarHBondContact N-O 3.4Å; Y60-I62 PolarHBondContact O-N 2.59Å; I62-L64 HydrophobicContact CG2-CD2 4.15Å; I62-K346 HydrophobicContact CD1-CB 4.42Å; I62-K346 HydrophobicContact CD1-CG 3.63Å; I62-K346 WeakPolarHBondContact CD1-O 3.36Å; I62-C349 HydrophobicContact CB-CB 4.14Å; I62-C349 HydrophobicContact CD1-CB 3.49Å; I62-C349 VanDerWaalsContact CD1-CB 3.49Å; I62-C349 HydrophobicContact CG1-CB 4.44Å; I62-C349 HydrophobicContact CG2-CB 4.08Å; I62-E350 HydrophobicContact CD1-CG 3.66Å; I62-E350 HydrophobicContact CG1-CG 4.43Å; I62-R353 HydrophobicContact CG2-CB 4.16Å
63	H	96.7	Very high	96.9	Very high	106 Å²	106	46.6 Å²	46.6	49%	0.491	26%	0.262	S	S	.	.			trans	-80.4	129.1	174.6	-172.5	57.1	0	0	0	110.8	Q57	Q57-H63 VanDerWaalsContact OE1-CA 3.31Å
64	L	97.6	Very high	96.9	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	26%	0.263	C	S	.	.			trans	-102.6	103.9	169.4	-51.2	-177.7	0	0	0	107.6	T53 C56 I62 L66 Q77 L352 R353 I356	T53-L64 HydrophobicContact CG2-CD1 3.81Å; C56-L64 HydrophobicContact CB-CD1 4.44Å; C56-L64 HydrophobicContact CB-CG 4.41Å; I62-L64 HydrophobicContact CG2-CD2 4.15Å; L64-L66 VanDerWaalsContact C-N 3.3Å; L64-L66 HydrophobicContact CB-CG 4.5Å; L64-L66 PolarHBondContact O-N 3.4Å; L64-Q77 PolarHBondContact O-NE2 3.47Å; L64-L352 HydrophobicContact CD1-CD2 3.75Å; L64-L352 HydrophobicContact CD1-CG 4.32Å; L64-R353 HydrophobicContact CD2-CB 3.56Å; L64-R353 HydrophobicContact CD2-CG 4.22Å; L64-I356 HydrophobicContact CB-CD1 4.21Å; L64-I356 HydrophobicContact CD1-CD1 4.2Å; L64-I356 HydrophobicContact CD2-CD1 4.28Å; L64-I356 HydrophobicContact CG-CD1 4.47Å
65	D	95.1	Very high	96.9	Very high	71 Å²	71	52.7 Å²	52.7	38%	0.38	29%	0.288	S	S	.	.			trans	-80.6	76.1	-176.6	-170.5	-3.1	0	0	0	111.3	G67 A68 F69	D65-G67 VanDerWaalsContact C-N 3.33Å; D65-A68 HydrophobicContact CB-CB 4.42Å; D65-A68 WeakPolarHBondContact OD1-CB 3.43Å; D65-A68 PolarHBondContact OD1-N 2.78Å; D65-A68 WeakPolarHBondContact OD2-CB 3.23Å; D65-F69 WeakPolarHBondContact O-CD2 3.43Å
66	L	97.7	Very high	96.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	31%	0.306	C	S	.	.			trans	-71.1	-31.5	179.5	-62.6	-178.9	0	0	0	111.9	W49 L64 A68 F69 I71 E73 Q77 I356	W49-L66 HydrophobicContact CB-CD1 3.85Å; W49-L66 VanDerWaalsContact CD1-CD1 3.41Å; W49-L66 HydrophobicContact CD2-CD1 3.58Å; W49-L66 HydrophobicContact CD2-CD2 4.13Å; W49-L66 HydrophobicContact CE3-CD1 4.3Å; W49-L66 HydrophobicContact CE3-CD2 4.1Å; W49-L66 HydrophobicContact CG-CD1 3.36Å; W49-L66 HydrophobicContact CH2-CD2 4.33Å; W49-L66 HydrophobicContact CZ2-CD2 4.36Å; W49-L66 HydrophobicContact CZ3-CD2 4.21Å; L64-L66 VanDerWaalsContact C-N 3.3Å; L64-L66 HydrophobicContact CB-CG 4.5Å; L64-L66 PolarHBondContact O-N 3.4Å; L66-A68 VanDerWaalsContact C-N 3.34Å; L66-A68 PolarHBondContact O-N 3.29Å; L66-F69 PolarHBondContact O-N 3.44Å; L66-I71 HydrophobicContact CB-CB 4.12Å; L66-I71 HydrophobicContact CB-CG2 4.46Å; L66-I71 HydrophobicContact CD2-CD1 4.08Å; L66-I71 WeakPolarHBondContact O-CB 3.4Å; L66-I71 PolarHBondContact O-N 2.99Å; L66-I71 VanDerWaalsContact O-N 3.12Å; L66-E73 HydrophobicContact CD1-CB 4Å; L66-E73 WeakPolarHBondContact CD1-OE2 3.39Å; L66-Q77 HydrophobicContact CD1-CG 4.28Å; L66-I356 HydrophobicContact CD2-CD1 3.9Å; L66-I356 HydrophobicContact CD2-CG2 4.3Å
67	G	96.1	Very high	96.4	Very high	43 Å²	43	57.9 Å²	57.9	44%	0.443	31%	0.309	S	S	.	.	G	3₁₀ helix	trans	-61.6	-37.2	178.5	0	0	0	0	0	113.3	D65 F69 D70	D65-G67 VanDerWaalsContact C-N 3.33Å; G67-F69 PolarHBondContact O-N 3.35Å; G67-F69 VanDerWaalsContact O-N 3.12Å; G67-D70 PolarHBondContact O-N 3.37Å
68	A	96.3	Very high	96.2	Very high	62 Å²	62	59.8 Å²	59.8	51%	0.512	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-57.3	-25.9	175.8	0	0	0	0	0	114	D65 L66	D65-A68 HydrophobicContact CB-CB 4.42Å; D65-A68 WeakPolarHBondContact OD1-CB 3.43Å; D65-A68 PolarHBondContact OD1-N 2.78Å; D65-A68 WeakPolarHBondContact OD2-CB 3.23Å; L66-A68 VanDerWaalsContact C-N 3.34Å; L66-A68 PolarHBondContact O-N 3.29Å
69	F	96.8	Very high	96	Very high	30 Å²	30	56 Å²	56	13%	0.132	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-105.8	14.2	179.5	-52.6	-68.1	0	0	0	113	D65 L66 G67 I71 I356 G361 S365	D65-F69 WeakPolarHBondContact O-CD2 3.43Å; L66-F69 PolarHBondContact O-N 3.44Å; G67-F69 PolarHBondContact O-N 3.35Å; G67-F69 VanDerWaalsContact O-N 3.12Å; F69-I71 HydrophobicContact CB-CD1 4.09Å; F69-I71 HydrophobicContact CB-CG1 4.13Å; F69-I71 PolarHBondContact O-N 3.15Å; F69-I356 HydrophobicContact CD2-CG2 3.88Å; F69-I356 HydrophobicContact CE2-CG2 3.7Å; F69-G361 WeakPolarHBondContact CD1-O 3.45Å; F69-S365 WeakPolarHBondContact CD1-OG 3.44Å
70	D	96.1	Very high	95.8	Very high	53 Å²	53	52 Å²	52	28%	0.283	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	32.1	-179	-159.1	39.2	0	0	0	114	R43 G67 K368	R43-D70 WeakPolarHBondContact CD-OD2 3.4Å; R43-D70 IonicContact CZ-OD1 3.91Å; R43-D70 IonicContact CZ-OD2 2.8Å; R43-D70 IonicContact NE-OD1 3.5Å; R43-D70 IonicContact NE-OD2 3.77Å; R43-D70 PolarHBondContact NE-OD2 3.4Å; R43-D70 IonicContact NH1-OD1 2.68Å; R43-D70 PolarHBondContact NH1-OD1 2.87Å; R43-D70 IonicContact NH1-OD2 3.75Å; R43-D70 PolarHBondContact NH1-OD2 2.98Å; R43-D70 IonicContact NH2-OD1 3.32Å; R43-D70 PolarHBondContact NH2-OD1 3.26Å; R43-D70 IonicContact NH2-OD2 3.54Å; G67-D70 PolarHBondContact O-N 3.37Å; D70-K368 VanDerWaalsContact CG-NZ 3.27Å; D70-K368 PolarHBondContact O-NZ 3.07Å; D70-K368 WeakPolarHBondContact OD2-CE 3.24Å; D70-K368 IonicContact OD2-NZ 3.49Å; D70-K368 PolarHBondContact OD2-NZ 3.41Å
71	I	98.3	Very high	95.6	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.031	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	126.8	176.3	-58.7	170.1	0	0	0	108.2	M47 W49 L66 F69 E73 I364	M47-I71 HydrophobicContact CB-CG1 4.34Å; M47-I71 HydrophobicContact CB-CG2 4.45Å; W49-I71 HydrophobicContact CB-CG2 3.83Å; W49-I71 HydrophobicContact CE3-CG2 4.4Å; L66-I71 HydrophobicContact CB-CB 4.12Å; L66-I71 HydrophobicContact CB-CG2 4.46Å; L66-I71 HydrophobicContact CD2-CD1 4.08Å; L66-I71 WeakPolarHBondContact O-CB 3.4Å; L66-I71 PolarHBondContact O-N 2.99Å; L66-I71 VanDerWaalsContact O-N 3.12Å; F69-I71 HydrophobicContact CB-CD1 4.09Å; F69-I71 HydrophobicContact CB-CG1 4.13Å; F69-I71 PolarHBondContact O-N 3.15Å; I71-E73 PolarHBondContact O-N 3.39Å; I71-I364 HydrophobicContact CD1-CD1 3.73Å; I71-I364 HydrophobicContact CG1-CD1 4.06Å; I71-I364 HydrophobicContact CG1-CG2 4.19Å
72	V	97.9	Very high	95.6	Very high	20 Å²	20	48.7 Å²	48.7	12%	0.121	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	116.5	178.3	179.7	0	0	0	0	109.1	V40 T46 M47 V48 W49 N83	V40-V72 HydrophobicContact CG2-CG2 3.86Å; T46-V72 HydrophobicContact CG2-CB 4.5Å; T46-V72 HydrophobicContact CG2-CG2 3.72Å; M47-V72 WeakPolarHBondContact O-CB 3.42Å; M47-V72 PolarHBondContact O-N 3.28Å; V48-V72 WeakPolarHBondContact CA-O 3.38Å; V48-V72 HydrophobicContact CG2-CB 4.43Å; W49-V72 PolarHBondContact N-O 2.98Å; V72-N83 HydrophobicContact CG1-CB 3.73Å
73	E	97.1	Very high	95.5	Very high	50 Å²	50	51.7 Å²	51.7	23%	0.234	27%	0.267	C	S	.	.			trans	-120.9	155.7	177.4	64.8	-175.1	150.1	0	0	110.8	W49 L66 I71 Q77 N83	W49-E73 HydrophobicContact CB-CB 4.33Å; L66-E73 HydrophobicContact CD1-CB 4Å; L66-E73 WeakPolarHBondContact CD1-OE2 3.39Å; I71-E73 PolarHBondContact O-N 3.39Å; E73-Q77 HydrophobicContact CB-CG 4.46Å; E73-Q77 VanDerWaalsContact OE2-CD 3.28Å; E73-Q77 WeakPolarHBondContact OE2-CG 3.32Å; E73-Q77 PolarHBondContact OE2-NE2 2.86Å; E73-N83 PolarHBondContact O-ND2 2.91Å
74	N	97.5	Very high	95.6	Very high	6 Å²	6	46.7 Å²	46.7	3%	0.032	24%	0.244	C	C	.	.			trans	-70.7	157.4	167.6	-74.5	-42.1	0	0	0	110.6	Q76 Q77 R78 G81 Q82 N83 M84	N74-Q76 PolarHBondContact O-N 2.95Å; N74-Q77 WeakPolarHBondContact O-CA 3.24Å; N74-Q77 PolarHBondContact O-N 3.23Å; N74-R78 HydrophobicContact CB-CB 4.49Å; N74-R78 WeakPolarHBondContact CB-O 3.43Å; N74-R78 PolarHBondContact ND2-O 3.22Å; N74-G81 PolarHBondContact ND2-N 2.95Å; N74-G81 VanDerWaalsContact OD1-C 3.26Å; N74-G81 WeakPolarHBondContact OD1-CA 3.46Å; N74-Q82 PolarHBondContact OD1-N 3.12Å; N74-N83 PolarHBondContact OD1-N 2.87Å; N74-M84 PolarHBondContact ND2-O 3.3Å; N74-M84 PolarHBondContact OD1-N 3.36Å; N74-M84 VanDerWaalsContact OD1-N 3.07Å; N74-M84 PolarHBondContact OD1-O 2.95Å
75	H	94.8	Very high	95.6	Very high	139 Å²	139	46.6 Å²	46.6	64%	0.644	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-50.8	128.4	171.5	-179.1	-90.2	0	0	0	110.9	Q77 R78	H75-Q77 PolarHBondContact O-N 2.98Å; H75-R78 PolarHBondContact O-N 2.95Å
76	Q	91.5	Very high	95.8	Very high	114 Å²	114	43.2 Å²	43.2	53%	0.533	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	55.1	27.2	-175.3	-66.2	169.8	-39.1	0	0	114.1	N74 R78	N74-Q76 PolarHBondContact O-N 2.95Å; Q76-R78 PolarHBondContact O-N 3.35Å
77	Q	91.6	Very high	95.8	Very high	16 Å²	16	43.3 Å²	43.3	8%	0.075	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	54.1	27.3	-178.4	-66.1	179.3	22.9	0	0	114.2	T53 L64 L66 E73 N74 H75 F79	T53-Q77 PolarHBondContact OG1-OE1 2.98Å; L64-Q77 PolarHBondContact O-NE2 3.47Å; L66-Q77 HydrophobicContact CD1-CG 4.28Å; E73-Q77 HydrophobicContact CB-CG 4.46Å; E73-Q77 VanDerWaalsContact OE2-CD 3.28Å; E73-Q77 WeakPolarHBondContact OE2-CG 3.32Å; E73-Q77 PolarHBondContact OE2-NE2 2.86Å; N74-Q77 WeakPolarHBondContact O-CA 3.24Å; N74-Q77 PolarHBondContact O-N 3.23Å; H75-Q77 PolarHBondContact O-N 2.98Å; Q77-F79 PolarHBondContact O-N 3.46Å
78	R	92.1	Very high	95.9	Very high	140 Å²	140	44.1 Å²	44.1	53%	0.528	22%	0.216	S	C	.	.			trans	-57.8	138	173.8	-72.8	-175.2	-178.9	158.9	4	110.1	N74 H75 Q76 Q80	N74-R78 HydrophobicContact CB-CB 4.49Å; N74-R78 WeakPolarHBondContact CB-O 3.43Å; N74-R78 PolarHBondContact ND2-O 3.22Å; H75-R78 PolarHBondContact O-N 2.95Å; Q76-R78 PolarHBondContact O-N 3.35Å; R78-Q80 VanDerWaalsContact C-N 3.27Å; R78-Q80 PolarHBondContact O-N 3.18Å
79	F	91.8	Very high	95.8	Very high	39 Å²	39	43.6 Å²	43.6	17%	0.171	20%	0.203	C	C	.	.	S	Bend	trans	-65.1	-33.7	-176	-168.5	-113.5	0	0	0	112.9	N50 P52 Q77 I86 Y88	N50-F79 WeakPolarHBondContact ND2-CE2 3.25Å; N50-F79 WeakPolarHBondContact O-CE2 3.4Å; P52-F79 HydrophobicContact CB-CB 4.45Å; P52-F79 HydrophobicContact CB-CD2 3.77Å; P52-F79 HydrophobicContact CB-CE2 4.33Å; P52-F79 HydrophobicContact CB-CG 4.21Å; P52-F79 HydrophobicContact CG-CD2 4.41Å; Q77-F79 PolarHBondContact O-N 3.46Å; F79-I86 HydrophobicContact CD1-CG2 4.05Å; F79-I86 HydrophobicContact CE1-CG2 3.19Å; F79-I86 HydrophobicContact CE2-CG2 4.43Å; F79-I86 HydrophobicContact CZ-CG2 3.42Å; F79-I86 VanDerWaalsContact CZ-CG2 3.42Å; F79-Y88 HydrophobicContact CD1-CE2 4.49Å; F79-Y88 AromaticContact CE1-CE2 3.48Å; F79-Y88 HydrophobicContact CE1-CE2 3.48Å; F79-Y88 VanDerWaalsContact CE1-CE2 3.48Å; F79-Y88 AromaticContact CE1-CZ 3.83Å; F79-Y88 HydrophobicContact CZ-CE2 4.06Å; F79-Y88 AromaticContact CZ-CZ 3.93Å; F79-Y88 WeakPolarHBondContact CZ-OH 3.37Å
80	Q	93.2	Very high	95.6	Very high	53 Å²	53	47.1 Å²	47.1	25%	0.248	22%	0.223	C	C	.	.	S	Bend	trans	-115.7	133.7	170.5	-68.5	175.7	-35.9	0	0	110.2	R78 I86 L129	R78-Q80 VanDerWaalsContact C-N 3.27Å; R78-Q80 PolarHBondContact O-N 3.18Å; Q80-I86 PolarHBondContact NE2-O 3.45Å; Q80-L129 HydrophobicContact CB-CD1 4.1Å; Q80-L129 HydrophobicContact CB-CD2 4.14Å; Q80-L129 HydrophobicContact CG-CD2 4.38Å
81	G	94.6	Very high	95.6	Very high	11 Å²	11	47.6 Å²	47.6	11%	0.113	22%	0.224	C	C	.	.	S	Bend	trans	-172	-166.1	-177.7	0	0	0	0	0	113.6	N74 M84 S85	N74-G81 PolarHBondContact ND2-N 2.95Å; N74-G81 VanDerWaalsContact OD1-C 3.26Å; N74-G81 WeakPolarHBondContact OD1-CA 3.46Å; G81-M84 PolarHBondContact N-O 2.95Å; G81-M84 CarbonylContact O-C 3.43Å; G81-S85 PolarHBondContact N-OG 3.16Å; G81-S85 PolarHBondContact O-OG 3.18Å
82	Q	96.4	Very high	95.6	Very high	53 Å²	53	47.3 Å²	47.3	25%	0.248	22%	0.222	C	C	.	.	S	Bend	trans	-83.7	-13	-170.1	-56.6	-54.7	-59.1	0	0	114.3	N74 L129 R131 F134	N74-Q82 PolarHBondContact OD1-N 3.12Å; Q82-L129 PolarHBondContact NE2-O 2.94Å; Q82-R131 HydrophobicContact CG-CG 4.48Å; Q82-F134 WeakPolarHBondContact O-CD2 3.3Å; Q82-F134 WeakPolarHBondContact O-CE2 3.23Å
83	N	97.4	Very high	95.7	Very high	72 Å²	72	46.7 Å²	46.7	39%	0.385	22%	0.22	S	C	.	.	S	Bend	trans	-94.5	-37.9	173.1	-69.1	-26.7	0	0	0	111.1	V72 E73 N74 G136 L137	V72-N83 HydrophobicContact CG1-CB 3.73Å; E73-N83 PolarHBondContact O-ND2 2.91Å; N74-N83 PolarHBondContact OD1-N 2.87Å; N83-G136 CarbonylContact O-C 3.49Å; N83-G136 WeakPolarHBondContact O-CA 3.46Å; N83-L137 PolarHBondContact O-N 2.88Å
84	M	97.8	Very high	95.7	Very high	1 Å²	1	46.9 Å²	46.9	1%	0.005	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	128.5	-178.6	177.4	57.2	-178.7	0	0	110.4	V48 N50 N74 G81 I86 L137 V139 Y302 V335	V48-M84 HydrophobicContact CG1-CB 3.79Å; V48-M84 HydrophobicContact CG1-CG 4.06Å; V48-M84 HydrophobicContact CG1-SD 4.38Å; N50-M84 HydrophobicContact CB-CE 3.93Å; N50-M84 HydrophobicContact CB-CG 3.96Å; N50-M84 VanDerWaalsContact CG-CE 3.45Å; N50-M84 VanDerWaalsContact OD1-CE 3.3Å; N50-M84 WeakPolarHBondContact OD1-CE 3.5Å; N74-M84 PolarHBondContact ND2-O 3.3Å; N74-M84 PolarHBondContact OD1-N 3.36Å; N74-M84 VanDerWaalsContact OD1-N 3.07Å; N74-M84 PolarHBondContact OD1-O 2.95Å; G81-M84 PolarHBondContact N-O 2.95Å; G81-M84 CarbonylContact O-C 3.43Å; M84-I86 HydrophobicContact CE-CB 4.25Å; M84-L137 CarbonylContact C-O 3.51Å; M84-L137 HydrophobicContact SD-CB 3.27Å; M84-L137 WeakPolarHBondContact SD-CB 3.5Å; M84-L137 HydrophobicContact SD-CD2 3.86Å; M84-L137 HydrophobicContact SD-CG 4.23Å; M84-V139 HydrophobicContact CE-CB 4.16Å; M84-V139 HydrophobicContact CE-CG2 3.6Å; M84-V139 HydrophobicContact SD-CG2 4.25Å; M84-Y302 WeakPolarHBondContact CE-OH 3.06Å; M84-V335 HydrophobicContact CE-CG1 3.91Å
85	S	98.1	Very high	95.8	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	122.8	169.3	-74.8	0	0	0	0	109.4	G81 L130 L137 A138 V139	G81-S85 PolarHBondContact N-OG 3.16Å; G81-S85 PolarHBondContact O-OG 3.18Å; S85-L130 WeakPolarHBondContact OG-CD2 3.43Å; S85-L137 PolarHBondContact N-O 3.1Å; S85-A138 CarbonylContact O-C 3.52Å; S85-A138 WeakPolarHBondContact O-CA 3.18Å; S85-V139 PolarHBondContact O-N 3.06Å
86	I	98.1	Very high	96	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	138.6	171.1	-171.7	175.6	0	0	0	108.9	F79 Q80 M84 Y88 V139 D141 Y302	F79-I86 HydrophobicContact CD1-CG2 4.05Å; F79-I86 HydrophobicContact CE1-CG2 3.19Å; F79-I86 HydrophobicContact CE2-CG2 4.43Å; F79-I86 HydrophobicContact CZ-CG2 3.42Å; F79-I86 VanDerWaalsContact CZ-CG2 3.42Å; Q80-I86 PolarHBondContact NE2-O 3.45Å; M84-I86 HydrophobicContact CE-CB 4.25Å; I86-Y88 HydrophobicContact CD1-CE1 3.95Å; I86-V139 CarbonylContact C-O 3.54Å; I86-V139 VanDerWaalsContact CA-O 3.25Å; I86-V139 WeakPolarHBondContact CA-O 3.43Å; I86-V139 HydrophobicContact CB-CB 4.38Å; I86-V139 HydrophobicContact CG1-CB 4.16Å; I86-V139 HydrophobicContact CG1-CG1 4.28Å; I86-D141 HydrophobicContact CD1-CB 3.83Å; I86-D141 HydrophobicContact CG1-CB 3.84Å; I86-Y302 HydrophobicContact CD1-CE1 4.37Å
87	F	98.3	Very high	96.3	Very high	2 Å²	2	36.5 Å²	36.5	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	104.9	179.2	-60.3	-88.7	0	0	0	109.4	L92 L129 L130 A138 V139 D141 W211	F87-L92 HydrophobicContact CB-CB 3.78Å; F87-L92 HydrophobicContact CB-CD2 4.14Å; F87-L92 HydrophobicContact CD1-CB 4.03Å; F87-L92 HydrophobicContact CD1-CD1 4.15Å; F87-L92 HydrophobicContact CD1-CG 4.48Å; F87-L92 HydrophobicContact CD2-CD2 4.34Å; F87-L92 HydrophobicContact CE1-CD1 4.31Å; F87-L92 HydrophobicContact CG-CB 4.09Å; F87-L92 HydrophobicContact CG-CD2 4.11Å; F87-L92 HydrophobicContact CG-CG 4.49Å; F87-L129 HydrophobicContact CE1-CD2 3.55Å; F87-L129 HydrophobicContact CZ-CD2 3.81Å; F87-L130 HydrophobicContact CE2-CD1 4.46Å; F87-L130 HydrophobicContact CZ-CD1 4.11Å; F87-L130 HydrophobicContact CZ-CG 4.41Å; F87-A138 HydrophobicContact CE2-CB 4.49Å; F87-V139 PolarHBondContact N-O 3.05Å; F87-D141 PolarHBondContact O-N 3.27Å; F87-W211 HydrophobicContact CE2-CH2 4.13Å; F87-W211 HydrophobicContact CE2-CZ3 4.05Å; F87-W211 HydrophobicContact CZ-CH2 4.5Å
88	Y	97.5	Very high	96.6	Very high	59 Å²	59	36.8 Å²	36.8	23%	0.231	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	168.4	172.6	-63.9	-60.6	0	0	0	111.5	F79 I86 N90 Q91 D141 W337	F79-Y88 HydrophobicContact CD1-CE2 4.49Å; F79-Y88 AromaticContact CE1-CE2 3.48Å; F79-Y88 HydrophobicContact CE1-CE2 3.48Å; F79-Y88 VanDerWaalsContact CE1-CE2 3.48Å; F79-Y88 AromaticContact CE1-CZ 3.83Å; F79-Y88 HydrophobicContact CZ-CE2 4.06Å; F79-Y88 AromaticContact CZ-CZ 3.93Å; F79-Y88 WeakPolarHBondContact CZ-OH 3.37Å; I86-Y88 HydrophobicContact CD1-CE1 3.95Å; Y88-N90 PolarHBondContact O-N 3.17Å; Y88-Q91 PolarHBondContact O-N 3.31Å; Y88-D141 HydrophobicContact CD1-CB 3.88Å; Y88-D141 WeakPolarHBondContact CD1-OD2 3.44Å; Y88-D141 HydrophobicContact CE1-CB 4.3Å; Y88-D141 WeakPolarHBondContact CE1-OD2 3.26Å; Y88-W337 PolarHBondContact OH-NE1 3.15Å
89	H	94.3	Very high	96.8	Very high	52 Å²	52	31.6 Å²	31.6	24%	0.241	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.8	-25.5	-176.7	74.8	97.4	0	0	0	115.6	Y95 Y97 D141 E144	H89-Y95 HydrophobicContact CB-CD1 3.81Å; H89-Y95 HydrophobicContact CB-CE1 4.06Å; H89-Y95 WeakPolarHBondContact O-CB 3.4Å; H89-Y97 AromaticContact CE1-CE2 3.96Å; H89-Y97 AromaticContact CE1-CZ 3.76Å; H89-Y97 AromaticContact ND1-CE1 3.63Å; H89-Y97 AromaticContact ND1-CE2 3.87Å; H89-Y97 AromaticContact ND1-CZ 3.55Å; H89-D141 PolarHBondContact N-O 3.27Å; H89-E144 HydrophobicContact CB-CG 4.42Å
90	N	93.8	Very high	96.7	Very high	104 Å²	104	39.1 Å²	39.1	56%	0.556	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.5	10.9	179.3	67	-19.1	0	0	0	114.6	Y88	Y88-N90 PolarHBondContact O-N 3.17Å
91	Q	96.5	Very high	96.8	Very high	62 Å²	62	43.5 Å²	43.5	29%	0.29	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117	-3.9	-173.2	-66.2	178	-24.7	0	0	114.3	Y88 Q125	Y88-Q91 PolarHBondContact O-N 3.31Å; Q91-Q125 PolarHBondContact O-OE1 2.87Å
92	L	98.1	Very high	96.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.231	C	C	.	.	S	Bend	trans	-143	108.5	-179.9	-172.4	66.2	0	0	0	111.7	F87 H118 A122 Q125 I126 I140 T198	F87-L92 HydrophobicContact CB-CB 3.78Å; F87-L92 HydrophobicContact CB-CD2 4.14Å; F87-L92 HydrophobicContact CD1-CB 4.03Å; F87-L92 HydrophobicContact CD1-CD1 4.15Å; F87-L92 HydrophobicContact CD1-CG 4.48Å; F87-L92 HydrophobicContact CD2-CD2 4.34Å; F87-L92 HydrophobicContact CE1-CD1 4.31Å; F87-L92 HydrophobicContact CG-CB 4.09Å; F87-L92 HydrophobicContact CG-CD2 4.11Å; F87-L92 HydrophobicContact CG-CG 4.49Å; L92-H118 PolarHBondContact O-CE1 2.74Å; L92-A122 HydrophobicContact CD1-CB 3.88Å; L92-A122 HydrophobicContact CG-CB 4.25Å; L92-Q125 VanDerWaalsContact CA-OE1 3.25Å; L92-I126 HydrophobicContact CD1-CD1 3.91Å; L92-I126 HydrophobicContact CD1-CG1 3.66Å; L92-I140 HydrophobicContact CD2-CD1 3.87Å; L92-I140 HydrophobicContact CD2-CG1 3.81Å; L92-I140 HydrophobicContact CD2-CG2 4.26Å; L92-T198 HydrophobicContact CD2-CG2 3.77Å; L92-T198 HydrophobicContact CG-CG2 4.27Å
93	G	98.6	Very high	96.7	Very high	7 Å²	7	48 Å²	48	7%	0.072	25%	0.247	C	C	.	.	S	Bend	trans	62.6	-163	-177.5	0	0	0	0	0	113.6	H118	G93-H118 VanDerWaalsContact CA-O 3.32Å; G93-H118 WeakPolarHBondContact CA-O 3.08Å
94	L	98.7	Very high	96.8	Very high	54 Å²	54	49.7 Å²	49.7	28%	0.283	25%	0.253	S	S	.	.			trans	-99.4	65.5	175.5	-62	176.2	0	0	0	110	P96 N106 A117 H118 L121	L94-P96 WeakPolarHBondContact O-CD 3.3Å; L94-N106 VanDerWaalsContact C-ND2 3.29Å; L94-N106 WeakPolarHBondContact CA-ND2 3.5Å; L94-N106 HydrophobicContact CB-CB 4.38Å; L94-A117 HydrophobicContact CD1-CB 3.77Å; L94-H118 HydrophobicContact CB-CB 4.13Å; L94-H118 PolarHBondContact N-ND1 2.69Å; L94-H118 PolarHBondContact O-ND1 2.95Å; L94-L121 HydrophobicContact CD2-CD2 3.57Å; L94-L121 HydrophobicContact CG-CD2 3.89Å
95	Y	98.7	Very high	96.8	Very high	1 Å²	1	51.5 Å²	51.5	0%	0.004	26%	0.264	C	S	.	.			trans	-61.9	128.2	-180	176.7	-115.8	0	0	0	110.5	H89 Y97 N106 H118 W142 E144 W145	H89-Y95 HydrophobicContact CB-CD1 3.81Å; H89-Y95 HydrophobicContact CB-CE1 4.06Å; H89-Y95 WeakPolarHBondContact O-CB 3.4Å; Y95-Y97 HydrophobicContact CD1-CD1 4.04Å; Y95-Y97 HydrophobicContact CD1-CG 4.5Å; Y95-Y97 WeakPolarHBondContact O-CD1 3.39Å; Y95-N106 PolarHBondContact O-ND2 3.28Å; Y95-H118 PolarHBondContact N-ND1 2.99Å; Y95-W142 HydrophobicContact CD1-CD2 4.43Å; Y95-W142 HydrophobicContact CD1-CG 4.32Å; Y95-W142 AromaticContact CD2-CD2 3.28Å; Y95-W142 HydrophobicContact CD2-CD2 3.28Å; Y95-W142 AromaticContact CD2-CE2 3.58Å; Y95-W142 AromaticContact CD2-CE3 3.26Å; Y95-W142 HydrophobicContact CD2-CE3 3.26Å; Y95-W142 AromaticContact CD2-CG 3.93Å; Y95-W142 HydrophobicContact CD2-CG 3.93Å; Y95-W142 AromaticContact CD2-CH2 3.87Å; Y95-W142 HydrophobicContact CD2-CH2 3.87Å; Y95-W142 AromaticContact CD2-CZ2 3.88Å; Y95-W142 HydrophobicContact CD2-CZ2 3.88Å; Y95-W142 AromaticContact CD2-CZ3 3.56Å; Y95-W142 HydrophobicContact CD2-CZ3 3.56Å; Y95-W142 HydrophobicContact CE1-CB 4.27Å; Y95-W142 HydrophobicContact CE1-CG 4.17Å; Y95-W142 HydrophobicContact CE2-CB 3.97Å; Y95-W142 AromaticContact CE2-CD2 3.4Å; Y95-W142 HydrophobicContact CE2-CD2 3.4Å; Y95-W142 AromaticContact CE2-CE3 3.22Å; Y95-W142 HydrophobicContact CE2-CE3 3.22Å; Y95-W142 AromaticContact CE2-CG 3.76Å; Y95-W142 HydrophobicContact CE2-CG 3.76Å; Y95-W142 AromaticContact CE2-CZ3 3.9Å; Y95-W142 HydrophobicContact CE2-CZ3 3.9Å; Y95-W142 AromaticContact CG-CD2 3.84Å; Y95-W142 HydrophobicContact CG-CD2 3.84Å; Y95-W142 AromaticContact CG-CE2 3.78Å; Y95-W142 HydrophobicContact CG-CE3 4.25Å; Y95-W142 HydrophobicContact CG-CG 4.2Å; Y95-W142 HydrophobicContact CG-CZ2 4.17Å; Y95-W142 AromaticContact CZ-CG 3.9Å; Y95-E144 HydrophobicContact CE1-CB 3.81Å; Y95-E144 HydrophobicContact CE1-CG 3.81Å; Y95-W145 AromaticContact CD2-CZ2 3.96Å; Y95-W145 HydrophobicContact CD2-CZ2 3.96Å; Y95-W145 HydrophobicContact CE2-CD2 4.35Å; Y95-W145 AromaticContact CE2-CE2 3.4Å; Y95-W145 VanDerWaalsContact CE2-CE2 3.4Å; Y95-W145 AromaticContact CE2-CH2 3.88Å; Y95-W145 HydrophobicContact CE2-CH2 3.88Å; Y95-W145 AromaticContact CE2-CZ2 3.15Å; Y95-W145 HydrophobicContact CE2-CZ2 3.15Å; Y95-W145 AromaticContact CE2-NE1 3.58Å; Y95-W145 AromaticContact CZ-CE2 3.59Å; Y95-W145 AromaticContact CZ-CZ2 3.87Å; Y95-W145 AromaticContact CZ-NE1 3.4Å; Y95-W145 VanDerWaalsContact OH-CE2 3.29Å; Y95-W145 PolarHBondContact OH-N 2.9Å; Y95-W145 PolarHBondContact OH-NE1 2.04Å
96	P	98.6	Very high	96.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.28	C	S	.	.			trans	-80.2	128.5	178.8	27.6	-29.5	0	0	0	111.1	L94 V105 N106 P110 W145 F194	L94-P96 WeakPolarHBondContact O-CD 3.3Å; P96-V105 WeakPolarHBondContact CA-O 3.48Å; P96-N106 HydrophobicContact CB-CB 4.43Å; P96-N106 WeakPolarHBondContact CB-O 3.36Å; P96-P110 HydrophobicContact CG-CB 4.19Å; P96-W145 HydrophobicContact CG-CZ2 4.28Å; P96-W145 PolarHBondContact O-NE1 3.21Å; P96-F194 HydrophobicContact CG-CD1 4.27Å; P96-F194 HydrophobicContact CG-CE1 4.06Å; P96-F194 HydrophobicContact CG-CE2 4.45Å; P96-F194 HydrophobicContact CG-CZ 4.16Å
97	Y	98.4	Very high	96.8	Very high	41 Å²	41	55.9 Å²	55.9	16%	0.161	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	164.4	177	68.6	-81.6	0	0	0	112.6	H89 Y95 T99 V105 G108 E144	H89-Y97 AromaticContact CE1-CE2 3.96Å; H89-Y97 AromaticContact CE1-CZ 3.76Å; H89-Y97 AromaticContact ND1-CE1 3.63Å; H89-Y97 AromaticContact ND1-CE2 3.87Å; H89-Y97 AromaticContact ND1-CZ 3.55Å; Y95-Y97 HydrophobicContact CD1-CD1 4.04Å; Y95-Y97 HydrophobicContact CD1-CG 4.5Å; Y95-Y97 WeakPolarHBondContact O-CD1 3.39Å; Y97-T99 HydrophobicContact CE2-CG2 3.96Å; Y97-V105 HydrophobicContact CD1-CB 4.02Å; Y97-V105 HydrophobicContact CD1-CG1 4.17Å; Y97-V105 HydrophobicContact CE1-CB 3.7Å; Y97-V105 HydrophobicContact CE1-CG1 3.51Å; Y97-V105 HydrophobicContact CE1-CG2 4.22Å; Y97-V105 HydrophobicContact CE2-CB 4.31Å; Y97-V105 HydrophobicContact CE2-CG2 4.08Å; Y97-V105 HydrophobicContact CG-CB 4.44Å; Y97-V105 PolarHBondContact N-O 2.97Å; Y97-V105 VanDerWaalsContact N-O 3.14Å; Y97-V105 PolarHBondContact O-N 3.45Å; Y97-G108 CarbonylContact C-O 3.55Å; Y97-G108 WeakPolarHBondContact CA-O 3.44Å; Y97-G108 WeakPolarHBondContact O-CA 3.46Å; Y97-E144 HydrophobicContact CD2-CG 4.38Å; Y97-E144 HydrophobicContact CG-CG 4.23Å
98	I	98	Very high	96.8	Very high	22 Å²	22	55.8 Å²	55.8	11%	0.113	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.5	174.8	-56.3	170.1	0	0	0	107.9	L103 E158 Y159 L162	I98-L103 CarbonylContact C-O 3.52Å; I98-L103 VanDerWaalsContact CA-O 3.31Å; I98-L103 WeakPolarHBondContact CA-O 3.42Å; I98-E158 HydrophobicContact CD1-CB 4.17Å; I98-Y159 HydrophobicContact CB-CE1 4.16Å; I98-Y159 HydrophobicContact CD1-CD1 3.82Å; I98-Y159 HydrophobicContact CD1-CE1 3.81Å; I98-Y159 HydrophobicContact CD1-CG 4.26Å; I98-Y159 HydrophobicContact CG1-CD1 4.17Å; I98-Y159 HydrophobicContact CG1-CE1 3.68Å; I98-Y159 PolarHBondContact N-OH 2.84Å; I98-L162 HydrophobicContact CD1-CB 4.44Å; I98-L162 HydrophobicContact CD1-CD2 3.92Å; I98-L162 HydrophobicContact CG1-CD2 4.35Å
99	T	95.6	Very high	96.8	Very high	30 Å²	30	53 Å²	53	18%	0.184	28%	0.283	C	S	.	.			trans	-68.5	169.7	177	78	0	0	0	0	111.6	Y97 E101 G102 L103 V105	Y97-T99 HydrophobicContact CE2-CG2 3.96Å; T99-E101 VanDerWaalsContact CB-OE2 3.23Å; T99-E101 WeakPolarHBondContact CB-OE2 3.25Å; T99-E101 PolarHBondContact O-N 3.27Å; T99-E101 PolarHBondContact OG1-N 3.09Å; T99-E101 PolarHBondContact OG1-OE2 3.11Å; T99-G102 PolarHBondContact O-N 3.01Å; T99-G102 PolarHBondContact OG1-N 2.86Å; T99-L103 HydrophobicContact CG2-CB 3.94Å; T99-L103 PolarHBondContact N-O 3.23Å; T99-L103 WeakPolarHBondContact OG1-CB 3.32Å; T99-L103 PolarHBondContact OG1-N 3.13Å; T99-V105 HydrophobicContact CG2-CG2 3.71Å
100	Q	91.1	Very high	97	Very high	197 Å²	197	50.6 Å²	50.6	92%	0.921	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-29.3	175.2	-66	-172.5	-1	0	0	112.5	G102	Q100-G102 PolarHBondContact O-N 2.97Å
101	E	94	Very high	97.3	Very high	146 Å²	146	47.7 Å²	47.7	68%	0.682	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-2.4	175.2	-53.3	70.9	-150.5	0	0	112.8	T99	T99-E101 VanDerWaalsContact CB-OE2 3.23Å; T99-E101 WeakPolarHBondContact CB-OE2 3.25Å; T99-E101 PolarHBondContact O-N 3.27Å; T99-E101 PolarHBondContact OG1-N 3.09Å; T99-E101 PolarHBondContact OG1-OE2 3.11Å
102	G	93.8	Very high	97.4	Very high	46 Å²	46	51.1 Å²	51.1	47%	0.474	27%	0.265	S	S	.	.			trans	85.4	11.3	179.6	0	0	0	0	0	114.7	T99 Q100	T99-G102 PolarHBondContact O-N 3.01Å; T99-G102 PolarHBondContact OG1-N 2.86Å; Q100-G102 PolarHBondContact O-N 2.97Å
103	L	96.6	Very high	97.4	Very high	111 Å²	111	52 Å²	52	58%	0.581	27%	0.274	S	S	*	.			trans	-74.7	134.4	178	-62.3	174.5	0	0	0	110.6	I98 T99 V105	I98-L103 CarbonylContact C-O 3.52Å; I98-L103 VanDerWaalsContact CA-O 3.31Å; I98-L103 WeakPolarHBondContact CA-O 3.42Å; T99-L103 HydrophobicContact CG2-CB 3.94Å; T99-L103 PolarHBondContact N-O 3.23Å; T99-L103 WeakPolarHBondContact OG1-CB 3.32Å; T99-L103 PolarHBondContact OG1-N 3.13Å; L103-V105 PolarHBondContact O-N 2.87Å
104	Q	98	Very high	97.4	Very high	108 Å²	108	56.3 Å²	56.3	51%	0.505	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	108.1	178.3	-64.4	171.9	36.8	0	0	109.6	L162	Q104-L162 HydrophobicContact CG-CD2 3.79Å
105	V	98.4	Very high	97.4	Very high	40 Å²	40	55.9 Å²	55.9	24%	0.242	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	133.3	176.7	-178.6	0	0	0	0	108.9	P96 Y97 T99 L103 G107 G108	P96-V105 WeakPolarHBondContact CA-O 3.48Å; Y97-V105 HydrophobicContact CD1-CB 4.02Å; Y97-V105 HydrophobicContact CD1-CG1 4.17Å; Y97-V105 HydrophobicContact CE1-CB 3.7Å; Y97-V105 HydrophobicContact CE1-CG1 3.51Å; Y97-V105 HydrophobicContact CE1-CG2 4.22Å; Y97-V105 HydrophobicContact CE2-CB 4.31Å; Y97-V105 HydrophobicContact CE2-CG2 4.08Å; Y97-V105 HydrophobicContact CG-CB 4.44Å; Y97-V105 PolarHBondContact N-O 2.97Å; Y97-V105 VanDerWaalsContact N-O 3.14Å; Y97-V105 PolarHBondContact O-N 3.45Å; T99-V105 HydrophobicContact CG2-CG2 3.71Å; L103-V105 PolarHBondContact O-N 2.87Å; V105-G107 PolarHBondContact O-N 3.31Å; V105-G108 PolarHBondContact O-N 2.84Å
106	N	98.4	Very high	97.4	Very high	63 Å²	63	63.7 Å²	63.7	34%	0.337	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.3	38.6	-177.1	-52.5	-41	0	0	0	113.2	L94 Y95 P96 G113	L94-N106 VanDerWaalsContact C-ND2 3.29Å; L94-N106 WeakPolarHBondContact CA-ND2 3.5Å; L94-N106 HydrophobicContact CB-CB 4.38Å; Y95-N106 PolarHBondContact O-ND2 3.28Å; P96-N106 HydrophobicContact CB-CB 4.43Å; P96-N106 WeakPolarHBondContact CB-O 3.36Å; N106-G113 WeakPolarHBondContact O-CA 3.24Å
107	G	97.4	Very high	97.4	Very high	28 Å²	28	65.3 Å²	65.3	29%	0.289	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	91	-6.8	-177.5	0	0	0	0	0	115.1	V105 V109	V105-G107 PolarHBondContact O-N 3.31Å; G107-V109 PolarHBondContact O-N 3.16Å
108	G	98.3	Very high	97.4	Very high	0 Å²	0	63.3 Å²	63.3	0%	0	34%	0.335	C	S	.	.	S	Bend	trans	76	-39	172.2	0	0	0	0	0	115.3	Y97 V105 Y159	Y97-G108 CarbonylContact C-O 3.55Å; Y97-G108 WeakPolarHBondContact CA-O 3.44Å; Y97-G108 WeakPolarHBondContact O-CA 3.46Å; V105-G108 PolarHBondContact O-N 2.84Å; G108-Y159 VanDerWaalsContact O-CE1 3.25Å; G108-Y159 WeakPolarHBondContact O-CE1 3.49Å
109	V	98.7	Very high	97.5	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	34%	0.339	C	S	.	.	S	Bend	trans	-125.1	150.8	178.1	-75.1	0	0	0	0	110.2	G107 Q111 R112 G113 Y159 L162 L166	G107-V109 PolarHBondContact O-N 3.16Å; V109-Q111 VanDerWaalsContact C-N 3.33Å; V109-Q111 HydrophobicContact CG2-CG 4.43Å; V109-Q111 PolarHBondContact O-N 3.49Å; V109-R112 HydrophobicContact CG2-CB 4.08Å; V109-R112 HydrophobicContact CG2-CG 3.86Å; V109-R112 PolarHBondContact O-N 3.05Å; V109-G113 PolarHBondContact O-N 2.93Å; V109-Y159 HydrophobicContact CG1-CD1 3.91Å; V109-L162 HydrophobicContact CG1-CB 4.21Å; V109-L162 HydrophobicContact CG1-CD2 3.89Å; V109-L162 HydrophobicContact CG1-CG 4.11Å; V109-L162 HydrophobicContact CG2-CD2 4.31Å; V109-L162 HydrophobicContact CG2-CG 4.41Å; V109-L166 HydrophobicContact CG2-CD1 3.63Å
110	P	98.7	Very high	97.6	Very high	2 Å²	2	65.3 Å²	65.3	1%	0.013	35%	0.352	C	S	.	.	G	3₁₀ helix	trans	-63.9	-32	-171.2	25.3	-35.6	0	0	0	114.6	P96 R112 G113 W145 F187 A191 F194	P96-P110 HydrophobicContact CG-CB 4.19Å; P110-R112 PolarHBondContact O-N 3.49Å; P110-R112 VanDerWaalsContact O-N 3.17Å; P110-G113 PolarHBondContact O-N 2.81Å; P110-W145 HydrophobicContact CB-CH2 4.2Å; P110-W145 HydrophobicContact CB-CZ2 3.85Å; P110-W145 HydrophobicContact CG-CD2 4.5Å; P110-W145 HydrophobicContact CG-CH2 4.45Å; P110-W145 HydrophobicContact CG-CZ2 4.17Å; P110-F187 HydrophobicContact CG-CD2 3.82Å; P110-F187 HydrophobicContact CG-CE2 3.77Å; P110-F187 HydrophobicContact CG-CZ 4.41Å; P110-A191 HydrophobicContact CB-CB 4.46Å; P110-A191 HydrophobicContact CG-CB 3.96Å; P110-F194 HydrophobicContact CB-CD2 4.11Å; P110-F194 VanDerWaalsContact O-CE2 3.25Å; P110-F194 WeakPolarHBondContact O-CE2 3.34Å
111	Q	98.5	Very high	98	Very high	44 Å²	44	58.9 Å²	58.9	21%	0.206	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-71.6	-5.4	176.6	74	-85	20.8	0	0	114.7	V109 S163 E186	V109-Q111 VanDerWaalsContact C-N 3.33Å; V109-Q111 HydrophobicContact CG2-CG 4.43Å; V109-Q111 PolarHBondContact O-N 3.49Å; Q111-S163 VanDerWaalsContact NE2-CB 3.29Å; Q111-S163 PolarHBondContact NE2-OG 3.33Å; Q111-E186 HydrophobicContact CB-CB 4.06Å; Q111-E186 HydrophobicContact CG-CB 4Å
112	R	98.4	Very high	98.2	Very high	134 Å²	134	52 Å²	52	51%	0.506	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-112.6	-3.4	174.3	-66.7	-61.3	-61.1	-161.4	2.2	112.9	V109 P110 L166 E170	V109-R112 HydrophobicContact CG2-CB 4.08Å; V109-R112 HydrophobicContact CG2-CG 3.86Å; V109-R112 PolarHBondContact O-N 3.05Å; P110-R112 PolarHBondContact O-N 3.49Å; P110-R112 VanDerWaalsContact O-N 3.17Å; R112-L166 HydrophobicContact CG-CD1 3.56Å; R112-E170 IonicContact NH1-OE1 2.81Å; R112-E170 PolarHBondContact NH1-OE1 2.83Å
113	G	98.2	Very high	98.5	Very high	17 Å²	17	54.4 Å²	54.4	18%	0.175	29%	0.291	C	S	.	.	S	Bend	trans	-76.2	146.2	177.8	0	0	0	0	0	111.5	N106 V109 P110 L115	N106-G113 WeakPolarHBondContact O-CA 3.24Å; V109-G113 PolarHBondContact O-N 2.93Å; P110-G113 PolarHBondContact O-N 2.81Å; G113-L115 PolarHBondContact O-N 2.66Å
114	D	98.7	Very high	98.6	Very high	98 Å²	98	53.6 Å²	53.6	52%	0.524	29%	0.291	S	S	.	.			trans	-81.7	99.8	170.7	-174	-23.5	0	0	0	109.2	E116 A117 H118	D114-E116 PolarHBondContact OD1-N 3.19Å; D114-E116 VanDerWaalsContact OD1-N 3.14Å; D114-A117 HydrophobicContact CB-CB 4.04Å; D114-A117 VanDerWaalsContact CG-CB 3.44Å; D114-A117 PolarHBondContact OD1-N 3.46Å; D114-H118 VanDerWaalsContact O-CB 3.24Å; D114-H118 WeakPolarHBondContact O-CB 3.5Å; D114-H118 PolarHBondContact O-N 3.16Å
115	L	98.8	Very high	98.6	Very high	46 Å²	46	51 Å²	51	24%	0.241	28%	0.278	C	S	.	.	H	α-helix	trans	-68.1	-34.9	-177.2	-177.4	60.6	0	0	0	112.3	G113 H118 L119 D193 F194 E197	G113-L115 PolarHBondContact O-N 2.66Å; L115-H118 WeakPolarHBondContact O-CB 3.38Å; L115-H118 PolarHBondContact O-N 3Å; L115-L119 HydrophobicContact CD1-CD1 4.14Å; L115-L119 HydrophobicContact CD1-CG 4.16Å; L115-L119 HydrophobicContact CG-CD1 4Å; L115-L119 HydrophobicContact CG-CG 4.43Å; L115-L119 VanDerWaalsContact O-CG 3.24Å; L115-L119 WeakPolarHBondContact O-CG 3.44Å; L115-L119 PolarHBondContact O-N 3.4Å; L115-D193 HydrophobicContact CD2-CB 3.93Å; L115-F194 HydrophobicContact CB-CE2 4.13Å; L115-F194 HydrophobicContact CB-CZ 4.2Å; L115-F194 HydrophobicContact CD1-CD1 4.04Å; L115-F194 HydrophobicContact CD1-CD2 4.04Å; L115-F194 HydrophobicContact CD1-CE1 4.19Å; L115-F194 HydrophobicContact CD1-CE2 4.18Å; L115-F194 HydrophobicContact CD1-CG 3.97Å; L115-F194 HydrophobicContact CD1-CZ 4.24Å; L115-E197 HydrophobicContact CD1-CB 4.49Å; L115-E197 HydrophobicContact CD2-CG 4.26Å
116	E	98.8	Very high	98.6	Very high	164 Å²	164	49.1 Å²	49.1	77%	0.766	27%	0.267	S	S	*	.	H	α-helix	trans	-68.6	-49.2	-179.4	-175.1	178.5	171	0	0	110.3	D114 H118 L119 A120	D114-E116 PolarHBondContact OD1-N 3.19Å; D114-E116 VanDerWaalsContact OD1-N 3.14Å; E116-H118 VanDerWaalsContact C-N 3.27Å; E116-H118 PolarHBondContact O-N 3.14Å; E116-L119 PolarHBondContact O-N 2.95Å; E116-A120 WeakPolarHBondContact O-CB 3.27Å; E116-A120 PolarHBondContact O-N 2.86Å
117	A	98.8	Very high	98.6	Very high	34 Å²	34	48.9 Å²	48.9	28%	0.281	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-37.4	175.4	0	0	0	0	0	111.8	L94 D114 L121	L94-A117 HydrophobicContact CD1-CB 3.77Å; D114-A117 HydrophobicContact CB-CB 4.04Å; D114-A117 VanDerWaalsContact CG-CB 3.44Å; D114-A117 PolarHBondContact OD1-N 3.46Å; A117-L121 PolarHBondContact O-N 3.4Å; A117-L121 VanDerWaalsContact O-N 3.16Å
118	H	98.9	Very high	98.6	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-56.9	-52.7	173.4	172.6	92.6	0	0	0	111.8	L92 G93 L94 Y95 D114 L115 E116 L121 A122 W142 F194 T198	L92-H118 PolarHBondContact O-CE1 2.74Å; G93-H118 VanDerWaalsContact CA-O 3.32Å; G93-H118 WeakPolarHBondContact CA-O 3.08Å; L94-H118 HydrophobicContact CB-CB 4.13Å; L94-H118 PolarHBondContact N-ND1 2.69Å; L94-H118 PolarHBondContact O-ND1 2.95Å; Y95-H118 PolarHBondContact N-ND1 2.99Å; D114-H118 VanDerWaalsContact O-CB 3.24Å; D114-H118 WeakPolarHBondContact O-CB 3.5Å; D114-H118 PolarHBondContact O-N 3.16Å; L115-H118 WeakPolarHBondContact O-CB 3.38Å; L115-H118 PolarHBondContact O-N 3Å; E116-H118 VanDerWaalsContact C-N 3.27Å; E116-H118 PolarHBondContact O-N 3.14Å; H118-L121 PolarHBondContact O-N 3.05Å; H118-A122 WeakPolarHBondContact O-CB 3.45Å; H118-A122 PolarHBondContact O-N 3.21Å; H118-W142 AromaticContact CE1-CH2 3.4Å; H118-W142 WeakPolarHBondContact CE1-CH2 3.44Å; H118-W142 AromaticContact CE1-CZ2 3.59Å; H118-W142 AromaticContact NE2-CH2 3.59Å; H118-F194 HydrophobicContact CB-CE1 3.75Å; H118-F194 HydrophobicContact CB-CZ 4.45Å; H118-F194 AromaticContact CG-CD1 3.95Å; H118-F194 AromaticContact CG-CE1 3.63Å; H118-F194 AromaticContact ND1-CD1 3.92Å; H118-F194 AromaticContact ND1-CE1 3.71Å; H118-T198 PolarHBondContact NE2-OG1 2.93Å
119	L	98.9	Very high	98.5	Very high	38 Å²	38	54.2 Å²	54.2	20%	0.199	30%	0.304	C	S	.	.	H	α-helix	trans	-67.8	-38.1	-176.7	-67.8	170.1	0	0	0	111.8	L115 E116 L121 A122 Q123 E197 L201	L115-L119 HydrophobicContact CD1-CD1 4.14Å; L115-L119 HydrophobicContact CD1-CG 4.16Å; L115-L119 HydrophobicContact CG-CD1 4Å; L115-L119 HydrophobicContact CG-CG 4.43Å; L115-L119 VanDerWaalsContact O-CG 3.24Å; L115-L119 WeakPolarHBondContact O-CG 3.44Å; L115-L119 PolarHBondContact O-N 3.4Å; E116-L119 PolarHBondContact O-N 2.95Å; L119-L121 PolarHBondContact O-N 3.31Å; L119-A122 PolarHBondContact O-N 2.87Å; L119-Q123 WeakPolarHBondContact O-CB 3.29Å; L119-Q123 PolarHBondContact O-N 3.25Å; L119-E197 HydrophobicContact CD1-CB 3.98Å; L119-E197 HydrophobicContact CD2-CB 3.99Å; L119-L201 HydrophobicContact CB-CD2 4.27Å; L119-L201 HydrophobicContact CD2-CB 4.34Å; L119-L201 HydrophobicContact CD2-CD2 3.93Å; L119-L201 WeakPolarHBondContact O-CD2 3.34Å
120	A	98.9	Very high	98.5	Very high	55 Å²	55	54.4 Å²	54.4	46%	0.455	31%	0.305	S	S	.	.	H	α-helix	trans	-60.6	-43.7	176.3	0	0	0	0	0	112.2	E116 T124	E116-A120 WeakPolarHBondContact O-CB 3.27Å; E116-A120 PolarHBondContact O-N 2.86Å; A120-T124 PolarHBondContact O-N 2.92Å; A120-T124 PolarHBondContact O-OG1 2.83Å; A120-T124 VanDerWaalsContact O-OG1 3.12Å
121	L	98.9	Very high	98.4	Very high	63 Å²	63	63 Å²	63	33%	0.33	34%	0.337	S	S	.	.	H	α-helix	trans	-68.4	-44.3	175.3	179.8	59	0	0	0	111.6	L94 A117 H118 L119 Q123 T124 Q125	L94-L121 HydrophobicContact CD2-CD2 3.57Å; L94-L121 HydrophobicContact CG-CD2 3.89Å; A117-L121 PolarHBondContact O-N 3.4Å; A117-L121 VanDerWaalsContact O-N 3.16Å; H118-L121 PolarHBondContact O-N 3.05Å; L119-L121 PolarHBondContact O-N 3.31Å; L121-Q123 VanDerWaalsContact C-N 3.32Å; L121-Q123 PolarHBondContact O-N 3.27Å; L121-T124 WeakPolarHBondContact O-CB 3.26Å; L121-T124 PolarHBondContact O-N 3.06Å; L121-T124 VanDerWaalsContact O-N 3.15Å; L121-Q125 HydrophobicContact CD1-CG 4.19Å; L121-Q125 HydrophobicContact CG-CG 4.42Å; L121-Q125 WeakPolarHBondContact O-CG 3.43Å; L121-Q125 PolarHBondContact O-N 2.79Å
122	A	98.8	Very high	98.3	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-58.6	-42.7	178.2	0	0	0	0	0	111.8	L92 H118 L119 T124 Q125 I126 L201	L92-A122 HydrophobicContact CD1-CB 3.88Å; L92-A122 HydrophobicContact CG-CB 4.25Å; H118-A122 WeakPolarHBondContact O-CB 3.45Å; H118-A122 PolarHBondContact O-N 3.21Å; L119-A122 PolarHBondContact O-N 2.87Å; A122-T124 VanDerWaalsContact C-N 3.3Å; A122-T124 PolarHBondContact O-N 3.32Å; A122-Q125 PolarHBondContact O-N 2.62Å; A122-I126 WeakPolarHBondContact O-CB 3.12Å; A122-I126 VanDerWaalsContact O-CG1 3.24Å; A122-I126 WeakPolarHBondContact O-CG1 3.33Å; A122-I126 PolarHBondContact O-N 3.29Å; A122-L201 HydrophobicContact CB-CD2 3.92Å
123	Q	98.8	Very high	98.2	Very high	98 Å²	98	62.7 Å²	62.7	46%	0.458	36%	0.364	S	S	.	.	H	α-helix	trans	-58	-43.9	176.4	174	169.7	-29.4	0	0	111.8	L119 L121 S127 L201 L205	L119-Q123 WeakPolarHBondContact O-CB 3.29Å; L119-Q123 PolarHBondContact O-N 3.25Å; L121-Q123 VanDerWaalsContact C-N 3.32Å; L121-Q123 PolarHBondContact O-N 3.27Å; Q123-S127 VanDerWaalsContact O-CB 3.23Å; Q123-S127 WeakPolarHBondContact O-CB 3.46Å; Q123-S127 PolarHBondContact O-N 3.08Å; Q123-S127 PolarHBondContact O-OG 3.49Å; Q123-L201 HydrophobicContact CB-CD1 4.26Å; Q123-L201 HydrophobicContact CB-CD2 4.1Å; Q123-L205 HydrophobicContact CB-CD1 4.26Å; Q123-L205 HydrophobicContact CG-CD1 4.01Å; Q123-L205 HydrophobicContact CG-CD2 4.43Å
124	T	98.6	Very high	98.2	Very high	94 Å²	94	62 Å²	62	58%	0.577	36%	0.356	S	S	*	.	H	α-helix	trans	-65.1	-46.7	178.8	-57.4	0	0	0	0	110.9	A120 L121 A122 S127 A128	A120-T124 PolarHBondContact O-N 2.92Å; A120-T124 PolarHBondContact O-OG1 2.83Å; A120-T124 VanDerWaalsContact O-OG1 3.12Å; L121-T124 WeakPolarHBondContact O-CB 3.26Å; L121-T124 PolarHBondContact O-N 3.06Å; L121-T124 VanDerWaalsContact O-N 3.15Å; A122-T124 VanDerWaalsContact C-N 3.3Å; A122-T124 PolarHBondContact O-N 3.32Å; T124-S127 PolarHBondContact O-N 2.93Å; T124-A128 WeakPolarHBondContact O-CB 3.29Å; T124-A128 PolarHBondContact O-N 2.92Å
125	Q	98.4	Very high	98.1	Very high	53 Å²	53	65 Å²	65	25%	0.248	36%	0.36	C	S	.	.	H	α-helix	trans	-64.2	-44.9	179.6	-72	168.8	-35.1	0	0	112.5	Q91 L92 L121 A122 S127 A128 L129	Q91-Q125 PolarHBondContact O-OE1 2.87Å; L92-Q125 VanDerWaalsContact CA-OE1 3.25Å; L121-Q125 HydrophobicContact CD1-CG 4.19Å; L121-Q125 HydrophobicContact CG-CG 4.42Å; L121-Q125 WeakPolarHBondContact O-CG 3.43Å; L121-Q125 PolarHBondContact O-N 2.79Å; A122-Q125 PolarHBondContact O-N 2.62Å; Q125-S127 VanDerWaalsContact C-N 3.3Å; Q125-S127 PolarHBondContact O-N 2.95Å; Q125-A128 PolarHBondContact O-N 3.26Å; Q125-L129 WeakPolarHBondContact O-CB 3.49Å; Q125-L129 PolarHBondContact O-N 3.3Å; Q125-L129 VanDerWaalsContact O-N 3.07Å
126	I	98.6	Very high	98	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-60.3	-44	175	-68.7	168.9	0	0	0	110.2	L92 A122 A128 L129 L130 L205 R206 W211	L92-I126 HydrophobicContact CD1-CD1 3.91Å; L92-I126 HydrophobicContact CD1-CG1 3.66Å; A122-I126 WeakPolarHBondContact O-CB 3.12Å; A122-I126 VanDerWaalsContact O-CG1 3.24Å; A122-I126 WeakPolarHBondContact O-CG1 3.33Å; A122-I126 PolarHBondContact O-N 3.29Å; I126-A128 PolarHBondContact O-N 3.49Å; I126-L129 PolarHBondContact O-N 3.42Å; I126-L130 HydrophobicContact CG2-CD1 4.38Å; I126-L130 PolarHBondContact O-N 3.45Å; I126-L205 HydrophobicContact CB-CD1 4.04Å; I126-L205 HydrophobicContact CD1-CD1 4.19Å; I126-L205 HydrophobicContact CG2-CB 4.12Å; I126-L205 HydrophobicContact CG2-CD1 3.83Å; I126-R206 HydrophobicContact CG2-CG 4.11Å; I126-W211 HydrophobicContact CD1-CH2 3.82Å; I126-W211 HydrophobicContact CD1-CZ3 4.44Å; I126-W211 HydrophobicContact CG1-CH2 3.99Å; I126-W211 HydrophobicContact CG2-CH2 4.33Å; I126-W211 HydrophobicContact CG2-CZ2 4.36Å
127	S	98	Very high	98	Very high	58 Å²	58	55.5 Å²	55.5	41%	0.406	32%	0.316	S	S	.	.	H	α-helix	trans	-67.3	-36.1	-177.4	-62.7	0	0	0	0	113.1	Q123 T124 Q125	Q123-S127 VanDerWaalsContact O-CB 3.23Å; Q123-S127 WeakPolarHBondContact O-CB 3.46Å; Q123-S127 PolarHBondContact O-N 3.08Å; Q123-S127 PolarHBondContact O-OG 3.49Å; T124-S127 PolarHBondContact O-N 2.93Å; Q125-S127 VanDerWaalsContact C-N 3.3Å; Q125-S127 PolarHBondContact O-N 2.95Å
128	A	97.4	Very high	98	Very high	90 Å²	90	53.9 Å²	53.9	74%	0.744	30%	0.303	S	S	*	.	H	α-helix	trans	-71.3	-37.6	176.4	0	0	0	0	0	112.7	T124 Q125 I126	T124-A128 WeakPolarHBondContact O-CB 3.29Å; T124-A128 PolarHBondContact O-N 2.92Å; Q125-A128 PolarHBondContact O-N 3.26Å; I126-A128 PolarHBondContact O-N 3.49Å
129	L	97	Very high	98	Very high	51 Å²	51	53.9 Å²	53.9	27%	0.267	30%	0.303	S	S	.	.	H	α-helix	trans	-89.5	-44.6	-172.4	-175.9	64.5	0	0	0	113.7	Q80 Q82 F87 Q125 I126	Q80-L129 HydrophobicContact CB-CD1 4.1Å; Q80-L129 HydrophobicContact CB-CD2 4.14Å; Q80-L129 HydrophobicContact CG-CD2 4.38Å; Q82-L129 PolarHBondContact NE2-O 2.94Å; F87-L129 HydrophobicContact CE1-CD2 3.55Å; F87-L129 HydrophobicContact CZ-CD2 3.81Å; Q125-L129 WeakPolarHBondContact O-CB 3.49Å; Q125-L129 PolarHBondContact O-N 3.3Å; Q125-L129 VanDerWaalsContact O-N 3.07Å; I126-L129 PolarHBondContact O-N 3.42Å
130	L	97.9	Very high	98	Very high	3 Å²	3	52 Å²	52	2%	0.016	29%	0.293	C	S	.	.	S	Bend	trans	-103.8	132.5	-170.5	-55.8	-174.7	0	0	0	110.6	S85 F87 I126 F134 R206 W211	S85-L130 WeakPolarHBondContact OG-CD2 3.43Å; F87-L130 HydrophobicContact CE2-CD1 4.46Å; F87-L130 HydrophobicContact CZ-CD1 4.11Å; F87-L130 HydrophobicContact CZ-CG 4.41Å; I126-L130 HydrophobicContact CG2-CD1 4.38Å; I126-L130 PolarHBondContact O-N 3.45Å; L130-F134 HydrophobicContact CB-CB 4.31Å; L130-F134 HydrophobicContact CB-CD2 4.42Å; L130-F134 HydrophobicContact CB-CG 4.3Å; L130-F134 HydrophobicContact CD1-CD1 4.16Å; L130-F134 HydrophobicContact CD1-CE1 4.17Å; L130-F134 HydrophobicContact CD1-CG 4.37Å; L130-F134 HydrophobicContact CD1-CZ 4.38Å; L130-F134 HydrophobicContact CD2-CD2 3.93Å; L130-F134 HydrophobicContact CD2-CE2 3.79Å; L130-F134 HydrophobicContact CD2-CG 4.46Å; L130-F134 HydrophobicContact CD2-CZ 4.2Å; L130-R206 HydrophobicContact CB-CG 4.18Å; L130-R206 HydrophobicContact CD1-CG 4.32Å; L130-R206 VanDerWaalsContact O-CZ 3.23Å; L130-R206 PolarHBondContact O-NE 3.42Å; L130-R206 PolarHBondContact O-NH2 2.89Å; L130-W211 HydrophobicContact CD1-CH2 3.98Å; L130-W211 HydrophobicContact CD1-CZ2 3.87Å
131	R	97.4	Very high	98	Very high	183 Å²	183	49.9 Å²	49.9	69%	0.691	27%	0.274	S	S	*	.			trans	-69.5	152.4	175.4	-65.8	173.6	-179.5	168.8	-1.4	110.8	Q82 G133 F134 R206	Q82-R131 HydrophobicContact CG-CG 4.48Å; R131-G133 PolarHBondContact O-N 2.78Å; R131-G133 VanDerWaalsContact O-N 3.14Å; R131-F134 WeakPolarHBondContact O-CB 3.41Å; R131-F134 PolarHBondContact O-N 3.43Å; R131-R206 WeakPolarHBondContact O-CD 3.32Å; R131-R206 PolarHBondContact O-NE 2.75Å
132	T	95.9	Very high	97.9	Very high	121 Å²	121	47.4 Å²	47.4	74%	0.742	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-37.9	179.8	51.8	0	0	0	0	113.5	F134	T132-F134 VanDerWaalsContact C-N 3.31Å; T132-F134 PolarHBondContact O-N 2.83Å
133	G	95.9	Very high	97.9	Very high	50 Å²	50	52.2 Å²	52.2	52%	0.515	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	19.5	175.8	0	0	0	0	0	115.5	R131 R135	R131-G133 PolarHBondContact O-N 2.78Å; R131-G133 VanDerWaalsContact O-N 3.14Å; G133-R135 WeakPolarHBondContact O-CG 3.31Å; G133-R135 PolarHBondContact O-N 2.85Å
134	F	97.8	Very high	97.8	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.018	27%	0.273	C	S	.	.			trans	-56.6	131.8	-179.2	177.1	-99	0	0	0	112	Q82 L130 R131 T132 G136 L137 A138 R206 R208 G209	Q82-F134 WeakPolarHBondContact O-CD2 3.3Å; Q82-F134 WeakPolarHBondContact O-CE2 3.23Å; L130-F134 HydrophobicContact CB-CB 4.31Å; L130-F134 HydrophobicContact CB-CD2 4.42Å; L130-F134 HydrophobicContact CB-CG 4.3Å; L130-F134 HydrophobicContact CD1-CD1 4.16Å; L130-F134 HydrophobicContact CD1-CE1 4.17Å; L130-F134 HydrophobicContact CD1-CG 4.37Å; L130-F134 HydrophobicContact CD1-CZ 4.38Å; L130-F134 HydrophobicContact CD2-CD2 3.93Å; L130-F134 HydrophobicContact CD2-CE2 3.79Å; L130-F134 HydrophobicContact CD2-CG 4.46Å; L130-F134 HydrophobicContact CD2-CZ 4.2Å; R131-F134 WeakPolarHBondContact O-CB 3.41Å; R131-F134 PolarHBondContact O-N 3.43Å; T132-F134 VanDerWaalsContact C-N 3.31Å; T132-F134 PolarHBondContact O-N 2.83Å; F134-G136 VanDerWaalsContact CE1-C 3.46Å; F134-G136 WeakPolarHBondContact CE1-O 3.22Å; F134-G136 VanDerWaalsContact CZ-CA 3.42Å; F134-G136 WeakPolarHBondContact CZ-O 3.45Å; F134-L137 WeakPolarHBondContact CZ-O 3.18Å; F134-A138 HydrophobicContact CE1-CB 3.84Å; F134-A138 HydrophobicContact CZ-CB 4.28Å; F134-R206 HydrophobicContact CB-CB 4.46Å; F134-R206 HydrophobicContact CB-CG 4.39Å; F134-R206 HydrophobicContact CD1-CB 4.34Å; F134-R208 CarbonylContact O-C 3.55Å; F134-G209 PolarHBondContact O-N 3.29Å
135	R	96.8	Very high	97.8	Very high	161 Å²	161	46 Å²	46	61%	0.608	25%	0.247	S	C	*	.			trans	-128.1	4.8	178.9	-54	178.6	70.8	-175.3	0.2	112.9	G133 R208	G133-R135 WeakPolarHBondContact O-CG 3.31Å; G133-R135 PolarHBondContact O-N 2.85Å; R135-R208 WeakPolarHBondContact CA-O 3.25Å; R135-R208 HydrophobicContact CG-CB 3.89Å
136	G	97.6	Very high	97.8	Very high	7 Å²	7	45.3 Å²	45.3	7%	0.072	24%	0.242	C	C	.	.	S	Bend	trans	-78.3	-173.4	-178.2	0	0	0	0	0	112.6	N83 F134 L210	N83-G136 CarbonylContact O-C 3.49Å; N83-G136 WeakPolarHBondContact O-CA 3.46Å; F134-G136 VanDerWaalsContact CE1-C 3.46Å; F134-G136 WeakPolarHBondContact CE1-O 3.22Å; F134-G136 VanDerWaalsContact CZ-CA 3.42Å; F134-G136 WeakPolarHBondContact CZ-O 3.45Å; G136-L210 PolarHBondContact O-N 3.37Å
137	L	98.8	Very high	97.7	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.01	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	126.6	173.5	-77.8	66	0	0	0	109.8	V39 V48 N83 M84 S85 F134 V139 L210 Y257 L300 V335	V39-L137 HydrophobicContact CG1-CD1 3.95Å; V48-L137 HydrophobicContact CB-CD2 4.37Å; V48-L137 HydrophobicContact CG1-CD2 4.31Å; V48-L137 HydrophobicContact CG2-CD1 4.2Å; V48-L137 HydrophobicContact CG2-CD2 4.07Å; N83-L137 PolarHBondContact O-N 2.88Å; M84-L137 CarbonylContact C-O 3.51Å; M84-L137 HydrophobicContact SD-CB 3.27Å; M84-L137 WeakPolarHBondContact SD-CB 3.5Å; M84-L137 HydrophobicContact SD-CD2 3.86Å; M84-L137 HydrophobicContact SD-CG 4.23Å; S85-L137 PolarHBondContact N-O 3.1Å; F134-L137 WeakPolarHBondContact CZ-O 3.18Å; L137-V139 HydrophobicContact CB-CG2 4.43Å; L137-L210 HydrophobicContact CD1-CD1 4.03Å; L137-L210 HydrophobicContact CG-CD1 4.5Å; L137-Y257 HydrophobicContact CD2-CE1 3.78Å; L137-Y257 HydrophobicContact CG-CE1 4.06Å; L137-Y257 WeakPolarHBondContact CG-OH 3.49Å; L137-L300 HydrophobicContact CD1-CD2 4.29Å; L137-L300 HydrophobicContact CD2-CD2 3.93Å; L137-L300 HydrophobicContact CG-CD2 4.39Å; L137-V335 HydrophobicContact CD2-CG2 3.45Å; L137-V335 VanDerWaalsContact CD2-CG2 3.45Å
138	A	98.5	Very high	97.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	97.6	174.7	0	0	0	0	0	109	S85 F87 F134 L210 W211 G212	S85-A138 CarbonylContact O-C 3.52Å; S85-A138 WeakPolarHBondContact O-CA 3.18Å; F87-A138 HydrophobicContact CE2-CB 4.49Å; F134-A138 HydrophobicContact CE1-CB 3.84Å; F134-A138 HydrophobicContact CZ-CB 4.28Å; A138-L210 PolarHBondContact N-O 3.37Å; A138-W211 HydrophobicContact CB-CD2 3.46Å; A138-W211 VanDerWaalsContact CB-CD2 3.46Å; A138-W211 HydrophobicContact CB-CE3 3.51Å; A138-W211 HydrophobicContact CB-CG 4.08Å; A138-W211 HydrophobicContact CB-CH2 3.88Å; A138-W211 HydrophobicContact CB-CZ2 3.84Å; A138-W211 HydrophobicContact CB-CZ3 3.73Å; A138-W211 WeakPolarHBondContact O-CA 3.25Å; A138-G212 PolarHBondContact O-N 3.32Å
139	V	98.8	Very high	97.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125	-171.6	-175.1	0	0	0	0	109.9	M84 S85 I86 F87 L137 G212 Y257 Y302	M84-V139 HydrophobicContact CE-CB 4.16Å; M84-V139 HydrophobicContact CE-CG2 3.6Å; M84-V139 HydrophobicContact SD-CG2 4.25Å; S85-V139 PolarHBondContact O-N 3.06Å; I86-V139 CarbonylContact C-O 3.54Å; I86-V139 VanDerWaalsContact CA-O 3.25Å; I86-V139 WeakPolarHBondContact CA-O 3.43Å; I86-V139 HydrophobicContact CB-CB 4.38Å; I86-V139 HydrophobicContact CG1-CB 4.16Å; I86-V139 HydrophobicContact CG1-CG1 4.28Å; F87-V139 PolarHBondContact N-O 3.05Å; L137-V139 HydrophobicContact CB-CG2 4.43Å; V139-G212 WeakPolarHBondContact CA-O 3.4Å; V139-Y257 HydrophobicContact CG1-CD2 4.24Å; V139-Y257 HydrophobicContact CG1-CG 4.37Å; V139-Y257 HydrophobicContact CG2-CD1 4.02Å; V139-Y257 HydrophobicContact CG2-CD2 3.96Å; V139-Y257 HydrophobicContact CG2-CE1 3.79Å; V139-Y257 HydrophobicContact CG2-CE2 3.71Å; V139-Y257 HydrophobicContact CG2-CG 4.11Å; V139-Y302 HydrophobicContact CG1-CE2 3.94Å; V139-Y302 WeakPolarHBondContact CG1-OH 3.26Å; V139-Y302 HydrophobicContact CG2-CE2 4.07Å
140	I	98.9	Very high	97.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	118.7	173.9	-52.3	172.4	0	0	0	107.8	L92 W142 T198 L199 W211 G212 F213 Y214	L92-I140 HydrophobicContact CD2-CD1 3.87Å; L92-I140 HydrophobicContact CD2-CG1 3.81Å; L92-I140 HydrophobicContact CD2-CG2 4.26Å; I140-W142 HydrophobicContact CG2-CD2 3.71Å; I140-W142 HydrophobicContact CG2-CE3 4.4Å; I140-W142 HydrophobicContact CG2-CG 3.75Å; I140-W142 HydrophobicContact CG2-CZ2 4.17Å; I140-T198 HydrophobicContact CD1-CG2 3.94Å; I140-L199 HydrophobicContact CD1-CD2 3.97Å; I140-L199 HydrophobicContact CD1-CG 4.42Å; I140-W211 HydrophobicContact CD1-CE3 4.36Å; I140-W211 HydrophobicContact CD1-CZ3 4.5Å; I140-W211 HydrophobicContact CG1-CE3 4.46Å; I140-W211 HydrophobicContact CG1-CZ3 4.48Å; I140-G212 PolarHBondContact N-O 3.32Å; I140-F213 HydrophobicContact CB-CD1 3.72Å; I140-F213 HydrophobicContact CB-CE1 3.68Å; I140-F213 HydrophobicContact CB-CG 4.35Å; I140-F213 HydrophobicContact CB-CZ 4.3Å; I140-F213 HydrophobicContact CD1-CE1 4.28Å; I140-F213 HydrophobicContact CD1-CE2 4.41Å; I140-F213 HydrophobicContact CD1-CZ 4.04Å; I140-F213 HydrophobicContact CG2-CD1 3.78Å; I140-F213 HydrophobicContact CG2-CE1 3.35Å; I140-F213 HydrophobicContact CG2-CZ 4.13Å; I140-F213 CarbonylContact O-C 3.46Å; I140-F213 VanDerWaalsContact O-CA 3.3Å; I140-F213 WeakPolarHBondContact O-CA 3.44Å; I140-F213 WeakPolarHBondContact O-CD1 3.43Å; I140-Y214 PolarHBondContact O-N 2.81Å
141	D	98.6	Very high	97.5	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.053	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	78.3	-176.5	-167.6	6.6	0	0	0	110.7	I86 F87 Y88 H89 E143 Y214	I86-D141 HydrophobicContact CD1-CB 3.83Å; I86-D141 HydrophobicContact CG1-CB 3.84Å; F87-D141 PolarHBondContact O-N 3.27Å; Y88-D141 HydrophobicContact CD1-CB 3.88Å; Y88-D141 WeakPolarHBondContact CD1-OD2 3.44Å; Y88-D141 HydrophobicContact CE1-CB 4.3Å; Y88-D141 WeakPolarHBondContact CE1-OD2 3.26Å; H89-D141 PolarHBondContact N-O 3.27Å; D141-E143 WeakPolarHBondContact OD1-CG 3.31Å; D141-Y214 WeakPolarHBondContact OD1-CD1 3.21Å
142	W	98.3	Very high	97.4	Very high	11 Å²	11	31 Å²	31	4%	0.042	16%	0.164	C	C	.	.			trans	-108.6	98.1	178.2	-72.1	-0.2	0	0	0	109.3	Y95 H118 I140 M195 T198 F213	Y95-W142 HydrophobicContact CD1-CD2 4.43Å; Y95-W142 HydrophobicContact CD1-CG 4.32Å; Y95-W142 AromaticContact CD2-CD2 3.28Å; Y95-W142 HydrophobicContact CD2-CD2 3.28Å; Y95-W142 AromaticContact CD2-CE2 3.58Å; Y95-W142 AromaticContact CD2-CE3 3.26Å; Y95-W142 HydrophobicContact CD2-CE3 3.26Å; Y95-W142 AromaticContact CD2-CG 3.93Å; Y95-W142 HydrophobicContact CD2-CG 3.93Å; Y95-W142 AromaticContact CD2-CH2 3.87Å; Y95-W142 HydrophobicContact CD2-CH2 3.87Å; Y95-W142 AromaticContact CD2-CZ2 3.88Å; Y95-W142 HydrophobicContact CD2-CZ2 3.88Å; Y95-W142 AromaticContact CD2-CZ3 3.56Å; Y95-W142 HydrophobicContact CD2-CZ3 3.56Å; Y95-W142 HydrophobicContact CE1-CB 4.27Å; Y95-W142 HydrophobicContact CE1-CG 4.17Å; Y95-W142 HydrophobicContact CE2-CB 3.97Å; Y95-W142 AromaticContact CE2-CD2 3.4Å; Y95-W142 HydrophobicContact CE2-CD2 3.4Å; Y95-W142 AromaticContact CE2-CE3 3.22Å; Y95-W142 HydrophobicContact CE2-CE3 3.22Å; Y95-W142 AromaticContact CE2-CG 3.76Å; Y95-W142 HydrophobicContact CE2-CG 3.76Å; Y95-W142 AromaticContact CE2-CZ3 3.9Å; Y95-W142 HydrophobicContact CE2-CZ3 3.9Å; Y95-W142 AromaticContact CG-CD2 3.84Å; Y95-W142 HydrophobicContact CG-CD2 3.84Å; Y95-W142 AromaticContact CG-CE2 3.78Å; Y95-W142 HydrophobicContact CG-CE3 4.25Å; Y95-W142 HydrophobicContact CG-CG 4.2Å; Y95-W142 HydrophobicContact CG-CZ2 4.17Å; Y95-W142 AromaticContact CZ-CG 3.9Å; H118-W142 AromaticContact CE1-CH2 3.4Å; H118-W142 WeakPolarHBondContact CE1-CH2 3.44Å; H118-W142 AromaticContact CE1-CZ2 3.59Å; H118-W142 AromaticContact NE2-CH2 3.59Å; I140-W142 HydrophobicContact CG2-CD2 3.71Å; I140-W142 HydrophobicContact CG2-CE3 4.4Å; I140-W142 HydrophobicContact CG2-CG 3.75Å; I140-W142 HydrophobicContact CG2-CZ2 4.17Å; W142-M195 HydrophobicContact CE3-CG 4.44Å; W142-M195 HydrophobicContact CZ3-CG 4.48Å; W142-T198 HydrophobicContact CH2-CG2 3.93Å; W142-T198 HydrophobicContact CZ2-CG2 4.3Å; W142-F213 HydrophobicContact CB-CD1 4.37Å; W142-F213 HydrophobicContact CB-CE1 4.18Å; W142-F213 AromaticContact CD2-CE1 3.86Å; W142-F213 HydrophobicContact CD2-CE1 3.86Å; W142-F213 AromaticContact CE3-CE1 3.53Å; W142-F213 HydrophobicContact CE3-CE1 3.53Å; W142-F213 AromaticContact CE3-CZ 3.99Å; W142-F213 HydrophobicContact CE3-CZ 3.99Å; W142-F213 HydrophobicContact CG-CE1 4.17Å; W142-F213 HydrophobicContact CZ3-CE1 4.15Å; W142-F213 HydrophobicContact CZ3-CZ 4.16Å
143	E	97.6	Very high	97.2	Very high	101 Å²	101	29.2 Å²	29.2	47%	0.472	15%	0.146	S	C	.	.			trans	-100.6	-6.6	-176.5	-58.7	-161.5	-107	0	0	113.1	D141 K156 Y214	D141-E143 WeakPolarHBondContact OD1-CG 3.31Å; E143-K156 WeakPolarHBondContact O-CE 3.43Å; E143-K156 PolarHBondContact O-NZ 3.43Å; E143-Y214 HydrophobicContact CG-CD1 4.19Å; E143-Y214 HydrophobicContact CG-CE1 4.24Å
144	E	97.4	Very high	97.1	Very high	55 Å²	55	29.2 Å²	29.2	26%	0.257	15%	0.146	S	C	.	.	S	Bend	trans	-70.1	-42	-163.7	-61.2	-54	152.8	0	0	113.9	H89 Y95 Y97 K156 Y159	H89-E144 HydrophobicContact CB-CG 4.42Å; Y95-E144 HydrophobicContact CE1-CB 3.81Å; Y95-E144 HydrophobicContact CE1-CG 3.81Å; Y97-E144 HydrophobicContact CD2-CG 4.38Å; Y97-E144 HydrophobicContact CG-CG 4.23Å; E144-K156 WeakPolarHBondContact O-CD 3.36Å; E144-K156 PolarHBondContact O-NZ 2.92Å; E144-Y159 WeakPolarHBondContact CB-OH 3.2Å; E144-Y159 WeakPolarHBondContact O-CE2 3.43Å
145	W	97.9	Very high	96.8	Very high	5 Å²	5	36.1 Å²	36.1	2%	0.019	18%	0.181	C	C	.	.			trans	-134.3	159.6	171.4	48	-99.8	0	0	0	111.1	Y95 P96 P110 Y159 F187 A191 F194 M195	Y95-W145 AromaticContact CD2-CZ2 3.96Å; Y95-W145 HydrophobicContact CD2-CZ2 3.96Å; Y95-W145 HydrophobicContact CE2-CD2 4.35Å; Y95-W145 AromaticContact CE2-CE2 3.4Å; Y95-W145 VanDerWaalsContact CE2-CE2 3.4Å; Y95-W145 AromaticContact CE2-CH2 3.88Å; Y95-W145 HydrophobicContact CE2-CH2 3.88Å; Y95-W145 AromaticContact CE2-CZ2 3.15Å; Y95-W145 HydrophobicContact CE2-CZ2 3.15Å; Y95-W145 AromaticContact CE2-NE1 3.58Å; Y95-W145 AromaticContact CZ-CE2 3.59Å; Y95-W145 AromaticContact CZ-CZ2 3.87Å; Y95-W145 AromaticContact CZ-NE1 3.4Å; Y95-W145 VanDerWaalsContact OH-CE2 3.29Å; Y95-W145 PolarHBondContact OH-N 2.9Å; Y95-W145 PolarHBondContact OH-NE1 2.04Å; P96-W145 HydrophobicContact CG-CZ2 4.28Å; P96-W145 PolarHBondContact O-NE1 3.21Å; P110-W145 HydrophobicContact CB-CH2 4.2Å; P110-W145 HydrophobicContact CB-CZ2 3.85Å; P110-W145 HydrophobicContact CG-CD2 4.5Å; P110-W145 HydrophobicContact CG-CH2 4.45Å; P110-W145 HydrophobicContact CG-CZ2 4.17Å; W145-Y159 HydrophobicContact CB-CD1 4.05Å; W145-Y159 HydrophobicContact CB-CD2 3.98Å; W145-Y159 HydrophobicContact CB-CE1 4.18Å; W145-Y159 HydrophobicContact CB-CE2 4.15Å; W145-Y159 HydrophobicContact CB-CG 3.96Å; W145-Y159 AromaticContact CD1-CD1 3.88Å; W145-Y159 AromaticContact CD1-CE1 3.51Å; W145-Y159 AromaticContact CD1-CZ 3.98Å; W145-Y159 HydrophobicContact CG-CD1 4.28Å; W145-Y159 HydrophobicContact CG-CE1 4.23Å; W145-F187 HydrophobicContact CB-CE2 4.48Å; W145-F187 HydrophobicContact CB-CZ 4.03Å; W145-F187 HydrophobicContact CG-CZ 4.36Å; W145-A191 HydrophobicContact CE3-CB 4.05Å; W145-A191 HydrophobicContact CH2-CB 4.06Å; W145-A191 HydrophobicContact CZ3-CB 3.52Å; W145-F194 HydrophobicContact CH2-CB 4.26Å; W145-M195 HydrophobicContact CH2-CG 4Å; W145-M195 HydrophobicContact CH2-SD 4.45Å; W145-M195 HydrophobicContact CZ3-CG 4Å; W145-M195 HydrophobicContact CZ3-SD 3.84Å
146	R	97.8	Very high	96.8	Very high	40 Å²	40	29.6 Å²	29.6	15%	0.151	16%	0.157	C	C	.	.			trans	-107.7	145.7	176.5	-65.2	177.1	177.9	108.1	2	110.3	L148 R151 D152 K156 F187 E218	R146-L148 PolarHBondContact O-N 3.09Å; R146-R151 HydrophobicContact CB-CB 4.01Å; R146-R151 WeakPolarHBondContact CD-O 3.04Å; R146-R151 HydrophobicContact CG-CB 4.46Å; R146-R151 PolarHBondContact NH1-O 2.93Å; R146-D152 WeakPolarHBondContact CB-OD1 3.2Å; R146-D152 PolarHBondContact N-OD1 3.25Å; R146-K156 HydrophobicContact CG-CD 4.42Å; R146-F187 WeakPolarHBondContact O-CE1 3.27Å; R146-E218 WeakPolarHBondContact CD-OE1 3.33Å; R146-E218 IonicContact CZ-OE1 3.73Å; R146-E218 IonicContact CZ-OE2 3.22Å; R146-E218 IonicContact NE-OE1 2.79Å; R146-E218 PolarHBondContact NE-OE1 3.24Å; R146-E218 IonicContact NE-OE2 3.71Å; R146-E218 PolarHBondContact NE-OE2 3.49Å; R146-E218 IonicContact NH2-OE1 2.59Å; R146-E218 IonicContact NH2-OE2 3.99Å; R146-E218 PolarHBondContact NH2-OE2 3.42Å; R146-E218 VanDerWaalsContact NH2-OE2 3.13Å
147	P	97.9	Very high	96.8	Very high	4 Å²	4	32 Å²	32	3%	0.026	17%	0.168	C	C	.	.	S	Bend	trans	-68.2	-10.8	-173.5	25	-34.6	0	0	0	115.3	A191 M195 F216 L246 W248	P147-A191 HydrophobicContact CB-CB 4.17Å; P147-M195 HydrophobicContact CB-SD 3.67Å; P147-M195 HydrophobicContact CG-CE 4.29Å; P147-M195 HydrophobicContact CG-SD 3.65Å; P147-F216 HydrophobicContact CG-CE1 4.13Å; P147-F216 HydrophobicContact CG-CZ 4.25Å; P147-L246 HydrophobicContact CB-CD2 4.13Å; P147-L246 HydrophobicContact CG-CD1 4.27Å; P147-L246 HydrophobicContact CG-CD2 3.76Å; P147-W248 HydrophobicContact CB-CH2 4.06Å; P147-W248 HydrophobicContact CB-CZ2 3.83Å; P147-W248 HydrophobicContact CG-CZ2 4.36Å
148	L	98.1	Very high	96.7	Very high	8 Å²	8	36 Å²	36	4%	0.042	19%	0.187	C	C	.	.	S	Bend	trans	-107.2	121.8	173.3	-60.1	-178.5	0	0	0	109.3	R146 V150 R151 K242 Q245 L246	R146-L148 PolarHBondContact O-N 3.09Å; L148-V150 HydrophobicContact CB-CG2 4.27Å; L148-V150 PolarHBondContact O-N 3.49Å; L148-R151 HydrophobicContact CB-CB 4.44Å; L148-R151 HydrophobicContact CB-CG 4.13Å; L148-R151 WeakPolarHBondContact O-CA 3.01Å; L148-R151 WeakPolarHBondContact O-CB 3.16Å; L148-R151 PolarHBondContact O-N 2.9Å; L148-K242 HydrophobicContact CD1-CB 3.84Å; L148-K242 HydrophobicContact CD1-CG 4.42Å; L148-K242 VanDerWaalsContact CD1-O 3.31Å; L148-K242 WeakPolarHBondContact CD1-O 3.03Å; L148-Q245 HydrophobicContact CD2-CB 4.37Å; L148-L246 HydrophobicContact CD1-CD1 4.3Å; L148-L246 HydrophobicContact CD1-CD2 4.35Å; L148-L246 HydrophobicContact CD1-CG 4.09Å; L148-L246 HydrophobicContact CD2-CD2 3.83Å; L148-L246 HydrophobicContact CD2-CG 4.39Å; L148-L246 HydrophobicContact CG-CD1 4.44Å; L148-L246 HydrophobicContact CG-CD2 3.88Å; L148-L246 HydrophobicContact CG-CG 4.16Å
149	W	98.1	Very high	96.7	Very high	8 Å²	8	36.3 Å²	36.3	3%	0.03	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-49.5	-37.9	179.2	175.9	-96.1	0	0	0	113.2	R151 D152 R160 K164 A183 R184 F187 E188	W149-R151 PolarHBondContact O-N 3.02Å; W149-D152 PolarHBondContact O-N 3.03Å; W149-R160 HydrophobicContact CD2-CG 3.82Å; W149-R160 VanDerWaalsContact CE2-NE 3.3Å; W149-R160 HydrophobicContact CE3-CB 4.44Å; W149-R160 HydrophobicContact CE3-CG 3.8Å; W149-R160 HydrophobicContact CH2-CB 3.61Å; W149-R160 HydrophobicContact CH2-CG 3.89Å; W149-R160 WeakPolarHBondContact CH2-O 3.39Å; W149-R160 HydrophobicContact CZ2-CB 3.77Å; W149-R160 HydrophobicContact CZ2-CG 3.9Å; W149-R160 HydrophobicContact CZ3-CB 3.98Å; W149-R160 HydrophobicContact CZ3-CG 3.84Å; W149-R160 WeakPolarHBondContact O-CD 3.43Å; W149-K164 HydrophobicContact CH2-CG 4.19Å; W149-K164 VanDerWaalsContact CZ2-CE 3.49Å; W149-A183 HydrophobicContact CH2-CB 4.02Å; W149-A183 HydrophobicContact CZ3-CB 4.44Å; W149-R184 HydrophobicContact CB-CB 4.48Å; W149-R184 HydrophobicContact CB-CG 3.78Å; W149-R184 HydrophobicContact CD2-CB 3.89Å; W149-R184 HydrophobicContact CD2-CG 4.16Å; W149-R184 HydrophobicContact CE3-CB 4.25Å; W149-R184 HydrophobicContact CG-CB 4Å; W149-R184 HydrophobicContact CG-CG 3.75Å; W149-F187 HydrophobicContact CE3-CB 3.94Å; W149-F187 AromaticContact CE3-CD1 3.9Å; W149-F187 HydrophobicContact CE3-CD1 3.9Å; W149-F187 AromaticContact CE3-CG 3.97Å; W149-F187 HydrophobicContact CE3-CG 3.97Å; W149-F187 HydrophobicContact CZ3-CB 4.04Å; W149-F187 HydrophobicContact CZ3-CG 4.26Å; W149-E188 HydrophobicContact CB-CG 3.89Å; W149-E188 WeakPolarHBondContact CB-OE1 3.05Å; W149-E188 PolarHBondContact N-OE1 3.26Å
150	V	96.1	Very high	96.7	Very high	60 Å²	60	39.3 Å²	39.3	36%	0.364	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-72.6	-12.5	-179.1	-61.4	0	0	0	0	113.7	L148 K242	L148-V150 HydrophobicContact CB-CG2 4.27Å; L148-V150 PolarHBondContact O-N 3.49Å; V150-K242 HydrophobicContact CG2-CD 4.19Å
151	R	94.3	Very high	96.7	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.015	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-98	-8.1	177.9	-65.3	-172.8	161.9	164	-4.9	113.1	R146 L148 W149 F153 F220 T239 K242 N243	R146-R151 HydrophobicContact CB-CB 4.01Å; R146-R151 WeakPolarHBondContact CD-O 3.04Å; R146-R151 HydrophobicContact CG-CB 4.46Å; R146-R151 PolarHBondContact NH1-O 2.93Å; L148-R151 HydrophobicContact CB-CB 4.44Å; L148-R151 HydrophobicContact CB-CG 4.13Å; L148-R151 WeakPolarHBondContact O-CA 3.01Å; L148-R151 WeakPolarHBondContact O-CB 3.16Å; L148-R151 PolarHBondContact O-N 2.9Å; W149-R151 PolarHBondContact O-N 3.02Å; R151-F153 VanDerWaalsContact C-N 3.3Å; R151-F153 WeakPolarHBondContact O-CD1 3.07Å; R151-F153 WeakPolarHBondContact O-CE1 3.43Å; R151-F153 PolarHBondContact O-N 2.91Å; R151-F220 HydrophobicContact CG-CZ 4.49Å; R151-T239 PolarHBondContact NH2-O 3.46Å; R151-K242 VanDerWaalsContact NH2-CB 3.29Å; R151-N243 VanDerWaalsContact CZ-OD1 3.24Å; R151-N243 PolarHBondContact NH1-OD1 3.49Å; R151-N243 PolarHBondContact NH2-OD1 2.9Å
152	D	94.4	Very high	96.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.227	C	C	.	.			trans	-83.6	76.9	171.6	-75.8	-21.8	0	0	0	111	R146 W149 K156 L157 R160 F187	R146-D152 WeakPolarHBondContact CB-OD1 3.2Å; R146-D152 PolarHBondContact N-OD1 3.25Å; W149-D152 PolarHBondContact O-N 3.03Å; D152-K156 HydrophobicContact CB-CB 3.81Å; D152-K156 WeakPolarHBondContact OD1-CD 3.16Å; D152-L157 WeakPolarHBondContact O-CD2 3.37Å; D152-R160 HydrophobicContact CB-CG 4.16Å; D152-R160 VanDerWaalsContact O-CD 3.23Å; D152-R160 WeakPolarHBondContact O-CD 2.99Å; D152-F187 WeakPolarHBondContact OD2-CE1 3.32Å; D152-F187 WeakPolarHBondContact OD2-CZ 3.37Å
153	F	92.3	Very high	96.7	Very high	84 Å²	84	46 Å²	46	37%	0.368	23%	0.225	S	C	.	.			trans	-110.1	173.7	172.2	55.6	-103.9	0	0	0	111.1	R151 K156 F220	R151-F153 VanDerWaalsContact C-N 3.3Å; R151-F153 WeakPolarHBondContact O-CD1 3.07Å; R151-F153 WeakPolarHBondContact O-CE1 3.43Å; R151-F153 PolarHBondContact O-N 2.91Å; F153-K156 PolarHBondContact O-N 3.34Å; F153-F220 HydrophobicContact CE1-CD1 4.41Å; F153-F220 AromaticContact CE1-CE1 3.97Å; F153-F220 HydrophobicContact CE1-CE1 3.97Å; F153-F220 AromaticContact CZ-CD1 3.93Å; F153-F220 HydrophobicContact CZ-CD1 3.93Å; F153-F220 AromaticContact CZ-CE1 3.61Å; F153-F220 HydrophobicContact CZ-CE1 3.61Å
154	G	92.8	Very high	96.8	Very high	50 Å²	50	43.7 Å²	43.7	52%	0.515	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	65.2	-134.9	-175.5	0	0	0	0	0	110.9	K156 L157	G154-K156 PolarHBondContact O-N 3.23Å; G154-K156 VanDerWaalsContact O-N 3.16Å; G154-L157 WeakPolarHBondContact O-CB 3.47Å; G154-L157 VanDerWaalsContact O-CG 3.3Å; G154-L157 WeakPolarHBondContact O-CG 3.46Å; G154-L157 PolarHBondContact O-N 3.41Å; G154-L157 VanDerWaalsContact O-N 3.13Å
155	I	92.8	Very high	96.8	Very high	149 Å²	149	48.4 Å²	48.4	76%	0.764	23%	0.233	S	C	*	.	G	3₁₀ helix	trans	-60.4	-24.4	178.3	63.4	172.9	0	0	0	112.9	L157 E158	I155-L157 PolarHBondContact O-N 3.4Å; I155-E158 PolarHBondContact O-N 2.91Å
156	K	96.4	Very high	96.8	Very high	23 Å²	23	50 Å²	50	10%	0.1	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-73.7	-5.6	179.6	-53.7	-168.6	-179.2	-46.4	0	113.8	E143 E144 R146 D152 F153 G154 E158 Y159	E143-K156 WeakPolarHBondContact O-CE 3.43Å; E143-K156 PolarHBondContact O-NZ 3.43Å; E144-K156 WeakPolarHBondContact O-CD 3.36Å; E144-K156 PolarHBondContact O-NZ 2.92Å; R146-K156 HydrophobicContact CG-CD 4.42Å; D152-K156 HydrophobicContact CB-CB 3.81Å; D152-K156 WeakPolarHBondContact OD1-CD 3.16Å; F153-K156 PolarHBondContact O-N 3.34Å; G154-K156 PolarHBondContact O-N 3.23Å; G154-K156 VanDerWaalsContact O-N 3.16Å; K156-E158 PolarHBondContact O-N 3.33Å; K156-E158 VanDerWaalsContact O-N 3.16Å; K156-Y159 HydrophobicContact CB-CD2 4.19Å; K156-Y159 WeakPolarHBondContact O-CD2 3.35Å; K156-Y159 PolarHBondContact O-N 2.97Å
157	L	96.9	Very high	96.9	Very high	57 Å²	57	48 Å²	48	30%	0.298	23%	0.234	S	C	.	.	H	α-helix	trans	-59.5	-23	172.6	-73.8	172.3	0	0	0	112.6	D152 G154 I155 Y159 R160 R161	D152-L157 WeakPolarHBondContact O-CD2 3.37Å; G154-L157 WeakPolarHBondContact O-CB 3.47Å; G154-L157 VanDerWaalsContact O-CG 3.3Å; G154-L157 WeakPolarHBondContact O-CG 3.46Å; G154-L157 PolarHBondContact O-N 3.41Å; G154-L157 VanDerWaalsContact O-N 3.13Å; I155-L157 PolarHBondContact O-N 3.4Å; L157-Y159 VanDerWaalsContact C-N 3.33Å; L157-Y159 PolarHBondContact O-N 2.79Å; L157-R160 WeakPolarHBondContact O-CB 3.47Å; L157-R160 PolarHBondContact O-N 2.77Å; L157-R160 VanDerWaalsContact O-N 3.16Å; L157-R161 WeakPolarHBondContact O-CG 3.47Å; L157-R161 PolarHBondContact O-N 3.25Å
158	E	97.3	Very high	96.9	Very high	86 Å²	86	53.7 Å²	53.7	40%	0.402	26%	0.255	S	S	.	.	H	α-helix	trans	-60.4	-39.1	176.4	-69.6	-55.6	151	0	0	113	I98 I155 K156 R160 R161 L162	I98-E158 HydrophobicContact CD1-CB 4.17Å; I155-E158 PolarHBondContact O-N 2.91Å; K156-E158 PolarHBondContact O-N 3.33Å; K156-E158 VanDerWaalsContact O-N 3.16Å; E158-R160 VanDerWaalsContact C-N 3.26Å; E158-R160 PolarHBondContact O-N 2.55Å; E158-R161 WeakPolarHBondContact O-CB 3.48Å; E158-R161 PolarHBondContact O-N 3.48Å; E158-R161 IonicContact OE1-CZ 3.8Å; E158-R161 IonicContact OE1-NH1 3.42Å; E158-R161 PolarHBondContact OE1-NH1 3.17Å; E158-R161 WeakPolarHBondContact OE2-CD 3.47Å; E158-R161 IonicContact OE2-NH1 3.05Å; E158-L162 PolarHBondContact O-N 2.84Å
159	Y	98.6	Very high	96.9	Very high	8 Å²	8	56.2 Å²	56.2	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-41.1	174.8	-64.1	-80.7	0	0	0	111.4	I98 G108 V109 E144 W145 K156 L157 R161 S163	I98-Y159 HydrophobicContact CB-CE1 4.16Å; I98-Y159 HydrophobicContact CD1-CD1 3.82Å; I98-Y159 HydrophobicContact CD1-CE1 3.81Å; I98-Y159 HydrophobicContact CD1-CG 4.26Å; I98-Y159 HydrophobicContact CG1-CD1 4.17Å; I98-Y159 HydrophobicContact CG1-CE1 3.68Å; I98-Y159 PolarHBondContact N-OH 2.84Å; G108-Y159 VanDerWaalsContact O-CE1 3.25Å; G108-Y159 WeakPolarHBondContact O-CE1 3.49Å; V109-Y159 HydrophobicContact CG1-CD1 3.91Å; E144-Y159 WeakPolarHBondContact CB-OH 3.2Å; E144-Y159 WeakPolarHBondContact O-CE2 3.43Å; W145-Y159 HydrophobicContact CB-CD1 4.05Å; W145-Y159 HydrophobicContact CB-CD2 3.98Å; W145-Y159 HydrophobicContact CB-CE1 4.18Å; W145-Y159 HydrophobicContact CB-CE2 4.15Å; W145-Y159 HydrophobicContact CB-CG 3.96Å; W145-Y159 AromaticContact CD1-CD1 3.88Å; W145-Y159 AromaticContact CD1-CE1 3.51Å; W145-Y159 AromaticContact CD1-CZ 3.98Å; W145-Y159 HydrophobicContact CG-CD1 4.28Å; W145-Y159 HydrophobicContact CG-CE1 4.23Å; K156-Y159 HydrophobicContact CB-CD2 4.19Å; K156-Y159 WeakPolarHBondContact O-CD2 3.35Å; K156-Y159 PolarHBondContact O-N 2.97Å; L157-Y159 VanDerWaalsContact C-N 3.33Å; L157-Y159 PolarHBondContact O-N 2.79Å; Y159-R161 PolarHBondContact O-N 3.32Å; Y159-S163 WeakPolarHBondContact O-CB 3.46Å; Y159-S163 PolarHBondContact O-N 3.26Å; Y159-S163 PolarHBondContact O-OG 3.18Å
160	R	98.4	Very high	96.9	Very high	63 Å²	63	60.5 Å²	60.5	24%	0.238	30%	0.303	C	S	.	.	H	α-helix	trans	-68.9	-33.5	176.3	-61.8	175	59.1	-163	-3.4	112.5	W149 D152 L157 E158 K164	W149-R160 HydrophobicContact CD2-CG 3.82Å; W149-R160 VanDerWaalsContact CE2-NE 3.3Å; W149-R160 HydrophobicContact CE3-CB 4.44Å; W149-R160 HydrophobicContact CE3-CG 3.8Å; W149-R160 HydrophobicContact CH2-CB 3.61Å; W149-R160 HydrophobicContact CH2-CG 3.89Å; W149-R160 WeakPolarHBondContact CH2-O 3.39Å; W149-R160 HydrophobicContact CZ2-CB 3.77Å; W149-R160 HydrophobicContact CZ2-CG 3.9Å; W149-R160 HydrophobicContact CZ3-CB 3.98Å; W149-R160 HydrophobicContact CZ3-CG 3.84Å; W149-R160 WeakPolarHBondContact O-CD 3.43Å; D152-R160 HydrophobicContact CB-CG 4.16Å; D152-R160 VanDerWaalsContact O-CD 3.23Å; D152-R160 WeakPolarHBondContact O-CD 2.99Å; L157-R160 WeakPolarHBondContact O-CB 3.47Å; L157-R160 PolarHBondContact O-N 2.77Å; L157-R160 VanDerWaalsContact O-N 3.16Å; E158-R160 VanDerWaalsContact C-N 3.26Å; E158-R160 PolarHBondContact O-N 2.55Å; R160-K164 VanDerWaalsContact O-CG 3.27Å; R160-K164 WeakPolarHBondContact O-CG 3.1Å; R160-K164 PolarHBondContact O-N 2.82Å
161	R	98.1	Very high	96.9	Very high	145 Å²	145	60.8 Å²	60.8	55%	0.547	30%	0.301	S	S	.	.	H	α-helix	trans	-69.4	-48.7	176.6	-71.8	171.4	179.9	161.7	1.3	110.6	L157 E158 Y159 K164 K165	L157-R161 WeakPolarHBondContact O-CG 3.47Å; L157-R161 PolarHBondContact O-N 3.25Å; E158-R161 WeakPolarHBondContact O-CB 3.48Å; E158-R161 PolarHBondContact O-N 3.48Å; E158-R161 IonicContact OE1-CZ 3.8Å; E158-R161 IonicContact OE1-NH1 3.42Å; E158-R161 PolarHBondContact OE1-NH1 3.17Å; E158-R161 WeakPolarHBondContact OE2-CD 3.47Å; E158-R161 IonicContact OE2-NH1 3.05Å; Y159-R161 PolarHBondContact O-N 3.32Å; R161-K164 PolarHBondContact O-N 3.33Å; R161-K165 PolarHBondContact O-N 2.8Å
162	L	98.5	Very high	97	Very high	17 Å²	17	65.6 Å²	65.6	9%	0.089	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-48.5	178.1	-179.7	54.7	0	0	0	111.2	I98 Q104 V109 E158 K164 K165 L166	I98-L162 HydrophobicContact CD1-CB 4.44Å; I98-L162 HydrophobicContact CD1-CD2 3.92Å; I98-L162 HydrophobicContact CG1-CD2 4.35Å; Q104-L162 HydrophobicContact CG-CD2 3.79Å; V109-L162 HydrophobicContact CG1-CB 4.21Å; V109-L162 HydrophobicContact CG1-CD2 3.89Å; V109-L162 HydrophobicContact CG1-CG 4.11Å; V109-L162 HydrophobicContact CG2-CD2 4.31Å; V109-L162 HydrophobicContact CG2-CG 4.41Å; E158-L162 PolarHBondContact O-N 2.84Å; L162-K164 VanDerWaalsContact C-N 3.3Å; L162-K164 PolarHBondContact O-N 3.08Å; L162-K165 WeakPolarHBondContact O-CB 3.48Å; L162-K165 PolarHBondContact O-N 2.95Å; L162-L166 HydrophobicContact CD1-CD1 4.29Å; L162-L166 HydrophobicContact CD1-CG 4.16Å; L162-L166 HydrophobicContact CG-CD1 4.13Å; L162-L166 HydrophobicContact CG-CG 4.49Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 3.3Å
163	S	98.8	Very high	97.2	Very high	0 Å²	0	71.9 Å²	71.9	0%	0	36%	0.362	C	S	.	.	H	α-helix	trans	-55.4	-42.4	176.9	-62.1	0	0	0	0	112.7	Q111 Y159 V167	Q111-S163 VanDerWaalsContact NE2-CB 3.29Å; Q111-S163 PolarHBondContact NE2-OG 3.33Å; Y159-S163 WeakPolarHBondContact O-CB 3.46Å; Y159-S163 PolarHBondContact O-N 3.26Å; Y159-S163 PolarHBondContact O-OG 3.18Å; S163-V167 WeakPolarHBondContact O-CG2 3.36Å; S163-V167 PolarHBondContact O-N 3.14Å
164	K	98.8	Very high	97.5	Very high	52 Å²	52	70.1 Å²	70.1	23%	0.226	36%	0.356	C	S	.	.	H	α-helix	trans	-69	-35.6	175.5	-70.7	174.6	-171.1	-166.6	0	113.2	W149 R160 R161 L162 L166 R168 V179 N180 A183	W149-K164 HydrophobicContact CH2-CG 4.19Å; W149-K164 VanDerWaalsContact CZ2-CE 3.49Å; R160-K164 VanDerWaalsContact O-CG 3.27Å; R160-K164 WeakPolarHBondContact O-CG 3.1Å; R160-K164 PolarHBondContact O-N 2.82Å; R161-K164 PolarHBondContact O-N 3.33Å; L162-K164 VanDerWaalsContact C-N 3.3Å; L162-K164 PolarHBondContact O-N 3.08Å; K164-L166 VanDerWaalsContact C-N 3.34Å; K164-R168 WeakPolarHBondContact O-CG 3.35Å; K164-R168 PolarHBondContact O-N 3.18Å; K164-V179 HydrophobicContact CB-CG1 4.03Å; K164-V179 HydrophobicContact CG-CG1 4.24Å; K164-N180 WeakPolarHBondContact CE-OD1 3.06Å; K164-N180 PolarHBondContact NZ-OD1 3.15Å; K164-A183 HydrophobicContact CG-CB 3.92Å
165	K	98.4	Very high	97.8	Very high	153 Å²	153	71.4 Å²	71.4	67%	0.665	35%	0.354	S	S	*	.	H	α-helix	trans	-64.8	-42.3	178	-177.2	-177.8	176	-176.3	0	110.4	R161 L162 R168 G169	R161-K165 PolarHBondContact O-N 2.8Å; L162-K165 WeakPolarHBondContact O-CB 3.48Å; L162-K165 PolarHBondContact O-N 2.95Å; K165-R168 PolarHBondContact O-N 3.16Å; K165-G169 PolarHBondContact O-N 3.33Å
166	L	98.5	Very high	98	Very high	38 Å²	38	72.3 Å²	72.3	20%	0.199	35%	0.352	C	S	.	.	H	α-helix	trans	-60.6	-53.4	176.7	-68	166.8	0	0	0	111	V109 R112 L162 K164 R168 G169 E170	V109-L166 HydrophobicContact CG2-CD1 3.63Å; R112-L166 HydrophobicContact CG-CD1 3.56Å; L162-L166 HydrophobicContact CD1-CD1 4.29Å; L162-L166 HydrophobicContact CD1-CG 4.16Å; L162-L166 HydrophobicContact CG-CD1 4.13Å; L162-L166 HydrophobicContact CG-CG 4.49Å; L162-L166 WeakPolarHBondContact O-CG 3.46Å; L162-L166 PolarHBondContact O-N 3.3Å; K164-L166 VanDerWaalsContact C-N 3.34Å; L166-R168 VanDerWaalsContact C-N 3.29Å; L166-R168 PolarHBondContact O-N 3.13Å; L166-G169 PolarHBondContact O-N 2.85Å; L166-E170 PolarHBondContact O-N 2.9Å
167	V	98.7	Very high	98.1	Very high	0 Å²	0	78.8 Å²	78.8	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-57.6	-40.5	177.9	172.1	0	0	0	0	112.3	S163 G169 E170 H171 L174 V179 L182 A183 E186	S163-V167 WeakPolarHBondContact O-CG2 3.36Å; S163-V167 PolarHBondContact O-N 3.14Å; V167-G169 VanDerWaalsContact C-N 3.31Å; V167-G169 PolarHBondContact O-N 3.4Å; V167-E170 PolarHBondContact O-N 3.42Å; V167-H171 WeakPolarHBondContact O-CA 3.42Å; V167-H171 WeakPolarHBondContact O-CB 3.35Å; V167-H171 PolarHBondContact O-N 3.45Å; V167-L174 HydrophobicContact CG1-CD1 4.24Å; V167-V179 HydrophobicContact CB-CG1 4.32Å; V167-V179 HydrophobicContact CG1-CB 4.28Å; V167-V179 HydrophobicContact CG1-CG1 4.15Å; V167-V179 HydrophobicContact CG1-CG2 4.2Å; V167-L182 HydrophobicContact CG1-CB 4.18Å; V167-L182 HydrophobicContact CG1-CD2 3.82Å; V167-L182 HydrophobicContact CG1-CG 4.15Å; V167-L182 HydrophobicContact CG2-CG 4.2Å; V167-A183 HydrophobicContact CB-CB 4.5Å; V167-A183 HydrophobicContact CG2-CB 3.88Å; V167-E186 VanDerWaalsContact CG2-OE2 3.32Å; V167-E186 WeakPolarHBondContact CG2-OE2 2.91Å
168	R	98.3	Very high	98.2	Very high	123 Å²	123	80.5 Å²	80.5	46%	0.464	39%	0.39	S	S	.	.	H	α-helix	trans	-65.9	-32.4	175.9	-78	175.9	179.4	164.5	1.5	113.8	K164 K165 L166 V179	K164-R168 WeakPolarHBondContact O-CG 3.35Å; K164-R168 PolarHBondContact O-N 3.18Å; K165-R168 PolarHBondContact O-N 3.16Å; L166-R168 VanDerWaalsContact C-N 3.29Å; L166-R168 PolarHBondContact O-N 3.13Å; R168-V179 HydrophobicContact CG-CB 4.38Å; R168-V179 HydrophobicContact CG-CG1 3.73Å; R168-V179 HydrophobicContact CG-CG2 3.73Å
169	G	98	Very high	98.2	Very high	61 Å²	61	76.5 Å²	76.5	63%	0.629	37%	0.371	S	S	*	.	H	α-helix	trans	-70.5	-39	177.6	0	0	0	0	0	111.7	K165 L166 V167	K165-G169 PolarHBondContact O-N 3.33Å; L166-G169 PolarHBondContact O-N 2.85Å; V167-G169 VanDerWaalsContact C-N 3.31Å; V167-G169 PolarHBondContact O-N 3.4Å
170	E	97.8	Very high	98.2	Very high	97 Å²	97	79 Å²	79	45%	0.453	39%	0.385	S	S	.	.	H	α-helix	trans	-81.9	-30.7	-180	-66.3	177.1	-174.5	0	0	112.7	R112 L166 V167	R112-E170 IonicContact NH1-OE1 2.81Å; R112-E170 PolarHBondContact NH1-OE1 2.83Å; L166-E170 PolarHBondContact O-N 2.9Å; V167-E170 PolarHBondContact O-N 3.42Å
171	H	97.2	Very high	98.2	Very high	66 Å²	66	79.7 Å²	79.7	31%	0.306	40%	0.4	S	S	.	.			trans	-131.1	73.9	-176.9	-62	-72.8	0	0	0	112.5	V167 E173 L174	V167-H171 WeakPolarHBondContact O-CA 3.42Å; V167-H171 WeakPolarHBondContact O-CB 3.35Å; V167-H171 PolarHBondContact O-N 3.45Å; H171-E173 VanDerWaalsContact CA-OE2 3.31Å; H171-E173 WeakPolarHBondContact CA-OE2 3.37Å; H171-E173 WeakPolarHBondContact CB-OE1 3.3Å; H171-E173 IonicContact CG-OE1 3.13Å; H171-E173 IonicContact ND1-OE1 2.65Å; H171-E173 PolarHBondContact ND1-OE1 2.94Å; H171-E173 PolarHBondContact O-N 3.44Å; H171-L174 HydrophobicContact CB-CB 4.46Å; H171-L174 HydrophobicContact CB-CD1 3.49Å; H171-L174 VanDerWaalsContact CB-CD1 3.49Å; H171-L174 HydrophobicContact CB-CG 3.74Å; H171-L174 PolarHBondContact O-N 3.33Å
172	P	96.9	Very high	98.3	Very high	106 Å²	106	75 Å²	75	69%	0.688	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-21.7	-179.1	-21.5	34.2	0	0	0	114.4
173	E	98.1	Very high	98.3	Very high	131 Å²	131	74.2 Å²	74.2	61%	0.612	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-22.3	-179	73	-72.3	172.8	0	0	113.9	H171	H171-E173 VanDerWaalsContact CA-OE2 3.31Å; H171-E173 WeakPolarHBondContact CA-OE2 3.37Å; H171-E173 WeakPolarHBondContact CB-OE1 3.3Å; H171-E173 IonicContact CG-OE1 3.13Å; H171-E173 IonicContact ND1-OE1 2.65Å; H171-E173 PolarHBondContact ND1-OE1 2.94Å; H171-E173 PolarHBondContact O-N 3.44Å
174	L	98.1	Very high	98.3	Very high	47 Å²	47	78.6 Å²	78.6	25%	0.246	40%	0.397	C	S	.	.	S	Bend	trans	-72.7	142.3	-173.9	-68.4	-179.7	0	0	0	112.5	V167 H171 E178 V179 L182	V167-L174 HydrophobicContact CG1-CD1 4.24Å; H171-L174 HydrophobicContact CB-CB 4.46Å; H171-L174 HydrophobicContact CB-CD1 3.49Å; H171-L174 VanDerWaalsContact CB-CD1 3.49Å; H171-L174 HydrophobicContact CB-CG 3.74Å; H171-L174 PolarHBondContact O-N 3.33Å; L174-E178 HydrophobicContact CB-CB 4.07Å; L174-E178 HydrophobicContact CD1-CB 4.47Å; L174-E178 HydrophobicContact CD2-CB 4.03Å; L174-E178 HydrophobicContact CG-CB 4.41Å; L174-V179 HydrophobicContact CB-CG2 3.85Å; L174-L182 HydrophobicContact CD1-CD2 3.98Å
175	T	98.3	Very high	98.3	Very high	77 Å²	77	82 Å²	82	47%	0.472	41%	0.412	S	S	.	.			trans	-66.4	162.2	171.2	67.4	0	0	0	0	111.4	Q177 E178 V179	T175-Q177 PolarHBondContact O-N 3.09Å; T175-Q177 VanDerWaalsContact O-N 3.14Å; T175-E178 VanDerWaalsContact CB-OE2 3.26Å; T175-E178 WeakPolarHBondContact CB-OE2 3.41Å; T175-E178 VanDerWaalsContact CG2-OE2 3.29Å; T175-E178 WeakPolarHBondContact CG2-OE2 2.98Å; T175-E178 PolarHBondContact N-OE2 2.82Å; T175-E178 PolarHBondContact O-N 3.47Å; T175-E178 VanDerWaalsContact OG1-CD 3.3Å; T175-E178 WeakPolarHBondContact OG1-CG 3.23Å; T175-E178 PolarHBondContact OG1-N 3.25Å; T175-E178 PolarHBondContact OG1-OE2 3.29Å; T175-V179 WeakPolarHBondContact O-CG2 3.42Å; T175-V179 PolarHBondContact O-N 3.45Å
176	K	97.8	Very high	98.3	Very high	168 Å²	168	76.9 Å²	76.9	73%	0.73	39%	0.391	S	S	*	.	H	α-helix	trans	-56.8	-32.8	176.9	-67	179.8	-177.1	172.1	0	113	N180	K176-N180 WeakPolarHBondContact O-CB 3.15Å; K176-N180 PolarHBondContact O-N 3.36Å
177	Q	98.2	Very high	98.3	Very high	159 Å²	159	75.1 Å²	75.1	74%	0.743	38%	0.381	S	S	*	.	H	α-helix	trans	-73.8	-43.3	179.7	-178.5	172.5	-14.9	0	0	111.3	T175 N180 S181	T175-Q177 PolarHBondContact O-N 3.09Å; T175-Q177 VanDerWaalsContact O-N 3.14Å; Q177-N180 PolarHBondContact O-N 2.74Å; Q177-S181 PolarHBondContact O-N 3.03Å
178	E	98.5	Very high	98.3	Very high	94 Å²	94	77 Å²	77	44%	0.439	39%	0.39	S	S	.	.	H	α-helix	trans	-63.9	-45.6	176.3	-70.5	162	139.9	0	0	111.3	L174 T175 N180 S181 L182	L174-E178 HydrophobicContact CB-CB 4.07Å; L174-E178 HydrophobicContact CD1-CB 4.47Å; L174-E178 HydrophobicContact CD2-CB 4.03Å; L174-E178 HydrophobicContact CG-CB 4.41Å; T175-E178 VanDerWaalsContact CB-OE2 3.26Å; T175-E178 WeakPolarHBondContact CB-OE2 3.41Å; T175-E178 VanDerWaalsContact CG2-OE2 3.29Å; T175-E178 WeakPolarHBondContact CG2-OE2 2.98Å; T175-E178 PolarHBondContact N-OE2 2.82Å; T175-E178 PolarHBondContact O-N 3.47Å; T175-E178 VanDerWaalsContact OG1-CD 3.3Å; T175-E178 WeakPolarHBondContact OG1-CG 3.23Å; T175-E178 PolarHBondContact OG1-N 3.25Å; T175-E178 PolarHBondContact OG1-OE2 3.29Å; E178-N180 VanDerWaalsContact C-N 3.28Å; E178-N180 PolarHBondContact O-N 2.89Å; E178-S181 WeakPolarHBondContact O-CB 3.48Å; E178-S181 PolarHBondContact O-N 3.44Å; E178-S181 VanDerWaalsContact O-N 3.08Å; E178-L182 WeakPolarHBondContact O-CB 3.03Å; E178-L182 PolarHBondContact O-N 2.92Å
179	V	98.8	Very high	98.3	Very high	2 Å²	2	78.1 Å²	78.1	1%	0.012	39%	0.394	C	S	.	.	H	α-helix	trans	-53.3	-46.8	172.4	167.6	0	0	0	0	111.1	K164 V167 R168 L174 T175 S181 A183	K164-V179 HydrophobicContact CB-CG1 4.03Å; K164-V179 HydrophobicContact CG-CG1 4.24Å; V167-V179 HydrophobicContact CB-CG1 4.32Å; V167-V179 HydrophobicContact CG1-CB 4.28Å; V167-V179 HydrophobicContact CG1-CG1 4.15Å; V167-V179 HydrophobicContact CG1-CG2 4.2Å; R168-V179 HydrophobicContact CG-CB 4.38Å; R168-V179 HydrophobicContact CG-CG1 3.73Å; R168-V179 HydrophobicContact CG-CG2 3.73Å; L174-V179 HydrophobicContact CB-CG2 3.85Å; T175-V179 WeakPolarHBondContact O-CG2 3.42Å; T175-V179 PolarHBondContact O-N 3.45Å; V179-S181 VanDerWaalsContact C-N 3.33Å; V179-S181 PolarHBondContact O-N 3.05Å; V179-A183 WeakPolarHBondContact O-CB 3.41Å; V179-A183 PolarHBondContact O-N 3.45Å
180	N	98.4	Very high	98.4	Very high	59 Å²	59	75.5 Å²	75.5	32%	0.316	37%	0.368	S	S	.	.	H	α-helix	trans	-67.3	-35.2	-179.3	179.6	65.5	0	0	0	112.3	K164 K176 Q177 E178 R184	K164-N180 WeakPolarHBondContact CE-OD1 3.06Å; K164-N180 PolarHBondContact NZ-OD1 3.15Å; K176-N180 WeakPolarHBondContact O-CB 3.15Å; K176-N180 PolarHBondContact O-N 3.36Å; Q177-N180 PolarHBondContact O-N 2.74Å; E178-N180 VanDerWaalsContact C-N 3.28Å; E178-N180 PolarHBondContact O-N 2.89Å; N180-R184 WeakPolarHBondContact O-CB 3.47Å; N180-R184 PolarHBondContact O-N 2.83Å
181	S	98.6	Very high	98.4	Very high	79 Å²	79	70.9 Å²	70.9	55%	0.552	35%	0.346	S	S	*	.	H	α-helix	trans	-68.8	-48.8	176.8	-169.6	0	0	0	0	111.5	Q177 E178 V179 R184 K185	Q177-S181 PolarHBondContact O-N 3.03Å; E178-S181 WeakPolarHBondContact O-CB 3.48Å; E178-S181 PolarHBondContact O-N 3.44Å; E178-S181 VanDerWaalsContact O-N 3.08Å; V179-S181 VanDerWaalsContact C-N 3.33Å; V179-S181 PolarHBondContact O-N 3.05Å; S181-R184 PolarHBondContact O-N 3.49Å; S181-K185 PolarHBondContact O-N 3.07Å
182	L	98.7	Very high	98.5	Very high	46 Å²	46	73.6 Å²	73.6	24%	0.241	35%	0.354	C	S	.	.	H	α-helix	trans	-66.6	-46.9	-179.5	-177.8	56	0	0	0	111.6	V167 L174 E178 R184 K185 E186	V167-L182 HydrophobicContact CG1-CB 4.18Å; V167-L182 HydrophobicContact CG1-CD2 3.82Å; V167-L182 HydrophobicContact CG1-CG 4.15Å; V167-L182 HydrophobicContact CG2-CG 4.2Å; L174-L182 HydrophobicContact CD1-CD2 3.98Å; E178-L182 WeakPolarHBondContact O-CB 3.03Å; E178-L182 PolarHBondContact O-N 2.92Å; L182-R184 VanDerWaalsContact C-N 3.25Å; L182-R184 PolarHBondContact O-N 3.33Å; L182-K185 WeakPolarHBondContact O-CB 3.37Å; L182-K185 PolarHBondContact O-N 3.42Å; L182-E186 HydrophobicContact CD1-CG 4.06Å; L182-E186 WeakPolarHBondContact CD1-OE1 3.39Å; L182-E186 HydrophobicContact CG-CG 4.45Å; L182-E186 WeakPolarHBondContact CG-OE1 3.38Å; L182-E186 WeakPolarHBondContact O-CG 3.09Å; L182-E186 PolarHBondContact O-N 2.77Å
183	A	98.8	Very high	98.6	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59.3	-37	177.3	0	0	0	0	0	112.5	W149 K164 V167 V179 F187	W149-A183 HydrophobicContact CH2-CB 4.02Å; W149-A183 HydrophobicContact CZ3-CB 4.44Å; K164-A183 HydrophobicContact CG-CB 3.92Å; V167-A183 HydrophobicContact CB-CB 4.5Å; V167-A183 HydrophobicContact CG2-CB 3.88Å; V179-A183 WeakPolarHBondContact O-CB 3.41Å; V179-A183 PolarHBondContact O-N 3.45Å; A183-F187 WeakPolarHBondContact O-CB 3.44Å; A183-F187 PolarHBondContact O-N 2.85Å; A183-F187 VanDerWaalsContact O-N 3.09Å
184	R	98.8	Very high	98.6	Very high	93 Å²	93	65.5 Å²	65.5	35%	0.351	31%	0.308	S	S	.	.	H	α-helix	trans	-63.9	-49.8	172.8	170.4	176.8	178.8	-171	-0.5	111	W149 N180 S181 L182 E186 F187 E188	W149-R184 HydrophobicContact CB-CB 4.48Å; W149-R184 HydrophobicContact CB-CG 3.78Å; W149-R184 HydrophobicContact CD2-CB 3.89Å; W149-R184 HydrophobicContact CD2-CG 4.16Å; W149-R184 HydrophobicContact CE3-CB 4.25Å; W149-R184 HydrophobicContact CG-CB 4Å; W149-R184 HydrophobicContact CG-CG 3.75Å; N180-R184 WeakPolarHBondContact O-CB 3.47Å; N180-R184 PolarHBondContact O-N 2.83Å; S181-R184 PolarHBondContact O-N 3.49Å; L182-R184 VanDerWaalsContact C-N 3.25Å; L182-R184 PolarHBondContact O-N 3.33Å; R184-E186 PolarHBondContact O-N 2.81Å; R184-F187 PolarHBondContact O-N 3.28Å; R184-E188 HydrophobicContact CG-CG 4.32Å; R184-E188 IonicContact CZ-OE2 3.54Å; R184-E188 IonicContact NE-OE1 3.58Å; R184-E188 IonicContact NE-OE2 2.7Å; R184-E188 PolarHBondContact NE-OE2 2.83Å; R184-E188 IonicContact NH2-OE1 3.24Å; R184-E188 IonicContact NH2-OE2 2.84Å; R184-E188 PolarHBondContact NH2-OE2 2.69Å; R184-E188 WeakPolarHBondContact O-CB 3.18Å; R184-E188 WeakPolarHBondContact O-CG 3.37Å; R184-E188 PolarHBondContact O-N 2.89Å
185	K	98.8	Very high	98.7	Very high	122 Å²	122	63.5 Å²	63.5	53%	0.53	30%	0.298	S	S	.	.	H	α-helix	trans	-60.1	-45.6	-177.1	-178.9	-176.8	176.3	-175.4	0	111.6	S181 L182 R189	S181-K185 PolarHBondContact O-N 3.07Å; L182-K185 WeakPolarHBondContact O-CB 3.37Å; L182-K185 PolarHBondContact O-N 3.42Å; K185-R189 VanDerWaalsContact O-CB 3.26Å; K185-R189 WeakPolarHBondContact O-CB 3.42Å; K185-R189 PolarHBondContact O-N 2.87Å
186	E	98.8	Very high	98.7	Very high	47 Å²	47	60.3 Å²	60.3	22%	0.22	28%	0.279	C	S	.	.	H	α-helix	trans	-66.4	-46.7	178.8	-70.3	173.2	179.3	0	0	111.6	Q111 V167 L182 R184 R189 G190	Q111-E186 HydrophobicContact CB-CB 4.06Å; Q111-E186 HydrophobicContact CG-CB 4Å; V167-E186 VanDerWaalsContact CG2-OE2 3.32Å; V167-E186 WeakPolarHBondContact CG2-OE2 2.91Å; L182-E186 HydrophobicContact CD1-CG 4.06Å; L182-E186 WeakPolarHBondContact CD1-OE1 3.39Å; L182-E186 HydrophobicContact CG-CG 4.45Å; L182-E186 WeakPolarHBondContact CG-OE1 3.38Å; L182-E186 WeakPolarHBondContact O-CG 3.09Å; L182-E186 PolarHBondContact O-N 2.77Å; R184-E186 PolarHBondContact O-N 2.81Å; E186-R189 PolarHBondContact O-N 2.95Å; E186-G190 PolarHBondContact O-N 3.22Å
187	F	98.9	Very high	98.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-60.4	-50.9	178.2	177.2	-90.3	0	0	0	112.4	P110 W145 R146 W149 D152 A183 R184 R189 G190 A191	P110-F187 HydrophobicContact CG-CD2 3.82Å; P110-F187 HydrophobicContact CG-CE2 3.77Å; P110-F187 HydrophobicContact CG-CZ 4.41Å; W145-F187 HydrophobicContact CB-CE2 4.48Å; W145-F187 HydrophobicContact CB-CZ 4.03Å; W145-F187 HydrophobicContact CG-CZ 4.36Å; R146-F187 WeakPolarHBondContact O-CE1 3.27Å; W149-F187 HydrophobicContact CE3-CB 3.94Å; W149-F187 AromaticContact CE3-CD1 3.9Å; W149-F187 HydrophobicContact CE3-CD1 3.9Å; W149-F187 AromaticContact CE3-CG 3.97Å; W149-F187 HydrophobicContact CE3-CG 3.97Å; W149-F187 HydrophobicContact CZ3-CB 4.04Å; W149-F187 HydrophobicContact CZ3-CG 4.26Å; D152-F187 WeakPolarHBondContact OD2-CE1 3.32Å; D152-F187 WeakPolarHBondContact OD2-CZ 3.37Å; A183-F187 WeakPolarHBondContact O-CB 3.44Å; A183-F187 PolarHBondContact O-N 2.85Å; A183-F187 VanDerWaalsContact O-N 3.09Å; R184-F187 PolarHBondContact O-N 3.28Å; F187-R189 VanDerWaalsContact C-N 3.27Å; F187-R189 PolarHBondContact O-N 2.94Å; F187-G190 PolarHBondContact O-N 2.92Å; F187-A191 WeakPolarHBondContact O-CB 3.48Å; F187-A191 PolarHBondContact O-N 3.11Å
188	E	98.9	Very high	98.7	Very high	39 Å²	39	48.3 Å²	48.3	18%	0.182	23%	0.225	C	C	.	.	H	α-helix	trans	-66.3	-30.6	-179.4	-67.7	-175	151.2	0	0	111.6	W149 R184 R192	W149-E188 HydrophobicContact CB-CG 3.89Å; W149-E188 WeakPolarHBondContact CB-OE1 3.05Å; W149-E188 PolarHBondContact N-OE1 3.26Å; R184-E188 HydrophobicContact CG-CG 4.32Å; R184-E188 IonicContact CZ-OE2 3.54Å; R184-E188 IonicContact NE-OE1 3.58Å; R184-E188 IonicContact NE-OE2 2.7Å; R184-E188 PolarHBondContact NE-OE2 2.83Å; R184-E188 IonicContact NH2-OE1 3.24Å; R184-E188 IonicContact NH2-OE2 2.84Å; R184-E188 PolarHBondContact NH2-OE2 2.69Å; R184-E188 WeakPolarHBondContact O-CB 3.18Å; R184-E188 WeakPolarHBondContact O-CG 3.37Å; R184-E188 PolarHBondContact O-N 2.89Å; E188-R192 WeakPolarHBondContact O-CB 3.49Å; E188-R192 PolarHBondContact O-N 3.01Å; E188-R192 VanDerWaalsContact O-N 3.11Å
189	R	98.8	Very high	98.7	Very high	147 Å²	147	43.8 Å²	43.8	56%	0.555	20%	0.204	S	C	*	.	H	α-helix	trans	-65.9	-57.4	171.6	179	-175.7	-66.1	179.6	-7.2	111	K185 E186 F187 A191 R192 D193	K185-R189 VanDerWaalsContact O-CB 3.26Å; K185-R189 WeakPolarHBondContact O-CB 3.42Å; K185-R189 PolarHBondContact O-N 2.87Å; E186-R189 PolarHBondContact O-N 2.95Å; F187-R189 VanDerWaalsContact C-N 3.27Å; F187-R189 PolarHBondContact O-N 2.94Å; R189-A191 VanDerWaalsContact C-N 3.26Å; R189-A191 PolarHBondContact O-N 3.24Å; R189-R192 WeakPolarHBondContact O-CB 2.88Å; R189-R192 PolarHBondContact O-N 2.82Å; R189-R192 VanDerWaalsContact O-N 3.1Å; R189-D193 VanDerWaalsContact O-CG 3.24Å; R189-D193 PolarHBondContact O-N 2.8Å
190	G	98.8	Very high	98.7	Very high	7 Å²	7	47.4 Å²	47.4	7%	0.072	22%	0.221	C	C	.	.	H	α-helix	trans	-57.9	-41.6	180	0	0	0	0	0	111.7	E186 F187 R192 D193 F194	E186-G190 PolarHBondContact O-N 3.22Å; F187-G190 PolarHBondContact O-N 2.92Å; G190-R192 VanDerWaalsContact C-N 3.33Å; G190-R192 PolarHBondContact O-N 2.94Å; G190-D193 PolarHBondContact O-N 3.49Å; G190-F194 WeakPolarHBondContact O-CD2 3.3Å; G190-F194 PolarHBondContact O-N 2.92Å
191	A	98.8	Very high	98.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-61.5	-41.9	178.2	0	0	0	0	0	112.1	P110 W145 P147 F187 R189 M195	P110-A191 HydrophobicContact CB-CB 4.46Å; P110-A191 HydrophobicContact CG-CB 3.96Å; W145-A191 HydrophobicContact CE3-CB 4.05Å; W145-A191 HydrophobicContact CH2-CB 4.06Å; W145-A191 HydrophobicContact CZ3-CB 3.52Å; P147-A191 HydrophobicContact CB-CB 4.17Å; F187-A191 WeakPolarHBondContact O-CB 3.48Å; F187-A191 PolarHBondContact O-N 3.11Å; R189-A191 VanDerWaalsContact C-N 3.26Å; R189-A191 PolarHBondContact O-N 3.24Å; A191-M195 WeakPolarHBondContact O-CB 3.3Å; A191-M195 VanDerWaalsContact O-CG 3.31Å; A191-M195 WeakPolarHBondContact O-CG 3.46Å; A191-M195 PolarHBondContact O-N 3.28Å; A191-M195 VanDerWaalsContact O-N 3.08Å
192	R	98.8	Very high	98.7	Very high	123 Å²	123	42.1 Å²	42.1	46%	0.464	19%	0.186	S	C	.	.	H	α-helix	trans	-63.1	-47.3	174.1	174.1	172.7	178.7	-178.4	-2.3	111.5	E188 R189 G190 M195 S196 W248	E188-R192 WeakPolarHBondContact O-CB 3.49Å; E188-R192 PolarHBondContact O-N 3.01Å; E188-R192 VanDerWaalsContact O-N 3.11Å; R189-R192 WeakPolarHBondContact O-CB 2.88Å; R189-R192 PolarHBondContact O-N 2.82Å; R189-R192 VanDerWaalsContact O-N 3.1Å; G190-R192 VanDerWaalsContact C-N 3.33Å; G190-R192 PolarHBondContact O-N 2.94Å; R192-M195 PolarHBondContact O-N 3.38Å; R192-S196 WeakPolarHBondContact O-CB 3.49Å; R192-S196 PolarHBondContact O-N 3.46Å; R192-W248 HydrophobicContact CB-CD2 4.44Å; R192-W248 HydrophobicContact CB-CH2 4.18Å; R192-W248 HydrophobicContact CB-CZ2 3.96Å; R192-W248 HydrophobicContact CB-CZ3 4.48Å; R192-W248 HydrophobicContact CG-CD2 3.7Å; R192-W248 HydrophobicContact CG-CE3 3.85Å; R192-W248 HydrophobicContact CG-CG 4.2Å; R192-W248 HydrophobicContact CG-CH2 4.29Å; R192-W248 HydrophobicContact CG-CZ2 4.13Å; R192-W248 HydrophobicContact CG-CZ3 4.14Å
193	D	98.8	Very high	98.7	Very high	62 Å²	62	41.7 Å²	41.7	33%	0.332	19%	0.186	S	C	.	.	H	α-helix	trans	-62	-50.7	-177.5	-60.8	-17.3	0	0	0	110.1	L115 R189 G190 M195 S196 E197	L115-D193 HydrophobicContact CD2-CB 3.93Å; R189-D193 VanDerWaalsContact O-CG 3.24Å; R189-D193 PolarHBondContact O-N 2.8Å; G190-D193 PolarHBondContact O-N 3.49Å; D193-M195 PolarHBondContact O-N 2.89Å; D193-S196 PolarHBondContact O-N 2.98Å; D193-E197 VanDerWaalsContact O-CB 3.23Å; D193-E197 WeakPolarHBondContact O-CB 3.32Å; D193-E197 WeakPolarHBondContact O-CG 3.32Å; D193-E197 PolarHBondContact O-N 3.06Å
194	F	98.8	Very high	98.6	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-57.7	-49.2	176.4	-91.5	-94	0	0	0	113	P96 P110 L115 H118 W145 G190 T198	P96-F194 HydrophobicContact CG-CD1 4.27Å; P96-F194 HydrophobicContact CG-CE1 4.06Å; P96-F194 HydrophobicContact CG-CE2 4.45Å; P96-F194 HydrophobicContact CG-CZ 4.16Å; P110-F194 HydrophobicContact CB-CD2 4.11Å; P110-F194 VanDerWaalsContact O-CE2 3.25Å; P110-F194 WeakPolarHBondContact O-CE2 3.34Å; L115-F194 HydrophobicContact CB-CE2 4.13Å; L115-F194 HydrophobicContact CB-CZ 4.2Å; L115-F194 HydrophobicContact CD1-CD1 4.04Å; L115-F194 HydrophobicContact CD1-CD2 4.04Å; L115-F194 HydrophobicContact CD1-CE1 4.19Å; L115-F194 HydrophobicContact CD1-CE2 4.18Å; L115-F194 HydrophobicContact CD1-CG 3.97Å; L115-F194 HydrophobicContact CD1-CZ 4.24Å; H118-F194 HydrophobicContact CB-CE1 3.75Å; H118-F194 HydrophobicContact CB-CZ 4.45Å; H118-F194 AromaticContact CG-CD1 3.95Å; H118-F194 AromaticContact CG-CE1 3.63Å; H118-F194 AromaticContact ND1-CD1 3.92Å; H118-F194 AromaticContact ND1-CE1 3.71Å; W145-F194 HydrophobicContact CH2-CB 4.26Å; G190-F194 WeakPolarHBondContact O-CD2 3.3Å; G190-F194 PolarHBondContact O-N 2.92Å; F194-T198 VanDerWaalsContact O-CB 3.25Å; F194-T198 WeakPolarHBondContact O-CB 3.22Å; F194-T198 PolarHBondContact O-N 3.5Å; F194-T198 PolarHBondContact O-OG1 2.83Å
195	M	98.8	Very high	98.6	Very high	5 Å²	5	43.6 Å²	43.6	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-71.5	-41.1	-177	-69.4	-177.6	75.1	0	0	112.7	W142 W145 P147 A191 R192 D193 L199 F213 F216 W248 L249	W142-M195 HydrophobicContact CE3-CG 4.44Å; W142-M195 HydrophobicContact CZ3-CG 4.48Å; W145-M195 HydrophobicContact CH2-CG 4Å; W145-M195 HydrophobicContact CH2-SD 4.45Å; W145-M195 HydrophobicContact CZ3-CG 4Å; W145-M195 HydrophobicContact CZ3-SD 3.84Å; P147-M195 HydrophobicContact CB-SD 3.67Å; P147-M195 HydrophobicContact CG-CE 4.29Å; P147-M195 HydrophobicContact CG-SD 3.65Å; A191-M195 WeakPolarHBondContact O-CB 3.3Å; A191-M195 VanDerWaalsContact O-CG 3.31Å; A191-M195 WeakPolarHBondContact O-CG 3.46Å; A191-M195 PolarHBondContact O-N 3.28Å; A191-M195 VanDerWaalsContact O-N 3.08Å; R192-M195 PolarHBondContact O-N 3.38Å; D193-M195 PolarHBondContact O-N 2.89Å; M195-L199 PolarHBondContact O-N 3.38Å; M195-F213 HydrophobicContact CB-CE2 3.84Å; M195-F213 HydrophobicContact CB-CZ 3.79Å; M195-F213 HydrophobicContact CE-CB 4.43Å; M195-F213 HydrophobicContact CE-CD1 3.81Å; M195-F213 HydrophobicContact CE-CD2 3.59Å; M195-F213 HydrophobicContact CE-CE1 3.86Å; M195-F213 HydrophobicContact CE-CE2 3.61Å; M195-F213 HydrophobicContact CE-CG 3.67Å; M195-F213 HydrophobicContact CE-CZ 3.77Å; M195-F213 HydrophobicContact CG-CE1 4.29Å; M195-F213 HydrophobicContact CG-CE2 4.19Å; M195-F213 HydrophobicContact CG-CZ 3.79Å; M195-F216 HydrophobicContact CE-CE2 4.3Å; M195-F216 HydrophobicContact CE-CZ 4.29Å; M195-W248 HydrophobicContact CB-CH2 3.87Å; M195-W248 HydrophobicContact CB-CZ3 3.87Å; M195-W248 HydrophobicContact SD-CH2 4.15Å; M195-L249 HydrophobicContact CE-CD1 4.06Å; M195-L249 HydrophobicContact CE-CD2 4.03Å
196	S	98.4	Very high	98.6	Very high	11 Å²	11	38.6 Å²	38.6	8%	0.077	19%	0.187	C	C	.	.	H	α-helix	trans	-70.7	-49.3	-177.1	-177.5	0	0	0	0	111.5	R192 D193 T198 L199 Q200	R192-S196 WeakPolarHBondContact O-CB 3.49Å; R192-S196 PolarHBondContact O-N 3.46Å; D193-S196 PolarHBondContact O-N 2.98Å; S196-T198 VanDerWaalsContact C-N 3.32Å; S196-T198 PolarHBondContact O-N 2.94Å; S196-L199 PolarHBondContact O-N 3.36Å; S196-Q200 WeakPolarHBondContact O-CB 3.47Å; S196-Q200 PolarHBondContact O-N 2.82Å
197	E	98.7	Very high	98.4	Very high	74 Å²	74	40.6 Å²	40.6	35%	0.346	20%	0.204	S	C	.	.	H	α-helix	trans	-67.6	-34.7	-177.1	-63.9	-63.3	152.1	0	0	111.4	L115 L119 D193 Q200 L201	L115-E197 HydrophobicContact CD1-CB 4.49Å; L115-E197 HydrophobicContact CD2-CG 4.26Å; L119-E197 HydrophobicContact CD1-CB 3.98Å; L119-E197 HydrophobicContact CD2-CB 3.99Å; D193-E197 VanDerWaalsContact O-CB 3.23Å; D193-E197 WeakPolarHBondContact O-CB 3.32Å; D193-E197 WeakPolarHBondContact O-CG 3.32Å; D193-E197 PolarHBondContact O-N 3.06Å; E197-Q200 PolarHBondContact O-N 3.49Å; E197-L201 VanDerWaalsContact O-CB 3.3Å; E197-L201 WeakPolarHBondContact O-CB 3.26Å; E197-L201 PolarHBondContact O-N 3.13Å
198	T	98.9	Very high	98.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-65.6	-43.9	175.1	-55.1	0	0	0	0	112	L92 H118 I140 W142 F194 S196 L201 G202	L92-T198 HydrophobicContact CD2-CG2 3.77Å; L92-T198 HydrophobicContact CG-CG2 4.27Å; H118-T198 PolarHBondContact NE2-OG1 2.93Å; I140-T198 HydrophobicContact CD1-CG2 3.94Å; W142-T198 HydrophobicContact CH2-CG2 3.93Å; W142-T198 HydrophobicContact CZ2-CG2 4.3Å; F194-T198 VanDerWaalsContact O-CB 3.25Å; F194-T198 WeakPolarHBondContact O-CB 3.22Å; F194-T198 PolarHBondContact O-N 3.5Å; F194-T198 PolarHBondContact O-OG1 2.83Å; S196-T198 VanDerWaalsContact C-N 3.32Å; S196-T198 PolarHBondContact O-N 2.94Å; T198-L201 PolarHBondContact O-N 3.19Å; T198-G202 PolarHBondContact O-N 3Å
199	L	98.4	Very high	98.2	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-46	174.5	-82.1	174.5	0	0	0	111.2	I140 M195 S196 L201 G202 V203 W211 F213 L249 Q252	I140-L199 HydrophobicContact CD1-CD2 3.97Å; I140-L199 HydrophobicContact CD1-CG 4.42Å; M195-L199 PolarHBondContact O-N 3.38Å; S196-L199 PolarHBondContact O-N 3.36Å; L199-L201 VanDerWaalsContact C-N 3.33Å; L199-L201 PolarHBondContact O-N 3.28Å; L199-G202 PolarHBondContact O-N 3.36Å; L199-G202 VanDerWaalsContact O-N 3.15Å; L199-V203 WeakPolarHBondContact O-CG2 3.47Å; L199-V203 PolarHBondContact O-N 3.35Å; L199-W211 HydrophobicContact CD2-CB 3.98Å; L199-F213 HydrophobicContact CD1-CD2 3.79Å; L199-F213 HydrophobicContact CD1-CE2 3.54Å; L199-F213 HydrophobicContact CD2-CD2 4.31Å; L199-F213 HydrophobicContact CD2-CE2 4.15Å; L199-F213 HydrophobicContact CG-CD2 4.1Å; L199-F213 HydrophobicContact CG-CE2 3.57Å; L199-F213 HydrophobicContact CG-CZ 4.46Å; L199-L249 HydrophobicContact CD1-CD1 3.61Å; L199-Q252 HydrophobicContact CB-CB 4.27Å; L199-Q252 HydrophobicContact CD1-CB 4.18Å
200	Q	98.4	Very high	98.2	Very high	77 Å²	77	41.3 Å²	41.3	36%	0.36	21%	0.207	S	C	.	.	H	α-helix	trans	-59.6	-45	179.2	-178.7	169.8	-12.5	0	0	111.2	S196 E197 G202 V203 C204	S196-Q200 WeakPolarHBondContact O-CB 3.47Å; S196-Q200 PolarHBondContact O-N 2.82Å; E197-Q200 PolarHBondContact O-N 3.49Å; Q200-G202 VanDerWaalsContact C-N 3.35Å; Q200-G202 PolarHBondContact O-N 3.32Å; Q200-V203 PolarHBondContact O-N 3.04Å; Q200-C204 WeakPolarHBondContact O-CB 3.41Å; Q200-C204 PolarHBondContact O-N 2.87Å; Q200-C204 PolarHBondContact O-SG 3.43Å
201	L	98.8	Very high	98.2	Very high	27 Å²	27	41 Å²	41	14%	0.141	20%	0.204	C	C	.	.	H	α-helix	trans	-57.4	-47.2	173.9	178.8	64.1	0	0	0	111.6	L119 A122 Q123 E197 T198 L199 V203 C204 L205	L119-L201 HydrophobicContact CB-CD2 4.27Å; L119-L201 HydrophobicContact CD2-CB 4.34Å; L119-L201 HydrophobicContact CD2-CD2 3.93Å; L119-L201 WeakPolarHBondContact O-CD2 3.34Å; A122-L201 HydrophobicContact CB-CD2 3.92Å; Q123-L201 HydrophobicContact CB-CD1 4.26Å; Q123-L201 HydrophobicContact CB-CD2 4.1Å; E197-L201 VanDerWaalsContact O-CB 3.3Å; E197-L201 WeakPolarHBondContact O-CB 3.26Å; E197-L201 PolarHBondContact O-N 3.13Å; T198-L201 PolarHBondContact O-N 3.19Å; L199-L201 VanDerWaalsContact C-N 3.33Å; L199-L201 PolarHBondContact O-N 3.28Å; L201-V203 PolarHBondContact O-N 3.01Å; L201-C204 PolarHBondContact O-N 3.04Å; L201-L205 HydrophobicContact CD1-CD1 3.82Å; L201-L205 HydrophobicContact CD1-CG 4.09Å; L201-L205 HydrophobicContact CG-CD1 3.94Å; L201-L205 WeakPolarHBondContact O-CB 3.5Å; L201-L205 VanDerWaalsContact O-CG 3.29Å; L201-L205 WeakPolarHBondContact O-CG 3.19Å; L201-L205 PolarHBondContact O-N 3.03Å
202	G	98.4	Very high	98.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-57.5	-47.6	176.5	0	0	0	0	0	112.8	T198 L199 Q200 L205 R206 W211	T198-G202 PolarHBondContact O-N 3Å; L199-G202 PolarHBondContact O-N 3.36Å; L199-G202 VanDerWaalsContact O-N 3.15Å; Q200-G202 VanDerWaalsContact C-N 3.35Å; Q200-G202 PolarHBondContact O-N 3.32Å; G202-L205 PolarHBondContact O-N 3.17Å; G202-R206 PolarHBondContact O-N 3.11Å; G202-W211 VanDerWaalsContact C-NE1 3.32Å; G202-W211 VanDerWaalsContact CA-CZ2 3.49Å; G202-W211 PolarHBondContact O-NE1 2.82Å; G202-W211 VanDerWaalsContact O-NE1 3.09Å
203	V	97.6	Very high	98.2	Very high	38 Å²	38	35.3 Å²	35.3	23%	0.23	18%	0.182	C	C	.	.	H	α-helix	trans	-64.9	-43.3	177.4	173.9	0	0	0	0	111.2	L199 Q200 L201 L205 R206 P207 W211 T254	L199-V203 WeakPolarHBondContact O-CG2 3.47Å; L199-V203 PolarHBondContact O-N 3.35Å; Q200-V203 PolarHBondContact O-N 3.04Å; L201-V203 PolarHBondContact O-N 3.01Å; V203-L205 PolarHBondContact O-N 3.44Å; V203-R206 CarbonylContact O-C 3.34Å; V203-R206 VanDerWaalsContact O-C 3.27Å; V203-R206 PolarHBondContact O-N 2.92Å; V203-P207 WeakPolarHBondContact O-CA 3.21Å; V203-P207 WeakPolarHBondContact O-CB 3.45Å; V203-W211 HydrophobicContact CG2-CB 4.11Å; V203-W211 HydrophobicContact CG2-CG 4.13Å; V203-T254 HydrophobicContact CG1-CG2 4.47Å; V203-T254 HydrophobicContact CG2-CG2 3.84Å
204	C	97.8	Very high	98.2	Very high	92 Å²	92	33.3 Å²	33.3	62%	0.622	17%	0.17	S	C	*	.	H	α-helix	trans	-60.8	-44.5	177.1	-74.1	0	0	0	0	111.9	Q200 L201	Q200-C204 WeakPolarHBondContact O-CB 3.41Å; Q200-C204 PolarHBondContact O-N 2.87Å; Q200-C204 PolarHBondContact O-SG 3.43Å; L201-C204 PolarHBondContact O-N 3.04Å
205	L	98.4	Very high	98.1	Very high	41 Å²	41	34.1 Å²	34.1	22%	0.215	18%	0.177	C	C	.	.	H	α-helix	trans	-73.3	-37.9	-179.9	-67.7	174.8	0	0	0	112	Q123 I126 L201 G202 V203	Q123-L205 HydrophobicContact CB-CD1 4.26Å; Q123-L205 HydrophobicContact CG-CD1 4.01Å; Q123-L205 HydrophobicContact CG-CD2 4.43Å; I126-L205 HydrophobicContact CB-CD1 4.04Å; I126-L205 HydrophobicContact CD1-CD1 4.19Å; I126-L205 HydrophobicContact CG2-CB 4.12Å; I126-L205 HydrophobicContact CG2-CD1 3.83Å; L201-L205 HydrophobicContact CD1-CD1 3.82Å; L201-L205 HydrophobicContact CD1-CG 4.09Å; L201-L205 HydrophobicContact CG-CD1 3.94Å; L201-L205 WeakPolarHBondContact O-CB 3.5Å; L201-L205 VanDerWaalsContact O-CG 3.29Å; L201-L205 WeakPolarHBondContact O-CG 3.19Å; L201-L205 PolarHBondContact O-N 3.03Å; G202-L205 PolarHBondContact O-N 3.17Å; V203-L205 PolarHBondContact O-N 3.44Å
206	R	98.3	Very high	98	Very high	16 Å²	16	34.4 Å²	34.4	6%	0.06	18%	0.178	C	C	.	.			trans	-133.2	74.2	-174.5	-56.6	-61.6	177.4	-92.7	1.2	110	I126 L130 R131 F134 G202 V203 R208 G209 W211	I126-R206 HydrophobicContact CG2-CG 4.11Å; L130-R206 HydrophobicContact CB-CG 4.18Å; L130-R206 HydrophobicContact CD1-CG 4.32Å; L130-R206 VanDerWaalsContact O-CZ 3.23Å; L130-R206 PolarHBondContact O-NE 3.42Å; L130-R206 PolarHBondContact O-NH2 2.89Å; R131-R206 WeakPolarHBondContact O-CD 3.32Å; R131-R206 PolarHBondContact O-NE 2.75Å; F134-R206 HydrophobicContact CB-CB 4.46Å; F134-R206 HydrophobicContact CB-CG 4.39Å; F134-R206 HydrophobicContact CD1-CB 4.34Å; G202-R206 PolarHBondContact O-N 3.11Å; V203-R206 CarbonylContact O-C 3.34Å; V203-R206 VanDerWaalsContact O-C 3.27Å; V203-R206 PolarHBondContact O-N 2.92Å; R206-R208 PolarHBondContact O-N 2.92Å; R206-R208 VanDerWaalsContact O-N 3.11Å; R206-G209 PolarHBondContact O-N 3.29Å; R206-W211 HydrophobicContact CB-CZ2 4.16Å; R206-W211 HydrophobicContact CG-CZ2 4.32Å; R206-W211 PolarHBondContact O-NE1 3.37Å
207	P	96	Very high	98	Very high	89 Å²	89	34 Å²	34	58%	0.578	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.5	-168.4	25.7	-36.1	0	0	0	114.9	V203	V203-P207 WeakPolarHBondContact O-CA 3.21Å; V203-P207 WeakPolarHBondContact O-CB 3.45Å
208	R	95.5	Very high	97.8	Very high	172 Å²	172	31.8 Å²	31.8	65%	0.649	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	-1.8	174.5	-59.3	-177.6	-176.4	169.7	0.5	113	F134 R135 R206	F134-R208 CarbonylContact O-C 3.55Å; R135-R208 WeakPolarHBondContact CA-O 3.25Å; R135-R208 HydrophobicContact CG-CB 3.89Å; R206-R208 PolarHBondContact O-N 2.92Å; R206-R208 VanDerWaalsContact O-N 3.11Å
209	G	97.4	Very high	97.7	Very high	2 Å²	2	32 Å²	32	2%	0.021	17%	0.166	C	C	.	.	S	Bend	trans	-70.9	146.4	175	0	0	0	0	0	111.2	F134 R206 W211 T254	F134-G209 PolarHBondContact O-N 3.29Å; R206-G209 PolarHBondContact O-N 3.29Å; G209-W211 PolarHBondContact O-N 3.35Å; G209-T254 PolarHBondContact O-OG1 2.74Å
210	L	97.9	Very high	97.4	Very high	27 Å²	27	32.8 Å²	32.8	14%	0.141	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	85.3	175.5	-63.4	-179.8	0	0	0	108.8	V39 G136 L137 A138 T254 A255 Y257 P298	V39-L210 HydrophobicContact CB-CD1 4.41Å; V39-L210 HydrophobicContact CG1-CD1 3.86Å; V39-L210 HydrophobicContact CG2-CD1 3.87Å; G136-L210 PolarHBondContact O-N 3.37Å; L137-L210 HydrophobicContact CD1-CD1 4.03Å; L137-L210 HydrophobicContact CG-CD1 4.5Å; A138-L210 PolarHBondContact N-O 3.37Å; L210-T254 WeakPolarHBondContact CA-OG1 3.4Å; L210-A255 HydrophobicContact CB-CB 3.78Å; L210-A255 HydrophobicContact CD2-CB 4.47Å; L210-Y257 WeakPolarHBondContact CB-OH 3.05Å; L210-Y257 PolarHBondContact O-OH 2.9Å; L210-P298 HydrophobicContact CD2-CG 4.02Å
211	W	98.6	Very high	97.2	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.1	-176.4	-69.5	94.8	0	0	0	112.2	F87 I126 L130 A138 I140 L199 G202 V203 R206 G209 T254 A255	F87-W211 HydrophobicContact CE2-CH2 4.13Å; F87-W211 HydrophobicContact CE2-CZ3 4.05Å; F87-W211 HydrophobicContact CZ-CH2 4.5Å; I126-W211 HydrophobicContact CD1-CH2 3.82Å; I126-W211 HydrophobicContact CD1-CZ3 4.44Å; I126-W211 HydrophobicContact CG1-CH2 3.99Å; I126-W211 HydrophobicContact CG2-CH2 4.33Å; I126-W211 HydrophobicContact CG2-CZ2 4.36Å; L130-W211 HydrophobicContact CD1-CH2 3.98Å; L130-W211 HydrophobicContact CD1-CZ2 3.87Å; A138-W211 HydrophobicContact CB-CD2 3.46Å; A138-W211 VanDerWaalsContact CB-CD2 3.46Å; A138-W211 HydrophobicContact CB-CE3 3.51Å; A138-W211 HydrophobicContact CB-CG 4.08Å; A138-W211 HydrophobicContact CB-CH2 3.88Å; A138-W211 HydrophobicContact CB-CZ2 3.84Å; A138-W211 HydrophobicContact CB-CZ3 3.73Å; A138-W211 WeakPolarHBondContact O-CA 3.25Å; I140-W211 HydrophobicContact CD1-CE3 4.36Å; I140-W211 HydrophobicContact CD1-CZ3 4.5Å; I140-W211 HydrophobicContact CG1-CE3 4.46Å; I140-W211 HydrophobicContact CG1-CZ3 4.48Å; L199-W211 HydrophobicContact CD2-CB 3.98Å; G202-W211 VanDerWaalsContact C-NE1 3.32Å; G202-W211 VanDerWaalsContact CA-CZ2 3.49Å; G202-W211 PolarHBondContact O-NE1 2.82Å; G202-W211 VanDerWaalsContact O-NE1 3.09Å; V203-W211 HydrophobicContact CG2-CB 4.11Å; V203-W211 HydrophobicContact CG2-CG 4.13Å; R206-W211 HydrophobicContact CB-CZ2 4.16Å; R206-W211 HydrophobicContact CG-CZ2 4.32Å; R206-W211 PolarHBondContact O-NE1 3.37Å; G209-W211 PolarHBondContact O-N 3.35Å; W211-T254 PolarHBondContact N-OG1 3.26Å; W211-T254 PolarHBondContact O-N 3.49Å; W211-A255 PolarHBondContact O-N 2.76Å
212	G	98.6	Very high	96.4	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177	165.6	175	0	0	0	0	0	112.2	A138 V139 I140	A138-G212 PolarHBondContact O-N 3.32Å; V139-G212 WeakPolarHBondContact CA-O 3.4Å; I140-G212 PolarHBondContact N-O 3.32Å
213	F	98.9	Very high	95.5	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.018	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	135.9	175.6	-76.3	-88.8	0	0	0	111.4	I140 W142 M195 L199 F216 L249	I140-F213 HydrophobicContact CB-CD1 3.72Å; I140-F213 HydrophobicContact CB-CE1 3.68Å; I140-F213 HydrophobicContact CB-CG 4.35Å; I140-F213 HydrophobicContact CB-CZ 4.3Å; I140-F213 HydrophobicContact CD1-CE1 4.28Å; I140-F213 HydrophobicContact CD1-CE2 4.41Å; I140-F213 HydrophobicContact CD1-CZ 4.04Å; I140-F213 HydrophobicContact CG2-CD1 3.78Å; I140-F213 HydrophobicContact CG2-CE1 3.35Å; I140-F213 HydrophobicContact CG2-CZ 4.13Å; I140-F213 CarbonylContact O-C 3.46Å; I140-F213 VanDerWaalsContact O-CA 3.3Å; I140-F213 WeakPolarHBondContact O-CA 3.44Å; I140-F213 WeakPolarHBondContact O-CD1 3.43Å; W142-F213 HydrophobicContact CB-CD1 4.37Å; W142-F213 HydrophobicContact CB-CE1 4.18Å; W142-F213 AromaticContact CD2-CE1 3.86Å; W142-F213 HydrophobicContact CD2-CE1 3.86Å; W142-F213 AromaticContact CE3-CE1 3.53Å; W142-F213 HydrophobicContact CE3-CE1 3.53Å; W142-F213 AromaticContact CE3-CZ 3.99Å; W142-F213 HydrophobicContact CE3-CZ 3.99Å; W142-F213 HydrophobicContact CG-CE1 4.17Å; W142-F213 HydrophobicContact CZ3-CE1 4.15Å; W142-F213 HydrophobicContact CZ3-CZ 4.16Å; M195-F213 HydrophobicContact CB-CE2 3.84Å; M195-F213 HydrophobicContact CB-CZ 3.79Å; M195-F213 HydrophobicContact CE-CB 4.43Å; M195-F213 HydrophobicContact CE-CD1 3.81Å; M195-F213 HydrophobicContact CE-CD2 3.59Å; M195-F213 HydrophobicContact CE-CE1 3.86Å; M195-F213 HydrophobicContact CE-CE2 3.61Å; M195-F213 HydrophobicContact CE-CG 3.67Å; M195-F213 HydrophobicContact CE-CZ 3.77Å; M195-F213 HydrophobicContact CG-CE1 4.29Å; M195-F213 HydrophobicContact CG-CE2 4.19Å; M195-F213 HydrophobicContact CG-CZ 3.79Å; L199-F213 HydrophobicContact CD1-CD2 3.79Å; L199-F213 HydrophobicContact CD1-CE2 3.54Å; L199-F213 HydrophobicContact CD2-CD2 4.31Å; L199-F213 HydrophobicContact CD2-CE2 4.15Å; L199-F213 HydrophobicContact CG-CD2 4.1Å; L199-F213 HydrophobicContact CG-CE2 3.57Å; L199-F213 HydrophobicContact CG-CZ 4.46Å; F213-F216 HydrophobicContact CB-CD2 3.66Å; F213-F216 HydrophobicContact CB-CE2 4.29Å; F213-F216 HydrophobicContact CB-CG 4.37Å; F213-F216 PolarHBondContact O-N 2.82Å; F213-L249 HydrophobicContact CD2-CD1 3.71Å; F213-L249 HydrophobicContact CE2-CD1 3.91Å
214	Y	98.8	Very high	94.1	Very high	20 Å²	20	44.6 Å²	44.6	8%	0.078	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-57	144.9	169.3	164.6	-101.3	0	0	0	111.1	I140 D141 E143 F216 S259 Y261 Y302	I140-Y214 PolarHBondContact O-N 2.81Å; D141-Y214 WeakPolarHBondContact OD1-CD1 3.21Å; E143-Y214 HydrophobicContact CG-CD1 4.19Å; E143-Y214 HydrophobicContact CG-CE1 4.24Å; Y214-F216 VanDerWaalsContact O-CD2 3.26Å; Y214-F216 WeakPolarHBondContact O-CD2 3.49Å; Y214-F216 PolarHBondContact O-N 2.94Å; Y214-S259 PolarHBondContact OH-OG 2.61Å; Y214-Y261 WeakPolarHBondContact OH-CE2 3.24Å; Y214-Y302 AromaticContact CD2-CD1 3.8Å; Y214-Y302 HydrophobicContact CD2-CD1 3.8Å; Y214-Y302 AromaticContact CD2-CD2 3.93Å; Y214-Y302 HydrophobicContact CD2-CD2 3.93Å; Y214-Y302 HydrophobicContact CD2-CE1 4.12Å; Y214-Y302 HydrophobicContact CD2-CE2 4.23Å; Y214-Y302 AromaticContact CD2-CG 3.68Å; Y214-Y302 HydrophobicContact CD2-CG 3.68Å; Y214-Y302 AromaticContact CE2-CD1 3.82Å; Y214-Y302 HydrophobicContact CE2-CD1 3.82Å; Y214-Y302 HydrophobicContact CE2-CD2 4.48Å; Y214-Y302 HydrophobicContact CE2-CE1 4.48Å; Y214-Y302 AromaticContact CE2-CG 3.8Å; Y214-Y302 HydrophobicContact CE2-CG 3.8Å
215	S	96.9	Very high	92.6	Very high	21 Å²	21	45.7 Å²	45.7	15%	0.147	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	-4.9	178.6	-152.5	0	0	0	0	115.9	P217 E218 Y257	S215-P217 CarbonylContact O-C 3.23Å; S215-P217 VanDerWaalsContact O-C 3.26Å; S215-E218 VanDerWaalsContact O-CG 3.31Å; S215-E218 WeakPolarHBondContact O-CG 3.46Å; S215-E218 PolarHBondContact O-N 2.87Å; S215-Y257 WeakPolarHBondContact CA-O 3.38Å; S215-Y257 PolarHBondContact N-O 2.85Å
216	F	98.4	Very high	90.9	Very high	12 Å²	12	50.4 Å²	50.4	5%	0.053	22%	0.223	C	C	.	.	P	Polyproline II helix	trans	-97.4	135.8	-179.5	-73.8	-95.3	0	0	0	113.4	P147 M195 F213 Y214 L246 L249 W250 Y257	P147-F216 HydrophobicContact CG-CE1 4.13Å; P147-F216 HydrophobicContact CG-CZ 4.25Å; M195-F216 HydrophobicContact CE-CE2 4.3Å; M195-F216 HydrophobicContact CE-CZ 4.29Å; F213-F216 HydrophobicContact CB-CD2 3.66Å; F213-F216 HydrophobicContact CB-CE2 4.29Å; F213-F216 HydrophobicContact CB-CG 4.37Å; F213-F216 PolarHBondContact O-N 2.82Å; Y214-F216 VanDerWaalsContact O-CD2 3.26Å; Y214-F216 WeakPolarHBondContact O-CD2 3.49Å; Y214-F216 PolarHBondContact O-N 2.94Å; F216-L246 HydrophobicContact CD1-CD1 4.32Å; F216-L246 HydrophobicContact CE1-CD1 4.1Å; F216-L249 HydrophobicContact CD1-CD2 3.79Å; F216-L249 HydrophobicContact CE1-CD2 4.18Å; F216-L249 HydrophobicContact CG-CD2 4.16Å; F216-W250 HydrophobicContact CB-CH2 4.22Å; F216-W250 HydrophobicContact CB-CZ3 3.92Å; F216-W250 AromaticContact CD1-CH2 3.96Å; F216-W250 HydrophobicContact CD1-CH2 3.96Å; F216-W250 HydrophobicContact CD1-CZ3 4.3Å; F216-Y257 CarbonylContact O-C 3.47Å; F216-Y257 PolarHBondContact O-N 2.9Å
217	P	98.1	Very high	89.3	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.013	26%	0.264	C	S	.	.	S	Bend	cis	-77.3	147	-5.2	32.8	-36.7	0	0	0	113.3	S215 W250 E282 A283 V286	S215-P217 CarbonylContact O-C 3.23Å; S215-P217 VanDerWaalsContact O-C 3.26Å; P217-W250 HydrophobicContact CB-CH2 3.83Å; P217-W250 HydrophobicContact CB-CZ2 4.24Å; P217-W250 HydrophobicContact CB-CZ3 4.47Å; P217-E282 HydrophobicContact CB-CG 4.33Å; P217-E282 HydrophobicContact CG-CG 4.18Å; P217-A283 HydrophobicContact CG-CB 3.96Å; P217-V286 HydrophobicContact CB-CG2 4.36Å; P217-V286 HydrophobicContact CG-CG2 3.76Å
218	E	94.6	Very high	87.9	Confident	28 Å²	28	59.3 Å²	59.3	13%	0.131	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-83.5	140.5	171.1	-70.8	-177.3	-85.9	0	0	111.3	R146 S215 F220 T239 N243	R146-E218 WeakPolarHBondContact CD-OE1 3.33Å; R146-E218 IonicContact CZ-OE1 3.73Å; R146-E218 IonicContact CZ-OE2 3.22Å; R146-E218 IonicContact NE-OE1 2.79Å; R146-E218 PolarHBondContact NE-OE1 3.24Å; R146-E218 IonicContact NE-OE2 3.71Å; R146-E218 PolarHBondContact NE-OE2 3.49Å; R146-E218 IonicContact NH2-OE1 2.59Å; R146-E218 IonicContact NH2-OE2 3.99Å; R146-E218 PolarHBondContact NH2-OE2 3.42Å; R146-E218 VanDerWaalsContact NH2-OE2 3.13Å; S215-E218 VanDerWaalsContact O-CG 3.31Å; S215-E218 WeakPolarHBondContact O-CG 3.46Å; S215-E218 PolarHBondContact O-N 2.87Å; E218-F220 HydrophobicContact CB-CD2 3.91Å; E218-F220 HydrophobicContact CB-CE1 4.4Å; E218-F220 HydrophobicContact CB-CE2 3.39Å; E218-F220 HydrophobicContact CB-CZ 3.68Å; E218-F220 HydrophobicContact CG-CE2 4.34Å; E218-F220 HydrophobicContact CG-CZ 4.14Å; E218-F220 VanDerWaalsContact OE1-CZ 3.31Å; E218-F220 WeakPolarHBondContact OE1-CZ 3.42Å; E218-F220 VanDerWaalsContact OE2-CE1 3.27Å; E218-F220 WeakPolarHBondContact OE2-CE1 3.36Å; E218-F220 VanDerWaalsContact OE2-CZ 3.32Å; E218-F220 WeakPolarHBondContact OE2-CZ 3.49Å; E218-T239 WeakPolarHBondContact O-CG2 3.47Å; E218-N243 PolarHBondContact O-ND2 3.25Å; E218-N243 VanDerWaalsContact O-ND2 3.11Å
219	C	96.3	Very high	87	Confident	3 Å²	3	57.2 Å²	57.2	2%	0.02	27%	0.274	C	S	.	.			trans	-103.6	-19.2	177.8	-179	0	0	0	0	113.3	N221 C235 H236 R279	C219-N221 PolarHBondContact O-N 2.78Å; C219-N221 VanDerWaalsContact O-N 3.13Å; C219-N221 VanDerWaalsContact SG-CG 3.59Å; C219-C235 HydrophobicContact CB-CB 4.06Å; C219-C235 WeakPolarHBondContact CB-SG 3.16Å; C219-C235 CarbonylContact O-C 3.53Å; C219-C235 WeakPolarHBondContact O-CA 3.5Å; C219-C235 WeakPolarHBondContact O-CB 3.4Å; C219-C235 WeakPolarHBondContact SG-CA 3.41Å; C219-C235 WeakPolarHBondContact SG-CB 3.15Å; C219-C235 CovalentContact SG-SG 2.04Å; C219-C235 PolarHBondContact SG-SG 2.8Å; C219-H236 PolarHBondContact O-N 3.29Å; C219-R279 HydrophobicContact CB-CB 4.39Å; C219-R279 HydrophobicContact CB-CG 3.68Å
220	F	92.6	Very high	86.3	Confident	17 Å²	17	62.1 Å²	62.1	8%	0.075	31%	0.308	C	S	.	.			trans	51.6	31.2	-179.3	-59.6	-81.8	0	0	0	115.1	R151 F153 E218 Y222 H236 T239	R151-F220 HydrophobicContact CG-CZ 4.49Å; F153-F220 HydrophobicContact CE1-CD1 4.41Å; F153-F220 AromaticContact CE1-CE1 3.97Å; F153-F220 HydrophobicContact CE1-CE1 3.97Å; F153-F220 AromaticContact CZ-CD1 3.93Å; F153-F220 HydrophobicContact CZ-CD1 3.93Å; F153-F220 AromaticContact CZ-CE1 3.61Å; F153-F220 HydrophobicContact CZ-CE1 3.61Å; E218-F220 HydrophobicContact CB-CD2 3.91Å; E218-F220 HydrophobicContact CB-CE1 4.4Å; E218-F220 HydrophobicContact CB-CE2 3.39Å; E218-F220 HydrophobicContact CB-CZ 3.68Å; E218-F220 HydrophobicContact CG-CE2 4.34Å; E218-F220 HydrophobicContact CG-CZ 4.14Å; E218-F220 VanDerWaalsContact OE1-CZ 3.31Å; E218-F220 WeakPolarHBondContact OE1-CZ 3.42Å; E218-F220 VanDerWaalsContact OE2-CE1 3.27Å; E218-F220 WeakPolarHBondContact OE2-CE1 3.36Å; E218-F220 VanDerWaalsContact OE2-CZ 3.32Å; E218-F220 WeakPolarHBondContact OE2-CZ 3.49Å; F220-Y222 VanDerWaalsContact C-N 3.29Å; F220-Y222 HydrophobicContact CB-CE1 3.93Å; F220-Y222 AromaticContact CD1-CE1 3.64Å; F220-Y222 HydrophobicContact CD1-CE1 3.64Å; F220-Y222 AromaticContact CD1-CZ 3.93Å; F220-Y222 WeakPolarHBondContact CD1-OH 3.42Å; F220-Y222 HydrophobicContact CG-CE1 4.25Å; F220-Y222 PolarHBondContact O-N 2.99Å; F220-H236 HydrophobicContact CB-CB 3.9Å; F220-T239 HydrophobicContact CD2-CG2 4.01Å
221	N	93.6	Very high	85.9	Confident	0 Å²	0	61.4 Å²	61.4	0%	0	30%	0.304	C	S	.	.			trans	-87.4	24.4	-175.4	61.2	-15.6	0	0	0	114.6	C219 H223 Y231 G233 H234 L275 R279	C219-N221 PolarHBondContact O-N 2.78Å; C219-N221 VanDerWaalsContact O-N 3.13Å; C219-N221 VanDerWaalsContact SG-CG 3.59Å; N221-H223 VanDerWaalsContact C-N 3.27Å; N221-H223 PolarHBondContact O-N 3.18Å; N221-Y231 WeakPolarHBondContact O-CE2 3.48Å; N221-Y231 PolarHBondContact O-OH 3.09Å; N221-G233 WeakPolarHBondContact CB-O 3.43Å; N221-G233 PolarHBondContact ND2-O 3.07Å; N221-H234 WeakPolarHBondContact CB-O 3.42Å; N221-L275 PolarHBondContact ND2-O 3.24Å; N221-L275 WeakPolarHBondContact OD1-CD1 3.39Å; N221-R279 PolarHBondContact OD1-NE 3.06Å
222	Y	82.9	Confident	85.5	Confident	121 Å²	121	64.6 Å²	64.6	48%	0.475	32%	0.323	S	S	.	.			trans	-83.1	5.6	-176.5	46.2	-104.5	0	0	0	114.8	F220 R265	F220-Y222 VanDerWaalsContact C-N 3.29Å; F220-Y222 HydrophobicContact CB-CE1 3.93Å; F220-Y222 AromaticContact CD1-CE1 3.64Å; F220-Y222 HydrophobicContact CD1-CE1 3.64Å; F220-Y222 AromaticContact CD1-CZ 3.93Å; F220-Y222 WeakPolarHBondContact CD1-OH 3.42Å; F220-Y222 HydrophobicContact CG-CE1 4.25Å; F220-Y222 PolarHBondContact O-N 2.99Å; Y222-R265 PolarHBondContact O-NH2 3.13Å
223	H	77.9	Confident	85.3	Confident	69 Å²	69	64.6 Å²	64.6	32%	0.319	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-59.4	145	-179.2	60.1	-89.3	0	0	0	111.3	N221 Y231	N221-H223 VanDerWaalsContact C-N 3.27Å; N221-H223 PolarHBondContact O-N 3.18Å; H223-Y231 AromaticContact CE1-CE2 3.96Å; H223-Y231 AromaticContact NE2-CD2 3.79Å; H223-Y231 AromaticContact NE2-CE2 3.78Å
224	R	67.8	Low	85.1	Confident	201 Å²	201	69.2 Å²	69.2	76%	0.758	35%	0.345	S	S	*	.	P	Polyproline II helix	trans	-74.2	156.8	175.7	-69.3	-175.6	174.4	-177.1	-1.8	109.9	Q226	R224-Q226 PolarHBondContact O-N 3.16Å; R224-Q226 VanDerWaalsContact O-N 3.16Å
225	K	66.8	Low	84.9	Confident	114 Å²	114	69.6 Å²	69.6	50%	0.496	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-49.5	121.7	165.7	-74.1	-179.3	178.1	171	0	108.7	D271	K225-D271 WeakPolarHBondContact CE-OD2 3.27Å; K225-D271 IonicContact NZ-OD1 3.36Å; K225-D271 PolarHBondContact NZ-OD1 3.48Å; K225-D271 IonicContact NZ-OD2 2.78Å; K225-D271 PolarHBondContact NZ-OD2 2.74Å
226	Q	63.9	Low	84.7	Confident	140 Å²	140	73.5 Å²	73.5	65%	0.654	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-71.3	145.2	167.8	-64.8	-172.3	2.6	0	0	108	R224 G228 H229	R224-Q226 PolarHBondContact O-N 3.16Å; R224-Q226 VanDerWaalsContact O-N 3.16Å; Q226-G228 PolarHBondContact O-N 3.3Å; Q226-G228 VanDerWaalsContact O-N 3.17Å; Q226-H229 HydrophobicContact CB-CB 4.48Å; Q226-H229 PolarHBondContact O-N 3.41Å
227	K	64.8	Low	84.3	Confident	210 Å²	210	77 Å²	77	91%	0.913	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	125.1	178.4	-77.5	-174.7	175.9	-177.6	0	109.2
228	G	66.5	Low	84	Confident	83 Å²	83	83.4 Å²	83.4	86%	0.856	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.2	0.1	-179.4	0	0	0	0	0	116	Q226	Q226-G228 PolarHBondContact O-N 3.3Å; Q226-G228 VanDerWaalsContact O-N 3.17Å
229	H	74.8	Confident	84.1	Confident	127 Å²	127	82.2 Å²	82.2	59%	0.588	41%	0.414	S	S	*	.			trans	-127.9	137.1	179.8	-65.2	-71	0	0	0	113.2	Q226	Q226-H229 HydrophobicContact CB-CB 4.48Å; Q226-H229 PolarHBondContact O-N 3.41Å
230	S	82.9	Confident	84	Confident	105 Å²	105	88.9 Å²	88.9	73%	0.734	44%	0.439	S	S	*	.			trans	-69	142.4	172.3	-60	0	0	0	0	110.9
231	Y	90.1	Very high	84.2	Confident	12 Å²	12	93.6 Å²	93.6	5%	0.047	46%	0.461	C	S	.	.			trans	-70.8	130	172.4	175.3	-109.8	0	0	0	108.8	N221 H223 D271 L274 L275	N221-Y231 WeakPolarHBondContact O-CE2 3.48Å; N221-Y231 PolarHBondContact O-OH 3.09Å; H223-Y231 AromaticContact CE1-CE2 3.96Å; H223-Y231 AromaticContact NE2-CD2 3.79Å; H223-Y231 AromaticContact NE2-CE2 3.78Å; Y231-D271 HydrophobicContact CD1-CB 3.8Å; Y231-D271 HydrophobicContact CE1-CB 4.32Å; Y231-L274 HydrophobicContact CD1-CB 4.42Å; Y231-L274 HydrophobicContact CE1-CB 4.24Å; Y231-L274 VanDerWaalsContact O-CD1 3.31Å; Y231-L274 WeakPolarHBondContact O-CD1 3.34Å; Y231-L275 HydrophobicContact CE1-CB 4.28Å; Y231-L275 WeakPolarHBondContact OH-CD1 3.38Å
232	T	91.1	Very high	84.4	Confident	67 Å²	67	96 Å²	96	41%	0.411	47%	0.471	S	S	.	.			trans	-106.5	-9.1	-174.6	66.1	0	0	0	0	113.2	H234 H278	T232-H234 VanDerWaalsContact CB-ND1 3.31Å; T232-H234 WeakPolarHBondContact CB-ND1 3.27Å; T232-H234 PolarHBondContact O-N 3.2Å; T232-H234 PolarHBondContact O-ND1 3.45Å; T232-H234 PolarHBondContact OG1-ND1 3.12Å; T232-H278 PolarHBondContact O-CE1 3.22Å; T232-H278 PolarHBondContact O-ND1 2.81Å
233	G	93.6	Very high	85.1	Confident	0 Å²	0	90.2 Å²	90.2	0%	0	45%	0.449	C	S	.	.			trans	76.3	-12.4	-175.4	0	0	0	0	0	115.7	N221 L274 H278	N221-G233 WeakPolarHBondContact CB-O 3.43Å; N221-G233 PolarHBondContact ND2-O 3.07Å; G233-L274 WeakPolarHBondContact CA-O 3.17Å; G233-H278 VanDerWaalsContact C-CG 3.43Å; G233-H278 WeakPolarHBondContact O-CB 3.25Å; G233-H278 VanDerWaalsContact O-CG 3.25Å
234	H	94.5	Very high	86.1	Confident	101 Å²	101	89.2 Å²	89.2	47%	0.468	45%	0.446	S	S	.	.	P	Polyproline II helix	trans	-54.9	141.5	-174.6	-75	75.3	0	0	0	112.9	N221 T232 H278	N221-H234 WeakPolarHBondContact CB-O 3.42Å; T232-H234 VanDerWaalsContact CB-ND1 3.31Å; T232-H234 WeakPolarHBondContact CB-ND1 3.27Å; T232-H234 PolarHBondContact O-N 3.2Å; T232-H234 PolarHBondContact O-ND1 3.45Å; T232-H234 PolarHBondContact OG1-ND1 3.12Å; H234-H278 AromaticContact CD2-NE2 3.78Å; H234-H278 AromaticContact CE1-NE2 3.51Å; H234-H278 AromaticContact CG-CD2 3.99Å; H234-H278 AromaticContact CG-NE2 3.69Å; H234-H278 AromaticContact ND1-NE2 3.52Å; H234-H278 AromaticContact NE2-NE2 3.7Å
235	C	95.3	Very high	87.5	Confident	28 Å²	28	84.3 Å²	84.3	19%	0.189	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-56.3	143.9	172.3	-57.4	0	0	0	0	110.7	C219 T239	C219-C235 HydrophobicContact CB-CB 4.06Å; C219-C235 WeakPolarHBondContact CB-SG 3.16Å; C219-C235 CarbonylContact O-C 3.53Å; C219-C235 WeakPolarHBondContact O-CA 3.5Å; C219-C235 WeakPolarHBondContact O-CB 3.4Å; C219-C235 WeakPolarHBondContact SG-CA 3.41Å; C219-C235 WeakPolarHBondContact SG-CB 3.15Å; C219-C235 CovalentContact SG-SG 2.04Å; C219-C235 PolarHBondContact SG-SG 2.8Å; C235-T239 HydrophobicContact CB-CG2 4.22Å
236	H	92.8	Very high	89	Confident	103 Å²	103	78.9 Å²	78.9	48%	0.477	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-55.7	146.8	-179.3	-176.7	-78	0	0	0	110.7	C219 F220 K238 T239	C219-H236 PolarHBondContact O-N 3.29Å; F220-H236 HydrophobicContact CB-CB 3.9Å; H236-K238 PolarHBondContact O-N 3.48Å; H236-T239 WeakPolarHBondContact O-CB 3.49Å; H236-T239 PolarHBondContact O-N 3.38Å; H236-T239 PolarHBondContact O-OG1 2.84Å
237	S	89.3	Confident	90.7	Very high	87 Å²	87	72.8 Å²	72.8	61%	0.608	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.2	140	178.1	-177.5	0	0	0	0	112.4	T239	S237-T239 PolarHBondContact O-N 2.94Å
238	K	92.9	Very high	92.2	Very high	135 Å²	135	64.1 Å²	64.1	59%	0.587	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	3.3	-174.8	-49.7	-176.7	177.6	179.7	0	115.7	H236 Q241 K242	H236-K238 PolarHBondContact O-N 3.48Å; K238-Q241 PolarHBondContact O-N 2.8Å; K238-K242 WeakPolarHBondContact O-CB 3.35Å; K238-K242 VanDerWaalsContact O-CG 3.26Å; K238-K242 WeakPolarHBondContact O-CG 3.45Å; K238-K242 PolarHBondContact O-N 3.46Å
239	T	95.1	Very high	93.7	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.018	30%	0.302	C	S	.	.	H	α-helix	trans	-62.8	-44.7	178.1	-64.6	0	0	0	0	111.7	R151 E218 F220 C235 H236 S237 K242 N243	R151-T239 PolarHBondContact NH2-O 3.46Å; E218-T239 WeakPolarHBondContact O-CG2 3.47Å; F220-T239 HydrophobicContact CD2-CG2 4.01Å; C235-T239 HydrophobicContact CB-CG2 4.22Å; H236-T239 WeakPolarHBondContact O-CB 3.49Å; H236-T239 PolarHBondContact O-N 3.38Å; H236-T239 PolarHBondContact O-OG1 2.84Å; S237-T239 PolarHBondContact O-N 2.94Å; T239-K242 PolarHBondContact O-N 2.86Å; T239-N243 PolarHBondContact O-N 2.63Å
240	R	95.6	Very high	94.8	Very high	143 Å²	143	54.2 Å²	54.2	54%	0.54	28%	0.275	S	S	.	.	H	α-helix	trans	-56.3	-53	175.8	-68.2	-176.8	57.3	-167.9	-5.5	111.9	K242 N243 D244 E282 R285	R240-K242 VanDerWaalsContact C-N 3.26Å; R240-K242 PolarHBondContact O-N 2.84Å; R240-N243 CarbonylContact O-C 3.28Å; R240-N243 WeakPolarHBondContact O-CA 3.31Å; R240-N243 WeakPolarHBondContact O-CB 3.48Å; R240-N243 PolarHBondContact O-N 2.91Å; R240-D244 PolarHBondContact O-N 3.05Å; R240-E282 WeakPolarHBondContact CG-OE2 3.34Å; R240-R285 PolarHBondContact O-NH2 3.39Å
241	Q	96.9	Very high	95.4	Very high	117 Å²	117	56.1 Å²	56.1	55%	0.547	27%	0.266	S	S	.	.	H	α-helix	trans	-57.9	-35.6	176.9	-66.1	164	-8	0	0	113.3	K238 D244 Q245	K238-Q241 PolarHBondContact O-N 2.8Å; Q241-D244 PolarHBondContact O-N 3.02Å; Q241-Q245 PolarHBondContact O-N 3.48Å; Q241-Q245 PolarHBondContact O-NE2 2.79Å
242	K	97.3	Very high	95.6	Very high	49 Å²	49	58.5 Å²	58.5	21%	0.213	28%	0.277	C	S	.	.	H	α-helix	trans	-72.6	-38.3	174.5	-72.1	168.5	-174.3	170	0	111.3	L148 V150 R151 K238 T239 R240 D244 Q245	L148-K242 HydrophobicContact CD1-CB 3.84Å; L148-K242 HydrophobicContact CD1-CG 4.42Å; L148-K242 VanDerWaalsContact CD1-O 3.31Å; L148-K242 WeakPolarHBondContact CD1-O 3.03Å; V150-K242 HydrophobicContact CG2-CD 4.19Å; R151-K242 VanDerWaalsContact NH2-CB 3.29Å; K238-K242 WeakPolarHBondContact O-CB 3.35Å; K238-K242 VanDerWaalsContact O-CG 3.26Å; K238-K242 WeakPolarHBondContact O-CG 3.45Å; K238-K242 PolarHBondContact O-N 3.46Å; T239-K242 PolarHBondContact O-N 2.86Å; R240-K242 VanDerWaalsContact C-N 3.26Å; R240-K242 PolarHBondContact O-N 2.84Å; K242-D244 VanDerWaalsContact C-N 3.27Å; K242-D244 PolarHBondContact O-N 3.41Å; K242-Q245 WeakPolarHBondContact O-CB 3.33Å; K242-Q245 PolarHBondContact O-N 3.38Å
243	N	98.3	Very high	95.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65	-33.3	171.9	-71.7	-21.5	0	0	0	111.1	R151 E218 T239 R240 Q245 L246 W250 E282 V286	R151-N243 VanDerWaalsContact CZ-OD1 3.24Å; R151-N243 PolarHBondContact NH1-OD1 3.49Å; R151-N243 PolarHBondContact NH2-OD1 2.9Å; E218-N243 PolarHBondContact O-ND2 3.25Å; E218-N243 VanDerWaalsContact O-ND2 3.11Å; T239-N243 PolarHBondContact O-N 2.63Å; R240-N243 CarbonylContact O-C 3.28Å; R240-N243 WeakPolarHBondContact O-CA 3.31Å; R240-N243 WeakPolarHBondContact O-CB 3.48Å; R240-N243 PolarHBondContact O-N 2.91Å; N243-Q245 VanDerWaalsContact C-N 3.28Å; N243-Q245 PolarHBondContact O-N 3.46Å; N243-L246 WeakPolarHBondContact O-CA 3.46Å; N243-L246 WeakPolarHBondContact O-CB 3.48Å; N243-L246 PolarHBondContact O-N 2.91Å; N243-W250 HydrophobicContact CB-CZ2 4.04Å; N243-W250 PolarHBondContact O-NE1 2.99Å; N243-E282 WeakPolarHBondContact CB-OE1 3.4Å; N243-E282 PolarHBondContact ND2-OE1 3.12Å; N243-V286 HydrophobicContact CB-CG1 4.25Å
244	D	98.1	Very high	96.1	Very high	48 Å²	48	56.9 Å²	56.9	26%	0.257	27%	0.268	S	S	.	.	H	α-helix	trans	-64.8	-32.6	175.2	-56.6	-23.7	0	0	0	112.1	R240 Q241 K242 L246 A247 R285	R240-D244 PolarHBondContact O-N 3.05Å; Q241-D244 PolarHBondContact O-N 3.02Å; K242-D244 VanDerWaalsContact C-N 3.27Å; K242-D244 PolarHBondContact O-N 3.41Å; D244-L246 PolarHBondContact O-N 3.41Å; D244-A247 WeakPolarHBondContact O-CB 3.47Å; D244-A247 PolarHBondContact O-N 2.85Å; D244-A247 VanDerWaalsContact O-N 3.13Å; D244-R285 IonicContact OD1-CZ 3.73Å; D244-R285 VanDerWaalsContact OD1-CZ 3.24Å; D244-R285 IonicContact OD1-NH1 3.9Å; D244-R285 PolarHBondContact OD1-NH1 3.42Å; D244-R285 IonicContact OD1-NH2 3.79Å; D244-R285 PolarHBondContact OD1-NH2 2.96Å; D244-R285 IonicContact OD2-NH1 3.5Å
245	Q	98.1	Very high	96.3	Very high	98 Å²	98	52.1 Å²	52.1	46%	0.458	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.9	172.4	-68.8	166.4	55	0	0	113.1	L148 Q241 K242 N243 A247 W248	L148-Q245 HydrophobicContact CD2-CB 4.37Å; Q241-Q245 PolarHBondContact O-N 3.48Å; Q241-Q245 PolarHBondContact O-NE2 2.79Å; K242-Q245 WeakPolarHBondContact O-CB 3.33Å; K242-Q245 PolarHBondContact O-N 3.38Å; N243-Q245 VanDerWaalsContact C-N 3.28Å; N243-Q245 PolarHBondContact O-N 3.46Å; Q245-A247 VanDerWaalsContact C-N 3.31Å; Q245-W248 PolarHBondContact O-NE1 2.92Å
246	L	98.4	Very high	96.5	Very high	0 Å²	0	51 Å²	51	0%	0	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	20	175.5	-62.9	177.4	0	0	0	112.5	P147 L148 F216 N243 D244 W248 L249 W250	P147-L246 HydrophobicContact CB-CD2 4.13Å; P147-L246 HydrophobicContact CG-CD1 4.27Å; P147-L246 HydrophobicContact CG-CD2 3.76Å; L148-L246 HydrophobicContact CD1-CD1 4.3Å; L148-L246 HydrophobicContact CD1-CD2 4.35Å; L148-L246 HydrophobicContact CD1-CG 4.09Å; L148-L246 HydrophobicContact CD2-CD2 3.83Å; L148-L246 HydrophobicContact CD2-CG 4.39Å; L148-L246 HydrophobicContact CG-CD1 4.44Å; L148-L246 HydrophobicContact CG-CD2 3.88Å; L148-L246 HydrophobicContact CG-CG 4.16Å; F216-L246 HydrophobicContact CD1-CD1 4.32Å; F216-L246 HydrophobicContact CE1-CD1 4.1Å; N243-L246 WeakPolarHBondContact O-CA 3.46Å; N243-L246 WeakPolarHBondContact O-CB 3.48Å; N243-L246 PolarHBondContact O-N 2.91Å; D244-L246 PolarHBondContact O-N 3.41Å; L246-W248 HydrophobicContact CD2-CZ2 3.56Å; L246-W248 PolarHBondContact O-N 2.83Å; L246-L249 HydrophobicContact CB-CB 4.3Å; L246-L249 WeakPolarHBondContact O-CA 3.24Å; L246-L249 VanDerWaalsContact O-CB 3.31Å; L246-L249 WeakPolarHBondContact O-CB 3.49Å; L246-L249 PolarHBondContact O-N 3.02Å; L246-W250 HydrophobicContact CB-CH2 4.11Å; L246-W250 HydrophobicContact CB-CZ2 3.43Å; L246-W250 VanDerWaalsContact CB-CZ2 3.43Å; L246-W250 HydrophobicContact CD1-CH2 4.07Å; L246-W250 HydrophobicContact CD1-CZ2 3.97Å; L246-W250 HydrophobicContact CG-CZ2 4.33Å; L246-W250 PolarHBondContact O-N 3.42Å; L246-W250 PolarHBondContact O-NE1 3.12Å
247	A	97.8	Very high	96.7	Very high	13 Å²	13	46.1 Å²	46.1	11%	0.107	22%	0.215	C	C	.	.	H	α-helix	trans	-49.2	-32.5	174.4	0	0	0	0	0	113.8	D244 Q245 L249 W250 R251 Y290	D244-A247 WeakPolarHBondContact O-CB 3.47Å; D244-A247 PolarHBondContact O-N 2.85Å; D244-A247 VanDerWaalsContact O-N 3.13Å; Q245-A247 VanDerWaalsContact C-N 3.31Å; A247-L249 VanDerWaalsContact C-N 3.32Å; A247-L249 PolarHBondContact O-N 2.96Å; A247-W250 VanDerWaalsContact CA-CD1 3.47Å; A247-R251 WeakPolarHBondContact O-CB 3.46Å; A247-R251 VanDerWaalsContact O-CG 3.29Å; A247-R251 WeakPolarHBondContact O-CG 3.38Å; A247-R251 PolarHBondContact O-N 2.65Å; A247-R251 VanDerWaalsContact O-N 3.14Å; A247-Y290 HydrophobicContact CB-CD1 3.8Å; A247-Y290 HydrophobicContact CB-CE1 3.46Å; A247-Y290 VanDerWaalsContact CB-CE1 3.46Å; A247-Y290 HydrophobicContact CB-CG 4.48Å
248	W	97.2	Very high	97.2	Very high	27 Å²	27	42 Å²	42	10%	0.102	19%	0.187	C	C	.	.	H	α-helix	trans	-64.3	-33.6	174.8	60.8	-96.3	0	0	0	113	P147 R192 M195 Q245 L246 Q252	P147-W248 HydrophobicContact CB-CH2 4.06Å; P147-W248 HydrophobicContact CB-CZ2 3.83Å; P147-W248 HydrophobicContact CG-CZ2 4.36Å; R192-W248 HydrophobicContact CB-CD2 4.44Å; R192-W248 HydrophobicContact CB-CH2 4.18Å; R192-W248 HydrophobicContact CB-CZ2 3.96Å; R192-W248 HydrophobicContact CB-CZ3 4.48Å; R192-W248 HydrophobicContact CG-CD2 3.7Å; R192-W248 HydrophobicContact CG-CE3 3.85Å; R192-W248 HydrophobicContact CG-CG 4.2Å; R192-W248 HydrophobicContact CG-CH2 4.29Å; R192-W248 HydrophobicContact CG-CZ2 4.13Å; R192-W248 HydrophobicContact CG-CZ3 4.14Å; M195-W248 HydrophobicContact CB-CH2 3.87Å; M195-W248 HydrophobicContact CB-CZ3 3.87Å; M195-W248 HydrophobicContact SD-CH2 4.15Å; Q245-W248 PolarHBondContact O-NE1 2.92Å; L246-W248 HydrophobicContact CD2-CZ2 3.56Å; L246-W248 PolarHBondContact O-N 2.83Å; W248-Q252 VanDerWaalsContact O-CG 3.27Å; W248-Q252 WeakPolarHBondContact O-CG 3.31Å
249	L	98.1	Very high	97.5	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-72.9	-45.8	178.9	-177.4	60.6	0	0	0	110.1	M195 L199 F213 F216 L246 A247 R251 Q252 S253	M195-L249 HydrophobicContact CE-CD1 4.06Å; M195-L249 HydrophobicContact CE-CD2 4.03Å; L199-L249 HydrophobicContact CD1-CD1 3.61Å; F213-L249 HydrophobicContact CD2-CD1 3.71Å; F213-L249 HydrophobicContact CE2-CD1 3.91Å; F216-L249 HydrophobicContact CD1-CD2 3.79Å; F216-L249 HydrophobicContact CE1-CD2 4.18Å; F216-L249 HydrophobicContact CG-CD2 4.16Å; L246-L249 HydrophobicContact CB-CB 4.3Å; L246-L249 WeakPolarHBondContact O-CA 3.24Å; L246-L249 VanDerWaalsContact O-CB 3.31Å; L246-L249 WeakPolarHBondContact O-CB 3.49Å; L246-L249 PolarHBondContact O-N 3.02Å; A247-L249 VanDerWaalsContact C-N 3.32Å; A247-L249 PolarHBondContact O-N 2.96Å; L249-R251 VanDerWaalsContact C-N 3.32Å; L249-R251 PolarHBondContact O-N 2.64Å; L249-Q252 PolarHBondContact O-N 2.67Å; L249-Q252 VanDerWaalsContact O-N 3.16Å; L249-S253 PolarHBondContact O-N 2.94Å; L249-S253 VanDerWaalsContact O-N 3.09Å; L249-S253 PolarHBondContact O-OG 3.02Å
250	W	97.3	Very high	97.6	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.011	16%	0.163	C	C	.	.	H	α-helix	trans	-61.4	-42.8	-178.8	-41.5	141.9	0	0	0	111.5	F216 P217 N243 L246 A247 Q252 S253 L256 V286 Y290 T292	F216-W250 HydrophobicContact CB-CH2 4.22Å; F216-W250 HydrophobicContact CB-CZ3 3.92Å; F216-W250 AromaticContact CD1-CH2 3.96Å; F216-W250 HydrophobicContact CD1-CH2 3.96Å; F216-W250 HydrophobicContact CD1-CZ3 4.3Å; P217-W250 HydrophobicContact CB-CH2 3.83Å; P217-W250 HydrophobicContact CB-CZ2 4.24Å; P217-W250 HydrophobicContact CB-CZ3 4.47Å; N243-W250 HydrophobicContact CB-CZ2 4.04Å; N243-W250 PolarHBondContact O-NE1 2.99Å; L246-W250 HydrophobicContact CB-CH2 4.11Å; L246-W250 HydrophobicContact CB-CZ2 3.43Å; L246-W250 VanDerWaalsContact CB-CZ2 3.43Å; L246-W250 HydrophobicContact CD1-CH2 4.07Å; L246-W250 HydrophobicContact CD1-CZ2 3.97Å; L246-W250 HydrophobicContact CG-CZ2 4.33Å; L246-W250 PolarHBondContact O-N 3.42Å; L246-W250 PolarHBondContact O-NE1 3.12Å; A247-W250 VanDerWaalsContact CA-CD1 3.47Å; W250-Q252 PolarHBondContact O-N 3.05Å; W250-S253 PolarHBondContact O-N 3.14Å; W250-L256 HydrophobicContact CE3-CD2 4.1Å; W250-V286 HydrophobicContact CD2-CB 4.45Å; W250-V286 HydrophobicContact CD2-CG2 4.43Å; W250-V286 HydrophobicContact CG-CB 4.35Å; W250-Y290 HydrophobicContact CB-CD2 4.44Å; W250-Y290 HydrophobicContact CB-CG 4.35Å; W250-Y290 AromaticContact CD1-CD2 3.42Å; W250-Y290 VanDerWaalsContact CD1-CD2 3.42Å; W250-Y290 AromaticContact CD1-CE2 3.82Å; W250-Y290 AromaticContact CD1-CG 3.94Å; W250-Y290 HydrophobicContact CG-CD2 4.25Å; W250-T292 WeakPolarHBondContact O-CG2 3.23Å
251	R	95.1	Very high	97.7	Very high	145 Å²	145	30.7 Å²	30.7	55%	0.547	14%	0.142	S	C	.	.	H	α-helix	trans	-66.3	-22.5	178.8	-72.6	-177.5	-168.4	121.9	-2.6	114.2	A247 L249 T292	A247-R251 WeakPolarHBondContact O-CB 3.46Å; A247-R251 VanDerWaalsContact O-CG 3.29Å; A247-R251 WeakPolarHBondContact O-CG 3.38Å; A247-R251 PolarHBondContact O-N 2.65Å; A247-R251 VanDerWaalsContact O-N 3.14Å; L249-R251 VanDerWaalsContact C-N 3.32Å; L249-R251 PolarHBondContact O-N 2.64Å; R251-T292 WeakPolarHBondContact O-CG2 3.43Å
252	Q	95.8	Very high	97.7	Very high	61 Å²	61	25.3 Å²	25.3	29%	0.285	12%	0.117	S	C	.	.	H	α-helix	trans	-95	-12.7	176.6	-62.8	-70.3	33.3	0	0	113	L199 W248 L249 W250	L199-Q252 HydrophobicContact CB-CB 4.27Å; L199-Q252 HydrophobicContact CD1-CB 4.18Å; W248-Q252 VanDerWaalsContact O-CG 3.27Å; W248-Q252 WeakPolarHBondContact O-CG 3.31Å; L249-Q252 PolarHBondContact O-N 2.67Å; L249-Q252 VanDerWaalsContact O-N 3.16Å; W250-Q252 PolarHBondContact O-N 3.05Å
253	S	97.7	Very high	97.6	Very high	3 Å²	3	24.7 Å²	24.7	2%	0.021	12%	0.119	C	C	.	.			trans	-86	132.2	-178.4	-58.1	0	0	0	0	110.9	L249 W250 T292	L249-S253 PolarHBondContact O-N 2.94Å; L249-S253 VanDerWaalsContact O-N 3.09Å; L249-S253 PolarHBondContact O-OG 3.02Å; W250-S253 PolarHBondContact O-N 3.14Å; S253-T292 WeakPolarHBondContact O-CG2 3.37Å
254	T	97.3	Very high	97.5	Very high	31 Å²	31	29.5 Å²	29.5	19%	0.19	14%	0.139	C	C	.	.	S	Bend	trans	-97.1	-3.7	172.1	63.4	0	0	0	0	112.6	V203 G209 L210 W211 P298	V203-T254 HydrophobicContact CG1-CG2 4.47Å; V203-T254 HydrophobicContact CG2-CG2 3.84Å; G209-T254 PolarHBondContact O-OG1 2.74Å; L210-T254 WeakPolarHBondContact CA-OG1 3.4Å; W211-T254 PolarHBondContact N-OG1 3.26Å; W211-T254 PolarHBondContact O-N 3.49Å; T254-P298 VanDerWaalsContact O-CD 3.25Å; T254-P298 WeakPolarHBondContact O-CD 3.31Å; T254-P298 VanDerWaalsContact O-CG 3.31Å; T254-P298 WeakPolarHBondContact O-CG 3.34Å
255	A	98.1	Very high	97.3	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.151	C	C	.	.	S	Bend	trans	-152.8	157.2	164.3	0	0	0	0	0	111.6	L210 W211 Y257 P298 L300	L210-A255 HydrophobicContact CB-CB 3.78Å; L210-A255 HydrophobicContact CD2-CB 4.47Å; W211-A255 PolarHBondContact O-N 2.76Å; A255-Y257 HydrophobicContact CB-CE1 4.3Å; A255-Y257 HydrophobicContact CB-CE2 3.77Å; A255-Y257 WeakPolarHBondContact CB-OH 3.41Å; A255-P298 WeakPolarHBondContact CA-O 3.47Å; A255-P298 HydrophobicContact CB-CG 4.15Å; A255-L300 HydrophobicContact CB-CD1 4.32Å
256	L	98.8	Very high	97.1	Very high	5 Å²	5	28.9 Å²	28.9	3%	0.026	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-113.4	138.3	174.6	-58.1	-177.9	0	0	0	111.5	W250 P258 V286 A287 T297 P298 V299 L300	W250-L256 HydrophobicContact CE3-CD2 4.1Å; L256-P258 VanDerWaalsContact C-CD 3.48Å; L256-P258 WeakPolarHBondContact O-CD 3.26Å; L256-V286 HydrophobicContact CD1-CG2 3.61Å; L256-A287 HydrophobicContact CD1-CB 3.85Å; L256-T297 HydrophobicContact CD2-CG2 4.43Å; L256-T297 HydrophobicContact CG-CG2 3.97Å; L256-P298 PolarHBondContact N-O 3.47Å; L256-V299 HydrophobicContact CB-CG1 4.49Å; L256-V299 HydrophobicContact CB-CG2 4.35Å; L256-V299 HydrophobicContact CD1-CG2 4.35Å; L256-L300 PolarHBondContact O-N 3.48Å
257	Y	98.9	Very high	97	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-127.2	60.4	-171	-60.7	-71.2	0	0	0	112.6	L137 V139 L210 S215 F216 A255 L300 Y302 V335	L137-Y257 HydrophobicContact CD2-CE1 3.78Å; L137-Y257 HydrophobicContact CG-CE1 4.06Å; L137-Y257 WeakPolarHBondContact CG-OH 3.49Å; V139-Y257 HydrophobicContact CG1-CD2 4.24Å; V139-Y257 HydrophobicContact CG1-CG 4.37Å; V139-Y257 HydrophobicContact CG2-CD1 4.02Å; V139-Y257 HydrophobicContact CG2-CD2 3.96Å; V139-Y257 HydrophobicContact CG2-CE1 3.79Å; V139-Y257 HydrophobicContact CG2-CE2 3.71Å; V139-Y257 HydrophobicContact CG2-CG 4.11Å; L210-Y257 WeakPolarHBondContact CB-OH 3.05Å; L210-Y257 PolarHBondContact O-OH 2.9Å; S215-Y257 WeakPolarHBondContact CA-O 3.38Å; S215-Y257 PolarHBondContact N-O 2.85Å; F216-Y257 CarbonylContact O-C 3.47Å; F216-Y257 PolarHBondContact O-N 2.9Å; A255-Y257 HydrophobicContact CB-CE1 4.3Å; A255-Y257 HydrophobicContact CB-CE2 3.77Å; A255-Y257 WeakPolarHBondContact CB-OH 3.41Å; Y257-L300 HydrophobicContact CD1-CB 4.06Å; Y257-L300 WeakPolarHBondContact CD1-O 3.3Å; Y257-L300 HydrophobicContact CE1-CB 3.91Å; Y257-Y302 HydrophobicContact CD1-CD2 4.2Å; Y257-Y302 AromaticContact CD1-CE2 3.91Å; Y257-Y302 HydrophobicContact CD1-CE2 3.91Å; Y257-Y302 HydrophobicContact CG-CD2 4.46Å; Y257-Y302 HydrophobicContact CG-CE2 4.19Å; Y257-V335 HydrophobicContact CD1-CG2 4.34Å; Y257-V335 HydrophobicContact CE1-CG2 4.41Å
258	P	98.7	Very high	96.8	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.006	17%	0.167	C	C	.	.			trans	-64.8	140.5	179.2	30.6	-37.2	0	0	0	110.9	L256 A283 V299 P301 Y302	L256-P258 VanDerWaalsContact C-CD 3.48Å; L256-P258 WeakPolarHBondContact O-CD 3.26Å; P258-A283 HydrophobicContact CB-CB 4.24Å; P258-A283 HydrophobicContact CG-CB 3.74Å; P258-V299 HydrophobicContact CG-CG1 4Å; P258-P301 HydrophobicContact CG-CB 4.1Å; P258-P301 CarbonylContact O-C 3.58Å; P258-P301 VanDerWaalsContact O-CA 3.23Å; P258-P301 WeakPolarHBondContact O-CA 3.4Å; P258-Y302 PolarHBondContact O-N 2.94Å
259	S	98.5	Very high	96.6	Very high	17 Å²	17	33.3 Å²	33.3	12%	0.119	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-81.4	127.4	174.1	176.8	0	0	0	0	110.5	Y214 R279	Y214-S259 PolarHBondContact OH-OG 2.61Å; S259-R279 WeakPolarHBondContact O-CD 3.49Å; S259-R279 PolarHBondContact O-NH1 2.88Å
260	I	98.4	Very high	96.3	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.202	C	C	.	.			trans	-117.6	24.9	175.5	63.4	168.4	0	0	0	112.3	L262 V276 R279 L280 P301 Y302 A303	I260-L262 PolarHBondContact O-N 3.3Å; I260-V276 HydrophobicContact CB-CG1 4.23Å; I260-V276 HydrophobicContact CB-CG2 4.29Å; I260-V276 HydrophobicContact CD1-CG1 3.95Å; I260-V276 HydrophobicContact CG2-CG1 4.24Å; I260-R279 HydrophobicContact CG2-CB 4.03Å; I260-L280 HydrophobicContact CG2-CD2 3.98Å; I260-L280 HydrophobicContact CG2-CG 4.35Å; I260-P301 HydrophobicContact CD1-CB 3.78Å; I260-P301 HydrophobicContact CD1-CG 4.13Å; I260-P301 HydrophobicContact CG1-CB 3.93Å; I260-P301 HydrophobicContact CG2-CB 4.02Å; I260-Y302 VanDerWaalsContact CG1-O 3.24Å; I260-Y302 WeakPolarHBondContact CG1-O 3.42Å; I260-Y302 PolarHBondContact N-O 3.34Å; I260-A303 HydrophobicContact CD1-CB 4.12Å; I260-A303 HydrophobicContact CG1-CB 4.02Å
261	Y	98	Very high	96.2	Very high	26 Å²	26	38 Å²	38	10%	0.102	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-54.9	127	-179.6	-63.1	-7.6	0	0	0	111.6	Y214 P263 Y302 R304 W337	Y214-Y261 WeakPolarHBondContact OH-CE2 3.24Å; Y261-P263 WeakPolarHBondContact O-CD 3.36Å; Y261-Y302 WeakPolarHBondContact CD1-O 3.11Å; Y261-Y302 WeakPolarHBondContact CE1-O 3.1Å; Y261-Y302 WeakPolarHBondContact OH-CD1 3.47Å; Y261-R304 HydrophobicContact CD1-CB 4.37Å; Y261-R304 HydrophobicContact CD1-CG 3.67Å; Y261-R304 HydrophobicContact CD2-CG 4.23Å; Y261-R304 HydrophobicContact CE1-CG 3.68Å; Y261-R304 HydrophobicContact CE2-CG 4.25Å; Y261-R304 HydrophobicContact CG-CG 3.96Å; Y261-W337 AromaticContact CE2-CE3 3.9Å; Y261-W337 HydrophobicContact CE2-CE3 3.9Å; Y261-W337 HydrophobicContact CE2-CZ3 4.06Å; Y261-W337 AromaticContact CZ-CE3 3.62Å; Y261-W337 WeakPolarHBondContact OH-CB 3.27Å; Y261-W337 VanDerWaalsContact OH-CD2 3.31Å
262	L	96.7	Very high	96.2	Very high	4 Å²	4	31.1 Å²	31.1	2%	0.021	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-89	119.2	-174.1	-173.2	60.5	0	0	0	110.7	I260 L266 A272 L275 F307 A308 L314 D318 T322	I260-L262 PolarHBondContact O-N 3.3Å; L262-L266 HydrophobicContact CD1-CB 3.81Å; L262-L266 HydrophobicContact CD1-CD1 4.07Å; L262-A272 HydrophobicContact CD1-CB 3.48Å; L262-A272 VanDerWaalsContact CD1-CB 3.48Å; L262-A272 HydrophobicContact CD2-CB 4.13Å; L262-A272 HydrophobicContact CG-CB 4.45Å; L262-L275 HydrophobicContact CD1-CD2 4.33Å; L262-F307 HydrophobicContact CB-CD1 4.34Å; L262-F307 HydrophobicContact CD2-CD1 4.16Å; L262-F307 HydrophobicContact CD2-CE1 3.72Å; L262-F307 HydrophobicContact CG-CD1 4.02Å; L262-F307 HydrophobicContact CG-CE1 4.03Å; L262-F307 CarbonylContact O-C 3.59Å; L262-F307 VanDerWaalsContact O-CA 3.31Å; L262-F307 WeakPolarHBondContact O-CA 3.16Å; L262-A308 PolarHBondContact O-N 3.37Å; L262-L314 HydrophobicContact CD2-CD2 4.32Å; L262-D318 HydrophobicContact CD2-CB 4.06Å; L262-T322 HydrophobicContact CB-CG2 4.24Å; L262-T322 HydrophobicContact CD2-CG2 4.31Å
263	P	95.6	Very high	96.2	Very high	37 Å²	37	28.9 Å²	28.9	24%	0.24	17%	0.17	C	C	.	.	P	Polyproline II helix	trans	-69.5	141.3	174.4	-20.3	34.4	0	0	0	111.7	Y261 R265 L266	Y261-P263 WeakPolarHBondContact O-CD 3.36Å; P263-R265 HydrophobicContact CB-CG 4.11Å; P263-R265 PolarHBondContact O-N 3.27Å; P263-L266 PolarHBondContact O-N 2.76Å
264	K	95.4	Very high	96.1	Very high	100 Å²	100	30.6 Å²	30.6	44%	0.435	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-54.4	-29.4	-179	-171.2	173.3	177.4	179.5	0	114.6	L266 A267 F307 T310 H312	K264-L266 PolarHBondContact O-N 2.98Å; K264-L266 VanDerWaalsContact O-N 3.12Å; K264-A267 WeakPolarHBondContact O-CB 3.31Å; K264-A267 PolarHBondContact O-N 2.89Å; K264-F307 HydrophobicContact CB-CB 3.81Å; K264-F307 HydrophobicContact CB-CD1 4.39Å; K264-F307 HydrophobicContact CB-CD2 4.41Å; K264-F307 HydrophobicContact CB-CG 3.96Å; K264-F307 HydrophobicContact CG-CB 4.4Å; K264-F307 HydrophobicContact CG-CD2 4.16Å; K264-F307 HydrophobicContact CG-CG 4.22Å; K264-T310 HydrophobicContact CD-CG2 4.34Å; K264-H312 PolarHBondContact NZ-CE1 2.88Å; K264-H312 PolarHBondContact NZ-ND1 3.37Å; K264-H312 VanDerWaalsContact NZ-ND1 3.17Å; K264-H312 PolarHBondContact NZ-NE2 3.01Å
265	R	93.3	Very high	96.1	Very high	131 Å²	131	29.2 Å²	29.2	49%	0.494	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-63.8	-12.7	176.1	70.6	178.2	-179.7	86.8	-4.7	114.5	Y222 P263	Y222-R265 PolarHBondContact O-NH2 3.13Å; P263-R265 HydrophobicContact CB-CG 4.11Å; P263-R265 PolarHBondContact O-N 3.27Å
266	L	94.4	Very high	96.1	Very high	3 Å²	3	29.2 Å²	29.2	2%	0.016	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-105.7	7.3	179.7	-61.7	-174.3	0	0	0	112.7	L262 P263 K264 G268 S269 D271 A272 L275	L262-L266 HydrophobicContact CD1-CB 3.81Å; L262-L266 HydrophobicContact CD1-CD1 4.07Å; P263-L266 PolarHBondContact O-N 2.76Å; K264-L266 PolarHBondContact O-N 2.98Å; K264-L266 VanDerWaalsContact O-N 3.12Å; L266-G268 PolarHBondContact O-N 3.23Å; L266-S269 WeakPolarHBondContact O-CB 3.32Å; L266-S269 PolarHBondContact O-N 2.79Å; L266-D271 HydrophobicContact CD2-CB 3.87Å; L266-A272 HydrophobicContact CB-CB 4.19Å; L266-L275 HydrophobicContact CD1-CB 4.3Å; L266-L275 HydrophobicContact CD1-CD2 3.84Å
267	A	96.1	Very high	96.1	Very high	52 Å²	52	29.2 Å²	29.2	43%	0.43	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	124	178.2	0	0	0	0	0	111.6	K264 S269 F307 D318	K264-A267 WeakPolarHBondContact O-CB 3.31Å; K264-A267 PolarHBondContact O-N 2.89Å; A267-S269 PolarHBondContact O-N 3.37Å; A267-F307 HydrophobicContact CB-CE1 3.69Å; A267-F307 HydrophobicContact CB-CE2 4.03Å; A267-F307 HydrophobicContact CB-CZ 3.25Å; A267-D318 WeakPolarHBondContact CA-OD1 3.44Å
268	G	93.7	Very high	96.1	Very high	44 Å²	44	29.9 Å²	29.9	45%	0.454	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.2	3.2	-179.8	0	0	0	0	0	115.8	L266 D318	L266-G268 PolarHBondContact O-N 3.23Å; G268-D318 PolarHBondContact N-OD1 3.44Å
269	S	93.6	Very high	96	Very high	37 Å²	37	31.5 Å²	31.5	26%	0.259	18%	0.179	S	C	.	.			trans	-88.8	139.8	-177.5	-175.9	0	0	0	0	111.3	L266 A267 D271 A272 H321	L266-S269 WeakPolarHBondContact O-CB 3.32Å; L266-S269 PolarHBondContact O-N 2.79Å; A267-S269 PolarHBondContact O-N 3.37Å; S269-D271 PolarHBondContact O-N 3.47Å; S269-D271 VanDerWaalsContact O-N 3.15Å; S269-D271 PolarHBondContact OG-N 2.82Å; S269-A272 WeakPolarHBondContact O-CB 3.31Å; S269-A272 PolarHBondContact O-N 2.83Å; S269-H321 PolarHBondContact O-CE1 3.27Å; S269-H321 VanDerWaalsContact O-CE1 3.31Å; S269-H321 PolarHBondContact O-ND1 2.7Å
270	S	91.4	Very high	96.1	Very high	83 Å²	83	30.7 Å²	30.7	58%	0.58	17%	0.173	S	C	*	.	H	α-helix	trans	-60.8	-20.5	171	54.8	0	0	0	0	113.5	A272 T273 L274	S270-A272 PolarHBondContact O-N 3.36Å; S270-T273 WeakPolarHBondContact O-CB 3.2Å; S270-T273 PolarHBondContact O-N 2.97Å; S270-L274 PolarHBondContact O-N 2.83Å
271	D	94.6	Very high	96	Very high	19 Å²	19	32 Å²	32	10%	0.102	18%	0.18	C	C	.	.	H	α-helix	trans	-60.3	-27.8	170.7	-70.8	-16.8	0	0	0	112	K225 Y231 L266 S269 L274 L275	K225-D271 WeakPolarHBondContact CE-OD2 3.27Å; K225-D271 IonicContact NZ-OD1 3.36Å; K225-D271 PolarHBondContact NZ-OD1 3.48Å; K225-D271 IonicContact NZ-OD2 2.78Å; K225-D271 PolarHBondContact NZ-OD2 2.74Å; Y231-D271 HydrophobicContact CD1-CB 3.8Å; Y231-D271 HydrophobicContact CE1-CB 4.32Å; L266-D271 HydrophobicContact CD2-CB 3.87Å; S269-D271 PolarHBondContact O-N 3.47Å; S269-D271 VanDerWaalsContact O-N 3.15Å; S269-D271 PolarHBondContact OG-N 2.82Å; D271-L274 PolarHBondContact O-N 3.26Å; D271-L275 PolarHBondContact O-N 2.6Å
272	A	95.8	Very high	96.1	Very high	0 Å²	0	31 Å²	31	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-59.2	-48.4	174.6	0	0	0	0	0	110.9	L262 L266 S269 S270 L274 L275 V276 H321	L262-A272 HydrophobicContact CD1-CB 3.48Å; L262-A272 VanDerWaalsContact CD1-CB 3.48Å; L262-A272 HydrophobicContact CD2-CB 4.13Å; L262-A272 HydrophobicContact CG-CB 4.45Å; L266-A272 HydrophobicContact CB-CB 4.19Å; S269-A272 WeakPolarHBondContact O-CB 3.31Å; S269-A272 PolarHBondContact O-N 2.83Å; S270-A272 PolarHBondContact O-N 3.36Å; A272-L274 VanDerWaalsContact C-N 3.33Å; A272-L274 PolarHBondContact O-N 3.31Å; A272-L275 WeakPolarHBondContact O-CB 3.31Å; A272-L275 PolarHBondContact O-N 3.31Å; A272-V276 WeakPolarHBondContact O-CG2 3.15Å; A272-V276 PolarHBondContact O-N 2.76Å; A272-H321 HydrophobicContact CB-CB 3.9Å
273	T	95.2	Very high	96.2	Very high	13 Å²	13	30.8 Å²	30.8	8%	0.08	18%	0.176	C	C	.	.	H	α-helix	trans	-60.1	-44.4	177.1	-45.7	0	0	0	0	111	S270 L275 V276 R277 H321 E325	S270-T273 WeakPolarHBondContact O-CB 3.2Å; S270-T273 PolarHBondContact O-N 2.97Å; T273-L275 VanDerWaalsContact C-N 3.34Å; T273-L275 PolarHBondContact O-N 2.79Å; T273-V276 PolarHBondContact O-N 3.11Å; T273-R277 WeakPolarHBondContact O-CB 3.42Å; T273-R277 PolarHBondContact O-N 2.96Å; T273-H321 PolarHBondContact OG1-CD2 3.33Å; T273-H321 VanDerWaalsContact OG1-CG 3.24Å; T273-H321 PolarHBondContact OG1-NE2 3.42Å; T273-E325 HydrophobicContact CG2-CG 4.16Å; T273-E325 WeakPolarHBondContact CG2-OE2 3.35Å
274	L	96.1	Very high	96.2	Very high	40 Å²	40	30.2 Å²	30.2	21%	0.209	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-39.6	178.8	-64.6	177.4	0	0	0	112.5	Y231 G233 S270 D271 A272 H278	Y231-L274 HydrophobicContact CD1-CB 4.42Å; Y231-L274 HydrophobicContact CE1-CB 4.24Å; Y231-L274 VanDerWaalsContact O-CD1 3.31Å; Y231-L274 WeakPolarHBondContact O-CD1 3.34Å; G233-L274 WeakPolarHBondContact CA-O 3.17Å; S270-L274 PolarHBondContact O-N 2.83Å; D271-L274 PolarHBondContact O-N 3.26Å; A272-L274 VanDerWaalsContact C-N 3.33Å; A272-L274 PolarHBondContact O-N 3.31Å; L274-H278 PolarHBondContact O-N 3.01Å; L274-H278 PolarHBondContact O-ND1 3.3Å
275	L	97.1	Very high	96.3	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-60.5	-50.4	174.9	177.3	84.5	0	0	0	110.8	N221 Y231 L262 L266 D271 A272 T273 R279	N221-L275 PolarHBondContact ND2-O 3.24Å; N221-L275 WeakPolarHBondContact OD1-CD1 3.39Å; Y231-L275 HydrophobicContact CE1-CB 4.28Å; Y231-L275 WeakPolarHBondContact OH-CD1 3.38Å; L262-L275 HydrophobicContact CD1-CD2 4.33Å; L266-L275 HydrophobicContact CD1-CB 4.3Å; L266-L275 HydrophobicContact CD1-CD2 3.84Å; D271-L275 PolarHBondContact O-N 2.6Å; A272-L275 WeakPolarHBondContact O-CB 3.31Å; A272-L275 PolarHBondContact O-N 3.31Å; T273-L275 VanDerWaalsContact C-N 3.34Å; T273-L275 PolarHBondContact O-N 2.79Å; L275-R279 WeakPolarHBondContact O-CG 2.87Å
276	V	98.2	Very high	96.5	Very high	0 Å²	0	21 Å²	21	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-67.7	-51.4	-177.6	173.2	0	0	0	0	110.3	I260 A272 T273 H278 R279 L280 H321 T322 E325	I260-V276 HydrophobicContact CB-CG1 4.23Å; I260-V276 HydrophobicContact CB-CG2 4.29Å; I260-V276 HydrophobicContact CD1-CG1 3.95Å; I260-V276 HydrophobicContact CG2-CG1 4.24Å; A272-V276 WeakPolarHBondContact O-CG2 3.15Å; A272-V276 PolarHBondContact O-N 2.76Å; T273-V276 PolarHBondContact O-N 3.11Å; V276-H278 PolarHBondContact O-N 3.24Å; V276-R279 WeakPolarHBondContact O-CB 3.49Å; V276-R279 PolarHBondContact O-N 3.18Å; V276-L280 HydrophobicContact CG1-CD1 3.65Å; V276-L280 HydrophobicContact CG1-CG 4.11Å; V276-L280 WeakPolarHBondContact O-CG 3.27Å; V276-L280 PolarHBondContact O-N 3.17Å; V276-H321 WeakPolarHBondContact CB-O 3.09Å; V276-H321 WeakPolarHBondContact CG2-O 3.48Å; V276-T322 HydrophobicContact CG2-CG2 4.08Å; V276-E325 HydrophobicContact CG1-CB 4.22Å; V276-E325 HydrophobicContact CG1-CG 4.14Å
277	R	98.2	Very high	96.6	Very high	6 Å²	6	21 Å²	21	2%	0.023	13%	0.133	C	C	.	.	H	α-helix	trans	-46.8	-54.7	179.3	-179.5	175.2	-60.9	156.3	7	112	T273 R279 L280 L281 E325 L329 Y391 S392 D393	T273-R277 WeakPolarHBondContact O-CB 3.42Å; T273-R277 PolarHBondContact O-N 2.96Å; R277-R279 VanDerWaalsContact C-N 3.32Å; R277-R279 PolarHBondContact O-N 2.89Å; R277-L280 PolarHBondContact O-N 2.94Å; R277-L280 VanDerWaalsContact O-N 3.16Å; R277-L281 HydrophobicContact CG-CD1 3.84Å; R277-L281 HydrophobicContact CG-CG 4.25Å; R277-L281 WeakPolarHBondContact O-CB 3.31Å; R277-L281 VanDerWaalsContact O-CG 3.27Å; R277-L281 WeakPolarHBondContact O-CG 3.35Å; R277-L281 PolarHBondContact O-N 3.13Å; R277-E325 HydrophobicContact CB-CG 4.27Å; R277-E325 WeakPolarHBondContact CB-OE1 3.38Å; R277-E325 WeakPolarHBondContact CG-OE1 3.46Å; R277-E325 IonicContact CZ-OE1 3.71Å; R277-E325 IonicContact NE-OE1 3.24Å; R277-E325 PolarHBondContact NE-OE1 3.2Å; R277-E325 IonicContact NH2-OE1 3.69Å; R277-E325 PolarHBondContact NH2-OE1 2.77Å; R277-E325 IonicContact NH2-OE2 3.45Å; R277-E325 PolarHBondContact NH2-OE2 3.04Å; R277-L329 HydrophobicContact CG-CD1 4.28Å; R277-Y391 PolarHBondContact NH1-O 2.85Å; R277-S392 PolarHBondContact NH2-O 3.38Å; R277-D393 IonicContact CZ-OD1 2.83Å; R277-D393 VanDerWaalsContact CZ-OD1 3.24Å; R277-D393 IonicContact NH1-OD1 3.21Å; R277-D393 PolarHBondContact NH1-OD1 2.8Å; R277-D393 IonicContact NH2-OD1 3.64Å; R277-D393 PolarHBondContact NH2-OD1 3.48Å
278	H	98.2	Very high	96.4	Very high	13 Å²	13	21.8 Å²	21.8	6%	0.06	13%	0.13	C	C	.	.	H	α-helix	trans	-70.2	-26.2	-176	-74.1	87.1	0	0	0	114.2	T232 G233 H234 L274 V276 E282 Y391	T232-H278 PolarHBondContact O-CE1 3.22Å; T232-H278 PolarHBondContact O-ND1 2.81Å; G233-H278 VanDerWaalsContact C-CG 3.43Å; G233-H278 WeakPolarHBondContact O-CB 3.25Å; G233-H278 VanDerWaalsContact O-CG 3.25Å; H234-H278 AromaticContact CD2-NE2 3.78Å; H234-H278 AromaticContact CE1-NE2 3.51Å; H234-H278 AromaticContact CG-CD2 3.99Å; H234-H278 AromaticContact CG-NE2 3.69Å; H234-H278 AromaticContact ND1-NE2 3.52Å; H234-H278 AromaticContact NE2-NE2 3.7Å; L274-H278 PolarHBondContact O-N 3.01Å; L274-H278 PolarHBondContact O-ND1 3.3Å; V276-H278 PolarHBondContact O-N 3.24Å; H278-E282 WeakPolarHBondContact O-CB 3.29Å; H278-E282 PolarHBondContact O-N 3.27Å; H278-E282 VanDerWaalsContact O-N 3.13Å; H278-Y391 AromaticContact NE2-CE1 3.97Å
279	R	98.6	Very high	96.4	Very high	35 Å²	35	24.2 Å²	24.2	13%	0.132	13%	0.13	C	C	.	.	H	α-helix	trans	-67.9	-43.9	170.8	-72.4	170	174.9	-156.4	7.6	110.9	C219 N221 S259 I260 L275 V276 R277 E282 A283	C219-R279 HydrophobicContact CB-CB 4.39Å; C219-R279 HydrophobicContact CB-CG 3.68Å; N221-R279 PolarHBondContact OD1-NE 3.06Å; S259-R279 WeakPolarHBondContact O-CD 3.49Å; S259-R279 PolarHBondContact O-NH1 2.88Å; I260-R279 HydrophobicContact CG2-CB 4.03Å; L275-R279 WeakPolarHBondContact O-CG 2.87Å; V276-R279 WeakPolarHBondContact O-CB 3.49Å; V276-R279 PolarHBondContact O-N 3.18Å; R277-R279 VanDerWaalsContact C-N 3.32Å; R277-R279 PolarHBondContact O-N 2.89Å; R279-E282 PolarHBondContact O-N 2.7Å; R279-A283 PolarHBondContact O-N 3.18Å; R279-A283 VanDerWaalsContact O-N 3.14Å
280	L	98.6	Very high	96.4	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-66.9	-42.3	177.6	-62.1	176.4	0	0	0	111.9	I260 V276 R277 E282 A283 L284 P301 E325 L329 M331	I260-L280 HydrophobicContact CG2-CD2 3.98Å; I260-L280 HydrophobicContact CG2-CG 4.35Å; V276-L280 HydrophobicContact CG1-CD1 3.65Å; V276-L280 HydrophobicContact CG1-CG 4.11Å; V276-L280 WeakPolarHBondContact O-CG 3.27Å; V276-L280 PolarHBondContact O-N 3.17Å; R277-L280 PolarHBondContact O-N 2.94Å; R277-L280 VanDerWaalsContact O-N 3.16Å; L280-E282 VanDerWaalsContact C-N 3.32Å; L280-E282 PolarHBondContact O-N 3.45Å; L280-A283 WeakPolarHBondContact O-CB 3.39Å; L280-A283 PolarHBondContact O-N 2.99Å; L280-L284 PolarHBondContact O-N 3.33Å; L280-P301 HydrophobicContact CD2-CB 3.66Å; L280-P301 HydrophobicContact CD2-CG 3.63Å; L280-E325 HydrophobicContact CD1-CG 4.22Å; L280-L329 HydrophobicContact CB-CD1 3.75Å; L280-L329 HydrophobicContact CD1-CD1 3.85Å; L280-L329 HydrophobicContact CG-CD1 4.47Å; L280-M331 HydrophobicContact CB-CE 4.02Å; L280-M331 HydrophobicContact CB-SD 4.37Å; L280-M331 HydrophobicContact CD2-CG 4.04Å; L280-M331 HydrophobicContact CD2-SD 3.94Å
281	L	98.3	Very high	96.1	Very high	28 Å²	28	22.3 Å²	22.3	15%	0.147	11%	0.111	C	C	.	.	H	α-helix	trans	-63.7	-37.1	177	-68.1	179.2	0	0	0	112.2	R277 L284 R285 L329 P390 Y391	R277-L281 HydrophobicContact CG-CD1 3.84Å; R277-L281 HydrophobicContact CG-CG 4.25Å; R277-L281 WeakPolarHBondContact O-CB 3.31Å; R277-L281 VanDerWaalsContact O-CG 3.27Å; R277-L281 WeakPolarHBondContact O-CG 3.35Å; R277-L281 PolarHBondContact O-N 3.13Å; L281-L284 HydrophobicContact CD2-CD1 4.43Å; L281-R285 WeakPolarHBondContact O-CB 3.43Å; L281-R285 PolarHBondContact O-N 3.01Å; L281-L329 HydrophobicContact CD2-CD1 4.21Å; L281-L329 HydrophobicContact CD2-CD2 3.99Å; L281-L329 HydrophobicContact CG-CD1 4.38Å; L281-P390 HydrophobicContact CD1-CB 4.49Å; L281-P390 HydrophobicContact CD2-CB 3.61Å; L281-Y391 HydrophobicContact CD1-CD1 4.01Å; L281-Y391 HydrophobicContact CD1-CE1 3.51Å
282	E	98.6	Very high	95	Very high	5 Å²	5	24 Å²	24	2%	0.023	12%	0.122	C	C	.	.	H	α-helix	trans	-67.7	-37.6	174.3	179.1	59.3	179	0	0	112.1	P217 R240 N243 H278 R279 L280 R285 V286	P217-E282 HydrophobicContact CB-CG 4.33Å; P217-E282 HydrophobicContact CG-CG 4.18Å; R240-E282 WeakPolarHBondContact CG-OE2 3.34Å; N243-E282 WeakPolarHBondContact CB-OE1 3.4Å; N243-E282 PolarHBondContact ND2-OE1 3.12Å; H278-E282 WeakPolarHBondContact O-CB 3.29Å; H278-E282 PolarHBondContact O-N 3.27Å; H278-E282 VanDerWaalsContact O-N 3.13Å; R279-E282 PolarHBondContact O-N 2.7Å; L280-E282 VanDerWaalsContact C-N 3.32Å; L280-E282 PolarHBondContact O-N 3.45Å; E282-R285 PolarHBondContact O-N 2.6Å; E282-R285 IonicContact OE1-CZ 3.31Å; E282-R285 IonicContact OE1-NE 3.69Å; E282-R285 IonicContact OE1-NH2 3.53Å; E282-R285 PolarHBondContact OE1-NH2 2.82Å; E282-R285 IonicContact OE2-CZ 3.73Å; E282-R285 IonicContact OE2-NE 2.98Å; E282-R285 PolarHBondContact OE2-NE 3.24Å; E282-R285 IonicContact OE2-NH2 3.13Å; E282-V286 PolarHBondContact O-N 3.34Å; E282-V286 VanDerWaalsContact O-N 3.15Å
283	A	98.4	Very high	94	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-64.7	-45.5	174.2	0	0	0	0	0	112.4	P217 P258 R279 L280 R285 V286 A287 V299	P217-A283 HydrophobicContact CG-CB 3.96Å; P258-A283 HydrophobicContact CB-CB 4.24Å; P258-A283 HydrophobicContact CG-CB 3.74Å; R279-A283 PolarHBondContact O-N 3.18Å; R279-A283 VanDerWaalsContact O-N 3.14Å; L280-A283 WeakPolarHBondContact O-CB 3.39Å; L280-A283 PolarHBondContact O-N 2.99Å; A283-R285 VanDerWaalsContact C-N 3.32Å; A283-R285 PolarHBondContact O-N 3.23Å; A283-V286 WeakPolarHBondContact O-CG2 3.3Å; A283-V286 PolarHBondContact O-N 3.12Å; A283-A287 VanDerWaalsContact O-CB 3.29Å; A283-A287 WeakPolarHBondContact O-CB 3.42Å; A283-A287 PolarHBondContact O-N 3.34Å; A283-V299 HydrophobicContact CB-CG1 3.66Å; A283-V299 HydrophobicContact CB-CG2 4.37Å
284	L	97.3	Very high	93.3	Very high	25 Å²	25	30.7 Å²	30.7	13%	0.131	17%	0.165	C	C	.	.	H	α-helix	trans	-61.1	-41.1	173.7	-73.8	175.7	0	0	0	112.1	L280 L281 V286 A287 N288 V299 L329 M331	L280-L284 PolarHBondContact O-N 3.33Å; L281-L284 HydrophobicContact CD2-CD1 4.43Å; L284-V286 PolarHBondContact O-N 2.9Å; L284-A287 PolarHBondContact O-N 3.35Å; L284-N288 WeakPolarHBondContact O-CB 3.34Å; L284-N288 VanDerWaalsContact O-CG 3.26Å; L284-N288 PolarHBondContact O-N 2.9Å; L284-N288 PolarHBondContact O-ND2 3.14Å; L284-V299 HydrophobicContact CD2-CG2 4.25Å; L284-L329 HydrophobicContact CD1-CB 4.45Å; L284-M331 HydrophobicContact CD1-CE 3.35Å; L284-M331 HydrophobicContact CD2-CE 3.64Å; L284-M331 HydrophobicContact CD2-SD 4.27Å; L284-M331 HydrophobicContact CG-CE 3.41Å; L284-M331 VanDerWaalsContact CG-CE 3.41Å; L284-M331 HydrophobicContact CG-SD 4.33Å
285	R	97.1	Very high	92.7	Very high	38 Å²	38	30.6 Å²	30.6	14%	0.143	16%	0.163	C	C	.	.	H	α-helix	trans	-58.1	-51.5	179.1	-173.6	-167.6	68.7	85.9	-2.3	111	R240 D244 L281 E282 A283 N288 Q289	R240-R285 PolarHBondContact O-NH2 3.39Å; D244-R285 IonicContact OD1-CZ 3.73Å; D244-R285 VanDerWaalsContact OD1-CZ 3.24Å; D244-R285 IonicContact OD1-NH1 3.9Å; D244-R285 PolarHBondContact OD1-NH1 3.42Å; D244-R285 IonicContact OD1-NH2 3.79Å; D244-R285 PolarHBondContact OD1-NH2 2.96Å; D244-R285 IonicContact OD2-NH1 3.5Å; L281-R285 WeakPolarHBondContact O-CB 3.43Å; L281-R285 PolarHBondContact O-N 3.01Å; E282-R285 PolarHBondContact O-N 2.6Å; E282-R285 IonicContact OE1-CZ 3.31Å; E282-R285 IonicContact OE1-NE 3.69Å; E282-R285 IonicContact OE1-NH2 3.53Å; E282-R285 PolarHBondContact OE1-NH2 2.82Å; E282-R285 IonicContact OE2-CZ 3.73Å; E282-R285 IonicContact OE2-NE 2.98Å; E282-R285 PolarHBondContact OE2-NE 3.24Å; E282-R285 IonicContact OE2-NH2 3.13Å; A283-R285 VanDerWaalsContact C-N 3.32Å; A283-R285 PolarHBondContact O-N 3.23Å; R285-N288 PolarHBondContact O-N 3.41Å; R285-Q289 WeakPolarHBondContact O-CB 3.24Å; R285-Q289 PolarHBondContact O-N 3.16Å
286	V	97.4	Very high	92.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-70.4	-34.2	-179.5	-58	0	0	0	0	112	P217 N243 W250 L256 E282 A283 L284 N288 Q289 Y290	P217-V286 HydrophobicContact CB-CG2 4.36Å; P217-V286 HydrophobicContact CG-CG2 3.76Å; N243-V286 HydrophobicContact CB-CG1 4.25Å; W250-V286 HydrophobicContact CD2-CB 4.45Å; W250-V286 HydrophobicContact CD2-CG2 4.43Å; W250-V286 HydrophobicContact CG-CB 4.35Å; L256-V286 HydrophobicContact CD1-CG2 3.61Å; E282-V286 PolarHBondContact O-N 3.34Å; E282-V286 VanDerWaalsContact O-N 3.15Å; A283-V286 WeakPolarHBondContact O-CG2 3.3Å; A283-V286 PolarHBondContact O-N 3.12Å; L284-V286 PolarHBondContact O-N 2.9Å; V286-N288 VanDerWaalsContact C-N 3.34Å; V286-N288 PolarHBondContact O-N 3.1Å; V286-Q289 PolarHBondContact O-N 3.17Å; V286-Y290 HydrophobicContact CB-CD2 4.35Å; V286-Y290 WeakPolarHBondContact O-CD2 3.17Å; V286-Y290 PolarHBondContact O-N 2.61Å
287	A	95.8	Very high	92.2	Very high	1 Å²	1	31 Å²	31	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-61.9	-39.8	175.6	0	0	0	0	0	112.9	L256 A283 L284 T297 V299	L256-A287 HydrophobicContact CD1-CB 3.85Å; A283-A287 VanDerWaalsContact O-CB 3.29Å; A283-A287 WeakPolarHBondContact O-CB 3.42Å; A283-A287 PolarHBondContact O-N 3.34Å; L284-A287 PolarHBondContact O-N 3.35Å; A287-T297 WeakPolarHBondContact CB-O 3.46Å; A287-V299 HydrophobicContact CB-CG2 3.94Å
288	N	92.5	Very high	92.1	Very high	69 Å²	69	31.3 Å²	31.3	37%	0.369	17%	0.169	S	C	.	.	H	α-helix	trans	-80.3	-33.1	179.4	-68.8	-24.7	0	0	0	112.5	L284 R285 V286 A296	L284-N288 WeakPolarHBondContact O-CB 3.34Å; L284-N288 VanDerWaalsContact O-CG 3.26Å; L284-N288 PolarHBondContact O-N 2.9Å; L284-N288 PolarHBondContact O-ND2 3.14Å; R285-N288 PolarHBondContact O-N 3.41Å; V286-N288 VanDerWaalsContact C-N 3.34Å; V286-N288 PolarHBondContact O-N 3.1Å; N288-A296 VanDerWaalsContact OD1-CB 3.23Å; N288-A296 WeakPolarHBondContact OD1-CB 3.36Å
289	Q	94.1	Very high	92.1	Very high	96 Å²	96	30.9 Å²	30.9	45%	0.449	17%	0.168	S	C	.	.	H	α-helix	trans	-78.7	-27	-178.1	-174.3	173.8	-3	0	0	113.1	R285 V286 P291	R285-Q289 WeakPolarHBondContact O-CB 3.24Å; R285-Q289 PolarHBondContact O-N 3.16Å; V286-Q289 PolarHBondContact O-N 3.17Å; Q289-P291 VanDerWaalsContact C-CD 3.46Å
290	Y	92.6	Very high	92.1	Very high	27 Å²	27	29.2 Å²	29.2	11%	0.106	16%	0.161	C	C	.	.	S	Bend	trans	-129.8	59.9	-176.6	-55	-78	0	0	0	111.8	A247 W250 V286	A247-Y290 HydrophobicContact CB-CD1 3.8Å; A247-Y290 HydrophobicContact CB-CE1 3.46Å; A247-Y290 VanDerWaalsContact CB-CE1 3.46Å; A247-Y290 HydrophobicContact CB-CG 4.48Å; W250-Y290 HydrophobicContact CB-CD2 4.44Å; W250-Y290 HydrophobicContact CB-CG 4.35Å; W250-Y290 AromaticContact CD1-CD2 3.42Å; W250-Y290 VanDerWaalsContact CD1-CD2 3.42Å; W250-Y290 AromaticContact CD1-CE2 3.82Å; W250-Y290 AromaticContact CD1-CG 3.94Å; W250-Y290 HydrophobicContact CG-CD2 4.25Å; V286-Y290 HydrophobicContact CB-CD2 4.35Å; V286-Y290 WeakPolarHBondContact O-CD2 3.17Å; V286-Y290 PolarHBondContact O-N 2.61Å
291	P	85.3	Confident	92.1	Very high	52 Å²	52	29.2 Å²	29.2	34%	0.338	16%	0.161	S	C	.	.			trans	-65.4	143.1	-179.8	29.7	-34.8	0	0	0	110.9	V33 Q289 H295	V33-P291 HydrophobicContact CG1-CB 4.44Å; Q289-P291 VanDerWaalsContact C-CD 3.46Å; P291-H295 WeakPolarHBondContact CB-O 3.29Å
292	T	72	Confident	92.1	Very high	55 Å²	55	27.9 Å²	27.9	34%	0.337	15%	0.154	S	C	.	.	S	Bend	trans	-89.3	-13.8	176.6	56.7	0	0	0	0	113.3	W250 R251 S253	W250-T292 WeakPolarHBondContact O-CG2 3.23Å; R251-T292 WeakPolarHBondContact O-CG2 3.43Å; S253-T292 WeakPolarHBondContact O-CG2 3.37Å
293	S	75	Confident	92.1	Very high	52 Å²	52	27.7 Å²	27.7	36%	0.364	15%	0.154	S	C	.	.	S	Bend	trans	-144.2	-162.5	-176.9	77.1	0	0	0	0	110.2	H295	S293-H295 PolarHBondContact O-N 3.23Å; S293-H295 VanDerWaalsContact O-N 3.14Å; S293-H295 PolarHBondContact OG-CD2 3.02Å; S293-H295 PolarHBondContact OG-CE1 2.91Å; S293-H295 PolarHBondContact OG-N 3.12Å; S293-H295 VanDerWaalsContact OG-N 3.1Å; S293-H295 PolarHBondContact OG-ND1 2.83Å; S293-H295 PolarHBondContact OG-NE2 3.45Å; S293-H295 PolarHBondContact OG-O 3.47Å
294	T	79.4	Confident	92.1	Very high	101 Å²	101	28.1 Å²	28.1	62%	0.62	16%	0.155	S	C	*	.	S	Bend	trans	-70.9	4.7	170.7	61.2	0	0	0	0	113.7	Q426	T294-Q426 PolarHBondContact OG1-NE2 3.2Å
295	H	84.3	Confident	92.1	Very high	38 Å²	38	26.9 Å²	26.9	18%	0.176	15%	0.149	C	C	.	.	B	Isolated β-bridge	trans	-134.4	159.7	177.4	64.2	71.7	0	0	0	111.2	A34 P291 S293 Q426	A34-H295 HydrophobicContact CB-CB 4.22Å; A34-H295 CarbonylContact O-C 3.51Å; A34-H295 WeakPolarHBondContact O-CA 3.41Å; A34-H295 VanDerWaalsContact O-CB 3.28Å; A34-H295 WeakPolarHBondContact O-CB 3.43Å; P291-H295 WeakPolarHBondContact CB-O 3.29Å; S293-H295 PolarHBondContact O-N 3.23Å; S293-H295 VanDerWaalsContact O-N 3.14Å; S293-H295 PolarHBondContact OG-CD2 3.02Å; S293-H295 PolarHBondContact OG-CE1 2.91Å; S293-H295 PolarHBondContact OG-N 3.12Å; S293-H295 VanDerWaalsContact OG-N 3.1Å; S293-H295 PolarHBondContact OG-ND1 2.83Å; S293-H295 PolarHBondContact OG-NE2 3.45Å; S293-H295 PolarHBondContact OG-O 3.47Å; H295-Q426 HydrophobicContact CB-CB 4.4Å; H295-Q426 PolarHBondContact CD2-OE1 3.35Å; H295-Q426 VanDerWaalsContact CD2-OE1 3.24Å
296	A	88.9	Confident	92.2	Very high	6 Å²	6	25.1 Å²	25.1	5%	0.05	14%	0.142	C	C	.	.	P	Polyproline II helix	trans	-64.3	148.3	173.3	0	0	0	0	0	110.4	V33 A34 A36 N288	V33-A296 HydrophobicContact CG1-CB 3.86Å; V33-A296 VanDerWaalsContact CG1-N 3.34Å; A34-A296 PolarHBondContact O-N 2.96Å; A36-A296 WeakPolarHBondContact CB-O 3.23Å; N288-A296 VanDerWaalsContact OD1-CB 3.23Å; N288-A296 WeakPolarHBondContact OD1-CB 3.36Å
297	T	95.1	Very high	92.2	Very high	5 Å²	5	25.7 Å²	25.7	3%	0.031	15%	0.145	C	C	.	.	P	Polyproline II helix	trans	-66.4	129.2	175.9	-57.6	0	0	0	0	110	L256 A287 V299	L256-T297 HydrophobicContact CD2-CG2 4.43Å; L256-T297 HydrophobicContact CG-CG2 3.97Å; A287-T297 WeakPolarHBondContact CB-O 3.46Å; T297-V299 PolarHBondContact O-N 3.44Å
298	P	96.6	Very high	92.2	Very high	11 Å²	11	26.4 Å²	26.4	7%	0.071	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-62.9	136.9	178.6	25.3	-32.5	0	0	0	111.1	A36 L210 T254 A255 L256 L300 A332	A36-P298 HydrophobicContact CB-CB 3.73Å; A36-P298 HydrophobicContact CB-CG 4.02Å; L210-P298 HydrophobicContact CD2-CG 4.02Å; T254-P298 VanDerWaalsContact O-CD 3.25Å; T254-P298 WeakPolarHBondContact O-CD 3.31Å; T254-P298 VanDerWaalsContact O-CG 3.31Å; T254-P298 WeakPolarHBondContact O-CG 3.34Å; A255-P298 WeakPolarHBondContact CA-O 3.47Å; A255-P298 HydrophobicContact CB-CG 4.15Å; L256-P298 PolarHBondContact N-O 3.47Å; P298-L300 HydrophobicContact CB-CD1 4.09Å; P298-A332 HydrophobicContact CB-CB 3.77Å
299	V	98.4	Very high	92.3	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.024	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-106.9	123.7	177.9	-173.6	0	0	0	0	109.4	L256 P258 A283 L284 A287 T297 M331 A332	L256-V299 HydrophobicContact CB-CG1 4.49Å; L256-V299 HydrophobicContact CB-CG2 4.35Å; L256-V299 HydrophobicContact CD1-CG2 4.35Å; P258-V299 HydrophobicContact CG-CG1 4Å; A283-V299 HydrophobicContact CB-CG1 3.66Å; A283-V299 HydrophobicContact CB-CG2 4.37Å; L284-V299 HydrophobicContact CD2-CG2 4.25Å; A287-V299 HydrophobicContact CB-CG2 3.94Å; T297-V299 PolarHBondContact O-N 3.44Å; V299-M331 HydrophobicContact CB-SD 3.66Å; V299-M331 HydrophobicContact CG1-SD 3.51Å; V299-M331 VanDerWaalsContact CG1-SD 3.51Å; V299-A332 WeakPolarHBondContact O-CB 3.46Å; V299-A332 PolarHBondContact O-N 3.28Å
300	L	98.7	Very high	92.4	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.158	C	C	.	.			trans	-128.2	84.3	177.9	-69	99.2	0	0	0	109	V39 L137 A255 L256 Y257 P298 A332 V335	V39-L300 HydrophobicContact CG2-CD1 4.18Å; V39-L300 HydrophobicContact CG2-CD2 4.03Å; L137-L300 HydrophobicContact CD1-CD2 4.29Å; L137-L300 HydrophobicContact CD2-CD2 3.93Å; L137-L300 HydrophobicContact CG-CD2 4.39Å; A255-L300 HydrophobicContact CB-CD1 4.32Å; L256-L300 PolarHBondContact O-N 3.48Å; Y257-L300 HydrophobicContact CD1-CB 4.06Å; Y257-L300 WeakPolarHBondContact CD1-O 3.3Å; Y257-L300 HydrophobicContact CE1-CB 3.91Å; P298-L300 HydrophobicContact CB-CD1 4.09Å; L300-A332 HydrophobicContact CD1-CB 3.99Å; L300-A332 HydrophobicContact CG-CB 4.13Å; L300-V335 HydrophobicContact CB-CG2 4.24Å
301	P	98.8	Very high	92.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.166	C	C	.	.			trans	-54.9	145.4	177.7	24.5	-38.8	0	0	0	112.9	P258 I260 L280 M331 G333 V334 V335	P258-P301 HydrophobicContact CG-CB 4.1Å; P258-P301 CarbonylContact O-C 3.58Å; P258-P301 VanDerWaalsContact O-CA 3.23Å; P258-P301 WeakPolarHBondContact O-CA 3.4Å; I260-P301 HydrophobicContact CD1-CB 3.78Å; I260-P301 HydrophobicContact CD1-CG 4.13Å; I260-P301 HydrophobicContact CG1-CB 3.93Å; I260-P301 HydrophobicContact CG2-CB 4.02Å; L280-P301 HydrophobicContact CD2-CB 3.66Å; L280-P301 HydrophobicContact CD2-CG 3.63Å; P301-M331 HydrophobicContact CG-CG 4.21Å; P301-G333 VanDerWaalsContact CD-O 3.27Å; P301-G333 WeakPolarHBondContact CD-O 3.26Å; P301-V334 HydrophobicContact CG-CG2 4.15Å; P301-V334 WeakPolarHBondContact O-CA 3.5Å; P301-V334 WeakPolarHBondContact O-CG1 3.33Å; P301-V335 PolarHBondContact O-N 3.41Å
302	Y	98.8	Very high	93.2	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	116.5	167.8	-98.1	-108.2	0	0	0	110	N50 M84 I86 V139 Y214 Y257 P258 I260 Y261 V335 W337	N50-Y302 PolarHBondContact OD1-OH 3.44Å; M84-Y302 WeakPolarHBondContact CE-OH 3.06Å; I86-Y302 HydrophobicContact CD1-CE1 4.37Å; V139-Y302 HydrophobicContact CG1-CE2 3.94Å; V139-Y302 WeakPolarHBondContact CG1-OH 3.26Å; V139-Y302 HydrophobicContact CG2-CE2 4.07Å; Y214-Y302 AromaticContact CD2-CD1 3.8Å; Y214-Y302 HydrophobicContact CD2-CD1 3.8Å; Y214-Y302 AromaticContact CD2-CD2 3.93Å; Y214-Y302 HydrophobicContact CD2-CD2 3.93Å; Y214-Y302 HydrophobicContact CD2-CE1 4.12Å; Y214-Y302 HydrophobicContact CD2-CE2 4.23Å; Y214-Y302 AromaticContact CD2-CG 3.68Å; Y214-Y302 HydrophobicContact CD2-CG 3.68Å; Y214-Y302 AromaticContact CE2-CD1 3.82Å; Y214-Y302 HydrophobicContact CE2-CD1 3.82Å; Y214-Y302 HydrophobicContact CE2-CD2 4.48Å; Y214-Y302 HydrophobicContact CE2-CE1 4.48Å; Y214-Y302 AromaticContact CE2-CG 3.8Å; Y214-Y302 HydrophobicContact CE2-CG 3.8Å; Y257-Y302 HydrophobicContact CD1-CD2 4.2Å; Y257-Y302 AromaticContact CD1-CE2 3.91Å; Y257-Y302 HydrophobicContact CD1-CE2 3.91Å; Y257-Y302 HydrophobicContact CG-CD2 4.46Å; Y257-Y302 HydrophobicContact CG-CE2 4.19Å; P258-Y302 PolarHBondContact O-N 2.94Å; I260-Y302 VanDerWaalsContact CG1-O 3.24Å; I260-Y302 WeakPolarHBondContact CG1-O 3.42Å; I260-Y302 PolarHBondContact N-O 3.34Å; Y261-Y302 WeakPolarHBondContact CD1-O 3.11Å; Y261-Y302 WeakPolarHBondContact CE1-O 3.1Å; Y261-Y302 WeakPolarHBondContact OH-CD1 3.47Å; Y302-V335 HydrophobicContact CD1-CB 4.38Å; Y302-V335 HydrophobicContact CD1-CG1 4.32Å; Y302-V335 HydrophobicContact CD2-CB 3.9Å; Y302-V335 HydrophobicContact CD2-CG1 4.39Å; Y302-V335 HydrophobicContact CD2-CG2 4.08Å; Y302-V335 HydrophobicContact CE1-CB 4.38Å; Y302-V335 HydrophobicContact CE1-CG1 3.91Å; Y302-V335 HydrophobicContact CE2-CB 3.9Å; Y302-V335 HydrophobicContact CE2-CG1 3.98Å; Y302-V335 HydrophobicContact CE2-CG2 3.9Å; Y302-V335 HydrophobicContact CG-CB 4.16Å; Y302-W337 HydrophobicContact CD1-CB 3.56Å; Y302-W337 HydrophobicContact CD1-CG 4.1Å; Y302-W337 HydrophobicContact CE1-CB 3.74Å; Y302-W337 AromaticContact CE1-CD1 3.9Å; Y302-W337 HydrophobicContact CE1-CG 4Å
303	A	98.6	Very high	94.5	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.017	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	162.6	172.6	0	0	0	0	0	110.5	I260 L323 V334 V335 L336 W337	I260-A303 HydrophobicContact CD1-CB 4.12Å; I260-A303 HydrophobicContact CG1-CB 4.02Å; A303-L323 HydrophobicContact CB-CD2 4.08Å; A303-V334 HydrophobicContact CB-CG1 3.5Å; A303-V335 PolarHBondContact N-O 3.25Å; A303-L336 HydrophobicContact CB-CD2 4.34Å; A303-W337 PolarHBondContact O-N 2.98Å
304	R	98.1	Very high	95.6	Very high	8 Å²	8	28.6 Å²	28.6	3%	0.03	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	152.4	169.2	-75.3	178.5	67.1	123.1	3.3	109	Y261 A306 T310 L314 W337 E339	Y261-R304 HydrophobicContact CD1-CB 4.37Å; Y261-R304 HydrophobicContact CD1-CG 3.67Å; Y261-R304 HydrophobicContact CD2-CG 4.23Å; Y261-R304 HydrophobicContact CE1-CG 3.68Å; Y261-R304 HydrophobicContact CE2-CG 4.25Å; Y261-R304 HydrophobicContact CG-CG 3.96Å; R304-A306 WeakPolarHBondContact CB-O 3.15Å; R304-A306 PolarHBondContact O-N 3.49Å; R304-T310 PolarHBondContact NH2-O 3.42Å; R304-L314 VanDerWaalsContact O-CD1 3.3Å; R304-L314 WeakPolarHBondContact O-CD1 3.12Å; R304-W337 HydrophobicContact CG-CE3 4.08Å; R304-W337 WeakPolarHBondContact CG-O 3.47Å; R304-E339 IonicContact CZ-OE1 2.79Å; R304-E339 IonicContact CZ-OE2 3.56Å; R304-E339 IonicContact NH1-OE1 2.95Å; R304-E339 IonicContact NH1-OE2 2.61Å; R304-E339 PolarHBondContact NH1-OE2 3.43Å; R304-E339 VanDerWaalsContact NH2-CD 3.27Å; R304-E339 IonicContact NH2-OE1 3.59Å; R304-E339 PolarHBondContact NH2-OE1 2.95Å; R304-E339 IonicContact NH2-OE2 2.77Å; R304-E339 PolarHBondContact NH2-OE2 3.36Å
305	V	97.7	Very high	96.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.136	C	C	.	.	S	Bend	trans	-74.8	-8.1	168.6	-61.1	0	0	0	0	113	W49 M51 F313 L314 L336 F342 Y355 L360	W49-V305 HydrophobicContact CH2-CG1 4.4Å; W49-V305 HydrophobicContact CZ3-CG1 4.07Å; M51-V305 HydrophobicContact CE-CG2 3.79Å; M51-V305 HydrophobicContact SD-CG1 4.1Å; M51-V305 HydrophobicContact SD-CG2 3.87Å; V305-F313 HydrophobicContact CB-CD1 4.35Å; V305-F313 HydrophobicContact CG2-CD1 4.04Å; V305-F313 HydrophobicContact CG2-CE1 3.86Å; V305-F313 WeakPolarHBondContact O-CA 3.37Å; V305-L314 PolarHBondContact O-N 3.15Å; V305-L336 HydrophobicContact CG1-CB 4.42Å; V305-L336 HydrophobicContact CG1-CD1 4.41Å; V305-L336 HydrophobicContact CG1-CD2 4.32Å; V305-F342 HydrophobicContact CG2-CE1 4.26Å; V305-F342 HydrophobicContact CG2-CZ 4.29Å; V305-Y355 HydrophobicContact CB-CE1 4.1Å; V305-Y355 PolarHBondContact O-OH 2.98Å; V305-L360 HydrophobicContact CB-CD2 4.39Å; V305-L360 HydrophobicContact CG1-CD1 4.42Å; V305-L360 HydrophobicContact CG1-CD2 3.6Å
306	A	98.1	Very high	97.1	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	B	Isolated β-bridge	trans	-138.5	162.9	-178.7	0	0	0	0	0	110.7	R304 H312 F313 F342	R304-A306 WeakPolarHBondContact CB-O 3.15Å; R304-A306 PolarHBondContact O-N 3.49Å; A306-H312 CarbonylContact C-O 3.5Å; A306-H312 WeakPolarHBondContact CA-O 3.21Å; A306-H312 WeakPolarHBondContact CB-O 3.15Å; A306-F313 HydrophobicContact CB-CD1 4.41Å; A306-F342 HydrophobicContact CB-CE1 4.06Å; A306-F342 HydrophobicContact CB-CZ 3.62Å
307	F	98.2	Very high	97.4	Very high	12 Å²	12	32.8 Å²	32.8	5%	0.053	16%	0.164	C	C	.	.	S	Bend	trans	-59.1	146.3	174.5	-63.3	-74.9	0	0	0	111.9	L262 K264 A267 H309 T310 H312 L314 D318	L262-F307 HydrophobicContact CB-CD1 4.34Å; L262-F307 HydrophobicContact CD2-CD1 4.16Å; L262-F307 HydrophobicContact CD2-CE1 3.72Å; L262-F307 HydrophobicContact CG-CD1 4.02Å; L262-F307 HydrophobicContact CG-CE1 4.03Å; L262-F307 CarbonylContact O-C 3.59Å; L262-F307 VanDerWaalsContact O-CA 3.31Å; L262-F307 WeakPolarHBondContact O-CA 3.16Å; K264-F307 HydrophobicContact CB-CB 3.81Å; K264-F307 HydrophobicContact CB-CD1 4.39Å; K264-F307 HydrophobicContact CB-CD2 4.41Å; K264-F307 HydrophobicContact CB-CG 3.96Å; K264-F307 HydrophobicContact CG-CB 4.4Å; K264-F307 HydrophobicContact CG-CD2 4.16Å; K264-F307 HydrophobicContact CG-CG 4.22Å; A267-F307 HydrophobicContact CB-CE1 3.69Å; A267-F307 HydrophobicContact CB-CE2 4.03Å; A267-F307 HydrophobicContact CB-CZ 3.25Å; F307-H309 PolarHBondContact O-N 3.12Å; F307-T310 WeakPolarHBondContact CB-OG1 3.33Å; F307-T310 PolarHBondContact O-N 3.47Å; F307-T310 PolarHBondContact O-OG1 3.48Å; F307-H312 HydrophobicContact CD2-CB 4Å; F307-H312 WeakPolarHBondContact CD2-O 3.23Å; F307-H312 PolarHBondContact N-O 3.44Å; F307-L314 HydrophobicContact CD1-CD2 3.55Å; F307-L314 HydrophobicContact CD2-CD2 3.96Å; F307-L314 HydrophobicContact CE1-CD2 3.56Å; F307-L314 HydrophobicContact CE2-CD2 3.96Å; F307-L314 HydrophobicContact CG-CD2 3.77Å; F307-L314 HydrophobicContact CZ-CD2 3.76Å; F307-D318 VanDerWaalsContact CZ-OD2 3.23Å; F307-D318 WeakPolarHBondContact CZ-OD2 3.41Å
308	A	96	Very high	97.6	Very high	17 Å²	17	32.7 Å²	32.7	14%	0.14	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	130	-178.1	0	0	0	0	0	111.9	L262 T310	L262-A308 PolarHBondContact O-N 3.37Å; A308-T310 PolarHBondContact O-N 2.96Å
309	H	94.1	Very high	97.7	Very high	170 Å²	170	32.3 Å²	32.3	79%	0.787	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.4	26.9	-178	-46.9	-68.6	0	0	0	114.8	F307	F307-H309 PolarHBondContact O-N 3.12Å
310	T	96.4	Very high	97.6	Very high	29 Å²	29	34.9 Å²	34.9	18%	0.178	17%	0.173	C	C	.	.	S	Bend	trans	-139.9	167.3	176.2	78.8	0	0	0	0	111.8	K264 R304 F307 A308 H312	K264-T310 HydrophobicContact CD-CG2 4.34Å; R304-T310 PolarHBondContact NH2-O 3.42Å; F307-T310 WeakPolarHBondContact CB-OG1 3.33Å; F307-T310 PolarHBondContact O-N 3.47Å; F307-T310 PolarHBondContact O-OG1 3.48Å; A308-T310 PolarHBondContact O-N 2.96Å; T310-H312 PolarHBondContact OG1-N 3.09Å
311	L	96.7	Very high	97.6	Very high	50 Å²	50	36.1 Å²	36.1	26%	0.262	18%	0.179	S	C	.	.			trans	-100.4	15.3	167.4	-54.6	-180	0	0	0	112.2	F313 A341 F342	L311-F313 PolarHBondContact O-N 2.97Å; L311-A341 HydrophobicContact CD1-CB 4.31Å; L311-A341 HydrophobicContact CD2-CB 3.95Å; L311-F342 HydrophobicContact CB-CE1 4.26Å; L311-F342 HydrophobicContact CD2-CD1 3.78Å; L311-F342 HydrophobicContact CD2-CD2 3.91Å; L311-F342 HydrophobicContact CD2-CE1 3.54Å; L311-F342 HydrophobicContact CD2-CE2 3.68Å; L311-F342 HydrophobicContact CD2-CG 3.95Å; L311-F342 HydrophobicContact CD2-CZ 3.46Å; L311-F342 VanDerWaalsContact CD2-CZ 3.46Å
312	H	97.7	Very high	97.6	Very high	102 Å²	102	36.3 Å²	36.3	47%	0.472	18%	0.179	S	C	.	.			trans	-82.2	102.9	177.6	-72.7	-122.7	0	0	0	108.7	K264 A306 F307 T310	K264-H312 PolarHBondContact NZ-CE1 2.88Å; K264-H312 PolarHBondContact NZ-ND1 3.37Å; K264-H312 VanDerWaalsContact NZ-ND1 3.17Å; K264-H312 PolarHBondContact NZ-NE2 3.01Å; A306-H312 CarbonylContact C-O 3.5Å; A306-H312 WeakPolarHBondContact CA-O 3.21Å; A306-H312 WeakPolarHBondContact CB-O 3.15Å; F307-H312 HydrophobicContact CD2-CB 4Å; F307-H312 WeakPolarHBondContact CD2-O 3.23Å; F307-H312 PolarHBondContact N-O 3.44Å; T310-H312 PolarHBondContact OG1-N 3.09Å
313	F	98.5	Very high	97.6	Very high	42 Å²	42	36.4 Å²	36.4	18%	0.184	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-57.6	147.9	-178.5	-66.8	-68.2	0	0	0	112.8	V305 A306 L311 F342 I351 L352 Y355	V305-F313 HydrophobicContact CB-CD1 4.35Å; V305-F313 HydrophobicContact CG2-CD1 4.04Å; V305-F313 HydrophobicContact CG2-CE1 3.86Å; V305-F313 WeakPolarHBondContact O-CA 3.37Å; A306-F313 HydrophobicContact CB-CD1 4.41Å; L311-F313 PolarHBondContact O-N 2.97Å; F313-F342 HydrophobicContact CD1-CE1 4.31Å; F313-F342 AromaticContact CE1-CD1 3.83Å; F313-F342 HydrophobicContact CE1-CD1 3.83Å; F313-F342 AromaticContact CE1-CE1 3.51Å; F313-F342 HydrophobicContact CE1-CE1 3.51Å; F313-F342 AromaticContact CZ-CD1 3.8Å; F313-F342 HydrophobicContact CZ-CD1 3.8Å; F313-F342 AromaticContact CZ-CE1 3.76Å; F313-F342 HydrophobicContact CZ-CE1 3.76Å; F313-I351 HydrophobicContact CD2-CG2 4.3Å; F313-I351 HydrophobicContact CE2-CG2 3.58Å; F313-I351 HydrophobicContact CZ-CG2 4.48Å; F313-L352 HydrophobicContact CE1-CD1 3.71Å; F313-L352 HydrophobicContact CZ-CB 4.41Å; F313-L352 HydrophobicContact CZ-CD1 3.88Å; F313-Y355 HydrophobicContact CB-CD1 4.21Å; F313-Y355 HydrophobicContact CB-CD2 3.73Å; F313-Y355 HydrophobicContact CB-CE1 4.06Å; F313-Y355 HydrophobicContact CB-CE2 3.57Å; F313-Y355 HydrophobicContact CB-CG 4.05Å; F313-Y355 AromaticContact CD1-CD1 3.35Å; F313-Y355 HydrophobicContact CD1-CD1 3.35Å; F313-Y355 HydrophobicContact CD1-CD2 4.37Å; F313-Y355 AromaticContact CD1-CE1 3.49Å; F313-Y355 HydrophobicContact CD1-CE1 3.49Å; F313-Y355 VanDerWaalsContact CD1-CE1 3.49Å; F313-Y355 HydrophobicContact CD1-CE2 4.49Å; F313-Y355 AromaticContact CD1-CG 3.83Å; F313-Y355 HydrophobicContact CD1-CG 3.83Å; F313-Y355 HydrophobicContact CD2-CD1 4.45Å; F313-Y355 HydrophobicContact CD2-CD2 4.42Å; F313-Y355 HydrophobicContact CD2-CG 4.11Å; F313-Y355 AromaticContact CE1-CD1 3.76Å; F313-Y355 HydrophobicContact CE1-CD1 3.76Å; F313-Y355 HydrophobicContact CE1-CE1 4.22Å; F313-Y355 HydrophobicContact CE1-CG 4.31Å; F313-Y355 AromaticContact CG-CD1 3.75Å; F313-Y355 HydrophobicContact CG-CD1 3.75Å; F313-Y355 AromaticContact CG-CD2 3.92Å; F313-Y355 HydrophobicContact CG-CD2 3.92Å; F313-Y355 AromaticContact CG-CE1 3.97Å; F313-Y355 HydrophobicContact CG-CE1 3.97Å; F313-Y355 HydrophobicContact CG-CE2 4.15Å; F313-Y355 AromaticContact CG-CG 3.71Å; F313-Y355 HydrophobicContact CG-CG 3.71Å; F313-Y355 HydrophobicContact CZ-CD1 4.46Å
314	L	98.5	Very high	97.6	Very high	3 Å²	3	36.4 Å²	36.4	2%	0.016	18%	0.181	C	C	.	.			trans	-75.5	132.3	175.8	-62	-170.9	0	0	0	109.3	L262 R304 V305 F307 D318 L319 T322 Y355	L262-L314 HydrophobicContact CD2-CD2 4.32Å; R304-L314 VanDerWaalsContact O-CD1 3.3Å; R304-L314 WeakPolarHBondContact O-CD1 3.12Å; V305-L314 PolarHBondContact O-N 3.15Å; F307-L314 HydrophobicContact CD1-CD2 3.55Å; F307-L314 HydrophobicContact CD2-CD2 3.96Å; F307-L314 HydrophobicContact CE1-CD2 3.56Å; F307-L314 HydrophobicContact CE2-CD2 3.96Å; F307-L314 HydrophobicContact CG-CD2 3.77Å; F307-L314 HydrophobicContact CZ-CD2 3.76Å; L314-D318 HydrophobicContact CB-CB 3.79Å; L314-D318 HydrophobicContact CD1-CB 4.43Å; L314-D318 HydrophobicContact CD2-CB 3.97Å; L314-D318 HydrophobicContact CG-CB 4.25Å; L314-L319 HydrophobicContact CB-CD2 3.98Å; L314-L319 HydrophobicContact CB-CG 4.14Å; L314-L319 HydrophobicContact CD1-CD2 4.35Å; L314-T322 HydrophobicContact CD1-CG2 4.4Å; L314-Y355 VanDerWaalsContact O-CE2 3.31Å; L314-Y355 WeakPolarHBondContact O-CE2 3.29Å; L314-Y355 PolarHBondContact O-OH 3.07Å
315	N	97.5	Very high	97.6	Very high	68 Å²	68	36 Å²	36	36%	0.364	18%	0.179	S	C	.	.			trans	-79.8	176.8	172	70.8	22.6	0	0	0	110.9	T317 D318 L319 E359	N315-T317 VanDerWaalsContact C-N 3.31Å; N315-T317 PolarHBondContact O-N 3.36Å; N315-T317 WeakPolarHBondContact OD1-CA 3.36Å; N315-T317 WeakPolarHBondContact OD1-CB 3.39Å; N315-T317 PolarHBondContact OD1-N 3.19Å; N315-D318 PolarHBondContact O-N 2.76Å; N315-D318 PolarHBondContact OD1-N 3.14Å; N315-D318 PolarHBondContact OD1-OD2 3.46Å; N315-D318 VanDerWaalsContact OD1-OD2 3.12Å; N315-L319 WeakPolarHBondContact O-CG 3.06Å; N315-L319 PolarHBondContact O-N 3.4Å; N315-E359 WeakPolarHBondContact CA-OE1 3.33Å
316	K	96.9	Very high	97.6	Very high	108 Å²	108	36 Å²	36	47%	0.47	18%	0.179	S	C	.	.	H	α-helix	trans	-47.2	-47.4	175.8	-175	178.4	176.7	-178.3	0	114	D318 L319 E320 E359 Y363	K316-D318 PolarHBondContact O-N 3.13Å; K316-L319 PolarHBondContact O-N 2.88Å; K316-E320 VanDerWaalsContact CE-OE1 3.24Å; K316-E320 WeakPolarHBondContact CE-OE1 3.5Å; K316-E320 WeakPolarHBondContact O-CG 3.34Å; K316-E320 PolarHBondContact O-N 2.91Å; K316-E359 PolarHBondContact N-OE1 3.05Å; K316-Y363 HydrophobicContact CG-CD2 4.13Å
317	T	96.9	Very high	97.6	Very high	58 Å²	58	36.2 Å²	36.2	36%	0.356	18%	0.18	S	C	.	.	H	α-helix	trans	-62.7	-41.6	179.9	-58.7	0	0	0	0	111.7	N315 E320 H321	N315-T317 VanDerWaalsContact C-N 3.31Å; N315-T317 PolarHBondContact O-N 3.36Å; N315-T317 WeakPolarHBondContact OD1-CA 3.36Å; N315-T317 WeakPolarHBondContact OD1-CB 3.39Å; N315-T317 PolarHBondContact OD1-N 3.19Å; T317-E320 WeakPolarHBondContact O-CB 3.37Å; T317-E320 PolarHBondContact O-N 2.77Å; T317-H321 PolarHBondContact O-N 2.79Å; T317-H321 PolarHBondContact O-ND1 3.23Å
318	D	98.3	Very high	97.6	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.016	18%	0.178	C	C	.	.	H	α-helix	trans	-70.4	-32.9	177.2	-63.8	-54.2	0	0	0	112.5	L262 A267 G268 F307 L314 N315 K316 H321 T322	L262-D318 HydrophobicContact CD2-CB 4.06Å; A267-D318 WeakPolarHBondContact CA-OD1 3.44Å; G268-D318 PolarHBondContact N-OD1 3.44Å; F307-D318 VanDerWaalsContact CZ-OD2 3.23Å; F307-D318 WeakPolarHBondContact CZ-OD2 3.41Å; L314-D318 HydrophobicContact CB-CB 3.79Å; L314-D318 HydrophobicContact CD1-CB 4.43Å; L314-D318 HydrophobicContact CD2-CB 3.97Å; L314-D318 HydrophobicContact CG-CB 4.25Å; N315-D318 PolarHBondContact O-N 2.76Å; N315-D318 PolarHBondContact OD1-N 3.14Å; N315-D318 PolarHBondContact OD1-OD2 3.46Å; N315-D318 VanDerWaalsContact OD1-OD2 3.12Å; K316-D318 PolarHBondContact O-N 3.13Å; D318-H321 PolarHBondContact O-N 2.84Å; D318-T322 WeakPolarHBondContact O-CG2 3.43Å; D318-T322 PolarHBondContact O-N 3.27Å; D318-T322 PolarHBondContact O-OG1 3.09Å
319	L	98.6	Very high	97.7	Very high	2 Å²	2	35 Å²	35	1%	0.01	17%	0.172	C	C	.	.	H	α-helix	trans	-66.8	-36.4	171.6	-66.6	173.8	0	0	0	111.6	L314 N315 K316 T322 L323 G324 E359 L360 Y363	L314-L319 HydrophobicContact CB-CD2 3.98Å; L314-L319 HydrophobicContact CB-CG 4.14Å; L314-L319 HydrophobicContact CD1-CD2 4.35Å; N315-L319 WeakPolarHBondContact O-CG 3.06Å; N315-L319 PolarHBondContact O-N 3.4Å; K316-L319 PolarHBondContact O-N 2.88Å; L319-T322 WeakPolarHBondContact CA-OG1 3.42Å; L319-T322 PolarHBondContact O-N 3.13Å; L319-T322 PolarHBondContact O-OG1 2.82Å; L319-L323 HydrophobicContact CD2-CD1 3.92Å; L319-L323 HydrophobicContact CD2-CG 4.36Å; L319-L323 WeakPolarHBondContact O-CA 3.44Å; L319-L323 WeakPolarHBondContact O-CB 3.39Å; L319-L323 PolarHBondContact O-N 2.95Å; L319-G324 PolarHBondContact O-N 2.9Å; L319-G324 VanDerWaalsContact O-N 3.09Å; L319-E359 HydrophobicContact CD1-CG 4.41Å; L319-L360 HydrophobicContact CD1-CD1 4.27Å; L319-L360 HydrophobicContact CD2-CD1 3.82Å; L319-Y363 HydrophobicContact CB-CD1 3.78Å; L319-Y363 HydrophobicContact CB-CD2 4.37Å; L319-Y363 HydrophobicContact CB-CE1 3.8Å; L319-Y363 HydrophobicContact CB-CE2 4.38Å; L319-Y363 HydrophobicContact CB-CG 4.09Å; L319-Y363 HydrophobicContact CD1-CD1 4.09Å; L319-Y363 HydrophobicContact CD1-CG 4.01Å; L319-Y363 HydrophobicContact CG-CD1 4.47Å; L319-Y363 PolarHBondContact O-OH 3.31Å
320	E	97.7	Very high	97.9	Very high	58 Å²	58	27.2 Å²	27.2	27%	0.271	14%	0.138	S	C	.	.	I	π-helix	trans	-62.5	-46.7	171.5	-73.4	171.3	-179.4	0	0	111.4	K316 T317 T322 G324 E325 Y363 M395	K316-E320 VanDerWaalsContact CE-OE1 3.24Å; K316-E320 WeakPolarHBondContact CE-OE1 3.5Å; K316-E320 WeakPolarHBondContact O-CG 3.34Å; K316-E320 PolarHBondContact O-N 2.91Å; T317-E320 WeakPolarHBondContact O-CB 3.37Å; T317-E320 PolarHBondContact O-N 2.77Å; E320-T322 PolarHBondContact O-N 3.4Å; E320-T322 VanDerWaalsContact O-N 3.16Å; E320-G324 CarbonylContact O-C 3.59Å; E320-G324 VanDerWaalsContact O-CA 3.26Å; E320-G324 WeakPolarHBondContact O-CA 3.42Å; E320-G324 PolarHBondContact O-N 3.34Å; E320-E325 PolarHBondContact O-N 2.76Å; E320-Y363 VanDerWaalsContact CA-OH 3.31Å; E320-Y363 WeakPolarHBondContact CA-OH 3.35Å; E320-Y363 HydrophobicContact CG-CE2 3.56Å; E320-M395 HydrophobicContact CB-CE 4.49Å; E320-M395 VanDerWaalsContact O-CE 3.31Å; E320-M395 WeakPolarHBondContact O-CE 3.47Å
321	H	97.8	Very high	97.9	Very high	27 Å²	27	25.9 Å²	25.9	13%	0.125	13%	0.13	C	C	.	.	I	π-helix	trans	-65.5	-16.4	178.2	-63.3	165.1	0	0	0	114.3	S269 A272 T273 V276 T317 D318	S269-H321 PolarHBondContact O-CE1 3.27Å; S269-H321 VanDerWaalsContact O-CE1 3.31Å; S269-H321 PolarHBondContact O-ND1 2.7Å; A272-H321 HydrophobicContact CB-CB 3.9Å; T273-H321 PolarHBondContact OG1-CD2 3.33Å; T273-H321 VanDerWaalsContact OG1-CG 3.24Å; T273-H321 PolarHBondContact OG1-NE2 3.42Å; V276-H321 WeakPolarHBondContact CB-O 3.09Å; V276-H321 WeakPolarHBondContact CG2-O 3.48Å; T317-H321 PolarHBondContact O-N 2.79Å; T317-H321 PolarHBondContact O-ND1 3.23Å; D318-H321 PolarHBondContact O-N 2.84Å
322	T	98.5	Very high	98	Very high	3 Å²	3	23.7 Å²	23.7	2%	0.018	12%	0.118	C	C	.	.	I	π-helix	trans	-112.4	-71.9	-178.1	51.3	0	0	0	0	112.1	L262 V276 L314 D318 L319 E320 S326	L262-T322 HydrophobicContact CB-CG2 4.24Å; L262-T322 HydrophobicContact CD2-CG2 4.31Å; V276-T322 HydrophobicContact CG2-CG2 4.08Å; L314-T322 HydrophobicContact CD1-CG2 4.4Å; D318-T322 WeakPolarHBondContact O-CG2 3.43Å; D318-T322 PolarHBondContact O-N 3.27Å; D318-T322 PolarHBondContact O-OG1 3.09Å; L319-T322 WeakPolarHBondContact CA-OG1 3.42Å; L319-T322 PolarHBondContact O-N 3.13Å; L319-T322 PolarHBondContact O-OG1 2.82Å; E320-T322 PolarHBondContact O-N 3.4Å; E320-T322 VanDerWaalsContact O-N 3.16Å; T322-S326 WeakPolarHBondContact O-CB 3.29Å; T322-S326 PolarHBondContact O-N 3.16Å; T322-S326 VanDerWaalsContact O-N 3.13Å; T322-S326 PolarHBondContact O-OG 3.31Å
323	L	98.7	Very high	98	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.01	10%	0.096	C	C	.	.	I	π-helix	trans	-71.3	-41.7	-177.9	-54.4	-173	0	0	0	111.5	M47 A303 L319 S326 A327 V334 L336 L360 Y363 I364 L367	M47-L323 HydrophobicContact CE-CB 4.09Å; M47-L323 HydrophobicContact CE-CD1 4.04Å; M47-L323 HydrophobicContact CE-CD2 4.35Å; M47-L323 HydrophobicContact CE-CG 4.39Å; A303-L323 HydrophobicContact CB-CD2 4.08Å; L319-L323 HydrophobicContact CD2-CD1 3.92Å; L319-L323 HydrophobicContact CD2-CG 4.36Å; L319-L323 WeakPolarHBondContact O-CA 3.44Å; L319-L323 WeakPolarHBondContact O-CB 3.39Å; L319-L323 PolarHBondContact O-N 2.95Å; L323-S326 WeakPolarHBondContact O-CB 3.47Å; L323-S326 PolarHBondContact O-N 3.16Å; L323-A327 PolarHBondContact O-N 3.31Å; L323-V334 HydrophobicContact CD2-CB 4.03Å; L323-V334 HydrophobicContact CD2-CG1 3.61Å; L323-V334 HydrophobicContact CD2-CG2 3.96Å; L323-L336 HydrophobicContact CD1-CD2 4.5Å; L323-L336 HydrophobicContact CD2-CD2 3.96Å; L323-L360 HydrophobicContact CD1-CD1 4.32Å; L323-Y363 HydrophobicContact CB-CE1 3.88Å; L323-Y363 HydrophobicContact CD1-CD1 4.24Å; L323-Y363 HydrophobicContact CD1-CE1 4.17Å; L323-I364 HydrophobicContact CD1-CD1 4.5Å; L323-I364 HydrophobicContact CD1-CG1 4.11Å; L323-L367 HydrophobicContact CB-CD2 4.08Å
324	G	98.1	Very high	98	Very high	3 Å²	3	16.8 Å²	16.8	3%	0.031	9%	0.087	C	C	.	.	I	π-helix	trans	-63.1	-46.4	177.5	0	0	0	0	0	111.9	L319 E320 S326 A327 A328 Y363	L319-G324 PolarHBondContact O-N 2.9Å; L319-G324 VanDerWaalsContact O-N 3.09Å; E320-G324 CarbonylContact O-C 3.59Å; E320-G324 VanDerWaalsContact O-CA 3.26Å; E320-G324 WeakPolarHBondContact O-CA 3.42Å; E320-G324 PolarHBondContact O-N 3.34Å; G324-S326 VanDerWaalsContact C-N 3.29Å; G324-S326 PolarHBondContact O-N 3.34Å; G324-A327 PolarHBondContact O-N 2.04Å; G324-A328 WeakPolarHBondContact O-CB 3.48Å; G324-A328 PolarHBondContact O-N 2.98Å; G324-Y363 VanDerWaalsContact CA-OH 3.27Å; G324-Y363 WeakPolarHBondContact CA-OH 3.35Å; G324-Y363 PolarHBondContact N-OH 2.78Å
325	E	98.6	Very high	98	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-62.4	-38.4	177.5	-174.2	64	-167.3	0	0	111.2	T273 V276 R277 L280 E320 A328 L329 R387	T273-E325 HydrophobicContact CG2-CG 4.16Å; T273-E325 WeakPolarHBondContact CG2-OE2 3.35Å; V276-E325 HydrophobicContact CG1-CB 4.22Å; V276-E325 HydrophobicContact CG1-CG 4.14Å; R277-E325 HydrophobicContact CB-CG 4.27Å; R277-E325 WeakPolarHBondContact CB-OE1 3.38Å; R277-E325 WeakPolarHBondContact CG-OE1 3.46Å; R277-E325 IonicContact CZ-OE1 3.71Å; R277-E325 IonicContact NE-OE1 3.24Å; R277-E325 PolarHBondContact NE-OE1 3.2Å; R277-E325 IonicContact NH2-OE1 3.69Å; R277-E325 PolarHBondContact NH2-OE1 2.77Å; R277-E325 IonicContact NH2-OE2 3.45Å; R277-E325 PolarHBondContact NH2-OE2 3.04Å; L280-E325 HydrophobicContact CD1-CG 4.22Å; E320-E325 PolarHBondContact O-N 2.76Å; E325-A328 PolarHBondContact O-N 3.25Å; E325-L329 HydrophobicContact CG-CD1 4.27Å; E325-L329 WeakPolarHBondContact O-CG 3.29Å; E325-L329 PolarHBondContact O-N 3.43Å; E325-L329 VanDerWaalsContact O-N 3.08Å; E325-R387 IonicContact OE1-CZ 2.73Å; E325-R387 IonicContact OE1-NH1 2.75Å; E325-R387 PolarHBondContact OE1-NH1 3.02Å; E325-R387 IonicContact OE1-NH2 2.85Å; E325-R387 IonicContact OE2-CZ 3.4Å; E325-R387 IonicContact OE2-NH1 3.54Å; E325-R387 PolarHBondContact OE2-NH1 3.27Å; E325-R387 IonicContact OE2-NH2 2.84Å; E325-R387 PolarHBondContact OE2-NH2 2.82Å
326	S	98.8	Very high	98.1	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-61.5	-44.3	174.1	-58.7	0	0	0	0	112.3	T322 L323 G324 G330 M331	T322-S326 WeakPolarHBondContact O-CB 3.29Å; T322-S326 PolarHBondContact O-N 3.16Å; T322-S326 VanDerWaalsContact O-N 3.13Å; T322-S326 PolarHBondContact O-OG 3.31Å; L323-S326 WeakPolarHBondContact O-CB 3.47Å; L323-S326 PolarHBondContact O-N 3.16Å; G324-S326 VanDerWaalsContact C-N 3.29Å; G324-S326 PolarHBondContact O-N 3.34Å; S326-G330 PolarHBondContact O-N 3.42Å; S326-M331 WeakPolarHBondContact O-CB 3.34Å; S326-M331 VanDerWaalsContact O-CG 3.26Å; S326-M331 WeakPolarHBondContact O-CG 3.39Å; S326-M331 PolarHBondContact O-N 3.18Å
327	A	98.3	Very high	98.1	Very high	3 Å²	3	10.1 Å²	10.1	3%	0.025	5%	0.054	C	C	.	.	H	α-helix	trans	-66.3	-44.8	176.8	0	0	0	0	0	111.8	F45 L323 G324 L329 G330 L367 V371 I396	F45-A327 HydrophobicContact CD1-CB 4.13Å; F45-A327 HydrophobicContact CE1-CB 3.72Å; F45-A327 HydrophobicContact CE2-CB 4.2Å; F45-A327 HydrophobicContact CG-CB 4.5Å; F45-A327 HydrophobicContact CZ-CB 3.77Å; L323-A327 PolarHBondContact O-N 3.31Å; G324-A327 PolarHBondContact O-N 2.04Å; A327-L329 VanDerWaalsContact C-N 3.29Å; A327-L329 PolarHBondContact O-N 3.4Å; A327-G330 PolarHBondContact O-N 3.03Å; A327-L367 HydrophobicContact CB-CD1 3.84Å; A327-L367 HydrophobicContact CB-CD2 4.14Å; A327-L367 HydrophobicContact CB-CG 4.21Å; A327-V371 HydrophobicContact CB-CG2 3.83Å; A327-I396 HydrophobicContact CB-CD1 4.25Å
328	A	98.1	Very high	98	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.037	C	C	.	.	H	α-helix	trans	-63.2	-34.1	-177.9	0	0	0	0	0	112.5	G324 E325 G330 A386 R387 M395 F420	G324-A328 WeakPolarHBondContact O-CB 3.48Å; G324-A328 PolarHBondContact O-N 2.98Å; E325-A328 PolarHBondContact O-N 3.25Å; A328-G330 VanDerWaalsContact C-N 3.28Å; A328-G330 PolarHBondContact O-N 2.97Å; A328-A386 CarbonylContact O-C 3.58Å; A328-R387 WeakPolarHBondContact O-CB 3.18Å; A328-R387 PolarHBondContact O-N 3.46Å; A328-M395 HydrophobicContact CB-SD 4.09Å; A328-F420 HydrophobicContact CB-CE1 4.32Å
329	L	97.9	Very high	97.8	Very high	4 Å²	4	9.9 Å²	9.9	2%	0.021	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	0.5	176.2	-68.8	177.4	0	0	0	114.2	R277 L280 L281 L284 E325 A327 M331 P390	R277-L329 HydrophobicContact CG-CD1 4.28Å; L280-L329 HydrophobicContact CB-CD1 3.75Å; L280-L329 HydrophobicContact CD1-CD1 3.85Å; L280-L329 HydrophobicContact CG-CD1 4.47Å; L281-L329 HydrophobicContact CD2-CD1 4.21Å; L281-L329 HydrophobicContact CD2-CD2 3.99Å; L281-L329 HydrophobicContact CG-CD1 4.38Å; L284-L329 HydrophobicContact CD1-CB 4.45Å; E325-L329 HydrophobicContact CG-CD1 4.27Å; E325-L329 WeakPolarHBondContact O-CG 3.29Å; E325-L329 PolarHBondContact O-N 3.43Å; E325-L329 VanDerWaalsContact O-N 3.08Å; A327-L329 VanDerWaalsContact C-N 3.29Å; A327-L329 PolarHBondContact O-N 3.4Å; L329-M331 HydrophobicContact CB-CE 3.65Å; L329-P390 HydrophobicContact CD2-CB 4.04Å
330	G	96.6	Very high	97.5	Very high	6 Å²	6	16.6 Å²	16.6	6%	0.062	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	31.3	177	0	0	0	0	0	114.5	S326 A327 A328 R384 C385	S326-G330 PolarHBondContact O-N 3.42Å; A327-G330 PolarHBondContact O-N 3.03Å; A328-G330 VanDerWaalsContact C-N 3.28Å; A328-G330 PolarHBondContact O-N 2.97Å; G330-R384 WeakPolarHBondContact O-CD 3.45Å; G330-C385 WeakPolarHBondContact CA-O 3.4Å
331	M	97.8	Very high	97.5	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.01	8%	0.079	C	C	.	.			trans	-60.6	159.7	170.9	-62.5	-51	110.5	0	0	111.4	F45 L280 L284 V299 P301 S326 L329 G333 R384	F45-M331 WeakPolarHBondContact CD2-O 3.47Å; F45-M331 HydrophobicContact CE2-CB 4.13Å; L280-M331 HydrophobicContact CB-CE 4.02Å; L280-M331 HydrophobicContact CB-SD 4.37Å; L280-M331 HydrophobicContact CD2-CG 4.04Å; L280-M331 HydrophobicContact CD2-SD 3.94Å; L284-M331 HydrophobicContact CD1-CE 3.35Å; L284-M331 HydrophobicContact CD2-CE 3.64Å; L284-M331 HydrophobicContact CD2-SD 4.27Å; L284-M331 HydrophobicContact CG-CE 3.41Å; L284-M331 VanDerWaalsContact CG-CE 3.41Å; L284-M331 HydrophobicContact CG-SD 4.33Å; V299-M331 HydrophobicContact CB-SD 3.66Å; V299-M331 HydrophobicContact CG1-SD 3.51Å; V299-M331 VanDerWaalsContact CG1-SD 3.51Å; P301-M331 HydrophobicContact CG-CG 4.21Å; S326-M331 WeakPolarHBondContact O-CB 3.34Å; S326-M331 VanDerWaalsContact O-CG 3.26Å; S326-M331 WeakPolarHBondContact O-CG 3.39Å; S326-M331 PolarHBondContact O-N 3.18Å; L329-M331 HydrophobicContact CB-CE 3.65Å; M331-G333 VanDerWaalsContact C-N 3.29Å; M331-R384 PolarHBondContact O-NH1 2.89Å; M331-R384 VanDerWaalsContact O-NH1 3.14Å
332	A	97.6	Very high	97.4	Very high	3 Å²	3	14.1 Å²	14.1	3%	0.025	7%	0.073	C	C	.	.	S	Bend	trans	-73	-24.5	175.1	0	0	0	0	0	113.2	V39 T46 P298 V299 L300 R384	V39-A332 HydrophobicContact CG2-CB 4.07Å; T46-A332 PolarHBondContact N-O 3.02Å; T46-A332 VanDerWaalsContact N-O 3.12Å; P298-A332 HydrophobicContact CB-CB 3.77Å; V299-A332 WeakPolarHBondContact O-CB 3.46Å; V299-A332 PolarHBondContact O-N 3.28Å; L300-A332 HydrophobicContact CD1-CB 3.99Å; L300-A332 HydrophobicContact CG-CB 4.13Å; A332-R384 VanDerWaalsContact CA-NH1 3.33Å
333	G	98.2	Very high	97.3	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	170.8	-166.1	-177.7	0	0	0	0	0	111.4	T46 P301 M331	T46-G333 CarbonylContact O-C 3.27Å; T46-G333 WeakPolarHBondContact O-CA 3.37Å; P301-G333 VanDerWaalsContact CD-O 3.27Å; P301-G333 WeakPolarHBondContact CD-O 3.26Å; M331-G333 VanDerWaalsContact C-N 3.29Å
334	V	98.9	Very high	97.1	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	140.6	172.1	-175	0	0	0	0	108.7	F45 T46 M47 V48 P301 A303 L323 L336	F45-V334 HydrophobicContact CE1-CG2 4.45Å; F45-V334 HydrophobicContact CE2-CG2 4.15Å; F45-V334 HydrophobicContact CZ-CG2 3.59Å; T46-V334 PolarHBondContact O-N 2.82Å; M47-V334 HydrophobicContact CE-CG2 4.48Å; M47-V334 HydrophobicContact SD-CB 3.81Å; M47-V334 HydrophobicContact SD-CG2 4.18Å; V48-V334 PolarHBondContact N-O 2.86Å; P301-V334 HydrophobicContact CG-CG2 4.15Å; P301-V334 WeakPolarHBondContact O-CA 3.5Å; P301-V334 WeakPolarHBondContact O-CG1 3.33Å; A303-V334 HydrophobicContact CB-CG1 3.5Å; L323-V334 HydrophobicContact CD2-CB 4.03Å; L323-V334 HydrophobicContact CD2-CG1 3.61Å; L323-V334 HydrophobicContact CD2-CG2 3.96Å; V334-L336 HydrophobicContact CG1-CD2 4.44Å
335	V	98.9	Very high	97.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.5	168.1	-168.4	0	0	0	0	108.4	N50 M84 L137 Y257 L300 P301 Y302 A303	N50-V335 HydrophobicContact CB-CG1 3.57Å; M84-V335 HydrophobicContact CE-CG1 3.91Å; L137-V335 HydrophobicContact CD2-CG2 3.45Å; L137-V335 VanDerWaalsContact CD2-CG2 3.45Å; Y257-V335 HydrophobicContact CD1-CG2 4.34Å; Y257-V335 HydrophobicContact CE1-CG2 4.41Å; L300-V335 HydrophobicContact CB-CG2 4.24Å; P301-V335 PolarHBondContact O-N 3.41Å; Y302-V335 HydrophobicContact CD1-CB 4.38Å; Y302-V335 HydrophobicContact CD1-CG1 4.32Å; Y302-V335 HydrophobicContact CD2-CB 3.9Å; Y302-V335 HydrophobicContact CD2-CG1 4.39Å; Y302-V335 HydrophobicContact CD2-CG2 4.08Å; Y302-V335 HydrophobicContact CE1-CB 4.38Å; Y302-V335 HydrophobicContact CE1-CG1 3.91Å; Y302-V335 HydrophobicContact CE2-CB 3.9Å; Y302-V335 HydrophobicContact CE2-CG1 3.98Å; Y302-V335 HydrophobicContact CE2-CG2 3.9Å; Y302-V335 HydrophobicContact CG-CB 4.16Å; A303-V335 PolarHBondContact N-O 3.25Å
336	L	98.7	Very high	97.1	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.005	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	104.2	174.5	-63.2	175.9	0	0	0	109	V48 W49 N50 A303 V305 L323 V334 L360 I364	V48-L336 PolarHBondContact O-N 2.89Å; W49-L336 HydrophobicContact CE3-CB 4.07Å; W49-L336 HydrophobicContact CE3-CD1 4.01Å; W49-L336 HydrophobicContact CZ3-CB 4.4Å; W49-L336 HydrophobicContact CZ3-CD1 4.11Å; N50-L336 CarbonylContact C-O 3.5Å; N50-L336 WeakPolarHBondContact CA-O 3.37Å; N50-L336 PolarHBondContact N-O 2.94Å; A303-L336 HydrophobicContact CB-CD2 4.34Å; V305-L336 HydrophobicContact CG1-CB 4.42Å; V305-L336 HydrophobicContact CG1-CD1 4.41Å; V305-L336 HydrophobicContact CG1-CD2 4.32Å; L323-L336 HydrophobicContact CD1-CD2 4.5Å; L323-L336 HydrophobicContact CD2-CD2 3.96Å; V334-L336 HydrophobicContact CG1-CD2 4.44Å; L336-L360 HydrophobicContact CD1-CD2 4.41Å; L336-I364 HydrophobicContact CD1-CD1 3.9Å
337	W	98.1	Very high	97.1	Very high	37 Å²	37	32.5 Å²	32.5	14%	0.14	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	154.2	178.6	-177.5	88.8	0	0	0	112	N50 Y88 Y261 Y302 A303 R304 E339	N50-W337 WeakPolarHBondContact O-CA 3.31Å; Y88-W337 PolarHBondContact OH-NE1 3.15Å; Y261-W337 AromaticContact CE2-CE3 3.9Å; Y261-W337 HydrophobicContact CE2-CE3 3.9Å; Y261-W337 HydrophobicContact CE2-CZ3 4.06Å; Y261-W337 AromaticContact CZ-CE3 3.62Å; Y261-W337 WeakPolarHBondContact OH-CB 3.27Å; Y261-W337 VanDerWaalsContact OH-CD2 3.31Å; Y302-W337 HydrophobicContact CD1-CB 3.56Å; Y302-W337 HydrophobicContact CD1-CG 4.1Å; Y302-W337 HydrophobicContact CE1-CB 3.74Å; Y302-W337 AromaticContact CE1-CD1 3.9Å; Y302-W337 HydrophobicContact CE1-CG 4Å; A303-W337 PolarHBondContact O-N 2.98Å; R304-W337 HydrophobicContact CG-CE3 4.08Å; R304-W337 WeakPolarHBondContact CG-O 3.47Å; W337-E339 HydrophobicContact CH2-CB 4.23Å
338	G	94.3	Very high	97.1	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.			trans	-167.8	150.1	-179.5	0	0	0	0	0	111.1	P52	P52-G338 WeakPolarHBondContact CD-O 3.31Å
339	E	93	Very high	97.1	Very high	56 Å²	56	34 Å²	34	26%	0.262	17%	0.165	S	C	.	.			trans	-84.2	166	-178.9	65.7	-127.4	164.3	0	0	112.4	R304 W337 A341 F342	R304-E339 IonicContact CZ-OE1 2.79Å; R304-E339 IonicContact CZ-OE2 3.56Å; R304-E339 IonicContact NH1-OE1 2.95Å; R304-E339 IonicContact NH1-OE2 2.61Å; R304-E339 PolarHBondContact NH1-OE2 3.43Å; R304-E339 VanDerWaalsContact NH2-CD 3.27Å; R304-E339 IonicContact NH2-OE1 3.59Å; R304-E339 PolarHBondContact NH2-OE1 2.95Å; R304-E339 IonicContact NH2-OE2 2.77Å; R304-E339 PolarHBondContact NH2-OE2 3.36Å; W337-E339 HydrophobicContact CH2-CB 4.23Å; E339-A341 HydrophobicContact CG-CB 3.79Å; E339-A341 PolarHBondContact O-N 2.83Å; E339-F342 HydrophobicContact CG-CD2 4.45Å; E339-F342 HydrophobicContact CG-CE2 4.47Å; E339-F342 WeakPolarHBondContact O-CD2 3.26Å; E339-F342 PolarHBondContact O-N 3.31Å
340	Q	93.9	Very high	97.1	Very high	144 Å²	144	36.7 Å²	36.7	67%	0.673	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-56.3	-21.7	179.6	-166.9	178.4	16.3	0	0	113.6	P52 F342 A343 K344	P52-Q340 HydrophobicContact CG-CB 4.23Å; Q340-F342 PolarHBondContact O-N 3.31Å; Q340-F342 VanDerWaalsContact O-N 3.13Å; Q340-A343 CarbonylContact O-C 3.26Å; Q340-A343 PolarHBondContact O-N 3.18Å; Q340-K344 PolarHBondContact O-N 3.26Å; Q340-K344 VanDerWaalsContact O-N 3.11Å
341	A	96.4	Very high	97.2	Very high	30 Å²	30	39.2 Å²	39.2	25%	0.248	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-58.2	-26	178.6	0	0	0	0	0	114	L311 E339 A343 K344	L311-A341 HydrophobicContact CD1-CB 4.31Å; L311-A341 HydrophobicContact CD2-CB 3.95Å; E339-A341 HydrophobicContact CG-CB 3.79Å; E339-A341 PolarHBondContact O-N 2.83Å; A341-A343 VanDerWaalsContact C-N 3.3Å; A341-A343 PolarHBondContact O-N 3.04Å; A341-K344 WeakPolarHBondContact O-CG 3.42Å
342	F	95.8	Very high	97.3	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.009	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-70.7	-23	174.9	-73.1	-76.9	0	0	0	113.9	M51 V305 A306 L311 F313 E339 Q340 Q348 L352	M51-F342 HydrophobicContact CE-CB 3.79Å; M51-F342 HydrophobicContact CE-CD1 4.11Å; M51-F342 HydrophobicContact CE-CD2 3.48Å; M51-F342 VanDerWaalsContact CE-CD2 3.48Å; M51-F342 HydrophobicContact CE-CE2 4.09Å; M51-F342 HydrophobicContact CE-CG 3.51Å; V305-F342 HydrophobicContact CG2-CE1 4.26Å; V305-F342 HydrophobicContact CG2-CZ 4.29Å; A306-F342 HydrophobicContact CB-CE1 4.06Å; A306-F342 HydrophobicContact CB-CZ 3.62Å; L311-F342 HydrophobicContact CB-CE1 4.26Å; L311-F342 HydrophobicContact CD2-CD1 3.78Å; L311-F342 HydrophobicContact CD2-CD2 3.91Å; L311-F342 HydrophobicContact CD2-CE1 3.54Å; L311-F342 HydrophobicContact CD2-CE2 3.68Å; L311-F342 HydrophobicContact CD2-CG 3.95Å; L311-F342 HydrophobicContact CD2-CZ 3.46Å; L311-F342 VanDerWaalsContact CD2-CZ 3.46Å; F313-F342 HydrophobicContact CD1-CE1 4.31Å; F313-F342 AromaticContact CE1-CD1 3.83Å; F313-F342 HydrophobicContact CE1-CD1 3.83Å; F313-F342 AromaticContact CE1-CE1 3.51Å; F313-F342 HydrophobicContact CE1-CE1 3.51Å; F313-F342 AromaticContact CZ-CD1 3.8Å; F313-F342 HydrophobicContact CZ-CD1 3.8Å; F313-F342 AromaticContact CZ-CE1 3.76Å; F313-F342 HydrophobicContact CZ-CE1 3.76Å; E339-F342 HydrophobicContact CG-CD2 4.45Å; E339-F342 HydrophobicContact CG-CE2 4.47Å; E339-F342 WeakPolarHBondContact O-CD2 3.26Å; E339-F342 PolarHBondContact O-N 3.31Å; Q340-F342 PolarHBondContact O-N 3.31Å; Q340-F342 VanDerWaalsContact O-N 3.13Å; F342-Q348 CarbonylContact O-C 3.55Å; F342-Q348 WeakPolarHBondContact O-CB 3.43Å; F342-L352 HydrophobicContact CB-CD2 4.26Å
343	A	95.9	Very high	97.3	Very high	2 Å²	2	42.7 Å²	42.7	2%	0.017	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-123.1	18.3	-175.2	0	0	0	0	0	112.6	P52 T53 S55 Q340 A341	P52-A343 WeakPolarHBondContact O-CB 3.38Å; T53-A343 HydrophobicContact CG2-CB 4.27Å; S55-A343 VanDerWaalsContact OG-CB 3.3Å; S55-A343 WeakPolarHBondContact OG-CB 3.38Å; S55-A343 PolarHBondContact OG-O 2.93Å; Q340-A343 CarbonylContact O-C 3.26Å; Q340-A343 PolarHBondContact O-N 3.18Å; A341-A343 VanDerWaalsContact C-N 3.3Å; A341-A343 PolarHBondContact O-N 3.04Å
344	K	96.4	Very high	97.3	Very high	127 Å²	127	46.4 Å²	46.4	55%	0.552	22%	0.221	S	C	*	.	S	Bend	trans	-75.4	-21.8	-173.9	73.3	179.8	175.8	176.6	0	114.1	Y60 Q340 A341 Q348	Y60-K344 PolarHBondContact OH-O 3.15Å; Q340-K344 PolarHBondContact O-N 3.26Å; Q340-K344 VanDerWaalsContact O-N 3.11Å; A341-K344 WeakPolarHBondContact O-CG 3.42Å; K344-Q348 HydrophobicContact CG-CG 4.22Å
345	S	97.9	Very high	97.3	Very high	39 Å²	39	47 Å²	47	27%	0.273	22%	0.224	S	C	.	.	S	Bend	trans	-147.9	158.8	-177.6	69.7	0	0	0	0	111.4	Y60 H347 Q348 C349	Y60-S345 VanDerWaalsContact CE2-C 3.43Å; Y60-S345 WeakPolarHBondContact OH-CA 3.5Å; S345-H347 PolarHBondContact O-N 3.17Å; S345-Q348 PolarHBondContact O-N 3.31Å; S345-Q348 VanDerWaalsContact O-N 3.09Å; S345-Q348 WeakPolarHBondContact OG-CG 3.27Å; S345-Q348 PolarHBondContact OG-N 2.95Å; S345-C349 PolarHBondContact O-N 2.68Å
346	K	98.3	Very high	97.3	Very high	114 Å²	114	47 Å²	47	50%	0.496	22%	0.224	S	C	.	.	H	α-helix	trans	-48.8	-48.2	173.8	-172.9	179.4	-179.3	-178.8	0	111.9	Y60 I62 Q348 C349 E350	Y60-K346 HydrophobicContact CD1-CB 3.83Å; Y60-K346 HydrophobicContact CE1-CB 4.43Å; Y60-K346 HydrophobicContact CG-CB 3.95Å; I62-K346 HydrophobicContact CD1-CB 4.42Å; I62-K346 HydrophobicContact CD1-CG 3.63Å; I62-K346 WeakPolarHBondContact CD1-O 3.36Å; K346-Q348 PolarHBondContact O-N 3.31Å; K346-C349 WeakPolarHBondContact O-CB 3.5Å; K346-C349 PolarHBondContact O-N 3.01Å; K346-E350 VanDerWaalsContact CE-OE1 3.24Å; K346-E350 WeakPolarHBondContact CE-OE1 3.41Å; K346-E350 WeakPolarHBondContact O-CG 3.04Å; K346-E350 PolarHBondContact O-N 3.24Å
347	H	98.2	Very high	97.2	Very high	113 Å²	113	50.4 Å²	50.4	52%	0.523	24%	0.242	S	C	.	.	H	α-helix	trans	-61.2	-41.9	179.6	-178.3	55.8	0	0	0	113.2	S345 E350 I351	S345-H347 PolarHBondContact O-N 3.17Å; H347-E350 PolarHBondContact O-N 2.75Å; H347-I351 WeakPolarHBondContact NE2-CD1 3.46Å; H347-I351 WeakPolarHBondContact O-CG1 3.49Å; H347-I351 PolarHBondContact O-N 2.73Å
348	Q	98.1	Very high	97.1	Very high	33 Å²	33	52.8 Å²	52.8	15%	0.154	26%	0.264	C	S	.	.	H	α-helix	trans	-67.7	-38.3	177.3	-71.1	-63.1	-51.1	0	0	111.7	F342 K344 S345 K346 I351 L352	F342-Q348 CarbonylContact O-C 3.55Å; F342-Q348 WeakPolarHBondContact O-CB 3.43Å; K344-Q348 HydrophobicContact CG-CG 4.22Å; S345-Q348 PolarHBondContact O-N 3.31Å; S345-Q348 VanDerWaalsContact O-N 3.09Å; S345-Q348 WeakPolarHBondContact OG-CG 3.27Å; S345-Q348 PolarHBondContact OG-N 2.95Å; K346-Q348 PolarHBondContact O-N 3.31Å; Q348-I351 PolarHBondContact O-N 3.06Å; Q348-L352 WeakPolarHBondContact O-CB 3.39Å; Q348-L352 PolarHBondContact O-N 2.84Å
349	C	98.4	Very high	97.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-64	-38.2	173.7	-70.4	0	0	0	0	112.6	C56 I62 S345 K346 L352 R353	C56-C349 WeakPolarHBondContact CA-SG 3.41Å; C56-C349 HydrophobicContact CB-CB 3.69Å; C56-C349 WeakPolarHBondContact CB-SG 3.47Å; C56-C349 WeakPolarHBondContact SG-CB 3.31Å; C56-C349 CovalentContact SG-SG 2.04Å; C56-C349 PolarHBondContact SG-SG 3.3Å; I62-C349 HydrophobicContact CB-CB 4.14Å; I62-C349 HydrophobicContact CD1-CB 3.49Å; I62-C349 VanDerWaalsContact CD1-CB 3.49Å; I62-C349 HydrophobicContact CG1-CB 4.44Å; I62-C349 HydrophobicContact CG2-CB 4.08Å; S345-C349 PolarHBondContact O-N 2.68Å; K346-C349 WeakPolarHBondContact O-CB 3.5Å; K346-C349 PolarHBondContact O-N 3.01Å; C349-L352 PolarHBondContact O-N 3.44Å; C349-R353 WeakPolarHBondContact O-CB 3.39Å; C349-R353 PolarHBondContact O-N 2.85Å
350	E	98.6	Very high	97.5	Very high	61 Å²	61	53.1 Å²	53.1	29%	0.285	27%	0.266	S	S	.	.	H	α-helix	trans	-62.7	-49.3	174.1	-75.2	164.7	169.7	0	0	111.2	I62 K346 H347 L352 R353 D354	I62-E350 HydrophobicContact CD1-CG 3.66Å; I62-E350 HydrophobicContact CG1-CG 4.43Å; K346-E350 VanDerWaalsContact CE-OE1 3.24Å; K346-E350 WeakPolarHBondContact CE-OE1 3.41Å; K346-E350 WeakPolarHBondContact O-CG 3.04Å; K346-E350 PolarHBondContact O-N 3.24Å; H347-E350 PolarHBondContact O-N 2.75Å; E350-L352 VanDerWaalsContact C-N 3.31Å; E350-L352 PolarHBondContact O-N 3.04Å; E350-R353 WeakPolarHBondContact O-CB 3.09Å; E350-R353 PolarHBondContact O-N 3.14Å; E350-D354 WeakPolarHBondContact O-CB 3.03Å; E350-D354 PolarHBondContact O-N 2.79Å
351	I	98.4	Very high	97.7	Very high	60 Å²	60	46.2 Å²	46.2	31%	0.308	23%	0.234	S	C	.	.	H	α-helix	trans	-59.7	-44.2	177.4	-62.4	167.2	0	0	0	110.5	F313 H347 Q348 D354 Y355	F313-I351 HydrophobicContact CD2-CG2 4.3Å; F313-I351 HydrophobicContact CE2-CG2 3.58Å; F313-I351 HydrophobicContact CZ-CG2 4.48Å; H347-I351 WeakPolarHBondContact NE2-CD1 3.46Å; H347-I351 WeakPolarHBondContact O-CG1 3.49Å; H347-I351 PolarHBondContact O-N 2.73Å; Q348-I351 PolarHBondContact O-N 3.06Å; I351-D354 PolarHBondContact O-N 3.32Å; I351-Y355 WeakPolarHBondContact O-CB 3.22Å; I351-Y355 PolarHBondContact O-N 3.02Å
352	L	98.5	Very high	97.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-63.3	-45.4	179.2	180	62.8	0	0	0	111.7	W49 M51 T53 L64 F313 F342 Q348 C349 E350 D354 Y355 I356	W49-L352 HydrophobicContact CH2-CD1 4.36Å; W49-L352 HydrophobicContact CZ2-CD2 4.36Å; M51-L352 HydrophobicContact CE-CD1 4.44Å; T53-L352 HydrophobicContact CG2-CD2 3.68Å; L64-L352 HydrophobicContact CD1-CD2 3.75Å; L64-L352 HydrophobicContact CD1-CG 4.32Å; F313-L352 HydrophobicContact CE1-CD1 3.71Å; F313-L352 HydrophobicContact CZ-CB 4.41Å; F313-L352 HydrophobicContact CZ-CD1 3.88Å; F342-L352 HydrophobicContact CB-CD2 4.26Å; Q348-L352 WeakPolarHBondContact O-CB 3.39Å; Q348-L352 PolarHBondContact O-N 2.84Å; C349-L352 PolarHBondContact O-N 3.44Å; E350-L352 VanDerWaalsContact C-N 3.31Å; E350-L352 PolarHBondContact O-N 3.04Å; L352-D354 VanDerWaalsContact C-N 3.32Å; L352-D354 PolarHBondContact O-N 2.94Å; L352-Y355 PolarHBondContact O-N 3.12Å; L352-I356 HydrophobicContact CD1-CD1 4.12Å; L352-I356 HydrophobicContact CD1-CG1 4.37Å; L352-I356 HydrophobicContact CG-CD1 3.86Å; L352-I356 WeakPolarHBondContact O-CB 3.19Å; L352-I356 WeakPolarHBondContact O-CD1 3.28Å; L352-I356 VanDerWaalsContact O-CG1 3.24Å; L352-I356 WeakPolarHBondContact O-CG1 3.46Å; L352-I356 PolarHBondContact O-N 3.25Å
353	R	98.5	Very high	97.7	Very high	78 Å²	78	48.6 Å²	48.6	29%	0.294	24%	0.244	S	C	.	.	H	α-helix	trans	-56.4	-48.7	175	-178.9	-162	63.2	-153.9	-7	110.7	I62 L64 C349 E350 Y355 I356 N357	I62-R353 HydrophobicContact CG2-CB 4.16Å; L64-R353 HydrophobicContact CD2-CB 3.56Å; L64-R353 HydrophobicContact CD2-CG 4.22Å; C349-R353 WeakPolarHBondContact O-CB 3.39Å; C349-R353 PolarHBondContact O-N 2.85Å; E350-R353 WeakPolarHBondContact O-CB 3.09Å; E350-R353 PolarHBondContact O-N 3.14Å; R353-Y355 PolarHBondContact O-N 3.32Å; R353-I356 PolarHBondContact O-N 3.35Å; R353-N357 WeakPolarHBondContact O-CB 3.2Å; R353-N357 VanDerWaalsContact O-CG 3.31Å; R353-N357 PolarHBondContact O-N 3.18Å
354	D	98.5	Very high	97.8	Very high	77 Å²	77	48.5 Å²	48.5	41%	0.412	24%	0.243	S	C	.	.	H	α-helix	trans	-66.8	-39.4	-175.5	-64.2	-10.3	0	0	0	111	E350 I351 L352 N357 S358	E350-D354 WeakPolarHBondContact O-CB 3.03Å; E350-D354 PolarHBondContact O-N 2.79Å; I351-D354 PolarHBondContact O-N 3.32Å; L352-D354 VanDerWaalsContact C-N 3.32Å; L352-D354 PolarHBondContact O-N 2.94Å; D354-N357 PolarHBondContact O-N 2.86Å; D354-S358 VanDerWaalsContact O-CB 3.26Å; D354-S358 WeakPolarHBondContact O-CB 2.87Å; D354-S358 PolarHBondContact O-N 3.49Å; D354-S358 PolarHBondContact O-OG 3.1Å
355	Y	98.6	Very high	97.8	Very high	13 Å²	13	44 Å²	44	5%	0.051	23%	0.227	C	C	.	.	H	α-helix	trans	-64.4	-41.6	172	174.9	-107.3	0	0	0	113.1	V305 F313 L314 I351 L352 R353 N357 E359 L360	V305-Y355 HydrophobicContact CB-CE1 4.1Å; V305-Y355 PolarHBondContact O-OH 2.98Å; F313-Y355 HydrophobicContact CB-CD1 4.21Å; F313-Y355 HydrophobicContact CB-CD2 3.73Å; F313-Y355 HydrophobicContact CB-CE1 4.06Å; F313-Y355 HydrophobicContact CB-CE2 3.57Å; F313-Y355 HydrophobicContact CB-CG 4.05Å; F313-Y355 AromaticContact CD1-CD1 3.35Å; F313-Y355 HydrophobicContact CD1-CD1 3.35Å; F313-Y355 HydrophobicContact CD1-CD2 4.37Å; F313-Y355 AromaticContact CD1-CE1 3.49Å; F313-Y355 HydrophobicContact CD1-CE1 3.49Å; F313-Y355 VanDerWaalsContact CD1-CE1 3.49Å; F313-Y355 HydrophobicContact CD1-CE2 4.49Å; F313-Y355 AromaticContact CD1-CG 3.83Å; F313-Y355 HydrophobicContact CD1-CG 3.83Å; F313-Y355 HydrophobicContact CD2-CD1 4.45Å; F313-Y355 HydrophobicContact CD2-CD2 4.42Å; F313-Y355 HydrophobicContact CD2-CG 4.11Å; F313-Y355 AromaticContact CE1-CD1 3.76Å; F313-Y355 HydrophobicContact CE1-CD1 3.76Å; F313-Y355 HydrophobicContact CE1-CE1 4.22Å; F313-Y355 HydrophobicContact CE1-CG 4.31Å; F313-Y355 AromaticContact CG-CD1 3.75Å; F313-Y355 HydrophobicContact CG-CD1 3.75Å; F313-Y355 AromaticContact CG-CD2 3.92Å; F313-Y355 HydrophobicContact CG-CD2 3.92Å; F313-Y355 AromaticContact CG-CE1 3.97Å; F313-Y355 HydrophobicContact CG-CE1 3.97Å; F313-Y355 HydrophobicContact CG-CE2 4.15Å; F313-Y355 AromaticContact CG-CG 3.71Å; F313-Y355 HydrophobicContact CG-CG 3.71Å; F313-Y355 HydrophobicContact CZ-CD1 4.46Å; L314-Y355 VanDerWaalsContact O-CE2 3.31Å; L314-Y355 WeakPolarHBondContact O-CE2 3.29Å; L314-Y355 PolarHBondContact O-OH 3.07Å; I351-Y355 WeakPolarHBondContact O-CB 3.22Å; I351-Y355 PolarHBondContact O-N 3.02Å; L352-Y355 PolarHBondContact O-N 3.12Å; R353-Y355 PolarHBondContact O-N 3.32Å; Y355-N357 VanDerWaalsContact C-N 3.31Å; Y355-N357 PolarHBondContact O-N 3.12Å; Y355-E359 HydrophobicContact CD2-CB 3.97Å; Y355-E359 HydrophobicContact CE2-CB 3.82Å; Y355-E359 HydrophobicContact CE2-CG 3.97Å; Y355-E359 PolarHBondContact O-N 3.4Å; Y355-L360 HydrophobicContact CD1-CB 4.04Å; Y355-L360 HydrophobicContact CE1-CB 3.54Å; Y355-L360 HydrophobicContact CE1-CD1 4.48Å; Y355-L360 HydrophobicContact CE1-CD2 4.05Å; Y355-L360 HydrophobicContact CE1-CG 4.23Å; Y355-L360 PolarHBondContact O-N 2.89Å
356	I	98.4	Very high	97.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.217	C	C	.	.	I	π-helix	trans	-57.8	-47.9	174	-72.3	162.1	0	0	0	109.9	W49 L64 L66 F69 L352 R353 L360 G361	W49-I356 HydrophobicContact CH2-CD1 3.96Å; W49-I356 HydrophobicContact CH2-CG1 4.4Å; W49-I356 HydrophobicContact CZ2-CD1 4.32Å; L64-I356 HydrophobicContact CB-CD1 4.21Å; L64-I356 HydrophobicContact CD1-CD1 4.2Å; L64-I356 HydrophobicContact CD2-CD1 4.28Å; L64-I356 HydrophobicContact CG-CD1 4.47Å; L66-I356 HydrophobicContact CD2-CD1 3.9Å; L66-I356 HydrophobicContact CD2-CG2 4.3Å; F69-I356 HydrophobicContact CD2-CG2 3.88Å; F69-I356 HydrophobicContact CE2-CG2 3.7Å; L352-I356 HydrophobicContact CD1-CD1 4.12Å; L352-I356 HydrophobicContact CD1-CG1 4.37Å; L352-I356 HydrophobicContact CG-CD1 3.86Å; L352-I356 WeakPolarHBondContact O-CB 3.19Å; L352-I356 WeakPolarHBondContact O-CD1 3.28Å; L352-I356 VanDerWaalsContact O-CG1 3.24Å; L352-I356 WeakPolarHBondContact O-CG1 3.46Å; L352-I356 PolarHBondContact O-N 3.25Å; R353-I356 PolarHBondContact O-N 3.35Å; I356-L360 HydrophobicContact CG1-CD2 4.24Å; I356-G361 VanDerWaalsContact O-CA 3.24Å; I356-G361 WeakPolarHBondContact O-CA 3.32Å; I356-G361 PolarHBondContact O-N 3.34Å
357	N	97.9	Very high	97.6	Very high	73 Å²	73	37.3 Å²	37.3	39%	0.39	19%	0.194	S	C	.	.	I	π-helix	trans	-74.4	-33.3	-174.3	-70	-15.7	0	0	0	113.5	R353 D354 Y355	R353-N357 WeakPolarHBondContact O-CB 3.2Å; R353-N357 VanDerWaalsContact O-CG 3.31Å; R353-N357 PolarHBondContact O-N 3.18Å; D354-N357 PolarHBondContact O-N 2.86Å; Y355-N357 VanDerWaalsContact C-N 3.31Å; Y355-N357 PolarHBondContact O-N 3.12Å
358	S	95.6	Very high	97.5	Very high	86 Å²	86	32.9 Å²	32.9	60%	0.601	17%	0.173	S	C	*	.	I	π-helix	trans	-95.5	-29	-172.2	60.1	0	0	0	0	114.2	D354	D354-S358 VanDerWaalsContact O-CB 3.26Å; D354-S358 WeakPolarHBondContact O-CB 2.87Å; D354-S358 PolarHBondContact O-N 3.49Å; D354-S358 PolarHBondContact O-OG 3.1Å
359	E	96.7	Very high	97.3	Very high	63 Å²	63	35.2 Å²	35.2	29%	0.294	18%	0.181	S	C	.	.	I	π-helix	trans	-132.8	-61.3	-170.7	-170.5	157	-156.7	0	0	112.7	N315 K316 L319 Y355 Y363	N315-E359 WeakPolarHBondContact CA-OE1 3.33Å; K316-E359 PolarHBondContact N-OE1 3.05Å; L319-E359 HydrophobicContact CD1-CG 4.41Å; Y355-E359 HydrophobicContact CD2-CB 3.97Å; Y355-E359 HydrophobicContact CE2-CB 3.82Å; Y355-E359 HydrophobicContact CE2-CG 3.97Å; Y355-E359 PolarHBondContact O-N 3.4Å; E359-Y363 VanDerWaalsContact O-CB 3.29Å; E359-Y363 WeakPolarHBondContact O-CB 3.36Å; E359-Y363 PolarHBondContact O-N 2.88Å
360	L	98.3	Very high	97.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.182	C	C	.	.	I	π-helix	trans	-63.9	-50.7	-173.7	177.4	69.4	0	0	0	112.5	W49 V305 L319 L323 L336 Y355 I356 Y363 I364	W49-L360 HydrophobicContact CZ3-CD2 4.08Å; V305-L360 HydrophobicContact CB-CD2 4.39Å; V305-L360 HydrophobicContact CG1-CD1 4.42Å; V305-L360 HydrophobicContact CG1-CD2 3.6Å; L319-L360 HydrophobicContact CD1-CD1 4.27Å; L319-L360 HydrophobicContact CD2-CD1 3.82Å; L323-L360 HydrophobicContact CD1-CD1 4.32Å; L336-L360 HydrophobicContact CD1-CD2 4.41Å; Y355-L360 HydrophobicContact CD1-CB 4.04Å; Y355-L360 HydrophobicContact CE1-CB 3.54Å; Y355-L360 HydrophobicContact CE1-CD1 4.48Å; Y355-L360 HydrophobicContact CE1-CD2 4.05Å; Y355-L360 HydrophobicContact CE1-CG 4.23Å; Y355-L360 PolarHBondContact O-N 2.89Å; I356-L360 HydrophobicContact CG1-CD2 4.24Å; L360-Y363 PolarHBondContact O-N 3.49Å; L360-I364 HydrophobicContact CD1-CD1 3.74Å; L360-I364 HydrophobicContact CD1-CG1 4.25Å; L360-I364 HydrophobicContact CD2-CD1 4.45Å; L360-I364 HydrophobicContact CG-CD1 3.77Å; L360-I364 WeakPolarHBondContact O-CB 3.48Å; L360-I364 VanDerWaalsContact O-CG1 3.3Å; L360-I364 WeakPolarHBondContact O-CG1 3.37Å; L360-I364 PolarHBondContact O-N 3.47Å
361	G	97.8	Very high	97	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-65.3	-41.4	-177	0	0	0	0	0	112.4	F69 I356 I364 S365	F69-G361 WeakPolarHBondContact CD1-O 3.45Å; I356-G361 VanDerWaalsContact O-CA 3.24Å; I356-G361 WeakPolarHBondContact O-CA 3.32Å; I356-G361 PolarHBondContact O-N 3.34Å; G361-I364 PolarHBondContact O-N 3.08Å; G361-S365 WeakPolarHBondContact O-CB 3.38Å; G361-S365 PolarHBondContact O-N 3.4Å; G361-S365 PolarHBondContact O-OG 2.82Å
362	V	95.6	Very high	96.9	Very high	70 Å²	70	32.4 Å²	32.4	42%	0.424	17%	0.168	S	C	.	.	H	α-helix	trans	-61.1	-48.1	175	178.7	0	0	0	0	110.5	S365 T366	V362-S365 PolarHBondContact O-N 2.84Å; V362-T366 WeakPolarHBondContact O-CB 3.09Å; V362-T366 PolarHBondContact O-N 2.73Å; V362-T366 VanDerWaalsContact O-N 3.12Å; V362-T366 PolarHBondContact O-OG1 3.42Å; V362-T366 VanDerWaalsContact O-OG1 3.09Å
363	Y	97.3	Very high	96.7	Very high	12 Å²	12	34.8 Å²	34.8	5%	0.047	18%	0.177	C	C	.	.	H	α-helix	trans	-62	-47.7	178	177.9	-91.3	0	0	0	111.9	K316 L319 E320 L323 G324 E359 L360 S365 T366 L367 L398	K316-Y363 HydrophobicContact CG-CD2 4.13Å; L319-Y363 HydrophobicContact CB-CD1 3.78Å; L319-Y363 HydrophobicContact CB-CD2 4.37Å; L319-Y363 HydrophobicContact CB-CE1 3.8Å; L319-Y363 HydrophobicContact CB-CE2 4.38Å; L319-Y363 HydrophobicContact CB-CG 4.09Å; L319-Y363 HydrophobicContact CD1-CD1 4.09Å; L319-Y363 HydrophobicContact CD1-CG 4.01Å; L319-Y363 HydrophobicContact CG-CD1 4.47Å; L319-Y363 PolarHBondContact O-OH 3.31Å; E320-Y363 VanDerWaalsContact CA-OH 3.31Å; E320-Y363 WeakPolarHBondContact CA-OH 3.35Å; E320-Y363 HydrophobicContact CG-CE2 3.56Å; L323-Y363 HydrophobicContact CB-CE1 3.88Å; L323-Y363 HydrophobicContact CD1-CD1 4.24Å; L323-Y363 HydrophobicContact CD1-CE1 4.17Å; G324-Y363 VanDerWaalsContact CA-OH 3.27Å; G324-Y363 WeakPolarHBondContact CA-OH 3.35Å; G324-Y363 PolarHBondContact N-OH 2.78Å; E359-Y363 VanDerWaalsContact O-CB 3.29Å; E359-Y363 WeakPolarHBondContact O-CB 3.36Å; E359-Y363 PolarHBondContact O-N 2.88Å; L360-Y363 PolarHBondContact O-N 3.49Å; Y363-S365 VanDerWaalsContact C-N 3.35Å; Y363-S365 PolarHBondContact O-N 3.45Å; Y363-T366 PolarHBondContact O-N 3Å; Y363-L367 HydrophobicContact CE1-CB 4.32Å; Y363-L367 HydrophobicContact CE1-CD2 3.83Å; Y363-L367 WeakPolarHBondContact O-CB 3.23Å; Y363-L367 PolarHBondContact O-N 3.19Å; Y363-L398 HydrophobicContact CD2-CD1 4.38Å; Y363-L398 HydrophobicContact CE2-CD1 4.04Å; Y363-L398 HydrophobicContact CE2-CD2 4.29Å
364	I	97.9	Very high	96.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.4	-46.7	179.1	-76	172.6	0	0	0	111.2	M47 I71 L323 L336 L360 G361 T366 L367 K368	M47-I364 HydrophobicContact CB-CG2 4.37Å; M47-I364 HydrophobicContact CE-CG1 4.26Å; M47-I364 HydrophobicContact CG-CD1 4.22Å; M47-I364 HydrophobicContact CG-CG1 4.25Å; M47-I364 HydrophobicContact CG-CG2 3.7Å; I71-I364 HydrophobicContact CD1-CD1 3.73Å; I71-I364 HydrophobicContact CG1-CD1 4.06Å; I71-I364 HydrophobicContact CG1-CG2 4.19Å; L323-I364 HydrophobicContact CD1-CD1 4.5Å; L323-I364 HydrophobicContact CD1-CG1 4.11Å; L336-I364 HydrophobicContact CD1-CD1 3.9Å; L360-I364 HydrophobicContact CD1-CD1 3.74Å; L360-I364 HydrophobicContact CD1-CG1 4.25Å; L360-I364 HydrophobicContact CD2-CD1 4.45Å; L360-I364 HydrophobicContact CG-CD1 3.77Å; L360-I364 WeakPolarHBondContact O-CB 3.48Å; L360-I364 VanDerWaalsContact O-CG1 3.3Å; L360-I364 WeakPolarHBondContact O-CG1 3.37Å; L360-I364 PolarHBondContact O-N 3.47Å; G361-I364 PolarHBondContact O-N 3.08Å; I364-T366 PolarHBondContact O-N 3.46Å; I364-L367 PolarHBondContact O-N 3.36Å; I364-K368 HydrophobicContact CG2-CD 3.76Å; I364-K368 HydrophobicContact CG2-CG 4.34Å; I364-K368 WeakPolarHBondContact O-CB 3.39Å; I364-K368 VanDerWaalsContact O-CG 3.29Å; I364-K368 WeakPolarHBondContact O-CG 3.44Å; I364-K368 PolarHBondContact O-N 2.98Å
365	S	95.8	Very high	96.4	Very high	31 Å²	31	27.5 Å²	27.5	22%	0.217	14%	0.144	C	C	.	.	H	α-helix	trans	-62.5	-45.9	-178	-60.1	0	0	0	0	111.4	F69 G361 V362 Y363 K368 R369	F69-S365 WeakPolarHBondContact CD1-OG 3.44Å; G361-S365 WeakPolarHBondContact O-CB 3.38Å; G361-S365 PolarHBondContact O-N 3.4Å; G361-S365 PolarHBondContact O-OG 2.82Å; V362-S365 PolarHBondContact O-N 2.84Å; Y363-S365 VanDerWaalsContact C-N 3.35Å; Y363-S365 PolarHBondContact O-N 3.45Å; S365-K368 PolarHBondContact O-N 2.75Å; S365-R369 WeakPolarHBondContact O-CG 3.34Å; S365-R369 PolarHBondContact O-N 3.35Å
366	T	95.3	Very high	96.2	Very high	10 Å²	10	32 Å²	32	6%	0.061	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-42.4	178.3	-65.5	0	0	0	0	112.1	V362 Y363 I364 R369 G370 L398 S399	V362-T366 WeakPolarHBondContact O-CB 3.09Å; V362-T366 PolarHBondContact O-N 2.73Å; V362-T366 VanDerWaalsContact O-N 3.12Å; V362-T366 PolarHBondContact O-OG1 3.42Å; V362-T366 VanDerWaalsContact O-OG1 3.09Å; Y363-T366 PolarHBondContact O-N 3Å; I364-T366 PolarHBondContact O-N 3.46Å; T366-R369 PolarHBondContact OG1-NH2 2.99Å; T366-R369 VanDerWaalsContact OG1-NH2 3.12Å; T366-G370 PolarHBondContact O-N 2.84Å; T366-G370 VanDerWaalsContact O-N 3.12Å; T366-L398 HydrophobicContact CG2-CB 3.48Å; T366-L398 VanDerWaalsContact CG2-CB 3.48Å; T366-L398 HydrophobicContact CG2-CD1 4.41Å; T366-L398 HydrophobicContact CG2-CD2 4.06Å; T366-L398 HydrophobicContact CG2-CG 4.16Å; T366-S399 WeakPolarHBondContact CG2-O 3.42Å
367	L	96.6	Very high	95.9	Very high	3 Å²	3	36 Å²	36	2%	0.016	18%	0.184	C	C	.	.	H	α-helix	trans	-61.9	-49.7	175.1	178.6	62.1	0	0	0	111.2	F45 M47 L323 A327 Y363 I364 R369 G370 V371 L398	F45-L367 HydrophobicContact CE1-CD2 3.89Å; F45-L367 HydrophobicContact CE1-CG 4.5Å; M47-L367 HydrophobicContact CE-CD2 4.02Å; L323-L367 HydrophobicContact CB-CD2 4.08Å; A327-L367 HydrophobicContact CB-CD1 3.84Å; A327-L367 HydrophobicContact CB-CD2 4.14Å; A327-L367 HydrophobicContact CB-CG 4.21Å; Y363-L367 HydrophobicContact CE1-CB 4.32Å; Y363-L367 HydrophobicContact CE1-CD2 3.83Å; Y363-L367 WeakPolarHBondContact O-CB 3.23Å; Y363-L367 PolarHBondContact O-N 3.19Å; I364-L367 PolarHBondContact O-N 3.36Å; L367-R369 VanDerWaalsContact C-N 3.33Å; L367-R369 PolarHBondContact O-N 3.17Å; L367-G370 PolarHBondContact O-N 3.26Å; L367-G370 VanDerWaalsContact O-N 3.1Å; L367-V371 HydrophobicContact CD1-CG2 4.4Å; L367-V371 HydrophobicContact CG-CG2 4.5Å; L367-V371 WeakPolarHBondContact O-CG2 3.45Å; L367-V371 PolarHBondContact O-N 2.87Å; L367-L398 HydrophobicContact CB-CD2 4.07Å; L367-L398 HydrophobicContact CD1-CD2 4.11Å
368	K	96.1	Very high	95.7	Very high	20 Å²	20	33.6 Å²	33.6	9%	0.087	17%	0.17	C	C	.	.	H	α-helix	trans	-62.8	-38.4	-178.2	-73.8	-179.6	64.8	169.8	0	112.5	F45 M47 D70 I364 S365 V371 Q372	F45-K368 HydrophobicContact CD1-CG 4.49Å; F45-K368 WeakPolarHBondContact O-CE 3.34Å; M47-K368 HydrophobicContact CG-CD 4.16Å; D70-K368 VanDerWaalsContact CG-NZ 3.27Å; D70-K368 PolarHBondContact O-NZ 3.07Å; D70-K368 WeakPolarHBondContact OD2-CE 3.24Å; D70-K368 IonicContact OD2-NZ 3.49Å; D70-K368 PolarHBondContact OD2-NZ 3.41Å; I364-K368 HydrophobicContact CG2-CD 3.76Å; I364-K368 HydrophobicContact CG2-CG 4.34Å; I364-K368 WeakPolarHBondContact O-CB 3.39Å; I364-K368 VanDerWaalsContact O-CG 3.29Å; I364-K368 WeakPolarHBondContact O-CG 3.44Å; I364-K368 PolarHBondContact O-N 2.98Å; S365-K368 PolarHBondContact O-N 2.75Å; K368-V371 PolarHBondContact O-N 3.03Å; K368-Q372 WeakPolarHBondContact O-CB 3.24Å; K368-Q372 PolarHBondContact O-N 2.85Å
369	R	95	Very high	95.7	Very high	82 Å²	82	29.5 Å²	29.5	31%	0.309	14%	0.141	S	C	.	.	H	α-helix	trans	-60.7	-44.1	171.6	-73.9	-176.5	-61.2	-175.2	2.9	112.1	S365 T366 L367 V371 Q372 R373 S399 S401	S365-R369 WeakPolarHBondContact O-CG 3.34Å; S365-R369 PolarHBondContact O-N 3.35Å; T366-R369 PolarHBondContact OG1-NH2 2.99Å; T366-R369 VanDerWaalsContact OG1-NH2 3.12Å; L367-R369 VanDerWaalsContact C-N 3.33Å; L367-R369 PolarHBondContact O-N 3.17Å; R369-V371 PolarHBondContact O-N 2.91Å; R369-Q372 PolarHBondContact O-N 3.25Å; R369-R373 WeakPolarHBondContact O-CB 3.31Å; R369-R373 PolarHBondContact O-N 2.89Å; R369-S399 PolarHBondContact NE-O 2.86Å; R369-S399 PolarHBondContact NH2-O 2.96Å; R369-S401 PolarHBondContact NH1-OG 3.25Å
370	G	94.5	Very high	95.7	Very high	3 Å²	3	31.5 Å²	31.5	3%	0.031	15%	0.15	C	C	.	.	H	α-helix	trans	-60.2	-44	175.3	0	0	0	0	0	112.7	T366 L367 C374 I396	T366-G370 PolarHBondContact O-N 2.84Å; T366-G370 VanDerWaalsContact O-N 3.12Å; L367-G370 PolarHBondContact O-N 3.26Å; L367-G370 VanDerWaalsContact O-N 3.1Å; G370-C374 WeakPolarHBondContact O-CB 3.1Å; G370-C374 PolarHBondContact O-N 2.73Å; G370-I396 VanDerWaalsContact C-CG2 3.43Å
371	V	95.9	Very high	95.5	Very high	7 Å²	7	33 Å²	33	4%	0.042	17%	0.166	C	C	.	.	H	α-helix	trans	-64.8	-44.2	176	179.7	0	0	0	0	111	P44 F45 A327 L367 K368 R369 C374 S375 I396	P44-V371 HydrophobicContact CB-CG1 3.93Å; P44-V371 HydrophobicContact CG-CG1 3.69Å; F45-V371 HydrophobicContact CB-CB 4.25Å; F45-V371 HydrophobicContact CB-CG1 3.63Å; F45-V371 HydrophobicContact CB-CG2 4.25Å; F45-V371 HydrophobicContact CD1-CG2 4.35Å; F45-V371 HydrophobicContact CG-CG2 4.49Å; A327-V371 HydrophobicContact CB-CG2 3.83Å; L367-V371 HydrophobicContact CD1-CG2 4.4Å; L367-V371 HydrophobicContact CG-CG2 4.5Å; L367-V371 WeakPolarHBondContact O-CG2 3.45Å; L367-V371 PolarHBondContact O-N 2.87Å; K368-V371 PolarHBondContact O-N 3.03Å; R369-V371 PolarHBondContact O-N 2.91Å; V371-C374 PolarHBondContact O-N 3.43Å; V371-S375 PolarHBondContact O-N 2.97Å; V371-I396 HydrophobicContact CB-CD1 4.5Å; V371-I396 HydrophobicContact CG2-CD1 3.75Å; V371-I396 HydrophobicContact CG2-CG2 4.46Å
372	Q	95.9	Very high	95.5	Very high	53 Å²	53	34.7 Å²	34.7	25%	0.248	18%	0.175	C	C	.	.	H	α-helix	trans	-58.4	-52.6	177.6	-174.5	67.2	26.7	0	0	110.9	G42 K368 R369 C374 S375 E376	G42-Q372 PolarHBondContact O-OE1 3.46Å; K368-Q372 WeakPolarHBondContact O-CB 3.24Å; K368-Q372 PolarHBondContact O-N 2.85Å; R369-Q372 PolarHBondContact O-N 3.25Å; Q372-C374 VanDerWaalsContact C-N 3.29Å; Q372-C374 PolarHBondContact O-N 2.79Å; Q372-S375 WeakPolarHBondContact O-CB 3.47Å; Q372-S375 PolarHBondContact O-N 3.32Å; Q372-S375 VanDerWaalsContact O-N 3.07Å; Q372-E376 WeakPolarHBondContact CG-OE1 3Å; Q372-E376 PolarHBondContact NE2-OE1 2.97Å; Q372-E376 WeakPolarHBondContact O-CG 3.35Å; Q372-E376 PolarHBondContact O-N 3.49Å
373	R	94.3	Very high	95.5	Very high	49 Å²	49	31.4 Å²	31.4	19%	0.185	16%	0.155	C	C	.	.	H	α-helix	trans	-55.6	-45.2	177	-178.5	178	176.5	-156.4	-6.6	111.2	R369 S375 E376 E377 P409 D412	R369-R373 WeakPolarHBondContact O-CB 3.31Å; R369-R373 PolarHBondContact O-N 2.89Å; R373-S375 PolarHBondContact O-N 2.9Å; R373-E376 PolarHBondContact O-N 2.96Å; R373-E377 HydrophobicContact CG-CG 4.08Å; R373-E377 WeakPolarHBondContact CG-OE1 3.39Å; R373-E377 VanDerWaalsContact CG-OE2 3.31Å; R373-E377 WeakPolarHBondContact CG-OE2 3.26Å; R373-E377 IonicContact CZ-OE1 3.72Å; R373-E377 IonicContact CZ-OE2 3.81Å; R373-E377 VanDerWaalsContact NE-CD 3.32Å; R373-E377 IonicContact NE-OE1 2.87Å; R373-E377 PolarHBondContact NE-OE1 2.02Å; R373-E377 IonicContact NE-OE2 3.1Å; R373-E377 PolarHBondContact NE-OE2 3.3Å; R373-E377 VanDerWaalsContact NE-OE2 3.1Å; R373-E377 IonicContact NH2-OE1 3.65Å; R373-E377 IonicContact NH2-OE2 3.75Å; R373-E377 VanDerWaalsContact O-CB 3.29Å; R373-E377 WeakPolarHBondContact O-CB 3.19Å; R373-E377 WeakPolarHBondContact O-CG 3.46Å; R373-E377 PolarHBondContact O-N 3.33Å; R373-P409 PolarHBondContact NH2-O 3.07Å; R373-D412 IonicContact NH1-OD2 2.64Å; R373-D412 PolarHBondContact NH1-OD2 2.92Å
374	C	95.1	Very high	95.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-61.1	-46.2	176.2	-166.8	0	0	0	0	111.9	G370 V371 Q372 E376 R378 C385 L416	G370-C374 WeakPolarHBondContact O-CB 3.1Å; G370-C374 PolarHBondContact O-N 2.73Å; V371-C374 PolarHBondContact O-N 3.43Å; Q372-C374 VanDerWaalsContact C-N 3.29Å; Q372-C374 PolarHBondContact O-N 2.79Å; C374-E376 VanDerWaalsContact C-N 3.35Å; C374-E376 PolarHBondContact O-N 3.33Å; C374-R378 WeakPolarHBondContact O-CA 3.46Å; C374-R378 WeakPolarHBondContact O-CB 3.24Å; C374-R378 WeakPolarHBondContact O-CG 3.2Å; C374-R378 PolarHBondContact O-N 2.92Å; C374-C385 HydrophobicContact CB-CB 3.91Å; C374-C385 WeakPolarHBondContact CB-SG 3.31Å; C374-C385 PolarHBondContact O-SG 3.36Å; C374-C385 WeakPolarHBondContact SG-CB 3.49Å; C374-C385 CovalentContact SG-SG 2.02Å; C374-C385 PolarHBondContact SG-SG 2.64Å; C374-L416 HydrophobicContact CB-CD1 4.04Å; C374-L416 HydrophobicContact CB-CD2 4.25Å
375	S	96.4	Very high	95.3	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.014	16%	0.155	C	C	.	.	H	α-helix	trans	-58.4	-45.4	177.4	-176.8	0	0	0	0	111.9	V371 Q372 R373 C379 H380 G381 G383	V371-S375 PolarHBondContact O-N 2.97Å; Q372-S375 WeakPolarHBondContact O-CB 3.47Å; Q372-S375 PolarHBondContact O-N 3.32Å; Q372-S375 VanDerWaalsContact O-N 3.07Å; R373-S375 PolarHBondContact O-N 2.9Å; S375-C379 CarbonylContact O-C 3.12Å; S375-C379 WeakPolarHBondContact O-CA 3.5Å; S375-C379 VanDerWaalsContact O-CB 3.26Å; S375-C379 WeakPolarHBondContact O-CB 3.4Å; S375-C379 PolarHBondContact O-N 3.48Å; S375-H380 PolarHBondContact O-N 3.16Å; S375-H380 VanDerWaalsContact O-N 3.17Å; S375-G381 PolarHBondContact O-N 3.25Å; S375-G383 WeakPolarHBondContact CB-O 3.31Å; S375-G383 PolarHBondContact OG-O 2.84Å
376	E	94.5	Very high	95.3	Very high	108 Å²	108	30.2 Å²	30.2	51%	0.505	15%	0.147	S	C	.	.	H	α-helix	trans	-69.5	-51.7	-179.3	-69.9	171.3	173.6	0	0	112.3	Q372 R373 C374 H380	Q372-E376 WeakPolarHBondContact CG-OE1 3Å; Q372-E376 PolarHBondContact NE2-OE1 2.97Å; Q372-E376 WeakPolarHBondContact O-CG 3.35Å; Q372-E376 PolarHBondContact O-N 3.49Å; R373-E376 PolarHBondContact O-N 2.96Å; C374-E376 VanDerWaalsContact C-N 3.35Å; C374-E376 PolarHBondContact O-N 3.33Å; E376-H380 WeakPolarHBondContact O-CA 2.94Å; E376-H380 PolarHBondContact O-N 3.29Å
377	E	91.7	Very high	95.4	Very high	83 Å²	83	30.1 Å²	30.1	39%	0.388	15%	0.145	S	C	.	.	H	α-helix	trans	-77.6	-30.9	-173.3	-65.3	177.5	166	0	0	113.3	R373 L413	R373-E377 HydrophobicContact CG-CG 4.08Å; R373-E377 WeakPolarHBondContact CG-OE1 3.39Å; R373-E377 VanDerWaalsContact CG-OE2 3.31Å; R373-E377 WeakPolarHBondContact CG-OE2 3.26Å; R373-E377 IonicContact CZ-OE1 3.72Å; R373-E377 IonicContact CZ-OE2 3.81Å; R373-E377 VanDerWaalsContact NE-CD 3.32Å; R373-E377 IonicContact NE-OE1 2.87Å; R373-E377 PolarHBondContact NE-OE1 2.02Å; R373-E377 IonicContact NE-OE2 3.1Å; R373-E377 PolarHBondContact NE-OE2 3.3Å; R373-E377 VanDerWaalsContact NE-OE2 3.1Å; R373-E377 IonicContact NH2-OE1 3.65Å; R373-E377 IonicContact NH2-OE2 3.75Å; R373-E377 VanDerWaalsContact O-CB 3.29Å; R373-E377 WeakPolarHBondContact O-CB 3.19Å; R373-E377 WeakPolarHBondContact O-CG 3.46Å; R373-E377 PolarHBondContact O-N 3.33Å; E377-L413 HydrophobicContact CB-CD2 4.1Å; E377-L413 HydrophobicContact CG-CD2 4.33Å; E377-L413 WeakPolarHBondContact OE2-CD2 3.19Å
378	R	94	Very high	95.3	Very high	24 Å²	24	35.4 Å²	35.4	9%	0.091	17%	0.165	C	C	.	.	H	α-helix	trans	-99.3	-36.6	-178.3	-56.2	-64.5	-60.6	146.4	8.9	112.8	C374 L416 R417 C422 K432	C374-R378 WeakPolarHBondContact O-CA 3.46Å; C374-R378 WeakPolarHBondContact O-CB 3.24Å; C374-R378 WeakPolarHBondContact O-CG 3.2Å; C374-R378 PolarHBondContact O-N 2.92Å; R378-L416 HydrophobicContact CG-CB 4.16Å; R378-L416 PolarHBondContact NE-O 3.49Å; R378-R417 PolarHBondContact NH2-O 2.74Å; R378-C422 PolarHBondContact O-SG 2.9Å; R378-K432 VanDerWaalsContact O-CB 3.23Å; R378-K432 WeakPolarHBondContact O-CB 3.33Å; R378-K432 WeakPolarHBondContact O-CG 3.43Å
379	C	96.1	Very high	95.4	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-120.7	15.8	-167.6	-46.2	0	0	0	0	113.5	S375 G381 N382 C422 K432	S375-C379 CarbonylContact O-C 3.12Å; S375-C379 WeakPolarHBondContact O-CA 3.5Å; S375-C379 VanDerWaalsContact O-CB 3.26Å; S375-C379 WeakPolarHBondContact O-CB 3.4Å; S375-C379 PolarHBondContact O-N 3.48Å; C379-G381 PolarHBondContact O-N 2.78Å; C379-N382 PolarHBondContact O-N 3.37Å; C379-C422 WeakPolarHBondContact CA-SG 3.37Å; C379-C422 HydrophobicContact CB-CB 3.79Å; C379-C422 WeakPolarHBondContact CB-SG 3.24Å; C379-C422 VanDerWaalsContact SG-CA 3.52Å; C379-C422 WeakPolarHBondContact SG-CB 3.31Å; C379-C422 CovalentContact SG-SG 2.04Å; C379-C422 PolarHBondContact SG-SG 3.28Å; C379-K432 CarbonylContact C-O 3.42Å; C379-K432 WeakPolarHBondContact CA-O 3.49Å
380	H	95.3	Very high	95.4	Very high	104 Å²	104	36.5 Å²	36.5	48%	0.481	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.9	23.1	-179.5	-68.9	-101.9	0	0	0	114.4	S375 E376 N382 K432	S375-H380 PolarHBondContact O-N 3.16Å; S375-H380 VanDerWaalsContact O-N 3.17Å; E376-H380 WeakPolarHBondContact O-CA 2.94Å; E376-H380 PolarHBondContact O-N 3.29Å; H380-N382 PolarHBondContact O-N 3.43Å; H380-N382 PolarHBondContact O-ND2 2.95Å; H380-K432 PolarHBondContact CD2-O 2.97Å; H380-K432 VanDerWaalsContact CD2-O 3.28Å
381	G	95.5	Very high	95.5	Very high	33 Å²	33	41.8 Å²	41.8	34%	0.34	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.2	2.3	-173	0	0	0	0	0	114.5	S375 C379	S375-G381 PolarHBondContact O-N 3.25Å; C379-G381 PolarHBondContact O-N 2.78Å
382	N	96.3	Very high	95.5	Very high	35 Å²	35	42.4 Å²	42.4	19%	0.187	21%	0.205	C	C	.	.	S	Bend	trans	-106.5	10.9	-172.8	-63.3	-40.2	0	0	0	113.3	C379 H380 Y425 W428 C433	C379-N382 PolarHBondContact O-N 3.37Å; H380-N382 PolarHBondContact O-N 3.43Å; H380-N382 PolarHBondContact O-ND2 2.95Å; N382-Y425 VanDerWaalsContact O-CD2 3.29Å; N382-Y425 WeakPolarHBondContact O-CD2 3.41Å; N382-Y425 PolarHBondContact O-N 2.96Å; N382-W428 HydrophobicContact CB-CB 4.19Å; N382-W428 HydrophobicContact CB-CD2 3.51Å; N382-W428 HydrophobicContact CB-CE3 3.95Å; N382-W428 HydrophobicContact CB-CG 3.62Å; N382-W428 HydrophobicContact CB-CZ2 4.35Å; N382-W428 VanDerWaalsContact CG-CD2 3.47Å; N382-W428 VanDerWaalsContact CG-CZ2 3.41Å; N382-W428 WeakPolarHBondContact ND2-CH2 3.41Å; N382-W428 WeakPolarHBondContact ND2-CZ2 3.29Å; N382-W428 WeakPolarHBondContact ND2-CZ3 3.23Å; N382-W428 VanDerWaalsContact OD1-CE2 3.25Å; N382-W428 WeakPolarHBondContact OD1-CZ2 3.41Å; N382-C433 HydrophobicContact CB-CB 3.85Å; N382-C433 WeakPolarHBondContact CB-O 3.07Å; N382-C433 PolarHBondContact ND2-O 3.3Å
383	G	95.8	Very high	95.4	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	167.8	176.2	0	0	0	0	0	111.8	S375 Q423	S375-G383 WeakPolarHBondContact CB-O 3.31Å; S375-G383 PolarHBondContact OG-O 2.84Å; G383-Q423 CarbonylContact C-O 3.33Å; G383-Q423 VanDerWaalsContact CA-O 3.24Å; G383-Q423 WeakPolarHBondContact CA-O 3.41Å
384	R	94.8	Very high	95.5	Very high	11 Å²	11	46.5 Å²	46.5	4%	0.042	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	144.7	172.5	63.6	-173.9	73.9	-111.7	3.6	109.6	A35 A36 P44 G330 M331 A332 Q423 Y425	A35-R384 HydrophobicContact CB-CG 4.45Å; A36-R384 PolarHBondContact O-NH2 3.14Å; P44-R384 PolarHBondContact O-NH1 3.22Å; G330-R384 WeakPolarHBondContact O-CD 3.45Å; M331-R384 PolarHBondContact O-NH1 2.89Å; M331-R384 VanDerWaalsContact O-NH1 3.14Å; A332-R384 VanDerWaalsContact CA-NH1 3.33Å; R384-Q423 HydrophobicContact CG-CB 3.75Å; R384-Q423 PolarHBondContact N-O 3.06Å; R384-Q423 PolarHBondContact O-N 2.78Å; R384-Y425 HydrophobicContact CB-CE1 4.25Å
385	C	95.7	Very high	95.5	Very high	3 Å²	3	49.2 Å²	49.2	2%	0.02	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	138.8	168.8	-70.8	0	0	0	0	110.4	G330 C374 F420 L421	G330-C385 WeakPolarHBondContact CA-O 3.4Å; C374-C385 HydrophobicContact CB-CB 3.91Å; C374-C385 WeakPolarHBondContact CB-SG 3.31Å; C374-C385 PolarHBondContact O-SG 3.36Å; C374-C385 WeakPolarHBondContact SG-CB 3.49Å; C374-C385 CovalentContact SG-SG 2.02Å; C374-C385 PolarHBondContact SG-SG 2.64Å; C385-F420 HydrophobicContact CB-CB 4.49Å; C385-F420 HydrophobicContact CB-CD1 4.29Å; C385-L421 WeakPolarHBondContact CA-O 3.35Å
386	A	96.7	Very high	95.3	Very high	4 Å²	4	49.5 Å²	49.5	3%	0.033	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	145.3	168.4	0	0	0	0	0	109.5	A328 R388 F420 L421 Q423	A328-A386 CarbonylContact O-C 3.58Å; A386-R388 PolarHBondContact O-N 3.07Å; A386-F420 WeakPolarHBondContact O-CA 3.38Å; A386-L421 HydrophobicContact CB-CD1 4.17Å; A386-L421 PolarHBondContact N-O 3.45Å; A386-L421 PolarHBondContact O-N 3.15Å; A386-Q423 VanDerWaalsContact CB-CD 3.48Å; A386-Q423 HydrophobicContact CB-CG 3.89Å
387	R	96.6	Very high	95	Very high	8 Å²	8	45.6 Å²	45.6	3%	0.03	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	130.7	177.5	-168.7	-171.4	-77.3	156.6	-3	109.4	E325 A328 D389 P390 S392 H394 M395 F420	E325-R387 IonicContact OE1-CZ 2.73Å; E325-R387 IonicContact OE1-NH1 2.75Å; E325-R387 PolarHBondContact OE1-NH1 3.02Å; E325-R387 IonicContact OE1-NH2 2.85Å; E325-R387 IonicContact OE2-CZ 3.4Å; E325-R387 IonicContact OE2-NH1 3.54Å; E325-R387 PolarHBondContact OE2-NH1 3.27Å; E325-R387 IonicContact OE2-NH2 2.84Å; E325-R387 PolarHBondContact OE2-NH2 2.82Å; A328-R387 WeakPolarHBondContact O-CB 3.18Å; A328-R387 PolarHBondContact O-N 3.46Å; R387-D389 WeakPolarHBondContact CD-O 3.5Å; R387-D389 WeakPolarHBondContact CG-O 3.24Å; R387-P390 PolarHBondContact NH1-O 2.94Å; R387-S392 VanDerWaalsContact CD-O 3.29Å; R387-S392 WeakPolarHBondContact CD-O 3.22Å; R387-S392 VanDerWaalsContact CD-OG 3.24Å; R387-S392 WeakPolarHBondContact CD-OG 2.91Å; R387-S392 WeakPolarHBondContact CG-OG 3.29Å; R387-S392 PolarHBondContact NE-O 3.39Å; R387-S392 PolarHBondContact NH1-O 3.27Å; R387-H394 PolarHBondContact NE-O 3.04Å; R387-H394 PolarHBondContact NH2-O 3.27Å; R387-M395 PolarHBondContact NH2-SD 3.09Å; R387-F420 HydrophobicContact CB-CE1 4.19Å
388	R	95.5	Very high	94.7	Very high	115 Å²	115	43.8 Å²	43.8	43%	0.434	22%	0.221	S	C	.	.	S	Bend	trans	-64.8	-51.1	-176.8	-178.4	-178.2	-63.8	-80.6	-0.9	111.5	A386 P390 T418 N419 F420 L421	A386-R388 PolarHBondContact O-N 3.07Å; R388-P390 WeakPolarHBondContact O-CD 3.12Å; R388-T418 PolarHBondContact NE-O 3.22Å; R388-N419 WeakPolarHBondContact CB-O 3.45Å; R388-N419 PolarHBondContact N-O 3Å; R388-F420 PolarHBondContact NH2-O 3.49Å; R388-L421 HydrophobicContact CB-CD2 4.49Å; R388-L421 HydrophobicContact CG-CD2 4.41Å
389	D	96.9	Very high	93.5	Very high	80 Å²	80	44.1 Å²	44.1	43%	0.428	23%	0.227	S	C	.	.	S	Bend	trans	-96.6	104.8	165.7	172.5	13.1	0	0	0	108.7	R387 Y391 S392	R387-D389 WeakPolarHBondContact CD-O 3.5Å; R387-D389 WeakPolarHBondContact CG-O 3.24Å; D389-Y391 PolarHBondContact O-N 3.33Å; D389-Y391 PolarHBondContact OD1-N 2.8Å; D389-S392 PolarHBondContact O-N 2.94Å; D389-S392 VanDerWaalsContact O-N 3.07Å; D389-S392 PolarHBondContact O-OG 3.01Å; D389-S392 PolarHBondContact OD2-N 3.25Å
390	P	96.2	Very high	91.9	Very high	44 Å²	44	47.1 Å²	47.1	29%	0.286	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.8	-178.4	21.5	-31.3	0	0	0	114	L281 L329 R387 R388	L281-P390 HydrophobicContact CD1-CB 4.49Å; L281-P390 HydrophobicContact CD2-CB 3.61Å; L329-P390 HydrophobicContact CD2-CB 4.04Å; R387-P390 PolarHBondContact NH1-O 2.94Å; R388-P390 WeakPolarHBondContact O-CD 3.12Å
391	Y	96.1	Very high	89.7	Confident	115 Å²	115	46 Å²	46	45%	0.451	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-15.4	-179.5	-59.9	-79.9	0	0	0	114.2	R277 H278 L281 D389	R277-Y391 PolarHBondContact NH1-O 2.85Å; H278-Y391 AromaticContact NE2-CE1 3.97Å; L281-Y391 HydrophobicContact CD1-CD1 4.01Å; L281-Y391 HydrophobicContact CD1-CE1 3.51Å; D389-Y391 PolarHBondContact O-N 3.33Å; D389-Y391 PolarHBondContact OD1-N 2.8Å
392	S	96	Very high	87.3	Confident	19 Å²	19	52.9 Å²	52.9	13%	0.133	27%	0.267	C	S	.	.	S	Bend	trans	-66.2	165.3	174.7	68.5	0	0	0	0	112	R277 R387 D389 H394	R277-S392 PolarHBondContact NH2-O 3.38Å; R387-S392 VanDerWaalsContact CD-O 3.29Å; R387-S392 WeakPolarHBondContact CD-O 3.22Å; R387-S392 VanDerWaalsContact CD-OG 3.24Å; R387-S392 WeakPolarHBondContact CD-OG 2.91Å; R387-S392 WeakPolarHBondContact CG-OG 3.29Å; R387-S392 PolarHBondContact NE-O 3.39Å; R387-S392 PolarHBondContact NH1-O 3.27Å; D389-S392 PolarHBondContact O-N 2.94Å; D389-S392 VanDerWaalsContact O-N 3.07Å; D389-S392 PolarHBondContact O-OG 3.01Å; D389-S392 PolarHBondContact OD2-N 3.25Å; S392-H394 PolarHBondContact OG-CD2 3.17Å
393	D	94.4	Very high	84.9	Confident	117 Å²	117	53.4 Å²	53.4	63%	0.626	27%	0.274	S	S	*	.			trans	-98.1	15.1	-179.2	-63.9	-41.4	0	0	0	113.1	R277 M395	R277-D393 IonicContact CZ-OD1 2.83Å; R277-D393 VanDerWaalsContact CZ-OD1 3.24Å; R277-D393 IonicContact NH1-OD1 3.21Å; R277-D393 PolarHBondContact NH1-OD1 2.8Å; R277-D393 IonicContact NH2-OD1 3.64Å; R277-D393 PolarHBondContact NH2-OD1 3.48Å; D393-M395 PolarHBondContact O-N 3.28Å
394	H	95.4	Very high	82.1	Confident	72 Å²	72	61.4 Å²	61.4	33%	0.333	32%	0.317	S	S	.	.			trans	-67.8	124.5	179.8	-63.7	-54.8	0	0	0	111.3	R387 S392 H415 N419 F420	R387-H394 PolarHBondContact NE-O 3.04Å; R387-H394 PolarHBondContact NH2-O 3.27Å; S392-H394 PolarHBondContact OG-CD2 3.17Å; H394-H415 AromaticContact ND1-CE1 3.68Å; H394-N419 HydrophobicContact CB-CB 3.9Å; H394-N419 VanDerWaalsContact CD2-CG 3.45Å; H394-N419 PolarHBondContact CD2-OD1 3.26Å; H394-N419 PolarHBondContact NE2-OD1 3.23Å; H394-F420 HydrophobicContact CB-CE2 4.36Å
395	M	94.6	Very high	79.8	Confident	57 Å²	57	69.2 Å²	69.2	28%	0.281	35%	0.351	S	S	.	.			trans	-104.4	158.1	178	-59.3	-60.8	-91.4	0	0	110.9	E320 A328 R387 D393 P397 H415	E320-M395 HydrophobicContact CB-CE 4.49Å; E320-M395 VanDerWaalsContact O-CE 3.31Å; E320-M395 WeakPolarHBondContact O-CE 3.47Å; A328-M395 HydrophobicContact CB-SD 4.09Å; R387-M395 PolarHBondContact NH2-SD 3.09Å; D393-M395 PolarHBondContact O-N 3.28Å; M395-P397 WeakPolarHBondContact O-CD 3.25Å; M395-H415 PolarHBondContact O-NE2 2.04Å
396	I	92.6	Very high	77.4	Confident	7 Å²	7	76.3 Å²	76.3	4%	0.036	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-69	123.3	169.5	-66.5	176.2	0	0	0	106.9	A327 G370 V371 L398 F420	A327-I396 HydrophobicContact CB-CD1 4.25Å; G370-I396 VanDerWaalsContact C-CG2 3.43Å; V371-I396 HydrophobicContact CB-CD1 4.5Å; V371-I396 HydrophobicContact CG2-CD1 3.75Å; V371-I396 HydrophobicContact CG2-CG2 4.46Å; I396-L398 PolarHBondContact O-N 3.36Å; I396-F420 HydrophobicContact CD1-CE1 4.34Å; I396-F420 HydrophobicContact CG1-CD1 4.32Å; I396-F420 HydrophobicContact CG1-CE1 3.59Å; I396-F420 HydrophobicContact CG1-CZ 3.77Å
397	P	89.6	Confident	75.3	Confident	26 Å²	26	78.4 Å²	78.4	17%	0.169	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-54.8	128.2	178.1	-26	35.6	0	0	0	110.8	M395 S399 D412 L416	M395-P397 WeakPolarHBondContact O-CD 3.25Å; P397-S399 PolarHBondContact O-N 3.09Å; P397-D412 HydrophobicContact CG-CB 4.44Å; P397-L416 HydrophobicContact CG-CD2 4.38Å; P397-L416 HydrophobicContact CG-CG 4.46Å
398	L	84.8	Confident	73.5	Confident	45 Å²	45	82.2 Å²	82.2	24%	0.236	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-69.3	116.2	174.9	-72.7	-171.1	0	0	0	108.4	Y363 T366 L367 I396 D400	Y363-L398 HydrophobicContact CD2-CD1 4.38Å; Y363-L398 HydrophobicContact CE2-CD1 4.04Å; Y363-L398 HydrophobicContact CE2-CD2 4.29Å; T366-L398 HydrophobicContact CG2-CB 3.48Å; T366-L398 VanDerWaalsContact CG2-CB 3.48Å; T366-L398 HydrophobicContact CG2-CD1 4.41Å; T366-L398 HydrophobicContact CG2-CD2 4.06Å; T366-L398 HydrophobicContact CG2-CG 4.16Å; L367-L398 HydrophobicContact CB-CD2 4.07Å; L367-L398 HydrophobicContact CD1-CD2 4.11Å; I396-L398 PolarHBondContact O-N 3.36Å; L398-D400 PolarHBondContact O-N 2.86Å; L398-D400 VanDerWaalsContact O-N 3.16Å
399	S	69.1	Low	71.9	Confident	31 Å²	31	80.2 Å²	80.2	22%	0.217	42%	0.424	C	S	.	.			trans	-82.3	95.1	177.9	-179.5	0	0	0	0	108.9	T366 R369 P397	T366-S399 WeakPolarHBondContact CG2-O 3.42Å; R369-S399 PolarHBondContact NE-O 2.86Å; R369-S399 PolarHBondContact NH2-O 2.96Å; P397-S399 PolarHBondContact O-N 3.09Å
400	D	61.9	Low	70.2	Confident	64 Å²	64	80.8 Å²	80.8	34%	0.342	43%	0.431	S	S	.	.			trans	-89.4	128.7	176	-152	-14.1	0	0	0	110	L398 F402	L398-D400 PolarHBondContact O-N 2.86Å; L398-D400 VanDerWaalsContact O-N 3.16Å; D400-F402 PolarHBondContact OD1-N 2.89Å
401	S	49	Very low	68.9	Low	79 Å²	79	84.9 Å²	84.9	55%	0.552	45%	0.446	S	S	*	.	S	Bend	trans	-93	-11.3	173.7	-61.7	0	0	0	0	112.3	R369	R369-S401 PolarHBondContact NH1-OG 3.25Å
402	F	46.2	Very low	68	Low	178 Å²	178	80.1 Å²	80.1	78%	0.781	43%	0.428	S	S	*	.	S	Bend	trans	-109.5	-3.3	-170.6	-63.7	-75.3	0	0	0	113.9	D400 N404	D400-F402 PolarHBondContact OD1-N 2.89Å; F402-N404 PolarHBondContact O-N 2.04Å
403	S	44.5	Very low	67.3	Low	47 Å²	47	82.4 Å²	82.4	33%	0.329	44%	0.439	S	S	.	.			trans	-81.1	116.7	171.1	-158.1	0	0	0	0	108.8	F405	S403-F405 CarbonylContact O-C 3.36Å; S403-F405 VanDerWaalsContact O-C 3.28Å; S403-F405 PolarHBondContact O-N 3.3Å
404	N	38.3	Very low	66.9	Low	167 Å²	167	80.1 Å²	80.1	89%	0.893	43%	0.432	S	S	*	.	S	Bend	trans	-59.2	-6.7	169.8	-72.9	-28.1	0	0	0	112.9	F402	F402-N404 PolarHBondContact O-N 2.04Å
405	F	45.6	Very low	66.6	Low	176 Å²	176	78.7 Å²	78.7	77%	0.772	43%	0.425	S	S	*	.	S	Bend	trans	-94.7	90.1	159.9	-63.7	-85.8	0	0	0	107.9	S403 P407	S403-F405 CarbonylContact O-C 3.36Å; S403-F405 VanDerWaalsContact O-C 3.28Å; S403-F405 PolarHBondContact O-N 3.3Å; F405-P407 VanDerWaalsContact O-CD 3.24Å; F405-P407 WeakPolarHBondContact O-CD 3.18Å; F405-P407 VanDerWaalsContact O-N 3.07Å
406	L	45.3	Very low	66.5	Low	151 Å²	151	76.1 Å²	76.1	79%	0.791	41%	0.413	S	S	*	.			trans	-52.7	117	164.2	-72.9	164.3	0	0	0	106.8	D408	L406-D408 PolarHBondContact O-N 3.17Å
407	P	52.8	Low	66.4	Low	48 Å²	48	83.7 Å²	83.7	31%	0.312	44%	0.441	S	S	.	.			trans	-56.9	131.4	168.2	5.6	-1.5	0	0	0	106.8	F405 P409	F405-P407 VanDerWaalsContact O-CD 3.24Å; F405-P407 WeakPolarHBondContact O-CD 3.18Å; F405-P407 VanDerWaalsContact O-N 3.07Å; P407-P409 WeakPolarHBondContact O-CD 3.01Å
408	D	58.3	Low	66.6	Low	89 Å²	89	86.4 Å²	86.4	48%	0.476	46%	0.457	S	S	.	.			trans	-54.9	110.9	179.6	-179.7	-10.7	0	0	0	108.3	L406 T410 H411 D412	L406-D408 PolarHBondContact O-N 3.17Å; D408-T410 PolarHBondContact O-N 3.1Å; D408-T410 WeakPolarHBondContact OD1-CB 3.19Å; D408-T410 WeakPolarHBondContact OD1-CG2 3.3Å; D408-T410 PolarHBondContact OD1-N 2.87Å; D408-T410 PolarHBondContact OD1-OG1 3.21Å; D408-T410 PolarHBondContact OD2-OG1 2.85Å; D408-T410 VanDerWaalsContact OD2-OG1 3.07Å; D408-H411 HydrophobicContact CB-CB 4.09Å; D408-H411 PolarHBondContact O-N 2.96Å; D408-D412 PolarHBondContact O-N 2.72Å
409	P	62.8	Low	67.1	Low	72 Å²	72	85.6 Å²	85.6	47%	0.468	45%	0.453	S	S	.	.	H	α-helix	trans	-58.1	-26.5	-174.6	-23.3	33.4	0	0	0	111.9	R373 P407 L413	R373-P409 PolarHBondContact NH2-O 3.07Å; P407-P409 WeakPolarHBondContact O-CD 3.01Å; P409-L413 WeakPolarHBondContact O-CB 3.45Å; P409-L413 WeakPolarHBondContact O-CD1 3.02Å; P409-L413 VanDerWaalsContact O-CG 3.29Å; P409-L413 WeakPolarHBondContact O-CG 3.42Å; P409-L413 PolarHBondContact O-N 2.82Å; P409-L413 VanDerWaalsContact O-N 3.15Å
410	T	61.6	Low	68.4	Low	93 Å²	93	84.1 Å²	84.1	57%	0.571	44%	0.443	S	S	*	.	H	α-helix	trans	-73.9	-37.4	179.6	73	0	0	0	0	112.3	D408 L413 S414	D408-T410 PolarHBondContact O-N 3.1Å; D408-T410 WeakPolarHBondContact OD1-CB 3.19Å; D408-T410 WeakPolarHBondContact OD1-CG2 3.3Å; D408-T410 PolarHBondContact OD1-N 2.87Å; D408-T410 PolarHBondContact OD1-OG1 3.21Å; D408-T410 PolarHBondContact OD2-OG1 2.85Å; D408-T410 VanDerWaalsContact OD2-OG1 3.07Å; T410-L413 PolarHBondContact O-N 3.26Å; T410-S414 WeakPolarHBondContact O-CB 3.36Å; T410-S414 PolarHBondContact O-N 3.2Å
411	H	68.1	Low	70	Confident	129 Å²	129	83.9 Å²	83.9	60%	0.597	44%	0.441	S	S	*	.	H	α-helix	trans	-68.2	-43.3	176.3	-175.5	-88.3	0	0	0	111	D408 L413 S414 H415	D408-H411 HydrophobicContact CB-CB 4.09Å; D408-H411 PolarHBondContact O-N 2.96Å; H411-L413 PolarHBondContact O-N 3.41Å; H411-S414 PolarHBondContact O-N 3.48Å; H411-H415 WeakPolarHBondContact O-CB 3.32Å; H411-H415 PolarHBondContact O-N 3.34Å
412	D	78.2	Confident	72.3	Confident	16 Å²	16	81.1 Å²	81.1	9%	0.086	42%	0.421	C	S	.	.	H	α-helix	trans	-60.1	-44.8	175.1	-75.3	-12	0	0	0	111.9	R373 P397 D408 S414 H415 L416	R373-D412 IonicContact NH1-OD2 2.64Å; R373-D412 PolarHBondContact NH1-OD2 2.92Å; P397-D412 HydrophobicContact CG-CB 4.44Å; D408-D412 PolarHBondContact O-N 2.72Å; D412-S414 PolarHBondContact O-N 3.48Å; D412-H415 PolarHBondContact O-N 2.87Å; D412-L416 WeakPolarHBondContact O-CB 3.29Å; D412-L416 VanDerWaalsContact O-CG 3.29Å; D412-L416 WeakPolarHBondContact O-CG 3.12Å; D412-L416 PolarHBondContact O-N 3.24Å
413	L	79.7	Confident	74.6	Confident	67 Å²	67	74.9 Å²	74.9	35%	0.351	40%	0.395	S	S	.	.	H	α-helix	trans	-62	-42	177.1	-83.7	167.2	0	0	0	112.3	E377 P409 T410 H411 R417	E377-L413 HydrophobicContact CB-CD2 4.1Å; E377-L413 HydrophobicContact CG-CD2 4.33Å; E377-L413 WeakPolarHBondContact OE2-CD2 3.19Å; P409-L413 WeakPolarHBondContact O-CB 3.45Å; P409-L413 WeakPolarHBondContact O-CD1 3.02Å; P409-L413 VanDerWaalsContact O-CG 3.29Å; P409-L413 WeakPolarHBondContact O-CG 3.42Å; P409-L413 PolarHBondContact O-N 2.82Å; P409-L413 VanDerWaalsContact O-N 3.15Å; T410-L413 PolarHBondContact O-N 3.26Å; H411-L413 PolarHBondContact O-N 3.41Å; L413-R417 VanDerWaalsContact O-CB 3.23Å; L413-R417 WeakPolarHBondContact O-CB 3.41Å; L413-R417 PolarHBondContact O-N 2.97Å
414	S	86.4	Confident	77	Confident	69 Å²	69	73.4 Å²	73.4	48%	0.483	38%	0.384	S	S	.	.	H	α-helix	trans	-64.9	-43.6	176.3	-174.3	0	0	0	0	111.8	T410 H411 D412 R417 T418	T410-S414 WeakPolarHBondContact O-CB 3.36Å; T410-S414 PolarHBondContact O-N 3.2Å; H411-S414 PolarHBondContact O-N 3.48Å; D412-S414 PolarHBondContact O-N 3.48Å; S414-R417 PolarHBondContact O-N 3.01Å; S414-T418 PolarHBondContact O-N 3.33Å; S414-T418 PolarHBondContact O-OG1 3.43Å
415	H	89.7	Confident	79.7	Confident	41 Å²	41	66.4 Å²	66.4	19%	0.19	35%	0.345	C	S	.	.	H	α-helix	trans	-60.7	-49.8	175.3	174.6	77.4	0	0	0	111.6	H394 M395 H411 D412 R417 T418 N419 F420	H394-H415 AromaticContact ND1-CE1 3.68Å; M395-H415 PolarHBondContact O-NE2 2.04Å; H411-H415 WeakPolarHBondContact O-CB 3.32Å; H411-H415 PolarHBondContact O-N 3.34Å; D412-H415 PolarHBondContact O-N 2.87Å; H415-R417 PolarHBondContact O-N 2.65Å; H415-T418 PolarHBondContact O-N 3.36Å; H415-N419 PolarHBondContact CE1-ND2 2.95Å; H415-N419 PolarHBondContact ND1-ND2 3.44Å; H415-N419 WeakPolarHBondContact O-CB 2.99Å; H415-N419 PolarHBondContact O-N 2.89Å; H415-N419 PolarHBondContact O-ND2 3.47Å; H415-F420 AromaticContact NE2-CE2 3.84Å
416	L	91.4	Very high	81.8	Confident	4 Å²	4	62.9 Å²	62.9	2%	0.021	33%	0.332	C	S	.	.	H	α-helix	trans	-60.4	-34.9	175.3	-71	-179.6	0	0	0	111.8	C374 R378 P397 D412 F420	C374-L416 HydrophobicContact CB-CD1 4.04Å; C374-L416 HydrophobicContact CB-CD2 4.25Å; R378-L416 HydrophobicContact CG-CB 4.16Å; R378-L416 PolarHBondContact NE-O 3.49Å; P397-L416 HydrophobicContact CG-CD2 4.38Å; P397-L416 HydrophobicContact CG-CG 4.46Å; D412-L416 WeakPolarHBondContact O-CB 3.29Å; D412-L416 VanDerWaalsContact O-CG 3.29Å; D412-L416 WeakPolarHBondContact O-CG 3.12Å; D412-L416 PolarHBondContact O-N 3.24Å; L416-F420 HydrophobicContact CD2-CD2 3.79Å; L416-F420 HydrophobicContact CD2-CE2 4.1Å; L416-F420 HydrophobicContact CD2-CG 4.29Å; L416-F420 WeakPolarHBondContact O-CB 3.23Å; L416-F420 PolarHBondContact O-N 3.46Å
417	R	90.9	Very high	84	Confident	166 Å²	166	57.1 Å²	57.1	63%	0.626	31%	0.308	S	S	*	.	H	α-helix	trans	-68.6	-42.2	178.6	-178.9	173	-176.7	177.8	-1	113.6	R378 L413 S414 H415	R378-R417 PolarHBondContact NH2-O 2.74Å; L413-R417 VanDerWaalsContact O-CB 3.23Å; L413-R417 WeakPolarHBondContact O-CB 3.41Å; L413-R417 PolarHBondContact O-N 2.97Å; S414-R417 PolarHBondContact O-N 3.01Å; H415-R417 PolarHBondContact O-N 2.65Å
418	T	93.2	Very high	86	Confident	83 Å²	83	58.6 Å²	58.6	51%	0.509	31%	0.308	S	S	.	.	H	α-helix	trans	-77.8	-45.2	-176.5	-55	0	0	0	0	110.8	R388 S414 H415	R388-T418 PolarHBondContact NE-O 3.22Å; S414-T418 PolarHBondContact O-N 3.33Å; S414-T418 PolarHBondContact O-OG1 3.43Å; H415-T418 PolarHBondContact O-N 3.36Å
419	N	95.9	Very high	87.6	Confident	28 Å²	28	55.8 Å²	55.8	15%	0.15	30%	0.297	C	S	.	.	H	α-helix	trans	-101.6	-8.6	-163.3	-60	-42.4	0	0	0	114.7	R388 H394 H415	R388-N419 WeakPolarHBondContact CB-O 3.45Å; R388-N419 PolarHBondContact N-O 3Å; H394-N419 HydrophobicContact CB-CB 3.9Å; H394-N419 VanDerWaalsContact CD2-CG 3.45Å; H394-N419 PolarHBondContact CD2-OD1 3.26Å; H394-N419 PolarHBondContact NE2-OD1 3.23Å; H415-N419 PolarHBondContact CE1-ND2 2.95Å; H415-N419 PolarHBondContact ND1-ND2 3.44Å; H415-N419 WeakPolarHBondContact O-CB 2.99Å; H415-N419 PolarHBondContact O-N 2.89Å; H415-N419 PolarHBondContact O-ND2 3.47Å
420	F	96.1	Very high	89.1	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	148.7	179.9	-66.3	-98	0	0	0	112.1	A328 C385 A386 R387 R388 H394 I396 H415 L416	A328-F420 HydrophobicContact CB-CE1 4.32Å; C385-F420 HydrophobicContact CB-CB 4.49Å; C385-F420 HydrophobicContact CB-CD1 4.29Å; A386-F420 WeakPolarHBondContact O-CA 3.38Å; R387-F420 HydrophobicContact CB-CE1 4.19Å; R388-F420 PolarHBondContact NH2-O 3.49Å; H394-F420 HydrophobicContact CB-CE2 4.36Å; I396-F420 HydrophobicContact CD1-CE1 4.34Å; I396-F420 HydrophobicContact CG1-CD1 4.32Å; I396-F420 HydrophobicContact CG1-CE1 3.59Å; I396-F420 HydrophobicContact CG1-CZ 3.77Å; H415-F420 AromaticContact NE2-CE2 3.84Å; L416-F420 HydrophobicContact CD2-CD2 3.79Å; L416-F420 HydrophobicContact CD2-CE2 4.1Å; L416-F420 HydrophobicContact CD2-CG 4.29Å; L416-F420 WeakPolarHBondContact O-CB 3.23Å; L416-F420 PolarHBondContact O-N 3.46Å
421	L	96.1	Very high	90.6	Very high	59 Å²	59	55.9 Å²	55.9	31%	0.309	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	165.8	172.3	61.5	76.2	0	0	0	110.2	C385 A386 R388 Q423	C385-L421 WeakPolarHBondContact CA-O 3.35Å; A386-L421 HydrophobicContact CB-CD1 4.17Å; A386-L421 PolarHBondContact N-O 3.45Å; A386-L421 PolarHBondContact O-N 3.15Å; R388-L421 HydrophobicContact CB-CD2 4.49Å; R388-L421 HydrophobicContact CG-CD2 4.41Å; L421-Q423 HydrophobicContact CD1-CG 3.94Å
422	C	96.4	Very high	91.8	Very high	20 Å²	20	53.7 Å²	53.7	14%	0.135	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	132.1	175.4	-64.8	0	0	0	0	111.5	R378 C379 E431 C433	R378-C422 PolarHBondContact O-SG 2.9Å; C379-C422 WeakPolarHBondContact CA-SG 3.37Å; C379-C422 HydrophobicContact CB-CB 3.79Å; C379-C422 WeakPolarHBondContact CB-SG 3.24Å; C379-C422 VanDerWaalsContact SG-CA 3.52Å; C379-C422 WeakPolarHBondContact SG-CB 3.31Å; C379-C422 CovalentContact SG-SG 2.04Å; C379-C422 PolarHBondContact SG-SG 3.28Å; C422-E431 WeakPolarHBondContact CB-O 2.98Å; C422-C433 VanDerWaalsContact CB-SG 3.54Å
423	Q	95.2	Very high	92.7	Very high	47 Å²	47	53 Å²	53	22%	0.22	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	103.4	163.6	-62.1	176	-20.7	0	0	107.6	A35 G383 R384 A386 L421	A35-Q423 HydrophobicContact CB-CB 4.07Å; G383-Q423 CarbonylContact C-O 3.33Å; G383-Q423 VanDerWaalsContact CA-O 3.24Å; G383-Q423 WeakPolarHBondContact CA-O 3.41Å; R384-Q423 HydrophobicContact CG-CB 3.75Å; R384-Q423 PolarHBondContact N-O 3.06Å; R384-Q423 PolarHBondContact O-N 2.78Å; A386-Q423 VanDerWaalsContact CB-CD 3.48Å; A386-Q423 HydrophobicContact CB-CG 3.89Å; L421-Q423 HydrophobicContact CD1-CG 3.94Å
424	C	95.8	Very high	93.4	Very high	17 Å²	17	53.6 Å²	53.6	12%	0.115	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	140.6	-172.4	-55.9	0	0	0	0	112.2	A35 W428 G430 C433	A35-C424 PolarHBondContact N-O 3.01Å; C424-W428 HydrophobicContact CB-CB 4.11Å; C424-W428 WeakPolarHBondContact CB-O 3.43Å; C424-G430 PolarHBondContact SG-O 2.97Å; C424-G430 VanDerWaalsContact SG-O 3.36Å; C424-C433 WeakPolarHBondContact CA-SG 3.08Å; C424-C433 HydrophobicContact CB-CB 3.74Å; C424-C433 WeakPolarHBondContact CB-SG 3.29Å; C424-C433 WeakPolarHBondContact SG-CA 3.34Å; C424-C433 WeakPolarHBondContact SG-CB 3.35Å; C424-C433 CovalentContact SG-SG 2.04Å; C424-C433 PolarHBondContact SG-SG 3.13Å
425	Y	95	Very high	93.8	Very high	19 Å²	19	55.3 Å²	55.3	8%	0.075	28%	0.279	C	S	.	.	B	Isolated β-bridge	trans	-67.3	158.8	172.8	-59.7	-42.4	0	0	0	110.9	A35 A36 P38 P44 N382 R384 G427 W428	A35-Y425 HydrophobicContact CB-CD1 4.35Å; A35-Y425 WeakPolarHBondContact O-CA 3.41Å; A36-Y425 WeakPolarHBondContact O-CD1 3.43Å; P38-Y425 HydrophobicContact CG-CE2 4.49Å; P44-Y425 VanDerWaalsContact CA-OH 3.32Å; P44-Y425 WeakPolarHBondContact CA-OH 3.49Å; P44-Y425 WeakPolarHBondContact CB-OH 3.24Å; N382-Y425 VanDerWaalsContact O-CD2 3.29Å; N382-Y425 WeakPolarHBondContact O-CD2 3.41Å; N382-Y425 PolarHBondContact O-N 2.96Å; R384-Y425 HydrophobicContact CB-CE1 4.25Å; Y425-G427 PolarHBondContact O-N 2.94Å; Y425-W428 PolarHBondContact O-N 2.99Å
426	Q	90	Very high	93.9	Very high	103 Å²	103	63.2 Å²	63.2	48%	0.481	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-47.9	129.2	172.5	-171.3	-173.3	5.2	0	0	111.3	A35 T294 H295	A35-Q426 PolarHBondContact O-N 3.32Å; T294-Q426 PolarHBondContact OG1-NE2 3.2Å; H295-Q426 HydrophobicContact CB-CB 4.4Å; H295-Q426 PolarHBondContact CD2-OE1 3.35Å; H295-Q426 VanDerWaalsContact CD2-OE1 3.24Å
427	G	90.8	Very high	93.7	Very high	29 Å²	29	67.5 Å²	67.5	30%	0.299	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.1	-2.1	-177.4	0	0	0	0	0	114.8	Y425 I437	Y425-G427 PolarHBondContact O-N 2.94Å; G427-I437 PolarHBondContact O-N 3.33Å
428	W	93.9	Very high	92.9	Very high	79 Å²	79	63.7 Å²	63.7	30%	0.299	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	147.8	178	-63.3	95.6	0	0	0	112.4	N382 C424 Y425 C433 E435 R436	N382-W428 HydrophobicContact CB-CB 4.19Å; N382-W428 HydrophobicContact CB-CD2 3.51Å; N382-W428 HydrophobicContact CB-CE3 3.95Å; N382-W428 HydrophobicContact CB-CG 3.62Å; N382-W428 HydrophobicContact CB-CZ2 4.35Å; N382-W428 VanDerWaalsContact CG-CD2 3.47Å; N382-W428 VanDerWaalsContact CG-CZ2 3.41Å; N382-W428 WeakPolarHBondContact ND2-CH2 3.41Å; N382-W428 WeakPolarHBondContact ND2-CZ2 3.29Å; N382-W428 WeakPolarHBondContact ND2-CZ3 3.23Å; N382-W428 VanDerWaalsContact OD1-CE2 3.25Å; N382-W428 WeakPolarHBondContact OD1-CZ2 3.41Å; C424-W428 HydrophobicContact CB-CB 4.11Å; C424-W428 WeakPolarHBondContact CB-O 3.43Å; Y425-W428 PolarHBondContact O-N 2.99Å; W428-C433 HydrophobicContact CB-CB 4.25Å; W428-E435 CarbonylContact C-O 3.6Å; W428-E435 VanDerWaalsContact CA-O 3.31Å; W428-E435 WeakPolarHBondContact CA-O 3.39Å; W428-R436 HydrophobicContact CE3-CB 4.37Å; W428-R436 HydrophobicContact CZ3-CB 4.19Å
429	A	93.3	Very high	91.3	Very high	30 Å²	30	64.5 Å²	64.5	25%	0.248	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	176.6	-179	0	0	0	0	0	111.7	C433 Q434 E435 I437	A429-C433 CarbonylContact O-C 3.06Å; A429-C433 WeakPolarHBondContact O-CA 3.47Å; A429-Q434 PolarHBondContact O-N 3.07Å; A429-E435 HydrophobicContact CB-CB 4.4Å; A429-E435 PolarHBondContact N-O 3.15Å; A429-E435 PolarHBondContact O-N 3.23Å; A429-I437 HydrophobicContact CB-CD1 4Å; A429-I437 HydrophobicContact CB-CG1 3.77Å
430	G	92.9	Very high	88.9	Confident	31 Å²	31	70.3 Å²	70.3	32%	0.32	37%	0.372	S	S	.	.	S	Bend	trans	92	161.3	-175.7	0	0	0	0	0	112.5	C424 K432 C433	C424-G430 PolarHBondContact SG-O 2.97Å; C424-G430 VanDerWaalsContact SG-O 3.36Å; G430-K432 PolarHBondContact O-N 3.06Å; G430-K432 VanDerWaalsContact O-N 3.09Å; G430-C433 PolarHBondContact O-N 3.23Å; G430-C433 VanDerWaalsContact O-N 3.09Å
431	E	92.7	Very high	86.2	Confident	137 Å²	137	75.5 Å²	75.5	64%	0.64	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-28.6	-177.3	-166.9	-170.1	171	0	0	113.1	C422	C422-E431 WeakPolarHBondContact CB-O 2.98Å
432	K	95.1	Very high	83.3	Confident	83 Å²	83	80 Å²	80	36%	0.361	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.7	14.7	180	-56.8	-176.2	-175.1	174.9	0	112.9	R378 C379 H380 G430 Q434	R378-K432 VanDerWaalsContact O-CB 3.23Å; R378-K432 WeakPolarHBondContact O-CB 3.33Å; R378-K432 WeakPolarHBondContact O-CG 3.43Å; C379-K432 CarbonylContact C-O 3.42Å; C379-K432 WeakPolarHBondContact CA-O 3.49Å; H380-K432 PolarHBondContact CD2-O 2.97Å; H380-K432 VanDerWaalsContact CD2-O 3.28Å; G430-K432 PolarHBondContact O-N 3.06Å; G430-K432 VanDerWaalsContact O-N 3.09Å; K432-Q434 VanDerWaalsContact C-OE1 3.28Å; K432-Q434 PolarHBondContact O-N 3.19Å
433	C	96.1	Very high	80.3	Confident	0 Å²	0	88.5 Å²	88.5	0%	0	48%	0.479	C	S	.	.	S	Bend	trans	59	32.4	-178.6	-44.3	0	0	0	0	113.9	N382 C422 C424 W428 A429 G430	N382-C433 HydrophobicContact CB-CB 3.85Å; N382-C433 WeakPolarHBondContact CB-O 3.07Å; N382-C433 PolarHBondContact ND2-O 3.3Å; C422-C433 VanDerWaalsContact CB-SG 3.54Å; C424-C433 WeakPolarHBondContact CA-SG 3.08Å; C424-C433 HydrophobicContact CB-CB 3.74Å; C424-C433 WeakPolarHBondContact CB-SG 3.29Å; C424-C433 WeakPolarHBondContact SG-CA 3.34Å; C424-C433 WeakPolarHBondContact SG-CB 3.35Å; C424-C433 CovalentContact SG-SG 2.04Å; C424-C433 PolarHBondContact SG-SG 3.13Å; W428-C433 HydrophobicContact CB-CB 4.25Å; A429-C433 CarbonylContact O-C 3.06Å; A429-C433 WeakPolarHBondContact O-CA 3.47Å; G430-C433 PolarHBondContact O-N 3.23Å; G430-C433 VanDerWaalsContact O-N 3.09Å
434	Q	95.2	Very high	79.6	Confident	80 Å²	80	90.6 Å²	90.6	37%	0.374	49%	0.492	S	S	.	.			trans	-86.1	-15.3	-177.3	73.7	-74.7	-6	0	0	113.5	A429 K432	A429-Q434 PolarHBondContact O-N 3.07Å; K432-Q434 VanDerWaalsContact C-OE1 3.28Å; K432-Q434 PolarHBondContact O-N 3.19Å
435	E	94.3	Very high	78.7	Confident	106 Å²	106	94.4 Å²	94.4	50%	0.495	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.9	-176.1	-68.7	159.9	-145.1	0	0	110.5	W428 A429	W428-E435 CarbonylContact C-O 3.6Å; W428-E435 VanDerWaalsContact CA-O 3.31Å; W428-E435 WeakPolarHBondContact CA-O 3.39Å; A429-E435 HydrophobicContact CB-CB 4.4Å; A429-E435 PolarHBondContact N-O 3.15Å; A429-E435 PolarHBondContact O-N 3.23Å
436	R	92.2	Very high	77.8	Confident	207 Å²	207	98.6 Å²	98.6	78%	0.781	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.8	124	173.1	-168.8	174.8	-177.3	179.5	0.2	109.3	W428 A438	W428-R436 HydrophobicContact CE3-CB 4.37Å; W428-R436 HydrophobicContact CZ3-CB 4.19Å; R436-A438 PolarHBondContact O-N 3.34Å
437	I	87.4	Confident	77.1	Confident	94 Å²	94	98.4 Å²	98.4	48%	0.482	54%	0.54	S	S	.	.			trans	-73.7	113.8	174.2	-54.1	174.7	0	0	0	107.2	G427 A429 S439	G427-I437 PolarHBondContact O-N 3.33Å; A429-I437 HydrophobicContact CB-CD1 4Å; A429-I437 HydrophobicContact CB-CG1 3.77Å; I437-S439 PolarHBondContact O-N 3.17Å
438	A	74.2	Confident	76.2	Confident	86 Å²	86	102.7 Å²	102.7	71%	0.711	56%	0.555	S	S	*	*			trans	-60.9	123.7	172.9	0	0	0	0	0	109.1	R436 I440	R436-A438 PolarHBondContact O-N 3.34Å; A438-I440 PolarHBondContact O-N 3.43Å; A438-I440 VanDerWaalsContact O-N 3.17Å
439	S	58	Low	75.1	Confident	99 Å²	99	104.3 Å²	104.3	69%	0.692	57%	0.572	S	S	*	*			trans	-62	116.2	168.4	40	0	0	0	0	108	I437 T441	I437-S439 PolarHBondContact O-N 3.17Å; S439-T441 PolarHBondContact O-N 3.27Å
440	I	47.3	Very low	73.8	Confident	151 Å²	151	109.6 Å²	109.6	77%	0.774	60%	0.595	S	S	*	*			trans	-63.9	95.9	163.2	-58.1	173.1	0	0	0	105.3	A438 N442	A438-I440 PolarHBondContact O-N 3.43Å; A438-I440 VanDerWaalsContact O-N 3.17Å; I440-N442 VanDerWaalsContact C-N 3.32Å; I440-N442 PolarHBondContact O-N 3.35Å
441	T	38.3	Very low	72.3	Confident	109 Å²	109	115.6 Å²	115.6	67%	0.669	62%	0.616	S	S	*	*			trans	-67.3	98	162.4	43	0	0	0	0	105.9	S439 T443	S439-T441 PolarHBondContact O-N 3.27Å; T441-T443 PolarHBondContact O-N 3.34Å
442	N	34.7	Very low	70.6	Confident	152 Å²	152	113.8 Å²	113.8	81%	0.813	61%	0.614	S	S	*	*			trans	-65.2	97.2	158.5	-81.5	-7.9	0	0	0	106	I440	I440-N442 VanDerWaalsContact C-N 3.32Å; I440-N442 PolarHBondContact O-N 3.35Å
443	T	34.5	Very low	68.4	Low	199 Å²	199	116.6 Å²	116.6	100%	1.221	64%	0.637	S	S	*	*			trans	-60.8	0	163.7	45.8	0	0	0	0	110.8	T441	T441-T443 PolarHBondContact O-N 3.34Å

Retrieved 443 of 443 residues in 1612.1 ms (Link to these results)

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