A0A060XHL3_ONCMY Loading...

Phosphoethanolamine/phosphocholine phosphatase 1

AlphaFold DB , UniProt , Accession A0A060XHL3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110538152, Length 279 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	34.8	Very low	35.8	Very low	237 Å²	237	139.2 Å²	139.2	100%	1.167	83%	0.829	S	S	*	*				0	117.8	0	-92.1	157.5	169.8	0	0	108
2	N	31.6	Very low	35.9	Very low	153 Å²	153	138.2 Å²	138.2	82%	0.818	82%	0.824	S	S	*	*			trans	27.5	142.3	141.6	-66.9	10.2	0	0	0	118.8
3	C	32.1	Very low	36.3	Very low	86 Å²	86	136.3 Å²	136.3	58%	0.581	82%	0.815	S	S	*	*			cis	176.7	158.8	4.8	-109.9	0	0	0	0	109.4
4	F	34.3	Very low	36.6	Very low	205 Å²	205	134.4 Å²	134.4	90%	0.899	81%	0.807	S	S	*	*			trans	66.4	121.8	146.3	-72	-66.2	0	0	0	123.2
5	G	32.2	Very low	36.4	Very low	76 Å²	76	134.1 Å²	134.1	78%	0.784	81%	0.81	S	S	*	*			trans	-170.9	110.6	156.2	0	0	0	0	0	111.5
6	S	34.4	Very low	36.3	Very low	116 Å²	116	139.4 Å²	139.4	81%	0.811	81%	0.811	S	S	*	*			trans	-58.2	178.9	179.3	-47.8	0	0	0	0	114.6
7	P	48.2	Very low	36.3	Very low	118 Å²	118	138.3 Å²	138.3	77%	0.766	81%	0.813	S	S	*	*			cis	-141.2	-173.4	19.7	44	-21.3	0	0	0	115.3
8	P	41.3	Very low	36.2	Very low	125 Å²	125	142.1 Å²	142.1	81%	0.812	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-87.1	140.6	-159.8	33.9	-29.7	0	0	0	113.8
9	G	35.4	Very low	36.4	Very low	78 Å²	78	148.1 Å²	148.1	80%	0.804	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-78	139.1	175.7	0	0	0	0	0	112.6
10	E	36.6	Very low	36.3	Very low	183 Å²	183	145.6 Å²	145.6	86%	0.855	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-62.1	135.3	174.4	-65.6	176.3	145.3	0	0	111.6	V12	E10-V12 PolarHBondContact O-N 2.93Å; E10-V12 VanDerWaalsContact O-N 3.08Å
11	D	33.3	Very low	36.4	Very low	154 Å²	154	143.1 Å²	143.1	82%	0.824	81%	0.81	S	S	*	*			trans	-77.9	87.5	-178.5	-156.2	3.7	0	0	0	109.9	T13	D11-T13 PolarHBondContact O-N 3.39Å
12	V	36.8	Very low	36.3	Very low	127 Å²	127	139.3 Å²	139.3	77%	0.77	80%	0.795	S	S	*	*			trans	-84	96.1	174.6	-177.7	0	0	0	0	108.9	E10	E10-V12 PolarHBondContact O-N 2.93Å; E10-V12 VanDerWaalsContact O-N 3.08Å
13	T	41.1	Very low	36.7	Very low	114 Å²	114	138.8 Å²	138.8	70%	0.699	79%	0.792	S	S	*	*			trans	-68	134.8	170.6	38.2	0	0	0	0	111.1	D11	D11-T13 PolarHBondContact O-N 3.39Å
14	P	39.9	Very low	36.8	Very low	109 Å²	109	144 Å²	144	71%	0.708	81%	0.81	S	S	*	*			trans	-77.8	149.1	-179.8	30	-33	0	0	0	111.5	R16	P14-R16 PolarHBondContact O-N 3.03Å; P14-R16 VanDerWaalsContact O-N 3.14Å
15	P	34.1	Very low	37	Very low	131 Å²	131	138 Å²	138	85%	0.851	80%	0.798	S	S	*	*			trans	-72.3	114.2	-179.1	28.6	-31.2	0	0	0	110.2	S17	P15-S17 PolarHBondContact O-N 3.11Å
16	R	34.5	Very low	37.2	Very low	219 Å²	219	138.6 Å²	138.6	83%	0.826	80%	0.796	S	S	*	*			trans	-66.8	111.2	166.8	-82.4	178.1	166	-179.3	-4.4	109.4	P14 R18	P14-R16 PolarHBondContact O-N 3.03Å; P14-R16 VanDerWaalsContact O-N 3.14Å; R16-R18 PolarHBondContact O-N 3.04Å
17	S	37.4	Very low	37.4	Very low	120 Å²	120	141.1 Å²	141.1	84%	0.839	80%	0.8	S	S	*	*			trans	-66.7	94.2	167.6	68.4	0	0	0	0	110.2	P15 R19	P15-S17 PolarHBondContact O-N 3.11Å; S17-R19 PolarHBondContact O-N 3.23Å
18	R	34	Very low	37.1	Very low	207 Å²	207	140.4 Å²	140.4	78%	0.781	80%	0.798	S	S	*	*			trans	-90.7	88.1	164.3	-77.4	-177.1	173.4	179.6	-1.6	109	R16 S20	R16-R18 PolarHBondContact O-N 3.04Å; R18-S20 PolarHBondContact O-N 3.03Å; R18-S20 VanDerWaalsContact O-N 3.09Å
19	R	40.2	Very low	37.6	Very low	256 Å²	256	138.8 Å²	138.8	97%	0.966	80%	0.795	S	S	*	*			trans	-73.5	85.4	149.3	-84.7	-175.9	174.8	-168.2	-1	106.6	S17	S17-R19 PolarHBondContact O-N 3.23Å
20	S	34.9	Very low	38.7	Very low	97 Å²	97	139.7 Å²	139.7	68%	0.678	79%	0.785	S	S	*	*			trans	-88.8	131.6	169.6	-166.1	0	0	0	0	108.5	R18 N22	R18-S20 PolarHBondContact O-N 3.03Å; R18-S20 VanDerWaalsContact O-N 3.09Å; S20-N22 PolarHBondContact O-N 3.03Å
21	A	37.8	Very low	40	Very low	94 Å²	94	132 Å²	132	78%	0.777	75%	0.752	S	S	*	*			trans	-46.7	116.7	177.2	0	0	0	0	0	111.8	N23	A21-N23 PolarHBondContact O-N 3.31Å
22	N	32.7	Very low	41.7	Very low	158 Å²	158	127.8 Å²	127.8	85%	0.845	73%	0.732	S	S	*	*			trans	-81.1	103.7	168.9	-93.7	-10.8	0	0	0	109.3	S20	S20-N22 PolarHBondContact O-N 3.03Å
23	N	39.3	Very low	43.5	Very low	141 Å²	141	125 Å²	125	75%	0.754	72%	0.718	S	S	*	*			trans	18.2	106.8	133.7	-87	-19.3	0	0	0	116.9	A21	A21-N23 PolarHBondContact O-N 3.31Å
24	M	34.7	Very low	45.3	Very low	197 Å²	197	122.5 Å²	122.5	97%	0.97	70%	0.701	S	S	*	*			trans	-114.6	55.9	141.7	-72.8	-140.8	-129.7	0	0	109.8	A26	M24-A26 VanDerWaalsContact C-N 3.33Å; M24-A26 PolarHBondContact O-N 3.49Å
25	A	37.7	Very low	47.6	Very low	77 Å²	77	119.2 Å²	119.2	64%	0.636	67%	0.674	S	S	*	*			trans	-79.5	94.7	148.6	0	0	0	0	0	105.5	N27	A25-N27 PolarHBondContact O-N 2.74Å; A25-N27 VanDerWaalsContact O-N 3.12Å
26	A	37.5	Very low	50.4	Low	90 Å²	90	115.4 Å²	115.4	74%	0.744	64%	0.643	S	S	*	*			trans	-52.1	122.2	167.2	0	0	0	0	0	107.5	M24 S28	M24-A26 VanDerWaalsContact C-N 3.33Å; M24-A26 PolarHBondContact O-N 3.49Å; A26-S28 PolarHBondContact O-N 3.27Å
27	N	38.6	Very low	53.4	Low	168 Å²	168	105.3 Å²	105.3	90%	0.898	61%	0.605	S	S	*	*			trans	-44	99.4	175.4	-87	-19.2	0	0	0	110	A25 A29	A25-N27 PolarHBondContact O-N 2.74Å; A25-N27 VanDerWaalsContact O-N 3.12Å; N27-A29 VanDerWaalsContact C-N 3.32Å; N27-A29 PolarHBondContact O-N 3.4Å; N27-A29 VanDerWaalsContact O-N 3.12Å
28	S	41.9	Very low	56.2	Low	104 Å²	104	99.6 Å²	99.6	73%	0.727	57%	0.565	S	S	*	*			trans	-85.8	83.2	173.2	70.7	0	0	0	0	107.3	A26 T30	A26-S28 PolarHBondContact O-N 3.27Å; S28-T30 PolarHBondContact O-N 2.69Å; S28-T30 VanDerWaalsContact O-N 3.12Å
29	A	51	Low	59.3	Low	90 Å²	90	89.8 Å²	89.8	74%	0.744	53%	0.528	S	S	*	.	P	Polyproline II helix	trans	-55	120	155.8	0	0	0	0	0	106.6	N27 P31	N27-A29 VanDerWaalsContact C-N 3.32Å; N27-A29 PolarHBondContact O-N 3.4Å; N27-A29 VanDerWaalsContact O-N 3.12Å; A29-P31 WeakPolarHBondContact O-CD 3.48Å
30	T	58.4	Low	62.1	Low	97 Å²	97	77.6 Å²	77.6	60%	0.595	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-57.5	124.5	179	-41.7	0	0	0	0	107.8	S28	S28-T30 PolarHBondContact O-N 2.69Å; S28-T30 VanDerWaalsContact O-N 3.12Å
31	P	63.6	Low	65.2	Low	23 Å²	23	73 Å²	73	15%	0.149	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-59.1	139.6	-179.7	16.6	-25.2	0	0	0	109.9	A29 S33 V154 R199	A29-P31 WeakPolarHBondContact O-CD 3.48Å; P31-S33 PolarHBondContact O-N 3.26Å; P31-V154 HydrophobicContact CB-CB 4.13Å; P31-V154 HydrophobicContact CB-CG1 4.1Å; P31-V154 HydrophobicContact CB-CG2 4.44Å; P31-V154 HydrophobicContact CG-CB 4.38Å; P31-V154 HydrophobicContact CG-CG2 4.4Å; P31-R199 PolarHBondContact O-NH2 2.95Å
32	P	69.4	Low	68.1	Low	64 Å²	64	68.7 Å²	68.7	42%	0.416	41%	0.414	S	S	.	.			trans	-40.1	129.1	178.2	-32.4	30.3	0	0	0	112.5	D34 R199	P32-D34 VanDerWaalsContact CB-OD1 3.28Å; P32-D34 WeakPolarHBondContact CB-OD1 3.46Å; P32-D34 PolarHBondContact O-N 3.07Å; P32-R199 PolarHBondContact O-NH2 3.07Å
33	S	74.1	Confident	71.2	Confident	68 Å²	68	61.2 Å²	61.2	48%	0.476	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-8.3	-173.4	54	0	0	0	0	113.5	P31 R203	P31-S33 PolarHBondContact O-N 3.26Å; S33-R203 WeakPolarHBondContact O-CG 3.29Å; S33-R203 PolarHBondContact O-NE 3.03Å
34	D	80.3	Confident	74	Confident	63 Å²	63	55.5 Å²	55.5	34%	0.337	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-12.3	-172.3	61.3	-11.9	0	0	0	114.5	P32 R36 Q125 R205	P32-D34 VanDerWaalsContact CB-OD1 3.28Å; P32-D34 WeakPolarHBondContact CB-OD1 3.46Å; P32-D34 PolarHBondContact O-N 3.07Å; D34-R36 PolarHBondContact O-N 2.84Å; D34-Q125 HydrophobicContact CB-CG 4.43Å; D34-Q125 WeakPolarHBondContact OD2-CG 3.39Å; D34-R205 PolarHBondContact O-NH2 2.67Å
35	R	87.4	Confident	77	Confident	40 Å²	40	49.1 Å²	49.1	15%	0.151	31%	0.311	C	S	.	.			trans	-54.7	130.6	179.8	-75.7	171.8	177.9	136.6	-0.8	113.4	P124 Q125 F127 E128 R203	R35-P124 WeakPolarHBondContact CG-O 3.1Å; R35-P124 PolarHBondContact NE-O 2.65Å; R35-P124 VanDerWaalsContact NE-O 3.14Å; R35-Q125 CarbonylContact C-O 3.43Å; R35-Q125 WeakPolarHBondContact CA-O 3.39Å; R35-F127 VanDerWaalsContact CD-O 3.28Å; R35-F127 WeakPolarHBondContact CD-O 3.5Å; R35-F127 PolarHBondContact NE-O 3.29Å; R35-E128 HydrophobicContact CB-CB 4.26Å; R35-R203 PolarHBondContact O-NH2 3.09Å
36	R	92.9	Very high	79.9	Confident	50 Å²	50	45.5 Å²	45.5	19%	0.189	28%	0.281	C	S	.	.			trans	-80.8	-40.1	-174	-65.7	-171.5	-64.1	159.1	0.5	112.4	D34 Q125 D126 Q208	D34-R36 PolarHBondContact O-N 2.84Å; R36-Q125 WeakPolarHBondContact CG-O 3.08Å; R36-Q125 PolarHBondContact N-O 3.15Å; R36-D126 IonicContact CZ-OD1 3.68Å; R36-D126 PolarHBondContact N-O 3.26Å; R36-D126 IonicContact NE-OD1 2.98Å; R36-D126 PolarHBondContact NE-OD1 2.73Å; R36-D126 IonicContact NH2-OD1 2.81Å; R36-D126 PolarHBondContact NH2-OD1 3.36Å; R36-D126 IonicContact NH2-OD2 3.72Å; R36-Q208 HydrophobicContact CB-CG 4.42Å; R36-Q208 PolarHBondContact O-N 3.43Å
37	F	96.7	Very high	82.9	Confident	8 Å²	8	41.2 Å²	41.2	4%	0.035	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	149.5	-171	-51	-54.8	0	0	0	111.7	D126 F127 E128 Q208 R209 F211	F37-D126 WeakPolarHBondContact CB-O 3.36Å; F37-D126 HydrophobicContact CD2-CB 4.47Å; F37-D126 PolarHBondContact N-O 3.31Å; F37-F127 HydrophobicContact CB-CD1 3.74Å; F37-F127 HydrophobicContact CB-CE1 3.79Å; F37-F127 HydrophobicContact CD2-CD1 4.32Å; F37-F127 AromaticContact CD2-CE1 3.87Å; F37-F127 HydrophobicContact CD2-CE1 3.87Å; F37-F127 HydrophobicContact CD2-CE2 4.37Å; F37-F127 AromaticContact CD2-CZ 3.89Å; F37-F127 HydrophobicContact CD2-CZ 3.89Å; F37-F127 HydrophobicContact CG-CD1 4.49Å; F37-F127 HydrophobicContact CG-CE1 4.15Å; F37-E128 PolarHBondContact O-N 3.03Å; F37-Q208 HydrophobicContact CD1-CB 4.08Å; F37-Q208 HydrophobicContact CE1-CB 3.87Å; F37-R209 WeakPolarHBondContact CA-O 3.32Å; F37-R209 HydrophobicContact CD1-CB 3.86Å; F37-R209 HydrophobicContact CE1-CB 4.29Å; F37-F211 HydrophobicContact CB-CD2 4.33Å; F37-F211 HydrophobicContact CB-CE2 3.87Å; F37-F211 HydrophobicContact CD1-CE2 4.24Å; F37-F211 HydrophobicContact CG-CE2 4.02Å
38	L	97.9	Very high	85.7	Confident	0 Å²	0	33.2 Å²	33.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	128.9	169.6	173.6	62	0	0	0	108.4	I40 E128 V130 L192 Y195 V196 F207 R209 V210 F211	L38-I40 HydrophobicContact CD1-CD1 4.35Å; L38-I40 HydrophobicContact CD1-CG1 4.3Å; L38-I40 HydrophobicContact CD2-CD1 3.72Å; L38-I40 HydrophobicContact CD2-CG1 4.24Å; L38-I40 HydrophobicContact CG-CD1 3.58Å; L38-I40 HydrophobicContact CG-CG1 4.05Å; L38-E128 HydrophobicContact CD1-CB 4.15Å; L38-E128 HydrophobicContact CD1-CG 4.25Å; L38-E128 WeakPolarHBondContact CD1-O 3.29Å; L38-V130 HydrophobicContact CD1-CB 4.31Å; L38-V130 HydrophobicContact CD1-CG2 3.71Å; L38-L192 HydrophobicContact CD2-CD1 4.48Å; L38-Y195 HydrophobicContact CD1-CD1 4.46Å; L38-Y195 HydrophobicContact CD1-CE1 3.8Å; L38-Y195 HydrophobicContact CD2-CD1 3.99Å; L38-Y195 HydrophobicContact CD2-CE1 4.09Å; L38-V196 HydrophobicContact CD2-CG2 3.73Å; L38-F207 HydrophobicContact CB-CB 4.49Å; L38-F207 HydrophobicContact CB-CD1 3.85Å; L38-F207 HydrophobicContact CB-CD2 3.9Å; L38-F207 HydrophobicContact CB-CE1 3.96Å; L38-F207 HydrophobicContact CB-CE2 4.01Å; L38-F207 HydrophobicContact CB-CG 3.82Å; L38-F207 HydrophobicContact CB-CZ 4.03Å; L38-F207 HydrophobicContact CD2-CD2 4.11Å; L38-F207 HydrophobicContact CD2-CE2 3.87Å; L38-F207 HydrophobicContact CD2-CZ 4.4Å; L38-F207 HydrophobicContact CG-CE2 4.42Å; L38-R209 PolarHBondContact N-O 2.92Å; L38-R209 VanDerWaalsContact N-O 3.1Å; L38-V210 HydrophobicContact CB-CG2 4.45Å; L38-V210 HydrophobicContact CD2-CG1 4.24Å; L38-V210 HydrophobicContact CD2-CG2 4.49Å; L38-V210 HydrophobicContact CG-CG1 4.43Å; L38-V210 CarbonylContact O-C 3.48Å; L38-V210 WeakPolarHBondContact O-CA 3.46Å; L38-F211 PolarHBondContact O-N 2.83Å
39	I	98.6	Very high	88.4	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	128.1	169	-174.9	166.6	0	0	0	109.9	F41 L119 F127 E128 V129 V130 F211 V213 L272	I39-F41 HydrophobicContact CB-CE2 4.44Å; I39-F41 HydrophobicContact CD1-CE1 4.41Å; I39-F41 HydrophobicContact CD1-CE2 3.66Å; I39-F41 HydrophobicContact CD1-CZ 3.49Å; I39-F41 VanDerWaalsContact CD1-CZ 3.49Å; I39-F41 HydrophobicContact CG1-CD2 4.21Å; I39-F41 HydrophobicContact CG1-CE2 3.58Å; I39-F41 HydrophobicContact CG1-CZ 3.9Å; I39-F41 HydrophobicContact CG2-CE2 4.1Å; I39-L119 HydrophobicContact CG2-CD1 4.43Å; I39-L119 HydrophobicContact CG2-CD2 4.28Å; I39-F127 HydrophobicContact CB-CD1 4.4Å; I39-F127 HydrophobicContact CG2-CB 4.38Å; I39-F127 HydrophobicContact CG2-CD1 4.08Å; I39-E128 PolarHBondContact N-O 3.14Å; I39-V129 HydrophobicContact CG2-CB 4.13Å; I39-V129 HydrophobicContact CG2-CG1 4.1Å; I39-V129 HydrophobicContact CG2-CG2 3.7Å; I39-V129 WeakPolarHBondContact O-CA 3.42Å; I39-V130 PolarHBondContact O-N 2.59Å; I39-F211 CarbonylContact C-O 3.57Å; I39-F211 WeakPolarHBondContact CA-O 3.39Å; I39-F211 HydrophobicContact CB-CB 4.09Å; I39-F211 HydrophobicContact CD1-CB 4.32Å; I39-F211 HydrophobicContact CG1-CB 3.91Å; I39-V213 HydrophobicContact CD1-CG2 4.04Å; I39-V213 HydrophobicContact CG1-CG2 4.15Å; I39-L272 HydrophobicContact CD1-CD1 3.83Å
40	I	98.8	Very high	90.6	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.1	-179.9	-53	96	0	0	0	108.6	L38 V130 V132 L192 V210 F211 Y212 V213	L38-I40 HydrophobicContact CD1-CD1 4.35Å; L38-I40 HydrophobicContact CD1-CG1 4.3Å; L38-I40 HydrophobicContact CD2-CD1 3.72Å; L38-I40 HydrophobicContact CD2-CG1 4.24Å; L38-I40 HydrophobicContact CG-CD1 3.58Å; L38-I40 HydrophobicContact CG-CG1 4.05Å; I40-V130 CarbonylContact C-O 3.59Å; I40-V130 VanDerWaalsContact CA-O 3.3Å; I40-V130 WeakPolarHBondContact CA-O 3.16Å; I40-V130 HydrophobicContact CG1-CB 4.4Å; I40-V132 HydrophobicContact CG2-CB 3.99Å; I40-V132 HydrophobicContact CG2-CG2 3.62Å; I40-L192 HydrophobicContact CD1-CD1 3.58Å; I40-L192 HydrophobicContact CG1-CD1 3.97Å; I40-V210 HydrophobicContact CD1-CG1 3.39Å; I40-F211 WeakPolarHBondContact CD1-O 3.28Å; I40-F211 PolarHBondContact N-O 2.88Å; I40-Y212 HydrophobicContact CB-CD2 3.98Å; I40-Y212 HydrophobicContact CB-CE2 4.31Å; I40-Y212 HydrophobicContact CG2-CD2 4.09Å; I40-Y212 HydrophobicContact CG2-CE2 3.9Å; I40-V213 PolarHBondContact O-N 3.3Å
41	F	98.9	Very high	92.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	137.9	174.8	-69.2	-90	0	0	0	110.9	I39 I47 M112 L115 F116 L119 V129 V130 L131 V132 F153 V213	I39-F41 HydrophobicContact CB-CE2 4.44Å; I39-F41 HydrophobicContact CD1-CE1 4.41Å; I39-F41 HydrophobicContact CD1-CE2 3.66Å; I39-F41 HydrophobicContact CD1-CZ 3.49Å; I39-F41 VanDerWaalsContact CD1-CZ 3.49Å; I39-F41 HydrophobicContact CG1-CD2 4.21Å; I39-F41 HydrophobicContact CG1-CE2 3.58Å; I39-F41 HydrophobicContact CG1-CZ 3.9Å; I39-F41 HydrophobicContact CG2-CE2 4.1Å; F41-I47 HydrophobicContact CB-CD1 3.71Å; F41-I47 HydrophobicContact CB-CG1 4.06Å; F41-I47 HydrophobicContact CD1-CG1 4.22Å; F41-I47 HydrophobicContact CG-CD1 4.29Å; F41-I47 HydrophobicContact CG-CG1 4.38Å; F41-M112 HydrophobicContact CD1-SD 4.3Å; F41-M112 HydrophobicContact CE1-CE 4.33Å; F41-M112 HydrophobicContact CE1-SD 3.93Å; F41-L115 HydrophobicContact CE1-CD2 3.6Å; F41-L115 HydrophobicContact CZ-CD2 3.71Å; F41-L115 HydrophobicContact CZ-CG 4.23Å; F41-F116 HydrophobicContact CZ-CE1 4.46Å; F41-L119 HydrophobicContact CE2-CD1 3.89Å; F41-L119 HydrophobicContact CZ-CD1 3.9Å; F41-V129 HydrophobicContact CD2-CG1 3.95Å; F41-V129 HydrophobicContact CE2-CG1 3.82Å; F41-V130 PolarHBondContact N-O 2.73Å; F41-L131 CarbonylContact O-C 3.55Å; F41-L131 WeakPolarHBondContact O-CA 3.26Å; F41-V132 PolarHBondContact O-N 3.47Å; F41-F153 HydrophobicContact CB-CE1 4.42Å; F41-F153 HydrophobicContact CD2-CE1 4.04Å; F41-V213 WeakPolarHBondContact CA-O 3.37Å; F41-V213 HydrophobicContact CD1-CB 3.69Å; F41-V213 HydrophobicContact CD1-CG1 4.03Å; F41-V213 HydrophobicContact CD1-CG2 4Å; F41-V213 HydrophobicContact CE1-CB 3.89Å; F41-V213 HydrophobicContact CE1-CG1 4.07Å; F41-V213 HydrophobicContact CE1-CG2 3.74Å; F41-V213 HydrophobicContact CG-CB 4.43Å; F41-V213 HydrophobicContact CZ-CG2 4.22Å
42	D	98.8	Very high	93.9	Very high	4 Å²	4	25.1 Å²	25.1	2%	0.021	13%	0.133	C	C	.	.			trans	-72	170.5	150.3	-165.6	22	0	0	0	111	T46 I47 S133 K188 V213	D42-T46 HydrophobicContact CB-CG2 4.09Å; D42-T46 WeakPolarHBondContact O-CG2 3.45Å; D42-I47 VanDerWaalsContact O-CD1 3.31Å; D42-I47 WeakPolarHBondContact O-CD1 3.39Å; D42-I47 VanDerWaalsContact O-CG1 3.25Å; D42-I47 WeakPolarHBondContact O-CG1 3.41Å; D42-S133 WeakPolarHBondContact OD1-CA 3.19Å; D42-S133 VanDerWaalsContact OD1-CB 3.25Å; D42-S133 WeakPolarHBondContact OD1-CB 3.34Å; D42-S133 PolarHBondContact OD1-OG 3.41Å; D42-K188 IonicContact OD1-NZ 3.98Å; D42-K188 PolarHBondContact OD1-NZ 3.46Å; D42-K188 IonicContact OD2-NZ 3.94Å; D42-K188 PolarHBondContact OD2-NZ 3.3Å; D42-V213 PolarHBondContact N-O 3Å
43	F	98.8	Very high	95	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.117	C	C	.	.			trans	-105.6	-71.5	179.6	-174.2	-111.7	0	0	0	113.1	T46 I47 V48 L131 S133 A135 I140 W143	F43-T46 CarbonylContact O-C 3.53Å; F43-T46 PolarHBondContact O-N 3.35Å; F43-T46 VanDerWaalsContact O-N 3.16Å; F43-I47 HydrophobicContact CD2-CB 3.95Å; F43-I47 HydrophobicContact CD2-CD1 4.19Å; F43-I47 HydrophobicContact CD2-CG2 4.04Å; F43-I47 HydrophobicContact CE2-CB 4.44Å; F43-I47 HydrophobicContact CE2-CG2 4.07Å; F43-I47 PolarHBondContact O-N 3.19Å; F43-V48 HydrophobicContact CD1-CG2 4.02Å; F43-V48 HydrophobicContact CE1-CG1 4.21Å; F43-V48 HydrophobicContact CE1-CG2 3.82Å; F43-V48 HydrophobicContact CE2-CG1 3.75Å; F43-V48 HydrophobicContact CE2-CG2 4.38Å; F43-V48 HydrophobicContact CG-CG2 4.39Å; F43-V48 HydrophobicContact CZ-CB 4.45Å; F43-V48 HydrophobicContact CZ-CG1 3.55Å; F43-V48 HydrophobicContact CZ-CG2 4.01Å; F43-V48 WeakPolarHBondContact O-CG2 3.48Å; F43-V48 PolarHBondContact O-N 3.34Å; F43-V48 VanDerWaalsContact O-N 3.07Å; F43-L131 HydrophobicContact CB-CD2 4.23Å; F43-L131 HydrophobicContact CD2-CD1 4.26Å; F43-S133 VanDerWaalsContact CB-OG 3.32Å; F43-S133 WeakPolarHBondContact CB-OG 3.47Å; F43-A135 HydrophobicContact CD1-CB 4.14Å; F43-I140 HydrophobicContact CB-CD1 4.28Å; F43-I140 HydrophobicContact CB-CG1 4.19Å; F43-I140 HydrophobicContact CD1-CG1 3.71Å; F43-I140 HydrophobicContact CD2-CG1 4.06Å; F43-I140 HydrophobicContact CE1-CG1 4.05Å; F43-I140 HydrophobicContact CE2-CG1 4.39Å; F43-I140 HydrophobicContact CG-CD1 4.34Å; F43-I140 HydrophobicContact CG-CG1 3.72Å; F43-I140 HydrophobicContact CZ-CG1 4.38Å; F43-W143 HydrophobicContact CE2-CB 4.24Å; F43-W143 HydrophobicContact CE2-CD2 4.17Å; F43-W143 AromaticContact CE2-CE3 3.94Å; F43-W143 HydrophobicContact CE2-CE3 3.94Å; F43-W143 HydrophobicContact CE2-CG 4.29Å; F43-W143 HydrophobicContact CZ-CB 3.76Å; F43-W143 HydrophobicContact CZ-CD2 4.28Å; F43-W143 HydrophobicContact CZ-CE3 4.49Å; F43-W143 AromaticContact CZ-CG 3.94Å; F43-W143 HydrophobicContact CZ-CG 3.94Å
44	D	98.1	Very high	95.9	Very high	21 Å²	21	24.5 Å²	24.5	11%	0.112	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	135.3	-177.7	-64.6	-57.7	0	0	0	110.9	T46 S52 A135	D44-T46 PolarHBondContact O-N 3.15Å; D44-S52 WeakPolarHBondContact OD1-CA 2.92Å; D44-S52 WeakPolarHBondContact OD1-CB 3.39Å; D44-S52 PolarHBondContact OD1-N 3.11Å; D44-S52 PolarHBondContact OD1-OG 3.3Å; D44-S52 PolarHBondContact OD2-OG 3.29Å; D44-A135 VanDerWaalsContact OD2-CB 3.26Å; D44-A135 WeakPolarHBondContact OD2-CB 3.48Å
45	E	98.3	Very high	96.7	Very high	64 Å²	64	21.8 Å²	21.8	30%	0.299	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.1	14.5	-175.5	-57.4	-151.9	109.8	0	0	115.5	V48 E50 D215 R235 Y238	E45-V48 CarbonylContact C-O 3.55Å; E45-V48 VanDerWaalsContact C-O 3.28Å; E45-V48 WeakPolarHBondContact CA-O 3.41Å; E45-V48 PolarHBondContact N-O 3.1Å; E45-E50 PolarHBondContact N-O 3.3Å; E45-D215 WeakPolarHBondContact CB-OD2 3.29Å; E45-R235 WeakPolarHBondContact O-CD 3.24Å; E45-R235 PolarHBondContact O-NH1 3.26Å; E45-Y238 HydrophobicContact CB-CE1 4Å; E45-Y238 HydrophobicContact CG-CE1 4.4Å; E45-Y238 WeakPolarHBondContact OE2-CE1 3.5Å
46	T	98.8	Very high	97.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-71.2	176.3	-73.5	0	0	0	0	109.8	D42 F43 D44 V48 S109 M112 V213 G214 D215 W262	D42-T46 HydrophobicContact CB-CG2 4.09Å; D42-T46 WeakPolarHBondContact O-CG2 3.45Å; F43-T46 CarbonylContact O-C 3.53Å; F43-T46 PolarHBondContact O-N 3.35Å; F43-T46 VanDerWaalsContact O-N 3.16Å; D44-T46 PolarHBondContact O-N 3.15Å; T46-V48 PolarHBondContact N-O 3.03Å; T46-S109 WeakPolarHBondContact O-CB 3.5Å; T46-S109 PolarHBondContact O-OG 3.28Å; T46-M112 VanDerWaalsContact O-CE 3.24Å; T46-M112 WeakPolarHBondContact O-CE 3.36Å; T46-V213 HydrophobicContact CG2-CG1 4.06Å; T46-G214 WeakPolarHBondContact OG1-CA 3.14Å; T46-D215 PolarHBondContact OG1-N 3.49Å; T46-D215 PolarHBondContact OG1-OD1 2.89Å; T46-W262 HydrophobicContact CG2-CZ2 4.24Å; T46-W262 WeakPolarHBondContact O-CH2 3.34Å
47	I	98.8	Very high	97.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-48.7	173.2	-73.3	169.8	0	0	0	110.2	F41 D42 F43 S109 M112 F116 L131 W143 F153	F41-I47 HydrophobicContact CB-CD1 3.71Å; F41-I47 HydrophobicContact CB-CG1 4.06Å; F41-I47 HydrophobicContact CD1-CG1 4.22Å; F41-I47 HydrophobicContact CG-CD1 4.29Å; F41-I47 HydrophobicContact CG-CG1 4.38Å; D42-I47 VanDerWaalsContact O-CD1 3.31Å; D42-I47 WeakPolarHBondContact O-CD1 3.39Å; D42-I47 VanDerWaalsContact O-CG1 3.25Å; D42-I47 WeakPolarHBondContact O-CG1 3.41Å; F43-I47 HydrophobicContact CD2-CB 3.95Å; F43-I47 HydrophobicContact CD2-CD1 4.19Å; F43-I47 HydrophobicContact CD2-CG2 4.04Å; F43-I47 HydrophobicContact CE2-CB 4.44Å; F43-I47 HydrophobicContact CE2-CG2 4.07Å; F43-I47 PolarHBondContact O-N 3.19Å; I47-S109 PolarHBondContact O-N 3.49Å; I47-M112 HydrophobicContact CG1-SD 4.32Å; I47-M112 HydrophobicContact CG2-CG 4.33Å; I47-F116 HydrophobicContact CB-CZ 4.44Å; I47-F116 HydrophobicContact CD1-CZ 4Å; I47-F116 HydrophobicContact CG1-CE1 4.44Å; I47-F116 HydrophobicContact CG1-CZ 3.87Å; I47-F116 HydrophobicContact CG2-CE2 4.11Å; I47-F116 HydrophobicContact CG2-CZ 3.77Å; I47-L131 HydrophobicContact CD1-CD1 3.7Å; I47-L131 HydrophobicContact CD1-CG 4.15Å; I47-W143 HydrophobicContact CG2-CE3 4.05Å; I47-W143 HydrophobicContact CG2-CH2 3.67Å; I47-W143 HydrophobicContact CG2-CZ3 3.36Å; I47-F153 HydrophobicContact CD1-CE1 4.15Å; I47-F153 HydrophobicContact CD1-CZ 3.76Å
48	V	98.7	Very high	97.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	B	Isolated β-bridge	trans	-94.8	149.1	173.6	-69.7	0	0	0	0	109.5	F43 E45 T46 E50 I106 S109 W143	F43-V48 HydrophobicContact CD1-CG2 4.02Å; F43-V48 HydrophobicContact CE1-CG1 4.21Å; F43-V48 HydrophobicContact CE1-CG2 3.82Å; F43-V48 HydrophobicContact CE2-CG1 3.75Å; F43-V48 HydrophobicContact CE2-CG2 4.38Å; F43-V48 HydrophobicContact CG-CG2 4.39Å; F43-V48 HydrophobicContact CZ-CB 4.45Å; F43-V48 HydrophobicContact CZ-CG1 3.55Å; F43-V48 HydrophobicContact CZ-CG2 4.01Å; F43-V48 WeakPolarHBondContact O-CG2 3.48Å; F43-V48 PolarHBondContact O-N 3.34Å; F43-V48 VanDerWaalsContact O-N 3.07Å; E45-V48 CarbonylContact C-O 3.55Å; E45-V48 VanDerWaalsContact C-O 3.28Å; E45-V48 WeakPolarHBondContact CA-O 3.41Å; E45-V48 PolarHBondContact N-O 3.1Å; T46-V48 PolarHBondContact N-O 3.03Å; V48-E50 VanDerWaalsContact CG2-O 3.29Å; V48-E50 WeakPolarHBondContact CG2-O 3.4Å; V48-E50 PolarHBondContact O-N 2.94Å; V48-I106 HydrophobicContact CB-CB 4.48Å; V48-I106 HydrophobicContact CB-CG2 3.65Å; V48-I106 HydrophobicContact CG1-CB 4.35Å; V48-I106 HydrophobicContact CG1-CG2 4.04Å; V48-I106 HydrophobicContact CG2-CG2 4.31Å; V48-S109 PolarHBondContact O-OG 2.75Å; V48-W143 HydrophobicContact CG1-CD2 3.67Å; V48-W143 HydrophobicContact CG1-CE3 4.3Å; V48-W143 HydrophobicContact CG1-CG 3.94Å; V48-W143 HydrophobicContact CG1-CH2 4.4Å; V48-W143 HydrophobicContact CG1-CZ2 3.79Å
49	N	97.9	Very high	97.1	Very high	49 Å²	49	23.8 Å²	23.8	26%	0.262	12%	0.124	S	C	.	.	S	Bend	trans	-84.3	0.8	-172.4	-163	46.7	0	0	0	113.8	P107 R235	N49-P107 HydrophobicContact CB-CG 4.2Å; N49-P107 PolarHBondContact N-O 3.43Å; N49-R235 PolarHBondContact OD1-NH2 3.44Å
50	E	97.3	Very high	96.9	Very high	74 Å²	74	24 Å²	24	35%	0.346	13%	0.126	S	C	.	.	S	Bend	trans	-139.4	161.5	-176.4	-62	174.9	-128.7	0	0	109	E45 V48 S52 V55 I106 P107	E45-E50 PolarHBondContact N-O 3.3Å; V48-E50 VanDerWaalsContact CG2-O 3.29Å; V48-E50 WeakPolarHBondContact CG2-O 3.4Å; V48-E50 PolarHBondContact O-N 2.94Å; E50-S52 PolarHBondContact O-N 2.98Å; E50-V55 HydrophobicContact CB-CG2 3.85Å; E50-V55 VanDerWaalsContact OE2-CG2 3.24Å; E50-V55 WeakPolarHBondContact OE2-CG2 3.38Å; E50-I106 HydrophobicContact CB-CG2 4.01Å; E50-P107 WeakPolarHBondContact OE1-CD 3.47Å; E50-P107 WeakPolarHBondContact OE1-CG 3.3Å
51	S	95.9	Very high	96.6	Very high	21 Å²	21	26.7 Å²	26.7	15%	0.147	14%	0.144	C	C	.	.			trans	-71.5	119.8	169.3	168.7	0	0	0	0	110.5	D53 D54 V55	S51-D53 PolarHBondContact O-N 3.32Å; S51-D54 VanDerWaalsContact CB-OD2 3.29Å; S51-D54 WeakPolarHBondContact CB-OD2 3.35Å; S51-D54 PolarHBondContact O-N 3.21Å; S51-D54 VanDerWaalsContact O-N 3.16Å; S51-D54 PolarHBondContact OG-N 3.05Å; S51-D54 PolarHBondContact OG-OD2 3.27Å; S51-V55 WeakPolarHBondContact O-CG2 3.39Å; S51-V55 PolarHBondContact O-N 3.42Å
52	S	96.1	Very high	96.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.5	-30.4	178.3	62.3	0	0	0	0	112.9	D44 E50 D54 V55 V56	D44-S52 WeakPolarHBondContact OD1-CA 2.92Å; D44-S52 WeakPolarHBondContact OD1-CB 3.39Å; D44-S52 PolarHBondContact OD1-N 3.11Å; D44-S52 PolarHBondContact OD1-OG 3.3Å; D44-S52 PolarHBondContact OD2-OG 3.29Å; E50-S52 PolarHBondContact O-N 2.98Å; S52-D54 VanDerWaalsContact C-N 3.35Å; S52-V55 PolarHBondContact O-N 3.24Å; S52-V56 WeakPolarHBondContact O-CB 3.36Å; S52-V56 PolarHBondContact O-N 2.95Å
53	D	92.8	Very high	96.1	Very high	15 Å²	15	36.9 Å²	36.9	8%	0.08	21%	0.212	C	C	.	.	H	α-helix	trans	-72.8	-27	175.5	-68.8	-48.9	0	0	0	112.8	S51 V56 Y78 M82	S51-D53 PolarHBondContact O-N 3.32Å; D53-V56 WeakPolarHBondContact O-CG1 3.35Å; D53-Y78 HydrophobicContact CB-CE1 3.65Å; D53-Y78 WeakPolarHBondContact CB-OH 3.15Å; D53-Y78 WeakPolarHBondContact OD2-CE1 3.28Å; D53-M82 HydrophobicContact CB-CE 3.79Å; D53-M82 HydrophobicContact CB-CG 4.33Å; D53-M82 HydrophobicContact CB-SD 4.04Å
54	D	92.9	Very high	95.8	Very high	104 Å²	104	41 Å²	41	56%	0.556	23%	0.234	S	C	*	.	H	α-helix	trans	-78.6	-42.1	171.1	-66.5	-27.4	0	0	0	110.9	S51 S52 V56 V57	S51-D54 VanDerWaalsContact CB-OD2 3.29Å; S51-D54 WeakPolarHBondContact CB-OD2 3.35Å; S51-D54 PolarHBondContact O-N 3.21Å; S51-D54 VanDerWaalsContact O-N 3.16Å; S51-D54 PolarHBondContact OG-N 3.05Å; S51-D54 PolarHBondContact OG-OD2 3.27Å; S52-D54 VanDerWaalsContact C-N 3.35Å; D54-V56 VanDerWaalsContact C-N 3.34Å; D54-V56 PolarHBondContact O-N 3Å; D54-V57 WeakPolarHBondContact O-CB 3.33Å; D54-V57 PolarHBondContact O-N 3.3Å
55	V	96.1	Very high	95.7	Very high	7 Å²	7	40.2 Å²	40.2	4%	0.042	23%	0.229	C	C	.	.	H	α-helix	trans	-65.9	-36	-178.7	172.5	0	0	0	0	111.7	E50 S51 S52 V57 Q58 V102 I106	E50-V55 HydrophobicContact CB-CG2 3.85Å; E50-V55 VanDerWaalsContact OE2-CG2 3.24Å; E50-V55 WeakPolarHBondContact OE2-CG2 3.38Å; S51-V55 WeakPolarHBondContact O-CG2 3.39Å; S51-V55 PolarHBondContact O-N 3.42Å; S52-V55 PolarHBondContact O-N 3.24Å; V55-V57 PolarHBondContact O-N 3.41Å; V55-Q58 VanDerWaalsContact O-CB 3.28Å; V55-Q58 WeakPolarHBondContact O-CB 3.31Å; V55-Q58 VanDerWaalsContact O-CG 3.29Å; V55-Q58 WeakPolarHBondContact O-CG 3.43Å; V55-Q58 PolarHBondContact O-N 3.22Å; V55-V102 HydrophobicContact CG1-CG1 3.45Å; V55-V102 VanDerWaalsContact CG1-CG1 3.45Å; V55-V102 WeakPolarHBondContact O-CG1 3.4Å; V55-I106 HydrophobicContact CB-CD1 4.13Å; V55-I106 HydrophobicContact CB-CG1 4.08Å; V55-I106 HydrophobicContact CG1-CD1 4.1Å; V55-I106 HydrophobicContact CG1-CG1 3.65Å; V55-I106 HydrophobicContact CG2-CD1 4.48Å; V55-I106 HydrophobicContact CG2-CG1 4.19Å
56	V	95.8	Very high	95.5	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-58.8	-24.2	-179.1	80.2	0	0	0	0	113.3	S52 D53 D54 Q58 A59 M82 M89 I99 I103 F139	S52-V56 WeakPolarHBondContact O-CB 3.36Å; S52-V56 PolarHBondContact O-N 2.95Å; D53-V56 WeakPolarHBondContact O-CG1 3.35Å; D54-V56 VanDerWaalsContact C-N 3.34Å; D54-V56 PolarHBondContact O-N 3Å; V56-Q58 PolarHBondContact O-N 2.86Å; V56-Q58 VanDerWaalsContact O-N 3.16Å; V56-A59 WeakPolarHBondContact O-CB 3.49Å; V56-A59 PolarHBondContact O-N 3.28Å; V56-M82 HydrophobicContact CG1-CE 3.78Å; V56-M89 HydrophobicContact CG2-CE 4.28Å; V56-I99 HydrophobicContact CG2-CG2 3.68Å; V56-I103 HydrophobicContact CB-CD1 4.23Å; V56-I103 HydrophobicContact CG2-CD1 4.44Å; V56-F139 HydrophobicContact CB-CE2 4.28Å; V56-F139 HydrophobicContact CB-CZ 3.97Å; V56-F139 HydrophobicContact CG1-CE2 4.46Å; V56-F139 HydrophobicContact CG1-CZ 4.24Å; V56-F139 HydrophobicContact CG2-CE1 4.1Å; V56-F139 HydrophobicContact CG2-CE2 4.46Å; V56-F139 HydrophobicContact CG2-CZ 3.68Å
57	V	95.1	Very high	95.3	Very high	30 Å²	30	41.8 Å²	41.8	18%	0.182	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-58.6	-27	174.7	175.1	0	0	0	0	112.2	D54 V55 A59 A60 L65	D54-V57 WeakPolarHBondContact O-CB 3.33Å; D54-V57 PolarHBondContact O-N 3.3Å; V55-V57 PolarHBondContact O-N 3.41Å; V57-A59 PolarHBondContact O-N 2.87Å; V57-A60 WeakPolarHBondContact O-CB 3.33Å; V57-A60 PolarHBondContact O-N 3.14Å; V57-L65 HydrophobicContact CG1-CD1 4.32Å; V57-L65 HydrophobicContact CG1-CD2 4.18Å; V57-L65 HydrophobicContact CG1-CG 3.74Å; V57-L65 HydrophobicContact CG2-CD1 3.9Å; V57-L65 HydrophobicContact CG2-CG 4.19Å
58	Q	96.4	Very high	95.2	Very high	96 Å²	96	49 Å²	49	45%	0.449	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-64.5	-19.2	175.9	-59.4	175.5	18.7	0	0	112.9	V55 V56 A60 Q63 V102	V55-Q58 VanDerWaalsContact O-CB 3.28Å; V55-Q58 WeakPolarHBondContact O-CB 3.31Å; V55-Q58 VanDerWaalsContact O-CG 3.29Å; V55-Q58 WeakPolarHBondContact O-CG 3.43Å; V55-Q58 PolarHBondContact O-N 3.22Å; V56-Q58 PolarHBondContact O-N 2.86Å; V56-Q58 VanDerWaalsContact O-N 3.16Å; Q58-A60 VanDerWaalsContact C-N 3.33Å; Q58-Q63 WeakPolarHBondContact O-CG 2.82Å; Q58-V102 HydrophobicContact CB-CG1 4.04Å; Q58-V102 HydrophobicContact CB-CG2 4.25Å
59	A	96.5	Very high	95	Very high	13 Å²	13	49.1 Å²	49.1	11%	0.107	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-82.6	-10.2	172.6	0	0	0	0	0	113	V56 V57 M89 V94 I99 V102	V56-A59 WeakPolarHBondContact O-CB 3.49Å; V56-A59 PolarHBondContact O-N 3.28Å; V57-A59 PolarHBondContact O-N 2.87Å; A59-M89 HydrophobicContact CB-CE 3.55Å; A59-V94 HydrophobicContact CB-CG1 4.21Å; A59-V94 VanDerWaalsContact O-CG1 3.31Å; A59-V94 WeakPolarHBondContact O-CG1 3.3Å; A59-V94 WeakPolarHBondContact O-CG2 3.42Å; A59-I99 HydrophobicContact CB-CG1 4.35Å; A59-V102 HydrophobicContact CB-CB 4.36Å; A59-V102 HydrophobicContact CB-CG2 3.92Å
60	A	95	Very high	94.8	Very high	4 Å²	4	51.1 Å²	51.1	3%	0.033	29%	0.285	C	S	.	.	S	Bend	trans	-68.2	155.3	175.3	0	0	0	0	0	111.3	V57 Q58 G62 Q63 L65 M89	V57-A60 WeakPolarHBondContact O-CB 3.33Å; V57-A60 PolarHBondContact O-N 3.14Å; Q58-A60 VanDerWaalsContact C-N 3.33Å; A60-G62 PolarHBondContact O-N 3.47Å; A60-Q63 WeakPolarHBondContact O-CA 3.35Å; A60-Q63 PolarHBondContact O-N 3.37Å; A60-L65 HydrophobicContact CB-CD2 4Å; A60-M89 HydrophobicContact CB-CG 4.38Å
61	P	91.6	Very high	94.6	Very high	58 Å²	58	53.9 Å²	53.9	38%	0.377	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-55.2	129.8	174.8	-22.8	32	0	0	0	111.5	Q63 K92 V94	P61-Q63 PolarHBondContact O-N 2.84Å; P61-K92 HydrophobicContact CG-CB 3.49Å; P61-K92 VanDerWaalsContact CG-CB 3.49Å; P61-K92 HydrophobicContact CG-CG 3.93Å; P61-V94 HydrophobicContact CG-CG2 4.37Å
62	G	92.8	Very high	94.5	Very high	77 Å²	77	54.5 Å²	54.5	79%	0.794	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	65.2	15.4	-175.6	0	0	0	0	0	114.3	A60 N64	A60-G62 PolarHBondContact O-N 3.47Å; G62-N64 PolarHBondContact O-N 3.25Å; G62-N64 VanDerWaalsContact O-N 3.14Å
63	Q	94.1	Very high	94.2	Very high	142 Å²	142	60 Å²	60	66%	0.664	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	56.4	27	179.7	-51.1	-177.3	-11.4	0	0	113.3	Q58 A60 P61	Q58-Q63 WeakPolarHBondContact O-CG 2.82Å; A60-Q63 WeakPolarHBondContact O-CA 3.35Å; A60-Q63 PolarHBondContact O-N 3.37Å; P61-Q63 PolarHBondContact O-N 2.84Å
64	N	93.2	Very high	93.9	Very high	86 Å²	86	65.2 Å²	65.2	46%	0.46	35%	0.346	S	S	.	.			trans	-146.5	144.2	-173.2	-168.2	24.1	0	0	0	111.1	G62 K70	G62-N64 PolarHBondContact O-N 3.25Å; G62-N64 VanDerWaalsContact O-N 3.14Å; N64-K70 WeakPolarHBondContact OD1-CE 3.47Å; N64-K70 PolarHBondContact OD1-NZ 3.1Å
65	L	94.9	Very high	93.2	Very high	4 Å²	4	65.2 Å²	65.2	2%	0.021	35%	0.351	C	S	.	.			trans	-88.1	145.2	171.6	-57.1	178.7	0	0	0	110.3	V57 A60 L69 K70 Y81 V85 Y88	V57-L65 HydrophobicContact CG1-CD1 4.32Å; V57-L65 HydrophobicContact CG1-CD2 4.18Å; V57-L65 HydrophobicContact CG1-CG 3.74Å; V57-L65 HydrophobicContact CG2-CD1 3.9Å; V57-L65 HydrophobicContact CG2-CG 4.19Å; A60-L65 HydrophobicContact CB-CD2 4Å; L65-L69 HydrophobicContact CB-CD2 4.34Å; L65-L69 HydrophobicContact CD1-CD2 4.43Å; L65-L69 HydrophobicContact CD2-CD2 4.13Å; L65-K70 HydrophobicContact CB-CD 4.47Å; L65-K70 HydrophobicContact CB-CG 3.9Å; L65-K70 WeakPolarHBondContact O-CE 3.24Å; L65-Y81 WeakPolarHBondContact CD1-OH 3.39Å; L65-V85 HydrophobicContact CD1-CG1 3.97Å; L65-V85 HydrophobicContact CD1-CG2 3.71Å; L65-V85 HydrophobicContact CD2-CG1 3.87Å; L65-Y88 HydrophobicContact CD2-CD1 4.15Å; L65-Y88 HydrophobicContact CD2-CE1 4.28Å
66	P	95.4	Very high	92.1	Very high	31 Å²	31	67.9 Å²	67.9	20%	0.201	38%	0.381	C	S	.	.			trans	-66	149.4	173.7	29.5	-35.2	0	0	0	110.9	W68 L69 K70 Y88	P66-W68 VanDerWaalsContact C-N 3.32Å; P66-W68 HydrophobicContact CB-CG 4.41Å; P66-W68 VanDerWaalsContact CB-NE1 3.35Å; P66-W68 HydrophobicContact CG-CD2 4.33Å; P66-W68 HydrophobicContact CG-CZ2 3.86Å; P66-W68 VanDerWaalsContact CG-NE1 3.3Å; P66-W68 PolarHBondContact O-N 3.32Å; P66-L69 HydrophobicContact CG-CB 3.86Å; P66-L69 HydrophobicContact CG-CD2 4.43Å; P66-L69 WeakPolarHBondContact O-CB 3.35Å; P66-L69 PolarHBondContact O-N 3.01Å; P66-K70 PolarHBondContact O-N 2.98Å; P66-Y88 HydrophobicContact CG-CD2 4.35Å; P66-Y88 HydrophobicContact CG-CE1 4.49Å; P66-Y88 HydrophobicContact CG-CE2 3.81Å
67	A	94.9	Very high	91.4	Very high	67 Å²	67	71 Å²	71	55%	0.554	40%	0.395	S	S	*	.	H	α-helix	trans	-54.7	-46.7	-176.2	0	0	0	0	0	112.3	L69 K70 D71	A67-L69 PolarHBondContact O-N 2.87Å; A67-K70 PolarHBondContact O-N 3Å; A67-D71 PolarHBondContact O-N 3.27Å
68	W	94.9	Very high	90.8	Very high	151 Å²	151	72.8 Å²	72.8	57%	0.572	40%	0.399	S	S	*	.	H	α-helix	trans	-55	-30.2	179.1	69	-102	0	0	0	113.5	P66 T72 Y88	P66-W68 VanDerWaalsContact C-N 3.32Å; P66-W68 HydrophobicContact CB-CG 4.41Å; P66-W68 VanDerWaalsContact CB-NE1 3.35Å; P66-W68 HydrophobicContact CG-CD2 4.33Å; P66-W68 HydrophobicContact CG-CZ2 3.86Å; P66-W68 VanDerWaalsContact CG-NE1 3.3Å; P66-W68 PolarHBondContact O-N 3.32Å; W68-T72 WeakPolarHBondContact O-CG2 3.29Å; W68-Y88 HydrophobicContact CH2-CD2 4.38Å; W68-Y88 AromaticContact CZ2-CD2 3.96Å; W68-Y88 HydrophobicContact CZ2-CD2 3.96Å; W68-Y88 HydrophobicContact CZ2-CE2 4.32Å
69	L	95.1	Very high	90.1	Very high	2 Å²	2	69.5 Å²	69.5	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-80.7	-44.7	179.2	178.1	59	0	0	0	110.8	L65 P66 A67 D71 T72 Y81 R84 V85 Y88	L65-L69 HydrophobicContact CB-CD2 4.34Å; L65-L69 HydrophobicContact CD1-CD2 4.43Å; L65-L69 HydrophobicContact CD2-CD2 4.13Å; P66-L69 HydrophobicContact CG-CB 3.86Å; P66-L69 HydrophobicContact CG-CD2 4.43Å; P66-L69 WeakPolarHBondContact O-CB 3.35Å; P66-L69 PolarHBondContact O-N 3.01Å; A67-L69 PolarHBondContact O-N 2.87Å; L69-D71 VanDerWaalsContact C-N 3.26Å; L69-D71 PolarHBondContact O-N 3.48Å; L69-T72 WeakPolarHBondContact O-CB 3.3Å; L69-T72 WeakPolarHBondContact O-CG2 3.29Å; L69-T72 PolarHBondContact O-N 2.96Å; L69-T72 VanDerWaalsContact O-N 3.07Å; L69-T72 PolarHBondContact O-OG1 3.4Å; L69-Y81 WeakPolarHBondContact O-CE2 3.17Å; L69-R84 HydrophobicContact CD1-CB 3.78Å; L69-V85 HydrophobicContact CD2-CG2 4.24Å; L69-V85 HydrophobicContact CG-CG2 4.36Å; L69-Y88 HydrophobicContact CD2-CD1 3.93Å; L69-Y88 HydrophobicContact CD2-CD2 4.45Å; L69-Y88 HydrophobicContact CD2-CG 3.77Å
70	K	93	Very high	89.7	Confident	92 Å²	92	72.2 Å²	72.2	40%	0.4	40%	0.395	S	S	.	.	H	α-helix	trans	-57.2	-42.5	175.8	-66	-178	178.2	177.8	0	111.3	N64 L65 P66 A67 T72 Y73	N64-K70 WeakPolarHBondContact OD1-CE 3.47Å; N64-K70 PolarHBondContact OD1-NZ 3.1Å; L65-K70 HydrophobicContact CB-CD 4.47Å; L65-K70 HydrophobicContact CB-CG 3.9Å; L65-K70 WeakPolarHBondContact O-CE 3.24Å; P66-K70 PolarHBondContact O-N 2.98Å; A67-K70 PolarHBondContact O-N 3Å; K70-T72 PolarHBondContact O-N 2.83Å; K70-Y73 WeakPolarHBondContact O-CB 3.42Å; K70-Y73 PolarHBondContact O-N 2.9Å; K70-Y73 VanDerWaalsContact O-N 3.11Å
71	D	93.8	Very high	89.5	Confident	131 Å²	131	73.3 Å²	73.3	70%	0.701	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-11.8	180	-63.5	-19.8	0	0	0	113.2	A67 L69 Y73	A67-D71 PolarHBondContact O-N 3.27Å; L69-D71 VanDerWaalsContact C-N 3.26Å; L69-D71 PolarHBondContact O-N 3.48Å; D71-Y73 VanDerWaalsContact C-N 3.34Å
72	T	93.4	Very high	89.5	Confident	35 Å²	35	70.7 Å²	70.7	22%	0.215	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-7.4	177.4	79.2	0	0	0	0	114.4	W68 L69 K70 R84	W68-T72 WeakPolarHBondContact O-CG2 3.29Å; L69-T72 WeakPolarHBondContact O-CB 3.3Å; L69-T72 WeakPolarHBondContact O-CG2 3.29Å; L69-T72 PolarHBondContact O-N 2.96Å; L69-T72 VanDerWaalsContact O-N 3.07Å; L69-T72 PolarHBondContact O-OG1 3.4Å; K70-T72 PolarHBondContact O-N 2.83Å; T72-R84 PolarHBondContact O-NH1 3.47Å; T72-R84 PolarHBondContact O-NH2 3.5Å; T72-R84 PolarHBondContact OG1-NH1 2.98Å; T72-R84 PolarHBondContact OG1-NH2 2.95Å
73	Y	91.1	Very high	89.5	Confident	116 Å²	116	70.1 Å²	70.1	46%	0.455	36%	0.358	S	S	.	.			trans	-59.8	136.2	175.9	171.5	-105.8	0	0	0	111.1	K70 D71 P75 Y78 Y81	K70-Y73 WeakPolarHBondContact O-CB 3.42Å; K70-Y73 PolarHBondContact O-N 2.9Å; K70-Y73 VanDerWaalsContact O-N 3.11Å; D71-Y73 VanDerWaalsContact C-N 3.34Å; Y73-P75 HydrophobicContact CE1-CG 4.39Å; Y73-Y78 HydrophobicContact CD2-CD2 4.3Å; Y73-Y78 AromaticContact CE2-CD2 3.83Å; Y73-Y78 HydrophobicContact CE2-CD2 3.83Å; Y73-Y81 HydrophobicContact CD2-CD1 4.28Å; Y73-Y81 HydrophobicContact CD2-CG 4.12Å
74	R	86.5	Confident	89.5	Confident	123 Å²	123	67.1 Å²	67.1	46%	0.464	34%	0.34	S	S	.	.			trans	-130.1	132.1	173.7	-61.8	-177.1	-66.1	-179.4	0.1	108.6	G76 H77 E80	R74-G76 PolarHBondContact O-N 3.32Å; R74-H77 HydrophobicContact CB-CB 4.16Å; R74-H77 PolarHBondContact O-N 2.93Å; R74-E80 IonicContact CZ-OE2 2.83Å; R74-E80 IonicContact NH2-OE2 2.88Å; R74-E80 PolarHBondContact NH2-OE2 2.94Å
75	P	78.3	Confident	89.6	Confident	104 Å²	104	63 Å²	63	68%	0.675	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.1	134	173.1	-26.8	35	0	0	0	111.1	Y73 H77	Y73-P75 HydrophobicContact CE1-CG 4.39Å; P75-H77 VanDerWaalsContact C-N 3.26Å; P75-H77 PolarHBondContact O-CD2 3.43Å; P75-H77 PolarHBondContact O-N 3.43Å
76	G	72.9	Confident	89.6	Confident	64 Å²	64	63 Å²	63	66%	0.66	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.1	-13.5	-178.2	0	0	0	0	0	116.1	R74	R74-G76 PolarHBondContact O-N 3.32Å
77	H	80.7	Confident	89.6	Confident	66 Å²	66	62.8 Å²	62.8	31%	0.306	32%	0.319	S	S	.	.			trans	-111.8	39.6	179.7	-62.5	-92.1	0	0	0	112.3	R74 P75 N79 E80 Y81	R74-H77 HydrophobicContact CB-CB 4.16Å; R74-H77 PolarHBondContact O-N 2.93Å; P75-H77 VanDerWaalsContact C-N 3.26Å; P75-H77 PolarHBondContact O-CD2 3.43Å; P75-H77 PolarHBondContact O-N 3.43Å; H77-N79 PolarHBondContact O-N 3.18Å; H77-E80 HydrophobicContact CB-CB 4.45Å; H77-E80 IonicContact CE1-OE1 3.78Å; H77-E80 IonicContact CG-OE1 3.83Å; H77-E80 IonicContact ND1-OE1 3.66Å; H77-E80 PolarHBondContact ND1-OE1 2.92Å; H77-E80 IonicContact ND1-OE2 3.29Å; H77-E80 PolarHBondContact O-N 3.49Å; H77-Y81 PolarHBondContact O-N 3.46Å; H77-Y81 VanDerWaalsContact O-N 3.15Å
78	Y	81.8	Confident	89.6	Confident	67 Å²	67	60.9 Å²	60.9	26%	0.263	30%	0.298	S	S	.	.	H	α-helix	trans	-61.8	-41.2	-175.4	-170.3	-102.9	0	0	0	112.6	D53 Y73 E80 Y81 M82	D53-Y78 HydrophobicContact CB-CE1 3.65Å; D53-Y78 WeakPolarHBondContact CB-OH 3.15Å; D53-Y78 WeakPolarHBondContact OD2-CE1 3.28Å; Y73-Y78 HydrophobicContact CD2-CD2 4.3Å; Y73-Y78 AromaticContact CE2-CD2 3.83Å; Y73-Y78 HydrophobicContact CE2-CD2 3.83Å; Y78-E80 VanDerWaalsContact C-N 3.33Å; Y78-E80 PolarHBondContact O-N 3.22Å; Y78-Y81 HydrophobicContact CD2-CD1 4.38Å; Y78-Y81 HydrophobicContact CE2-CD1 4.28Å; Y78-Y81 CarbonylContact O-C 3.28Å; Y78-Y81 WeakPolarHBondContact O-CA 3.49Å; Y78-Y81 WeakPolarHBondContact O-CB 3.38Å; Y78-Y81 PolarHBondContact O-N 3.19Å; Y78-Y81 VanDerWaalsContact O-N 3.1Å; Y78-M82 HydrophobicContact CD1-CG 3.8Å; Y78-M82 HydrophobicContact CE1-CG 3.41Å; Y78-M82 VanDerWaalsContact CE1-CG 3.41Å; Y78-M82 HydrophobicContact CE1-SD 4.1Å; Y78-M82 HydrophobicContact CE2-CG 4.44Å; Y78-M82 HydrophobicContact CE2-SD 4.48Å; Y78-M82 HydrophobicContact CG-CG 4.48Å; Y78-M82 PolarHBondContact O-N 3.15Å
79	N	83.3	Confident	89.6	Confident	27 Å²	27	53.8 Å²	53.8	14%	0.144	27%	0.271	C	S	.	.	H	α-helix	trans	-62.4	-36.2	178.2	-87.8	-60.8	0	0	0	113.7	H77 Q83 N185	H77-N79 PolarHBondContact O-N 3.18Å; N79-Q83 WeakPolarHBondContact O-CG 3.12Å; N79-Q83 PolarHBondContact O-N 3.19Å; N79-N185 PolarHBondContact ND2-ND2 2.87Å; N79-N185 PolarHBondContact ND2-OD1 2.94Å
80	E	86.8	Confident	89.7	Confident	69 Å²	69	54.7 Å²	54.7	32%	0.322	28%	0.279	S	S	.	.	H	α-helix	trans	-68.5	-38.6	173.6	-64.5	172.1	-153.5	0	0	111.8	R74 H77 Y78 R84	R74-E80 IonicContact CZ-OE2 2.83Å; R74-E80 IonicContact NH2-OE2 2.88Å; R74-E80 PolarHBondContact NH2-OE2 2.94Å; H77-E80 HydrophobicContact CB-CB 4.45Å; H77-E80 IonicContact CE1-OE1 3.78Å; H77-E80 IonicContact CG-OE1 3.83Å; H77-E80 IonicContact ND1-OE1 3.66Å; H77-E80 PolarHBondContact ND1-OE1 2.92Å; H77-E80 IonicContact ND1-OE2 3.29Å; H77-E80 PolarHBondContact O-N 3.49Å; Y78-E80 VanDerWaalsContact C-N 3.33Å; Y78-E80 PolarHBondContact O-N 3.22Å; E80-R84 PolarHBondContact O-N 2.92Å; E80-R84 PolarHBondContact O-NE 2.86Å; E80-R84 VanDerWaalsContact O-NE 3.15Å
81	Y	91.3	Very high	89.8	Confident	28 Å²	28	56.7 Å²	56.7	11%	0.11	29%	0.29	C	S	.	.	H	α-helix	trans	-60.5	-51.3	172.4	172.1	-101.8	0	0	0	111.3	L65 L69 Y73 H77 Y78 Q83 R84 V85	L65-Y81 WeakPolarHBondContact CD1-OH 3.39Å; L69-Y81 WeakPolarHBondContact O-CE2 3.17Å; Y73-Y81 HydrophobicContact CD2-CD1 4.28Å; Y73-Y81 HydrophobicContact CD2-CG 4.12Å; H77-Y81 PolarHBondContact O-N 3.46Å; H77-Y81 VanDerWaalsContact O-N 3.15Å; Y78-Y81 HydrophobicContact CD2-CD1 4.38Å; Y78-Y81 HydrophobicContact CE2-CD1 4.28Å; Y78-Y81 CarbonylContact O-C 3.28Å; Y78-Y81 WeakPolarHBondContact O-CA 3.49Å; Y78-Y81 WeakPolarHBondContact O-CB 3.38Å; Y78-Y81 PolarHBondContact O-N 3.19Å; Y78-Y81 VanDerWaalsContact O-N 3.1Å; Y81-Q83 VanDerWaalsContact C-N 3.29Å; Y81-Q83 PolarHBondContact O-N 2.93Å; Y81-R84 VanDerWaalsContact CA-NH2 3.34Å; Y81-R84 WeakPolarHBondContact O-CA 3.46Å; Y81-R84 WeakPolarHBondContact O-CB 3.42Å; Y81-R84 PolarHBondContact O-N 2.81Å; Y81-V85 HydrophobicContact CD1-CG2 4.28Å; Y81-V85 HydrophobicContact CE1-CG2 3.8Å; Y81-V85 HydrophobicContact CE2-CG2 4.09Å; Y81-V85 PolarHBondContact O-N 3.13Å
82	M	92.2	Very high	89.9	Confident	2 Å²	2	55.1 Å²	55.1	1%	0.01	28%	0.277	C	S	.	.	H	α-helix	trans	-61.6	-35.8	178.8	-71.5	-50.3	-63.5	0	0	113	D53 V56 Y78 R84 V85 L86 L171	D53-M82 HydrophobicContact CB-CE 3.79Å; D53-M82 HydrophobicContact CB-CG 4.33Å; D53-M82 HydrophobicContact CB-SD 4.04Å; V56-M82 HydrophobicContact CG1-CE 3.78Å; Y78-M82 HydrophobicContact CD1-CG 3.8Å; Y78-M82 HydrophobicContact CE1-CG 3.41Å; Y78-M82 VanDerWaalsContact CE1-CG 3.41Å; Y78-M82 HydrophobicContact CE1-SD 4.1Å; Y78-M82 HydrophobicContact CE2-CG 4.44Å; Y78-M82 HydrophobicContact CE2-SD 4.48Å; Y78-M82 HydrophobicContact CG-CG 4.48Å; Y78-M82 PolarHBondContact O-N 3.15Å; M82-R84 VanDerWaalsContact C-N 3.27Å; M82-R84 PolarHBondContact O-N 2.82Å; M82-V85 HydrophobicContact CE-CG1 4.47Å; M82-V85 PolarHBondContact O-N 3.38Å; M82-V85 HydrophobicContact SD-CG2 4.45Å; M82-L86 WeakPolarHBondContact O-CG 3.28Å; M82-L86 PolarHBondContact O-N 3.34Å; M82-L171 HydrophobicContact CB-CD1 4.11Å
83	Q	92	Very high	90	Very high	65 Å²	65	56.3 Å²	56.3	30%	0.304	30%	0.296	S	S	.	.	H	α-helix	trans	-61.4	-33.1	172.9	-82.1	-169.7	77.9	0	0	113.8	N79 Y81 A87 R168 L171	N79-Q83 WeakPolarHBondContact O-CG 3.12Å; N79-Q83 PolarHBondContact O-N 3.19Å; Y81-Q83 VanDerWaalsContact C-N 3.29Å; Y81-Q83 PolarHBondContact O-N 2.93Å; Q83-A87 WeakPolarHBondContact O-CB 3.36Å; Q83-A87 PolarHBondContact O-N 2.86Å; Q83-A87 VanDerWaalsContact O-N 3.11Å; Q83-R168 PolarHBondContact O-NH2 2.77Å; Q83-L171 HydrophobicContact CG-CB 3.94Å; Q83-L171 HydrophobicContact CG-CD1 4.23Å; Q83-L171 HydrophobicContact CG-CG 4.49Å
84	R	94.4	Very high	90.3	Very high	80 Å²	80	51.4 Å²	51.4	30%	0.302	28%	0.278	S	S	.	.	H	α-helix	trans	-74.8	-38.1	174.8	-69.8	172.9	-73	-178.8	9.9	111.4	L69 T72 E80 Y81 M82 A87 Y88	L69-R84 HydrophobicContact CD1-CB 3.78Å; T72-R84 PolarHBondContact O-NH1 3.47Å; T72-R84 PolarHBondContact O-NH2 3.5Å; T72-R84 PolarHBondContact OG1-NH1 2.98Å; T72-R84 PolarHBondContact OG1-NH2 2.95Å; E80-R84 PolarHBondContact O-N 2.92Å; E80-R84 PolarHBondContact O-NE 2.86Å; E80-R84 VanDerWaalsContact O-NE 3.15Å; Y81-R84 VanDerWaalsContact CA-NH2 3.34Å; Y81-R84 WeakPolarHBondContact O-CA 3.46Å; Y81-R84 WeakPolarHBondContact O-CB 3.42Å; Y81-R84 PolarHBondContact O-N 2.81Å; M82-R84 VanDerWaalsContact C-N 3.27Å; M82-R84 PolarHBondContact O-N 2.82Å; R84-A87 WeakPolarHBondContact O-CB 3.31Å; R84-A87 PolarHBondContact O-N 3.28Å; R84-Y88 WeakPolarHBondContact O-CB 3.41Å; R84-Y88 PolarHBondContact O-N 3.19Å
85	V	95.1	Very high	90.8	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-59.8	-50	173.5	175.8	0	0	0	0	111.3	L65 L69 Y81 M82 A87 Y88 M89	L65-V85 HydrophobicContact CD1-CG1 3.97Å; L65-V85 HydrophobicContact CD1-CG2 3.71Å; L65-V85 HydrophobicContact CD2-CG1 3.87Å; L69-V85 HydrophobicContact CD2-CG2 4.24Å; L69-V85 HydrophobicContact CG-CG2 4.36Å; Y81-V85 HydrophobicContact CD1-CG2 4.28Å; Y81-V85 HydrophobicContact CE1-CG2 3.8Å; Y81-V85 HydrophobicContact CE2-CG2 4.09Å; Y81-V85 PolarHBondContact O-N 3.13Å; M82-V85 HydrophobicContact CE-CG1 4.47Å; M82-V85 PolarHBondContact O-N 3.38Å; M82-V85 HydrophobicContact SD-CG2 4.45Å; V85-A87 VanDerWaalsContact C-N 3.31Å; V85-A87 PolarHBondContact O-N 3.42Å; V85-Y88 WeakPolarHBondContact O-CB 3Å; V85-Y88 PolarHBondContact O-N 3.36Å; V85-M89 HydrophobicContact CG1-SD 4.18Å; V85-M89 WeakPolarHBondContact O-CG 3.42Å; V85-M89 PolarHBondContact O-N 3.42Å
86	L	94.9	Very high	91.7	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.016	26%	0.263	C	S	.	.	H	α-helix	trans	-65.9	-33.4	178.5	-65.5	172.2	0	0	0	112.5	M82 M89 A90 L169 L171	M82-L86 WeakPolarHBondContact O-CG 3.28Å; M82-L86 PolarHBondContact O-N 3.34Å; L86-M89 HydrophobicContact CD2-SD 4.28Å; L86-M89 PolarHBondContact O-N 3.34Å; L86-A90 PolarHBondContact O-N 2.93Å; L86-A90 VanDerWaalsContact O-N 3.1Å; L86-L169 HydrophobicContact CD1-CB 4.22Å; L86-L169 HydrophobicContact CD1-CD2 4.1Å; L86-L169 HydrophobicContact CD1-CG 4.18Å; L86-L169 HydrophobicContact CD2-CB 4.29Å; L86-L169 HydrophobicContact CD2-CD2 4.11Å; L86-L171 HydrophobicContact CD1-CD1 3.56Å; L86-L171 HydrophobicContact CD1-CD2 4.3Å; L86-L171 HydrophobicContact CD1-CG 3.7Å
87	A	94.4	Very high	92.8	Very high	27 Å²	27	48.1 Å²	48.1	22%	0.223	26%	0.257	C	S	.	.	H	α-helix	trans	-63.3	-46.5	172.3	0	0	0	0	0	111.9	Q83 R84 V85 M89 A90 E91 R168	Q83-A87 WeakPolarHBondContact O-CB 3.36Å; Q83-A87 PolarHBondContact O-N 2.86Å; Q83-A87 VanDerWaalsContact O-N 3.11Å; R84-A87 WeakPolarHBondContact O-CB 3.31Å; R84-A87 PolarHBondContact O-N 3.28Å; V85-A87 VanDerWaalsContact C-N 3.31Å; V85-A87 PolarHBondContact O-N 3.42Å; A87-M89 VanDerWaalsContact C-N 3.34Å; A87-M89 PolarHBondContact O-N 3.16Å; A87-A90 PolarHBondContact O-N 3.16Å; A87-E91 PolarHBondContact O-N 3.41Å; A87-R168 VanDerWaalsContact CB-CZ 3.46Å
88	Y	95.7	Very high	93.7	Very high	26 Å²	26	46.5 Å²	46.5	10%	0.102	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-43.9	176.6	167.3	-99.2	0	0	0	111.4	L65 P66 W68 L69 R84 V85 A90 E91 K92	L65-Y88 HydrophobicContact CD2-CD1 4.15Å; L65-Y88 HydrophobicContact CD2-CE1 4.28Å; P66-Y88 HydrophobicContact CG-CD2 4.35Å; P66-Y88 HydrophobicContact CG-CE1 4.49Å; P66-Y88 HydrophobicContact CG-CE2 3.81Å; W68-Y88 HydrophobicContact CH2-CD2 4.38Å; W68-Y88 AromaticContact CZ2-CD2 3.96Å; W68-Y88 HydrophobicContact CZ2-CD2 3.96Å; W68-Y88 HydrophobicContact CZ2-CE2 4.32Å; L69-Y88 HydrophobicContact CD2-CD1 3.93Å; L69-Y88 HydrophobicContact CD2-CD2 4.45Å; L69-Y88 HydrophobicContact CD2-CG 3.77Å; R84-Y88 WeakPolarHBondContact O-CB 3.41Å; R84-Y88 PolarHBondContact O-N 3.19Å; V85-Y88 WeakPolarHBondContact O-CB 3Å; V85-Y88 PolarHBondContact O-N 3.36Å; Y88-A90 VanDerWaalsContact C-N 3.32Å; Y88-A90 PolarHBondContact O-N 3.47Å; Y88-E91 WeakPolarHBondContact O-CB 3.09Å; Y88-E91 PolarHBondContact O-N 2.97Å; Y88-K92 HydrophobicContact CD2-CG 4.21Å; Y88-K92 HydrophobicContact CE1-CG 4.18Å; Y88-K92 HydrophobicContact CE2-CD 4.17Å; Y88-K92 HydrophobicContact CE2-CG 3.74Å; Y88-K92 WeakPolarHBondContact O-CG 3.43Å; Y88-K92 PolarHBondContact O-N 2.92Å
89	M	95.9	Very high	94.4	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.01	24%	0.243	C	C	.	.	H	α-helix	trans	-60.4	-42.3	177.4	-69.8	175.8	71.9	0	0	111.9	V56 A59 A60 V85 L86 A87 K92 G93 V94 I99	V56-M89 HydrophobicContact CG2-CE 4.28Å; A59-M89 HydrophobicContact CB-CE 3.55Å; A60-M89 HydrophobicContact CB-CG 4.38Å; V85-M89 HydrophobicContact CG1-SD 4.18Å; V85-M89 WeakPolarHBondContact O-CG 3.42Å; V85-M89 PolarHBondContact O-N 3.42Å; L86-M89 HydrophobicContact CD2-SD 4.28Å; L86-M89 PolarHBondContact O-N 3.34Å; A87-M89 VanDerWaalsContact C-N 3.34Å; A87-M89 PolarHBondContact O-N 3.16Å; M89-K92 PolarHBondContact O-N 3.04Å; M89-G93 PolarHBondContact O-N 3.38Å; M89-V94 HydrophobicContact CB-CB 4.11Å; M89-V94 HydrophobicContact CB-CG2 4.07Å; M89-V94 HydrophobicContact CE-CB 4.46Å; M89-V94 HydrophobicContact CE-CG1 3.87Å; M89-V94 HydrophobicContact CG-CG2 4.5Å; M89-V94 WeakPolarHBondContact O-CB 3.26Å; M89-V94 WeakPolarHBondContact O-CG2 3.37Å; M89-V94 PolarHBondContact O-N 2.97Å; M89-I99 HydrophobicContact CE-CD1 4.11Å; M89-I99 HydrophobicContact CE-CG1 3.83Å
90	A	95.9	Very high	95.2	Very high	22 Å²	22	46.5 Å²	46.5	18%	0.182	25%	0.252	C	S	.	.	H	α-helix	trans	-63.5	-44.3	175.3	0	0	0	0	0	112.1	L86 A87 Y88 K92 G93 R168	L86-A90 PolarHBondContact O-N 2.93Å; L86-A90 VanDerWaalsContact O-N 3.1Å; A87-A90 PolarHBondContact O-N 3.16Å; Y88-A90 VanDerWaalsContact C-N 3.32Å; Y88-A90 PolarHBondContact O-N 3.47Å; A90-K92 PolarHBondContact O-N 3.22Å; A90-G93 PolarHBondContact O-N 3.21Å; A90-R168 HydrophobicContact CB-CB 3.58Å; A90-R168 HydrophobicContact CB-CG 4.07Å
91	E	95.8	Very high	95.7	Very high	133 Å²	133	45.4 Å²	45.4	62%	0.621	25%	0.252	S	S	*	.	H	α-helix	trans	-58.8	-34.9	176.2	-169.2	-155.6	126.8	0	0	112.1	A87 Y88 G93	A87-E91 PolarHBondContact O-N 3.41Å; Y88-E91 WeakPolarHBondContact O-CB 3.09Å; Y88-E91 PolarHBondContact O-N 2.97Å; E91-G93 PolarHBondContact O-N 3.18Å
92	K	96.3	Very high	96	Very high	98 Å²	98	45 Å²	45	43%	0.426	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	7.8	175.8	-58.3	-52.8	176.5	-149.7	0	114.2	P61 Y88 M89 A90 V94	P61-K92 HydrophobicContact CG-CB 3.49Å; P61-K92 VanDerWaalsContact CG-CB 3.49Å; P61-K92 HydrophobicContact CG-CG 3.93Å; Y88-K92 HydrophobicContact CD2-CG 4.21Å; Y88-K92 HydrophobicContact CE1-CG 4.18Å; Y88-K92 HydrophobicContact CE2-CD 4.17Å; Y88-K92 HydrophobicContact CE2-CG 3.74Å; Y88-K92 WeakPolarHBondContact O-CG 3.43Å; Y88-K92 PolarHBondContact O-N 2.92Å; M89-K92 PolarHBondContact O-N 3.04Å; A90-K92 PolarHBondContact O-N 3.22Å; K92-V94 VanDerWaalsContact C-N 3.3Å; K92-V94 PolarHBondContact O-N 2.97Å
93	G	95.7	Very high	96.3	Very high	60 Å²	60	44.9 Å²	44.9	62%	0.619	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	25.6	176.2	0	0	0	0	0	113.8	M89 A90 E91 P95	M89-G93 PolarHBondContact O-N 3.38Å; A90-G93 PolarHBondContact O-N 3.21Å; E91-G93 PolarHBondContact O-N 3.18Å; G93-P95 VanDerWaalsContact O-CD 3.31Å; G93-P95 WeakPolarHBondContact O-CD 3.48Å
94	V	97.1	Very high	96.6	Very high	14 Å²	14	44.7 Å²	44.7	9%	0.085	25%	0.251	C	S	.	.			trans	-66	117.9	174.3	178.9	0	0	0	0	108.5	A59 P61 M89 K92 A98 I99	A59-V94 HydrophobicContact CB-CG1 4.21Å; A59-V94 VanDerWaalsContact O-CG1 3.31Å; A59-V94 WeakPolarHBondContact O-CG1 3.3Å; A59-V94 WeakPolarHBondContact O-CG2 3.42Å; P61-V94 HydrophobicContact CG-CG2 4.37Å; M89-V94 HydrophobicContact CB-CB 4.11Å; M89-V94 HydrophobicContact CB-CG2 4.07Å; M89-V94 HydrophobicContact CE-CB 4.46Å; M89-V94 HydrophobicContact CE-CG1 3.87Å; M89-V94 HydrophobicContact CG-CG2 4.5Å; M89-V94 WeakPolarHBondContact O-CB 3.26Å; M89-V94 WeakPolarHBondContact O-CG2 3.37Å; M89-V94 PolarHBondContact O-N 2.97Å; K92-V94 VanDerWaalsContact C-N 3.3Å; K92-V94 PolarHBondContact O-N 2.97Å; V94-A98 HydrophobicContact CG1-CB 4.02Å; V94-I99 HydrophobicContact CG1-CG1 3.97Å
95	P	96.3	Very high	96.8	Very high	71 Å²	71	48 Å²	48	46%	0.461	27%	0.268	S	S	.	.			trans	-75.6	152.7	-176.8	31	-34.6	0	0	0	111.2	G93 S97 A98 I99	G93-P95 VanDerWaalsContact O-CD 3.31Å; G93-P95 WeakPolarHBondContact O-CD 3.48Å; P95-S97 PolarHBondContact O-N 3.19Å; P95-S97 VanDerWaalsContact O-N 3.09Å; P95-A98 HydrophobicContact CG-CB 3.84Å; P95-A98 WeakPolarHBondContact O-CB 3.29Å; P95-A98 PolarHBondContact O-N 3.42Å; P95-I99 PolarHBondContact O-N 3.25Å
96	E	97.2	Very high	97	Very high	75 Å²	75	48.4 Å²	48.4	35%	0.35	27%	0.269	S	S	.	.	H	α-helix	trans	-48.5	-39.3	173.5	170.5	173.8	174.4	0	0	112.5	A98 I99 R100 F138 F163	E96-A98 VanDerWaalsContact C-N 3.31Å; E96-A98 PolarHBondContact O-N 2.63Å; E96-I99 PolarHBondContact O-N 2.89Å; E96-R100 WeakPolarHBondContact O-CB 3.27Å; E96-R100 PolarHBondContact O-N 3.02Å; E96-R100 IonicContact OE1-CZ 2.97Å; E96-R100 IonicContact OE1-NH2 3.52Å; E96-R100 PolarHBondContact OE1-NH2 2.96Å; E96-F138 HydrophobicContact CG-CE2 4.01Å; E96-F138 HydrophobicContact CG-CZ 3.75Å; E96-F138 WeakPolarHBondContact OE1-CE2 3.44Å; E96-F163 HydrophobicContact CB-CD1 4.29Å; E96-F163 HydrophobicContact CB-CD2 4.38Å; E96-F163 HydrophobicContact CB-CE1 3.8Å; E96-F163 HydrophobicContact CB-CE2 3.92Å; E96-F163 HydrophobicContact CB-CZ 3.6Å; E96-F163 VanDerWaalsContact CD-CE2 3.43Å; E96-F163 HydrophobicContact CG-CD2 3.95Å; E96-F163 HydrophobicContact CG-CE1 4.21Å; E96-F163 HydrophobicContact CG-CE2 3.37Å; E96-F163 HydrophobicContact CG-CZ 3.52Å
97	S	97.4	Very high	97.2	Very high	76 Å²	76	51 Å²	51	53%	0.531	29%	0.286	S	S	.	.	H	α-helix	trans	-64.3	-32	179.6	56.4	0	0	0	0	113.5	P95 S101	P95-S97 PolarHBondContact O-N 3.19Å; P95-S97 VanDerWaalsContact O-N 3.09Å; S97-S101 VanDerWaalsContact O-CB 3.3Å; S97-S101 WeakPolarHBondContact O-CB 3.36Å; S97-S101 PolarHBondContact O-N 3.46Å
98	A	97.9	Very high	97.4	Very high	31 Å²	31	51 Å²	51	26%	0.256	29%	0.287	S	S	.	.	H	α-helix	trans	-70.6	-45.3	176.4	0	0	0	0	0	110.8	V94 P95 E96 R100 S101 V102	V94-A98 HydrophobicContact CG1-CB 4.02Å; P95-A98 HydrophobicContact CG-CB 3.84Å; P95-A98 WeakPolarHBondContact O-CB 3.29Å; P95-A98 PolarHBondContact O-N 3.42Å; E96-A98 VanDerWaalsContact C-N 3.31Å; E96-A98 PolarHBondContact O-N 2.63Å; A98-R100 PolarHBondContact O-N 2.9Å; A98-S101 PolarHBondContact O-N 2.87Å; A98-V102 PolarHBondContact O-N 2.93Å; A98-V102 VanDerWaalsContact O-N 3.12Å
99	I	98	Very high	97.5	Very high	5 Å²	5	49.9 Å²	49.9	3%	0.026	28%	0.283	C	S	.	.	H	α-helix	trans	-57.5	-51.2	174	-58.2	-179.7	0	0	0	109.4	V56 A59 M89 V94 P95 E96 S101 V102 I103 F138 F139 F163	V56-I99 HydrophobicContact CG2-CG2 3.68Å; A59-I99 HydrophobicContact CB-CG1 4.35Å; M89-I99 HydrophobicContact CE-CD1 4.11Å; M89-I99 HydrophobicContact CE-CG1 3.83Å; V94-I99 HydrophobicContact CG1-CG1 3.97Å; P95-I99 PolarHBondContact O-N 3.25Å; E96-I99 PolarHBondContact O-N 2.89Å; I99-S101 VanDerWaalsContact C-N 3.34Å; I99-S101 PolarHBondContact O-N 3.39Å; I99-V102 PolarHBondContact O-N 3.09Å; I99-I103 WeakPolarHBondContact O-CG1 3.45Å; I99-I103 PolarHBondContact O-N 3.25Å; I99-I103 VanDerWaalsContact O-N 3.07Å; I99-F138 HydrophobicContact CB-CE1 4.25Å; I99-F138 HydrophobicContact CG2-CD1 4.33Å; I99-F138 HydrophobicContact CG2-CE1 3.7Å; I99-F139 HydrophobicContact CG2-CE1 3.82Å; I99-F163 HydrophobicContact CD1-CE1 4.18Å; I99-F163 HydrophobicContact CD1-CZ 4.12Å
100	R	98.4	Very high	97.7	Very high	90 Å²	90	52.9 Å²	52.9	34%	0.34	30%	0.303	S	S	.	.	H	α-helix	trans	-56.4	-47.4	178	-166.2	-177.8	-59.5	145.8	0.3	112	E96 A98 V102 I103 E104 F138	E96-R100 WeakPolarHBondContact O-CB 3.27Å; E96-R100 PolarHBondContact O-N 3.02Å; E96-R100 IonicContact OE1-CZ 2.97Å; E96-R100 IonicContact OE1-NH2 3.52Å; E96-R100 PolarHBondContact OE1-NH2 2.96Å; A98-R100 PolarHBondContact O-N 2.9Å; R100-V102 VanDerWaalsContact C-N 3.28Å; R100-V102 PolarHBondContact O-N 3.26Å; R100-I103 PolarHBondContact O-N 3.03Å; R100-E104 VanDerWaalsContact CD-OE1 3.29Å; R100-E104 WeakPolarHBondContact CD-OE1 3.49Å; R100-E104 HydrophobicContact CG-CG 4.07Å; R100-E104 WeakPolarHBondContact CG-OE1 3.41Å; R100-E104 WeakPolarHBondContact O-CB 3.37Å; R100-E104 VanDerWaalsContact O-CG 3.29Å; R100-E104 WeakPolarHBondContact O-CG 3.48Å; R100-E104 PolarHBondContact O-N 2.98Å; R100-F138 HydrophobicContact CB-CZ 3.96Å; R100-F138 HydrophobicContact CG-CZ 4.39Å
101	S	98.2	Very high	97.8	Very high	46 Å²	46	53 Å²	53	32%	0.322	31%	0.305	S	S	.	.	H	α-helix	trans	-61.3	-37	-177.3	-173.2	0	0	0	0	112.7	S97 A98 I99 K105	S97-S101 VanDerWaalsContact O-CB 3.3Å; S97-S101 WeakPolarHBondContact O-CB 3.36Å; S97-S101 PolarHBondContact O-N 3.46Å; A98-S101 PolarHBondContact O-N 2.87Å; I99-S101 VanDerWaalsContact C-N 3.34Å; I99-S101 PolarHBondContact O-N 3.39Å; S101-K105 VanDerWaalsContact O-CD 3.31Å; S101-K105 WeakPolarHBondContact O-CD 3.46Å; S101-K105 VanDerWaalsContact O-CG 3.23Å; S101-K105 WeakPolarHBondContact O-CG 3.4Å; S101-K105 PolarHBondContact O-N 3.36Å; S101-K105 PolarHBondContact OG-NZ 3.18Å
102	V	98.2	Very high	97.9	Very high	19 Å²	19	46.6 Å²	46.6	12%	0.115	28%	0.276	C	S	.	.	H	α-helix	trans	-68.6	-48.3	176.4	164.1	0	0	0	0	110.6	V55 Q58 A59 A98 I99 R100 E104 K105	V55-V102 HydrophobicContact CG1-CG1 3.45Å; V55-V102 VanDerWaalsContact CG1-CG1 3.45Å; V55-V102 WeakPolarHBondContact O-CG1 3.4Å; Q58-V102 HydrophobicContact CB-CG1 4.04Å; Q58-V102 HydrophobicContact CB-CG2 4.25Å; A59-V102 HydrophobicContact CB-CB 4.36Å; A59-V102 HydrophobicContact CB-CG2 3.92Å; A98-V102 PolarHBondContact O-N 2.93Å; A98-V102 VanDerWaalsContact O-N 3.12Å; I99-V102 PolarHBondContact O-N 3.09Å; R100-V102 VanDerWaalsContact C-N 3.28Å; R100-V102 PolarHBondContact O-N 3.26Å; V102-E104 PolarHBondContact O-N 3.18Å; V102-K105 PolarHBondContact O-N 3.05Å
103	I	98.5	Very high	98	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-45.5	177.8	-62.9	-59.4	0	0	0	111.7	V56 I99 R100 K105 I106 F139 W143	V56-I103 HydrophobicContact CB-CD1 4.23Å; V56-I103 HydrophobicContact CG2-CD1 4.44Å; I99-I103 WeakPolarHBondContact O-CG1 3.45Å; I99-I103 PolarHBondContact O-N 3.25Å; I99-I103 VanDerWaalsContact O-N 3.07Å; R100-I103 PolarHBondContact O-N 3.03Å; I103-K105 PolarHBondContact O-N 3.18Å; I103-K105 VanDerWaalsContact O-N 3.08Å; I103-I106 HydrophobicContact CD1-CD1 3.97Å; I103-I106 HydrophobicContact CG2-CD1 4.24Å; I103-I106 VanDerWaalsContact O-CG1 3.23Å; I103-I106 WeakPolarHBondContact O-CG1 3.39Å; I103-I106 PolarHBondContact O-N 3.23Å; I103-I106 VanDerWaalsContact O-N 3.11Å; I103-F139 HydrophobicContact CD1-CB 4.32Å; I103-F139 HydrophobicContact CD1-CD1 3.85Å; I103-F139 HydrophobicContact CD1-CD2 3.88Å; I103-F139 HydrophobicContact CD1-CE1 4.14Å; I103-F139 HydrophobicContact CD1-CE2 4.15Å; I103-F139 HydrophobicContact CD1-CG 3.75Å; I103-F139 HydrophobicContact CD1-CZ 4.3Å; I103-F139 HydrophobicContact CG1-CB 4.43Å; I103-F139 HydrophobicContact CG1-CD1 3.67Å; I103-F139 HydrophobicContact CG1-CE1 4.08Å; I103-F139 HydrophobicContact CG1-CG 3.98Å; I103-F139 HydrophobicContact CG2-CB 4.07Å; I103-F139 WeakPolarHBondContact CG2-O 3.22Å; I103-W143 HydrophobicContact CG2-CB 4.23Å
104	E	98.6	Very high	98.1	Very high	60 Å²	60	44.7 Å²	44.7	28%	0.28	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-15.6	-179.3	-77.7	-176	178.9	0	0	114.4	R100 V102 R146	R100-E104 VanDerWaalsContact CD-OE1 3.29Å; R100-E104 WeakPolarHBondContact CD-OE1 3.49Å; R100-E104 HydrophobicContact CG-CG 4.07Å; R100-E104 WeakPolarHBondContact CG-OE1 3.41Å; R100-E104 WeakPolarHBondContact O-CB 3.37Å; R100-E104 VanDerWaalsContact O-CG 3.29Å; R100-E104 WeakPolarHBondContact O-CG 3.48Å; R100-E104 PolarHBondContact O-N 2.98Å; V102-E104 PolarHBondContact O-N 3.18Å; E104-R146 HydrophobicContact CB-CB 4.23Å; E104-R146 HydrophobicContact CB-CG 3.87Å; E104-R146 HydrophobicContact CG-CB 3.78Å; E104-R146 HydrophobicContact CG-CG 3.95Å
105	K	98.4	Very high	98.2	Very high	151 Å²	151	44 Å²	44	66%	0.657	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	-8.7	178.6	-73.9	169.8	-174.6	167	0	113.6	S101 V102 I103	S101-K105 VanDerWaalsContact O-CD 3.31Å; S101-K105 WeakPolarHBondContact O-CD 3.46Å; S101-K105 VanDerWaalsContact O-CG 3.23Å; S101-K105 WeakPolarHBondContact O-CG 3.4Å; S101-K105 PolarHBondContact O-N 3.36Å; S101-K105 PolarHBondContact OG-NZ 3.18Å; V102-K105 PolarHBondContact O-N 3.05Å; I103-K105 PolarHBondContact O-N 3.18Å; I103-K105 VanDerWaalsContact O-N 3.08Å
106	I	98.6	Very high	98.3	Very high	7 Å²	7	40.8 Å²	40.8	4%	0.036	24%	0.235	C	C	.	.	S	Bend	trans	-58.6	125.8	178.8	-57	167.4	0	0	0	108.5	V48 E50 V55 I103 W143	V48-I106 HydrophobicContact CB-CB 4.48Å; V48-I106 HydrophobicContact CB-CG2 3.65Å; V48-I106 HydrophobicContact CG1-CB 4.35Å; V48-I106 HydrophobicContact CG1-CG2 4.04Å; V48-I106 HydrophobicContact CG2-CG2 4.31Å; E50-I106 HydrophobicContact CB-CG2 4.01Å; V55-I106 HydrophobicContact CB-CD1 4.13Å; V55-I106 HydrophobicContact CB-CG1 4.08Å; V55-I106 HydrophobicContact CG1-CD1 4.1Å; V55-I106 HydrophobicContact CG1-CG1 3.65Å; V55-I106 HydrophobicContact CG2-CD1 4.48Å; V55-I106 HydrophobicContact CG2-CG1 4.19Å; I103-I106 HydrophobicContact CD1-CD1 3.97Å; I103-I106 HydrophobicContact CG2-CD1 4.24Å; I103-I106 VanDerWaalsContact O-CG1 3.23Å; I103-I106 WeakPolarHBondContact O-CG1 3.39Å; I103-I106 PolarHBondContact O-N 3.23Å; I103-I106 VanDerWaalsContact O-N 3.11Å; I106-W143 PolarHBondContact O-NE1 2.96Å
107	P	98.5	Very high	98.4	Very high	57 Å²	57	42.4 Å²	42.4	37%	0.37	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-63.7	143.8	177.9	24.8	-32	0	0	0	110.8	N49 E50	N49-P107 HydrophobicContact CB-CG 4.2Å; N49-P107 PolarHBondContact N-O 3.43Å; E50-P107 WeakPolarHBondContact OE1-CD 3.47Å; E50-P107 WeakPolarHBondContact OE1-CG 3.3Å
108	A	98.8	Very high	98.4	Very high	29 Å²	29	40.3 Å²	40.3	24%	0.24	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-65.4	148.6	167.1	0	0	0	0	0	109.8	M112 L113 W143	A108-M112 HydrophobicContact CB-CB 4.42Å; A108-L113 HydrophobicContact CB-CD1 4.33Å; A108-L113 HydrophobicContact CB-CD2 4.15Å; A108-L113 HydrophobicContact CB-CG 3.86Å; A108-W143 HydrophobicContact CB-CH2 3.98Å; A108-W143 HydrophobicContact CB-CZ2 3.77Å
109	S	98.6	Very high	98.4	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.014	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-55.6	147.4	167.7	-66.5	0	0	0	0	110.6	T46 I47 V48 G111 M112	T46-S109 WeakPolarHBondContact O-CB 3.5Å; T46-S109 PolarHBondContact O-OG 3.28Å; I47-S109 PolarHBondContact O-N 3.49Å; V48-S109 PolarHBondContact O-OG 2.75Å; S109-G111 PolarHBondContact O-N 3.08Å; S109-M112 WeakPolarHBondContact O-CB 3.18Å; S109-M112 PolarHBondContact O-N 3.13Å
110	P	98.6	Very high	98.2	Very high	65 Å²	65	44.5 Å²	44.5	42%	0.422	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.4	133.3	179	-28.3	35.3	0	0	0	111.6	M112 S264 G265	P110-M112 PolarHBondContact O-N 3.01Å; P110-S264 CarbonylContact O-C 3.57Å; P110-S264 WeakPolarHBondContact O-CA 3.5Å; P110-S264 PolarHBondContact O-OG 3.29Å; P110-G265 PolarHBondContact O-N 3.26Å
111	G	98.6	Very high	98.1	Very high	23 Å²	23	47.9 Å²	47.9	24%	0.237	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	67.2	-4.4	-179.8	0	0	0	0	0	116.7	S109 L113 A114 L115 S264	S109-G111 PolarHBondContact O-N 3.08Å; G111-L113 PolarHBondContact O-N 2.97Å; G111-A114 WeakPolarHBondContact O-CB 3.43Å; G111-A114 PolarHBondContact O-N 2.99Å; G111-A114 VanDerWaalsContact O-N 3.1Å; G111-L115 PolarHBondContact O-N 2.8Å; G111-S264 WeakPolarHBondContact CA-OG 3.39Å; G111-S264 PolarHBondContact N-OG 3.49Å
112	M	98.7	Very high	97.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-63.8	-39.7	-174.7	-175.2	58.4	56.2	0	0	113	F41 T46 I47 A108 S109 P110 A114 L115 F116 W262	F41-M112 HydrophobicContact CD1-SD 4.3Å; F41-M112 HydrophobicContact CE1-CE 4.33Å; F41-M112 HydrophobicContact CE1-SD 3.93Å; T46-M112 VanDerWaalsContact O-CE 3.24Å; T46-M112 WeakPolarHBondContact O-CE 3.36Å; I47-M112 HydrophobicContact CG1-SD 4.32Å; I47-M112 HydrophobicContact CG2-CG 4.33Å; A108-M112 HydrophobicContact CB-CB 4.42Å; S109-M112 WeakPolarHBondContact O-CB 3.18Å; S109-M112 PolarHBondContact O-N 3.13Å; P110-M112 PolarHBondContact O-N 3.01Å; M112-A114 VanDerWaalsContact C-N 3.29Å; M112-A114 PolarHBondContact O-N 3.49Å; M112-L115 HydrophobicContact CE-CD2 4.29Å; M112-L115 WeakPolarHBondContact O-CB 3.29Å; M112-L115 PolarHBondContact O-N 3.09Å; M112-L115 HydrophobicContact SD-CD2 3.92Å; M112-F116 HydrophobicContact CG-CE1 4.15Å; M112-F116 HydrophobicContact CG-CE2 4.21Å; M112-F116 HydrophobicContact CG-CZ 3.91Å; M112-F116 PolarHBondContact O-N 3.05Å; M112-F116 HydrophobicContact SD-CD1 4.25Å; M112-F116 HydrophobicContact SD-CE1 3.67Å; M112-F116 HydrophobicContact SD-CZ 3.97Å; M112-W262 HydrophobicContact CE-CH2 4.31Å; M112-W262 HydrophobicContact CE-CZ3 4.47Å
113	L	98.5	Very high	97.5	Very high	77 Å²	77	50.2 Å²	50.2	40%	0.403	26%	0.26	S	S	.	.	H	α-helix	trans	-66.1	-33.7	176	-62	-176.4	0	0	0	112	A108 G111 F116 Q117 W143 V147	A108-L113 HydrophobicContact CB-CD1 4.33Å; A108-L113 HydrophobicContact CB-CD2 4.15Å; A108-L113 HydrophobicContact CB-CG 3.86Å; G111-L113 PolarHBondContact O-N 2.97Å; L113-F116 HydrophobicContact CD2-CD2 4.19Å; L113-F116 PolarHBondContact O-N 3Å; L113-Q117 WeakPolarHBondContact O-CG 3.26Å; L113-Q117 PolarHBondContact O-N 3.09Å; L113-W143 HydrophobicContact CD2-CH2 4.15Å; L113-V147 HydrophobicContact CD2-CB 4.38Å; L113-V147 HydrophobicContact CD2-CG2 4.43Å
114	A	98.3	Very high	96.9	Very high	40 Å²	40	54.5 Å²	54.5	33%	0.331	29%	0.288	S	S	.	.	H	α-helix	trans	-67.9	-38.8	173.4	0	0	0	0	0	111.1	G111 M112 Q117 F118	G111-A114 WeakPolarHBondContact O-CB 3.43Å; G111-A114 PolarHBondContact O-N 2.99Å; G111-A114 VanDerWaalsContact O-N 3.1Å; M112-A114 VanDerWaalsContact C-N 3.29Å; M112-A114 PolarHBondContact O-N 3.49Å; A114-Q117 WeakPolarHBondContact O-CB 3.45Å; A114-Q117 PolarHBondContact O-N 3Å; A114-F118 WeakPolarHBondContact O-CB 3.4Å; A114-F118 PolarHBondContact O-N 3.22Å
115	L	98.7	Very high	96.5	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.2	-43.8	171.7	174.1	58.9	0	0	0	112.2	F41 G111 M112 Q117 F118 L119 V268 V269 L272	F41-L115 HydrophobicContact CE1-CD2 3.6Å; F41-L115 HydrophobicContact CZ-CD2 3.71Å; F41-L115 HydrophobicContact CZ-CG 4.23Å; G111-L115 PolarHBondContact O-N 2.8Å; M112-L115 HydrophobicContact CE-CD2 4.29Å; M112-L115 WeakPolarHBondContact O-CB 3.29Å; M112-L115 PolarHBondContact O-N 3.09Å; M112-L115 HydrophobicContact SD-CD2 3.92Å; L115-Q117 VanDerWaalsContact C-N 3.34Å; L115-Q117 PolarHBondContact O-N 3.41Å; L115-F118 HydrophobicContact CD1-CD1 4.32Å; L115-F118 WeakPolarHBondContact O-CB 3.34Å; L115-F118 PolarHBondContact O-N 3.27Å; L115-L119 HydrophobicContact CD1-CD1 4.25Å; L115-L119 HydrophobicContact CD1-CG 4.18Å; L115-L119 HydrophobicContact CG-CD1 4.31Å; L115-L119 WeakPolarHBondContact O-CG 3.39Å; L115-L119 PolarHBondContact O-N 3.45Å; L115-V268 HydrophobicContact CD1-CB 4.36Å; L115-V268 HydrophobicContact CD1-CG1 4.04Å; L115-V268 HydrophobicContact CD2-CB 3.88Å; L115-V268 HydrophobicContact CD2-CG1 3.79Å; L115-V268 HydrophobicContact CD2-CG2 4.37Å; L115-V269 HydrophobicContact CB-CG2 3.85Å; L115-V269 HydrophobicContact CD1-CG2 3.51Å; L115-V269 HydrophobicContact CG-CG2 4.27Å; L115-L272 HydrophobicContact CD1-CD1 3.88Å
116	F	98.6	Very high	96.2	Very high	3 Å²	3	48.7 Å²	48.7	1%	0.013	26%	0.263	C	S	.	.	H	α-helix	trans	-62.3	-41.5	174.1	-69.3	-12.3	0	0	0	112.4	F41 I47 M112 L113 L119 R120 W143 A149 L152 F153	F41-F116 HydrophobicContact CZ-CE1 4.46Å; I47-F116 HydrophobicContact CB-CZ 4.44Å; I47-F116 HydrophobicContact CD1-CZ 4Å; I47-F116 HydrophobicContact CG1-CE1 4.44Å; I47-F116 HydrophobicContact CG1-CZ 3.87Å; I47-F116 HydrophobicContact CG2-CE2 4.11Å; I47-F116 HydrophobicContact CG2-CZ 3.77Å; M112-F116 HydrophobicContact CG-CE1 4.15Å; M112-F116 HydrophobicContact CG-CE2 4.21Å; M112-F116 HydrophobicContact CG-CZ 3.91Å; M112-F116 PolarHBondContact O-N 3.05Å; M112-F116 HydrophobicContact SD-CD1 4.25Å; M112-F116 HydrophobicContact SD-CE1 3.67Å; M112-F116 HydrophobicContact SD-CZ 3.97Å; L113-F116 HydrophobicContact CD2-CD2 4.19Å; L113-F116 PolarHBondContact O-N 3Å; F116-L119 PolarHBondContact O-N 2.8Å; F116-R120 WeakPolarHBondContact O-CG 3.24Å; F116-R120 PolarHBondContact O-N 3.25Å; F116-W143 HydrophobicContact CE2-CH2 4.47Å; F116-W143 HydrophobicContact CE2-CZ3 4.14Å; F116-A149 HydrophobicContact CD2-CB 3.67Å; F116-A149 HydrophobicContact CE2-CB 3.78Å; F116-L152 HydrophobicContact CB-CD2 3.86Å; F116-L152 HydrophobicContact CD1-CD2 3.6Å; F116-L152 HydrophobicContact CE1-CD2 4.31Å; F116-L152 HydrophobicContact CG-CD2 3.8Å; F116-F153 HydrophobicContact CE1-CE2 4.33Å; F116-F153 AromaticContact CE1-CZ 3.77Å; F116-F153 HydrophobicContact CE1-CZ 3.77Å; F116-F153 HydrophobicContact CE2-CE2 4.44Å; F116-F153 HydrophobicContact CZ-CE2 4.03Å; F116-F153 AromaticContact CZ-CZ 3.67Å; F116-F153 HydrophobicContact CZ-CZ 3.67Å
117	Q	97.9	Very high	96.1	Very high	109 Å²	109	49 Å²	49	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-61.3	-45.6	173.8	-72.5	173.9	9.8	0	0	110.9	L113 A114 L115 L119 R120 H121	L113-Q117 WeakPolarHBondContact O-CG 3.26Å; L113-Q117 PolarHBondContact O-N 3.09Å; A114-Q117 WeakPolarHBondContact O-CB 3.45Å; A114-Q117 PolarHBondContact O-N 3Å; L115-Q117 VanDerWaalsContact C-N 3.34Å; L115-Q117 PolarHBondContact O-N 3.41Å; Q117-L119 PolarHBondContact O-N 3.37Å; Q117-R120 PolarHBondContact O-N 3.21Å; Q117-H121 PolarHBondContact O-N 2.78Å; Q117-H121 PolarHBondContact O-ND1 3.26Å
118	F	97.7	Very high	96	Very high	32 Å²	32	46.3 Å²	46.3	14%	0.14	25%	0.247	C	C	.	.	H	α-helix	trans	-55.1	-51.5	175.6	169.4	-99	0	0	0	111.4	A114 L115 R120 H121 R122 V269 L272 R273	A114-F118 WeakPolarHBondContact O-CB 3.4Å; A114-F118 PolarHBondContact O-N 3.22Å; L115-F118 HydrophobicContact CD1-CD1 4.32Å; L115-F118 WeakPolarHBondContact O-CB 3.34Å; L115-F118 PolarHBondContact O-N 3.27Å; F118-R120 VanDerWaalsContact C-N 3.3Å; F118-R120 PolarHBondContact O-N 3Å; F118-H121 PolarHBondContact O-N 3.04Å; F118-H121 VanDerWaalsContact O-N 3.15Å; F118-R122 HydrophobicContact CE1-CG 4.23Å; F118-R122 HydrophobicContact CZ-CG 4.24Å; F118-R122 WeakPolarHBondContact O-CG 3.4Å; F118-R122 PolarHBondContact O-N 3.41Å; F118-V269 HydrophobicContact CB-CG1 4.25Å; F118-V269 HydrophobicContact CB-CG2 3.91Å; F118-V269 HydrophobicContact CD1-CG1 4.23Å; F118-V269 HydrophobicContact CD1-CG2 4.15Å; F118-V269 HydrophobicContact CD2-CG1 3.77Å; F118-V269 HydrophobicContact CE2-CG1 4.13Å; F118-V269 HydrophobicContact CG-CG1 3.81Å; F118-V269 HydrophobicContact CG-CG2 4.04Å; F118-L272 HydrophobicContact CD1-CD1 4.47Å; F118-L272 HydrophobicContact CE1-CB 3.78Å; F118-L272 HydrophobicContact CE1-CD1 4.07Å; F118-L272 HydrophobicContact CZ-CB 4.23Å; F118-R273 HydrophobicContact CE2-CG 3.56Å; F118-R273 HydrophobicContact CZ-CG 3.78Å
119	L	97.2	Very high	96	Very high	10 Å²	10	45.1 Å²	45.1	5%	0.052	24%	0.236	C	C	.	.	H	α-helix	trans	-59.8	-38.2	-179.7	-69.3	170.7	0	0	0	112.6	I39 F41 L115 F116 Q117 H121 R122 F127 V129 L152 L272	I39-L119 HydrophobicContact CG2-CD1 4.43Å; I39-L119 HydrophobicContact CG2-CD2 4.28Å; F41-L119 HydrophobicContact CE2-CD1 3.89Å; F41-L119 HydrophobicContact CZ-CD1 3.9Å; L115-L119 HydrophobicContact CD1-CD1 4.25Å; L115-L119 HydrophobicContact CD1-CG 4.18Å; L115-L119 HydrophobicContact CG-CD1 4.31Å; L115-L119 WeakPolarHBondContact O-CG 3.39Å; L115-L119 PolarHBondContact O-N 3.45Å; F116-L119 PolarHBondContact O-N 2.8Å; Q117-L119 PolarHBondContact O-N 3.37Å; L119-H121 VanDerWaalsContact C-N 3.35Å; L119-H121 PolarHBondContact O-N 3.45Å; L119-R122 PolarHBondContact O-N 3.36Å; L119-F127 HydrophobicContact CD2-CB 4.15Å; L119-F127 HydrophobicContact CD2-CD1 4.14Å; L119-F127 HydrophobicContact CD2-CD2 3.89Å; L119-F127 HydrophobicContact CD2-CE2 4.36Å; L119-F127 HydrophobicContact CD2-CG 3.78Å; L119-V129 HydrophobicContact CD1-CG1 4.47Å; L119-V129 HydrophobicContact CD1-CG2 4.2Å; L119-L152 HydrophobicContact CB-CD1 4.02Å; L119-L152 HydrophobicContact CB-CD2 4.36Å; L119-L152 HydrophobicContact CD1-CD2 4.25Å; L119-L272 HydrophobicContact CD2-CD1 4.08Å
120	R	95.6	Very high	96	Very high	115 Å²	115	45 Å²	45	43%	0.434	24%	0.236	S	C	.	.	H	α-helix	trans	-66.6	-32.7	177.1	-73.9	177.4	-175.3	159.6	-1	114	F116 Q117 F118 R122 G148 L152	F116-R120 WeakPolarHBondContact O-CG 3.24Å; F116-R120 PolarHBondContact O-N 3.25Å; Q117-R120 PolarHBondContact O-N 3.21Å; F118-R120 VanDerWaalsContact C-N 3.3Å; F118-R120 PolarHBondContact O-N 3Å; R120-R122 VanDerWaalsContact C-N 3.31Å; R120-G148 PolarHBondContact NH2-O 3.17Å; R120-L152 HydrophobicContact CG-CD1 3.96Å
121	H	94.7	Very high	96	Very high	160 Å²	160	42 Å²	42	74%	0.741	22%	0.216	S	C	*	.	H	α-helix	trans	-87.1	-2.1	-178.6	-67.5	96.9	0	0	0	113	Q117 F118 L119	Q117-H121 PolarHBondContact O-N 2.78Å; Q117-H121 PolarHBondContact O-ND1 3.26Å; F118-H121 PolarHBondContact O-N 3.04Å; F118-H121 VanDerWaalsContact O-N 3.15Å; L119-H121 VanDerWaalsContact C-N 3.35Å; L119-H121 PolarHBondContact O-N 3.45Å
122	R	93.1	Very high	96	Very high	60 Å²	60	41 Å²	41	23%	0.226	21%	0.205	C	C	.	.	S	Bend	trans	-71.7	152.5	172.7	-68.1	-53.3	-53	177.3	1.2	111.2	F118 L119 R120 D126 F127	F118-R122 HydrophobicContact CE1-CG 4.23Å; F118-R122 HydrophobicContact CZ-CG 4.24Å; F118-R122 WeakPolarHBondContact O-CG 3.4Å; F118-R122 PolarHBondContact O-N 3.41Å; L119-R122 PolarHBondContact O-N 3.36Å; R120-R122 VanDerWaalsContact C-N 3.31Å; R122-D126 HydrophobicContact CB-CB 4.11Å; R122-D126 IonicContact CZ-OD2 2.76Å; R122-D126 IonicContact NE-OD2 3.92Å; R122-D126 PolarHBondContact NE-OD2 3.29Å; R122-D126 IonicContact NH2-OD2 2.96Å; R122-D126 PolarHBondContact NH2-OD2 3.37Å; R122-F127 HydrophobicContact CB-CD2 4.09Å; R122-F127 HydrophobicContact CB-CE2 4.49Å; R122-F127 HydrophobicContact CG-CD2 3.85Å; R122-F127 HydrophobicContact CG-CE2 3.87Å
123	P	91.6	Very high	95.9	Very high	55 Å²	55	41 Å²	41	36%	0.357	21%	0.205	S	C	.	.			trans	-46	138.8	167.4	-28.9	34.6	0	0	0	111.5	Q125 D126	P123-Q125 PolarHBondContact O-N 3.23Å; P123-D126 WeakPolarHBondContact CD-OD2 3.36Å; P123-D126 WeakPolarHBondContact O-CB 3.05Å; P123-D126 PolarHBondContact O-N 3.45Å
124	P	86	Confident	95.8	Very high	90 Å²	90	38.7 Å²	38.7	58%	0.584	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-23.1	-179	-28.3	35.3	0	0	0	114.5	R35	R35-P124 WeakPolarHBondContact CG-O 3.1Å; R35-P124 PolarHBondContact NE-O 2.65Å; R35-P124 VanDerWaalsContact NE-O 3.14Å
125	Q	89	Confident	95.6	Very high	84 Å²	84	37 Å²	37	39%	0.393	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.8	-0	179.7	-51.4	85.7	4.3	0	0	114.1	D34 R35 R36 P123	D34-Q125 HydrophobicContact CB-CG 4.43Å; D34-Q125 WeakPolarHBondContact OD2-CG 3.39Å; R35-Q125 CarbonylContact C-O 3.43Å; R35-Q125 WeakPolarHBondContact CA-O 3.39Å; R36-Q125 WeakPolarHBondContact CG-O 3.08Å; R36-Q125 PolarHBondContact N-O 3.15Å; P123-Q125 PolarHBondContact O-N 3.23Å
126	D	93.1	Very high	95.6	Very high	4 Å²	4	37 Å²	37	2%	0.021	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-69.3	-178.8	-79.2	-4.5	0	0	0	111.5	R36 F37 R122 P123	R36-D126 IonicContact CZ-OD1 3.68Å; R36-D126 PolarHBondContact N-O 3.26Å; R36-D126 IonicContact NE-OD1 2.98Å; R36-D126 PolarHBondContact NE-OD1 2.73Å; R36-D126 IonicContact NH2-OD1 2.81Å; R36-D126 PolarHBondContact NH2-OD1 3.36Å; R36-D126 IonicContact NH2-OD2 3.72Å; F37-D126 WeakPolarHBondContact CB-O 3.36Å; F37-D126 HydrophobicContact CD2-CB 4.47Å; F37-D126 PolarHBondContact N-O 3.31Å; R122-D126 HydrophobicContact CB-CB 4.11Å; R122-D126 IonicContact CZ-OD2 2.76Å; R122-D126 IonicContact NE-OD2 3.92Å; R122-D126 PolarHBondContact NE-OD2 3.29Å; R122-D126 IonicContact NH2-OD2 2.96Å; R122-D126 PolarHBondContact NH2-OD2 3.37Å; P123-D126 WeakPolarHBondContact CD-OD2 3.36Å; P123-D126 WeakPolarHBondContact O-CB 3.05Å; P123-D126 PolarHBondContact O-N 3.45Å
127	F	95.5	Very high	95.6	Very high	14 Å²	14	39.1 Å²	39.1	6%	0.061	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	127.2	-165.8	-67.2	-80.4	0	0	0	113.2	R35 F37 I39 L119 R122 V129 F211 L272	R35-F127 VanDerWaalsContact CD-O 3.28Å; R35-F127 WeakPolarHBondContact CD-O 3.5Å; R35-F127 PolarHBondContact NE-O 3.29Å; F37-F127 HydrophobicContact CB-CD1 3.74Å; F37-F127 HydrophobicContact CB-CE1 3.79Å; F37-F127 HydrophobicContact CD2-CD1 4.32Å; F37-F127 AromaticContact CD2-CE1 3.87Å; F37-F127 HydrophobicContact CD2-CE1 3.87Å; F37-F127 HydrophobicContact CD2-CE2 4.37Å; F37-F127 AromaticContact CD2-CZ 3.89Å; F37-F127 HydrophobicContact CD2-CZ 3.89Å; F37-F127 HydrophobicContact CG-CD1 4.49Å; F37-F127 HydrophobicContact CG-CE1 4.15Å; I39-F127 HydrophobicContact CB-CD1 4.4Å; I39-F127 HydrophobicContact CG2-CB 4.38Å; I39-F127 HydrophobicContact CG2-CD1 4.08Å; L119-F127 HydrophobicContact CD2-CB 4.15Å; L119-F127 HydrophobicContact CD2-CD1 4.14Å; L119-F127 HydrophobicContact CD2-CD2 3.89Å; L119-F127 HydrophobicContact CD2-CE2 4.36Å; L119-F127 HydrophobicContact CD2-CG 3.78Å; R122-F127 HydrophobicContact CB-CD2 4.09Å; R122-F127 HydrophobicContact CB-CE2 4.49Å; R122-F127 HydrophobicContact CG-CD2 3.85Å; R122-F127 HydrophobicContact CG-CE2 3.87Å; F127-V129 HydrophobicContact CB-CG2 4.22Å; F127-F211 HydrophobicContact CE1-CD2 4.05Å; F127-F211 AromaticContact CE1-CE2 3.75Å; F127-F211 HydrophobicContact CE1-CE2 3.75Å; F127-L272 HydrophobicContact CE1-CD1 4.44Å; F127-L272 HydrophobicContact CE1-CD2 3.9Å; F127-L272 HydrophobicContact CZ-CB 4.25Å; F127-L272 HydrophobicContact CZ-CD1 4.42Å; F127-L272 HydrophobicContact CZ-CD2 4.12Å; F127-L272 HydrophobicContact CZ-CG 4.5Å
128	E	97.1	Very high	95.6	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	120.6	157.9	-169	158.3	114.6	0	0	107.8	R35 F37 L38 I39 V154 Y195 R199 F207	R35-E128 HydrophobicContact CB-CB 4.26Å; F37-E128 PolarHBondContact O-N 3.03Å; L38-E128 HydrophobicContact CD1-CB 4.15Å; L38-E128 HydrophobicContact CD1-CG 4.25Å; L38-E128 WeakPolarHBondContact CD1-O 3.29Å; I39-E128 PolarHBondContact N-O 3.14Å; E128-V154 HydrophobicContact CG-CG1 4.5Å; E128-V154 HydrophobicContact CG-CG2 3.58Å; E128-Y195 PolarHBondContact OE1-OH 2.92Å; E128-R199 WeakPolarHBondContact OE1-CD 3.41Å; E128-R199 IonicContact OE1-CZ 2.76Å; E128-R199 IonicContact OE1-NE 2.73Å; E128-R199 PolarHBondContact OE1-NE 3.44Å; E128-R199 IonicContact OE1-NH2 2.77Å; E128-R199 IonicContact OE2-CZ 2.8Å; E128-R199 IonicContact OE2-NE 3.89Å; E128-R199 PolarHBondContact OE2-NE 3Å; E128-R199 IonicContact OE2-NH2 3.76Å; E128-R199 PolarHBondContact OE2-NH2 2.9Å; E128-F207 HydrophobicContact CB-CE1 4.22Å
129	V	98.1	Very high	95.6	Very high	4 Å²	4	33.5 Å²	33.5	2%	0.024	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	122.4	-174.5	-172	0	0	0	0	110.2	I39 F41 L119 F127 L152 F153 V154	I39-V129 HydrophobicContact CG2-CB 4.13Å; I39-V129 HydrophobicContact CG2-CG1 4.1Å; I39-V129 HydrophobicContact CG2-CG2 3.7Å; I39-V129 WeakPolarHBondContact O-CA 3.42Å; F41-V129 HydrophobicContact CD2-CG1 3.95Å; F41-V129 HydrophobicContact CE2-CG1 3.82Å; L119-V129 HydrophobicContact CD1-CG1 4.47Å; L119-V129 HydrophobicContact CD1-CG2 4.2Å; F127-V129 HydrophobicContact CB-CG2 4.22Å; V129-L152 HydrophobicContact CB-CD1 4.41Å; V129-L152 HydrophobicContact CB-CG 4.17Å; V129-L152 HydrophobicContact CG1-CD2 4.36Å; V129-L152 HydrophobicContact CG1-CG 4.04Å; V129-L152 HydrophobicContact CG2-CD1 3.89Å; V129-L152 HydrophobicContact CG2-CG 4.13Å; V129-F153 HydrophobicContact CG1-CD1 3.81Å; V129-F153 HydrophobicContact CG1-CE1 3.78Å; V129-F153 HydrophobicContact CG1-CZ 4.45Å; V129-F153 WeakPolarHBondContact O-CA 3.37Å; V129-V154 WeakPolarHBondContact O-CG2 3.15Å; V129-V154 PolarHBondContact O-N 2.95Å
130	V	98.6	Very high	95.7	Very high	1 Å²	1	33 Å²	33	1%	0.006	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	148.1	-175.5	177	0	0	0	0	110	L38 I39 I40 F41 V132 V154 K155 F157 Y195	L38-V130 HydrophobicContact CD1-CB 4.31Å; L38-V130 HydrophobicContact CD1-CG2 3.71Å; I39-V130 PolarHBondContact O-N 2.59Å; I40-V130 CarbonylContact C-O 3.59Å; I40-V130 VanDerWaalsContact CA-O 3.3Å; I40-V130 WeakPolarHBondContact CA-O 3.16Å; I40-V130 HydrophobicContact CG1-CB 4.4Å; F41-V130 PolarHBondContact N-O 2.73Å; V130-V132 HydrophobicContact CG1-CG2 4.09Å; V130-V154 HydrophobicContact CG2-CG2 3.91Å; V130-K155 WeakPolarHBondContact CA-O 3.15Å; V130-K155 HydrophobicContact CG1-CB 4.39Å; V130-K155 HydrophobicContact CG2-CB 4.38Å; V130-F157 HydrophobicContact CG1-CD2 3.78Å; V130-F157 HydrophobicContact CG1-CE2 3.8Å; V130-Y195 HydrophobicContact CG2-CE1 3.67Å; V130-Y195 HydrophobicContact CG2-CE2 4.48Å; V130-Y195 VanDerWaalsContact CG2-OH 3.24Å; V130-Y195 WeakPolarHBondContact CG2-OH 3.34Å
131	L	98.9	Very high	95.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	129.2	172.1	-163.7	165.6	0	0	0	109.1	F41 F43 I47 S133 I140 L144 F153 K155 I156 F157	F41-L131 CarbonylContact O-C 3.55Å; F41-L131 WeakPolarHBondContact O-CA 3.26Å; F43-L131 HydrophobicContact CB-CD2 4.23Å; F43-L131 HydrophobicContact CD2-CD1 4.26Å; I47-L131 HydrophobicContact CD1-CD1 3.7Å; I47-L131 HydrophobicContact CD1-CG 4.15Å; L131-S133 VanDerWaalsContact CD2-CB 3.43Å; L131-I140 HydrophobicContact CD1-CG2 3.74Å; L131-I140 HydrophobicContact CD2-CD1 3.82Å; L131-L144 HydrophobicContact CD1-CD1 4.01Å; L131-F153 HydrophobicContact CB-CD1 3.67Å; L131-F153 HydrophobicContact CB-CE1 3.87Å; L131-F153 HydrophobicContact CB-CG 4.48Å; L131-F153 HydrophobicContact CD1-CD1 4.41Å; L131-F153 HydrophobicContact CD1-CE1 4.16Å; L131-F153 HydrophobicContact CD1-CZ 4.41Å; L131-F153 HydrophobicContact CG-CE1 4.35Å; L131-K155 PolarHBondContact N-O 2.8Å; L131-I156 HydrophobicContact CB-CG1 4.2Å; L131-I156 HydrophobicContact CB-CG2 4.38Å; L131-I156 HydrophobicContact CD2-CG2 4.27Å; L131-I156 CarbonylContact O-C 3.59Å; L131-I156 WeakPolarHBondContact O-CA 3.24Å; L131-F157 PolarHBondContact O-N 2.78Å
132	V	98.8	Very high	96	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.012	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	107.3	173.5	-176.4	0	0	0	0	108	I40 F41 V130 F157 M186 K188 I191	I40-V132 HydrophobicContact CG2-CB 3.99Å; I40-V132 HydrophobicContact CG2-CG2 3.62Å; F41-V132 PolarHBondContact O-N 3.47Å; V130-V132 HydrophobicContact CG1-CG2 4.09Å; V132-F157 WeakPolarHBondContact CA-O 3.38Å; V132-F157 HydrophobicContact CG1-CB 4.44Å; V132-F157 HydrophobicContact CG2-CB 4.26Å; V132-F157 HydrophobicContact CG2-CD2 3.89Å; V132-M186 HydrophobicContact CG1-CE 3.92Å; V132-K188 HydrophobicContact CG1-CB 3.85Å; V132-K188 HydrophobicContact CG1-CD 4.16Å; V132-K188 HydrophobicContact CG1-CG 3.81Å; V132-I191 HydrophobicContact CG1-CB 4.28Å; V132-I191 HydrophobicContact CG1-CD1 4.05Å; V132-I191 HydrophobicContact CG1-CG2 4.04Å; V132-I191 HydrophobicContact CG2-CG2 3.99Å
133	S	97.9	Very high	96.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	144.6	-173.3	174.4	0	0	0	0	112.7	D42 F43 L131 A135 F157 T158 M186	D42-S133 WeakPolarHBondContact OD1-CA 3.19Å; D42-S133 VanDerWaalsContact OD1-CB 3.25Å; D42-S133 WeakPolarHBondContact OD1-CB 3.34Å; D42-S133 PolarHBondContact OD1-OG 3.41Å; F43-S133 VanDerWaalsContact CB-OG 3.32Å; F43-S133 WeakPolarHBondContact CB-OG 3.47Å; L131-S133 VanDerWaalsContact CD2-CB 3.43Å; S133-A135 PolarHBondContact O-N 2.74Å; S133-A135 WeakPolarHBondContact OG-CB 3.26Å; S133-A135 PolarHBondContact OG-N 3.25Å; S133-A135 VanDerWaalsContact OG-N 3.14Å; S133-F157 PolarHBondContact N-O 3.21Å; S133-T158 WeakPolarHBondContact O-CA 3.24Å; S133-T158 VanDerWaalsContact O-CB 3.25Å; S133-T158 WeakPolarHBondContact O-CB 3.37Å; S133-T158 PolarHBondContact O-OG1 2.59Å; S133-M186 WeakPolarHBondContact O-CE 3.41Å
134	D	94.8	Very high	96.6	Very high	30 Å²	30	17 Å²	17	16%	0.16	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	4.8	176.1	-155.1	25.1	0	0	0	113.9	N159 N185 M186	D134-N159 PolarHBondContact O-ND2 3.33Å; D134-N159 PolarHBondContact OD1-ND2 3.04Å; D134-N185 PolarHBondContact OD1-ND2 3.5Å; D134-M186 HydrophobicContact CB-SD 4.45Å
135	A	95.9	Very high	97.2	Very high	3 Å²	3	20.3 Å²	20.3	3%	0.025	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	-146.3	167.5	0	0	0	0	0	110.8	F43 D44 S133 I140 T158 N159	F43-A135 HydrophobicContact CD1-CB 4.14Å; D44-A135 VanDerWaalsContact OD2-CB 3.26Å; D44-A135 WeakPolarHBondContact OD2-CB 3.48Å; S133-A135 PolarHBondContact O-N 2.74Å; S133-A135 WeakPolarHBondContact OG-CB 3.26Å; S133-A135 PolarHBondContact OG-N 3.25Å; S133-A135 VanDerWaalsContact OG-N 3.14Å; A135-I140 HydrophobicContact CB-CD1 3.94Å; A135-I140 HydrophobicContact CB-CG1 4.17Å; A135-T158 PolarHBondContact O-OG1 3.07Å; A135-N159 VanDerWaalsContact O-CB 3.28Å; A135-N159 WeakPolarHBondContact O-CB 3.25Å; A135-N159 PolarHBondContact O-N 3.2Å; A135-N159 PolarHBondContact O-ND2 3.23Å
136	N	97.3	Very high	97.7	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	161.7	175.3	72.1	73.1	0	0	0	114	F138 F139 I140 T158 N159 A161 L171	N136-F138 VanDerWaalsContact C-N 3.26Å; N136-F138 PolarHBondContact O-N 3.34Å; N136-F138 WeakPolarHBondContact OD1-CB 3.39Å; N136-F138 PolarHBondContact OD1-N 2.9Å; N136-F139 WeakPolarHBondContact ND2-CD2 3.05Å; N136-F139 WeakPolarHBondContact ND2-CE2 3.45Å; N136-F139 VanDerWaalsContact ND2-CG 3.26Å; N136-F139 WeakPolarHBondContact ND2-CG 3.34Å; N136-F139 WeakPolarHBondContact ND2-CZ 3.23Å; N136-F139 PolarHBondContact O-N 3.27Å; N136-F139 PolarHBondContact OD1-N 3.41Å; N136-I140 PolarHBondContact O-N 3.12Å; N136-I140 VanDerWaalsContact O-N 3.12Å; N136-T158 PolarHBondContact N-OG1 3.44Å; N136-N159 CarbonylContact C-O 3.54Å; N136-N159 VanDerWaalsContact CA-O 3.22Å; N136-N159 WeakPolarHBondContact CA-O 3.31Å; N136-N159 WeakPolarHBondContact CB-O 3.4Å; N136-A161 HydrophobicContact CB-CB 3.63Å; N136-A161 VanDerWaalsContact OD1-CB 3.27Å; N136-A161 WeakPolarHBondContact OD1-CB 3.23Å; N136-L171 HydrophobicContact CB-CD2 3.43Å; N136-L171 VanDerWaalsContact CB-CD2 3.43Å
137	T	98	Very high	97.9	Very high	47 Å²	47	25.7 Å²	25.7	29%	0.288	12%	0.115	S	C	.	.	H	α-helix	trans	-58.3	-36.2	-176	52.2	0	0	0	0	113.1	E141 T158 N159 A161	T137-E141 WeakPolarHBondContact O-CB 3.36Å; T137-E141 WeakPolarHBondContact O-CG 3.42Å; T137-E141 PolarHBondContact O-N 3.29Å; T137-T158 HydrophobicContact CG2-CG2 3.44Å; T137-T158 VanDerWaalsContact CG2-CG2 3.44Å; T137-N159 PolarHBondContact N-O 3.08Å; T137-A161 PolarHBondContact OG1-N 3.49Å; T137-A161 PolarHBondContact OG1-O 3.26Å
138	F	98.4	Very high	98.1	Very high	24 Å²	24	27 Å²	27	11%	0.105	13%	0.134	C	C	.	.	H	α-helix	trans	-69.1	-44.6	-178.3	177.4	-107	0	0	0	111.4	E96 I99 R100 N136 S142 A161 F163 L169	E96-F138 HydrophobicContact CG-CE2 4.01Å; E96-F138 HydrophobicContact CG-CZ 3.75Å; E96-F138 WeakPolarHBondContact OE1-CE2 3.44Å; I99-F138 HydrophobicContact CB-CE1 4.25Å; I99-F138 HydrophobicContact CG2-CD1 4.33Å; I99-F138 HydrophobicContact CG2-CE1 3.7Å; R100-F138 HydrophobicContact CB-CZ 3.96Å; R100-F138 HydrophobicContact CG-CZ 4.39Å; N136-F138 VanDerWaalsContact C-N 3.26Å; N136-F138 PolarHBondContact O-N 3.34Å; N136-F138 WeakPolarHBondContact OD1-CB 3.39Å; N136-F138 PolarHBondContact OD1-N 2.9Å; F138-S142 VanDerWaalsContact O-CB 3.26Å; F138-S142 WeakPolarHBondContact O-CB 3.36Å; F138-S142 PolarHBondContact O-N 3.01Å; F138-S142 PolarHBondContact O-OG 2.91Å; F138-A161 HydrophobicContact CB-CB 3.86Å; F138-F163 HydrophobicContact CD1-CE2 4.1Å; F138-F163 HydrophobicContact CD1-CZ 4.44Å; F138-F163 AromaticContact CD2-CE2 3.85Å; F138-F163 HydrophobicContact CD2-CE2 3.85Å; F138-F163 AromaticContact CE1-CE2 3.9Å; F138-F163 HydrophobicContact CE1-CE2 3.9Å; F138-F163 HydrophobicContact CE1-CZ 4.05Å; F138-F163 HydrophobicContact CE2-CD2 4.47Å; F138-F163 AromaticContact CE2-CE2 3.61Å; F138-F163 HydrophobicContact CE2-CE2 3.61Å; F138-F163 HydrophobicContact CE2-CZ 4.46Å; F138-F163 HydrophobicContact CG-CE2 4.1Å; F138-F163 AromaticContact CZ-CE2 3.64Å; F138-F163 HydrophobicContact CZ-CE2 3.64Å; F138-F163 HydrophobicContact CZ-CZ 4.05Å; F138-L169 HydrophobicContact CB-CD1 4Å; F138-L169 HydrophobicContact CB-CD2 4.41Å; F138-L169 HydrophobicContact CD1-CD1 4.31Å; F138-L169 HydrophobicContact CD1-CD2 3.84Å; F138-L169 HydrophobicContact CG-CD1 4.17Å; F138-L169 HydrophobicContact CG-CD2 4.42Å
139	F	98.4	Very high	98.1	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-65.8	-51	-180	-64.7	-4.5	0	0	0	111.3	V56 I99 I103 N136 E141 S142 W143 L169	V56-F139 HydrophobicContact CB-CE2 4.28Å; V56-F139 HydrophobicContact CB-CZ 3.97Å; V56-F139 HydrophobicContact CG1-CE2 4.46Å; V56-F139 HydrophobicContact CG1-CZ 4.24Å; V56-F139 HydrophobicContact CG2-CE1 4.1Å; V56-F139 HydrophobicContact CG2-CE2 4.46Å; V56-F139 HydrophobicContact CG2-CZ 3.68Å; I99-F139 HydrophobicContact CG2-CE1 3.82Å; I103-F139 HydrophobicContact CD1-CB 4.32Å; I103-F139 HydrophobicContact CD1-CD1 3.85Å; I103-F139 HydrophobicContact CD1-CD2 3.88Å; I103-F139 HydrophobicContact CD1-CE1 4.14Å; I103-F139 HydrophobicContact CD1-CE2 4.15Å; I103-F139 HydrophobicContact CD1-CG 3.75Å; I103-F139 HydrophobicContact CD1-CZ 4.3Å; I103-F139 HydrophobicContact CG1-CB 4.43Å; I103-F139 HydrophobicContact CG1-CD1 3.67Å; I103-F139 HydrophobicContact CG1-CE1 4.08Å; I103-F139 HydrophobicContact CG1-CG 3.98Å; I103-F139 HydrophobicContact CG2-CB 4.07Å; I103-F139 WeakPolarHBondContact CG2-O 3.22Å; N136-F139 WeakPolarHBondContact ND2-CD2 3.05Å; N136-F139 WeakPolarHBondContact ND2-CE2 3.45Å; N136-F139 VanDerWaalsContact ND2-CG 3.26Å; N136-F139 WeakPolarHBondContact ND2-CG 3.34Å; N136-F139 WeakPolarHBondContact ND2-CZ 3.23Å; N136-F139 PolarHBondContact O-N 3.27Å; N136-F139 PolarHBondContact OD1-N 3.41Å; F139-E141 PolarHBondContact O-N 2.98Å; F139-S142 PolarHBondContact O-N 3.38Å; F139-W143 PolarHBondContact O-N 2.9Å; F139-L169 HydrophobicContact CD1-CD2 4.48Å; F139-L169 HydrophobicContact CE1-CD2 3.67Å; F139-L169 HydrophobicContact CZ-CD2 4.2Å
140	I	98.8	Very high	98.1	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61	-48.1	-178.5	-71.4	167.1	0	0	0	111.1	F43 L131 A135 N136 S142 W143 L144 I156 T158	F43-I140 HydrophobicContact CB-CD1 4.28Å; F43-I140 HydrophobicContact CB-CG1 4.19Å; F43-I140 HydrophobicContact CD1-CG1 3.71Å; F43-I140 HydrophobicContact CD2-CG1 4.06Å; F43-I140 HydrophobicContact CE1-CG1 4.05Å; F43-I140 HydrophobicContact CE2-CG1 4.39Å; F43-I140 HydrophobicContact CG-CD1 4.34Å; F43-I140 HydrophobicContact CG-CG1 3.72Å; F43-I140 HydrophobicContact CZ-CG1 4.38Å; L131-I140 HydrophobicContact CD1-CG2 3.74Å; L131-I140 HydrophobicContact CD2-CD1 3.82Å; A135-I140 HydrophobicContact CB-CD1 3.94Å; A135-I140 HydrophobicContact CB-CG1 4.17Å; N136-I140 PolarHBondContact O-N 3.12Å; N136-I140 VanDerWaalsContact O-N 3.12Å; I140-S142 VanDerWaalsContact C-N 3.34Å; I140-S142 PolarHBondContact O-N 3.14Å; I140-W143 PolarHBondContact O-N 3.42Å; I140-L144 HydrophobicContact CG2-CD1 3.55Å; I140-L144 HydrophobicContact CG2-CG 4.13Å; I140-L144 VanDerWaalsContact O-CB 3.26Å; I140-L144 WeakPolarHBondContact O-CB 3.25Å; I140-L144 VanDerWaalsContact O-CG 3.24Å; I140-L144 WeakPolarHBondContact O-CG 3.22Å; I140-L144 PolarHBondContact O-N 2.87Å; I140-I156 HydrophobicContact CG2-CD1 4.08Å; I140-I156 HydrophobicContact CG2-CG2 3.95Å; I140-T158 HydrophobicContact CD1-CG2 3.88Å; I140-T158 WeakPolarHBondContact CD1-OG1 3.46Å
141	E	98.6	Very high	98	Very high	43 Å²	43	38.8 Å²	38.8	20%	0.201	19%	0.186	C	C	.	.	H	α-helix	trans	-64.4	-39.9	-179.5	-73.6	-79.8	169.5	0	0	111.6	T137 F139 R145 R150	T137-E141 WeakPolarHBondContact O-CB 3.36Å; T137-E141 WeakPolarHBondContact O-CG 3.42Å; T137-E141 PolarHBondContact O-N 3.29Å; F139-E141 PolarHBondContact O-N 2.98Å; E141-R145 VanDerWaalsContact O-CB 3.25Å; E141-R145 WeakPolarHBondContact O-CB 3.45Å; E141-R145 WeakPolarHBondContact O-CD 3.36Å; E141-R145 WeakPolarHBondContact O-CG 3.44Å; E141-R145 PolarHBondContact O-N 3.48Å; E141-R145 IonicContact OE2-CZ 3.12Å; E141-R145 VanDerWaalsContact OE2-CZ 3.29Å; E141-R145 IonicContact OE2-NE 2.71Å; E141-R145 PolarHBondContact OE2-NE 3.27Å; E141-R145 IonicContact OE2-NH2 3.21Å; E141-R145 PolarHBondContact OE2-NH2 3.42Å; E141-R150 IonicContact OE1-CZ 2.58Å; E141-R150 VanDerWaalsContact OE1-CZ 3.31Å; E141-R150 IonicContact OE1-NE 3.49Å; E141-R150 PolarHBondContact OE1-NE 3.12Å; E141-R150 IonicContact OE1-NH2 3.75Å; E141-R150 PolarHBondContact OE1-NH2 3.23Å; E141-R150 WeakPolarHBondContact OE2-CD 3.38Å; E141-R150 IonicContact OE2-NE 3.93Å; E141-R150 PolarHBondContact OE2-NE 3.29Å
142	S	98.7	Very high	97.9	Very high	8 Å²	8	39.8 Å²	39.8	6%	0.056	19%	0.191	C	C	.	.	H	α-helix	trans	-60.8	-52.6	178.1	-61.4	0	0	0	0	110.9	F138 F139 I140 R145 R146	F138-S142 VanDerWaalsContact O-CB 3.26Å; F138-S142 WeakPolarHBondContact O-CB 3.36Å; F138-S142 PolarHBondContact O-N 3.01Å; F138-S142 PolarHBondContact O-OG 2.91Å; F139-S142 PolarHBondContact O-N 3.38Å; I140-S142 VanDerWaalsContact C-N 3.34Å; I140-S142 PolarHBondContact O-N 3.14Å; S142-R145 PolarHBondContact O-N 3.4Å; S142-R146 WeakPolarHBondContact O-CB 3.19Å; S142-R146 PolarHBondContact O-N 3.48Å
143	W	98.8	Very high	97.9	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.011	19%	0.191	C	C	.	.	H	α-helix	trans	-64.9	-49.1	-178.6	-168.1	94.9	0	0	0	112.1	F43 I47 V48 I103 I106 A108 L113 F116 F139 I140 R145 R146 V147	F43-W143 HydrophobicContact CE2-CB 4.24Å; F43-W143 HydrophobicContact CE2-CD2 4.17Å; F43-W143 AromaticContact CE2-CE3 3.94Å; F43-W143 HydrophobicContact CE2-CE3 3.94Å; F43-W143 HydrophobicContact CE2-CG 4.29Å; F43-W143 HydrophobicContact CZ-CB 3.76Å; F43-W143 HydrophobicContact CZ-CD2 4.28Å; F43-W143 HydrophobicContact CZ-CE3 4.49Å; F43-W143 AromaticContact CZ-CG 3.94Å; F43-W143 HydrophobicContact CZ-CG 3.94Å; I47-W143 HydrophobicContact CG2-CE3 4.05Å; I47-W143 HydrophobicContact CG2-CH2 3.67Å; I47-W143 HydrophobicContact CG2-CZ3 3.36Å; V48-W143 HydrophobicContact CG1-CD2 3.67Å; V48-W143 HydrophobicContact CG1-CE3 4.3Å; V48-W143 HydrophobicContact CG1-CG 3.94Å; V48-W143 HydrophobicContact CG1-CH2 4.4Å; V48-W143 HydrophobicContact CG1-CZ2 3.79Å; I103-W143 HydrophobicContact CG2-CB 4.23Å; I106-W143 PolarHBondContact O-NE1 2.96Å; A108-W143 HydrophobicContact CB-CH2 3.98Å; A108-W143 HydrophobicContact CB-CZ2 3.77Å; L113-W143 HydrophobicContact CD2-CH2 4.15Å; F116-W143 HydrophobicContact CE2-CH2 4.47Å; F116-W143 HydrophobicContact CE2-CZ3 4.14Å; F139-W143 PolarHBondContact O-N 2.9Å; I140-W143 PolarHBondContact O-N 3.42Å; W143-R145 VanDerWaalsContact C-N 3.29Å; W143-R145 PolarHBondContact O-N 2.96Å; W143-R146 WeakPolarHBondContact O-CB 3.36Å; W143-R146 PolarHBondContact O-N 3.43Å; W143-R146 VanDerWaalsContact O-N 3.15Å; W143-V147 HydrophobicContact CD2-CG1 4.26Å; W143-V147 HydrophobicContact CD2-CG2 4.44Å; W143-V147 HydrophobicContact CE3-CG1 4.41Å; W143-V147 HydrophobicContact CE3-CG2 3.79Å; W143-V147 HydrophobicContact CH2-CG1 4.06Å; W143-V147 HydrophobicContact CH2-CG2 3.86Å; W143-V147 HydrophobicContact CZ2-CG1 3.87Å; W143-V147 HydrophobicContact CZ2-CG2 4.48Å; W143-V147 HydrophobicContact CZ3-CG1 4.32Å; W143-V147 HydrophobicContact CZ3-CG2 3.47Å; W143-V147 VanDerWaalsContact CZ3-CG2 3.47Å; W143-V147 PolarHBondContact O-N 2.9Å; W143-V147 VanDerWaalsContact O-N 3.11Å
144	L	98.8	Very high	97.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61.7	-35.4	-178.9	-73.1	179.8	0	0	0	112.8	L131 I140 G148 A149 R150 F153 I156	L131-L144 HydrophobicContact CD1-CD1 4.01Å; I140-L144 HydrophobicContact CG2-CD1 3.55Å; I140-L144 HydrophobicContact CG2-CG 4.13Å; I140-L144 VanDerWaalsContact O-CB 3.26Å; I140-L144 WeakPolarHBondContact O-CB 3.25Å; I140-L144 VanDerWaalsContact O-CG 3.24Å; I140-L144 WeakPolarHBondContact O-CG 3.22Å; I140-L144 PolarHBondContact O-N 2.87Å; L144-G148 CarbonylContact O-C 3.59Å; L144-G148 PolarHBondContact O-N 3.35Å; L144-A149 HydrophobicContact CD2-CB 3.85Å; L144-A149 PolarHBondContact O-N 3.4Å; L144-R150 HydrophobicContact CB-CB 4.03Å; L144-R150 PolarHBondContact O-N 2.94Å; L144-R150 VanDerWaalsContact O-N 3.09Å; L144-F153 HydrophobicContact CD1-CD2 3.89Å; L144-F153 HydrophobicContact CD1-CE2 4.16Å; L144-F153 HydrophobicContact CD1-CG 4.48Å; L144-F153 HydrophobicContact CD2-CD2 3.98Å; L144-F153 HydrophobicContact CD2-CE2 3.47Å; L144-F153 VanDerWaalsContact CD2-CE2 3.47Å; L144-F153 HydrophobicContact CD2-CZ 4.21Å; L144-F153 HydrophobicContact CG-CE2 4.49Å; L144-I156 HydrophobicContact CD1-CD1 3.64Å
145	R	98.7	Very high	97.9	Very high	159 Å²	159	45.5 Å²	45.5	60%	0.6	22%	0.218	S	C	*	.	H	α-helix	trans	-71.4	-42.7	175.6	-72.8	171.3	-171.1	-95.9	-3.9	111.1	E141 S142 W143 V147 G148 R150	E141-R145 VanDerWaalsContact O-CB 3.25Å; E141-R145 WeakPolarHBondContact O-CB 3.45Å; E141-R145 WeakPolarHBondContact O-CD 3.36Å; E141-R145 WeakPolarHBondContact O-CG 3.44Å; E141-R145 PolarHBondContact O-N 3.48Å; E141-R145 IonicContact OE2-CZ 3.12Å; E141-R145 VanDerWaalsContact OE2-CZ 3.29Å; E141-R145 IonicContact OE2-NE 2.71Å; E141-R145 PolarHBondContact OE2-NE 3.27Å; E141-R145 IonicContact OE2-NH2 3.21Å; E141-R145 PolarHBondContact OE2-NH2 3.42Å; S142-R145 PolarHBondContact O-N 3.4Å; W143-R145 VanDerWaalsContact C-N 3.29Å; W143-R145 PolarHBondContact O-N 2.96Å; R145-V147 VanDerWaalsContact C-N 3.28Å; R145-V147 PolarHBondContact O-N 3.03Å; R145-G148 PolarHBondContact O-N 2.85Å; R145-R150 HydrophobicContact CG-CB 4.04Å; R145-R150 HydrophobicContact CG-CG 4.21Å
146	R	98.4	Very high	98	Very high	150 Å²	150	46.7 Å²	46.7	57%	0.566	22%	0.224	S	C	*	.	H	α-helix	trans	-58.1	-38.1	179	176.8	65	-177.2	82.4	0.8	113.5	E104 S142 W143	E104-R146 HydrophobicContact CB-CB 4.23Å; E104-R146 HydrophobicContact CB-CG 3.87Å; E104-R146 HydrophobicContact CG-CB 3.78Å; E104-R146 HydrophobicContact CG-CG 3.95Å; S142-R146 WeakPolarHBondContact O-CB 3.19Å; S142-R146 PolarHBondContact O-N 3.48Å; W143-R146 WeakPolarHBondContact O-CB 3.36Å; W143-R146 PolarHBondContact O-N 3.43Å; W143-R146 VanDerWaalsContact O-N 3.15Å
147	V	98.3	Very high	98.1	Very high	50 Å²	50	47.9 Å²	47.9	30%	0.303	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93	2.2	177.3	-52.7	0	0	0	0	113.3	L113 W143 R145 A149	L113-V147 HydrophobicContact CD2-CB 4.38Å; L113-V147 HydrophobicContact CD2-CG2 4.43Å; W143-V147 HydrophobicContact CD2-CG1 4.26Å; W143-V147 HydrophobicContact CD2-CG2 4.44Å; W143-V147 HydrophobicContact CE3-CG1 4.41Å; W143-V147 HydrophobicContact CE3-CG2 3.79Å; W143-V147 HydrophobicContact CH2-CG1 4.06Å; W143-V147 HydrophobicContact CH2-CG2 3.86Å; W143-V147 HydrophobicContact CZ2-CG1 3.87Å; W143-V147 HydrophobicContact CZ2-CG2 4.48Å; W143-V147 HydrophobicContact CZ3-CG1 4.32Å; W143-V147 HydrophobicContact CZ3-CG2 3.47Å; W143-V147 VanDerWaalsContact CZ3-CG2 3.47Å; W143-V147 PolarHBondContact O-N 2.9Å; W143-V147 VanDerWaalsContact O-N 3.11Å; R145-V147 VanDerWaalsContact C-N 3.28Å; R145-V147 PolarHBondContact O-N 3.03Å; V147-A149 HydrophobicContact CG2-CB 3.6Å; V147-A149 PolarHBondContact O-N 3.03Å
148	G	98.1	Very high	98.1	Very high	43 Å²	43	45.9 Å²	45.9	44%	0.443	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	9.7	-178.5	0	0	0	0	0	115.1	R120 L144 R145	R120-G148 PolarHBondContact NH2-O 3.17Å; L144-G148 CarbonylContact O-C 3.59Å; L144-G148 PolarHBondContact O-N 3.35Å; R145-G148 PolarHBondContact O-N 2.85Å
149	A	98.1	Very high	98	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.008	21%	0.212	C	C	.	.			trans	-77.9	-15.1	-177.8	0	0	0	0	0	114.9	F116 L144 V147 Q151 L152 F153	F116-A149 HydrophobicContact CD2-CB 3.67Å; F116-A149 HydrophobicContact CE2-CB 3.78Å; L144-A149 HydrophobicContact CD2-CB 3.85Å; L144-A149 PolarHBondContact O-N 3.4Å; V147-A149 HydrophobicContact CG2-CB 3.6Å; V147-A149 PolarHBondContact O-N 3.03Å; A149-Q151 VanDerWaalsContact C-N 3.28Å; A149-Q151 PolarHBondContact O-N 2.63Å; A149-Q151 VanDerWaalsContact O-N 3.09Å; A149-L152 WeakPolarHBondContact O-CB 3.21Å; A149-L152 PolarHBondContact O-N 3.22Å; A149-F153 HydrophobicContact CB-CE2 4.42Å
150	R	98.1	Very high	98	Very high	66 Å²	66	46.3 Å²	46.3	25%	0.249	22%	0.222	C	C	.	.	G	3₁₀ helix	trans	-53.4	-39.2	-170.9	-178.5	56	-173.6	87.7	-7.3	115.4	E141 L144 R145 L152 F153	E141-R150 IonicContact OE1-CZ 2.58Å; E141-R150 VanDerWaalsContact OE1-CZ 3.31Å; E141-R150 IonicContact OE1-NE 3.49Å; E141-R150 PolarHBondContact OE1-NE 3.12Å; E141-R150 IonicContact OE1-NH2 3.75Å; E141-R150 PolarHBondContact OE1-NH2 3.23Å; E141-R150 WeakPolarHBondContact OE2-CD 3.38Å; E141-R150 IonicContact OE2-NE 3.93Å; E141-R150 PolarHBondContact OE2-NE 3.29Å; L144-R150 HydrophobicContact CB-CB 4.03Å; L144-R150 PolarHBondContact O-N 2.94Å; L144-R150 VanDerWaalsContact O-N 3.09Å; R145-R150 HydrophobicContact CG-CB 4.04Å; R145-R150 HydrophobicContact CG-CG 4.21Å; R150-L152 PolarHBondContact O-N 3.09Å; R150-F153 PolarHBondContact NH1-O 2.95Å; R150-F153 VanDerWaalsContact NH1-O 3.14Å; R150-F153 PolarHBondContact O-N 3.45Å
151	Q	96.3	Very high	97.8	Very high	185 Å²	185	46.7 Å²	46.7	86%	0.864	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-67.4	-19.5	-178.9	-67.9	-87.2	20.3	0	0	113.4	A149 F153	A149-Q151 VanDerWaalsContact C-N 3.28Å; A149-Q151 PolarHBondContact O-N 2.63Å; A149-Q151 VanDerWaalsContact O-N 3.09Å; Q151-F153 VanDerWaalsContact C-N 3.31Å
152	L	97.1	Very high	97.7	Very high	21 Å²	21	48.3 Å²	48.3	11%	0.11	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-67.1	-36.3	177.9	-178.9	60.3	0	0	0	111.4	F116 L119 R120 V129 A149 R150 V154	F116-L152 HydrophobicContact CB-CD2 3.86Å; F116-L152 HydrophobicContact CD1-CD2 3.6Å; F116-L152 HydrophobicContact CE1-CD2 4.31Å; F116-L152 HydrophobicContact CG-CD2 3.8Å; L119-L152 HydrophobicContact CB-CD1 4.02Å; L119-L152 HydrophobicContact CB-CD2 4.36Å; L119-L152 HydrophobicContact CD1-CD2 4.25Å; R120-L152 HydrophobicContact CG-CD1 3.96Å; V129-L152 HydrophobicContact CB-CD1 4.41Å; V129-L152 HydrophobicContact CB-CG 4.17Å; V129-L152 HydrophobicContact CG1-CD2 4.36Å; V129-L152 HydrophobicContact CG1-CG 4.04Å; V129-L152 HydrophobicContact CG2-CD1 3.89Å; V129-L152 HydrophobicContact CG2-CG 4.13Å; A149-L152 WeakPolarHBondContact O-CB 3.21Å; A149-L152 PolarHBondContact O-N 3.22Å; R150-L152 PolarHBondContact O-N 3.09Å; L152-V154 PolarHBondContact O-N 3.14Å
153	F	97.8	Very high	97.6	Very high	4 Å²	4	50.2 Å²	50.2	2%	0.018	25%	0.246	C	C	.	.			trans	-87.3	112.2	-172.4	-64.1	-87.8	0	0	0	111	F41 I47 F116 V129 L131 L144 A149 R150 Q151 K155 I156	F41-F153 HydrophobicContact CB-CE1 4.42Å; F41-F153 HydrophobicContact CD2-CE1 4.04Å; I47-F153 HydrophobicContact CD1-CE1 4.15Å; I47-F153 HydrophobicContact CD1-CZ 3.76Å; F116-F153 HydrophobicContact CE1-CE2 4.33Å; F116-F153 AromaticContact CE1-CZ 3.77Å; F116-F153 HydrophobicContact CE1-CZ 3.77Å; F116-F153 HydrophobicContact CE2-CE2 4.44Å; F116-F153 HydrophobicContact CZ-CE2 4.03Å; F116-F153 AromaticContact CZ-CZ 3.67Å; F116-F153 HydrophobicContact CZ-CZ 3.67Å; V129-F153 HydrophobicContact CG1-CD1 3.81Å; V129-F153 HydrophobicContact CG1-CE1 3.78Å; V129-F153 HydrophobicContact CG1-CZ 4.45Å; V129-F153 WeakPolarHBondContact O-CA 3.37Å; L131-F153 HydrophobicContact CB-CD1 3.67Å; L131-F153 HydrophobicContact CB-CE1 3.87Å; L131-F153 HydrophobicContact CB-CG 4.48Å; L131-F153 HydrophobicContact CD1-CD1 4.41Å; L131-F153 HydrophobicContact CD1-CE1 4.16Å; L131-F153 HydrophobicContact CD1-CZ 4.41Å; L131-F153 HydrophobicContact CG-CE1 4.35Å; L144-F153 HydrophobicContact CD1-CD2 3.89Å; L144-F153 HydrophobicContact CD1-CE2 4.16Å; L144-F153 HydrophobicContact CD1-CG 4.48Å; L144-F153 HydrophobicContact CD2-CD2 3.98Å; L144-F153 HydrophobicContact CD2-CE2 3.47Å; L144-F153 VanDerWaalsContact CD2-CE2 3.47Å; L144-F153 HydrophobicContact CD2-CZ 4.21Å; L144-F153 HydrophobicContact CG-CE2 4.49Å; A149-F153 HydrophobicContact CB-CE2 4.42Å; R150-F153 PolarHBondContact NH1-O 2.95Å; R150-F153 VanDerWaalsContact NH1-O 3.14Å; R150-F153 PolarHBondContact O-N 3.45Å; Q151-F153 VanDerWaalsContact C-N 3.31Å; F153-K155 PolarHBondContact O-N 3.28Å; F153-I156 HydrophobicContact CB-CD1 4.38Å; F153-I156 HydrophobicContact CB-CG1 4.04Å
154	V	96.1	Very high	97.4	Very high	52 Å²	52	52.9 Å²	52.9	32%	0.315	26%	0.26	S	S	.	.	S	Bend	trans	-70.1	-28	177.4	-56.9	0	0	0	0	111.6	P31 E128 V129 V130 L152	P31-V154 HydrophobicContact CB-CB 4.13Å; P31-V154 HydrophobicContact CB-CG1 4.1Å; P31-V154 HydrophobicContact CB-CG2 4.44Å; P31-V154 HydrophobicContact CG-CB 4.38Å; P31-V154 HydrophobicContact CG-CG2 4.4Å; E128-V154 HydrophobicContact CG-CG1 4.5Å; E128-V154 HydrophobicContact CG-CG2 3.58Å; V129-V154 WeakPolarHBondContact O-CG2 3.15Å; V129-V154 PolarHBondContact O-N 2.95Å; V130-V154 HydrophobicContact CG2-CG2 3.91Å; L152-V154 PolarHBondContact O-N 3.14Å
155	K	97.8	Very high	97.1	Very high	95 Å²	95	62.1 Å²	62.1	41%	0.413	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	140.5	180	-165.2	63.7	174	-176.8	0	110.1	V130 L131 F153 F157 Y195	V130-K155 WeakPolarHBondContact CA-O 3.15Å; V130-K155 HydrophobicContact CG1-CB 4.39Å; V130-K155 HydrophobicContact CG2-CB 4.38Å; L131-K155 PolarHBondContact N-O 2.8Å; F153-K155 PolarHBondContact O-N 3.28Å; K155-F157 HydrophobicContact CB-CE2 4.01Å; K155-F157 HydrophobicContact CB-CZ 4.37Å; K155-F157 HydrophobicContact CD-CE1 4.35Å; K155-F157 HydrophobicContact CD-CZ 4.14Å; K155-F157 HydrophobicContact CG-CD1 4.37Å; K155-F157 HydrophobicContact CG-CD2 3.91Å; K155-F157 HydrophobicContact CG-CE1 3.84Å; K155-F157 HydrophobicContact CG-CE2 3.29Å; K155-F157 HydrophobicContact CG-CG 4.44Å; K155-F157 HydrophobicContact CG-CZ 3.26Å; K155-Y195 HydrophobicContact CB-CE2 4.29Å; K155-Y195 HydrophobicContact CG-CE2 4.32Å
156	I	98.6	Very high	96.7	Very high	28 Å²	28	60 Å²	60	14%	0.144	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.4	174.7	-58.9	177.9	0	0	0	106.1	L131 I140 L144 F153 T158	L131-I156 HydrophobicContact CB-CG1 4.2Å; L131-I156 HydrophobicContact CB-CG2 4.38Å; L131-I156 HydrophobicContact CD2-CG2 4.27Å; L131-I156 CarbonylContact O-C 3.59Å; L131-I156 WeakPolarHBondContact O-CA 3.24Å; I140-I156 HydrophobicContact CG2-CD1 4.08Å; I140-I156 HydrophobicContact CG2-CG2 3.95Å; L144-I156 HydrophobicContact CD1-CD1 3.64Å; F153-I156 HydrophobicContact CB-CD1 4.38Å; F153-I156 HydrophobicContact CB-CG1 4.04Å; I156-T158 HydrophobicContact CG2-CG2 4.01Å
157	F	98.7	Very high	96.3	Very high	26 Å²	26	54.6 Å²	54.6	11%	0.114	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118	174.4	-61	-77.9	0	0	0	107.7	V130 L131 V132 S133 K155 F174 M186 I191 Y195	V130-F157 HydrophobicContact CG1-CD2 3.78Å; V130-F157 HydrophobicContact CG1-CE2 3.8Å; L131-F157 PolarHBondContact O-N 2.78Å; V132-F157 WeakPolarHBondContact CA-O 3.38Å; V132-F157 HydrophobicContact CG1-CB 4.44Å; V132-F157 HydrophobicContact CG2-CB 4.26Å; V132-F157 HydrophobicContact CG2-CD2 3.89Å; S133-F157 PolarHBondContact N-O 3.21Å; K155-F157 HydrophobicContact CB-CE2 4.01Å; K155-F157 HydrophobicContact CB-CZ 4.37Å; K155-F157 HydrophobicContact CD-CE1 4.35Å; K155-F157 HydrophobicContact CD-CZ 4.14Å; K155-F157 HydrophobicContact CG-CD1 4.37Å; K155-F157 HydrophobicContact CG-CD2 3.91Å; K155-F157 HydrophobicContact CG-CE1 3.84Å; K155-F157 HydrophobicContact CG-CE2 3.29Å; K155-F157 HydrophobicContact CG-CG 4.44Å; K155-F157 HydrophobicContact CG-CZ 3.26Å; F157-F174 HydrophobicContact CB-CE2 4.21Å; F157-F174 HydrophobicContact CB-CZ 4.19Å; F157-F174 HydrophobicContact CD1-CE1 4.48Å; F157-F174 AromaticContact CD1-CE2 3.97Å; F157-F174 HydrophobicContact CD1-CE2 3.97Å; F157-F174 AromaticContact CD1-CZ 3.54Å; F157-F174 HydrophobicContact CD1-CZ 3.54Å; F157-F174 HydrophobicContact CE1-CZ 4.38Å; F157-F174 HydrophobicContact CG-CZ 4.34Å; F157-M186 HydrophobicContact CB-CE 4.24Å; F157-M186 WeakPolarHBondContact O-CE 3.42Å; F157-I191 HydrophobicContact CB-CD1 4.4Å; F157-I191 HydrophobicContact CB-CG2 3.81Å; F157-I191 HydrophobicContact CD1-CG2 3.98Å; F157-I191 HydrophobicContact CD2-CG2 3.73Å; F157-I191 HydrophobicContact CE1-CG2 4.43Å; F157-I191 HydrophobicContact CE2-CG2 4.2Å; F157-I191 HydrophobicContact CG-CG2 3.58Å; F157-Y195 AromaticContact CE2-CD2 3.64Å; F157-Y195 HydrophobicContact CE2-CD2 3.64Å; F157-Y195 AromaticContact CE2-CE2 3.95Å; F157-Y195 HydrophobicContact CE2-CE2 3.95Å; F157-Y195 HydrophobicContact CE2-CG 4.18Å; F157-Y195 AromaticContact CZ-CD2 3.5Å; F157-Y195 HydrophobicContact CZ-CD2 3.5Å; F157-Y195 AromaticContact CZ-CE2 3.94Å; F157-Y195 HydrophobicContact CZ-CE2 3.94Å; F157-Y195 HydrophobicContact CZ-CG 4.32Å
158	T	98.3	Very high	96.1	Very high	5 Å²	5	55.9 Å²	55.9	3%	0.031	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.2	165.9	-175.6	-169.7	0	0	0	0	110.7	S133 A135 N136 T137 I140 I156 P160 F174	S133-T158 WeakPolarHBondContact O-CA 3.24Å; S133-T158 VanDerWaalsContact O-CB 3.25Å; S133-T158 WeakPolarHBondContact O-CB 3.37Å; S133-T158 PolarHBondContact O-OG1 2.59Å; A135-T158 PolarHBondContact O-OG1 3.07Å; N136-T158 PolarHBondContact N-OG1 3.44Å; T137-T158 HydrophobicContact CG2-CG2 3.44Å; T137-T158 VanDerWaalsContact CG2-CG2 3.44Å; I140-T158 HydrophobicContact CD1-CG2 3.88Å; I140-T158 WeakPolarHBondContact CD1-OG1 3.46Å; I156-T158 HydrophobicContact CG2-CG2 4.01Å; T158-P160 WeakPolarHBondContact O-CD 3.4Å; T158-F174 WeakPolarHBondContact O-CD2 3.33Å
159	N	96.8	Very high	96	Very high	1 Å²	1	54 Å²	54	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.3	124.6	-179.6	-60.6	-66.7	0	0	0	111	D134 A135 N136 T137 A161 R172 F174 N185	D134-N159 PolarHBondContact O-ND2 3.33Å; D134-N159 PolarHBondContact OD1-ND2 3.04Å; A135-N159 VanDerWaalsContact O-CB 3.28Å; A135-N159 WeakPolarHBondContact O-CB 3.25Å; A135-N159 PolarHBondContact O-N 3.2Å; A135-N159 PolarHBondContact O-ND2 3.23Å; N136-N159 CarbonylContact C-O 3.54Å; N136-N159 VanDerWaalsContact CA-O 3.22Å; N136-N159 WeakPolarHBondContact CA-O 3.31Å; N136-N159 WeakPolarHBondContact CB-O 3.4Å; T137-N159 PolarHBondContact N-O 3.08Å; N159-A161 PolarHBondContact O-N 3.23Å; N159-R172 WeakPolarHBondContact CB-O 3.21Å; N159-F174 PolarHBondContact OD1-N 3.15Å; N159-N185 PolarHBondContact ND2-ND2 2.85Å; N159-N185 PolarHBondContact OD1-ND2 2.89Å
160	P	96.5	Very high	95.9	Very high	32 Å²	32	55.8 Å²	55.8	21%	0.208	28%	0.281	C	S	.	.			trans	-60.6	131.1	176.3	-25.7	34.7	0	0	0	112.2	T158 R172	T158-P160 WeakPolarHBondContact O-CD 3.4Å; P160-R172 HydrophobicContact CB-CB 4.42Å; P160-R172 VanDerWaalsContact CD-O 3.29Å; P160-R172 WeakPolarHBondContact CD-O 3.1Å; P160-R172 PolarHBondContact O-N 2.73Å
161	A	96.2	Very high	95.7	Very high	8 Å²	8	53.1 Å²	53.1	7%	0.066	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	124.4	179.7	0	0	0	0	0	110.2	N136 T137 F138 N159 L169 V170 L171	N136-A161 HydrophobicContact CB-CB 3.63Å; N136-A161 VanDerWaalsContact OD1-CB 3.27Å; N136-A161 WeakPolarHBondContact OD1-CB 3.23Å; T137-A161 PolarHBondContact OG1-N 3.49Å; T137-A161 PolarHBondContact OG1-O 3.26Å; F138-A161 HydrophobicContact CB-CB 3.86Å; N159-A161 PolarHBondContact O-N 3.23Å; A161-L169 HydrophobicContact CB-CD1 3.89Å; A161-L169 HydrophobicContact CB-CG 4.4Å; A161-V170 WeakPolarHBondContact CA-O 3.44Å; A161-L171 HydrophobicContact CB-CD2 3.97Å
162	T	95.9	Very high	95.5	Very high	78 Å²	78	51 Å²	51	48%	0.479	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	143.6	175.9	51.8	0	0	0	0	110.8	V170	T162-V170 PolarHBondContact N-O 3.3Å; T162-V170 PolarHBondContact O-N 3.24Å
163	F	96.6	Very high	95.3	Very high	48 Å²	48	53.8 Å²	53.8	21%	0.211	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	131.8	169.9	-72.8	-89.4	0	0	0	110.5	E96 I99 F138 G167 R168 L169	E96-F163 HydrophobicContact CB-CD1 4.29Å; E96-F163 HydrophobicContact CB-CD2 4.38Å; E96-F163 HydrophobicContact CB-CE1 3.8Å; E96-F163 HydrophobicContact CB-CE2 3.92Å; E96-F163 HydrophobicContact CB-CZ 3.6Å; E96-F163 VanDerWaalsContact CD-CE2 3.43Å; E96-F163 HydrophobicContact CG-CD2 3.95Å; E96-F163 HydrophobicContact CG-CE1 4.21Å; E96-F163 HydrophobicContact CG-CE2 3.37Å; E96-F163 HydrophobicContact CG-CZ 3.52Å; I99-F163 HydrophobicContact CD1-CE1 4.18Å; I99-F163 HydrophobicContact CD1-CZ 4.12Å; F138-F163 HydrophobicContact CD1-CE2 4.1Å; F138-F163 HydrophobicContact CD1-CZ 4.44Å; F138-F163 AromaticContact CD2-CE2 3.85Å; F138-F163 HydrophobicContact CD2-CE2 3.85Å; F138-F163 AromaticContact CE1-CE2 3.9Å; F138-F163 HydrophobicContact CE1-CE2 3.9Å; F138-F163 HydrophobicContact CE1-CZ 4.05Å; F138-F163 HydrophobicContact CE2-CD2 4.47Å; F138-F163 AromaticContact CE2-CE2 3.61Å; F138-F163 HydrophobicContact CE2-CE2 3.61Å; F138-F163 HydrophobicContact CE2-CZ 4.46Å; F138-F163 HydrophobicContact CG-CE2 4.1Å; F138-F163 AromaticContact CZ-CE2 3.64Å; F138-F163 HydrophobicContact CZ-CE2 3.64Å; F138-F163 HydrophobicContact CZ-CZ 4.05Å; F163-G167 WeakPolarHBondContact CD1-O 3.25Å; F163-R168 CarbonylContact C-O 3.59Å; F163-R168 VanDerWaalsContact CA-O 3.3Å; F163-R168 WeakPolarHBondContact CA-O 3.11Å; F163-L169 HydrophobicContact CD1-CB 4.29Å; F163-L169 HydrophobicContact CD2-CD1 3.92Å; F163-L169 HydrophobicContact CE1-CB 3.88Å; F163-L169 HydrophobicContact CE1-CD1 4.49Å; F163-L169 HydrophobicContact CE2-CD1 3.68Å; F163-L169 HydrophobicContact CG-CD1 4.41Å; F163-L169 HydrophobicContact CZ-CB 3.99Å; F163-L169 HydrophobicContact CZ-CD1 3.99Å; F163-L169 HydrophobicContact CZ-CG 4.4Å
164	D	94.9	Very high	95.2	Very high	59 Å²	59	56.8 Å²	56.8	32%	0.316	29%	0.288	S	S	.	.			trans	-83.7	179.8	169.3	69	19.5	0	0	0	111.7	D166 G167 R168 V170	D164-D166 PolarHBondContact O-N 2.72Å; D164-D166 WeakPolarHBondContact OD1-CA 3.47Å; D164-D166 PolarHBondContact OD1-N 2.77Å; D164-G167 PolarHBondContact O-N 2.69Å; D164-G167 VanDerWaalsContact O-N 3.15Å; D164-G167 PolarHBondContact OD1-N 2.84Å; D164-R168 PolarHBondContact N-O 3.32Å; D164-R168 WeakPolarHBondContact OD1-CB 3.47Å; D164-R168 PolarHBondContact OD1-N 3.3Å; D164-V170 HydrophobicContact CB-CG2 4.03Å
165	K	92.8	Very high	95.1	Very high	193 Å²	193	56.1 Å²	56.1	84%	0.839	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-21	-179.8	65.4	176.8	-173.6	172.9	0	113.6	G167	K165-G167 VanDerWaalsContact C-N 3.33Å
166	D	88.9	Confident	95	Very high	116 Å²	116	57 Å²	57	62%	0.62	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	7.4	-176.4	-57.1	-49.4	0	0	0	110.7	D164 R168	D164-D166 PolarHBondContact O-N 2.72Å; D164-D166 WeakPolarHBondContact OD1-CA 3.47Å; D164-D166 PolarHBondContact OD1-N 2.77Å; D166-R168 VanDerWaalsContact C-N 3.31Å
167	G	90.7	Very high	94.8	Very high	35 Å²	35	57.6 Å²	57.6	36%	0.361	30%	0.302	S	S	.	.	S	Bend	trans	78.7	12.1	178	0	0	0	0	0	113.8	F163 D164 K165	F163-G167 WeakPolarHBondContact CD1-O 3.25Å; D164-G167 PolarHBondContact O-N 2.69Å; D164-G167 VanDerWaalsContact O-N 3.15Å; D164-G167 PolarHBondContact OD1-N 2.84Å; K165-G167 VanDerWaalsContact C-N 3.33Å
168	R	94.7	Very high	94.6	Very high	78 Å²	78	62.1 Å²	62.1	29%	0.294	34%	0.337	S	S	.	.			trans	-87.2	130.5	177.5	178.5	-177.1	175.1	179.8	-1.4	110.9	Q83 A87 A90 F163 D164 D166 V170	Q83-R168 PolarHBondContact O-NH2 2.77Å; A87-R168 VanDerWaalsContact CB-CZ 3.46Å; A90-R168 HydrophobicContact CB-CB 3.58Å; A90-R168 HydrophobicContact CB-CG 4.07Å; F163-R168 CarbonylContact C-O 3.59Å; F163-R168 VanDerWaalsContact CA-O 3.3Å; F163-R168 WeakPolarHBondContact CA-O 3.11Å; D164-R168 PolarHBondContact N-O 3.32Å; D164-R168 WeakPolarHBondContact OD1-CB 3.47Å; D164-R168 PolarHBondContact OD1-N 3.3Å; D166-R168 VanDerWaalsContact C-N 3.31Å; R168-V170 HydrophobicContact CG-CG2 4.35Å; R168-V170 PolarHBondContact O-N 3.04Å
169	L	96.4	Very high	94.4	Very high	3 Å²	3	63.5 Å²	63.5	2%	0.016	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	108.1	168.3	-174	61.7	0	0	0	109.5	L86 F138 F139 A161 F163	L86-L169 HydrophobicContact CD1-CB 4.22Å; L86-L169 HydrophobicContact CD1-CD2 4.1Å; L86-L169 HydrophobicContact CD1-CG 4.18Å; L86-L169 HydrophobicContact CD2-CB 4.29Å; L86-L169 HydrophobicContact CD2-CD2 4.11Å; F138-L169 HydrophobicContact CB-CD1 4Å; F138-L169 HydrophobicContact CB-CD2 4.41Å; F138-L169 HydrophobicContact CD1-CD1 4.31Å; F138-L169 HydrophobicContact CD1-CD2 3.84Å; F138-L169 HydrophobicContact CG-CD1 4.17Å; F138-L169 HydrophobicContact CG-CD2 4.42Å; F139-L169 HydrophobicContact CD1-CD2 4.48Å; F139-L169 HydrophobicContact CE1-CD2 3.67Å; F139-L169 HydrophobicContact CZ-CD2 4.2Å; A161-L169 HydrophobicContact CB-CD1 3.89Å; A161-L169 HydrophobicContact CB-CG 4.4Å; F163-L169 HydrophobicContact CD1-CB 4.29Å; F163-L169 HydrophobicContact CD2-CD1 3.92Å; F163-L169 HydrophobicContact CE1-CB 3.88Å; F163-L169 HydrophobicContact CE1-CD1 4.49Å; F163-L169 HydrophobicContact CE2-CD1 3.68Å; F163-L169 HydrophobicContact CG-CD1 4.41Å; F163-L169 HydrophobicContact CZ-CB 3.99Å; F163-L169 HydrophobicContact CZ-CD1 3.99Å; F163-L169 HydrophobicContact CZ-CG 4.4Å
170	V	94.9	Very high	94.1	Very high	39 Å²	39	71.9 Å²	71.9	24%	0.236	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	120.8	-178.5	-178.8	0	0	0	0	109.9	A161 T162 D164 R168	A161-V170 WeakPolarHBondContact CA-O 3.44Å; T162-V170 PolarHBondContact N-O 3.3Å; T162-V170 PolarHBondContact O-N 3.24Å; D164-V170 HydrophobicContact CB-CG2 4.03Å; R168-V170 HydrophobicContact CG-CG2 4.35Å; R168-V170 PolarHBondContact O-N 3.04Å
171	L	92.9	Very high	93.7	Very high	10 Å²	10	78.2 Å²	78.2	5%	0.052	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	140	174.5	-62.5	172.4	0	0	0	110.7	M82 Q83 L86 N136 A161	M82-L171 HydrophobicContact CB-CD1 4.11Å; Q83-L171 HydrophobicContact CG-CB 3.94Å; Q83-L171 HydrophobicContact CG-CD1 4.23Å; Q83-L171 HydrophobicContact CG-CG 4.49Å; L86-L171 HydrophobicContact CD1-CD1 3.56Å; L86-L171 HydrophobicContact CD1-CD2 4.3Å; L86-L171 HydrophobicContact CD1-CG 3.7Å; N136-L171 HydrophobicContact CB-CD2 3.43Å; N136-L171 VanDerWaalsContact CB-CD2 3.43Å; A161-L171 HydrophobicContact CB-CD2 3.97Å
172	R	92.4	Very high	93.5	Very high	141 Å²	141	78.7 Å²	78.7	53%	0.532	41%	0.413	S	S	.	.			trans	-126.6	149.6	171.4	-68.6	-175.5	-69.8	132.9	-2.7	110.1	N159 P160	N159-R172 WeakPolarHBondContact CB-O 3.21Å; P160-R172 HydrophobicContact CB-CB 4.42Å; P160-R172 VanDerWaalsContact CD-O 3.29Å; P160-R172 WeakPolarHBondContact CD-O 3.1Å; P160-R172 PolarHBondContact O-N 2.73Å
173	P	93.4	Very high	93.2	Very high	79 Å²	79	76.8 Å²	76.8	51%	0.513	40%	0.402	S	S	.	.			trans	-60.8	143.9	173.6	27.5	-35.1	0	0	0	110.5	N185	P173-N185 HydrophobicContact CB-CB 3.73Å
174	F	95.5	Very high	92.9	Very high	66 Å²	66	82 Å²	82	29%	0.289	43%	0.426	S	S	.	.	S	Bend	trans	-67.1	-47	176.1	176.2	-97.5	0	0	0	111.4	F157 T158 N159 N185 M186 I191	F157-F174 HydrophobicContact CB-CE2 4.21Å; F157-F174 HydrophobicContact CB-CZ 4.19Å; F157-F174 HydrophobicContact CD1-CE1 4.48Å; F157-F174 AromaticContact CD1-CE2 3.97Å; F157-F174 HydrophobicContact CD1-CE2 3.97Å; F157-F174 AromaticContact CD1-CZ 3.54Å; F157-F174 HydrophobicContact CD1-CZ 3.54Å; F157-F174 HydrophobicContact CE1-CZ 4.38Å; F157-F174 HydrophobicContact CG-CZ 4.34Å; T158-F174 WeakPolarHBondContact O-CD2 3.33Å; N159-F174 PolarHBondContact OD1-N 3.15Å; F174-N185 PolarHBondContact N-O 2.79Å; F174-M186 HydrophobicContact CB-CB 4.42Å; F174-M186 HydrophobicContact CB-CE 4.42Å; F174-M186 HydrophobicContact CB-CG 4.15Å; F174-M186 HydrophobicContact CB-SD 4.32Å; F174-M186 HydrophobicContact CD1-CE 4.28Å; F174-M186 HydrophobicContact CD1-CG 4.39Å; F174-M186 HydrophobicContact CG-CE 4.17Å; F174-I191 HydrophobicContact CD1-CD1 3.52Å; F174-I191 HydrophobicContact CD1-CG1 4.09Å; F174-I191 HydrophobicContact CE1-CD1 3.51Å; F174-I191 HydrophobicContact CE1-CG1 3.67Å; F174-I191 HydrophobicContact CG-CD1 4.42Å; F174-I191 HydrophobicContact CZ-CD1 4.38Å
175	H	95.1	Very high	92.8	Very high	39 Å²	39	79.8 Å²	79.8	18%	0.181	42%	0.415	C	S	.	.			trans	-154.5	175.5	176	66.4	-167	0	0	0	111.6	H177 N185 C187	H175-H177 AromaticContact CD2-CD2 3.64Å; H175-H177 AromaticContact NE2-CD2 3.43Å; H175-H177 PolarHBondContact NE2-CD2 3.16Å; H175-N185 PolarHBondContact N-O 3.08Å; H175-N185 CarbonylContact O-C 3.59Å; H175-N185 VanDerWaalsContact O-O 3.12Å; H175-C187 PolarHBondContact NE2-N 3.46Å
176	S	94.1	Very high	92.9	Very high	114 Å²	114	70.8 Å²	70.8	80%	0.797	38%	0.376	S	S	*	.			trans	-103.1	147.4	166.6	-57	0	0	0	0	110.2
177	H	94.6	Very high	93.3	Very high	40 Å²	40	65.3 Å²	65.3	19%	0.185	35%	0.346	C	S	.	.			trans	-154	168.3	179.5	63	71.9	0	0	0	112.4	H175 C179 P183 M186 C187 V190	H175-H177 AromaticContact CD2-CD2 3.64Å; H175-H177 AromaticContact NE2-CD2 3.43Å; H175-H177 PolarHBondContact NE2-CD2 3.16Å; H177-C179 PolarHBondContact ND1-N 3.07Å; H177-C179 VanDerWaalsContact ND1-N 3.18Å; H177-P183 PolarHBondContact CE1-O 3.34Å; H177-P183 VanDerWaalsContact CE1-O 3.32Å; H177-P183 PolarHBondContact NE2-O 2.81Å; H177-M186 VanDerWaalsContact NE2-C 3.27Å; H177-M186 PolarHBondContact NE2-O 3.49Å; H177-C187 HydrophobicContact CB-CB 4.32Å; H177-C187 VanDerWaalsContact CD2-CB 3.43Å; H177-C187 WeakPolarHBondContact CD2-CB 3.39Å; H177-C187 PolarHBondContact CD2-N 3.18Å; H177-C187 PolarHBondContact NE2-N 2.84Å; H177-V190 HydrophobicContact CB-CG2 4.49Å
178	S	94.3	Very high	93.6	Very high	120 Å²	120	63.9 Å²	63.9	84%	0.839	33%	0.33	S	S	*	.			trans	-106.7	12.9	177.5	-47.8	0	0	0	0	113.9	L180	S178-L180 PolarHBondContact O-N 2.83Å
179	C	93.9	Very high	93.8	Very high	34 Å²	34	62 Å²	62	23%	0.23	33%	0.325	C	S	.	.			trans	-66.7	123.2	175.2	-175.1	0	0	0	0	111	H177 R181 C182 C187	H177-C179 PolarHBondContact ND1-N 3.07Å; H177-C179 VanDerWaalsContact ND1-N 3.18Å; C179-R181 VanDerWaalsContact C-N 3.3Å; C179-R181 PolarHBondContact O-N 3.11Å; C179-C182 HydrophobicContact CB-CB 4.27Å; C179-C182 VanDerWaalsContact SG-SG 3.7Å; C179-C187 HydrophobicContact CB-CB 4.2Å
180	L	91.4	Very high	93.9	Very high	178 Å²	178	62.9 Å²	62.9	93%	0.932	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-7.6	-179.9	-57.7	178.2	0	0	0	114	S178	S178-L180 PolarHBondContact O-N 2.83Å
181	R	88.9	Confident	94	Very high	165 Å²	165	61.4 Å²	61.4	62%	0.623	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.9	-16.3	-177.2	-70.9	177.2	160.5	-127.7	-0.5	113.7	C179	C179-R181 VanDerWaalsContact C-N 3.3Å; C179-R181 PolarHBondContact O-N 3.11Å
182	C	91.6	Very high	94.3	Very high	18 Å²	18	61.2 Å²	61.2	12%	0.122	32%	0.32	C	S	.	.	S	Bend	trans	-108.8	151.4	-172.5	-67.2	0	0	0	0	110.3	C179 C187	C179-C182 HydrophobicContact CB-CB 4.27Å; C179-C182 VanDerWaalsContact SG-SG 3.7Å; C182-C187 HydrophobicContact CB-CB 3.93Å
183	P	89.9	Confident	94.6	Very high	38 Å²	38	59.3 Å²	59.3	25%	0.247	31%	0.313	C	S	.	.			trans	-62.3	150.6	173.4	31.3	-37.1	0	0	0	110.2	H177 N185 M186	H177-P183 PolarHBondContact CE1-O 3.34Å; H177-P183 VanDerWaalsContact CE1-O 3.32Å; H177-P183 PolarHBondContact NE2-O 2.81Å; P183-N185 WeakPolarHBondContact CB-OD1 3.47Å; P183-N185 PolarHBondContact O-N 2.81Å; P183-M186 PolarHBondContact O-N 2.93Å
184	E	90.1	Very high	94.8	Very high	156 Å²	156	59.1 Å²	59.1	73%	0.729	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.3	-25.7	-168.4	-62.9	-173.6	161.1	0	0	114.9
185	N	91.9	Very high	94.9	Very high	14 Å²	14	56.3 Å²	56.3	8%	0.075	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-21.7	-172.3	67.5	-76.1	0	0	0	113.6	N79 D134 N159 P173 F174 H175 P183	N79-N185 PolarHBondContact ND2-ND2 2.87Å; N79-N185 PolarHBondContact ND2-OD1 2.94Å; D134-N185 PolarHBondContact OD1-ND2 3.5Å; N159-N185 PolarHBondContact ND2-ND2 2.85Å; N159-N185 PolarHBondContact OD1-ND2 2.89Å; P173-N185 HydrophobicContact CB-CB 3.73Å; F174-N185 PolarHBondContact N-O 2.79Å; H175-N185 PolarHBondContact N-O 3.08Å; H175-N185 CarbonylContact O-C 3.59Å; H175-N185 VanDerWaalsContact O-O 3.12Å; P183-N185 WeakPolarHBondContact CB-OD1 3.47Å; P183-N185 PolarHBondContact O-N 2.81Å
186	M	94.6	Very high	95	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.02	30%	0.297	C	S	.	.			trans	-164.4	135.6	-173.1	-164.7	176.8	-164	0	0	113	V132 S133 D134 F157 F174 H177 P183 I191	V132-M186 HydrophobicContact CG1-CE 3.92Å; S133-M186 WeakPolarHBondContact O-CE 3.41Å; D134-M186 HydrophobicContact CB-SD 4.45Å; F157-M186 HydrophobicContact CB-CE 4.24Å; F157-M186 WeakPolarHBondContact O-CE 3.42Å; F174-M186 HydrophobicContact CB-CB 4.42Å; F174-M186 HydrophobicContact CB-CE 4.42Å; F174-M186 HydrophobicContact CB-CG 4.15Å; F174-M186 HydrophobicContact CB-SD 4.32Å; F174-M186 HydrophobicContact CD1-CE 4.28Å; F174-M186 HydrophobicContact CD1-CG 4.39Å; F174-M186 HydrophobicContact CG-CE 4.17Å; H177-M186 VanDerWaalsContact NE2-C 3.27Å; H177-M186 PolarHBondContact NE2-O 3.49Å; P183-M186 PolarHBondContact O-N 2.93Å; M186-I191 HydrophobicContact CE-CD1 3.13Å; M186-I191 HydrophobicContact CG-CD1 3.7Å; M186-I191 HydrophobicContact SD-CD1 4.23Å
187	C	97.3	Very high	95.2	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	28%	0.283	C	S	.	.			trans	-125.9	107.7	170.1	177.6	0	0	0	0	109.1	H175 H177 C179 C182 Q189 V190 I191	H175-C187 PolarHBondContact NE2-N 3.46Å; H177-C187 HydrophobicContact CB-CB 4.32Å; H177-C187 VanDerWaalsContact CD2-CB 3.43Å; H177-C187 WeakPolarHBondContact CD2-CB 3.39Å; H177-C187 PolarHBondContact CD2-N 3.18Å; H177-C187 PolarHBondContact NE2-N 2.84Å; C179-C187 HydrophobicContact CB-CB 4.2Å; C182-C187 HydrophobicContact CB-CB 3.93Å; C187-Q189 PolarHBondContact O-N 2.93Å; C187-V190 HydrophobicContact CB-CB 4.25Å; C187-V190 HydrophobicContact CB-CG2 4.07Å; C187-V190 PolarHBondContact O-N 3.02Å; C187-I191 WeakPolarHBondContact O-CG1 3.27Å; C187-I191 PolarHBondContact O-N 2.68Å
188	K	98.1	Very high	95.3	Very high	5 Å²	5	58.2 Å²	58.2	2%	0.022	29%	0.291	C	S	.	.	H	α-helix	trans	-60.8	-31.1	-178.4	-55.9	-167.5	-169.5	178.6	0	112.5	D42 V132 I191 L192 Y212 N218 D219 P222	D42-K188 IonicContact OD1-NZ 3.98Å; D42-K188 PolarHBondContact OD1-NZ 3.46Å; D42-K188 IonicContact OD2-NZ 3.94Å; D42-K188 PolarHBondContact OD2-NZ 3.3Å; V132-K188 HydrophobicContact CG1-CB 3.85Å; V132-K188 HydrophobicContact CG1-CD 4.16Å; V132-K188 HydrophobicContact CG1-CG 3.81Å; K188-I191 PolarHBondContact O-N 3.3Å; K188-L192 WeakPolarHBondContact O-CB 3.34Å; K188-L192 PolarHBondContact O-N 3.06Å; K188-Y212 VanDerWaalsContact CD-OH 3.24Å; K188-Y212 WeakPolarHBondContact CD-OH 3.43Å; K188-N218 WeakPolarHBondContact CE-ND2 3.42Å; K188-N218 PolarHBondContact NZ-ND2 3.11Å; K188-D219 WeakPolarHBondContact CD-OD1 3.31Å; K188-D219 IonicContact NZ-OD1 3.71Å; K188-D219 PolarHBondContact NZ-OD1 3.39Å; K188-D219 IonicContact NZ-OD2 3.97Å; K188-P222 HydrophobicContact CB-CB 4.14Å; K188-P222 HydrophobicContact CB-CG 3.7Å
189	Q	98.1	Very high	95.3	Very high	39 Å²	39	52.6 Å²	52.6	18%	0.182	25%	0.251	C	S	.	.	H	α-helix	trans	-64.2	-44.6	175.9	-170.3	-167.4	-78.5	0	0	112.7	C187 I191 L192 R193 C221 P222 I225	C187-Q189 PolarHBondContact O-N 2.93Å; Q189-I191 VanDerWaalsContact C-N 3.32Å; Q189-L192 PolarHBondContact O-N 2.9Å; Q189-R193 WeakPolarHBondContact O-CB 3.24Å; Q189-R193 PolarHBondContact O-N 2.76Å; Q189-C221 HydrophobicContact CB-CB 4.32Å; Q189-C221 VanDerWaalsContact CB-SG 3.54Å; Q189-C221 PolarHBondContact OE1-O 3.32Å; Q189-C221 PolarHBondContact OE1-SG 3.3Å; Q189-P222 HydrophobicContact CB-CB 4.41Å; Q189-I225 HydrophobicContact CG-CB 4.4Å; Q189-I225 HydrophobicContact CG-CD1 3.89Å; Q189-I225 HydrophobicContact CG-CG1 3.98Å; Q189-I225 HydrophobicContact CG-CG2 3.54Å
190	V	98.3	Very high	95.4	Very high	22 Å²	22	52.9 Å²	52.9	13%	0.133	25%	0.252	C	S	.	.	H	α-helix	trans	-61.2	-46.1	177.4	168.2	0	0	0	0	109.6	H177 C187 L192 R193 D194	H177-V190 HydrophobicContact CB-CG2 4.49Å; C187-V190 HydrophobicContact CB-CB 4.25Å; C187-V190 HydrophobicContact CB-CG2 4.07Å; C187-V190 PolarHBondContact O-N 3.02Å; V190-L192 PolarHBondContact O-N 3.39Å; V190-R193 PolarHBondContact O-N 2.96Å; V190-D194 WeakPolarHBondContact O-CB 3.26Å; V190-D194 PolarHBondContact O-N 3.47Å
191	I	98.6	Very high	95.5	Very high	8 Å²	8	51.5 Å²	51.5	4%	0.041	24%	0.241	C	C	.	.	H	α-helix	trans	-60.4	-48.6	178.7	-62.7	168.9	0	0	0	111.2	V132 F157 F174 M186 C187 K188 Q189 D194 Y195	V132-I191 HydrophobicContact CG1-CB 4.28Å; V132-I191 HydrophobicContact CG1-CD1 4.05Å; V132-I191 HydrophobicContact CG1-CG2 4.04Å; V132-I191 HydrophobicContact CG2-CG2 3.99Å; F157-I191 HydrophobicContact CB-CD1 4.4Å; F157-I191 HydrophobicContact CB-CG2 3.81Å; F157-I191 HydrophobicContact CD1-CG2 3.98Å; F157-I191 HydrophobicContact CD2-CG2 3.73Å; F157-I191 HydrophobicContact CE1-CG2 4.43Å; F157-I191 HydrophobicContact CE2-CG2 4.2Å; F157-I191 HydrophobicContact CG-CG2 3.58Å; F174-I191 HydrophobicContact CD1-CD1 3.52Å; F174-I191 HydrophobicContact CD1-CG1 4.09Å; F174-I191 HydrophobicContact CE1-CD1 3.51Å; F174-I191 HydrophobicContact CE1-CG1 3.67Å; F174-I191 HydrophobicContact CG-CD1 4.42Å; F174-I191 HydrophobicContact CZ-CD1 4.38Å; M186-I191 HydrophobicContact CE-CD1 3.13Å; M186-I191 HydrophobicContact CG-CD1 3.7Å; M186-I191 HydrophobicContact SD-CD1 4.23Å; C187-I191 WeakPolarHBondContact O-CG1 3.27Å; C187-I191 PolarHBondContact O-N 2.68Å; K188-I191 PolarHBondContact O-N 3.3Å; Q189-I191 VanDerWaalsContact C-N 3.32Å; I191-D194 PolarHBondContact O-N 2.87Å; I191-Y195 WeakPolarHBondContact O-CB 3.45Å; I191-Y195 PolarHBondContact O-N 3.41Å
192	L	98.4	Very high	95.8	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.026	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-49	179.8	176.2	59.9	0	0	0	111.3	L38 I40 K188 Q189 V190 Y195 V196 V210 Y212 P222 I225 L226	L38-L192 HydrophobicContact CD2-CD1 4.48Å; I40-L192 HydrophobicContact CD1-CD1 3.58Å; I40-L192 HydrophobicContact CG1-CD1 3.97Å; K188-L192 WeakPolarHBondContact O-CB 3.34Å; K188-L192 PolarHBondContact O-N 3.06Å; Q189-L192 PolarHBondContact O-N 2.9Å; V190-L192 PolarHBondContact O-N 3.39Å; L192-Y195 PolarHBondContact O-N 2.83Å; L192-V196 HydrophobicContact CD1-CG2 3.95Å; L192-V196 WeakPolarHBondContact O-CB 3.35Å; L192-V196 WeakPolarHBondContact O-CG2 3.32Å; L192-V196 PolarHBondContact O-N 3.42Å; L192-V210 HydrophobicContact CD1-CG1 4.41Å; L192-Y212 HydrophobicContact CD2-CD2 4.1Å; L192-P222 HydrophobicContact CB-CB 4.49Å; L192-P222 HydrophobicContact CD2-CB 3.93Å; L192-I225 HydrophobicContact CB-CD1 4.16Å; L192-I225 HydrophobicContact CD2-CD1 3.93Å; L192-I225 HydrophobicContact CD2-CG1 4.08Å; L192-I225 HydrophobicContact CG-CD1 3.93Å; L192-L226 HydrophobicContact CD2-CD2 4.12Å
193	R	98.3	Very high	95.8	Very high	102 Å²	102	47.8 Å²	47.8	39%	0.385	23%	0.228	S	C	.	.	H	α-helix	trans	-58.3	-52.7	178.6	179.8	-170.8	62	-141.6	-5.7	111.1	Q189 V190 Y195 V196 M197 I225	Q189-R193 WeakPolarHBondContact O-CB 3.24Å; Q189-R193 PolarHBondContact O-N 2.76Å; V190-R193 PolarHBondContact O-N 2.96Å; R193-Y195 VanDerWaalsContact C-N 3.28Å; R193-Y195 PolarHBondContact O-N 3.38Å; R193-V196 PolarHBondContact O-N 3.23Å; R193-M197 HydrophobicContact CG-CG 4.42Å; R193-M197 HydrophobicContact CG-SD 3.82Å; R193-M197 WeakPolarHBondContact O-CB 3.13Å; R193-M197 VanDerWaalsContact O-CG 3.28Å; R193-M197 WeakPolarHBondContact O-CG 3.23Å; R193-M197 PolarHBondContact O-N 2.98Å; R193-I225 HydrophobicContact CB-CD1 3.83Å
194	D	98.1	Very high	96	Very high	75 Å²	75	49.3 Å²	49.3	40%	0.401	25%	0.251	S	S	.	.	H	α-helix	trans	-66	-36.4	-174.9	-62.5	-1.8	0	0	0	110.4	V190 I191 R198	V190-D194 WeakPolarHBondContact O-CB 3.26Å; V190-D194 PolarHBondContact O-N 3.47Å; I191-D194 PolarHBondContact O-N 2.87Å; D194-R198 VanDerWaalsContact O-CB 3.29Å; D194-R198 WeakPolarHBondContact O-CB 3.25Å; D194-R198 PolarHBondContact O-N 2.77Å
195	Y	98	Very high	96.2	Very high	7 Å²	7	46.3 Å²	46.3	3%	0.027	23%	0.233	C	C	.	.	H	α-helix	trans	-64	-50.5	173.8	-173	-102.4	0	0	0	112.7	L38 E128 V130 K155 F157 I191 L192 R193 M197 R198 R199	L38-Y195 HydrophobicContact CD1-CD1 4.46Å; L38-Y195 HydrophobicContact CD1-CE1 3.8Å; L38-Y195 HydrophobicContact CD2-CD1 3.99Å; L38-Y195 HydrophobicContact CD2-CE1 4.09Å; E128-Y195 PolarHBondContact OE1-OH 2.92Å; V130-Y195 HydrophobicContact CG2-CE1 3.67Å; V130-Y195 HydrophobicContact CG2-CE2 4.48Å; V130-Y195 VanDerWaalsContact CG2-OH 3.24Å; V130-Y195 WeakPolarHBondContact CG2-OH 3.34Å; K155-Y195 HydrophobicContact CB-CE2 4.29Å; K155-Y195 HydrophobicContact CG-CE2 4.32Å; F157-Y195 AromaticContact CE2-CD2 3.64Å; F157-Y195 HydrophobicContact CE2-CD2 3.64Å; F157-Y195 AromaticContact CE2-CE2 3.95Å; F157-Y195 HydrophobicContact CE2-CE2 3.95Å; F157-Y195 HydrophobicContact CE2-CG 4.18Å; F157-Y195 AromaticContact CZ-CD2 3.5Å; F157-Y195 HydrophobicContact CZ-CD2 3.5Å; F157-Y195 AromaticContact CZ-CE2 3.94Å; F157-Y195 HydrophobicContact CZ-CE2 3.94Å; F157-Y195 HydrophobicContact CZ-CG 4.32Å; I191-Y195 WeakPolarHBondContact O-CB 3.45Å; I191-Y195 PolarHBondContact O-N 3.41Å; L192-Y195 PolarHBondContact O-N 2.83Å; R193-Y195 VanDerWaalsContact C-N 3.28Å; R193-Y195 PolarHBondContact O-N 3.38Å; Y195-M197 VanDerWaalsContact C-N 3.34Å; Y195-M197 PolarHBondContact O-N 2.94Å; Y195-R198 PolarHBondContact O-N 3.24Å; Y195-R199 HydrophobicContact CD1-CG 4.03Å; Y195-R199 HydrophobicContact CD2-CG 4.33Å; Y195-R199 HydrophobicContact CE1-CG 3.69Å; Y195-R199 HydrophobicContact CE2-CG 4.07Å; Y195-R199 HydrophobicContact CG-CG 4.36Å; Y195-R199 WeakPolarHBondContact O-CB 3.31Å; Y195-R199 VanDerWaalsContact O-CG 3.3Å; Y195-R199 WeakPolarHBondContact O-CG 3.46Å; Y195-R199 PolarHBondContact O-N 3.35Å
196	V	97.4	Very high	96.3	Very high	37 Å²	37	49.7 Å²	49.7	22%	0.224	26%	0.256	C	S	.	.	H	α-helix	trans	-62.2	-42.5	179.6	169.4	0	0	0	0	111	L38 L192 R193 R199 T200	L38-V196 HydrophobicContact CD2-CG2 3.73Å; L192-V196 HydrophobicContact CD1-CG2 3.95Å; L192-V196 WeakPolarHBondContact O-CB 3.35Å; L192-V196 WeakPolarHBondContact O-CG2 3.32Å; L192-V196 PolarHBondContact O-N 3.42Å; R193-V196 PolarHBondContact O-N 3.23Å; V196-R199 PolarHBondContact O-N 3.01Å; V196-T200 VanDerWaalsContact O-CB 3.3Å; V196-T200 WeakPolarHBondContact O-CB 3.26Å; V196-T200 PolarHBondContact O-N 2.97Å; V196-T200 PolarHBondContact O-OG1 2.9Å
197	M	97.3	Very high	96.4	Very high	101 Å²	101	50.4 Å²	50.4	50%	0.498	26%	0.259	S	S	.	.	H	α-helix	trans	-60.3	-52	176.2	-75.1	178.5	62.4	0	0	111.4	R193 Y195 R199 T200 Q201	R193-M197 HydrophobicContact CG-CG 4.42Å; R193-M197 HydrophobicContact CG-SD 3.82Å; R193-M197 WeakPolarHBondContact O-CB 3.13Å; R193-M197 VanDerWaalsContact O-CG 3.28Å; R193-M197 WeakPolarHBondContact O-CG 3.23Å; R193-M197 PolarHBondContact O-N 2.98Å; Y195-M197 VanDerWaalsContact C-N 3.34Å; Y195-M197 PolarHBondContact O-N 2.94Å; M197-R199 PolarHBondContact O-N 2.89Å; M197-T200 WeakPolarHBondContact O-CB 3.26Å; M197-T200 PolarHBondContact O-N 2.8Å; M197-Q201 WeakPolarHBondContact O-CG 3.31Å; M197-Q201 PolarHBondContact O-N 2.77Å; M197-Q201 VanDerWaalsContact O-N 3.11Å
198	R	96.6	Very high	96.3	Very high	95 Å²	95	55 Å²	55	36%	0.358	28%	0.28	S	S	.	.	H	α-helix	trans	-59.8	-47.1	178.5	-175.7	-172.1	63.9	88.5	8.4	111.6	D194 Y195 T200 Q201 E202	D194-R198 VanDerWaalsContact O-CB 3.29Å; D194-R198 WeakPolarHBondContact O-CB 3.25Å; D194-R198 PolarHBondContact O-N 2.77Å; Y195-R198 PolarHBondContact O-N 3.24Å; R198-T200 VanDerWaalsContact C-N 3.3Å; R198-T200 PolarHBondContact O-N 2.82Å; R198-Q201 WeakPolarHBondContact O-CB 3.32Å; R198-Q201 PolarHBondContact O-N 3.11Å; R198-E202 WeakPolarHBondContact CG-OE1 3.33Å; R198-E202 IonicContact CZ-OE1 3.86Å; R198-E202 IonicContact CZ-OE2 2.86Å; R198-E202 IonicContact NE-OE1 3.79Å; R198-E202 IonicContact NH1-OE1 2.7Å; R198-E202 PolarHBondContact NH1-OE1 3.29Å; R198-E202 IonicContact NH1-OE2 3.37Å; R198-E202 PolarHBondContact NH1-OE2 3.47Å; R198-E202 WeakPolarHBondContact O-CG 3.29Å; R198-E202 PolarHBondContact O-N 3.02Å
199	R	95.1	Very high	96.2	Very high	1 Å²	1	56.8 Å²	56.8	0%	0.004	29%	0.287	C	S	.	.	H	α-helix	trans	-64.8	-34.1	179.1	-69.8	-59.9	-68.3	148.9	-6.1	112.2	P31 P32 E128 Y195 V196 M197 E202 R203 F207	P31-R199 PolarHBondContact O-NH2 2.95Å; P32-R199 PolarHBondContact O-NH2 3.07Å; E128-R199 WeakPolarHBondContact OE1-CD 3.41Å; E128-R199 IonicContact OE1-CZ 2.76Å; E128-R199 IonicContact OE1-NE 2.73Å; E128-R199 PolarHBondContact OE1-NE 3.44Å; E128-R199 IonicContact OE1-NH2 2.77Å; E128-R199 IonicContact OE2-CZ 2.8Å; E128-R199 IonicContact OE2-NE 3.89Å; E128-R199 PolarHBondContact OE2-NE 3Å; E128-R199 IonicContact OE2-NH2 3.76Å; E128-R199 PolarHBondContact OE2-NH2 2.9Å; Y195-R199 HydrophobicContact CD1-CG 4.03Å; Y195-R199 HydrophobicContact CD2-CG 4.33Å; Y195-R199 HydrophobicContact CE1-CG 3.69Å; Y195-R199 HydrophobicContact CE2-CG 4.07Å; Y195-R199 HydrophobicContact CG-CG 4.36Å; Y195-R199 WeakPolarHBondContact O-CB 3.31Å; Y195-R199 VanDerWaalsContact O-CG 3.3Å; Y195-R199 WeakPolarHBondContact O-CG 3.46Å; Y195-R199 PolarHBondContact O-N 3.35Å; V196-R199 PolarHBondContact O-N 3.01Å; M197-R199 PolarHBondContact O-N 2.89Å; R199-E202 WeakPolarHBondContact CD-OE2 3.24Å; R199-E202 IonicContact CZ-OE2 2.78Å; R199-E202 IonicContact NE-OE2 2.73Å; R199-E202 IonicContact NH1-OE2 2.63Å; R199-E202 PolarHBondContact NH1-OE2 2.93Å; R199-E202 PolarHBondContact O-N 2.85Å; R199-R203 WeakPolarHBondContact O-CB 3.3Å; R199-R203 WeakPolarHBondContact O-CD 3.35Å; R199-R203 WeakPolarHBondContact O-CG 3.4Å; R199-R203 PolarHBondContact O-N 2.75Å; R199-F207 HydrophobicContact CB-CE2 3.69Å; R199-F207 HydrophobicContact CB-CZ 3.87Å; R199-F207 HydrophobicContact CG-CE2 4.29Å; R199-F207 HydrophobicContact CG-CZ 4.22Å
200	T	95.1	Very high	96.2	Very high	40 Å²	40	55.4 Å²	55.4	25%	0.245	28%	0.281	C	S	.	.	H	α-helix	trans	-63.5	-42.8	174.7	-62.5	0	0	0	0	111.3	V196 M197 R198 R203 G204 R205 P206	V196-T200 VanDerWaalsContact O-CB 3.3Å; V196-T200 WeakPolarHBondContact O-CB 3.26Å; V196-T200 PolarHBondContact O-N 2.97Å; V196-T200 PolarHBondContact O-OG1 2.9Å; M197-T200 WeakPolarHBondContact O-CB 3.26Å; M197-T200 PolarHBondContact O-N 2.8Å; R198-T200 VanDerWaalsContact C-N 3.3Å; R198-T200 PolarHBondContact O-N 2.82Å; T200-R203 PolarHBondContact O-N 2.78Å; T200-G204 PolarHBondContact O-N 2.99Å; T200-R205 PolarHBondContact O-N 2.92Å; T200-P206 HydrophobicContact CG2-CB 4.34Å
201	Q	94.8	Very high	96.3	Very high	150 Å²	150	54.3 Å²	54.3	70%	0.701	28%	0.275	S	S	*	.	H	α-helix	trans	-64.3	-47.9	175.8	-67.9	171.5	-5	0	0	111.7	M197 R198 R203 G204	M197-Q201 WeakPolarHBondContact O-CG 3.31Å; M197-Q201 PolarHBondContact O-N 2.77Å; M197-Q201 VanDerWaalsContact O-N 3.11Å; R198-Q201 WeakPolarHBondContact O-CB 3.32Å; R198-Q201 PolarHBondContact O-N 3.11Å; Q201-R203 VanDerWaalsContact C-N 3.26Å; Q201-R203 PolarHBondContact O-N 3.32Å; Q201-G204 PolarHBondContact O-N 3.15Å
202	E	93.7	Very high	96.3	Very high	82 Å²	82	54 Å²	54	38%	0.383	27%	0.273	S	S	.	.	H	α-helix	trans	-62.7	-31.5	179.6	-72.2	171.9	-179.8	0	0	113.4	R198 R199	R198-E202 WeakPolarHBondContact CG-OE1 3.33Å; R198-E202 IonicContact CZ-OE1 3.86Å; R198-E202 IonicContact CZ-OE2 2.86Å; R198-E202 IonicContact NE-OE1 3.79Å; R198-E202 IonicContact NH1-OE1 2.7Å; R198-E202 PolarHBondContact NH1-OE1 3.29Å; R198-E202 IonicContact NH1-OE2 3.37Å; R198-E202 PolarHBondContact NH1-OE2 3.47Å; R198-E202 WeakPolarHBondContact O-CG 3.29Å; R198-E202 PolarHBondContact O-N 3.02Å; R199-E202 WeakPolarHBondContact CD-OE2 3.24Å; R199-E202 IonicContact CZ-OE2 2.78Å; R199-E202 IonicContact NE-OE2 2.73Å; R199-E202 IonicContact NH1-OE2 2.63Å; R199-E202 PolarHBondContact NH1-OE2 2.93Å; R199-E202 PolarHBondContact O-N 2.85Å
203	R	91.8	Very high	96.3	Very high	22 Å²	22	53.7 Å²	53.7	8%	0.083	27%	0.271	C	S	.	.	H	α-helix	trans	-93.5	-13.2	-177.3	-64.5	170.3	58.4	-116.9	-1.4	113.2	S33 R35 R199 T200 Q201 R205 P206	S33-R203 WeakPolarHBondContact O-CG 3.29Å; S33-R203 PolarHBondContact O-NE 3.03Å; R35-R203 PolarHBondContact O-NH2 3.09Å; R199-R203 WeakPolarHBondContact O-CB 3.3Å; R199-R203 WeakPolarHBondContact O-CD 3.35Å; R199-R203 WeakPolarHBondContact O-CG 3.4Å; R199-R203 PolarHBondContact O-N 2.75Å; T200-R203 PolarHBondContact O-N 2.78Å; Q201-R203 VanDerWaalsContact C-N 3.26Å; Q201-R203 PolarHBondContact O-N 3.32Å; R203-R205 HydrophobicContact CB-CG 4.46Å; R203-R205 PolarHBondContact NH1-O 3.23Å; R203-R205 PolarHBondContact O-N 2.81Å; R203-P206 PolarHBondContact NH1-O 2.79Å; R203-P206 VanDerWaalsContact NH1-O 3.14Å; R203-P206 PolarHBondContact NH2-O 2.81Å
204	G	94.4	Very high	96.3	Very high	71 Å²	71	48.9 Å²	48.9	73%	0.732	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	7.2	-171.4	0	0	0	0	0	114.7	T200 Q201	T200-G204 PolarHBondContact O-N 2.99Å; Q201-G204 PolarHBondContact O-N 3.15Å
205	R	94.1	Very high	96.3	Very high	92 Å²	92	45.7 Å²	45.7	35%	0.347	24%	0.236	S	C	.	.	S	Bend	trans	-157.3	151.5	-179.6	64.1	-179.1	175.6	107.5	0.2	111.4	D34 T200 R203	D34-R205 PolarHBondContact O-NH2 2.67Å; T200-R205 PolarHBondContact O-N 2.92Å; R203-R205 HydrophobicContact CB-CG 4.46Å; R203-R205 PolarHBondContact NH1-O 3.23Å; R203-R205 PolarHBondContact O-N 2.81Å
206	P	94.9	Very high	96.2	Very high	86 Å²	86	45.7 Å²	45.7	56%	0.558	24%	0.238	S	C	*	.			trans	-69.2	167.4	176	29.4	-35.3	0	0	0	112.1	T200 R203	T200-P206 HydrophobicContact CG2-CB 4.34Å; R203-P206 PolarHBondContact NH1-O 2.79Å; R203-P206 VanDerWaalsContact NH1-O 3.14Å; R203-P206 PolarHBondContact NH2-O 2.81Å
207	F	96.1	Very high	96	Very high	18 Å²	18	46.8 Å²	46.8	8%	0.079	25%	0.251	C	S	.	.			trans	-66.4	146.3	163.7	-67.1	-76.7	0	0	0	109.2	L38 E128 R199 R209 V210	L38-F207 HydrophobicContact CB-CB 4.49Å; L38-F207 HydrophobicContact CB-CD1 3.85Å; L38-F207 HydrophobicContact CB-CD2 3.9Å; L38-F207 HydrophobicContact CB-CE1 3.96Å; L38-F207 HydrophobicContact CB-CE2 4.01Å; L38-F207 HydrophobicContact CB-CG 3.82Å; L38-F207 HydrophobicContact CB-CZ 4.03Å; L38-F207 HydrophobicContact CD2-CD2 4.11Å; L38-F207 HydrophobicContact CD2-CE2 3.87Å; L38-F207 HydrophobicContact CD2-CZ 4.4Å; L38-F207 HydrophobicContact CG-CE2 4.42Å; E128-F207 HydrophobicContact CB-CE1 4.22Å; R199-F207 HydrophobicContact CB-CE2 3.69Å; R199-F207 HydrophobicContact CB-CZ 3.87Å; R199-F207 HydrophobicContact CG-CE2 4.29Å; R199-F207 HydrophobicContact CG-CZ 4.22Å; F207-R209 VanDerWaalsContact C-N 3.26Å; F207-V210 HydrophobicContact CB-CG2 4.4Å
208	Q	95.4	Very high	95.8	Very high	97 Å²	97	44.3 Å²	44.3	45%	0.453	24%	0.24	S	C	.	.	S	Bend	trans	-68.1	-33.5	175.4	-66.6	-177.6	-2.4	0	0	111.1	R36 F37	R36-Q208 HydrophobicContact CB-CG 4.42Å; R36-Q208 PolarHBondContact O-N 3.43Å; F37-Q208 HydrophobicContact CD1-CB 4.08Å; F37-Q208 HydrophobicContact CE1-CB 3.87Å
209	R	96.4	Very high	95.9	Very high	42 Å²	42	39.8 Å²	39.8	16%	0.158	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	145.1	177.2	-163.8	173.2	-67.2	-133.8	11.9	110.7	F37 L38 F207 F211 R229 H275	F37-R209 WeakPolarHBondContact CA-O 3.32Å; F37-R209 HydrophobicContact CD1-CB 3.86Å; F37-R209 HydrophobicContact CE1-CB 4.29Å; L38-R209 PolarHBondContact N-O 2.92Å; L38-R209 VanDerWaalsContact N-O 3.1Å; F207-R209 VanDerWaalsContact C-N 3.26Å; R209-F211 HydrophobicContact CB-CE2 4.19Å; R209-F211 HydrophobicContact CB-CZ 4.24Å; R209-F211 VanDerWaalsContact CD-CE1 3.41Å; R209-F211 HydrophobicContact CG-CE1 4.1Å; R209-F211 HydrophobicContact CG-CE2 4.21Å; R209-F211 HydrophobicContact CG-CZ 3.93Å; R209-R229 WeakPolarHBondContact CD-O 3.33Å; R209-R229 WeakPolarHBondContact CG-O 3.41Å; R209-R229 PolarHBondContact NE-O 3.02Å; R209-R229 VanDerWaalsContact NE-O 3.08Å; R209-R229 PolarHBondContact NH1-O 3.47Å; R209-H275 VanDerWaalsContact CZ-CE1 3.41Å; R209-H275 PolarHBondContact NH1-CE1 3.14Å; R209-H275 PolarHBondContact NH1-NE2 2.98Å; R209-H275 PolarHBondContact NH2-CE1 2.86Å; R209-H275 PolarHBondContact NH2-ND1 2.71Å
210	V	98.3	Very high	96	Very high	10 Å²	10	40 Å²	40	6%	0.061	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	133.5	170.1	-175.4	0	0	0	0	109.1	L38 I40 L192 F207 L226 D230 T231	L38-V210 HydrophobicContact CB-CG2 4.45Å; L38-V210 HydrophobicContact CD2-CG1 4.24Å; L38-V210 HydrophobicContact CD2-CG2 4.49Å; L38-V210 HydrophobicContact CG-CG1 4.43Å; L38-V210 CarbonylContact O-C 3.48Å; L38-V210 WeakPolarHBondContact O-CA 3.46Å; I40-V210 HydrophobicContact CD1-CG1 3.39Å; L192-V210 HydrophobicContact CD1-CG1 4.41Å; F207-V210 HydrophobicContact CB-CG2 4.4Å; V210-L226 HydrophobicContact CB-CD2 4.08Å; V210-L226 HydrophobicContact CG1-CD2 3.76Å; V210-D230 HydrophobicContact CB-CB 4.3Å; V210-D230 PolarHBondContact N-OD1 2.89Å; V210-D230 VanDerWaalsContact O-CA 3.31Å; V210-D230 WeakPolarHBondContact O-CA 3.4Å; V210-D230 VanDerWaalsContact O-CB 3.26Å; V210-D230 WeakPolarHBondContact O-CB 3.3Å; V210-T231 PolarHBondContact O-N 3.25Å
211	F	98.6	Very high	96.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	123.8	175.2	-57.5	-81.5	0	0	0	108.3	F37 L38 I39 I40 F127 R209 T231 F233 L272 H275	F37-F211 HydrophobicContact CB-CD2 4.33Å; F37-F211 HydrophobicContact CB-CE2 3.87Å; F37-F211 HydrophobicContact CD1-CE2 4.24Å; F37-F211 HydrophobicContact CG-CE2 4.02Å; L38-F211 PolarHBondContact O-N 2.83Å; I39-F211 CarbonylContact C-O 3.57Å; I39-F211 WeakPolarHBondContact CA-O 3.39Å; I39-F211 HydrophobicContact CB-CB 4.09Å; I39-F211 HydrophobicContact CD1-CB 4.32Å; I39-F211 HydrophobicContact CG1-CB 3.91Å; I40-F211 WeakPolarHBondContact CD1-O 3.28Å; I40-F211 PolarHBondContact N-O 2.88Å; F127-F211 HydrophobicContact CE1-CD2 4.05Å; F127-F211 AromaticContact CE1-CE2 3.75Å; F127-F211 HydrophobicContact CE1-CE2 3.75Å; R209-F211 HydrophobicContact CB-CE2 4.19Å; R209-F211 HydrophobicContact CB-CZ 4.24Å; R209-F211 VanDerWaalsContact CD-CE1 3.41Å; R209-F211 HydrophobicContact CG-CE1 4.1Å; R209-F211 HydrophobicContact CG-CE2 4.21Å; R209-F211 HydrophobicContact CG-CZ 3.93Å; F211-T231 WeakPolarHBondContact CA-O 3.45Å; F211-F233 HydrophobicContact CB-CD2 4.44Å; F211-F233 HydrophobicContact CB-CE2 4.12Å; F211-F233 AromaticContact CD1-CE2 3.68Å; F211-F233 HydrophobicContact CD1-CE2 3.68Å; F211-F233 HydrophobicContact CD1-CZ 4.36Å; F211-F233 HydrophobicContact CG-CE2 4.29Å; F211-L272 HydrophobicContact CD1-CD2 3.64Å; F211-L272 HydrophobicContact CD2-CD2 3.86Å; F211-L272 HydrophobicContact CE1-CD2 3.6Å; F211-L272 HydrophobicContact CE2-CD2 3.8Å; F211-L272 HydrophobicContact CG-CD2 3.76Å; F211-L272 HydrophobicContact CZ-CD2 3.64Å; F211-H275 AromaticContact CE1-CD2 3.75Å; F211-H275 HydrophobicContact CZ-CB 4.16Å; F211-H275 AromaticContact CZ-CD2 3.99Å
212	Y	98.8	Very high	96.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	123.6	174.2	-166	-76.6	0	0	0	109.2	I40 K188 L192 D219 P222 T231 F233 M240	I40-Y212 HydrophobicContact CB-CD2 3.98Å; I40-Y212 HydrophobicContact CB-CE2 4.31Å; I40-Y212 HydrophobicContact CG2-CD2 4.09Å; I40-Y212 HydrophobicContact CG2-CE2 3.9Å; K188-Y212 VanDerWaalsContact CD-OH 3.24Å; K188-Y212 WeakPolarHBondContact CD-OH 3.43Å; L192-Y212 HydrophobicContact CD2-CD2 4.1Å; Y212-D219 HydrophobicContact CE1-CB 3.7Å; Y212-D219 WeakPolarHBondContact CE1-OD1 3.36Å; Y212-D219 PolarHBondContact OH-OD1 2.74Å; Y212-P222 HydrophobicContact CD2-CB 4.18Å; Y212-P222 HydrophobicContact CD2-CG 4.41Å; Y212-P222 HydrophobicContact CE1-CG 4.18Å; Y212-P222 HydrophobicContact CE2-CB 3.63Å; Y212-P222 HydrophobicContact CE2-CG 3.61Å; Y212-P222 VanDerWaalsContact CZ-CG 3.47Å; Y212-P222 WeakPolarHBondContact OH-CG 3.18Å; Y212-T231 PolarHBondContact N-O 3.09Å; Y212-F233 PolarHBondContact O-N 2.92Å; Y212-M240 HydrophobicContact CD1-CE 4.07Å
213	V	98.9	Very high	96.4	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.6	177.8	-167.7	0	0	0	0	108.1	I39 I40 F41 D42 T46 F233 W262 V268	I39-V213 HydrophobicContact CD1-CG2 4.04Å; I39-V213 HydrophobicContact CG1-CG2 4.15Å; I40-V213 PolarHBondContact O-N 3.3Å; F41-V213 WeakPolarHBondContact CA-O 3.37Å; F41-V213 HydrophobicContact CD1-CB 3.69Å; F41-V213 HydrophobicContact CD1-CG1 4.03Å; F41-V213 HydrophobicContact CD1-CG2 4Å; F41-V213 HydrophobicContact CE1-CB 3.89Å; F41-V213 HydrophobicContact CE1-CG1 4.07Å; F41-V213 HydrophobicContact CE1-CG2 3.74Å; F41-V213 HydrophobicContact CG-CB 4.43Å; F41-V213 HydrophobicContact CZ-CG2 4.22Å; D42-V213 PolarHBondContact N-O 3Å; T46-V213 HydrophobicContact CG2-CG1 4.06Å; V213-F233 HydrophobicContact CB-CB 4.3Å; V213-F233 HydrophobicContact CG1-CB 4.14Å; V213-F233 HydrophobicContact CG2-CB 4.09Å; V213-F233 HydrophobicContact CG2-CD2 3.89Å; V213-F233 HydrophobicContact CG2-CG 4.33Å; V213-W262 HydrophobicContact CG1-CZ2 4.24Å; V213-V268 HydrophobicContact CG1-CG2 4.47Å; V213-V268 HydrophobicContact CG2-CG1 4.3Å
214	G	98.6	Very high	96.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	176.8	-178	0	0	0	0	0	111.9	T46 D219 F233 A234 R235 W262	T46-G214 WeakPolarHBondContact OG1-CA 3.14Å; G214-D219 VanDerWaalsContact CA-OD2 3.26Å; G214-D219 WeakPolarHBondContact CA-OD2 3.25Å; G214-F233 PolarHBondContact N-O 3.46Å; G214-F233 VanDerWaalsContact O-O 3.11Å; G214-A234 CarbonylContact O-C 3.51Å; G214-R235 PolarHBondContact O-N 3.17Å; G214-W262 PolarHBondContact O-NE1 3.3Å
215	D	98.3	Very high	96.8	Very high	8 Å²	8	29.7 Å²	29.7	4%	0.043	16%	0.159	C	C	.	.			trans	-133.6	-39	-178.1	74.6	-73	0	0	0	111.9	E45 T46 D219 R235 Y238 M240	E45-D215 WeakPolarHBondContact CB-OD2 3.29Å; T46-D215 PolarHBondContact OG1-N 3.49Å; T46-D215 PolarHBondContact OG1-OD1 2.89Å; D215-D219 PolarHBondContact N-OD2 3.24Å; D215-R235 HydrophobicContact CB-CB 3.44Å; D215-R235 VanDerWaalsContact CB-CB 3.44Å; D215-R235 HydrophobicContact CB-CG 4.24Å; D215-Y238 HydrophobicContact CB-CD1 3.82Å; D215-Y238 HydrophobicContact CB-CG 4.06Å; D215-Y238 VanDerWaalsContact O-CB 3.29Å; D215-Y238 WeakPolarHBondContact O-CB 3.41Å; D215-Y238 WeakPolarHBondContact OD2-CD1 3.36Å; D215-M240 WeakPolarHBondContact O-CB 3.3Å; D215-M240 PolarHBondContact O-N 3.1Å
216	G	94.6	Very high	97	Very high	7 Å²	7	25.7 Å²	25.7	7%	0.072	14%	0.144	C	C	.	.	S	Bend	trans	-90.7	170.2	-160.8	0	0	0	0	0	115	N218 D219 M240	G216-N218 PolarHBondContact O-N 3Å; G216-D219 PolarHBondContact N-OD2 3.4Å; G216-D219 WeakPolarHBondContact O-CB 3.39Å; G216-D219 PolarHBondContact O-N 3.48Å; G216-M240 WeakPolarHBondContact O-CB 3.33Å
217	A	94.4	Very high	97.1	Very high	61 Å²	61	22.5 Å²	22.5	50%	0.504	13%	0.128	S	C	.	.	H	α-helix	trans	-63.7	-28.1	176.8	0	0	0	0	0	112	D219 F220 P239 L243	A217-D219 PolarHBondContact O-N 3.46Å; A217-F220 VanDerWaalsContact O-CB 3.3Å; A217-F220 WeakPolarHBondContact O-CB 3.44Å; A217-F220 PolarHBondContact O-N 3.49Å; A217-P239 HydrophobicContact CB-CB 4Å; A217-L243 HydrophobicContact CB-CD1 4.03Å
218	N	93.8	Very high	97.1	Very high	48 Å²	48	26.3 Å²	26.3	26%	0.257	15%	0.154	S	C	.	.	H	α-helix	trans	-68	-18.3	173.8	61.9	-12.5	0	0	0	113.3	K188 G216 P222	K188-N218 WeakPolarHBondContact CE-ND2 3.42Å; K188-N218 PolarHBondContact NZ-ND2 3.11Å; G216-N218 PolarHBondContact O-N 3Å; N218-P222 WeakPolarHBondContact O-CD 3.3Å
219	D	97.9	Very high	97	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-88.7	-12.4	173.7	-66.8	-41	0	0	0	113.7	K188 Y212 G214 D215 G216 A217 P222 S223 M240	K188-D219 WeakPolarHBondContact CD-OD1 3.31Å; K188-D219 IonicContact NZ-OD1 3.71Å; K188-D219 PolarHBondContact NZ-OD1 3.39Å; K188-D219 IonicContact NZ-OD2 3.97Å; Y212-D219 HydrophobicContact CE1-CB 3.7Å; Y212-D219 WeakPolarHBondContact CE1-OD1 3.36Å; Y212-D219 PolarHBondContact OH-OD1 2.74Å; G214-D219 VanDerWaalsContact CA-OD2 3.26Å; G214-D219 WeakPolarHBondContact CA-OD2 3.25Å; D215-D219 PolarHBondContact N-OD2 3.24Å; G216-D219 PolarHBondContact N-OD2 3.4Å; G216-D219 WeakPolarHBondContact O-CB 3.39Å; G216-D219 PolarHBondContact O-N 3.48Å; A217-D219 PolarHBondContact O-N 3.46Å; D219-P222 VanDerWaalsContact O-CD 3.26Å; D219-P222 WeakPolarHBondContact O-CD 3.26Å; D219-P222 VanDerWaalsContact O-CG 3.24Å; D219-P222 WeakPolarHBondContact O-CG 3.39Å; D219-S223 PolarHBondContact O-N 3.22Å; D219-M240 HydrophobicContact CB-CB 4.45Å; D219-M240 HydrophobicContact CB-CE 4.44Å; D219-M240 HydrophobicContact CB-CG 4.17Å; D219-M240 HydrophobicContact CB-SD 3.65Å
220	F	97.5	Very high	97.1	Very high	5 Å²	5	30 Å²	30	2%	0.022	17%	0.166	C	C	.	.	H	α-helix	trans	-63.2	-45.8	175.2	-176.6	-98.7	0	0	0	111.5	A217 S223 L224 L243 I244 I247 F255	A217-F220 VanDerWaalsContact O-CB 3.3Å; A217-F220 WeakPolarHBondContact O-CB 3.44Å; A217-F220 PolarHBondContact O-N 3.49Å; F220-S223 PolarHBondContact O-N 2.97Å; F220-S223 VanDerWaalsContact O-N 3.14Å; F220-S223 PolarHBondContact O-OG 3.12Å; F220-L224 HydrophobicContact CD1-CD1 4.42Å; F220-L224 HydrophobicContact CD1-CG 4.44Å; F220-L224 HydrophobicContact CE1-CD1 3.8Å; F220-L224 HydrophobicContact CE1-CD2 3.62Å; F220-L224 HydrophobicContact CE1-CG 3.75Å; F220-L224 HydrophobicContact CE2-CD2 4.42Å; F220-L224 HydrophobicContact CZ-CD1 4.46Å; F220-L224 HydrophobicContact CZ-CD2 3.41Å; F220-L224 VanDerWaalsContact CZ-CD2 3.41Å; F220-L224 HydrophobicContact CZ-CG 3.96Å; F220-L224 PolarHBondContact O-N 2.78Å; F220-L243 HydrophobicContact CB-CB 4.44Å; F220-L243 HydrophobicContact CB-CD1 3.71Å; F220-L243 HydrophobicContact CD2-CB 3.47Å; F220-L243 VanDerWaalsContact CD2-CB 3.47Å; F220-L243 HydrophobicContact CD2-CD1 4.28Å; F220-L243 HydrophobicContact CE2-CB 3.97Å; F220-L243 HydrophobicContact CG-CB 3.9Å; F220-L243 HydrophobicContact CG-CD1 3.87Å; F220-I244 HydrophobicContact CD2-CG1 3.82Å; F220-I244 HydrophobicContact CE2-CG1 3.67Å; F220-I247 HydrophobicContact CE1-CD1 3.78Å; F220-I247 HydrophobicContact CE2-CD1 3.71Å; F220-I247 HydrophobicContact CZ-CD1 3.04Å; F220-I247 HydrophobicContact CZ-CG1 4.47Å; F220-F255 HydrophobicContact CE2-CE2 4.35Å
221	C	97.3	Very high	97.1	Very high	6 Å²	6	29.5 Å²	29.5	4%	0.041	16%	0.163	C	C	.	.	H	α-helix	trans	-55.9	-52.5	-179.3	-165.3	0	0	0	0	113.8	Q189 S223 L224	Q189-C221 HydrophobicContact CB-CB 4.32Å; Q189-C221 VanDerWaalsContact CB-SG 3.54Å; Q189-C221 PolarHBondContact OE1-O 3.32Å; Q189-C221 PolarHBondContact OE1-SG 3.3Å; C221-S223 PolarHBondContact O-N 2.97Å; C221-L224 WeakPolarHBondContact O-CB 3.44Å; C221-L224 PolarHBondContact O-N 3.12Å
222	P	97.6	Very high	97.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.6	-26.4	177.4	24.5	-34.6	0	0	0	113.6	K188 Q189 L192 Y212 N218 D219 L224 I225	K188-P222 HydrophobicContact CB-CB 4.14Å; K188-P222 HydrophobicContact CB-CG 3.7Å; Q189-P222 HydrophobicContact CB-CB 4.41Å; L192-P222 HydrophobicContact CB-CB 4.49Å; L192-P222 HydrophobicContact CD2-CB 3.93Å; Y212-P222 HydrophobicContact CD2-CB 4.18Å; Y212-P222 HydrophobicContact CD2-CG 4.41Å; Y212-P222 HydrophobicContact CE1-CG 4.18Å; Y212-P222 HydrophobicContact CE2-CB 3.63Å; Y212-P222 HydrophobicContact CE2-CG 3.61Å; Y212-P222 VanDerWaalsContact CZ-CG 3.47Å; Y212-P222 WeakPolarHBondContact OH-CG 3.18Å; N218-P222 WeakPolarHBondContact O-CD 3.3Å; D219-P222 VanDerWaalsContact O-CD 3.26Å; D219-P222 WeakPolarHBondContact O-CD 3.26Å; D219-P222 VanDerWaalsContact O-CG 3.24Å; D219-P222 WeakPolarHBondContact O-CG 3.39Å; P222-L224 VanDerWaalsContact C-N 3.26Å; P222-L224 PolarHBondContact O-N 3.12Å; P222-I225 WeakPolarHBondContact O-CG1 3.25Å
223	S	97.4	Very high	97.1	Very high	1 Å²	1	29.5 Å²	29.5	1%	0.007	16%	0.163	C	C	.	.	H	α-helix	trans	-69.1	-22.8	177.4	76.5	0	0	0	0	114.1	D219 F220 C221 I225 L226 F255	D219-S223 PolarHBondContact O-N 3.22Å; F220-S223 PolarHBondContact O-N 2.97Å; F220-S223 VanDerWaalsContact O-N 3.14Å; F220-S223 PolarHBondContact O-OG 3.12Å; C221-S223 PolarHBondContact O-N 2.97Å; S223-I225 PolarHBondContact O-N 3.22Å; S223-L226 WeakPolarHBondContact O-CB 3.31Å; S223-L226 PolarHBondContact O-N 2.58Å; S223-F255 WeakPolarHBondContact OG-CE2 3.48Å
224	L	96.4	Very high	97.1	Very high	71 Å²	71	29.5 Å²	29.5	37%	0.372	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-24.4	179.9	-70.1	176.2	0	0	0	113.9	F220 C221 P222 F255	F220-L224 HydrophobicContact CD1-CD1 4.42Å; F220-L224 HydrophobicContact CD1-CG 4.44Å; F220-L224 HydrophobicContact CE1-CD1 3.8Å; F220-L224 HydrophobicContact CE1-CD2 3.62Å; F220-L224 HydrophobicContact CE1-CG 3.75Å; F220-L224 HydrophobicContact CE2-CD2 4.42Å; F220-L224 HydrophobicContact CZ-CD1 4.46Å; F220-L224 HydrophobicContact CZ-CD2 3.41Å; F220-L224 VanDerWaalsContact CZ-CD2 3.41Å; F220-L224 HydrophobicContact CZ-CG 3.96Å; F220-L224 PolarHBondContact O-N 2.78Å; C221-L224 WeakPolarHBondContact O-CB 3.44Å; C221-L224 PolarHBondContact O-N 3.12Å; P222-L224 VanDerWaalsContact C-N 3.26Å; P222-L224 PolarHBondContact O-N 3.12Å; L224-F255 HydrophobicContact CD2-CD2 4.42Å
225	I	96.6	Very high	97.1	Very high	72 Å²	72	30.4 Å²	30.4	37%	0.369	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-1.7	-178.7	63.1	163.3	0	0	0	113	Q189 L192 R193 P222 S223	Q189-I225 HydrophobicContact CG-CB 4.4Å; Q189-I225 HydrophobicContact CG-CD1 3.89Å; Q189-I225 HydrophobicContact CG-CG1 3.98Å; Q189-I225 HydrophobicContact CG-CG2 3.54Å; L192-I225 HydrophobicContact CB-CD1 4.16Å; L192-I225 HydrophobicContact CD2-CD1 3.93Å; L192-I225 HydrophobicContact CD2-CG1 4.08Å; L192-I225 HydrophobicContact CG-CD1 3.93Å; R193-I225 HydrophobicContact CB-CD1 3.83Å; P222-I225 WeakPolarHBondContact O-CG1 3.25Å; S223-I225 PolarHBondContact O-N 3.22Å
226	L	98	Very high	97.1	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.037	19%	0.186	C	C	.	.			trans	-72.2	138.6	176.1	-65	179	0	0	0	110.2	L192 V210 S223 D230 A232 A257	L192-L226 HydrophobicContact CD2-CD2 4.12Å; V210-L226 HydrophobicContact CB-CD2 4.08Å; V210-L226 HydrophobicContact CG1-CD2 3.76Å; S223-L226 WeakPolarHBondContact O-CB 3.31Å; S223-L226 PolarHBondContact O-N 2.58Å; L226-D230 HydrophobicContact CB-CB 3.86Å; L226-D230 HydrophobicContact CD2-CB 4.09Å; L226-D230 HydrophobicContact CG-CB 4.43Å; L226-A232 HydrophobicContact CD1-CB 4.08Å; L226-A257 HydrophobicContact CB-CB 3.55Å; L226-A257 HydrophobicContact CD1-CB 4.25Å
227	G	96.9	Very high	97.2	Very high	20 Å²	20	40 Å²	40	21%	0.206	21%	0.207	C	C	.	.			trans	-82.9	174	179.9	0	0	0	0	0	113.4	R229 D230 A257	G227-R229 PolarHBondContact O-N 3.23Å; G227-R229 VanDerWaalsContact O-N 3.07Å; G227-D230 PolarHBondContact N-OD2 3.44Å; G227-D230 WeakPolarHBondContact O-CB 3.46Å; G227-D230 PolarHBondContact O-N 3.46Å; G227-A257 WeakPolarHBondContact O-CA 3.48Å
228	P	96.3	Very high	97.4	Very high	97 Å²	97	39.8 Å²	39.8	63%	0.63	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.7	-178	27.9	-36	0	0	0	115.3	K256	P228-K256 VanDerWaalsContact CA-O 3.27Å; P228-K256 WeakPolarHBondContact CA-O 3.43Å
229	R	95.1	Very high	97.6	Very high	188 Å²	188	40 Å²	40	71%	0.709	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-20.1	173.1	-61.4	-178.1	-176.5	-174.8	0.3	112.1	R209 G227	R209-R229 WeakPolarHBondContact CD-O 3.33Å; R209-R229 WeakPolarHBondContact CG-O 3.41Å; R209-R229 PolarHBondContact NE-O 3.02Å; R209-R229 VanDerWaalsContact NE-O 3.08Å; R209-R229 PolarHBondContact NH1-O 3.47Å; G227-R229 PolarHBondContact O-N 3.23Å; G227-R229 VanDerWaalsContact O-N 3.07Å
230	D	97.8	Very high	97.6	Very high	28 Å²	28	40 Å²	40	15%	0.15	20%	0.198	C	C	.	.	S	Bend	trans	-79.6	161.1	-177	-61.2	-32.9	0	0	0	110.5	V210 L226 G227 V258	V210-D230 HydrophobicContact CB-CB 4.3Å; V210-D230 PolarHBondContact N-OD1 2.89Å; V210-D230 VanDerWaalsContact O-CA 3.31Å; V210-D230 WeakPolarHBondContact O-CA 3.4Å; V210-D230 VanDerWaalsContact O-CB 3.26Å; V210-D230 WeakPolarHBondContact O-CB 3.3Å; L226-D230 HydrophobicContact CB-CB 3.86Å; L226-D230 HydrophobicContact CD2-CB 4.09Å; L226-D230 HydrophobicContact CG-CB 4.43Å; G227-D230 PolarHBondContact N-OD2 3.44Å; G227-D230 WeakPolarHBondContact O-CB 3.46Å; G227-D230 PolarHBondContact O-N 3.46Å; D230-V258 PolarHBondContact O-N 3.34Å
231	T	98.4	Very high	97.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.5	-177.2	-51.6	0	0	0	0	110.8	V210 F211 Y212 F233 V258 V260	V210-T231 PolarHBondContact O-N 3.25Å; F211-T231 WeakPolarHBondContact CA-O 3.45Å; Y212-T231 PolarHBondContact N-O 3.09Å; T231-F233 HydrophobicContact CG2-CD1 4.35Å; T231-F233 HydrophobicContact CG2-CD2 3.98Å; T231-F233 HydrophobicContact CG2-CE1 4.13Å; T231-F233 HydrophobicContact CG2-CE2 3.78Å; T231-F233 HydrophobicContact CG2-CG 4.28Å; T231-F233 HydrophobicContact CG2-CZ 3.84Å; T231-V258 CarbonylContact C-O 3.26Å; T231-V258 VanDerWaalsContact CA-O 3.25Å; T231-V258 WeakPolarHBondContact CA-O 3.49Å; T231-V258 WeakPolarHBondContact CG2-O 3.48Å; T231-V260 HydrophobicContact CG2-CB 4.22Å; T231-V260 HydrophobicContact CG2-CG2 3.73Å
232	A	98.6	Very high	97.7	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	105.3	166.4	0	0	0	0	0	109.1	L226 A234 M240 I244 F255 V258 T259 V260	L226-A232 HydrophobicContact CD1-CB 4.08Å; A232-A234 PolarHBondContact O-N 3.3Å; A232-M240 HydrophobicContact CB-CE 4Å; A232-I244 HydrophobicContact CB-CD1 4.28Å; A232-F255 HydrophobicContact CB-CE1 4.44Å; A232-F255 HydrophobicContact CB-CZ 4.06Å; A232-V258 PolarHBondContact N-O 3.21Å; A232-T259 WeakPolarHBondContact O-CA 3.49Å; A232-V260 PolarHBondContact O-N 3.41Å
233	F	98.8	Very high	97.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	95	168.1	-66.8	-79.2	0	0	0	108.9	F211 Y212 V213 G214 T231 V260 W262 V268 R271 L272	F211-F233 HydrophobicContact CB-CD2 4.44Å; F211-F233 HydrophobicContact CB-CE2 4.12Å; F211-F233 AromaticContact CD1-CE2 3.68Å; F211-F233 HydrophobicContact CD1-CE2 3.68Å; F211-F233 HydrophobicContact CD1-CZ 4.36Å; F211-F233 HydrophobicContact CG-CE2 4.29Å; Y212-F233 PolarHBondContact O-N 2.92Å; V213-F233 HydrophobicContact CB-CB 4.3Å; V213-F233 HydrophobicContact CG1-CB 4.14Å; V213-F233 HydrophobicContact CG2-CB 4.09Å; V213-F233 HydrophobicContact CG2-CD2 3.89Å; V213-F233 HydrophobicContact CG2-CG 4.33Å; G214-F233 PolarHBondContact N-O 3.46Å; G214-F233 VanDerWaalsContact O-O 3.11Å; T231-F233 HydrophobicContact CG2-CD1 4.35Å; T231-F233 HydrophobicContact CG2-CD2 3.98Å; T231-F233 HydrophobicContact CG2-CE1 4.13Å; T231-F233 HydrophobicContact CG2-CE2 3.78Å; T231-F233 HydrophobicContact CG2-CG 4.28Å; T231-F233 HydrophobicContact CG2-CZ 3.84Å; F233-V260 VanDerWaalsContact CA-O 3.31Å; F233-V260 WeakPolarHBondContact CA-O 3.44Å; F233-V260 HydrophobicContact CD1-CB 3.7Å; F233-V260 HydrophobicContact CD1-CG1 3.81Å; F233-V260 HydrophobicContact CE1-CB 3.87Å; F233-V260 HydrophobicContact CE1-CG1 3.79Å; F233-V260 HydrophobicContact CE1-CG2 4.34Å; F233-W262 VanDerWaalsContact C-CD1 3.42Å; F233-W262 PolarHBondContact O-NE1 3.31Å; F233-V268 HydrophobicContact CB-CG2 4.47Å; F233-V268 HydrophobicContact CD1-CB 4.42Å; F233-V268 HydrophobicContact CD1-CG1 4.31Å; F233-V268 HydrophobicContact CD1-CG2 3.96Å; F233-V268 HydrophobicContact CD2-CG1 4.15Å; F233-V268 HydrophobicContact CE1-CB 4.34Å; F233-V268 HydrophobicContact CE1-CG1 4.14Å; F233-V268 HydrophobicContact CE1-CG2 4.36Å; F233-V268 HydrophobicContact CE2-CG1 3.94Å; F233-V268 HydrophobicContact CG-CG1 4.31Å; F233-V268 HydrophobicContact CG-CG2 4.21Å; F233-V268 HydrophobicContact CZ-CG1 3.94Å; F233-R271 HydrophobicContact CE1-CB 3.64Å; F233-R271 HydrophobicContact CE1-CG 3.75Å; F233-R271 HydrophobicContact CZ-CB 3.69Å; F233-R271 HydrophobicContact CZ-CG 3.61Å; F233-L272 HydrophobicContact CE2-CD2 4.29Å; F233-L272 HydrophobicContact CZ-CD2 4.43Å
234	A	98.6	Very high	97.7	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	127.9	178.2	0	0	0	0	0	110	G214 A232 R236 M240 H241 I244 V260 P261 W262	G214-A234 CarbonylContact O-C 3.51Å; A232-A234 PolarHBondContact O-N 3.3Å; A234-R236 PolarHBondContact O-N 2.84Å; A234-M240 HydrophobicContact CB-CB 4.27Å; A234-M240 HydrophobicContact CB-CE 4.35Å; A234-M240 HydrophobicContact CB-CG 3.91Å; A234-M240 HydrophobicContact CB-SD 3.87Å; A234-H241 HydrophobicContact CB-CB 3.87Å; A234-I244 HydrophobicContact CB-CD1 4.07Å; A234-V260 PolarHBondContact N-O 3.12Å; A234-P261 VanDerWaalsContact O-CA 3.25Å; A234-P261 WeakPolarHBondContact O-CA 3.34Å; A234-W262 VanDerWaalsContact O-CD1 3.28Å; A234-W262 PolarHBondContact O-N 3.3Å
235	R	98.6	Very high	97.7	Very high	19 Å²	19	49.4 Å²	49.4	7%	0.072	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	128	179.5	-168.4	175.5	180	-174.8	-1.7	109.1	E45 N49 G214 D215 D237 Y238 H241 W262	E45-R235 WeakPolarHBondContact O-CD 3.24Å; E45-R235 PolarHBondContact O-NH1 3.26Å; N49-R235 PolarHBondContact OD1-NH2 3.44Å; G214-R235 PolarHBondContact O-N 3.17Å; D215-R235 HydrophobicContact CB-CB 3.44Å; D215-R235 VanDerWaalsContact CB-CB 3.44Å; D215-R235 HydrophobicContact CB-CG 4.24Å; R235-D237 PolarHBondContact O-N 2.9Å; R235-Y238 HydrophobicContact CB-CD2 4.05Å; R235-Y238 HydrophobicContact CB-CG 4.03Å; R235-Y238 HydrophobicContact CG-CD2 3.56Å; R235-Y238 HydrophobicContact CG-CE2 3.92Å; R235-Y238 HydrophobicContact CG-CG 3.99Å; R235-Y238 VanDerWaalsContact CZ-CZ 3.43Å; R235-Y238 VanDerWaalsContact CZ-OH 3.25Å; R235-Y238 PolarHBondContact NH1-OH 3.21Å; R235-Y238 PolarHBondContact NH2-OH 2.95Å; R235-Y238 WeakPolarHBondContact O-CB 3.41Å; R235-Y238 PolarHBondContact O-N 2.94Å; R235-Y238 VanDerWaalsContact O-N 3.09Å; R235-H241 WeakPolarHBondContact O-CB 3.21Å; R235-W262 CarbonylContact C-O 3.58Å; R235-W262 VanDerWaalsContact CA-NE1 3.32Å; R235-W262 WeakPolarHBondContact CA-O 3.47Å; R235-W262 HydrophobicContact CB-CD2 4.4Å; R235-W262 HydrophobicContact CB-CH2 4.45Å; R235-W262 HydrophobicContact CB-CZ2 3.66Å; R235-W262 HydrophobicContact CG-CD2 4.36Å; R235-W262 HydrophobicContact CG-CH2 4.03Å; R235-W262 HydrophobicContact CG-CZ2 3.74Å; R235-W262 HydrophobicContact CG-CZ3 4.46Å
236	R	98.5	Very high	97.7	Very high	120 Å²	120	51.1 Å²	51.1	45%	0.453	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	128.9	-170.9	-174.9	-174.4	-62.5	-119.7	-3.1	109.8	A234 Y238 P261 W262	A234-R236 PolarHBondContact O-N 2.84Å; R236-Y238 VanDerWaalsContact O-CD2 3.31Å; R236-Y238 WeakPolarHBondContact O-CD2 3.44Å; R236-Y238 PolarHBondContact O-N 3.29Å; R236-P261 HydrophobicContact CB-CB 4.31Å; R236-P261 HydrophobicContact CG-CB 4.41Å; R236-W262 WeakPolarHBondContact CB-O 3.49Å; R236-W262 PolarHBondContact N-O 3.23Å
237	D	97.8	Very high	97.6	Very high	96 Å²	96	51.8 Å²	51.8	51%	0.513	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.9	5.6	-179.8	-49.5	-37.9	0	0	0	115.6	R235 H241 R242	R235-D237 PolarHBondContact O-N 2.9Å; D237-H241 PolarHBondContact N-ND1 3.41Å; D237-H241 IonicContact OD1-CE1 3.39Å; D237-H241 IonicContact OD1-ND1 2.87Å; D237-R242 PolarHBondContact O-NE 2.98Å; D237-R242 PolarHBondContact O-NH2 2.84Å
238	Y	98.1	Very high	97.5	Very high	57 Å²	57	54.2 Å²	54.2	22%	0.224	25%	0.253	C	S	.	.	S	Bend	trans	-85.7	166.6	172.3	-80.4	-111.7	0	0	0	111.7	E45 D215 R235 R236 M240 H241 R242	E45-Y238 HydrophobicContact CB-CE1 4Å; E45-Y238 HydrophobicContact CG-CE1 4.4Å; E45-Y238 WeakPolarHBondContact OE2-CE1 3.5Å; D215-Y238 HydrophobicContact CB-CD1 3.82Å; D215-Y238 HydrophobicContact CB-CG 4.06Å; D215-Y238 VanDerWaalsContact O-CB 3.29Å; D215-Y238 WeakPolarHBondContact O-CB 3.41Å; D215-Y238 WeakPolarHBondContact OD2-CD1 3.36Å; R235-Y238 HydrophobicContact CB-CD2 4.05Å; R235-Y238 HydrophobicContact CB-CG 4.03Å; R235-Y238 HydrophobicContact CG-CD2 3.56Å; R235-Y238 HydrophobicContact CG-CE2 3.92Å; R235-Y238 HydrophobicContact CG-CG 3.99Å; R235-Y238 VanDerWaalsContact CZ-CZ 3.43Å; R235-Y238 VanDerWaalsContact CZ-OH 3.25Å; R235-Y238 PolarHBondContact NH1-OH 3.21Å; R235-Y238 PolarHBondContact NH2-OH 2.95Å; R235-Y238 WeakPolarHBondContact O-CB 3.41Å; R235-Y238 PolarHBondContact O-N 2.94Å; R235-Y238 VanDerWaalsContact O-N 3.09Å; R236-Y238 VanDerWaalsContact O-CD2 3.31Å; R236-Y238 WeakPolarHBondContact O-CD2 3.44Å; R236-Y238 PolarHBondContact O-N 3.29Å; Y238-M240 VanDerWaalsContact C-N 3.33Å; Y238-M240 PolarHBondContact O-N 3.37Å; Y238-H241 WeakPolarHBondContact O-CB 3.48Å; Y238-H241 PolarHBondContact O-N 3.08Å; Y238-R242 PolarHBondContact O-N 3.24Å; Y238-R242 VanDerWaalsContact O-N 3.09Å
239	P	97.7	Very high	97.4	Very high	53 Å²	53	56.7 Å²	56.7	34%	0.344	26%	0.256	S	S	.	.	H	α-helix	trans	-55.3	-39.2	-171.2	-28.5	36.3	0	0	0	115.1	A217 H241 R242 L243	A217-P239 HydrophobicContact CB-CB 4Å; P239-H241 VanDerWaalsContact C-N 3.33Å; P239-H241 PolarHBondContact O-N 2.93Å; P239-R242 PolarHBondContact O-N 3.43Å; P239-L243 WeakPolarHBondContact O-CB 3.39Å; P239-L243 VanDerWaalsContact O-CG 3.24Å; P239-L243 WeakPolarHBondContact O-CG 3.5Å; P239-L243 PolarHBondContact O-N 3.1Å
240	M	97.9	Very high	97.5	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.9	-45.7	175.1	-173.2	-172.6	178	0	0	111.3	Y212 D215 G216 D219 A232 A234 Y238 L243 I244	Y212-M240 HydrophobicContact CD1-CE 4.07Å; D215-M240 WeakPolarHBondContact O-CB 3.3Å; D215-M240 PolarHBondContact O-N 3.1Å; G216-M240 WeakPolarHBondContact O-CB 3.33Å; D219-M240 HydrophobicContact CB-CB 4.45Å; D219-M240 HydrophobicContact CB-CE 4.44Å; D219-M240 HydrophobicContact CB-CG 4.17Å; D219-M240 HydrophobicContact CB-SD 3.65Å; A232-M240 HydrophobicContact CB-CE 4Å; A234-M240 HydrophobicContact CB-CB 4.27Å; A234-M240 HydrophobicContact CB-CE 4.35Å; A234-M240 HydrophobicContact CB-CG 3.91Å; A234-M240 HydrophobicContact CB-SD 3.87Å; Y238-M240 VanDerWaalsContact C-N 3.33Å; Y238-M240 PolarHBondContact O-N 3.37Å; M240-L243 PolarHBondContact O-N 2.79Å; M240-I244 HydrophobicContact CE-CD1 3.9Å; M240-I244 HydrophobicContact CG-CD1 3.89Å; M240-I244 VanDerWaalsContact O-CG1 3.26Å; M240-I244 WeakPolarHBondContact O-CG1 3.08Å; M240-I244 PolarHBondContact O-N 2.87Å
241	H	98.4	Very high	97.3	Very high	31 Å²	31	55.8 Å²	55.8	14%	0.144	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-43.3	-179.7	176.5	-127.8	0	0	0	111.6	A234 R235 D237 Y238 P239 I244 T245	A234-H241 HydrophobicContact CB-CB 3.87Å; R235-H241 WeakPolarHBondContact O-CB 3.21Å; D237-H241 PolarHBondContact N-ND1 3.41Å; D237-H241 IonicContact OD1-CE1 3.39Å; D237-H241 IonicContact OD1-ND1 2.87Å; Y238-H241 WeakPolarHBondContact O-CB 3.48Å; Y238-H241 PolarHBondContact O-N 3.08Å; P239-H241 VanDerWaalsContact C-N 3.33Å; P239-H241 PolarHBondContact O-N 2.93Å; H241-I244 PolarHBondContact O-N 2.85Å; H241-T245 WeakPolarHBondContact O-CB 3.38Å; H241-T245 PolarHBondContact O-N 3.09Å; H241-T245 PolarHBondContact O-OG1 2.68Å
242	R	98.3	Very high	96.9	Very high	148 Å²	148	61.1 Å²	61.1	56%	0.558	30%	0.301	S	S	*	.	H	α-helix	trans	-62.4	-49	177.4	-62.5	179.9	-164.1	175.6	4.3	111.3	D237 Y238 P239 I244 T245 E246	D237-R242 PolarHBondContact O-NE 2.98Å; D237-R242 PolarHBondContact O-NH2 2.84Å; Y238-R242 PolarHBondContact O-N 3.24Å; Y238-R242 VanDerWaalsContact O-N 3.09Å; P239-R242 PolarHBondContact O-N 3.43Å; R242-I244 VanDerWaalsContact C-N 3.34Å; R242-I244 PolarHBondContact O-N 3.47Å; R242-T245 WeakPolarHBondContact O-CB 3.4Å; R242-T245 PolarHBondContact O-N 2.93Å; R242-T245 VanDerWaalsContact O-N 3.13Å; R242-E246 WeakPolarHBondContact O-CG 3.42Å; R242-E246 PolarHBondContact O-N 3.01Å
243	L	97.7	Very high	96.4	Very high	53 Å²	53	64.3 Å²	64.3	28%	0.277	33%	0.334	S	S	.	.	H	α-helix	trans	-61.9	-39.4	180	-71.2	168.4	0	0	0	112.9	A217 F220 P239 M240 I247	A217-L243 HydrophobicContact CB-CD1 4.03Å; F220-L243 HydrophobicContact CB-CB 4.44Å; F220-L243 HydrophobicContact CB-CD1 3.71Å; F220-L243 HydrophobicContact CD2-CB 3.47Å; F220-L243 VanDerWaalsContact CD2-CB 3.47Å; F220-L243 HydrophobicContact CD2-CD1 4.28Å; F220-L243 HydrophobicContact CE2-CB 3.97Å; F220-L243 HydrophobicContact CG-CB 3.9Å; F220-L243 HydrophobicContact CG-CD1 3.87Å; P239-L243 WeakPolarHBondContact O-CB 3.39Å; P239-L243 VanDerWaalsContact O-CG 3.24Å; P239-L243 WeakPolarHBondContact O-CG 3.5Å; P239-L243 PolarHBondContact O-N 3.1Å; M240-L243 PolarHBondContact O-N 2.79Å; L243-I247 PolarHBondContact O-N 3.47Å
244	I	97.4	Very high	96.2	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-66.7	-42.9	175.2	-67.9	168.7	0	0	0	110.6	F220 A232 A234 M240 H241 R242 I247 H248 F255 T259	F220-I244 HydrophobicContact CD2-CG1 3.82Å; F220-I244 HydrophobicContact CE2-CG1 3.67Å; A232-I244 HydrophobicContact CB-CD1 4.28Å; A234-I244 HydrophobicContact CB-CD1 4.07Å; M240-I244 HydrophobicContact CE-CD1 3.9Å; M240-I244 HydrophobicContact CG-CD1 3.89Å; M240-I244 VanDerWaalsContact O-CG1 3.26Å; M240-I244 WeakPolarHBondContact O-CG1 3.08Å; M240-I244 PolarHBondContact O-N 2.87Å; H241-I244 PolarHBondContact O-N 2.85Å; R242-I244 VanDerWaalsContact C-N 3.34Å; R242-I244 PolarHBondContact O-N 3.47Å; I244-I247 PolarHBondContact O-N 3.14Å; I244-H248 PolarHBondContact O-N 2.66Å; I244-F255 HydrophobicContact CD1-CE1 4.47Å; I244-F255 HydrophobicContact CD1-CE2 4.14Å; I244-F255 HydrophobicContact CD1-CZ 3.76Å; I244-F255 HydrophobicContact CG1-CD2 4.4Å; I244-F255 HydrophobicContact CG1-CE2 3.79Å; I244-F255 HydrophobicContact CG1-CZ 3.86Å; I244-F255 HydrophobicContact CG2-CD1 4.01Å; I244-F255 HydrophobicContact CG2-CD2 4.4Å; I244-F255 HydrophobicContact CG2-CE1 3.9Å; I244-F255 HydrophobicContact CG2-CE2 4.32Å; I244-F255 HydrophobicContact CG2-CG 4.26Å; I244-F255 HydrophobicContact CG2-CZ 4.06Å; I244-T259 HydrophobicContact CD1-CG2 4.32Å; I244-T259 HydrophobicContact CG2-CG2 3.73Å; I244-T259 VanDerWaalsContact CG2-OG1 3.3Å; I244-T259 WeakPolarHBondContact CG2-OG1 3.4Å
245	T	97	Very high	96	Very high	48 Å²	48	69.8 Å²	69.8	29%	0.294	36%	0.359	S	S	.	.	H	α-helix	trans	-61.3	-47.5	178.2	-56.9	0	0	0	0	111	H241 R242 I247 H248 E249	H241-T245 WeakPolarHBondContact O-CB 3.38Å; H241-T245 PolarHBondContact O-N 3.09Å; H241-T245 PolarHBondContact O-OG1 2.68Å; R242-T245 WeakPolarHBondContact O-CB 3.4Å; R242-T245 PolarHBondContact O-N 2.93Å; R242-T245 VanDerWaalsContact O-N 3.13Å; T245-I247 VanDerWaalsContact C-N 3.27Å; T245-I247 PolarHBondContact O-N 2.95Å; T245-H248 WeakPolarHBondContact O-CB 3.28Å; T245-H248 PolarHBondContact O-N 3.27Å; T245-H248 VanDerWaalsContact O-N 3.13Å; T245-E249 WeakPolarHBondContact O-CG 3.42Å; T245-E249 PolarHBondContact O-N 3.36Å
246	E	96.7	Very high	96	Very high	108 Å²	108	75.7 Å²	75.7	51%	0.505	39%	0.385	S	S	.	.	H	α-helix	trans	-56.8	-39.5	176.4	-74	169.7	-164	0	0	112.3	R242 E249 A250	R242-E246 WeakPolarHBondContact O-CG 3.42Å; R242-E246 PolarHBondContact O-N 3.01Å; E246-E249 PolarHBondContact O-N 3.32Å; E246-A250 WeakPolarHBondContact O-CB 3.41Å; E246-A250 PolarHBondContact O-N 3.02Å
247	I	95.6	Very high	95.9	Very high	22 Å²	22	70.3 Å²	70.3	11%	0.113	37%	0.366	C	S	.	.	H	α-helix	trans	-72.7	-38.8	177.6	-75.2	165.6	0	0	0	111.9	F220 L243 I244 T245 E249 R251 E254 F255	F220-I247 HydrophobicContact CE1-CD1 3.78Å; F220-I247 HydrophobicContact CE2-CD1 3.71Å; F220-I247 HydrophobicContact CZ-CD1 3.04Å; F220-I247 HydrophobicContact CZ-CG1 4.47Å; L243-I247 PolarHBondContact O-N 3.47Å; I244-I247 PolarHBondContact O-N 3.14Å; T245-I247 VanDerWaalsContact C-N 3.27Å; T245-I247 PolarHBondContact O-N 2.95Å; I247-E249 VanDerWaalsContact C-N 3.27Å; I247-E249 PolarHBondContact O-N 3.21Å; I247-R251 CarbonylContact O-C 3.59Å; I247-R251 VanDerWaalsContact O-C 3.26Å; I247-R251 WeakPolarHBondContact O-CA 3.14Å; I247-R251 PolarHBondContact O-N 2.76Å; I247-E254 HydrophobicContact CG2-CB 4.43Å; I247-F255 HydrophobicContact CG2-CB 3.91Å
248	H	93.8	Very high	95.9	Very high	71 Å²	71	67.9 Å²	67.9	33%	0.329	36%	0.355	S	S	.	.	H	α-helix	trans	-60.1	-40.6	173.6	-76.2	154.4	0	0	0	112	I244 T245 P252 F255 T259	I244-H248 PolarHBondContact O-N 2.66Å; T245-H248 WeakPolarHBondContact O-CB 3.28Å; T245-H248 PolarHBondContact O-N 3.27Å; T245-H248 VanDerWaalsContact O-N 3.13Å; H248-P252 WeakPolarHBondContact O-CG 3.32Å; H248-F255 AromaticContact CE1-CD1 3.93Å; H248-F255 AromaticContact NE2-CD1 3.44Å; H248-F255 WeakPolarHBondContact NE2-CD1 3.39Å; H248-F255 AromaticContact NE2-CG 3.89Å; H248-T259 PolarHBondContact CE1-OG1 3.01Å
249	E	94.8	Very high	95.8	Very high	149 Å²	149	66.8 Å²	66.8	70%	0.696	35%	0.354	S	S	*	.	H	α-helix	trans	-71.9	-48.3	178.7	-70	176	176.3	0	0	112.1	T245 E246 I247	T245-E249 WeakPolarHBondContact O-CG 3.42Å; T245-E249 PolarHBondContact O-N 3.36Å; E246-E249 PolarHBondContact O-N 3.32Å; I247-E249 VanDerWaalsContact C-N 3.27Å; I247-E249 PolarHBondContact O-N 3.21Å
250	A	96.4	Very high	95.8	Very high	74 Å²	74	65.2 Å²	65.2	61%	0.612	34%	0.343	S	S	*	.	H	α-helix	trans	-75.5	-31.6	-175.9	0	0	0	0	0	113.1	E246	E246-A250 WeakPolarHBondContact O-CB 3.41Å; E246-A250 PolarHBondContact O-N 3.02Å
251	R	94	Very high	95.8	Very high	123 Å²	123	67.2 Å²	67.2	46%	0.464	36%	0.357	S	S	.	.	S	Bend	trans	-145.3	71.5	-170.7	-52.8	179	-147.6	169.3	3.3	111.3	I247 G253 E254	I247-R251 CarbonylContact O-C 3.59Å; I247-R251 VanDerWaalsContact O-C 3.26Å; I247-R251 WeakPolarHBondContact O-CA 3.14Å; I247-R251 PolarHBondContact O-N 2.76Å; R251-G253 PolarHBondContact O-N 2.77Å; R251-E254 HydrophobicContact CB-CB 3.89Å; R251-E254 WeakPolarHBondContact CB-OE2 3.21Å; R251-E254 WeakPolarHBondContact CD-OE2 3.43Å; R251-E254 IonicContact CZ-OE1 3.78Å; R251-E254 IonicContact NE-OE2 3.62Å; R251-E254 IonicContact NH1-OE1 2.84Å; R251-E254 PolarHBondContact NH1-OE1 3.36Å; R251-E254 IonicContact NH1-OE2 2.67Å; R251-E254 WeakPolarHBondContact O-CB 3.35Å; R251-E254 PolarHBondContact O-N 3.04Å; R251-E254 VanDerWaalsContact O-N 3.08Å
252	P	90.6	Very high	95.8	Very high	112 Å²	112	65.8 Å²	65.8	73%	0.727	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	128	-179.4	-25.5	33.7	0	0	0	112.3	H248	H248-P252 WeakPolarHBondContact O-CG 3.32Å
253	G	89	Confident	95.8	Very high	66 Å²	66	61.2 Å²	61.2	68%	0.68	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	-5.6	179.5	0	0	0	0	0	116	R251	R251-G253 PolarHBondContact O-N 2.77Å
254	E	92.9	Very high	95.9	Very high	104 Å²	104	59.7 Å²	59.7	49%	0.486	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-41.1	173.8	-173.6	169.5	141.4	0	0	111.6	I247 R251 K256	I247-E254 HydrophobicContact CG2-CB 4.43Å; R251-E254 HydrophobicContact CB-CB 3.89Å; R251-E254 WeakPolarHBondContact CB-OE2 3.21Å; R251-E254 WeakPolarHBondContact CD-OE2 3.43Å; R251-E254 IonicContact CZ-OE1 3.78Å; R251-E254 IonicContact NE-OE2 3.62Å; R251-E254 IonicContact NH1-OE1 2.84Å; R251-E254 PolarHBondContact NH1-OE1 3.36Å; R251-E254 IonicContact NH1-OE2 2.67Å; R251-E254 WeakPolarHBondContact O-CB 3.35Å; R251-E254 PolarHBondContact O-N 3.04Å; R251-E254 VanDerWaalsContact O-N 3.08Å; E254-K256 PolarHBondContact O-N 3.3Å
255	F	95.7	Very high	95.9	Very high	11 Å²	11	59.7 Å²	59.7	5%	0.048	34%	0.338	C	S	.	.	S	Bend	trans	-80.3	115.1	171.3	-167.4	-91.1	0	0	0	109.8	F220 S223 L224 A232 I244 I247 H248 A257 T259	F220-F255 HydrophobicContact CE2-CE2 4.35Å; S223-F255 WeakPolarHBondContact OG-CE2 3.48Å; L224-F255 HydrophobicContact CD2-CD2 4.42Å; A232-F255 HydrophobicContact CB-CE1 4.44Å; A232-F255 HydrophobicContact CB-CZ 4.06Å; I244-F255 HydrophobicContact CD1-CE1 4.47Å; I244-F255 HydrophobicContact CD1-CE2 4.14Å; I244-F255 HydrophobicContact CD1-CZ 3.76Å; I244-F255 HydrophobicContact CG1-CD2 4.4Å; I244-F255 HydrophobicContact CG1-CE2 3.79Å; I244-F255 HydrophobicContact CG1-CZ 3.86Å; I244-F255 HydrophobicContact CG2-CD1 4.01Å; I244-F255 HydrophobicContact CG2-CD2 4.4Å; I244-F255 HydrophobicContact CG2-CE1 3.9Å; I244-F255 HydrophobicContact CG2-CE2 4.32Å; I244-F255 HydrophobicContact CG2-CG 4.26Å; I244-F255 HydrophobicContact CG2-CZ 4.06Å; I247-F255 HydrophobicContact CG2-CB 3.91Å; H248-F255 AromaticContact CE1-CD1 3.93Å; H248-F255 AromaticContact NE2-CD1 3.44Å; H248-F255 WeakPolarHBondContact NE2-CD1 3.39Å; H248-F255 AromaticContact NE2-CG 3.89Å; F255-A257 HydrophobicContact CD1-CB 4.44Å; F255-A257 WeakPolarHBondContact CD1-O 3.21Å; F255-A257 HydrophobicContact CE1-CB 3.68Å; F255-A257 WeakPolarHBondContact CE1-O 3.41Å; F255-A257 HydrophobicContact CZ-CB 4.05Å; F255-T259 VanDerWaalsContact CE1-OG1 3.23Å; F255-T259 WeakPolarHBondContact CE1-OG1 3.46Å
256	K	96.9	Very high	95.9	Very high	144 Å²	144	61.5 Å²	61.5	63%	0.626	35%	0.345	S	S	*	.			trans	-87	-36.4	-169.7	-62.9	177.3	-175.4	173.3	0	113	P228 E254	P228-K256 VanDerWaalsContact CA-O 3.27Å; P228-K256 WeakPolarHBondContact CA-O 3.43Å; E254-K256 PolarHBondContact O-N 3.3Å
257	A	97.6	Very high	96	Very high	6 Å²	6	58.9 Å²	58.9	5%	0.05	34%	0.335	C	S	.	.	S	Bend	trans	-69.8	154.9	-170.5	0	0	0	0	0	112.2	L226 G227 F255 T259	L226-A257 HydrophobicContact CB-CB 3.55Å; L226-A257 HydrophobicContact CD1-CB 4.25Å; G227-A257 WeakPolarHBondContact O-CA 3.48Å; F255-A257 HydrophobicContact CD1-CB 4.44Å; F255-A257 WeakPolarHBondContact CD1-O 3.21Å; F255-A257 HydrophobicContact CE1-CB 3.68Å; F255-A257 WeakPolarHBondContact CE1-O 3.41Å; F255-A257 HydrophobicContact CZ-CB 4.05Å; A257-T259 PolarHBondContact O-N 2.73Å
258	V	96.8	Very high	96.1	Very high	45 Å²	45	57.8 Å²	57.8	27%	0.273	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	118.7	171.1	-178.3	0	0	0	0	108.8	D230 T231 A232 V260	D230-V258 PolarHBondContact O-N 3.34Å; T231-V258 CarbonylContact C-O 3.26Å; T231-V258 VanDerWaalsContact CA-O 3.25Å; T231-V258 WeakPolarHBondContact CA-O 3.49Å; T231-V258 WeakPolarHBondContact CG2-O 3.48Å; A232-V258 PolarHBondContact N-O 3.21Å; V258-V260 HydrophobicContact CG1-CG2 4.3Å
259	T	96.9	Very high	96.3	Very high	34 Å²	34	54.6 Å²	54.6	21%	0.209	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	129.9	176.6	-50.9	0	0	0	0	110.8	A232 I244 H248 F255 A257	A232-T259 WeakPolarHBondContact O-CA 3.49Å; I244-T259 HydrophobicContact CD1-CG2 4.32Å; I244-T259 HydrophobicContact CG2-CG2 3.73Å; I244-T259 VanDerWaalsContact CG2-OG1 3.3Å; I244-T259 WeakPolarHBondContact CG2-OG1 3.4Å; H248-T259 PolarHBondContact CE1-OG1 3.01Å; F255-T259 VanDerWaalsContact CE1-OG1 3.23Å; F255-T259 WeakPolarHBondContact CE1-OG1 3.46Å; A257-T259 PolarHBondContact O-N 2.73Å
260	V	97.8	Very high	96.4	Very high	20 Å²	20	52.1 Å²	52.1	12%	0.121	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	107	174.4	180	0	0	0	0	108.6	T231 A232 F233 A234 V258 W262 R271	T231-V260 HydrophobicContact CG2-CB 4.22Å; T231-V260 HydrophobicContact CG2-CG2 3.73Å; A232-V260 PolarHBondContact O-N 3.41Å; F233-V260 VanDerWaalsContact CA-O 3.31Å; F233-V260 WeakPolarHBondContact CA-O 3.44Å; F233-V260 HydrophobicContact CD1-CB 3.7Å; F233-V260 HydrophobicContact CD1-CG1 3.81Å; F233-V260 HydrophobicContact CE1-CB 3.87Å; F233-V260 HydrophobicContact CE1-CG1 3.79Å; F233-V260 HydrophobicContact CE1-CG2 4.34Å; A234-V260 PolarHBondContact N-O 3.12Å; V258-V260 HydrophobicContact CG1-CG2 4.3Å; V260-W262 PolarHBondContact O-N 3.36Å; V260-R271 HydrophobicContact CG2-CG 4.35Å
261	P	98.1	Very high	96.3	Very high	43 Å²	43	52.2 Å²	52.2	28%	0.279	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	127.5	173.6	26	-31.1	0	0	0	110.5	A234 R236	A234-P261 VanDerWaalsContact O-CA 3.25Å; A234-P261 WeakPolarHBondContact O-CA 3.34Å; R236-P261 HydrophobicContact CB-CB 4.31Å; R236-P261 HydrophobicContact CG-CB 4.41Å
262	W	98.5	Very high	96.4	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	141.4	178.8	71	-83.7	0	0	0	111.5	T46 M112 V213 G214 F233 A234 R235 R236 V260 D267 V268	T46-W262 HydrophobicContact CG2-CZ2 4.24Å; T46-W262 WeakPolarHBondContact O-CH2 3.34Å; M112-W262 HydrophobicContact CE-CH2 4.31Å; M112-W262 HydrophobicContact CE-CZ3 4.47Å; V213-W262 HydrophobicContact CG1-CZ2 4.24Å; G214-W262 PolarHBondContact O-NE1 3.3Å; F233-W262 VanDerWaalsContact C-CD1 3.42Å; F233-W262 PolarHBondContact O-NE1 3.31Å; A234-W262 VanDerWaalsContact O-CD1 3.28Å; A234-W262 PolarHBondContact O-N 3.3Å; R235-W262 CarbonylContact C-O 3.58Å; R235-W262 VanDerWaalsContact CA-NE1 3.32Å; R235-W262 WeakPolarHBondContact CA-O 3.47Å; R235-W262 HydrophobicContact CB-CD2 4.4Å; R235-W262 HydrophobicContact CB-CH2 4.45Å; R235-W262 HydrophobicContact CB-CZ2 3.66Å; R235-W262 HydrophobicContact CG-CD2 4.36Å; R235-W262 HydrophobicContact CG-CH2 4.03Å; R235-W262 HydrophobicContact CG-CZ2 3.74Å; R235-W262 HydrophobicContact CG-CZ3 4.46Å; R236-W262 WeakPolarHBondContact CB-O 3.49Å; R236-W262 PolarHBondContact N-O 3.23Å; V260-W262 PolarHBondContact O-N 3.36Å; W262-D267 HydrophobicContact CB-CB 4.08Å; W262-V268 HydrophobicContact CB-CG2 3.99Å; W262-V268 HydrophobicContact CD2-CG2 4.39Å; W262-V268 HydrophobicContact CG-CG2 4.08Å
263	A	98.1	Very high	96.5	Very high	53 Å²	53	46.6 Å²	46.6	44%	0.438	25%	0.252	S	S	.	.	S	Bend	trans	-112.8	-25.7	172	0	0	0	0	0	111.9	D267	A263-D267 PolarHBondContact N-OD2 3.32Å
264	S	98.5	Very high	96.5	Very high	20 Å²	20	48.2 Å²	48.2	14%	0.14	24%	0.241	C	C	.	.	S	Bend	trans	-134.7	154.1	175.6	178	0	0	0	0	110.3	P110 G111 D266 D267	P110-S264 CarbonylContact O-C 3.57Å; P110-S264 WeakPolarHBondContact O-CA 3.5Å; P110-S264 PolarHBondContact O-OG 3.29Å; G111-S264 WeakPolarHBondContact CA-OG 3.39Å; G111-S264 PolarHBondContact N-OG 3.49Å; S264-D266 PolarHBondContact O-N 3.46Å; S264-D266 VanDerWaalsContact O-N 3.09Å; S264-D266 PolarHBondContact OG-N 2.97Å; S264-D266 PolarHBondContact OG-OD2 3.26Å; S264-D267 PolarHBondContact N-OD2 3.15Å; S264-D267 WeakPolarHBondContact O-CB 3.18Å; S264-D267 PolarHBondContact O-N 3.01Å
265	G	98.3	Very high	95.9	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-55.8	-23.1	169.7	0	0	0	0	0	112.9	P110 D267 V268 V269	P110-G265 PolarHBondContact O-N 3.26Å; G265-D267 VanDerWaalsContact C-N 3.33Å; G265-D267 PolarHBondContact O-N 3.45Å; G265-V268 WeakPolarHBondContact O-CB 3.28Å; G265-V268 PolarHBondContact O-N 3.33Å; G265-V269 WeakPolarHBondContact O-CG2 3.2Å; G265-V269 PolarHBondContact O-N 3.26Å
266	D	97.9	Very high	94.9	Very high	86 Å²	86	43.9 Å²	43.9	46%	0.46	22%	0.222	S	C	.	.	H	α-helix	trans	-62.9	-35.9	173.9	-61.6	-54.5	0	0	0	113	S264 V268 V269 E270	S264-D266 PolarHBondContact O-N 3.46Å; S264-D266 VanDerWaalsContact O-N 3.09Å; S264-D266 PolarHBondContact OG-N 2.97Å; S264-D266 PolarHBondContact OG-OD2 3.26Å; D266-V268 VanDerWaalsContact C-N 3.28Å; D266-V268 PolarHBondContact O-N 2.73Å; D266-V269 PolarHBondContact O-N 3.22Å; D266-E270 PolarHBondContact O-N 2.82Å
267	D	98.1	Very high	93.9	Very high	53 Å²	53	43.4 Å²	43.4	28%	0.283	22%	0.222	S	C	.	.	H	α-helix	trans	-63.1	-40.4	175.8	-58	-44.2	0	0	0	110.5	W262 A263 S264 G265 R271	W262-D267 HydrophobicContact CB-CB 4.08Å; A263-D267 PolarHBondContact N-OD2 3.32Å; S264-D267 PolarHBondContact N-OD2 3.15Å; S264-D267 WeakPolarHBondContact O-CB 3.18Å; S264-D267 PolarHBondContact O-N 3.01Å; G265-D267 VanDerWaalsContact C-N 3.33Å; G265-D267 PolarHBondContact O-N 3.45Å; D267-R271 PolarHBondContact O-N 3.41Å
268	V	98.3	Very high	92.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66	-46.9	176.1	-175.7	0	0	0	0	109.6	L115 V213 F233 W262 G265 D266 E270 R271 L272	L115-V268 HydrophobicContact CD1-CB 4.36Å; L115-V268 HydrophobicContact CD1-CG1 4.04Å; L115-V268 HydrophobicContact CD2-CB 3.88Å; L115-V268 HydrophobicContact CD2-CG1 3.79Å; L115-V268 HydrophobicContact CD2-CG2 4.37Å; V213-V268 HydrophobicContact CG1-CG2 4.47Å; V213-V268 HydrophobicContact CG2-CG1 4.3Å; F233-V268 HydrophobicContact CB-CG2 4.47Å; F233-V268 HydrophobicContact CD1-CB 4.42Å; F233-V268 HydrophobicContact CD1-CG1 4.31Å; F233-V268 HydrophobicContact CD1-CG2 3.96Å; F233-V268 HydrophobicContact CD2-CG1 4.15Å; F233-V268 HydrophobicContact CE1-CB 4.34Å; F233-V268 HydrophobicContact CE1-CG1 4.14Å; F233-V268 HydrophobicContact CE1-CG2 4.36Å; F233-V268 HydrophobicContact CE2-CG1 3.94Å; F233-V268 HydrophobicContact CG-CG1 4.31Å; F233-V268 HydrophobicContact CG-CG2 4.21Å; F233-V268 HydrophobicContact CZ-CG1 3.94Å; W262-V268 HydrophobicContact CB-CG2 3.99Å; W262-V268 HydrophobicContact CD2-CG2 4.39Å; W262-V268 HydrophobicContact CG-CG2 4.08Å; G265-V268 WeakPolarHBondContact O-CB 3.28Å; G265-V268 PolarHBondContact O-N 3.33Å; D266-V268 VanDerWaalsContact C-N 3.28Å; D266-V268 PolarHBondContact O-N 2.73Å; V268-E270 VanDerWaalsContact C-N 3.35Å; V268-E270 PolarHBondContact O-N 3.06Å; V268-R271 PolarHBondContact O-N 3.2Å; V268-L272 HydrophobicContact CG1-CD1 3.98Å; V268-L272 HydrophobicContact CG1-CG 4.18Å; V268-L272 VanDerWaalsContact O-CG 3.28Å; V268-L272 WeakPolarHBondContact O-CG 3.28Å; V268-L272 PolarHBondContact O-N 3.18Å
269	V	98.1	Very high	89.9	Confident	3 Å²	3	59 Å²	59	2%	0.018	29%	0.287	C	S	.	.	H	α-helix	trans	-56.9	-47.2	177.1	172.2	0	0	0	0	111.5	L115 F118 G265 D266 R271 L272 R273	L115-V269 HydrophobicContact CB-CG2 3.85Å; L115-V269 HydrophobicContact CD1-CG2 3.51Å; L115-V269 HydrophobicContact CG-CG2 4.27Å; F118-V269 HydrophobicContact CB-CG1 4.25Å; F118-V269 HydrophobicContact CB-CG2 3.91Å; F118-V269 HydrophobicContact CD1-CG1 4.23Å; F118-V269 HydrophobicContact CD1-CG2 4.15Å; F118-V269 HydrophobicContact CD2-CG1 3.77Å; F118-V269 HydrophobicContact CE2-CG1 4.13Å; F118-V269 HydrophobicContact CG-CG1 3.81Å; F118-V269 HydrophobicContact CG-CG2 4.04Å; G265-V269 WeakPolarHBondContact O-CG2 3.2Å; G265-V269 PolarHBondContact O-N 3.26Å; D266-V269 PolarHBondContact O-N 3.22Å; V269-R271 VanDerWaalsContact C-N 3.26Å; V269-R271 PolarHBondContact O-N 3.4Å; V269-L272 PolarHBondContact O-N 3.49Å; V269-R273 PolarHBondContact O-N 3.4Å
270	E	96.2	Very high	89.6	Confident	98 Å²	98	60.3 Å²	60.3	46%	0.458	29%	0.291	S	S	.	.	H	α-helix	trans	-57.4	-44	179.9	-166.3	-159.9	141.9	0	0	111	D266 V268 K274	D266-E270 PolarHBondContact O-N 2.82Å; V268-E270 VanDerWaalsContact C-N 3.35Å; V268-E270 PolarHBondContact O-N 3.06Å; E270-K274 WeakPolarHBondContact OE1-CE 3.43Å; E270-K274 IonicContact OE1-NZ 3.31Å; E270-K274 PolarHBondContact OE1-NZ 3.41Å
271	R	95	Very high	89.2	Confident	75 Å²	75	62.4 Å²	62.4	28%	0.283	30%	0.3	S	S	.	.	H	α-helix	trans	-68.9	-39.7	179	-172.3	61.4	177.5	-130.3	6.4	112.6	F233 V260 D267 V268 V269 K274 H275	F233-R271 HydrophobicContact CE1-CB 3.64Å; F233-R271 HydrophobicContact CE1-CG 3.75Å; F233-R271 HydrophobicContact CZ-CB 3.69Å; F233-R271 HydrophobicContact CZ-CG 3.61Å; V260-R271 HydrophobicContact CG2-CG 4.35Å; D267-R271 PolarHBondContact O-N 3.41Å; V268-R271 PolarHBondContact O-N 3.2Å; V269-R271 VanDerWaalsContact C-N 3.26Å; V269-R271 PolarHBondContact O-N 3.4Å; R271-K274 PolarHBondContact O-N 3.14Å; R271-H275 PolarHBondContact NE-NE2 2.7Å; R271-H275 PolarHBondContact O-CD2 3.06Å; R271-H275 VanDerWaalsContact O-CD2 3.29Å
272	L	95.8	Very high	88.7	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66	-36.4	178.4	-68.8	-179.6	0	0	0	112.4	I39 L115 F118 L119 F127 F211 F233 V268 V269 K274 H275 A276	I39-L272 HydrophobicContact CD1-CD1 3.83Å; L115-L272 HydrophobicContact CD1-CD1 3.88Å; F118-L272 HydrophobicContact CD1-CD1 4.47Å; F118-L272 HydrophobicContact CE1-CB 3.78Å; F118-L272 HydrophobicContact CE1-CD1 4.07Å; F118-L272 HydrophobicContact CZ-CB 4.23Å; L119-L272 HydrophobicContact CD2-CD1 4.08Å; F127-L272 HydrophobicContact CE1-CD1 4.44Å; F127-L272 HydrophobicContact CE1-CD2 3.9Å; F127-L272 HydrophobicContact CZ-CB 4.25Å; F127-L272 HydrophobicContact CZ-CD1 4.42Å; F127-L272 HydrophobicContact CZ-CD2 4.12Å; F127-L272 HydrophobicContact CZ-CG 4.5Å; F211-L272 HydrophobicContact CD1-CD2 3.64Å; F211-L272 HydrophobicContact CD2-CD2 3.86Å; F211-L272 HydrophobicContact CE1-CD2 3.6Å; F211-L272 HydrophobicContact CE2-CD2 3.8Å; F211-L272 HydrophobicContact CG-CD2 3.76Å; F211-L272 HydrophobicContact CZ-CD2 3.64Å; F233-L272 HydrophobicContact CE2-CD2 4.29Å; F233-L272 HydrophobicContact CZ-CD2 4.43Å; V268-L272 HydrophobicContact CG1-CD1 3.98Å; V268-L272 HydrophobicContact CG1-CG 4.18Å; V268-L272 VanDerWaalsContact O-CG 3.28Å; V268-L272 WeakPolarHBondContact O-CG 3.28Å; V268-L272 PolarHBondContact O-N 3.18Å; V269-L272 PolarHBondContact O-N 3.49Å; L272-K274 PolarHBondContact O-N 3.24Å; L272-H275 PolarHBondContact O-N 3.08Å; L272-A276 WeakPolarHBondContact O-CB 3.25Å; L272-A276 PolarHBondContact O-N 3.22Å
273	R	92.8	Very high	88.1	Confident	117 Å²	117	67.2 Å²	67.2	44%	0.442	32%	0.319	S	S	.	.	H	α-helix	trans	-58	-47	176.4	-77.8	-174.1	-149.7	128.9	2.1	112.1	F118 V269 H275 A276 E277	F118-R273 HydrophobicContact CE2-CG 3.56Å; F118-R273 HydrophobicContact CZ-CG 3.78Å; V269-R273 PolarHBondContact O-N 3.4Å; R273-H275 PolarHBondContact O-N 3.04Å; R273-A276 PolarHBondContact O-N 2.79Å; R273-E277 WeakPolarHBondContact O-CG 3.4Å; R273-E277 PolarHBondContact O-N 2.85Å; R273-E277 VanDerWaalsContact O-N 3.08Å
274	K	87.6	Confident	87.5	Confident	101 Å²	101	68.1 Å²	68.1	44%	0.439	31%	0.311	S	S	.	.	H	α-helix	trans	-54	-43	179.8	-66.5	174.9	-173.6	168.6	0	111.3	E270 R271 L272 E278	E270-K274 WeakPolarHBondContact OE1-CE 3.43Å; E270-K274 IonicContact OE1-NZ 3.31Å; E270-K274 PolarHBondContact OE1-NZ 3.41Å; R271-K274 PolarHBondContact O-N 3.14Å; L272-K274 PolarHBondContact O-N 3.24Å; K274-E278 VanDerWaalsContact O-CG 3.25Å; K274-E278 WeakPolarHBondContact O-CG 3.16Å; K274-E278 PolarHBondContact O-N 3.37Å
275	H	80.9	Confident	86.7	Confident	14 Å²	14	71.3 Å²	71.3	7%	0.065	32%	0.323	C	S	.	.	H	α-helix	trans	-78.5	-25.1	178.9	-64.7	-45.9	0	0	0	114.8	R209 F211 R271 L272 R273 E278	R209-H275 VanDerWaalsContact CZ-CE1 3.41Å; R209-H275 PolarHBondContact NH1-CE1 3.14Å; R209-H275 PolarHBondContact NH1-NE2 2.98Å; R209-H275 PolarHBondContact NH2-CE1 2.86Å; R209-H275 PolarHBondContact NH2-ND1 2.71Å; F211-H275 AromaticContact CE1-CD2 3.75Å; F211-H275 HydrophobicContact CZ-CB 4.16Å; F211-H275 AromaticContact CZ-CD2 3.99Å; R271-H275 PolarHBondContact NE-NE2 2.7Å; R271-H275 PolarHBondContact O-CD2 3.06Å; R271-H275 VanDerWaalsContact O-CD2 3.29Å; L272-H275 PolarHBondContact O-N 3.08Å; R273-H275 PolarHBondContact O-N 3.04Å; H275-E278 IonicContact ND1-OE2 3.22Å; H275-E278 PolarHBondContact ND1-OE2 2.94Å; H275-E278 VanDerWaalsContact ND1-OE2 3.12Å
276	A	74.8	Confident	85.9	Confident	9 Å²	9	76.4 Å²	76.4	7%	0.074	35%	0.346	C	S	.	.	H	α-helix	trans	-80.9	-20.8	179.7	0	0	0	0	0	112.8	L272 R273	L272-A276 WeakPolarHBondContact O-CB 3.25Å; L272-A276 PolarHBondContact O-N 3.22Å; R273-A276 PolarHBondContact O-N 2.79Å
277	E	75.4	Confident	85	Confident	134 Å²	134	75.7 Å²	75.7	63%	0.626	34%	0.337	S	S	*	.	H	α-helix	trans	-92.2	-23.4	178.7	-69.7	169.3	-173.5	0	0	113.2	R273 K279	R273-E277 WeakPolarHBondContact O-CG 3.4Å; R273-E277 PolarHBondContact O-N 2.85Å; R273-E277 VanDerWaalsContact O-N 3.08Å; E277-K279 PolarHBondContact O-N 2.91Å
278	E	61	Low	83.9	Confident	116 Å²	116	77.6 Å²	77.6	54%	0.542	34%	0.341	S	S	.	.			trans	-63.7	101.7	167.2	-73.3	163.8	-179.3	0	0	109	K274 H275	K274-E278 VanDerWaalsContact O-CG 3.25Å; K274-E278 WeakPolarHBondContact O-CG 3.16Å; K274-E278 PolarHBondContact O-N 3.37Å; H275-E278 IonicContact ND1-OE2 3.22Å; H275-E278 PolarHBondContact ND1-OE2 2.94Å; H275-E278 VanDerWaalsContact ND1-OE2 3.12Å
279	K	50.9	Low	82.6	Confident	264 Å²	264	84.6 Å²	84.6	100%	1.148	37%	0.372	S	S	*	.			trans	-73.7	0	177.4	-80.9	-173.3	177.4	179.5	0	112.5	E277	E277-K279 PolarHBondContact O-N 2.91Å

Retrieved 279 of 279 residues in 55.9 ms (Link to these results)

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