A0A087YNL9_POEFO Loading...

Serine/threonine-protein kinase

Proto-oncogene with serine/threonine kinase activity involved in cell survival and cell proliferation.

AlphaFold DB , UniProt , Accession A0A087YNL9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 331 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	32.5	Very low	31.1	Very low	233 Å²	233	154.7 Å²	154.7	100%	1.148	84%	0.835	S	S	*	*				0	130	0	-85.2	-176.5	-178.7	0	0	108.4
2	L	32.8	Very low	31.6	Very low	161 Å²	161	155.6 Å²	155.6	84%	0.843	84%	0.836	S	S	*	*			trans	64.4	100.7	161.9	-69.2	140.6	0	0	0	116.8
3	L	28.5	Very low	31.5	Very low	156 Å²	156	151 Å²	151	82%	0.817	82%	0.823	S	S	*	*				48.6	110.7	61.4	-83	164.6	0	0	0	115
4	S	30.2	Very low	31.9	Very low	107 Å²	107	147.4 Å²	147.4	75%	0.748	82%	0.824	S	S	*	*				170.5	110.5	126.2	42.9	0	0	0	0	109.9
5	K	32.1	Very low	32	Very low	190 Å²	190	146.5 Å²	146.5	83%	0.826	82%	0.823	S	S	*	*				65.4	119.8	94.9	-75.7	-175.9	177.7	-179.6	0	113.7
6	L	31.7	Very low	32	Very low	170 Å²	170	147.6 Å²	147.6	89%	0.89	83%	0.826	S	S	*	*				-174.3	110.6	112.5	-93.9	154.3	0	0	0	110.9
7	N	28.6	Very low	32	Very low	161 Å²	161	149 Å²	149	86%	0.861	83%	0.827	S	S	*	*			trans	-76.6	134.1	149.2	-87.8	-14.5	0	0	0	107.6
8	S	30.6	Very low	32.2	Very low	104 Å²	104	147.4 Å²	147.4	73%	0.727	83%	0.825	S	S	*	*			trans	170.4	116.1	136.4	-175.7	0	0	0	0	109.8
9	L	32.3	Very low	32.2	Very low	167 Å²	167	144.9 Å²	144.9	87%	0.874	83%	0.825	S	S	*	*				-178.3	122.8	110.8	-93.8	160.5	0	0	0	109.1
10	A	31.2	Very low	32.2	Very low	76 Å²	76	147.7 Å²	147.7	63%	0.628	83%	0.827	S	S	*	*			trans	-79.2	165.2	172.4	0	0	0	0	0	111.3
11	H	31.7	Very low	32.2	Very low	177 Å²	177	148.4 Å²	148.4	82%	0.819	83%	0.826	S	S	*	*			trans	84.4	106.4	166.8	-62	-71.7	0	0	0	117.4
12	I	36.9	Very low	32.1	Very low	165 Å²	165	146 Å²	146	85%	0.846	81%	0.812	S	S	*	*				-151.2	122.5	116.6	-87	141.4	0	0	0	108.7
13	S	30	Very low	32.2	Very low	96 Å²	96	145.2 Å²	145.2	67%	0.671	81%	0.808	S	S	*	*			trans	21.8	125.1	160.5	60.1	0	0	0	0	122
14	A	37.8	Very low	32.4	Very low	101 Å²	101	146 Å²	146	84%	0.835	81%	0.808	S	S	*	*			trans	-54.5	134.8	157.8	0	0	0	0	0	112.9
15	V	32.9	Very low	32.7	Very low	134 Å²	134	147.5 Å²	147.5	81%	0.812	81%	0.812	S	S	*	*			trans	-139.4	126.9	151.1	-171.6	0	0	0	0	106.8
16	D	33	Very low	32.7	Very low	164 Å²	164	146.6 Å²	146.6	88%	0.877	81%	0.811	S	S	*	*			trans	-52.9	133.1	-173.4	-81.5	-47.9	0	0	0	114.7
17	M	31.9	Very low	32.8	Very low	171 Å²	171	147 Å²	147	84%	0.842	81%	0.808	S	S	*	*			trans	-133.1	136	162.9	-85	-81.4	-78	0	0	108.6
18	P	34.3	Very low	33.4	Very low	120 Å²	120	146 Å²	146	78%	0.779	81%	0.807	S	S	*	*			trans	-66.3	145.7	-169.5	-5.6	14.8	0	0	0	113.2	K20	P18-K20 PolarHBondContact O-N 3.18Å
19	A	32.1	Very low	34	Very low	101 Å²	101	150.4 Å²	150.4	84%	0.835	81%	0.813	S	S	*	*			trans	-46.5	113.8	-174.5	0	0	0	0	0	113.9	M21	A19-M21 PolarHBondContact O-N 2.83Å
20	K	32.2	Very low	35.5	Very low	199 Å²	199	151.4 Å²	151.4	87%	0.865	81%	0.813	S	S	*	*			trans	-65	110.9	158.8	-78.1	179.7	175.7	177.9	0	108.1	P18 Q22	P18-K20 PolarHBondContact O-N 3.18Å; K20-Q22 PolarHBondContact O-N 2.71Å
21	M	32.5	Very low	37.7	Very low	163 Å²	163	152.6 Å²	152.6	80%	0.803	81%	0.805	S	S	*	*			trans	-63.2	98	165.5	-155.5	162.8	78.4	0	0	107.4	A19 L23	A19-M21 PolarHBondContact O-N 2.83Å; M21-L23 VanDerWaalsContact C-N 3.28Å; M21-L23 PolarHBondContact O-N 3.19Å
22	Q	30.6	Very low	40.4	Very low	183 Å²	183	150.1 Å²	150.1	86%	0.855	79%	0.793	S	S	*	*			trans	-65.6	91.9	170.2	-78.6	176	-8.7	0	0	107.8	K20 Q24	K20-Q22 PolarHBondContact O-N 2.71Å; Q22-Q24 PolarHBondContact O-N 3.25Å; Q22-Q24 VanDerWaalsContact O-N 3.1Å
23	L	35.2	Very low	43	Very low	144 Å²	144	144.5 Å²	144.5	75%	0.754	77%	0.771	S	S	*	*			trans	-64.6	106.4	161.3	-87.9	146.8	0	0	0	106.7	M21 V25	M21-L23 VanDerWaalsContact C-N 3.28Å; M21-L23 PolarHBondContact O-N 3.19Å; L23-V25 PolarHBondContact O-N 3.14Å; L23-V25 VanDerWaalsContact O-N 3.1Å
24	Q	32.6	Very low	46.2	Very low	174 Å²	174	140.4 Å²	140.4	81%	0.813	74%	0.742	S	S	*	*			trans	-52.5	118.7	165.1	-74.1	178.1	-7.7	0	0	107.3	Q22 Q26	Q22-Q24 PolarHBondContact O-N 3.25Å; Q22-Q24 VanDerWaalsContact O-N 3.1Å; Q24-Q26 PolarHBondContact O-N 3.45Å
25	V	35.3	Very low	48.9	Very low	137 Å²	137	141.2 Å²	141.2	83%	0.83	73%	0.728	S	S	*	*			trans	-61.1	93.1	165.3	-179.5	0	0	0	0	105.8	L23 Q27	L23-V25 PolarHBondContact O-N 3.14Å; L23-V25 VanDerWaalsContact O-N 3.1Å; V25-Q27 PolarHBondContact O-N 3.02Å
26	Q	33.5	Very low	51.9	Low	172 Å²	172	142.1 Å²	142.1	80%	0.804	72%	0.721	S	S	*	*			trans	-59.9	112.5	164.1	-95.8	174.1	-14.2	0	0	105.8	Q24 V28	Q24-Q26 PolarHBondContact O-N 3.45Å; Q26-V28 PolarHBondContact O-N 3.2Å
27	Q	32.8	Very low	55	Low	179 Å²	179	136.5 Å²	136.5	84%	0.836	69%	0.691	S	S	*	*			trans	-47.5	118.7	166.2	-81.6	178.7	-26.5	0	0	107.5	V25 K29	V25-Q27 PolarHBondContact O-N 3.02Å; Q27-K29 VanDerWaalsContact C-N 3.29Å; Q27-K29 PolarHBondContact O-N 3.41Å
28	V	41.2	Very low	58.2	Low	140 Å²	140	129.3 Å²	129.3	85%	0.848	65%	0.654	S	S	*	*			trans	-63	98.2	171	-178.8	0	0	0	0	105.5	Q26 E30	Q26-V28 PolarHBondContact O-N 3.2Å; V28-E30 PolarHBondContact O-N 3.32Å
29	K	44.4	Very low	61.2	Low	195 Å²	195	130.2 Å²	130.2	85%	0.848	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-55	124.4	166.7	-98.1	-175.3	172.2	-175.5	0	106.3	Q27 K31	Q27-K29 VanDerWaalsContact C-N 3.29Å; Q27-K29 PolarHBondContact O-N 3.41Å; K29-K31 PolarHBondContact O-N 3.27Å; K29-K31 VanDerWaalsContact O-N 3.16Å
30	E	62.9	Low	64.4	Low	188 Å²	188	128.7 Å²	128.7	88%	0.879	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-51.4	125.4	167.6	-80.5	-175.8	158.8	0	0	108	V28 E32	V28-E30 PolarHBondContact O-N 3.32Å; E30-E32 PolarHBondContact O-N 3.02Å
31	K	78.6	Confident	67.5	Low	102 Å²	102	121.1 Å²	121.1	44%	0.443	61%	0.607	S	S	.	*	P	Polyproline II helix	trans	-63.9	131.1	178.5	-171.6	177	-176.4	174.8	0	108.6	K29 D108 W109 F110	K29-K31 PolarHBondContact O-N 3.27Å; K29-K31 VanDerWaalsContact O-N 3.16Å; K31-D108 WeakPolarHBondContact CE-OD2 3.43Å; K31-D108 IonicContact NZ-OD1 2.62Å; K31-D108 PolarHBondContact NZ-OD1 2.86Å; K31-D108 IonicContact NZ-OD2 2.91Å; K31-D108 PolarHBondContact NZ-OD2 2.79Å; K31-W109 PolarHBondContact NZ-O 2.96Å; K31-F110 HydrophobicContact CD-CD1 4.22Å; K31-F110 HydrophobicContact CD-CE1 4.05Å; K31-F110 HydrophobicContact CG-CE1 4.37Å
32	E	87	Confident	70.6	Confident	124 Å²	124	116.7 Å²	116.7	58%	0.579	60%	0.596	S	S	*	*	P	Polyproline II helix	trans	-57.8	142.8	175.6	-73.6	-177.1	-166.5	0	0	110.9	E30 L37	E30-E32 PolarHBondContact O-N 3.02Å; E32-L37 HydrophobicContact CB-CD1 3.98Å; E32-L37 HydrophobicContact CB-CD2 4.23Å; E32-L37 HydrophobicContact CB-CG 4.07Å; E32-L37 VanDerWaalsContact OE2-CD2 3.24Å; E32-L37 WeakPolarHBondContact OE2-CD2 3.13Å
33	A	93.1	Very high	73.7	Confident	47 Å²	47	112 Å²	112	39%	0.388	58%	0.58	S	S	.	*	P	Polyproline II helix	trans	-61.5	142.2	-179.6	0	0	0	0	0	111.4	E35 K36	A33-E35 PolarHBondContact O-N 2.65Å; A33-K36 WeakPolarHBondContact O-CB 3.47Å; A33-K36 PolarHBondContact O-N 2.83Å
34	F	95.6	Very high	76.5	Confident	11 Å²	11	109.8 Å²	109.8	5%	0.048	57%	0.569	C	S	.	*	H	α-helix	trans	-50.7	-43.9	-178.8	168.7	-100	0	0	0	112.5	K36 L37 Y38 V40 V66 F110 I117 V119	F34-K36 PolarHBondContact O-N 2.71Å; F34-L37 PolarHBondContact O-N 3.41Å; F34-Y38 AromaticContact CD2-CD2 3.67Å; F34-Y38 HydrophobicContact CD2-CD2 3.67Å; F34-Y38 HydrophobicContact CD2-CG 4.34Å; F34-Y38 AromaticContact CE2-CD2 3.74Å; F34-Y38 HydrophobicContact CE2-CD2 3.74Å; F34-Y38 AromaticContact CE2-CG 3.97Å; F34-Y38 HydrophobicContact CE2-CG 3.97Å; F34-Y38 PolarHBondContact O-N 3.48Å; F34-V40 HydrophobicContact CE1-CG2 3.63Å; F34-V40 HydrophobicContact CZ-CG2 3.66Å; F34-V66 HydrophobicContact CE2-CG1 4Å; F34-V66 HydrophobicContact CE2-CG2 4.44Å; F34-V66 HydrophobicContact CZ-CG1 3.73Å; F34-V66 HydrophobicContact CZ-CG2 4.28Å; F34-F110 HydrophobicContact CB-CD1 3.91Å; F34-F110 HydrophobicContact CB-CD2 4.27Å; F34-F110 HydrophobicContact CB-CE1 4.1Å; F34-F110 HydrophobicContact CB-CE2 4.49Å; F34-F110 HydrophobicContact CB-CG 4.01Å; F34-F110 HydrophobicContact CB-CZ 4.41Å; F34-F110 AromaticContact CD2-CD2 3.74Å; F34-F110 HydrophobicContact CD2-CD2 3.74Å; F34-F110 AromaticContact CD2-CE2 3.77Å; F34-F110 HydrophobicContact CD2-CE2 3.77Å; F34-F110 HydrophobicContact CD2-CG 4.31Å; F34-F110 HydrophobicContact CD2-CZ 4.33Å; F34-F110 HydrophobicContact CG-CD2 4.43Å; F34-I117 HydrophobicContact CD1-CD1 4.05Å; F34-I117 HydrophobicContact CD2-CD1 4.35Å; F34-I117 HydrophobicContact CD2-CG2 4.06Å; F34-I117 HydrophobicContact CE1-CD1 4.32Å; F34-I117 HydrophobicContact CE2-CG2 3.8Å; F34-I117 HydrophobicContact CG-CD1 4.07Å; F34-I117 HydrophobicContact CZ-CG2 4.34Å; F34-V119 HydrophobicContact CD2-CG2 4.43Å; F34-V119 HydrophobicContact CE2-CG2 4.02Å
35	E	95.7	Very high	79.3	Confident	117 Å²	117	103 Å²	103	55%	0.547	55%	0.545	S	S	.	.	H	α-helix	trans	-67.2	-19.4	-175.8	-60.1	75.2	-163.9	0	0	113.4	A33 R112	A33-E35 PolarHBondContact O-N 2.65Å; E35-R112 IonicContact OE1-CZ 3.67Å; E35-R112 IonicContact OE1-NH2 2.65Å; E35-R112 PolarHBondContact OE1-NH2 2.65Å
36	K	96.1	Very high	81.8	Confident	154 Å²	154	101 Å²	101	67%	0.67	54%	0.537	S	S	*	.	H	α-helix	trans	-81.4	-32.7	173.3	-66.1	-176.3	178.1	179.3	0	111.7	A33 F34 T58	A33-K36 WeakPolarHBondContact O-CB 3.47Å; A33-K36 PolarHBondContact O-N 2.83Å; F34-K36 PolarHBondContact O-N 2.71Å; K36-T58 PolarHBondContact O-OG1 2.91Å
37	L	97.7	Very high	84.2	Confident	46 Å²	46	94.8 Å²	94.8	24%	0.241	52%	0.519	C	S	.	.	H	α-helix	trans	-90.8	-27.7	-172.1	-66.1	176.5	0	0	0	113.3	E32 F34 T58 F110	E32-L37 HydrophobicContact CB-CD1 3.98Å; E32-L37 HydrophobicContact CB-CD2 4.23Å; E32-L37 HydrophobicContact CB-CG 4.07Å; E32-L37 VanDerWaalsContact OE2-CD2 3.24Å; E32-L37 WeakPolarHBondContact OE2-CD2 3.13Å; F34-L37 PolarHBondContact O-N 3.41Å; L37-T58 VanDerWaalsContact C-OG1 3.31Å; L37-T58 PolarHBondContact O-N 2.58Å; L37-T58 PolarHBondContact O-OG1 2.62Å; L37-F110 HydrophobicContact CD1-CE1 4.15Å; L37-F110 HydrophobicContact CD1-CZ 3.87Å
38	Y	98.4	Very high	86.3	Confident	19 Å²	19	89.1 Å²	89.1	8%	0.075	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	140.2	-172.8	-56.5	-80.6	0	0	0	112.2	F34 T56 R57 V64 F110 V119	F34-Y38 AromaticContact CD2-CD2 3.67Å; F34-Y38 HydrophobicContact CD2-CD2 3.67Å; F34-Y38 HydrophobicContact CD2-CG 4.34Å; F34-Y38 AromaticContact CE2-CD2 3.74Å; F34-Y38 HydrophobicContact CE2-CD2 3.74Å; F34-Y38 AromaticContact CE2-CG 3.97Å; F34-Y38 HydrophobicContact CE2-CG 3.97Å; F34-Y38 PolarHBondContact O-N 3.48Å; Y38-T56 WeakPolarHBondContact CA-O 3.25Å; Y38-R57 HydrophobicContact CD1-CB 3.95Å; Y38-R57 HydrophobicContact CD1-CG 4.19Å; Y38-R57 HydrophobicContact CE1-CB 3.83Å; Y38-R57 HydrophobicContact CE1-CG 3.77Å; Y38-V64 HydrophobicContact CD1-CG2 3.99Å; Y38-V64 HydrophobicContact CE1-CG1 4.33Å; Y38-V64 HydrophobicContact CE1-CG2 4.5Å; Y38-F110 HydrophobicContact CD2-CE2 4.23Å; Y38-F110 HydrophobicContact CD2-CZ 4.32Å; Y38-F110 AromaticContact CE2-CE2 3.78Å; Y38-F110 HydrophobicContact CE2-CE2 3.78Å; Y38-F110 AromaticContact CE2-CZ 3.8Å; Y38-F110 HydrophobicContact CE2-CZ 3.8Å; Y38-V119 HydrophobicContact CD1-CG1 4.11Å; Y38-V119 HydrophobicContact CD2-CG2 4.29Å; Y38-V119 HydrophobicContact CE1-CG1 3.62Å; Y38-V119 HydrophobicContact CE2-CG1 4.46Å; Y38-V119 HydrophobicContact CE2-CG2 4.08Å
39	Q	98.2	Very high	88.1	Confident	139 Å²	139	85 Å²	85	65%	0.65	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	125.9	168	-172.1	173.4	35.8	0	0	109.5	G55 T56	Q39-G55 CarbonylContact O-C 3.56Å; Q39-G55 WeakPolarHBondContact O-CA 3.41Å; Q39-T56 PolarHBondContact N-O 3.16Å; Q39-T56 PolarHBondContact O-N 3.1Å
40	V	98	Very high	90.2	Very high	69 Å²	69	76.1 Å²	76.1	42%	0.418	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	136.3	177.5	-178.9	0	0	0	0	109.8	F34 Y53	F34-V40 HydrophobicContact CE1-CG2 3.63Å; F34-V40 HydrophobicContact CZ-CG2 3.66Å; V40-Y53 HydrophobicContact CG1-CD1 3.95Å; V40-Y53 HydrophobicContact CG1-CG 3.91Å
41	G	97.5	Very high	91.8	Very high	40 Å²	40	68.8 Å²	68.8	41%	0.412	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	-150.4	176.4	0	0	0	0	0	112.8	S54	G41-S54 WeakPolarHBondContact CA-O 3.18Å; G41-S54 WeakPolarHBondContact CA-OG 3.39Å; G41-S54 PolarHBondContact N-O 2.89Å
42	A	97.3	Very high	92.7	Very high	71 Å²	71	65.7 Å²	65.7	59%	0.587	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	155.8	179	0	0	0	0	0	112.6	S54	A42-S54 PolarHBondContact N-OG 2.86Å; A42-S54 PolarHBondContact O-N 3.45Å; A42-S54 PolarHBondContact O-OG 3.22Å
43	V	97.2	Very high	93.2	Very high	84 Å²	84	63.3 Å²	63.3	51%	0.509	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	133.7	171	177.5	0	0	0	0	109.5	T51 Y53	V43-T51 HydrophobicContact CG1-CG2 4.03Å; V43-T51 HydrophobicContact CG2-CG2 4.33Å; V43-Y53 HydrophobicContact CG2-CD1 3.74Å; V43-Y53 HydrophobicContact CG2-CE1 3.49Å; V43-Y53 VanDerWaalsContact CG2-CE1 3.49Å
44	L	94	Very high	93.4	Very high	98 Å²	98	62 Å²	62	51%	0.513	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-35.3	172.6	-66.1	173.7	0	0	0	111.5	V52	L44-V52 HydrophobicContact CB-CG1 4.43Å; L44-V52 HydrophobicContact CD1-CG1 4.37Å; L44-V52 PolarHBondContact N-O 3.05Å
45	G	91.3	Very high	93.6	Very high	31 Å²	31	61.6 Å²	61.6	32%	0.32	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.7	162.2	178.8	0	0	0	0	0	112	V52	G45-V52 PolarHBondContact N-O 2.83Å; G45-V52 PolarHBondContact O-N 3.05Å
46	S	88.2	Confident	93.7	Very high	95 Å²	95	58.7 Å²	58.7	66%	0.664	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.6	141.1	177.7	61.3	0	0	0	0	110.9	G50	S46-G50 WeakPolarHBondContact CA-O 3.24Å
47	G	82.3	Confident	93.8	Very high	41 Å²	41	54.4 Å²	54.4	42%	0.423	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	-159.4	178.9	0	0	0	0	0	113.3	F49 G50	G47-F49 PolarHBondContact O-N 2.87Å; G47-G50 PolarHBondContact N-O 3Å; G47-G50 PolarHBondContact O-N 2.85Å; G47-G50 VanDerWaalsContact O-N 3.13Å
48	G	77.3	Confident	93.8	Very high	61 Å²	61	56.5 Å²	56.5	63%	0.629	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-31.4	178.2	0	0	0	0	0	113.3	G50	G48-G50 VanDerWaalsContact C-N 3.29Å; G48-G50 PolarHBondContact O-N 3.28Å
49	F	78.7	Confident	93.7	Very high	54 Å²	54	60.4 Å²	60.4	24%	0.237	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.8	6.4	-178.2	-51.2	-72.1	0	0	0	114.7	G47 K67 D186 S189 A203	G47-F49 PolarHBondContact O-N 2.87Å; F49-K67 WeakPolarHBondContact O-CE 3.08Å; F49-D186 VanDerWaalsContact CD2-OD2 3.3Å; F49-D186 WeakPolarHBondContact CD2-OD2 3.3Å; F49-S189 WeakPolarHBondContact CE1-OG 3.26Å; F49-S189 WeakPolarHBondContact CZ-OG 3.27Å; F49-A203 HydrophobicContact CE1-CB 3.77Å; F49-A203 HydrophobicContact CZ-CB 4.09Å; F49-A203 WeakPolarHBondContact CZ-O 3.36Å
50	G	89.8	Confident	93.7	Very high	7 Å²	7	58.3 Å²	58.3	7%	0.072	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	108.1	-161.5	-178.9	0	0	0	0	0	113.3	S46 G47 G48 H68	S46-G50 WeakPolarHBondContact CA-O 3.24Å; G47-G50 PolarHBondContact N-O 3Å; G47-G50 PolarHBondContact O-N 2.85Å; G47-G50 VanDerWaalsContact O-N 3.13Å; G48-G50 VanDerWaalsContact C-N 3.29Å; G48-G50 PolarHBondContact O-N 3.28Å; G50-H68 VanDerWaalsContact CA-O 3.32Å; G50-H68 WeakPolarHBondContact CA-O 3.12Å
51	T	95.8	Very high	93.7	Very high	34 Å²	34	57.2 Å²	57.2	21%	0.209	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	130.5	-176.9	-53.6	0	0	0	0	109.8	V43 Y53 K67 H68	V43-T51 HydrophobicContact CG1-CG2 4.03Å; V43-T51 HydrophobicContact CG2-CG2 4.33Å; T51-Y53 HydrophobicContact CG2-CD2 4.22Å; T51-Y53 HydrophobicContact CG2-CE1 4.19Å; T51-Y53 HydrophobicContact CG2-CE2 3.53Å; T51-K67 WeakPolarHBondContact O-CA 3.36Å; T51-H68 PolarHBondContact N-O 3.18Å; T51-H68 VanDerWaalsContact N-O 3.08Å; T51-H68 PolarHBondContact O-N 3.2Å
52	V	97.3	Very high	93.6	Very high	38 Å²	38	56.4 Å²	56.4	23%	0.23	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	127.7	177.9	-173	0	0	0	0	109.2	L44 G45 A65 V66 K67	L44-V52 HydrophobicContact CB-CG1 4.43Å; L44-V52 HydrophobicContact CD1-CG1 4.37Å; L44-V52 PolarHBondContact N-O 3.05Å; G45-V52 PolarHBondContact N-O 2.83Å; G45-V52 PolarHBondContact O-N 3.05Å; V52-A65 HydrophobicContact CG1-CB 4.11Å; V52-V66 WeakPolarHBondContact CA-O 3.2Å; V52-K67 HydrophobicContact CG2-CB 4.12Å; V52-K67 HydrophobicContact CG2-CD 4.39Å; V52-K67 HydrophobicContact CG2-CG 4.04Å
53	Y	98	Very high	93.7	Very high	73 Å²	73	54.6 Å²	54.6	29%	0.286	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	148	176.1	-56.4	-99.2	0	0	0	109.9	V40 V43 T51 A65 V66 H68	V40-Y53 HydrophobicContact CG1-CD1 3.95Å; V40-Y53 HydrophobicContact CG1-CG 3.91Å; V43-Y53 HydrophobicContact CG2-CD1 3.74Å; V43-Y53 HydrophobicContact CG2-CE1 3.49Å; V43-Y53 VanDerWaalsContact CG2-CE1 3.49Å; T51-Y53 HydrophobicContact CG2-CD2 4.22Å; T51-Y53 HydrophobicContact CG2-CE1 4.19Å; T51-Y53 HydrophobicContact CG2-CE2 3.53Å; Y53-A65 WeakPolarHBondContact O-CA 3.39Å; Y53-V66 PolarHBondContact N-O 3.04Å; Y53-V66 PolarHBondContact O-N 3.21Å; Y53-H68 HydrophobicContact CE2-CB 4.19Å
54	S	97.9	Very high	93.7	Very high	21 Å²	21	50.7 Å²	50.7	15%	0.147	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	152.9	158	61.2	0	0	0	0	108.8	G41 A42	G41-S54 WeakPolarHBondContact CA-O 3.18Å; G41-S54 WeakPolarHBondContact CA-OG 3.39Å; G41-S54 PolarHBondContact N-O 2.89Å; A42-S54 PolarHBondContact N-OG 2.86Å; A42-S54 PolarHBondContact O-N 3.45Å; A42-S54 PolarHBondContact O-OG 3.22Å
55	G	98.1	Very high	93.9	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.021	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	176.1	170	0	0	0	0	0	111.8	Q39 V64 R122	Q39-G55 CarbonylContact O-C 3.56Å; Q39-G55 WeakPolarHBondContact O-CA 3.41Å; G55-V64 VanDerWaalsContact C-CG2 3.47Å; G55-V64 PolarHBondContact N-O 2.96Å; G55-V64 PolarHBondContact O-N 3.19Å; G55-R122 PolarHBondContact O-NH2 2.9Å
56	T	98.3	Very high	94.3	Very high	55 Å²	55	45.3 Å²	45.3	34%	0.337	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.7	179.9	-56.4	0	0	0	0	108.8	Y38 Q39	Y38-T56 WeakPolarHBondContact CA-O 3.25Å; Q39-T56 PolarHBondContact N-O 3.16Å; Q39-T56 PolarHBondContact O-N 3.1Å
57	R	98.3	Very high	94.7	Very high	65 Å²	65	41 Å²	41	25%	0.245	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	126.3	173.1	-179	169	59.1	-153.8	-6	109.9	Y38 S59 D60 G61 A62 V64	Y38-R57 HydrophobicContact CD1-CB 3.95Å; Y38-R57 HydrophobicContact CD1-CG 4.19Å; Y38-R57 HydrophobicContact CE1-CB 3.83Å; Y38-R57 HydrophobicContact CE1-CG 3.77Å; R57-S59 VanDerWaalsContact C-N 3.3Å; R57-S59 WeakPolarHBondContact CD-OG 3.37Å; R57-S59 WeakPolarHBondContact CG-OG 3.48Å; R57-S59 PolarHBondContact O-N 3.39Å; R57-D60 IonicContact CZ-OD1 3.54Å; R57-D60 IonicContact CZ-OD2 3.48Å; R57-D60 IonicContact NE-OD1 2.98Å; R57-D60 PolarHBondContact NE-OD1 3.4Å; R57-D60 IonicContact NE-OD2 2.81Å; R57-D60 PolarHBondContact NE-OD2 2.81Å; R57-D60 IonicContact NH2-OD1 2.74Å; R57-D60 PolarHBondContact NH2-OD1 2.85Å; R57-D60 IonicContact NH2-OD2 2.82Å; R57-D60 PolarHBondContact NH2-OD2 2.76Å; R57-G61 VanDerWaalsContact O-CA 3.26Å; R57-G61 WeakPolarHBondContact O-CA 3.1Å; R57-G61 PolarHBondContact O-N 3.08Å; R57-A62 PolarHBondContact N-O 2.81Å; R57-V64 HydrophobicContact CB-CG1 4.24Å
58	T	97.8	Very high	95.5	Very high	90 Å²	90	41.4 Å²	41.4	55%	0.552	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-31.5	-173.3	-52.3	0	0	0	0	113	K36 L37 D60	K36-T58 PolarHBondContact O-OG1 2.91Å; L37-T58 VanDerWaalsContact C-OG1 3.31Å; L37-T58 PolarHBondContact O-N 2.58Å; L37-T58 PolarHBondContact O-OG1 2.62Å; T58-D60 PolarHBondContact O-N 3.13Å
59	S	97.3	Very high	96.4	Very high	100 Å²	100	39 Å²	39	70%	0.699	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-30.9	-173.1	58.7	0	0	0	0	114.5	R57	R57-S59 VanDerWaalsContact C-N 3.3Å; R57-S59 WeakPolarHBondContact CD-OG 3.37Å; R57-S59 WeakPolarHBondContact CG-OG 3.48Å; R57-S59 PolarHBondContact O-N 3.39Å
60	D	97.3	Very high	97.1	Very high	95 Å²	95	37.7 Å²	37.7	51%	0.508	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-143.9	1.9	-172.1	61.8	-7.9	0	0	0	114.1	R57 T58 A62	R57-D60 IonicContact CZ-OD1 3.54Å; R57-D60 IonicContact CZ-OD2 3.48Å; R57-D60 IonicContact NE-OD1 2.98Å; R57-D60 PolarHBondContact NE-OD1 3.4Å; R57-D60 IonicContact NE-OD2 2.81Å; R57-D60 PolarHBondContact NE-OD2 2.81Å; R57-D60 IonicContact NH2-OD1 2.74Å; R57-D60 PolarHBondContact NH2-OD1 2.85Å; R57-D60 IonicContact NH2-OD2 2.82Å; R57-D60 PolarHBondContact NH2-OD2 2.76Å; T58-D60 PolarHBondContact O-N 3.13Å; D60-A62 PolarHBondContact O-N 2.94Å; D60-A62 WeakPolarHBondContact OD1-CB 3.42Å; D60-A62 PolarHBondContact OD1-N 3.2Å
61	G	97.2	Very high	97.4	Very high	46 Å²	46	39.7 Å²	39.7	47%	0.474	24%	0.238	S	C	.	.			trans	72.9	9	-178.4	0	0	0	0	0	114.2	R57	R57-G61 VanDerWaalsContact O-CA 3.26Å; R57-G61 WeakPolarHBondContact O-CA 3.1Å; R57-G61 PolarHBondContact O-N 3.08Å
62	A	97.3	Very high	97.3	Very high	24 Å²	24	44.7 Å²	44.7	20%	0.198	26%	0.263	C	S	.	.			trans	-65.9	137.6	-175.3	0	0	0	0	0	112	R57 D60	R57-A62 PolarHBondContact N-O 2.81Å; D60-A62 PolarHBondContact O-N 2.94Å; D60-A62 WeakPolarHBondContact OD1-CB 3.42Å; D60-A62 PolarHBondContact OD1-N 3.2Å
63	P	97.9	Very high	96.9	Very high	33 Å²	33	50 Å²	50	21%	0.214	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	134.4	173.8	27.1	-34.6	0	0	0	111.2	R122 E124	P63-R122 WeakPolarHBondContact CG-O 3.36Å; P63-R122 PolarHBondContact O-N 3.12Å; P63-E124 HydrophobicContact CG-CG 3.79Å
64	V	98.4	Very high	96.6	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	157.7	175.7	-62	0	0	0	0	111.2	Y38 G55 R57 V66 L107 V119 M120 R122	Y38-V64 HydrophobicContact CD1-CG2 3.99Å; Y38-V64 HydrophobicContact CE1-CG1 4.33Å; Y38-V64 HydrophobicContact CE1-CG2 4.5Å; G55-V64 VanDerWaalsContact C-CG2 3.47Å; G55-V64 PolarHBondContact N-O 2.96Å; G55-V64 PolarHBondContact O-N 3.19Å; R57-V64 HydrophobicContact CB-CG1 4.24Å; V64-V66 HydrophobicContact CG2-CG2 4.12Å; V64-L107 HydrophobicContact CG1-CD1 3.74Å; V64-V119 HydrophobicContact CB-CG1 3.96Å; V64-V119 HydrophobicContact CG1-CG1 4.14Å; V64-V119 HydrophobicContact CG2-CG1 4.21Å; V64-M120 CarbonylContact C-O 3.49Å; V64-M120 VanDerWaalsContact CA-O 3.32Å; V64-M120 WeakPolarHBondContact CA-O 3.38Å; V64-M120 WeakPolarHBondContact CB-O 3.37Å; V64-R122 PolarHBondContact O-NE 3.34Å
65	A	98.3	Very high	96.1	Very high	11 Å²	11	50.9 Å²	50.9	9%	0.091	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.5	165	0	0	0	0	0	108.7	V52 Y53 V119 M120 R122	V52-A65 HydrophobicContact CG1-CB 4.11Å; Y53-A65 WeakPolarHBondContact O-CA 3.39Å; A65-V119 WeakPolarHBondContact O-CA 3.31Å; A65-M120 HydrophobicContact CB-CB 4.4Å; A65-M120 HydrophobicContact CB-CE 4.27Å; A65-M120 PolarHBondContact N-O 3.07Å; A65-M120 PolarHBondContact O-N 3.04Å; A65-R122 HydrophobicContact CB-CB 4.23Å
66	V	98.3	Very high	95.8	Very high	5 Å²	5	54.7 Å²	54.7	3%	0.03	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	103.2	-177.8	-177.8	0	0	0	0	107.8	F34 V52 Y53 V64 I117	F34-V66 HydrophobicContact CE2-CG1 4Å; F34-V66 HydrophobicContact CE2-CG2 4.44Å; F34-V66 HydrophobicContact CZ-CG1 3.73Å; F34-V66 HydrophobicContact CZ-CG2 4.28Å; V52-V66 WeakPolarHBondContact CA-O 3.2Å; Y53-V66 PolarHBondContact N-O 3.04Å; Y53-V66 PolarHBondContact O-N 3.21Å; V64-V66 HydrophobicContact CG2-CG2 4.12Å; V66-I117 HydrophobicContact CG1-CG2 3.55Å
67	K	98.1	Very high	95.6	Very high	5 Å²	5	55.3 Å²	55.3	2%	0.022	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	124.4	176.9	-178.3	174	-179.8	-179.2	0	109.6	F49 T51 V52 V69 E89 I117 I118 M120 D186	F49-K67 WeakPolarHBondContact O-CE 3.08Å; T51-K67 WeakPolarHBondContact O-CA 3.36Å; V52-K67 HydrophobicContact CG2-CB 4.12Å; V52-K67 HydrophobicContact CG2-CD 4.39Å; V52-K67 HydrophobicContact CG2-CG 4.04Å; K67-V69 HydrophobicContact CD-CG2 4.37Å; K67-V69 HydrophobicContact CG-CG2 3.99Å; K67-E89 IonicContact NZ-OE1 3.6Å; K67-E89 PolarHBondContact NZ-OE1 3.29Å; K67-E89 IonicContact NZ-OE2 3.41Å; K67-E89 PolarHBondContact NZ-OE2 2.8Å; K67-I117 CarbonylContact O-C 3.47Å; K67-I117 WeakPolarHBondContact O-CA 3.42Å; K67-I118 HydrophobicContact CB-CB 4.34Å; K67-I118 PolarHBondContact N-O 2.99Å; K67-I118 PolarHBondContact O-N 3.49Å; K67-M120 HydrophobicContact CB-CE 3.61Å; K67-M120 HydrophobicContact CD-CE 4.38Å; K67-D186 IonicContact NZ-OD1 2.67Å; K67-D186 PolarHBondContact NZ-OD1 3.04Å; K67-D186 IonicContact NZ-OD2 3.42Å
68	H	97.4	Very high	95.5	Very high	50 Å²	50	53.2 Å²	53.2	23%	0.231	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	121.7	176.4	-173.1	-100	0	0	0	109.9	G50 T51 Y53 S115 F116	G50-H68 VanDerWaalsContact CA-O 3.32Å; G50-H68 WeakPolarHBondContact CA-O 3.12Å; T51-H68 PolarHBondContact N-O 3.18Å; T51-H68 VanDerWaalsContact N-O 3.08Å; T51-H68 PolarHBondContact O-N 3.2Å; Y53-H68 HydrophobicContact CE2-CB 4.19Å; H68-S115 PolarHBondContact CD2-OG 3.41Å; H68-S115 WeakPolarHBondContact CE1-CB 3.42Å; H68-S115 PolarHBondContact CE1-OG 2.88Å; H68-S115 WeakPolarHBondContact NE2-CB 3.47Å; H68-S115 PolarHBondContact NE2-OG 2.97Å; H68-F116 WeakPolarHBondContact CA-O 3.46Å
69	V	96.1	Very high	95.3	Very high	10 Å²	10	56.2 Å²	56.2	6%	0.061	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	114	-176.8	-171	0	0	0	0	108.8	K67 V74 S115 F116 I118	K67-V69 HydrophobicContact CD-CG2 4.37Å; K67-V69 HydrophobicContact CG-CG2 3.99Å; V69-V74 HydrophobicContact CG1-CG2 3.82Å; V69-S115 CarbonylContact O-C 3.49Å; V69-S115 VanDerWaalsContact O-CA 3.24Å; V69-S115 WeakPolarHBondContact O-CA 3.04Å; V69-S115 VanDerWaalsContact O-CB 3.3Å; V69-S115 WeakPolarHBondContact O-CB 3.32Å; V69-F116 PolarHBondContact N-O 2.95Å; V69-F116 PolarHBondContact O-N 2.95Å; V69-I118 HydrophobicContact CG2-CD1 4.37Å
70	A	95.4	Very high	94.9	Very high	26 Å²	26	53.1 Å²	53.1	22%	0.215	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	137.2	176.3	0	0	0	0	0	110.4	D72 R73	A70-D72 WeakPolarHBondContact CB-OD1 3.5Å; A70-D72 PolarHBondContact O-N 2.74Å; A70-R73 HydrophobicContact CB-CG 4.34Å; A70-R73 PolarHBondContact O-N 3.29Å
71	K	95.1	Very high	94.4	Very high	49 Å²	49	54.3 Å²	54.3	21%	0.213	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-61.3	-32.8	-174	-76	-175.2	-177.5	176.8	0	113	R73 V74 W77 E111 R112 P113 D114 F116	K71-R73 PolarHBondContact O-N 3.1Å; K71-V74 PolarHBondContact O-N 2.81Å; K71-W77 HydrophobicContact CB-CH2 4.33Å; K71-W77 HydrophobicContact CG-CH2 4.18Å; K71-E111 WeakPolarHBondContact CE-OE1 3.46Å; K71-E111 IonicContact NZ-OE1 2.71Å; K71-E111 PolarHBondContact NZ-OE1 3.2Å; K71-R112 WeakPolarHBondContact CE-O 2.97Å; K71-R112 PolarHBondContact NZ-O 3.18Å; K71-P113 PolarHBondContact NZ-O 2.91Å; K71-D114 PolarHBondContact N-O 2.91Å; K71-F116 HydrophobicContact CD-CE2 4.15Å; K71-F116 HydrophobicContact CG-CD2 3.96Å; K71-F116 HydrophobicContact CG-CE2 3.78Å
72	D	93.3	Very high	93.8	Very high	140 Å²	140	57.8 Å²	57.8	75%	0.749	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-69.1	-19.6	176.9	64.7	-22.1	0	0	0	113.5	A70	A70-D72 WeakPolarHBondContact CB-OD1 3.5Å; A70-D72 PolarHBondContact O-N 2.74Å
73	R	90.3	Very high	93.4	Very high	149 Å²	149	58.9 Å²	58.9	56%	0.562	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-94.1	-4.8	175.7	-62.8	-174.5	-176.9	-169	-0.5	113.8	A70 K71 T75	A70-R73 HydrophobicContact CB-CG 4.34Å; A70-R73 PolarHBondContact O-N 3.29Å; K71-R73 PolarHBondContact O-N 3.1Å; R73-T75 PolarHBondContact O-N 2.98Å
74	V	91	Very high	92.9	Very high	20 Å²	20	59.1 Å²	59.1	12%	0.121	33%	0.332	C	S	.	.			trans	-77.4	107.7	178.5	-177.6	0	0	0	0	109.1	V69 K71 E76 W77 P87	V69-V74 HydrophobicContact CG1-CG2 3.82Å; K71-V74 PolarHBondContact O-N 2.81Å; V74-E76 VanDerWaalsContact CG1-O 3.25Å; V74-E76 WeakPolarHBondContact CG1-O 3.24Å; V74-W77 HydrophobicContact CB-CD2 4.42Å; V74-W77 HydrophobicContact CB-CH2 4.38Å; V74-W77 HydrophobicContact CB-CZ2 3.62Å; V74-W77 HydrophobicContact CG1-CD2 3.73Å; V74-W77 VanDerWaalsContact CG1-CE2 3.43Å; V74-W77 HydrophobicContact CG1-CE3 4.32Å; V74-W77 HydrophobicContact CG1-CG 4.03Å; V74-W77 HydrophobicContact CG1-CH2 4.5Å; V74-W77 HydrophobicContact CG1-CZ2 3.86Å; V74-W77 HydrophobicContact CG2-CH2 4.46Å; V74-W77 HydrophobicContact CG2-CZ2 4.12Å; V74-W77 PolarHBondContact O-NE1 2.68Å; V74-P87 HydrophobicContact CG1-CB 3.89Å; V74-P87 HydrophobicContact CG1-CG 4.11Å; V74-P87 HydrophobicContact CG2-CB 4.38Å; V74-P87 HydrophobicContact CG2-CG 3.9Å
75	T	87.2	Confident	92.8	Very high	93 Å²	93	66.3 Å²	66.3	57%	0.571	36%	0.358	S	S	*	.			trans	-78.2	-42.6	177.9	51.5	0	0	0	0	111.8	R73	R73-T75 PolarHBondContact O-N 2.98Å
76	E	91.5	Very high	92.7	Very high	82 Å²	82	65.8 Å²	65.8	38%	0.383	35%	0.354	S	S	.	.			trans	-115.4	129.6	-175.6	-68.6	-60.9	147.5	0	0	111.9	V74 L88	V74-E76 VanDerWaalsContact CG1-O 3.25Å; V74-E76 WeakPolarHBondContact CG1-O 3.24Å; E76-L88 HydrophobicContact CB-CB 3.78Å; E76-L88 HydrophobicContact CB-CD2 3.9Å; E76-L88 HydrophobicContact CG-CD2 4.45Å; E76-L88 PolarHBondContact O-N 3.04Å
77	W	94.8	Very high	92.6	Very high	67 Å²	67	65.7 Å²	65.7	25%	0.254	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	149.4	-176.8	-66.5	80.3	0	0	0	111.2	K71 V74 R85 V86 F116	K71-W77 HydrophobicContact CB-CH2 4.33Å; K71-W77 HydrophobicContact CG-CH2 4.18Å; V74-W77 HydrophobicContact CB-CD2 4.42Å; V74-W77 HydrophobicContact CB-CH2 4.38Å; V74-W77 HydrophobicContact CB-CZ2 3.62Å; V74-W77 HydrophobicContact CG1-CD2 3.73Å; V74-W77 VanDerWaalsContact CG1-CE2 3.43Å; V74-W77 HydrophobicContact CG1-CE3 4.32Å; V74-W77 HydrophobicContact CG1-CG 4.03Å; V74-W77 HydrophobicContact CG1-CH2 4.5Å; V74-W77 HydrophobicContact CG1-CZ2 3.86Å; V74-W77 HydrophobicContact CG2-CH2 4.46Å; V74-W77 HydrophobicContact CG2-CZ2 4.12Å; V74-W77 PolarHBondContact O-NE1 2.68Å; W77-R85 HydrophobicContact CB-CG 4.11Å; W77-R85 VanDerWaalsContact CB-NE 3.26Å; W77-R85 VanDerWaalsContact CD1-NH2 3.27Å; W77-R85 HydrophobicContact CD2-CG 4.26Å; W77-R85 HydrophobicContact CE3-CB 4.33Å; W77-R85 HydrophobicContact CE3-CG 3.69Å; W77-R85 HydrophobicContact CG-CG 4.49Å; W77-R85 VanDerWaalsContact CG-NH2 3.28Å; W77-R85 HydrophobicContact CZ3-CG 4.43Å; W77-V86 CarbonylContact C-O 3.15Å; W77-V86 WeakPolarHBondContact CA-O 3.33Å; W77-F116 AromaticContact CH2-CE2 3.7Å; W77-F116 HydrophobicContact CH2-CE2 3.7Å; W77-F116 HydrophobicContact CH2-CZ 4.43Å; W77-F116 AromaticContact CZ3-CE2 3.54Å; W77-F116 HydrophobicContact CZ3-CE2 3.54Å; W77-F116 AromaticContact CZ3-CZ 3.89Å; W77-F116 HydrophobicContact CZ3-CZ 3.89Å
78	A	95.5	Very high	92.5	Very high	21 Å²	21	66.4 Å²	66.4	17%	0.174	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	153.7	172.7	0	0	0	0	0	110.8	R85 V86 L88 V91	A78-R85 WeakPolarHBondContact O-CA 3.38Å; A78-V86 PolarHBondContact N-O 3.05Å; A78-V86 PolarHBondContact O-N 3.16Å; A78-L88 HydrophobicContact CB-CD1 3.97Å; A78-V91 HydrophobicContact CB-CB 4.25Å; A78-V91 HydrophobicContact CB-CG2 3.56Å
79	E	94	Very high	92.5	Very high	154 Å²	154	64.7 Å²	64.7	72%	0.72	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.7	128.7	174.2	-164.9	178.8	145.2	0	0	109.8
80	L	89.2	Confident	92.5	Very high	35 Å²	35	64.3 Å²	64.3	18%	0.183	35%	0.347	C	S	.	.			trans	-82.7	160.9	173.4	-63.2	-176.9	0	0	0	110.5	N82 G83 S84 V86 V91 W109	L80-N82 WeakPolarHBondContact CB-OD1 3.32Å; L80-N82 PolarHBondContact O-N 2.98Å; L80-G83 PolarHBondContact O-N 2.92Å; L80-S84 PolarHBondContact N-O 3.11Å; L80-V86 HydrophobicContact CD1-CG1 3.73Å; L80-V86 HydrophobicContact CD1-CG2 4.17Å; L80-V86 HydrophobicContact CD2-CG2 3.89Å; L80-V86 HydrophobicContact CG-CG1 4.13Å; L80-V86 HydrophobicContact CG-CG2 3.8Å; L80-V91 HydrophobicContact CD2-CG2 3.88Å; L80-W109 HydrophobicContact CD1-CH2 4.18Å; L80-W109 HydrophobicContact CD1-CZ2 3.72Å
81	A	86.9	Confident	92.6	Very high	120 Å²	120	64.5 Å²	64.5	99%	0.992	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-18.7	-178.8	0	0	0	0	0	114.7	G83	A81-G83 VanDerWaalsContact C-N 3.33Å
82	N	84.7	Confident	92.8	Very high	119 Å²	119	62.1 Å²	62.1	64%	0.636	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.1	7.1	174.9	68.4	-18.6	0	0	0	113.2	L80 S84	L80-N82 WeakPolarHBondContact CB-OD1 3.32Å; L80-N82 PolarHBondContact O-N 2.98Å; N82-S84 VanDerWaalsContact C-N 3.3Å; N82-S84 PolarHBondContact ND2-OG 3.3Å; N82-S84 VanDerWaalsContact ND2-OG 3.14Å; N82-S84 PolarHBondContact O-N 3.41Å; N82-S84 WeakPolarHBondContact OD1-CB 3.3Å; N82-S84 PolarHBondContact OD1-N 2.97Å; N82-S84 PolarHBondContact OD1-OG 3.17Å
83	G	87.6	Confident	93	Very high	47 Å²	47	55.5 Å²	55.5	49%	0.485	30%	0.3	S	S	.	.	S	Bend	trans	81.6	-1.9	-178.7	0	0	0	0	0	115	L80 A81	L80-G83 PolarHBondContact O-N 2.92Å; A81-G83 VanDerWaalsContact C-N 3.33Å
84	S	88.8	Confident	93.2	Very high	38 Å²	38	55.1 Å²	55.1	27%	0.266	30%	0.303	S	S	.	.			trans	-71.2	134.1	176.8	-58.2	0	0	0	0	110.8	L80 N82	L80-S84 PolarHBondContact N-O 3.11Å; N82-S84 VanDerWaalsContact C-N 3.3Å; N82-S84 PolarHBondContact ND2-OG 3.3Å; N82-S84 VanDerWaalsContact ND2-OG 3.14Å; N82-S84 PolarHBondContact O-N 3.41Å; N82-S84 WeakPolarHBondContact OD1-CB 3.3Å; N82-S84 PolarHBondContact OD1-N 2.97Å; N82-S84 PolarHBondContact OD1-OG 3.17Å
85	R	94.9	Very high	93.5	Very high	151 Å²	151	58.2 Å²	58.2	57%	0.57	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	125.6	175.2	-157.7	-173.2	172.2	-168.4	-6.1	109.7	W77 A78	W77-R85 HydrophobicContact CB-CG 4.11Å; W77-R85 VanDerWaalsContact CB-NE 3.26Å; W77-R85 VanDerWaalsContact CD1-NH2 3.27Å; W77-R85 HydrophobicContact CD2-CG 4.26Å; W77-R85 HydrophobicContact CE3-CB 4.33Å; W77-R85 HydrophobicContact CE3-CG 3.69Å; W77-R85 HydrophobicContact CG-CG 4.49Å; W77-R85 VanDerWaalsContact CG-NH2 3.28Å; W77-R85 HydrophobicContact CZ3-CG 4.43Å; A78-R85 WeakPolarHBondContact O-CA 3.38Å
86	V	96.8	Very high	94.1	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	160.2	-176.9	-62.8	0	0	0	0	110.8	W77 A78 L80 L88 I90 V91 W109 F116	W77-V86 CarbonylContact C-O 3.15Å; W77-V86 WeakPolarHBondContact CA-O 3.33Å; A78-V86 PolarHBondContact N-O 3.05Å; A78-V86 PolarHBondContact O-N 3.16Å; L80-V86 HydrophobicContact CD1-CG1 3.73Å; L80-V86 HydrophobicContact CD1-CG2 4.17Å; L80-V86 HydrophobicContact CD2-CG2 3.89Å; L80-V86 HydrophobicContact CG-CG1 4.13Å; L80-V86 HydrophobicContact CG-CG2 3.8Å; V86-L88 PolarHBondContact O-N 3.02Å; V86-I90 HydrophobicContact CB-CD1 4.32Å; V86-I90 HydrophobicContact CG2-CB 4.41Å; V86-V91 HydrophobicContact CG2-CG2 3.89Å; V86-W109 HydrophobicContact CG1-CH2 3.67Å; V86-W109 HydrophobicContact CG1-CZ2 4.18Å; V86-W109 HydrophobicContact CG1-CZ3 3.89Å; V86-F116 HydrophobicContact CB-CE1 4.45Å; V86-F116 HydrophobicContact CG1-CE1 4.12Å
87	P	96.4	Very high	94.1	Very high	4 Å²	4	50.4 Å²	50.4	3%	0.026	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	137.6	168.4	-24.5	33.7	0	0	0	110.7	V74 E89 I90 F116	V74-P87 HydrophobicContact CG1-CB 3.89Å; V74-P87 HydrophobicContact CG1-CG 4.11Å; V74-P87 HydrophobicContact CG2-CB 4.38Å; V74-P87 HydrophobicContact CG2-CG 3.9Å; P87-E89 PolarHBondContact O-N 3.48Å; P87-E89 VanDerWaalsContact O-N 3.16Å; P87-I90 HydrophobicContact CB-CG1 4.49Å; P87-I90 HydrophobicContact CG-CD1 4.35Å; P87-I90 WeakPolarHBondContact O-CB 3.37Å; P87-I90 PolarHBondContact O-N 3.05Å; P87-F116 HydrophobicContact CG-CB 4.15Å; P87-F116 HydrophobicContact CG-CD1 4.38Å; P87-F116 HydrophobicContact CG-CD2 3.53Å; P87-F116 HydrophobicContact CG-CE2 4Å; P87-F116 HydrophobicContact CG-CG 3.76Å
88	L	95.9	Very high	94	Very high	20 Å²	20	52.2 Å²	52.2	11%	0.105	29%	0.293	C	S	.	.	H	α-helix	trans	-55	-36.1	178.5	178.9	60.7	0	0	0	111.3	E76 A78 V86 I90 V91 L92	E76-L88 HydrophobicContact CB-CB 3.78Å; E76-L88 HydrophobicContact CB-CD2 3.9Å; E76-L88 HydrophobicContact CG-CD2 4.45Å; E76-L88 PolarHBondContact O-N 3.04Å; A78-L88 HydrophobicContact CB-CD1 3.97Å; V86-L88 PolarHBondContact O-N 3.02Å; L88-I90 PolarHBondContact O-N 2.88Å; L88-I90 VanDerWaalsContact O-N 3.17Å; L88-V91 HydrophobicContact CD1-CB 4.49Å; L88-V91 WeakPolarHBondContact O-CA 3.4Å; L88-V91 WeakPolarHBondContact O-CB 3.43Å; L88-V91 PolarHBondContact O-N 2.67Å; L88-L92 HydrophobicContact CD1-CD2 4.14Å; L88-L92 HydrophobicContact CD1-CG 4.28Å; L88-L92 HydrophobicContact CD2-CD1 4.47Å; L88-L92 HydrophobicContact CG-CD1 4.09Å; L88-L92 HydrophobicContact CG-CD2 4.3Å; L88-L92 HydrophobicContact CG-CG 4.03Å; L88-L92 WeakPolarHBondContact O-CG 3.47Å; L88-L92 PolarHBondContact O-N 3.35Å
89	E	96.3	Very high	93.6	Very high	13 Å²	13	55.6 Å²	55.6	6%	0.061	33%	0.33	C	S	.	.	H	α-helix	trans	-47.6	-42.6	174.9	-177.2	173.5	-171.6	0	0	113.1	K67 P87 V91 L92 L93 I118 F187	K67-E89 IonicContact NZ-OE1 3.6Å; K67-E89 PolarHBondContact NZ-OE1 3.29Å; K67-E89 IonicContact NZ-OE2 3.41Å; K67-E89 PolarHBondContact NZ-OE2 2.8Å; P87-E89 PolarHBondContact O-N 3.48Å; P87-E89 VanDerWaalsContact O-N 3.16Å; E89-V91 VanDerWaalsContact C-N 3.32Å; E89-V91 PolarHBondContact O-N 2.98Å; E89-L92 PolarHBondContact O-N 2.82Å; E89-L93 HydrophobicContact CG-CD1 3.85Å; E89-L93 HydrophobicContact CG-CG 4.32Å; E89-L93 WeakPolarHBondContact O-CB 3.49Å; E89-L93 WeakPolarHBondContact O-CG 3.36Å; E89-L93 PolarHBondContact O-N 2.81Å; E89-I118 HydrophobicContact CG-CD1 4.19Å; E89-F187 HydrophobicContact CG-CB 4.08Å
90	I	97.3	Very high	93.6	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-62.9	-40.7	178.8	-64.6	-175.4	0	0	0	110.9	V86 P87 L88 K94 M106 W109 F116 I118	V86-I90 HydrophobicContact CB-CD1 4.32Å; V86-I90 HydrophobicContact CG2-CB 4.41Å; P87-I90 HydrophobicContact CB-CG1 4.49Å; P87-I90 HydrophobicContact CG-CD1 4.35Å; P87-I90 WeakPolarHBondContact O-CB 3.37Å; P87-I90 PolarHBondContact O-N 3.05Å; L88-I90 PolarHBondContact O-N 2.88Å; L88-I90 VanDerWaalsContact O-N 3.17Å; I90-K94 WeakPolarHBondContact O-CB 3.15Å; I90-K94 PolarHBondContact O-N 3.4Å; I90-M106 HydrophobicContact CG2-CE 4.2Å; I90-M106 HydrophobicContact CG2-SD 4.05Å; I90-W109 HydrophobicContact CD1-CB 3.9Å; I90-W109 HydrophobicContact CD1-CD2 3.93Å; I90-W109 HydrophobicContact CD1-CE3 3.93Å; I90-W109 HydrophobicContact CD1-CG 3.92Å; I90-W109 HydrophobicContact CG2-CB 4.49Å; I90-W109 HydrophobicContact CG2-CD2 4.19Å; I90-W109 HydrophobicContact CG2-CG 3.88Å; I90-F116 HydrophobicContact CD1-CD1 4.13Å; I90-I118 HydrophobicContact CD1-CD1 4.41Å; I90-I118 HydrophobicContact CD1-CG1 4.18Å; I90-I118 HydrophobicContact CG1-CD1 3.78Å; I90-I118 HydrophobicContact CG1-CG1 3.98Å
91	V	97.5	Very high	93.9	Very high	30 Å²	30	58.2 Å²	58.2	18%	0.182	33%	0.333	C	S	.	.	H	α-helix	trans	-69	-41.3	178.4	177	0	0	0	0	110.8	A78 L80 V86 L88 E89 K94 K95	A78-V91 HydrophobicContact CB-CB 4.25Å; A78-V91 HydrophobicContact CB-CG2 3.56Å; L80-V91 HydrophobicContact CD2-CG2 3.88Å; V86-V91 HydrophobicContact CG2-CG2 3.89Å; L88-V91 HydrophobicContact CD1-CB 4.49Å; L88-V91 WeakPolarHBondContact O-CA 3.4Å; L88-V91 WeakPolarHBondContact O-CB 3.43Å; L88-V91 PolarHBondContact O-N 2.67Å; E89-V91 VanDerWaalsContact C-N 3.32Å; E89-V91 PolarHBondContact O-N 2.98Å; V91-K94 PolarHBondContact O-N 2.74Å; V91-K95 HydrophobicContact CG1-CD 4.28Å; V91-K95 WeakPolarHBondContact O-CG 3.15Å; V91-K95 PolarHBondContact O-N 3.27Å
92	L	97.9	Very high	94.4	Very high	0 Å²	0	53 Å²	53	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-64.4	-49.5	177.9	-57.5	-177.4	0	0	0	111.1	L88 E89 K94 K95 V96 V163 F187 L192	L88-L92 HydrophobicContact CD1-CD2 4.14Å; L88-L92 HydrophobicContact CD1-CG 4.28Å; L88-L92 HydrophobicContact CD2-CD1 4.47Å; L88-L92 HydrophobicContact CG-CD1 4.09Å; L88-L92 HydrophobicContact CG-CD2 4.3Å; L88-L92 HydrophobicContact CG-CG 4.03Å; L88-L92 WeakPolarHBondContact O-CG 3.47Å; L88-L92 PolarHBondContact O-N 3.35Å; E89-L92 PolarHBondContact O-N 2.82Å; L92-K94 VanDerWaalsContact C-N 3.29Å; L92-K94 PolarHBondContact O-N 2.8Å; L92-K95 WeakPolarHBondContact O-CB 3.15Å; L92-K95 PolarHBondContact O-N 2.8Å; L92-V96 WeakPolarHBondContact O-CG2 3.34Å; L92-V96 PolarHBondContact O-N 2.8Å; L92-V96 VanDerWaalsContact O-N 3.12Å; L92-V163 HydrophobicContact CB-CG1 4.14Å; L92-V163 HydrophobicContact CD1-CG1 4.46Å; L92-V163 HydrophobicContact CD2-CG1 4.14Å; L92-V163 HydrophobicContact CD2-CG2 4.05Å; L92-V163 HydrophobicContact CG-CG1 4.46Å; L92-F187 HydrophobicContact CB-CB 4.24Å; L92-F187 HydrophobicContact CB-CD1 4.15Å; L92-F187 HydrophobicContact CD1-CB 4.44Å; L92-L192 HydrophobicContact CD2-CD2 3.91Å; L92-L192 HydrophobicContact CD2-CG 4.39Å
93	L	97.8	Very high	95.1	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	26%	0.261	C	S	.	.	H	α-helix	trans	-57.9	-40.6	176.2	-76.4	171	0	0	0	112.1	E89 K95 V96 G97 I104 M106 I118 F187	E89-L93 HydrophobicContact CG-CD1 3.85Å; E89-L93 HydrophobicContact CG-CG 4.32Å; E89-L93 WeakPolarHBondContact O-CB 3.49Å; E89-L93 WeakPolarHBondContact O-CG 3.36Å; E89-L93 PolarHBondContact O-N 2.81Å; L93-K95 VanDerWaalsContact C-N 3.34Å; L93-K95 PolarHBondContact O-N 2.81Å; L93-V96 PolarHBondContact O-N 2.88Å; L93-G97 PolarHBondContact O-N 2.84Å; L93-I104 HydrophobicContact CD2-CG2 4.42Å; L93-M106 HydrophobicContact CB-CB 3.85Å; L93-M106 HydrophobicContact CB-SD 4.1Å; L93-M106 HydrophobicContact CD1-CB 4.25Å; L93-M106 HydrophobicContact CD1-SD 4.36Å; L93-I118 HydrophobicContact CD1-CG2 3.91Å; L93-F187 HydrophobicContact CD2-CB 4.49Å; L93-F187 HydrophobicContact CD2-CD2 3.53Å; L93-F187 HydrophobicContact CD2-CE2 4.03Å; L93-F187 HydrophobicContact CD2-CG 4.18Å; L93-F187 HydrophobicContact CG-CB 4.36Å; L93-F187 HydrophobicContact CG-CD2 4.29Å; L93-F187 HydrophobicContact CG-CG 4.48Å
94	K	96.3	Very high	95.6	Very high	141 Å²	141	45.4 Å²	45.4	61%	0.613	24%	0.239	S	C	*	.	H	α-helix	trans	-63	-38.7	175.2	-172	175.4	-178.3	179	0	112.4	I90 V91 L92 M106	I90-K94 WeakPolarHBondContact O-CB 3.15Å; I90-K94 PolarHBondContact O-N 3.4Å; V91-K94 PolarHBondContact O-N 2.74Å; L92-K94 VanDerWaalsContact C-N 3.29Å; L92-K94 PolarHBondContact O-N 2.8Å; K94-M106 HydrophobicContact CB-CE 4.03Å
95	K	97.2	Very high	96	Very high	84 Å²	84	48.4 Å²	48.4	37%	0.365	25%	0.247	S	C	.	.	H	α-helix	trans	-68.2	-35.8	179.3	-74.4	172.4	62.3	65.6	0	112.6	V91 L92 L93 C161 V163 L192	V91-K95 HydrophobicContact CG1-CD 4.28Å; V91-K95 WeakPolarHBondContact O-CG 3.15Å; V91-K95 PolarHBondContact O-N 3.27Å; L92-K95 WeakPolarHBondContact O-CB 3.15Å; L92-K95 PolarHBondContact O-N 2.8Å; L93-K95 VanDerWaalsContact C-N 3.34Å; L93-K95 PolarHBondContact O-N 2.81Å; K95-C161 WeakPolarHBondContact CE-O 3.46Å; K95-C161 PolarHBondContact NZ-O 2.83Å; K95-C161 PolarHBondContact O-SG 2.83Å; K95-C161 VanDerWaalsContact O-SG 3.37Å; K95-V163 HydrophobicContact CB-CG2 3.91Å; K95-V163 HydrophobicContact CD-CG2 4.16Å; K95-L192 HydrophobicContact CD-CD2 3.82Å
96	V	98	Very high	96.1	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-93.3	-13.9	-177.6	-58.2	0	0	0	0	113.8	L92 L93 T98 V103 H157 C158 C161 V163 F187	L92-V96 WeakPolarHBondContact O-CG2 3.34Å; L92-V96 PolarHBondContact O-N 2.8Å; L92-V96 VanDerWaalsContact O-N 3.12Å; L93-V96 PolarHBondContact O-N 2.88Å; V96-T98 VanDerWaalsContact C-N 3.25Å; V96-T98 PolarHBondContact O-N 2.9Å; V96-T98 VanDerWaalsContact O-N 3.11Å; V96-V103 HydrophobicContact CB-CG1 4.31Å; V96-V103 HydrophobicContact CG2-CG1 3.67Å; V96-H157 PolarHBondContact O-NE2 3.17Å; V96-C158 HydrophobicContact CG1-CB 4.41Å; V96-C161 HydrophobicContact CG1-CB 4.04Å; V96-V163 HydrophobicContact CG1-CB 3.93Å; V96-V163 HydrophobicContact CG1-CG1 4.21Å; V96-V163 HydrophobicContact CG1-CG2 3.85Å; V96-F187 HydrophobicContact CG1-CE1 4.22Å; V96-F187 HydrophobicContact CG2-CE1 4.12Å; V96-F187 HydrophobicContact CG2-CE2 4.38Å; V96-F187 HydrophobicContact CG2-CZ 3.89Å
97	G	93.4	Very high	96.1	Very high	12 Å²	12	45.2 Å²	45.2	12%	0.124	24%	0.24	C	C	.	.	S	Bend	trans	-74.7	5.6	-170.7	0	0	0	0	0	117.3	L93 K105	L93-G97 PolarHBondContact O-N 2.84Å; G97-K105 WeakPolarHBondContact O-CE 3.3Å
98	T	90.8	Very high	96.1	Very high	104 Å²	104	46.7 Å²	46.7	64%	0.638	25%	0.248	S	C	*	.	S	Bend	trans	-116.4	130.1	-177.7	57.5	0	0	0	0	112.6	V96 F100	V96-T98 VanDerWaalsContact C-N 3.25Å; V96-T98 PolarHBondContact O-N 2.9Å; V96-T98 VanDerWaalsContact O-N 3.11Å; T98-F100 PolarHBondContact O-N 3.27Å
99	G	87	Confident	96.2	Very high	92 Å²	92	48.5 Å²	48.5	95%	0.948	25%	0.254	S	S	*	.	S	Bend	trans	80.8	4.8	165	0	0	0	0	0	116.6
100	F	95.6	Very high	96.2	Very high	61 Å²	61	48.7 Å²	48.7	27%	0.268	25%	0.254	S	S	.	.			trans	-143	140.5	-178	-174.9	-103.2	0	0	0	111.5	T98 G102 V103 E153 A154 H157	T98-F100 PolarHBondContact O-N 3.27Å; F100-G102 VanDerWaalsContact CD1-N 3.3Å; F100-G102 VanDerWaalsContact CE1-C 3.49Å; F100-V103 HydrophobicContact CD1-CB 4.48Å; F100-V103 HydrophobicContact CD1-CG2 4.01Å; F100-V103 HydrophobicContact CE1-CG2 4.13Å; F100-E153 HydrophobicContact CE2-CB 4.29Å; F100-E153 HydrophobicContact CZ-CB 4.06Å; F100-A154 VanDerWaalsContact CE1-CA 3.41Å; F100-A154 HydrophobicContact CE1-CB 3.78Å; F100-A154 HydrophobicContact CZ-CB 4.15Å; F100-H157 HydrophobicContact CB-CB 4.47Å; F100-H157 WeakPolarHBondContact CB-CE1 3.37Å; F100-H157 WeakPolarHBondContact CB-ND1 3.3Å; F100-H157 WeakPolarHBondContact CB-NE2 3.36Å; F100-H157 HydrophobicContact CD1-CB 3.78Å; F100-H157 AromaticContact CD1-CD2 3.48Å; F100-H157 VanDerWaalsContact CD1-CD2 3.48Å; F100-H157 WeakPolarHBondContact CD1-CD2 3.19Å; F100-H157 AromaticContact CD1-CG 3.57Å; F100-H157 HydrophobicContact CD2-CB 4.12Å; F100-H157 HydrophobicContact CE1-CB 3.99Å; F100-H157 HydrophobicContact CE2-CB 4.32Å; F100-H157 HydrophobicContact CG-CB 3.85Å; F100-H157 AromaticContact CG-CD2 3.72Å; F100-H157 AromaticContact CG-CG 3.48Å; F100-H157 VanDerWaalsContact CG-CG 3.48Å; F100-H157 AromaticContact CG-ND1 3.78Å; F100-H157 HydrophobicContact CZ-CB 4.27Å
101	R	95.4	Very high	96.2	Very high	184 Å²	184	53.3 Å²	53.3	69%	0.694	28%	0.276	S	S	*	.	S	Bend	trans	-94.7	-23.3	-173.8	-61.5	-175.6	-156.8	-117.8	1.8	114.3	V103 K183	R101-V103 PolarHBondContact O-N 2.88Å; R101-K183 PolarHBondContact O-NZ 2.87Å
102	G	97.6	Very high	96	Very high	10 Å²	10	56.1 Å²	56.1	10%	0.103	28%	0.283	C	S	.	.	S	Bend	trans	-80	12.4	-173.9	0	0	0	0	0	115.2	F100 A154 M182 K183 L184	F100-G102 VanDerWaalsContact CD1-N 3.3Å; F100-G102 VanDerWaalsContact CE1-C 3.49Å; G102-A154 VanDerWaalsContact O-CB 3.29Å; G102-A154 WeakPolarHBondContact O-CB 2.95Å; G102-M182 VanDerWaalsContact CA-O 3.26Å; G102-M182 WeakPolarHBondContact CA-O 3.49Å; G102-K183 WeakPolarHBondContact O-CA 3.47Å; G102-L184 PolarHBondContact O-N 2.78Å
103	V	98.3	Very high	95.9	Very high	4 Å²	4	62 Å²	62	2%	0.024	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-128.1	137.7	171.1	178.3	0	0	0	0	107.6	V96 F100 R101 K105 A154 L184 F187	V96-V103 HydrophobicContact CB-CG1 4.31Å; V96-V103 HydrophobicContact CG2-CG1 3.67Å; F100-V103 HydrophobicContact CD1-CB 4.48Å; F100-V103 HydrophobicContact CD1-CG2 4.01Å; F100-V103 HydrophobicContact CE1-CG2 4.13Å; R101-V103 PolarHBondContact O-N 2.88Å; V103-K105 PolarHBondContact O-N 2.94Å; V103-A154 HydrophobicContact CG2-CB 4.32Å; V103-L184 HydrophobicContact CG2-CB 4.34Å; V103-F187 HydrophobicContact CG1-CE2 3.59Å; V103-F187 HydrophobicContact CG1-CZ 3.6Å
104	I	97.6	Very high	95.8	Very high	3 Å²	3	67.1 Å²	67.1	2%	0.015	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-61.7	127.2	177.6	-154.8	70.7	0	0	0	110.2	L93 M106 M120 E121 L174 K183 L184 I185	L93-I104 HydrophobicContact CD2-CG2 4.42Å; I104-M106 PolarHBondContact O-N 2.88Å; I104-M120 HydrophobicContact CG1-CB 4.23Å; I104-M120 HydrophobicContact CG2-SD 4.15Å; I104-E121 HydrophobicContact CD1-CG 3.47Å; I104-E121 VanDerWaalsContact CD1-CG 3.47Å; I104-E121 VanDerWaalsContact CD1-O 3.3Å; I104-E121 WeakPolarHBondContact CD1-O 3.19Å; I104-E121 HydrophobicContact CG1-CG 3.88Å; I104-E121 WeakPolarHBondContact CG1-O 3.42Å; I104-L174 HydrophobicContact CD1-CD1 4.43Å; I104-K183 HydrophobicContact CD1-CB 4.48Å; I104-K183 HydrophobicContact CD1-CD 3.93Å; I104-L184 PolarHBondContact N-O 3.33Å; I104-I185 HydrophobicContact CB-CG2 3.74Å; I104-I185 HydrophobicContact CD1-CG2 4.42Å; I104-I185 HydrophobicContact CG1-CG2 4.13Å; I104-I185 HydrophobicContact CG2-CB 4.27Å; I104-I185 HydrophobicContact CG2-CG2 3.83Å
105	K	97.3	Very high	95.8	Very high	100 Å²	100	60.4 Å²	60.4	44%	0.435	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-81.1	123.3	-179.1	-169.5	175	-178.3	-178.2	0	111.3	G97 V103 L107 M120 E121	G97-K105 WeakPolarHBondContact O-CE 3.3Å; V103-K105 PolarHBondContact O-N 2.94Å; K105-L107 HydrophobicContact CD-CD2 4.27Å; K105-L107 HydrophobicContact CG-CD2 4.29Å; K105-L107 PolarHBondContact O-N 3.16Å; K105-M120 CarbonylContact O-C 3.57Å; K105-M120 VanDerWaalsContact O-CA 3.27Å; K105-M120 WeakPolarHBondContact O-CA 3.45Å; K105-E121 HydrophobicContact CB-CG 4.1Å; K105-E121 PolarHBondContact N-OE1 2.79Å; K105-E121 PolarHBondContact O-N 2.76Å
106	M	97.8	Very high	95.8	Very high	26 Å²	26	56.4 Å²	56.4	13%	0.128	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	120.6	160.7	-176.6	-175.1	73.9	0	0	109.3	I90 L93 K94 I104 W109 I118 V119	I90-M106 HydrophobicContact CG2-CE 4.2Å; I90-M106 HydrophobicContact CG2-SD 4.05Å; L93-M106 HydrophobicContact CB-CB 3.85Å; L93-M106 HydrophobicContact CB-SD 4.1Å; L93-M106 HydrophobicContact CD1-CB 4.25Å; L93-M106 HydrophobicContact CD1-SD 4.36Å; K94-M106 HydrophobicContact CB-CE 4.03Å; I104-M106 PolarHBondContact O-N 2.88Å; M106-W109 HydrophobicContact SD-CB 4.38Å; M106-I118 HydrophobicContact CG-CG2 3.84Å; M106-I118 HydrophobicContact SD-CG2 3.93Å; M106-V119 CarbonylContact C-O 3.53Å
107	L	97.4	Very high	95.8	Very high	58 Å²	58	56.6 Å²	56.6	30%	0.304	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-41	178.6	-57.6	179.5	0	0	0	110.9	V64 K105 V119 E121	V64-L107 HydrophobicContact CG1-CD1 3.74Å; K105-L107 HydrophobicContact CD-CD2 4.27Å; K105-L107 HydrophobicContact CG-CD2 4.29Å; K105-L107 PolarHBondContact O-N 3.16Å; L107-V119 HydrophobicContact CB-CG1 4.4Å; L107-V119 PolarHBondContact N-O 2.89Å; L107-E121 HydrophobicContact CD1-CB 4.42Å; L107-E121 HydrophobicContact CD2-CB 4.4Å; L107-E121 HydrophobicContact CG-CB 4.5Å
108	D	96.6	Very high	96	Very high	36 Å²	36	56 Å²	56	19%	0.193	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	171.6	-179.9	-154.8	4.1	0	0	0	112.1	K31 F110 V119	K31-D108 WeakPolarHBondContact CE-OD2 3.43Å; K31-D108 IonicContact NZ-OD1 2.62Å; K31-D108 PolarHBondContact NZ-OD1 2.86Å; K31-D108 IonicContact NZ-OD2 2.91Å; K31-D108 PolarHBondContact NZ-OD2 2.79Å; D108-F110 HydrophobicContact CB-CE2 4.11Å; D108-F110 WeakPolarHBondContact OD2-CE2 3.46Å; D108-F110 WeakPolarHBondContact OD2-CZ 3.07Å; D108-V119 HydrophobicContact CB-CB 4.35Å; D108-V119 PolarHBondContact N-O 2.91Å; D108-V119 PolarHBondContact O-N 2.68Å
109	W	97.3	Very high	96.4	Very high	57 Å²	57	51 Å²	51	22%	0.216	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	150.2	172	67.1	-86.4	0	0	0	112.6	K31 L80 V86 I90 M106 E111 F116 I117	K31-W109 PolarHBondContact NZ-O 2.96Å; L80-W109 HydrophobicContact CD1-CH2 4.18Å; L80-W109 HydrophobicContact CD1-CZ2 3.72Å; V86-W109 HydrophobicContact CG1-CH2 3.67Å; V86-W109 HydrophobicContact CG1-CZ2 4.18Å; V86-W109 HydrophobicContact CG1-CZ3 3.89Å; I90-W109 HydrophobicContact CD1-CB 3.9Å; I90-W109 HydrophobicContact CD1-CD2 3.93Å; I90-W109 HydrophobicContact CD1-CE3 3.93Å; I90-W109 HydrophobicContact CD1-CG 3.92Å; I90-W109 HydrophobicContact CG2-CB 4.49Å; I90-W109 HydrophobicContact CG2-CD2 4.19Å; I90-W109 HydrophobicContact CG2-CG 3.88Å; M106-W109 HydrophobicContact SD-CB 4.38Å; W109-E111 HydrophobicContact CZ3-CB 4.21Å; W109-F116 HydrophobicContact CE3-CD1 4.15Å; W109-F116 HydrophobicContact CE3-CE1 4.41Å; W109-F116 HydrophobicContact CZ3-CD1 4.21Å; W109-F116 HydrophobicContact CZ3-CE1 4.02Å; W109-I117 CarbonylContact C-O 3.6Å; W109-I117 WeakPolarHBondContact CA-O 3.41Å; W109-I117 WeakPolarHBondContact CB-O 3.22Å
110	F	97.1	Very high	96.9	Very high	18 Å²	18	47.4 Å²	47.4	8%	0.079	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	147	-178.8	-56.4	-101.5	0	0	0	110.1	K31 F34 L37 Y38 D108 F116 I117 V119	K31-F110 HydrophobicContact CD-CD1 4.22Å; K31-F110 HydrophobicContact CD-CE1 4.05Å; K31-F110 HydrophobicContact CG-CE1 4.37Å; F34-F110 HydrophobicContact CB-CD1 3.91Å; F34-F110 HydrophobicContact CB-CD2 4.27Å; F34-F110 HydrophobicContact CB-CE1 4.1Å; F34-F110 HydrophobicContact CB-CE2 4.49Å; F34-F110 HydrophobicContact CB-CG 4.01Å; F34-F110 HydrophobicContact CB-CZ 4.41Å; F34-F110 AromaticContact CD2-CD2 3.74Å; F34-F110 HydrophobicContact CD2-CD2 3.74Å; F34-F110 AromaticContact CD2-CE2 3.77Å; F34-F110 HydrophobicContact CD2-CE2 3.77Å; F34-F110 HydrophobicContact CD2-CG 4.31Å; F34-F110 HydrophobicContact CD2-CZ 4.33Å; F34-F110 HydrophobicContact CG-CD2 4.43Å; L37-F110 HydrophobicContact CD1-CE1 4.15Å; L37-F110 HydrophobicContact CD1-CZ 3.87Å; Y38-F110 HydrophobicContact CD2-CE2 4.23Å; Y38-F110 HydrophobicContact CD2-CZ 4.32Å; Y38-F110 AromaticContact CE2-CE2 3.78Å; Y38-F110 HydrophobicContact CE2-CE2 3.78Å; Y38-F110 AromaticContact CE2-CZ 3.8Å; Y38-F110 HydrophobicContact CE2-CZ 3.8Å; D108-F110 HydrophobicContact CB-CE2 4.11Å; D108-F110 WeakPolarHBondContact OD2-CE2 3.46Å; D108-F110 WeakPolarHBondContact OD2-CZ 3.07Å; F110-F116 CarbonylContact O-C 3.54Å; F110-F116 WeakPolarHBondContact O-CA 3.43Å; F110-I117 HydrophobicContact CB-CB 4.2Å; F110-I117 HydrophobicContact CD2-CG2 4.38Å; F110-I117 PolarHBondContact N-O 3.35Å; F110-I117 PolarHBondContact O-N 3.35Å; F110-V119 HydrophobicContact CD2-CG2 4.26Å; F110-V119 HydrophobicContact CE2-CG2 3.92Å
111	E	95.9	Very high	97	Very high	99 Å²	99	47 Å²	47	46%	0.463	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	136.4	170.9	-175.5	172.5	-175.1	0	0	109.5	K71 W109 F116	K71-E111 WeakPolarHBondContact CE-OE1 3.46Å; K71-E111 IonicContact NZ-OE1 2.71Å; K71-E111 PolarHBondContact NZ-OE1 3.2Å; W109-E111 HydrophobicContact CZ3-CB 4.21Å; E111-F116 HydrophobicContact CB-CD1 4.05Å; E111-F116 HydrophobicContact CB-CE1 3.75Å; E111-F116 HydrophobicContact CG-CD1 4.21Å; E111-F116 HydrophobicContact CG-CE1 3.65Å; E111-F116 HydrophobicContact CG-CZ 3.91Å
112	R	94.4	Very high	97	Very high	89 Å²	89	40.9 Å²	40.9	34%	0.336	20%	0.201	S	C	.	.			trans	-116.4	169.6	169.2	-75	-175	169.6	-179.1	1.2	109.2	E35 K71 D114 S115 I117	E35-R112 IonicContact OE1-CZ 3.67Å; E35-R112 IonicContact OE1-NH2 2.65Å; E35-R112 PolarHBondContact OE1-NH2 2.65Å; K71-R112 WeakPolarHBondContact CE-O 2.97Å; K71-R112 PolarHBondContact NZ-O 3.18Å; R112-D114 PolarHBondContact O-N 3.46Å; R112-S115 PolarHBondContact N-O 2.88Å; R112-I117 HydrophobicContact CG-CD1 4.42Å
113	P	95.1	Very high	96.8	Very high	123 Å²	123	41 Å²	41	80%	0.799	20%	0.2	S	C	*	.	S	Bend	trans	-53.1	-42	179.1	-29.5	37.4	0	0	0	113.5	K71	K71-P113 PolarHBondContact NZ-O 2.91Å
114	D	95.4	Very high	96.3	Very high	109 Å²	109	46.5 Å²	46.5	58%	0.583	23%	0.225	S	C	*	.	S	Bend	trans	-114.3	-3.5	-171.8	62.1	-24.2	0	0	0	114.3	K71 R112	K71-D114 PolarHBondContact N-O 2.91Å; R112-D114 PolarHBondContact O-N 3.46Å
115	S	96.4	Very high	96.1	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	171.9	-175	70.6	0	0	0	0	114.5	H68 V69 R112	H68-S115 PolarHBondContact CD2-OG 3.41Å; H68-S115 WeakPolarHBondContact CE1-CB 3.42Å; H68-S115 PolarHBondContact CE1-OG 2.88Å; H68-S115 WeakPolarHBondContact NE2-CB 3.47Å; H68-S115 PolarHBondContact NE2-OG 2.97Å; V69-S115 CarbonylContact O-C 3.49Å; V69-S115 VanDerWaalsContact O-CA 3.24Å; V69-S115 WeakPolarHBondContact O-CA 3.04Å; V69-S115 VanDerWaalsContact O-CB 3.3Å; V69-S115 WeakPolarHBondContact O-CB 3.32Å; R112-S115 PolarHBondContact N-O 2.88Å
116	F	97.6	Very high	96	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	147	163.8	-71.8	-89.3	0	0	0	110.1	H68 V69 K71 W77 V86 P87 I90 W109 F110 E111	H68-F116 WeakPolarHBondContact CA-O 3.46Å; V69-F116 PolarHBondContact N-O 2.95Å; V69-F116 PolarHBondContact O-N 2.95Å; K71-F116 HydrophobicContact CD-CE2 4.15Å; K71-F116 HydrophobicContact CG-CD2 3.96Å; K71-F116 HydrophobicContact CG-CE2 3.78Å; W77-F116 AromaticContact CH2-CE2 3.7Å; W77-F116 HydrophobicContact CH2-CE2 3.7Å; W77-F116 HydrophobicContact CH2-CZ 4.43Å; W77-F116 AromaticContact CZ3-CE2 3.54Å; W77-F116 HydrophobicContact CZ3-CE2 3.54Å; W77-F116 AromaticContact CZ3-CZ 3.89Å; W77-F116 HydrophobicContact CZ3-CZ 3.89Å; V86-F116 HydrophobicContact CB-CE1 4.45Å; V86-F116 HydrophobicContact CG1-CE1 4.12Å; P87-F116 HydrophobicContact CG-CB 4.15Å; P87-F116 HydrophobicContact CG-CD1 4.38Å; P87-F116 HydrophobicContact CG-CD2 3.53Å; P87-F116 HydrophobicContact CG-CE2 4Å; P87-F116 HydrophobicContact CG-CG 3.76Å; I90-F116 HydrophobicContact CD1-CD1 4.13Å; W109-F116 HydrophobicContact CE3-CD1 4.15Å; W109-F116 HydrophobicContact CE3-CE1 4.41Å; W109-F116 HydrophobicContact CZ3-CD1 4.21Å; W109-F116 HydrophobicContact CZ3-CE1 4.02Å; F110-F116 CarbonylContact O-C 3.54Å; F110-F116 WeakPolarHBondContact O-CA 3.43Å; E111-F116 HydrophobicContact CB-CD1 4.05Å; E111-F116 HydrophobicContact CB-CE1 3.75Å; E111-F116 HydrophobicContact CG-CD1 4.21Å; E111-F116 HydrophobicContact CG-CE1 3.65Å; E111-F116 HydrophobicContact CG-CZ 3.91Å
117	I	98	Very high	96	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.015	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	128.3	170.3	-64.5	167.9	0	0	0	107.8	F34 V66 K67 W109 F110 R112 V119	F34-I117 HydrophobicContact CD1-CD1 4.05Å; F34-I117 HydrophobicContact CD2-CD1 4.35Å; F34-I117 HydrophobicContact CD2-CG2 4.06Å; F34-I117 HydrophobicContact CE1-CD1 4.32Å; F34-I117 HydrophobicContact CE2-CG2 3.8Å; F34-I117 HydrophobicContact CG-CD1 4.07Å; F34-I117 HydrophobicContact CZ-CG2 4.34Å; V66-I117 HydrophobicContact CG1-CG2 3.55Å; K67-I117 CarbonylContact O-C 3.47Å; K67-I117 WeakPolarHBondContact O-CA 3.42Å; W109-I117 CarbonylContact C-O 3.6Å; W109-I117 WeakPolarHBondContact CA-O 3.41Å; W109-I117 WeakPolarHBondContact CB-O 3.22Å; F110-I117 HydrophobicContact CB-CB 4.2Å; F110-I117 HydrophobicContact CD2-CG2 4.38Å; F110-I117 PolarHBondContact N-O 3.35Å; F110-I117 PolarHBondContact O-N 3.35Å; R112-I117 HydrophobicContact CG-CD1 4.42Å; I117-V119 HydrophobicContact CG2-CG2 4.18Å
118	I	98.2	Very high	96	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	119.5	175	-51.2	176.3	0	0	0	107.4	K67 V69 E89 I90 L93 M106 M120	K67-I118 HydrophobicContact CB-CB 4.34Å; K67-I118 PolarHBondContact N-O 2.99Å; K67-I118 PolarHBondContact O-N 3.49Å; V69-I118 HydrophobicContact CG2-CD1 4.37Å; E89-I118 HydrophobicContact CG-CD1 4.19Å; I90-I118 HydrophobicContact CD1-CD1 4.41Å; I90-I118 HydrophobicContact CD1-CG1 4.18Å; I90-I118 HydrophobicContact CG1-CD1 3.78Å; I90-I118 HydrophobicContact CG1-CG1 3.98Å; L93-I118 HydrophobicContact CD1-CG2 3.91Å; M106-I118 HydrophobicContact CG-CG2 3.84Å; M106-I118 HydrophobicContact SD-CG2 3.93Å; I118-M120 HydrophobicContact CG2-CG 4.13Å; I118-M120 HydrophobicContact CG2-SD 4.48Å
119	V	98.5	Very high	96	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	124.9	178.3	-174.6	0	0	0	0	108.9	F34 Y38 V64 A65 M106 L107 D108 F110 I117	F34-V119 HydrophobicContact CD2-CG2 4.43Å; F34-V119 HydrophobicContact CE2-CG2 4.02Å; Y38-V119 HydrophobicContact CD1-CG1 4.11Å; Y38-V119 HydrophobicContact CD2-CG2 4.29Å; Y38-V119 HydrophobicContact CE1-CG1 3.62Å; Y38-V119 HydrophobicContact CE2-CG1 4.46Å; Y38-V119 HydrophobicContact CE2-CG2 4.08Å; V64-V119 HydrophobicContact CB-CG1 3.96Å; V64-V119 HydrophobicContact CG1-CG1 4.14Å; V64-V119 HydrophobicContact CG2-CG1 4.21Å; A65-V119 WeakPolarHBondContact O-CA 3.31Å; M106-V119 CarbonylContact C-O 3.53Å; L107-V119 HydrophobicContact CB-CG1 4.4Å; L107-V119 PolarHBondContact N-O 2.89Å; D108-V119 HydrophobicContact CB-CB 4.35Å; D108-V119 PolarHBondContact N-O 2.91Å; D108-V119 PolarHBondContact O-N 2.68Å; F110-V119 HydrophobicContact CD2-CG2 4.26Å; F110-V119 HydrophobicContact CE2-CG2 3.92Å; I117-V119 HydrophobicContact CG2-CG2 4.18Å
120	M	98.2	Very high	96.1	Very high	15 Å²	15	47.3 Å²	47.3	7%	0.074	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	155.8	-176.7	-62.1	168.6	-71.7	0	0	110.5	V64 A65 K67 I104 K105 I118	V64-M120 CarbonylContact C-O 3.49Å; V64-M120 VanDerWaalsContact CA-O 3.32Å; V64-M120 WeakPolarHBondContact CA-O 3.38Å; V64-M120 WeakPolarHBondContact CB-O 3.37Å; A65-M120 HydrophobicContact CB-CB 4.4Å; A65-M120 HydrophobicContact CB-CE 4.27Å; A65-M120 PolarHBondContact N-O 3.07Å; A65-M120 PolarHBondContact O-N 3.04Å; K67-M120 HydrophobicContact CB-CE 3.61Å; K67-M120 HydrophobicContact CD-CE 4.38Å; I104-M120 HydrophobicContact CG1-CB 4.23Å; I104-M120 HydrophobicContact CG2-SD 4.15Å; K105-M120 CarbonylContact O-C 3.57Å; K105-M120 VanDerWaalsContact O-CA 3.27Å; K105-M120 WeakPolarHBondContact O-CA 3.45Å; I118-M120 HydrophobicContact CG2-CG 4.13Å; I118-M120 HydrophobicContact CG2-SD 4.48Å
121	E	96.5	Very high	96.1	Very high	54 Å²	54	49.9 Å²	49.9	25%	0.252	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.1	152.3	167.2	74.2	-178.6	158.7	0	0	110.1	I104 K105 L107 K183	I104-E121 HydrophobicContact CD1-CG 3.47Å; I104-E121 VanDerWaalsContact CD1-CG 3.47Å; I104-E121 VanDerWaalsContact CD1-O 3.3Å; I104-E121 WeakPolarHBondContact CD1-O 3.19Å; I104-E121 HydrophobicContact CG1-CG 3.88Å; I104-E121 WeakPolarHBondContact CG1-O 3.42Å; K105-E121 HydrophobicContact CB-CG 4.1Å; K105-E121 PolarHBondContact N-OE1 2.79Å; K105-E121 PolarHBondContact O-N 2.76Å; L107-E121 HydrophobicContact CD1-CB 4.42Å; L107-E121 HydrophobicContact CD2-CB 4.4Å; L107-E121 HydrophobicContact CG-CB 4.5Å; E121-K183 IonicContact OE1-NZ 2.87Å; E121-K183 PolarHBondContact OE1-NZ 3.46Å; E121-K183 IonicContact OE2-NZ 3.78Å
122	R	96.6	Very high	96.2	Very high	54 Å²	54	46.5 Å²	46.5	20%	0.204	24%	0.236	C	C	.	.			trans	-139.7	116.3	175.1	-179.9	172.4	59.4	78.7	-2.2	109.6	G55 P63 V64 A65	G55-R122 PolarHBondContact O-NH2 2.9Å; P63-R122 WeakPolarHBondContact CG-O 3.36Å; P63-R122 PolarHBondContact O-N 3.12Å; V64-R122 PolarHBondContact O-NE 3.34Å; A65-R122 HydrophobicContact CB-CB 4.23Å
123	P	93.8	Very high	96.4	Very high	13 Å²	13	42.5 Å²	42.5	8%	0.084	22%	0.221	C	C	.	.			trans	-60.7	145	171.8	-14.9	27.3	0	0	0	110.6	V126 D176 K183	P123-V126 HydrophobicContact CB-CB 4.09Å; P123-V126 HydrophobicContact CB-CG2 4.31Å; P123-V126 HydrophobicContact CG-CB 4.44Å; P123-V126 HydrophobicContact CG-CG2 4.15Å; P123-D176 HydrophobicContact CB-CB 4.21Å; P123-K183 HydrophobicContact CG-CD 4.04Å
124	E	87.2	Confident	96.5	Very high	119 Å²	119	41.1 Å²	41.1	56%	0.556	21%	0.211	S	C	*	.	S	Bend	trans	-68	-48	-176.2	-71.6	173.1	162.4	0	0	112	P63 R178	P63-E124 HydrophobicContact CG-CG 3.79Å; E124-R178 IonicContact OE2-CZ 3.05Å; E124-R178 IonicContact OE2-NH1 2.65Å; E124-R178 PolarHBondContact OE2-NH1 3.28Å; E124-R178 IonicContact OE2-NH2 3.52Å
125	T	93.3	Very high	96.6	Very high	65 Å²	65	41.7 Å²	41.7	40%	0.399	21%	0.21	S	C	.	.	S	Bend	trans	-108.8	87.7	-179.9	50.2	0	0	0	0	108.6	L177	T125-L177 PolarHBondContact O-N 3.02Å
126	V	95.6	Very high	96.6	Very high	52 Å²	52	48.3 Å²	48.3	32%	0.315	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	147.5	-171.3	70.9	0	0	0	0	111.3	P123 L174 I175	P123-V126 HydrophobicContact CB-CB 4.09Å; P123-V126 HydrophobicContact CB-CG2 4.31Å; P123-V126 HydrophobicContact CG-CB 4.44Å; P123-V126 HydrophobicContact CG-CG2 4.15Å; V126-L174 HydrophobicContact CG2-CB 3.72Å; V126-L174 HydrophobicContact CG2-CD1 3.96Å; V126-L174 HydrophobicContact CG2-CD2 4.12Å; V126-L174 HydrophobicContact CG2-CG 4.15Å; V126-I175 WeakPolarHBondContact CA-O 3.45Å
127	K	96	Very high	96.6	Very high	46 Å²	46	49.6 Å²	49.6	20%	0.2	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	143.8	169.6	-169.1	172.6	-66.1	-157.3	0	108.2	D131 F132 E135 I175 L177	K127-D131 HydrophobicContact CD-CB 3.87Å; K127-D131 HydrophobicContact CG-CB 3.69Å; K127-F132 HydrophobicContact CD-CB 4.23Å; K127-E135 IonicContact NZ-OE1 3.2Å; K127-E135 PolarHBondContact NZ-OE1 3.02Å; K127-E135 IonicContact NZ-OE2 2.64Å; K127-E135 PolarHBondContact NZ-OE2 2.82Å; K127-I175 PolarHBondContact N-O 2.81Å; K127-I175 VanDerWaalsContact N-O 3.16Å; K127-I175 PolarHBondContact O-N 2.96Å; K127-L177 HydrophobicContact CB-CD1 4.18Å; K127-L177 HydrophobicContact CB-CD2 4.36Å; K127-L177 HydrophobicContact CB-CG 4.41Å
128	D	97.5	Very high	96.6	Very high	43 Å²	43	50 Å²	50	23%	0.23	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	161.2	168	57.2	63.7	0	0	0	111.2	F130 D131 F132 I173 L174	D128-F130 VanDerWaalsContact C-N 3.26Å; D128-F130 PolarHBondContact O-N 2.99Å; D128-F130 WeakPolarHBondContact OD1-CB 3.46Å; D128-F130 PolarHBondContact OD1-N 3.31Å; D128-D131 WeakPolarHBondContact OD1-CB 3.46Å; D128-D131 PolarHBondContact OD1-N 3.24Å; D128-F132 WeakPolarHBondContact O-CB 3.43Å; D128-F132 PolarHBondContact O-N 3.42Å; D128-F132 VanDerWaalsContact O-N 3.16Å; D128-I173 CarbonylContact C-O 3.59Å; D128-I173 VanDerWaalsContact CA-O 3.3Å; D128-I173 WeakPolarHBondContact CA-O 3.42Å; D128-L174 HydrophobicContact CB-CD2 3.94Å
129	L	98.4	Very high	96.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-69.4	-28.4	-177	177.6	66.1	0	0	0	111.4	F132 I133 L139 F147 D170 I173 I175 M182 L232 M236	L129-F132 HydrophobicContact CD1-CD1 4.41Å; L129-F132 PolarHBondContact O-N 3.12Å; L129-I133 HydrophobicContact CD1-CD1 3.89Å; L129-I133 HydrophobicContact CD1-CG1 3.95Å; L129-I133 HydrophobicContact CD2-CD1 4.26Å; L129-I133 HydrophobicContact CG-CD1 3.73Å; L129-I133 HydrophobicContact CG-CG1 4.21Å; L129-I133 WeakPolarHBondContact O-CB 3.33Å; L129-I133 WeakPolarHBondContact O-CG1 3.28Å; L129-I133 PolarHBondContact O-N 3.4Å; L129-L139 HydrophobicContact CD1-CD1 4.33Å; L129-F147 HydrophobicContact CD1-CD2 3.99Å; L129-F147 HydrophobicContact CD1-CE2 4.18Å; L129-D170 HydrophobicContact CB-CB 4.05Å; L129-D170 WeakPolarHBondContact CB-O 3.46Å; L129-D170 HydrophobicContact CD2-CB 3.97Å; L129-D170 HydrophobicContact CG-CB 3.92Å; L129-D170 PolarHBondContact N-O 3.34Å; L129-I173 HydrophobicContact CB-CB 4.21Å; L129-I173 HydrophobicContact CB-CG2 4.5Å; L129-I173 HydrophobicContact CD2-CD1 4.23Å; L129-I173 PolarHBondContact N-O 3.31Å; L129-I175 HydrophobicContact CB-CD1 4.35Å; L129-I175 HydrophobicContact CD1-CD1 3.86Å; L129-M182 HydrophobicContact CD1-CE 4.28Å; L129-M182 HydrophobicContact CD2-CE 4.1Å; L129-L232 HydrophobicContact CD2-CD1 3.96Å; L129-M236 HydrophobicContact CD2-CE 3.39Å; L129-M236 HydrophobicContact CD2-CG 4.27Å
130	F	98.1	Very high	96.5	Very high	91 Å²	91	54.7 Å²	54.7	40%	0.399	29%	0.286	S	S	.	.	H	α-helix	trans	-61.4	-53.5	176.3	174.6	-88.3	0	0	0	111.3	D128 F132 I133 T134 D170 E171	D128-F130 VanDerWaalsContact C-N 3.26Å; D128-F130 PolarHBondContact O-N 2.99Å; D128-F130 WeakPolarHBondContact OD1-CB 3.46Å; D128-F130 PolarHBondContact OD1-N 3.31Å; F130-F132 VanDerWaalsContact C-N 3.26Å; F130-F132 PolarHBondContact O-N 3.47Å; F130-I133 PolarHBondContact O-N 3.22Å; F130-T134 VanDerWaalsContact O-CB 3.32Å; F130-T134 WeakPolarHBondContact O-CB 3.4Å; F130-T134 PolarHBondContact O-N 2.94Å; F130-T134 PolarHBondContact O-OG1 3.43Å; F130-D170 WeakPolarHBondContact CA-OD2 3.32Å; F130-D170 HydrophobicContact CB-CB 4.33Å; F130-D170 WeakPolarHBondContact CB-OD2 3.42Å; F130-D170 VanDerWaalsContact CD2-OD2 3.25Å; F130-D170 WeakPolarHBondContact CD2-OD2 3.49Å; F130-E171 HydrophobicContact CB-CG 3.95Å; F130-E171 HydrophobicContact CD2-CG 4.14Å; F130-E171 HydrophobicContact CG-CG 4.1Å
131	D	97.7	Very high	96.5	Very high	73 Å²	73	56.1 Å²	56.1	39%	0.39	29%	0.292	S	S	.	.	H	α-helix	trans	-62.4	-37.3	176.7	-83.9	-9	0	0	0	110.8	K127 D128 T134 E135	K127-D131 HydrophobicContact CD-CB 3.87Å; K127-D131 HydrophobicContact CG-CB 3.69Å; D128-D131 WeakPolarHBondContact OD1-CB 3.46Å; D128-D131 PolarHBondContact OD1-N 3.24Å; D131-T134 PolarHBondContact O-N 3.25Å; D131-E135 WeakPolarHBondContact O-CB 3Å; D131-E135 WeakPolarHBondContact O-CG 3.48Å; D131-E135 PolarHBondContact O-N 2.95Å
132	F	98.3	Very high	96.5	Very high	28 Å²	28	58.3 Å²	58.3	12%	0.123	30%	0.302	C	S	.	.	H	α-helix	trans	-63.1	-45.8	176.9	-171.4	-88	0	0	0	112.3	K127 D128 L129 F130 K136 L139 L143 F147 I175 L177	K127-F132 HydrophobicContact CD-CB 4.23Å; D128-F132 WeakPolarHBondContact O-CB 3.43Å; D128-F132 PolarHBondContact O-N 3.42Å; D128-F132 VanDerWaalsContact O-N 3.16Å; L129-F132 HydrophobicContact CD1-CD1 4.41Å; L129-F132 PolarHBondContact O-N 3.12Å; F130-F132 VanDerWaalsContact C-N 3.26Å; F130-F132 PolarHBondContact O-N 3.47Å; F132-K136 HydrophobicContact CD1-CG 4.34Å; F132-K136 HydrophobicContact CE1-CG 4.1Å; F132-K136 HydrophobicContact CZ-CG 4.23Å; F132-K136 WeakPolarHBondContact O-CB 3.16Å; F132-K136 VanDerWaalsContact O-CG 3.28Å; F132-K136 WeakPolarHBondContact O-CG 3.45Å; F132-K136 PolarHBondContact O-N 2.93Å; F132-L139 HydrophobicContact CD1-CD2 3.94Å; F132-L139 HydrophobicContact CE1-CD1 4.47Å; F132-L139 HydrophobicContact CE1-CD2 3.65Å; F132-L143 HydrophobicContact CE1-CD2 4.08Å; F132-L143 HydrophobicContact CZ-CD2 4.24Å; F132-F147 HydrophobicContact CD1-CE2 4.24Å; F132-F147 AromaticContact CE1-CE2 3.89Å; F132-F147 HydrophobicContact CE1-CE2 3.89Å; F132-F147 HydrophobicContact CE1-CZ 4.39Å; F132-F147 HydrophobicContact CZ-CE2 4.36Å; F132-F147 HydrophobicContact CZ-CZ 4.41Å; F132-I175 HydrophobicContact CB-CD1 3.75Å; F132-I175 HydrophobicContact CD1-CD1 4.09Å; F132-I175 HydrophobicContact CD2-CD1 3.88Å; F132-I175 HydrophobicContact CG-CD1 3.64Å; F132-L177 HydrophobicContact CD2-CD2 4.23Å; F132-L177 HydrophobicContact CE2-CD2 4.28Å
133	I	98.2	Very high	96.6	Very high	5 Å²	5	58.5 Å²	58.5	3%	0.026	31%	0.307	C	S	.	.	H	α-helix	trans	-69.2	-40.5	176.6	-69.3	171.2	0	0	0	110.4	L129 F130 E135 K136 G137 L139 D235 M236	L129-I133 HydrophobicContact CD1-CD1 3.89Å; L129-I133 HydrophobicContact CD1-CG1 3.95Å; L129-I133 HydrophobicContact CD2-CD1 4.26Å; L129-I133 HydrophobicContact CG-CD1 3.73Å; L129-I133 HydrophobicContact CG-CG1 4.21Å; L129-I133 WeakPolarHBondContact O-CB 3.33Å; L129-I133 WeakPolarHBondContact O-CG1 3.28Å; L129-I133 PolarHBondContact O-N 3.4Å; F130-I133 PolarHBondContact O-N 3.22Å; I133-E135 VanDerWaalsContact C-N 3.29Å; I133-E135 PolarHBondContact O-N 3.43Å; I133-K136 PolarHBondContact O-N 3.35Å; I133-G137 CarbonylContact O-C 3.6Å; I133-G137 WeakPolarHBondContact O-CA 3.42Å; I133-G137 PolarHBondContact O-N 3.24Å; I133-L139 HydrophobicContact CG1-CD1 4.21Å; I133-L139 HydrophobicContact CG1-CD2 4.35Å; I133-L139 HydrophobicContact CG1-CG 4.22Å; I133-D235 WeakPolarHBondContact CD1-OD2 3.23Å; I133-M236 HydrophobicContact CD1-CG 4.28Å
134	T	97.6	Very high	96.8	Very high	93 Å²	93	57.9 Å²	57.9	57%	0.571	30%	0.303	S	S	*	.	H	α-helix	trans	-57.8	-42	177.1	-63.8	0	0	0	0	111.6	F130 D131	F130-T134 VanDerWaalsContact O-CB 3.32Å; F130-T134 WeakPolarHBondContact O-CB 3.4Å; F130-T134 PolarHBondContact O-N 2.94Å; F130-T134 PolarHBondContact O-OG1 3.43Å; D131-T134 PolarHBondContact O-N 3.25Å
135	E	97.2	Very high	97.3	Very high	121 Å²	121	53 Å²	53	57%	0.565	28%	0.28	S	S	*	.	H	α-helix	trans	-76.5	-37.9	178.5	-74.1	177.7	-171	0	0	114.1	K127 D131 I133	K127-E135 IonicContact NZ-OE1 3.2Å; K127-E135 PolarHBondContact NZ-OE1 3.02Å; K127-E135 IonicContact NZ-OE2 2.64Å; K127-E135 PolarHBondContact NZ-OE2 2.82Å; D131-E135 WeakPolarHBondContact O-CB 3Å; D131-E135 WeakPolarHBondContact O-CG 3.48Å; D131-E135 PolarHBondContact O-N 2.95Å; I133-E135 VanDerWaalsContact C-N 3.29Å; I133-E135 PolarHBondContact O-N 3.43Å
136	K	96.4	Very high	97.5	Very high	139 Å²	139	52.3 Å²	52.3	60%	0.604	28%	0.277	S	S	*	.	H	α-helix	trans	-92.3	-17	-174.2	-62.6	-60.4	-178.4	-172.7	0	113.4	F132 I133 L139	F132-K136 HydrophobicContact CD1-CG 4.34Å; F132-K136 HydrophobicContact CE1-CG 4.1Å; F132-K136 HydrophobicContact CZ-CG 4.23Å; F132-K136 WeakPolarHBondContact O-CB 3.16Å; F132-K136 VanDerWaalsContact O-CG 3.28Å; F132-K136 WeakPolarHBondContact O-CG 3.45Å; F132-K136 PolarHBondContact O-N 2.93Å; I133-K136 PolarHBondContact O-N 3.35Å; K136-L139 HydrophobicContact CB-CD2 4.25Å
137	G	97.1	Very high	97.7	Very high	27 Å²	27	50.3 Å²	50.3	28%	0.278	27%	0.265	S	S	.	.			trans	64.5	-160.3	-160.7	0	0	0	0	0	111.5	I133 L139	I133-G137 CarbonylContact O-C 3.6Å; I133-G137 WeakPolarHBondContact O-CA 3.42Å; I133-G137 PolarHBondContact O-N 3.24Å; G137-L139 PolarHBondContact O-N 2.87Å
138	A	97.8	Very high	97.8	Very high	13 Å²	13	48.1 Å²	48.1	11%	0.107	26%	0.255	C	S	.	.	S	Bend	trans	-54.1	135	177.7	0	0	0	0	0	112.9	V237 C238 R258	A138-V237 WeakPolarHBondContact CB-O 3.48Å; A138-C238 VanDerWaalsContact CB-C 3.45Å; A138-R258 VanDerWaalsContact CB-CZ 3.4Å
139	L	98.1	Very high	97.9	Very high	9 Å²	9	50.1 Å²	50.1	5%	0.047	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-79.8	144.5	-176.5	-53.3	-175.3	0	0	0	111.2	L129 F132 I133 K136 G137 E141 L143 A144 F147 M236	L129-L139 HydrophobicContact CD1-CD1 4.33Å; F132-L139 HydrophobicContact CD1-CD2 3.94Å; F132-L139 HydrophobicContact CE1-CD1 4.47Å; F132-L139 HydrophobicContact CE1-CD2 3.65Å; I133-L139 HydrophobicContact CG1-CD1 4.21Å; I133-L139 HydrophobicContact CG1-CD2 4.35Å; I133-L139 HydrophobicContact CG1-CG 4.22Å; K136-L139 HydrophobicContact CB-CD2 4.25Å; G137-L139 PolarHBondContact O-N 2.87Å; L139-E141 PolarHBondContact O-N 2.72Å; L139-L143 HydrophobicContact CD2-CD2 4.37Å; L139-A144 HydrophobicContact CB-CB 4.28Å; L139-F147 HydrophobicContact CD1-CD2 3.93Å; L139-F147 HydrophobicContact CD1-CE2 4.19Å; L139-M236 VanDerWaalsContact CB-O 3.28Å; L139-M236 WeakPolarHBondContact CB-O 3.39Å; L139-M236 HydrophobicContact CD1-CB 4.28Å; L139-M236 HydrophobicContact CD1-CG 4.37Å; L139-M236 WeakPolarHBondContact CG-O 3.29Å; L139-M236 PolarHBondContact N-O 3.42Å
140	P	97.5	Very high	97.9	Very high	89 Å²	89	52.2 Å²	52.2	58%	0.578	27%	0.269	S	S	*	.	P	Polyproline II helix	trans	-56.3	139.1	165.3	-22.6	33.4	0	0	0	110.5	E142 L143 A144	P140-E142 PolarHBondContact O-N 3.09Å; P140-E142 VanDerWaalsContact O-N 3.09Å; P140-L143 WeakPolarHBondContact O-CB 3.29Å; P140-L143 PolarHBondContact O-N 3.1Å; P140-A144 PolarHBondContact O-N 2.84Å
141	E	98.1	Very high	97.9	Very high	44 Å²	44	48.1 Å²	48.1	21%	0.206	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-28.4	-175.2	-71.7	-173	-137.8	0	0	113.9	L139 R145 V237 S261 W290	L139-E141 PolarHBondContact O-N 2.72Å; E141-R145 WeakPolarHBondContact O-CB 3.35Å; E141-R145 PolarHBondContact O-N 2.77Å; E141-V237 HydrophobicContact CG-CG1 4.33Å; E141-S261 WeakPolarHBondContact OE1-CB 3.36Å; E141-S261 PolarHBondContact OE1-N 3.24Å; E141-S261 PolarHBondContact OE1-OG 2.79Å; E141-S261 WeakPolarHBondContact OE2-CB 3.33Å; E141-S261 PolarHBondContact OE2-OG 2.77Å; E141-W290 HydrophobicContact CB-CZ2 4.12Å; E141-W290 HydrophobicContact CG-CZ2 4.44Å; E141-W290 PolarHBondContact OE2-NE1 2.73Å
142	E	97	Very high	97.9	Very high	100 Å²	100	44.7 Å²	44.7	47%	0.467	23%	0.233	S	C	.	.	H	α-helix	trans	-63.2	-45.2	173.3	-173.6	178.7	176.8	0	0	112	P140 S146	P140-E142 PolarHBondContact O-N 3.09Å; P140-E142 VanDerWaalsContact O-N 3.09Å; E142-S146 PolarHBondContact O-N 2.85Å; E142-S146 VanDerWaalsContact O-N 3.1Å
143	L	97.1	Very high	98	Very high	59 Å²	59	47.8 Å²	47.8	31%	0.309	25%	0.248	S	C	.	.	H	α-helix	trans	-68.8	-47	176.7	-176.8	60.8	0	0	0	110.8	F132 L139 P140 R145 S146 F147	F132-L143 HydrophobicContact CE1-CD2 4.08Å; F132-L143 HydrophobicContact CZ-CD2 4.24Å; L139-L143 HydrophobicContact CD2-CD2 4.37Å; P140-L143 WeakPolarHBondContact O-CB 3.29Å; P140-L143 PolarHBondContact O-N 3.1Å; L143-R145 VanDerWaalsContact C-N 3.27Å; L143-R145 PolarHBondContact O-N 3.37Å; L143-S146 WeakPolarHBondContact O-CB 3.45Å; L143-S146 PolarHBondContact O-N 2.73Å; L143-S146 VanDerWaalsContact O-N 3.12Å; L143-F147 HydrophobicContact CD1-CD1 4.12Å; L143-F147 HydrophobicContact CD1-CE1 3.66Å; L143-F147 HydrophobicContact CD1-CE2 4.13Å; L143-F147 HydrophobicContact CD1-CZ 3.67Å; L143-F147 HydrophobicContact CD2-CE2 4.35Å; L143-F147 HydrophobicContact CD2-CZ 4.46Å; L143-F147 HydrophobicContact CG-CD2 4.35Å; L143-F147 HydrophobicContact CG-CE1 4.44Å; L143-F147 HydrophobicContact CG-CE2 4.08Å; L143-F147 HydrophobicContact CG-CZ 4.13Å; L143-F147 PolarHBondContact O-N 2.91Å
144	A	98.4	Very high	98	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-57	-41	176.6	0	0	0	0	0	111.6	L139 P140 F147 F148 M236 V237 W290	L139-A144 HydrophobicContact CB-CB 4.28Å; P140-A144 PolarHBondContact O-N 2.84Å; A144-F147 PolarHBondContact O-N 3.21Å; A144-F148 WeakPolarHBondContact O-CB 3.44Å; A144-F148 PolarHBondContact O-N 2.82Å; A144-M236 HydrophobicContact CB-CB 4.06Å; A144-V237 HydrophobicContact CB-CG1 3.69Å; A144-W290 HydrophobicContact CB-CH2 4.34Å
145	R	98.3	Very high	98	Very high	16 Å²	16	43.4 Å²	43.4	6%	0.06	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-42.1	176.2	-174.5	-172.2	-56.4	108.1	13.5	112.4	E141 L143 R149 W290 M291 N293	E141-R145 WeakPolarHBondContact O-CB 3.35Å; E141-R145 PolarHBondContact O-N 2.77Å; L143-R145 VanDerWaalsContact C-N 3.27Å; L143-R145 PolarHBondContact O-N 3.37Å; R145-R149 WeakPolarHBondContact O-CB 3.32Å; R145-R149 PolarHBondContact O-N 2.8Å; R145-R149 PolarHBondContact O-NH1 3.48Å; R145-W290 VanDerWaalsContact CA-CH2 3.45Å; R145-W290 HydrophobicContact CB-CH2 3.63Å; R145-W290 HydrophobicContact CB-CZ2 3.92Å; R145-W290 HydrophobicContact CB-CZ3 4Å; R145-W290 VanDerWaalsContact CD-O 3.28Å; R145-W290 WeakPolarHBondContact CD-O 3.35Å; R145-W290 HydrophobicContact CG-CE3 4.38Å; R145-W290 HydrophobicContact CG-CH2 4.28Å; R145-W290 HydrophobicContact CG-CZ3 4.14Å; R145-W290 PolarHBondContact NE-O 2.68Å; R145-W290 VanDerWaalsContact NH2-NE1 3.2Å; R145-M291 HydrophobicContact CG-SD 4.1Å; R145-N293 PolarHBondContact NH1-O 3.47Å
146	S	97.8	Very high	98.1	Very high	50 Å²	50	42.7 Å²	42.7	35%	0.35	21%	0.214	S	C	.	.	H	α-helix	trans	-60.3	-48.6	175.5	-174.4	0	0	0	0	111	E142 L143 R149 Q150	E142-S146 PolarHBondContact O-N 2.85Å; E142-S146 VanDerWaalsContact O-N 3.1Å; L143-S146 WeakPolarHBondContact O-CB 3.45Å; L143-S146 PolarHBondContact O-N 2.73Å; L143-S146 VanDerWaalsContact O-N 3.12Å; S146-R149 PolarHBondContact O-N 2.85Å; S146-Q150 PolarHBondContact O-N 2.91Å
147	F	98.6	Very high	98.2	Very high	11 Å²	11	37.2 Å²	37.2	5%	0.048	19%	0.191	C	C	.	.	H	α-helix	trans	-64	-51.2	178.5	-76.1	0.5	0	0	0	112.2	L129 F132 L139 L143 A144 R149 Q150 V151 I175 M182 M236	L129-F147 HydrophobicContact CD1-CD2 3.99Å; L129-F147 HydrophobicContact CD1-CE2 4.18Å; F132-F147 HydrophobicContact CD1-CE2 4.24Å; F132-F147 AromaticContact CE1-CE2 3.89Å; F132-F147 HydrophobicContact CE1-CE2 3.89Å; F132-F147 HydrophobicContact CE1-CZ 4.39Å; F132-F147 HydrophobicContact CZ-CE2 4.36Å; F132-F147 HydrophobicContact CZ-CZ 4.41Å; L139-F147 HydrophobicContact CD1-CD2 3.93Å; L139-F147 HydrophobicContact CD1-CE2 4.19Å; L143-F147 HydrophobicContact CD1-CD1 4.12Å; L143-F147 HydrophobicContact CD1-CE1 3.66Å; L143-F147 HydrophobicContact CD1-CE2 4.13Å; L143-F147 HydrophobicContact CD1-CZ 3.67Å; L143-F147 HydrophobicContact CD2-CE2 4.35Å; L143-F147 HydrophobicContact CD2-CZ 4.46Å; L143-F147 HydrophobicContact CG-CD2 4.35Å; L143-F147 HydrophobicContact CG-CE1 4.44Å; L143-F147 HydrophobicContact CG-CE2 4.08Å; L143-F147 HydrophobicContact CG-CZ 4.13Å; L143-F147 PolarHBondContact O-N 2.91Å; A144-F147 PolarHBondContact O-N 3.21Å; F147-R149 PolarHBondContact O-N 2.83Å; F147-Q150 PolarHBondContact O-N 3.31Å; F147-V151 WeakPolarHBondContact O-CG2 3.21Å; F147-V151 PolarHBondContact O-N 3Å; F147-I175 HydrophobicContact CE2-CD1 3.83Å; F147-I175 HydrophobicContact CZ-CD1 4.07Å; F147-I175 HydrophobicContact CZ-CG2 4.28Å; F147-M182 VanDerWaalsContact C-SD 3.57Å; F147-M182 WeakPolarHBondContact CA-SD 3.49Å; F147-M182 HydrophobicContact CB-CE 3.71Å; F147-M182 HydrophobicContact CB-SD 3.38Å; F147-M182 WeakPolarHBondContact CB-SD 3.4Å; F147-M182 HydrophobicContact CD1-CE 4.28Å; F147-M182 HydrophobicContact CD1-CG 4.25Å; F147-M182 HydrophobicContact CD1-SD 3.8Å; F147-M182 HydrophobicContact CD2-CE 3.88Å; F147-M182 HydrophobicContact CD2-SD 4.39Å; F147-M182 HydrophobicContact CG-CE 3.72Å; F147-M182 HydrophobicContact CG-SD 3.62Å; F147-M236 HydrophobicContact CB-CE 4.14Å; F147-M236 HydrophobicContact CB-SD 4.38Å
148	F	98.8	Very high	98.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-59.8	-34	-179.7	-165.9	-116.4	0	0	0	112.4	A144 V151 L152 L229 L233 M236 L267 I285 W290 M291	A144-F148 WeakPolarHBondContact O-CB 3.44Å; A144-F148 PolarHBondContact O-N 2.82Å; F148-V151 PolarHBondContact O-N 2.89Å; F148-L152 HydrophobicContact CD1-CD1 3.7Å; F148-L152 HydrophobicContact CD1-CG 4.24Å; F148-L152 HydrophobicContact CE1-CD1 3.71Å; F148-L152 HydrophobicContact CE1-CD2 4.28Å; F148-L152 HydrophobicContact CE1-CG 4.12Å; F148-L152 HydrophobicContact CG-CD1 4.48Å; F148-L152 HydrophobicContact CZ-CD1 4.47Å; F148-L152 HydrophobicContact CZ-CD2 4.29Å; F148-L152 HydrophobicContact CZ-CG 4.42Å; F148-L152 VanDerWaalsContact O-CG 3.23Å; F148-L152 WeakPolarHBondContact O-CG 3.12Å; F148-L152 PolarHBondContact O-N 3.4Å; F148-L229 HydrophobicContact CE2-CB 4.05Å; F148-L229 HydrophobicContact CE2-CD2 3.87Å; F148-L229 VanDerWaalsContact CE2-O 3.29Å; F148-L229 WeakPolarHBondContact CE2-O 3.32Å; F148-L229 HydrophobicContact CZ-CB 4Å; F148-L229 HydrophobicContact CZ-CD2 4.33Å; F148-L233 HydrophobicContact CB-CD1 4.32Å; F148-L233 HydrophobicContact CD1-CD1 4.27Å; F148-L233 HydrophobicContact CD1-CD2 4.21Å; F148-L233 HydrophobicContact CD2-CB 4.06Å; F148-L233 HydrophobicContact CD2-CD1 4.3Å; F148-L233 HydrophobicContact CE1-CB 4.47Å; F148-L233 HydrophobicContact CE1-CD2 3.92Å; F148-L233 HydrophobicContact CE2-CB 3.77Å; F148-L233 HydrophobicContact CG-CD1 4.06Å; F148-L233 HydrophobicContact CZ-CB 3.98Å; F148-L233 HydrophobicContact CZ-CD2 4.17Å; F148-M236 HydrophobicContact CB-SD 4.18Å; F148-M236 HydrophobicContact CD2-SD 4.41Å; F148-L267 HydrophobicContact CE1-CD2 4.43Å; F148-I285 HydrophobicContact CE1-CG2 3.78Å; F148-I285 HydrophobicContact CZ-CG2 4.47Å; F148-W290 HydrophobicContact CD1-CZ3 4.24Å; F148-M291 HydrophobicContact CD1-CE 4.28Å; F148-M291 HydrophobicContact CD1-SD 3.82Å
149	R	98.6	Very high	98.3	Very high	84 Å²	84	36.5 Å²	36.5	32%	0.317	18%	0.178	S	C	.	.	H	α-helix	trans	-60.9	-47.5	172.8	-171.7	177.7	-64.5	98	-3.6	112.2	R145 S146 F147 V151 L152 E153 M291	R145-R149 WeakPolarHBondContact O-CB 3.32Å; R145-R149 PolarHBondContact O-N 2.8Å; R145-R149 PolarHBondContact O-NH1 3.48Å; S146-R149 PolarHBondContact O-N 2.85Å; F147-R149 PolarHBondContact O-N 2.83Å; R149-V151 VanDerWaalsContact C-N 3.32Å; R149-V151 PolarHBondContact O-N 2.87Å; R149-L152 PolarHBondContact O-N 3.31Å; R149-E153 WeakPolarHBondContact O-CG 3.3Å; R149-E153 PolarHBondContact O-N 3.3Å; R149-M291 HydrophobicContact CB-CE 3.71Å; R149-M291 HydrophobicContact CG-CE 4.21Å; R149-M291 PolarHBondContact NH2-O 2.73Å
150	Q	98.7	Very high	98.3	Very high	44 Å²	44	40.7 Å²	40.7	21%	0.206	21%	0.208	C	C	.	.	H	α-helix	trans	-63.5	-39	178.1	-65.2	-174.8	58.4	0	0	111.7	S146 F147 E153 A154 G180 M182	S146-Q150 PolarHBondContact O-N 2.91Å; F147-Q150 PolarHBondContact O-N 3.31Å; Q150-E153 PolarHBondContact O-N 2.66Å; Q150-A154 PolarHBondContact O-N 3.39Å; Q150-G180 PolarHBondContact NE2-O 3.16Å; Q150-M182 HydrophobicContact CB-CB 4.12Å; Q150-M182 HydrophobicContact CB-CG 4.23Å; Q150-M182 HydrophobicContact CB-SD 4.16Å
151	V	98.8	Very high	98.3	Very high	6 Å²	6	37.8 Å²	37.8	4%	0.036	19%	0.19	C	C	.	.	H	α-helix	trans	-62.4	-45.1	174.4	177.6	0	0	0	0	111	F147 F148 R149 E153 A154 V155 I168 I173 M182 L229 L232 M236	F147-V151 WeakPolarHBondContact O-CG2 3.21Å; F147-V151 PolarHBondContact O-N 3Å; F148-V151 PolarHBondContact O-N 2.89Å; R149-V151 VanDerWaalsContact C-N 3.32Å; R149-V151 PolarHBondContact O-N 2.87Å; V151-E153 VanDerWaalsContact C-N 3.32Å; V151-E153 PolarHBondContact O-N 3.41Å; V151-A154 PolarHBondContact O-N 3.17Å; V151-V155 HydrophobicContact CG1-CG2 4.35Å; V151-V155 WeakPolarHBondContact O-CG2 3.44Å; V151-V155 PolarHBondContact O-N 2.98Å; V151-I168 HydrophobicContact CG1-CG2 4.46Å; V151-I173 HydrophobicContact CG1-CD1 4.25Å; V151-I173 HydrophobicContact CG2-CD1 3.79Å; V151-I173 HydrophobicContact CG2-CG2 4.39Å; V151-M182 HydrophobicContact CG2-CE 4.24Å; V151-M182 HydrophobicContact CG2-SD 3.94Å; V151-L229 HydrophobicContact CG1-CD2 3.79Å; V151-L232 HydrophobicContact CG1-CD2 3.93Å; V151-L232 HydrophobicContact CG2-CD2 4.46Å; V151-M236 HydrophobicContact CG2-CE 4.37Å
152	L	98.7	Very high	98.4	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.5	-41.6	177	-71.7	165.2	0	0	0	112	F148 R149 V155 R156 L229 L282 I285 I286 M291	F148-L152 HydrophobicContact CD1-CD1 3.7Å; F148-L152 HydrophobicContact CD1-CG 4.24Å; F148-L152 HydrophobicContact CE1-CD1 3.71Å; F148-L152 HydrophobicContact CE1-CD2 4.28Å; F148-L152 HydrophobicContact CE1-CG 4.12Å; F148-L152 HydrophobicContact CG-CD1 4.48Å; F148-L152 HydrophobicContact CZ-CD1 4.47Å; F148-L152 HydrophobicContact CZ-CD2 4.29Å; F148-L152 HydrophobicContact CZ-CG 4.42Å; F148-L152 VanDerWaalsContact O-CG 3.23Å; F148-L152 WeakPolarHBondContact O-CG 3.12Å; F148-L152 PolarHBondContact O-N 3.4Å; R149-L152 PolarHBondContact O-N 3.31Å; L152-V155 PolarHBondContact O-N 3.3Å; L152-R156 WeakPolarHBondContact O-CB 3.32Å; L152-R156 VanDerWaalsContact O-CG 3.31Å; L152-R156 WeakPolarHBondContact O-CG 3.23Å; L152-R156 PolarHBondContact O-N 2.75Å; L152-L229 HydrophobicContact CD2-CD1 3.81Å; L152-L229 HydrophobicContact CD2-CD2 4.35Å; L152-L282 HydrophobicContact CD2-CD2 4.09Å; L152-I285 HydrophobicContact CD1-CG2 3.56Å; L152-I285 HydrophobicContact CD2-CB 4.45Å; L152-I285 HydrophobicContact CD2-CD1 4.32Å; L152-I285 HydrophobicContact CD2-CG2 3.84Å; L152-I285 HydrophobicContact CG-CG2 4.35Å; L152-I286 HydrophobicContact CB-CG1 4.46Å; L152-I286 HydrophobicContact CD1-CG1 4.11Å; L152-M291 HydrophobicContact CD1-CE 3.73Å; L152-M291 HydrophobicContact CD1-SD 4.49Å
153	E	98.5	Very high	98.4	Very high	94 Å²	94	32.1 Å²	32.1	44%	0.439	17%	0.169	S	C	.	.	H	α-helix	trans	-61.8	-42.7	174.9	-71.7	170.6	-170.7	0	0	111.5	F100 R149 Q150 V151 R156 H157	F100-E153 HydrophobicContact CE2-CB 4.29Å; F100-E153 HydrophobicContact CZ-CB 4.06Å; R149-E153 WeakPolarHBondContact O-CG 3.3Å; R149-E153 PolarHBondContact O-N 3.3Å; Q150-E153 PolarHBondContact O-N 2.66Å; V151-E153 VanDerWaalsContact C-N 3.32Å; V151-E153 PolarHBondContact O-N 3.41Å; E153-R156 PolarHBondContact O-N 3.19Å; E153-H157 WeakPolarHBondContact O-CB 3.31Å; E153-H157 PolarHBondContact O-N 3.05Å
154	A	98.7	Very high	98.5	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.033	16%	0.155	C	C	.	.	H	α-helix	trans	-63.7	-43.4	176.2	0	0	0	0	0	112.8	F100 G102 V103 Q150 V151 H157 C158 L184	F100-A154 VanDerWaalsContact CE1-CA 3.41Å; F100-A154 HydrophobicContact CE1-CB 3.78Å; F100-A154 HydrophobicContact CZ-CB 4.15Å; G102-A154 VanDerWaalsContact O-CB 3.29Å; G102-A154 WeakPolarHBondContact O-CB 2.95Å; V103-A154 HydrophobicContact CG2-CB 4.32Å; Q150-A154 PolarHBondContact O-N 3.39Å; V151-A154 PolarHBondContact O-N 3.17Å; A154-H157 WeakPolarHBondContact O-CB 3.43Å; A154-H157 PolarHBondContact O-N 3.39Å; A154-C158 PolarHBondContact O-N 3.34Å; A154-C158 PolarHBondContact O-SG 3.42Å; A154-C158 VanDerWaalsContact O-SG 3.33Å; A154-L184 HydrophobicContact CB-CB 4.42Å
155	V	98.7	Very high	98.4	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.012	16%	0.155	C	C	.	.	H	α-helix	trans	-65.6	-41.5	176.6	173.1	0	0	0	0	111.4	V151 L152 H157 C158 H159 I168 T225 L229 L282	V151-V155 HydrophobicContact CG1-CG2 4.35Å; V151-V155 WeakPolarHBondContact O-CG2 3.44Å; V151-V155 PolarHBondContact O-N 2.98Å; L152-V155 PolarHBondContact O-N 3.3Å; V155-H157 VanDerWaalsContact C-N 3.31Å; V155-H157 PolarHBondContact O-N 3.02Å; V155-C158 PolarHBondContact O-N 2.73Å; V155-H159 PolarHBondContact O-N 3.43Å; V155-I168 HydrophobicContact CG1-CD1 4.32Å; V155-I168 HydrophobicContact CG2-CD1 3.51Å; V155-I168 HydrophobicContact CG2-CG1 4.31Å; V155-T225 HydrophobicContact CG1-CG2 3.46Å; V155-T225 VanDerWaalsContact CG1-CG2 3.46Å; V155-L229 HydrophobicContact CG2-CD2 4.41Å; V155-L282 HydrophobicContact CG1-CD1 3.93Å; V155-L282 HydrophobicContact CG1-CD2 4.35Å
156	R	98.4	Very high	98.4	Very high	106 Å²	106	30.1 Å²	30.1	40%	0.4	16%	0.158	S	C	.	.	H	α-helix	trans	-59.2	-43.3	174.1	-80.1	179.7	62.5	149.5	7.6	111.6	L152 E153 H159 S160 L282 E283 I286	L152-R156 WeakPolarHBondContact O-CB 3.32Å; L152-R156 VanDerWaalsContact O-CG 3.31Å; L152-R156 WeakPolarHBondContact O-CG 3.23Å; L152-R156 PolarHBondContact O-N 2.75Å; E153-R156 PolarHBondContact O-N 3.19Å; R156-H159 PolarHBondContact O-N 3.37Å; R156-S160 WeakPolarHBondContact O-CB 3.36Å; R156-S160 PolarHBondContact O-N 3.22Å; R156-L282 HydrophobicContact CG-CB 4.16Å; R156-L282 HydrophobicContact CG-CD1 3.72Å; R156-E283 IonicContact CZ-OE2 3.53Å; R156-E283 IonicContact NH1-OE2 2.75Å; R156-E283 PolarHBondContact NH1-OE2 2.92Å; R156-E283 IonicContact NH2-OE2 3.63Å; R156-I286 VanDerWaalsContact CD-CD1 3.42Å
157	H	98.6	Very high	98.3	Very high	24 Å²	24	27.9 Å²	27.9	11%	0.111	14%	0.142	C	C	.	.	H	α-helix	trans	-61.4	-47.9	175.1	175.9	70.8	0	0	0	111.8	V96 F100 E153 A154 V155 H159 S160 C161	V96-H157 PolarHBondContact O-NE2 3.17Å; F100-H157 HydrophobicContact CB-CB 4.47Å; F100-H157 WeakPolarHBondContact CB-CE1 3.37Å; F100-H157 WeakPolarHBondContact CB-ND1 3.3Å; F100-H157 WeakPolarHBondContact CB-NE2 3.36Å; F100-H157 HydrophobicContact CD1-CB 3.78Å; F100-H157 AromaticContact CD1-CD2 3.48Å; F100-H157 VanDerWaalsContact CD1-CD2 3.48Å; F100-H157 WeakPolarHBondContact CD1-CD2 3.19Å; F100-H157 AromaticContact CD1-CG 3.57Å; F100-H157 HydrophobicContact CD2-CB 4.12Å; F100-H157 HydrophobicContact CE1-CB 3.99Å; F100-H157 HydrophobicContact CE2-CB 4.32Å; F100-H157 HydrophobicContact CG-CB 3.85Å; F100-H157 AromaticContact CG-CD2 3.72Å; F100-H157 AromaticContact CG-CG 3.48Å; F100-H157 VanDerWaalsContact CG-CG 3.48Å; F100-H157 AromaticContact CG-ND1 3.78Å; F100-H157 HydrophobicContact CZ-CB 4.27Å; E153-H157 WeakPolarHBondContact O-CB 3.31Å; E153-H157 PolarHBondContact O-N 3.05Å; A154-H157 WeakPolarHBondContact O-CB 3.43Å; A154-H157 PolarHBondContact O-N 3.39Å; V155-H157 VanDerWaalsContact C-N 3.31Å; V155-H157 PolarHBondContact O-N 3.02Å; H157-H159 VanDerWaalsContact C-N 3.32Å; H157-H159 PolarHBondContact O-N 3.39Å; H157-S160 PolarHBondContact O-N 3.46Å; H157-S160 PolarHBondContact O-OG 3.42Å; H157-C161 VanDerWaalsContact CE1-SG 3.56Å; H157-C161 PolarHBondContact O-N 3.37Å; H157-C161 PolarHBondContact O-SG 3.47Å; H157-C161 VanDerWaalsContact O-SG 3.39Å
158	C	98.7	Very high	98.3	Very high	1 Å²	1	27.5 Å²	27.5	1%	0.007	14%	0.14	C	C	.	.	H	α-helix	trans	-55.4	-48.3	175	-69.5	0	0	0	0	111.8	V96 A154 V155 S160 C161 G162 V163	V96-C158 HydrophobicContact CG1-CB 4.41Å; A154-C158 PolarHBondContact O-N 3.34Å; A154-C158 PolarHBondContact O-SG 3.42Å; A154-C158 VanDerWaalsContact O-SG 3.33Å; V155-C158 PolarHBondContact O-N 2.73Å; C158-S160 PolarHBondContact O-N 3.04Å; C158-C161 CarbonylContact O-C 3.57Å; C158-C161 PolarHBondContact O-N 2.92Å; C158-G162 PolarHBondContact O-N 3.25Å; C158-V163 CarbonylContact C-O 3.37Å; C158-V163 WeakPolarHBondContact O-CA 3.32Å; C158-V163 WeakPolarHBondContact O-CB 3.45Å; C158-V163 PolarHBondContact O-N 3.21Å
159	H	98.4	Very high	98.2	Very high	24 Å²	24	28.2 Å²	28.2	11%	0.111	14%	0.144	C	C	.	.	H	α-helix	trans	-63.3	-39.6	179.1	-74	-175.2	0	0	0	112.6	V155 R156 H157 C161 G162 V163 L193	V155-H159 PolarHBondContact O-N 3.43Å; R156-H159 PolarHBondContact O-N 3.37Å; H157-H159 VanDerWaalsContact C-N 3.32Å; H157-H159 PolarHBondContact O-N 3.39Å; H159-C161 VanDerWaalsContact C-N 3.27Å; H159-C161 PolarHBondContact O-N 2.89Å; H159-G162 PolarHBondContact O-N 3.2Å; H159-V163 PolarHBondContact CD2-O 3.33Å; H159-V163 PolarHBondContact N-O 2.73Å; H159-L193 HydrophobicContact CB-CD2 4.09Å
160	S	98.1	Very high	98.2	Very high	96 Å²	96	24.7 Å²	24.7	67%	0.671	13%	0.131	S	C	*	.	H	α-helix	trans	-67.5	-29.2	177.6	75.1	0	0	0	0	112.3	R156 H157 C158 G162	R156-S160 WeakPolarHBondContact O-CB 3.36Å; R156-S160 PolarHBondContact O-N 3.22Å; H157-S160 PolarHBondContact O-N 3.46Å; H157-S160 PolarHBondContact O-OG 3.42Å; C158-S160 PolarHBondContact O-N 3.04Å; S160-G162 PolarHBondContact O-N 3.41Å
161	C	98.4	Very high	98.1	Very high	29 Å²	29	26.9 Å²	26.9	20%	0.196	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-1.4	170.3	-67.5	0	0	0	0	113.6	K95 V96 H157 C158 H159	K95-C161 WeakPolarHBondContact CE-O 3.46Å; K95-C161 PolarHBondContact NZ-O 2.83Å; K95-C161 PolarHBondContact O-SG 2.83Å; K95-C161 VanDerWaalsContact O-SG 3.37Å; V96-C161 HydrophobicContact CG1-CB 4.04Å; H157-C161 VanDerWaalsContact CE1-SG 3.56Å; H157-C161 PolarHBondContact O-N 3.37Å; H157-C161 PolarHBondContact O-SG 3.47Å; H157-C161 VanDerWaalsContact O-SG 3.39Å; C158-C161 CarbonylContact O-C 3.57Å; C158-C161 PolarHBondContact O-N 2.92Å; H159-C161 VanDerWaalsContact C-N 3.27Å; H159-C161 PolarHBondContact O-N 2.89Å
162	G	98.3	Very high	98.1	Very high	24 Å²	24	27.1 Å²	27.1	25%	0.247	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	32.9	-177	0	0	0	0	0	113.2	C158 H159 S160 L193	C158-G162 PolarHBondContact O-N 3.25Å; H159-G162 PolarHBondContact O-N 3.2Å; S160-G162 PolarHBondContact O-N 3.41Å; G162-L193 PolarHBondContact O-N 2.92Å
163	V	98.6	Very high	98.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137	178.9	175.9	0	0	0	0	109.7	L92 K95 V96 C158 H159 F187	L92-V163 HydrophobicContact CB-CG1 4.14Å; L92-V163 HydrophobicContact CD1-CG1 4.46Å; L92-V163 HydrophobicContact CD2-CG1 4.14Å; L92-V163 HydrophobicContact CD2-CG2 4.05Å; L92-V163 HydrophobicContact CG-CG1 4.46Å; K95-V163 HydrophobicContact CB-CG2 3.91Å; K95-V163 HydrophobicContact CD-CG2 4.16Å; V96-V163 HydrophobicContact CG1-CB 3.93Å; V96-V163 HydrophobicContact CG1-CG1 4.21Å; V96-V163 HydrophobicContact CG1-CG2 3.85Å; C158-V163 CarbonylContact C-O 3.37Å; C158-V163 WeakPolarHBondContact O-CA 3.32Å; C158-V163 WeakPolarHBondContact O-CB 3.45Å; C158-V163 PolarHBondContact O-N 3.21Å; H159-V163 PolarHBondContact CD2-O 3.33Å; H159-V163 PolarHBondContact N-O 2.73Å; V163-F187 HydrophobicContact CG1-CD1 3.86Å; V163-F187 HydrophobicContact CG1-CE1 3.81Å
164	V	98.1	Very high	98.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	130	167.9	60.1	0	0	0	0	109.1	R166 G190 A191 L193 Y198	V164-R166 HydrophobicContact CB-CG 4.48Å; V164-R166 HydrophobicContact CG1-CG 3.98Å; V164-R166 HydrophobicContact CG2-CG 3.92Å; V164-G190 CarbonylContact O-C 3.47Å; V164-G190 VanDerWaalsContact O-CA 3.29Å; V164-G190 WeakPolarHBondContact O-CA 3.39Å; V164-A191 HydrophobicContact CG1-CB 3.9Å; V164-A191 WeakPolarHBondContact CG1-O 3.39Å; V164-A191 PolarHBondContact N-O 3.28Å; V164-A191 PolarHBondContact O-N 3.48Å; V164-L193 HydrophobicContact CB-CD1 4.09Å; V164-Y198 HydrophobicContact CG1-CE1 4.38Å; V164-Y198 WeakPolarHBondContact CG1-OH 3.4Å
165	H	97.8	Very high	98.1	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.014	13%	0.128	C	C	.	.			trans	-74.6	-39.8	-174.2	-165.9	-88.8	0	0	0	113.3	D167 I168 L184 I185 D186 F187 G190	H165-D167 PolarHBondContact CE1-O 2.82Å; H165-D167 VanDerWaalsContact ND1-C 3.31Å; H165-D167 PolarHBondContact ND1-N 2.8Å; H165-D167 PolarHBondContact ND1-O 3.33Å; H165-D167 PolarHBondContact O-N 3.46Å; H165-I168 HydrophobicContact CB-CD1 4.34Å; H165-I168 HydrophobicContact CB-CG1 4Å; H165-L184 HydrophobicContact CB-CD2 4.41Å; H165-L184 VanDerWaalsContact CD2-CD2 3.45Å; H165-L184 WeakPolarHBondContact CD2-CD2 3.26Å; H165-I185 PolarHBondContact CE1-O 2.91Å; H165-I185 VanDerWaalsContact CE1-O 3.3Å; H165-I185 PolarHBondContact NE2-O 3.32Å; H165-D186 PolarHBondContact CE1-O 3.14Å; H165-D186 PolarHBondContact NE2-O 3.45Å; H165-D186 VanDerWaalsContact NE2-O 3.09Å; H165-F187 AromaticContact CD2-CD1 3.82Å; H165-F187 AromaticContact CD2-CE1 3.65Å; H165-F187 AromaticContact CD2-CE2 3.92Å; H165-F187 AromaticContact CD2-CZ 3.7Å; H165-G190 WeakPolarHBondContact O-CA 3.34Å; H165-G190 PolarHBondContact O-N 3.45Å
166	R	96.6	Very high	97.9	Very high	30 Å²	30	24.5 Å²	24.5	11%	0.113	13%	0.131	C	C	.	.	S	Bend	trans	62.5	-8.6	-178.8	-54.9	-163.9	-70	178	0.3	117.5	V164 S189 G190 D200 F201 Y219	V164-R166 HydrophobicContact CB-CG 4.48Å; V164-R166 HydrophobicContact CG1-CG 3.98Å; V164-R166 HydrophobicContact CG2-CG 3.92Å; R166-S189 PolarHBondContact NE-O 3.07Å; R166-S189 PolarHBondContact NH2-O 3.12Å; R166-G190 PolarHBondContact NH2-O 3.35Å; R166-D200 IonicContact CZ-OD2 3.33Å; R166-D200 PolarHBondContact NH1-O 2.89Å; R166-D200 IonicContact NH1-OD2 3.31Å; R166-D200 PolarHBondContact NH1-OD2 2.91Å; R166-D200 IonicContact NH2-OD2 3.57Å; R166-F201 HydrophobicContact CB-CE2 4.5Å; R166-Y219 WeakPolarHBondContact CD-OH 3.5Å; R166-Y219 PolarHBondContact NH1-OH 3.05Å; R166-Y219 VanDerWaalsContact NH1-OH 3.11Å
167	D	96.4	Very high	97.8	Very high	3 Å²	3	23.6 Å²	23.6	2%	0.016	13%	0.133	C	C	.	.			trans	-134.3	54.8	176.1	-161.1	39.3	0	0	0	112.1	H165 K169 N172 T205	H165-D167 PolarHBondContact CE1-O 2.82Å; H165-D167 VanDerWaalsContact ND1-C 3.31Å; H165-D167 PolarHBondContact ND1-N 2.8Å; H165-D167 PolarHBondContact ND1-O 3.33Å; H165-D167 PolarHBondContact O-N 3.46Å; D167-K169 PolarHBondContact O-N 3.1Å; D167-K169 VanDerWaalsContact OD2-CE 3.31Å; D167-K169 WeakPolarHBondContact OD2-CE 3.33Å; D167-K169 IonicContact OD2-NZ 2.73Å; D167-N172 PolarHBondContact O-ND2 2.96Å; D167-N172 PolarHBondContact OD2-ND2 2.97Å; D167-T205 VanDerWaalsContact OD1-CB 3.23Å; D167-T205 WeakPolarHBondContact OD1-CB 3.37Å; D167-T205 PolarHBondContact OD1-N 3.39Å; D167-T205 PolarHBondContact OD1-OG1 3.11Å
168	I	98.3	Very high	97.5	Very high	2 Å²	2	30 Å²	30	1%	0.01	16%	0.156	C	C	.	.			trans	-79	115.8	176.3	-66.4	158.2	0	0	0	108.3	V151 V155 H165 Y208 T225 L229 L232	V151-I168 HydrophobicContact CG1-CG2 4.46Å; V155-I168 HydrophobicContact CG1-CD1 4.32Å; V155-I168 HydrophobicContact CG2-CD1 3.51Å; V155-I168 HydrophobicContact CG2-CG1 4.31Å; H165-I168 HydrophobicContact CB-CD1 4.34Å; H165-I168 HydrophobicContact CB-CG1 4Å; I168-Y208 VanDerWaalsContact O-CD1 3.26Å; I168-Y208 WeakPolarHBondContact O-CD1 3.38Å; I168-T225 HydrophobicContact CD1-CG2 3.69Å; I168-L229 HydrophobicContact CG2-CD2 4.18Å; I168-L232 HydrophobicContact CG2-CD2 3.96Å
169	K	97.9	Very high	97.3	Very high	16 Å²	16	33.5 Å²	33.5	7%	0.07	18%	0.178	C	C	.	.	S	Bend	trans	-158.5	166.1	178.5	56.4	176.6	-179.1	168.6	0	109.4	D167 E171 N172 I173 T205 Y208	D167-K169 PolarHBondContact O-N 3.1Å; D167-K169 VanDerWaalsContact OD2-CE 3.31Å; D167-K169 WeakPolarHBondContact OD2-CE 3.33Å; D167-K169 IonicContact OD2-NZ 2.73Å; K169-E171 VanDerWaalsContact C-N 3.35Å; K169-E171 HydrophobicContact CD-CB 4.13Å; K169-E171 HydrophobicContact CD-CG 4.46Å; K169-E171 WeakPolarHBondContact CD-OE1 3.49Å; K169-E171 WeakPolarHBondContact CE-OE1 3.37Å; K169-E171 HydrophobicContact CG-CB 4.27Å; K169-E171 VanDerWaalsContact NZ-CD 3.34Å; K169-E171 IonicContact NZ-OE1 3.58Å; K169-E171 PolarHBondContact NZ-OE1 2.91Å; K169-E171 IonicContact NZ-OE2 3.35Å; K169-E171 PolarHBondContact O-N 3.22Å; K169-N172 WeakPolarHBondContact CE-ND2 3.3Å; K169-N172 HydrophobicContact CG-CB 4.14Å; K169-N172 PolarHBondContact O-N 3.41Å; K169-N172 VanDerWaalsContact O-N 3.1Å; K169-I173 WeakPolarHBondContact O-CD1 3.47Å; K169-I173 WeakPolarHBondContact O-CG1 3.42Å; K169-T205 HydrophobicContact CD-CG2 4.2Å; K169-T205 VanDerWaalsContact CD-OG1 3.3Å; K169-T205 WeakPolarHBondContact CD-OG1 3.48Å; K169-T205 WeakPolarHBondContact CE-OG1 3.48Å; K169-T205 PolarHBondContact NZ-OG1 3.42Å; K169-Y208 HydrophobicContact CB-CD1 4.05Å; K169-Y208 HydrophobicContact CB-CD2 3.91Å; K169-Y208 HydrophobicContact CB-CE1 3.71Å; K169-Y208 HydrophobicContact CB-CE2 3.56Å; K169-Y208 HydrophobicContact CB-CG 4.14Å; K169-Y208 VanDerWaalsContact CB-CZ 3.45Å; K169-Y208 HydrophobicContact CD-CE2 4.48Å
170	D	98.3	Very high	97.1	Very high	10 Å²	10	33.7 Å²	33.7	5%	0.053	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-56.4	-41.4	178	57.2	-25.1	0	0	0	113.8	L129 F130 N172 I173 Y208 L232	L129-D170 HydrophobicContact CB-CB 4.05Å; L129-D170 WeakPolarHBondContact CB-O 3.46Å; L129-D170 HydrophobicContact CD2-CB 3.97Å; L129-D170 HydrophobicContact CG-CB 3.92Å; L129-D170 PolarHBondContact N-O 3.34Å; F130-D170 WeakPolarHBondContact CA-OD2 3.32Å; F130-D170 HydrophobicContact CB-CB 4.33Å; F130-D170 WeakPolarHBondContact CB-OD2 3.42Å; F130-D170 VanDerWaalsContact CD2-OD2 3.25Å; F130-D170 WeakPolarHBondContact CD2-OD2 3.49Å; D170-N172 PolarHBondContact O-N 3.3Å; D170-N172 VanDerWaalsContact O-N 3.16Å; D170-I173 PolarHBondContact O-N 2.89Å; D170-I173 VanDerWaalsContact O-N 3.14Å; D170-Y208 PolarHBondContact OD1-OH 3.37Å; D170-L232 HydrophobicContact CB-CD1 4.03Å
171	E	97.1	Very high	97	Very high	89 Å²	89	32.5 Å²	32.5	42%	0.416	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-57.8	-29.8	174.7	-63.3	172.4	-93.2	0	0	113.2	F130 K169	F130-E171 HydrophobicContact CB-CG 3.95Å; F130-E171 HydrophobicContact CD2-CG 4.14Å; F130-E171 HydrophobicContact CG-CG 4.1Å; K169-E171 VanDerWaalsContact C-N 3.35Å; K169-E171 HydrophobicContact CD-CB 4.13Å; K169-E171 HydrophobicContact CD-CG 4.46Å; K169-E171 WeakPolarHBondContact CD-OE1 3.49Å; K169-E171 WeakPolarHBondContact CE-OE1 3.37Å; K169-E171 HydrophobicContact CG-CB 4.27Å; K169-E171 VanDerWaalsContact NZ-CD 3.34Å; K169-E171 IonicContact NZ-OE1 3.58Å; K169-E171 PolarHBondContact NZ-OE1 2.91Å; K169-E171 IonicContact NZ-OE2 3.35Å; K169-E171 PolarHBondContact O-N 3.22Å
172	N	97.8	Very high	97	Very high	11 Å²	11	31.4 Å²	31.4	6%	0.059	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-96.4	16.9	-177	-72.7	-20	0	0	0	113	D167 K169 D170 I185	D167-N172 PolarHBondContact O-ND2 2.96Å; D167-N172 PolarHBondContact OD2-ND2 2.97Å; K169-N172 WeakPolarHBondContact CE-ND2 3.3Å; K169-N172 HydrophobicContact CG-CB 4.14Å; K169-N172 PolarHBondContact O-N 3.41Å; K169-N172 VanDerWaalsContact O-N 3.1Å; D170-N172 PolarHBondContact O-N 3.3Å; D170-N172 VanDerWaalsContact O-N 3.16Å; N172-I185 VanDerWaalsContact C-CG1 3.43Å; N172-I185 HydrophobicContact CB-CG1 4.27Å; N172-I185 WeakPolarHBondContact O-CG1 3.37Å; N172-I185 PolarHBondContact O-N 2.85Å
173	I	98.6	Very high	97	Very high	3 Å²	3	31 Å²	31	2%	0.015	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	116.1	178.6	-60.7	161.3	0	0	0	109.2	D128 L129 V151 K169 D170 M182 L184 L232	D128-I173 CarbonylContact C-O 3.59Å; D128-I173 VanDerWaalsContact CA-O 3.3Å; D128-I173 WeakPolarHBondContact CA-O 3.42Å; L129-I173 HydrophobicContact CB-CB 4.21Å; L129-I173 HydrophobicContact CB-CG2 4.5Å; L129-I173 HydrophobicContact CD2-CD1 4.23Å; L129-I173 PolarHBondContact N-O 3.31Å; V151-I173 HydrophobicContact CG1-CD1 4.25Å; V151-I173 HydrophobicContact CG2-CD1 3.79Å; V151-I173 HydrophobicContact CG2-CG2 4.39Å; K169-I173 WeakPolarHBondContact O-CD1 3.47Å; K169-I173 WeakPolarHBondContact O-CG1 3.42Å; D170-I173 PolarHBondContact O-N 2.89Å; D170-I173 VanDerWaalsContact O-N 3.14Å; I173-M182 HydrophobicContact CG2-CB 4.15Å; I173-M182 HydrophobicContact CG2-CE 3.43Å; I173-M182 VanDerWaalsContact CG2-CE 3.43Å; I173-M182 HydrophobicContact CG2-SD 4.39Å; I173-L184 HydrophobicContact CG1-CD1 4.22Å; I173-L232 HydrophobicContact CD1-CD1 4.17Å; I173-L232 HydrophobicContact CD1-CD2 3.53Å
174	L	98.4	Very high	97	Very high	29 Å²	29	31.2 Å²	31.2	15%	0.152	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	146.5	173.8	-61.3	-176.5	0	0	0	111.2	I104 V126 D128 M182 K183 I185	I104-L174 HydrophobicContact CD1-CD1 4.43Å; V126-L174 HydrophobicContact CG2-CB 3.72Å; V126-L174 HydrophobicContact CG2-CD1 3.96Å; V126-L174 HydrophobicContact CG2-CD2 4.12Å; V126-L174 HydrophobicContact CG2-CG 4.15Å; D128-L174 HydrophobicContact CB-CD2 3.94Å; L174-M182 CarbonylContact O-C 3.42Å; L174-M182 WeakPolarHBondContact O-CA 3.36Å; L174-K183 HydrophobicContact CB-CB 4.39Å; L174-K183 PolarHBondContact N-O 3.3Å; L174-K183 PolarHBondContact O-N 2.64Å; L174-I185 HydrophobicContact CD1-CD1 4.48Å; L174-I185 HydrophobicContact CD1-CG2 3.56Å; L174-I185 HydrophobicContact CD2-CD1 4.08Å; L174-I185 HydrophobicContact CG-CD1 4.08Å; L174-I185 HydrophobicContact CG-CG1 4.39Å; L174-I185 HydrophobicContact CG-CG2 3.72Å
175	I	98.1	Very high	97	Very high	3 Å²	3	33 Å²	33	2%	0.015	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	118.8	172.6	-50.9	168.5	0	0	0	107.5	V126 K127 L129 F132 F147 L177 M182	V126-I175 WeakPolarHBondContact CA-O 3.45Å; K127-I175 PolarHBondContact N-O 2.81Å; K127-I175 VanDerWaalsContact N-O 3.16Å; K127-I175 PolarHBondContact O-N 2.96Å; L129-I175 HydrophobicContact CB-CD1 4.35Å; L129-I175 HydrophobicContact CD1-CD1 3.86Å; F132-I175 HydrophobicContact CB-CD1 3.75Å; F132-I175 HydrophobicContact CD1-CD1 4.09Å; F132-I175 HydrophobicContact CD2-CD1 3.88Å; F132-I175 HydrophobicContact CG-CD1 3.64Å; F147-I175 HydrophobicContact CE2-CD1 3.83Å; F147-I175 HydrophobicContact CZ-CD1 4.07Å; F147-I175 HydrophobicContact CZ-CG2 4.28Å; I175-L177 HydrophobicContact CB-CD2 4.43Å; I175-L177 HydrophobicContact CG2-CD2 4.09Å; I175-L177 PolarHBondContact O-N 2.89Å; I175-M182 HydrophobicContact CG1-CE 4.18Å
176	D	96.1	Very high	96.8	Very high	11 Å²	11	34.1 Å²	34.1	6%	0.059	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	106.8	163.8	-177.2	-28.7	0	0	0	108	P123 R178 T179 G180 E181	P123-D176 HydrophobicContact CB-CB 4.21Å; D176-R178 PolarHBondContact O-N 2.97Å; D176-R178 VanDerWaalsContact O-N 3.17Å; D176-R178 WeakPolarHBondContact OD1-CB 3.45Å; D176-R178 PolarHBondContact OD1-N 2.79Å; D176-T179 WeakPolarHBondContact CB-OG1 3.45Å; D176-T179 VanDerWaalsContact CG-OG1 3.32Å; D176-T179 PolarHBondContact O-N 3.45Å; D176-T179 PolarHBondContact OD1-N 3.1Å; D176-G180 WeakPolarHBondContact O-CA 3.32Å; D176-G180 PolarHBondContact O-N 3.14Å; D176-E181 PolarHBondContact N-O 3.48Å
177	L	94.8	Very high	96.8	Very high	86 Å²	86	32.8 Å²	32.8	45%	0.45	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-15.6	-174.1	-62.3	178.3	0	0	0	113.2	T125 K127 F132 I175	T125-L177 PolarHBondContact O-N 3.02Å; K127-L177 HydrophobicContact CB-CD1 4.18Å; K127-L177 HydrophobicContact CB-CD2 4.36Å; K127-L177 HydrophobicContact CB-CG 4.41Å; F132-L177 HydrophobicContact CD2-CD2 4.23Å; F132-L177 HydrophobicContact CE2-CD2 4.28Å; I175-L177 HydrophobicContact CB-CD2 4.43Å; I175-L177 HydrophobicContact CG2-CD2 4.09Å; I175-L177 PolarHBondContact O-N 2.89Å
178	R	93.5	Very high	96.7	Very high	158 Å²	158	33.5 Å²	33.5	60%	0.596	17%	0.174	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-38.4	177.5	178.3	176.7	59.4	-159.9	-6	111.5	E124 D176	E124-R178 IonicContact OE2-CZ 3.05Å; E124-R178 IonicContact OE2-NH1 2.65Å; E124-R178 PolarHBondContact OE2-NH1 3.28Å; E124-R178 IonicContact OE2-NH2 3.52Å; D176-R178 PolarHBondContact O-N 2.97Å; D176-R178 VanDerWaalsContact O-N 3.17Å; D176-R178 WeakPolarHBondContact OD1-CB 3.45Å; D176-R178 PolarHBondContact OD1-N 2.79Å
179	T	94	Very high	96.4	Very high	75 Å²	75	33.6 Å²	33.6	46%	0.46	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-22.2	-174.3	63.7	0	0	0	0	113.4	D176 E181	D176-T179 WeakPolarHBondContact CB-OG1 3.45Å; D176-T179 VanDerWaalsContact CG-OG1 3.32Å; D176-T179 PolarHBondContact O-N 3.45Å; D176-T179 PolarHBondContact OD1-N 3.1Å; T179-E181 PolarHBondContact O-N 3.37Å; T179-E181 WeakPolarHBondContact OG1-CB 3.16Å; T179-E181 WeakPolarHBondContact OG1-CG 3.38Å; T179-E181 PolarHBondContact OG1-N 3.47Å
180	G	93.8	Very high	96.3	Very high	29 Å²	29	32.9 Å²	32.9	30%	0.299	17%	0.172	S	C	.	.			trans	74	8.8	-169	0	0	0	0	0	113.8	Q150 D176	Q150-G180 PolarHBondContact NE2-O 3.16Å; D176-G180 WeakPolarHBondContact O-CA 3.32Å; D176-G180 PolarHBondContact O-N 3.14Å
181	E	96.6	Very high	96.2	Very high	70 Å²	70	32.8 Å²	32.8	33%	0.327	17%	0.172	S	C	.	.			trans	-73.9	135.4	176	-69.5	-174.5	156.3	0	0	110.6	D176 T179	D176-E181 PolarHBondContact N-O 3.48Å; T179-E181 PolarHBondContact O-N 3.37Å; T179-E181 WeakPolarHBondContact OG1-CB 3.16Å; T179-E181 WeakPolarHBondContact OG1-CG 3.38Å; T179-E181 PolarHBondContact OG1-N 3.47Å
182	M	98.2	Very high	96.3	Very high	6 Å²	6	32.9 Å²	32.9	3%	0.03	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	143.2	174.8	-57.3	-173.7	96.7	0	0	111.6	G102 L129 F147 Q150 V151 I173 L174 I175	G102-M182 VanDerWaalsContact CA-O 3.26Å; G102-M182 WeakPolarHBondContact CA-O 3.49Å; L129-M182 HydrophobicContact CD1-CE 4.28Å; L129-M182 HydrophobicContact CD2-CE 4.1Å; F147-M182 VanDerWaalsContact C-SD 3.57Å; F147-M182 WeakPolarHBondContact CA-SD 3.49Å; F147-M182 HydrophobicContact CB-CE 3.71Å; F147-M182 HydrophobicContact CB-SD 3.38Å; F147-M182 WeakPolarHBondContact CB-SD 3.4Å; F147-M182 HydrophobicContact CD1-CE 4.28Å; F147-M182 HydrophobicContact CD1-CG 4.25Å; F147-M182 HydrophobicContact CD1-SD 3.8Å; F147-M182 HydrophobicContact CD2-CE 3.88Å; F147-M182 HydrophobicContact CD2-SD 4.39Å; F147-M182 HydrophobicContact CG-CE 3.72Å; F147-M182 HydrophobicContact CG-SD 3.62Å; Q150-M182 HydrophobicContact CB-CB 4.12Å; Q150-M182 HydrophobicContact CB-CG 4.23Å; Q150-M182 HydrophobicContact CB-SD 4.16Å; V151-M182 HydrophobicContact CG2-CE 4.24Å; V151-M182 HydrophobicContact CG2-SD 3.94Å; I173-M182 HydrophobicContact CG2-CB 4.15Å; I173-M182 HydrophobicContact CG2-CE 3.43Å; I173-M182 VanDerWaalsContact CG2-CE 3.43Å; I173-M182 HydrophobicContact CG2-SD 4.39Å; L174-M182 CarbonylContact O-C 3.42Å; L174-M182 WeakPolarHBondContact O-CA 3.36Å; I175-M182 HydrophobicContact CG1-CE 4.18Å
183	K	98.4	Very high	96.3	Very high	15 Å²	15	33.8 Å²	33.8	7%	0.065	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	121	179.5	-69.5	177.3	172.2	-76.7	0	111.1	R101 G102 I104 E121 P123 L174	R101-K183 PolarHBondContact O-NZ 2.87Å; G102-K183 WeakPolarHBondContact O-CA 3.47Å; I104-K183 HydrophobicContact CD1-CB 4.48Å; I104-K183 HydrophobicContact CD1-CD 3.93Å; E121-K183 IonicContact OE1-NZ 2.87Å; E121-K183 PolarHBondContact OE1-NZ 3.46Å; E121-K183 IonicContact OE2-NZ 3.78Å; P123-K183 HydrophobicContact CG-CD 4.04Å; L174-K183 HydrophobicContact CB-CB 4.39Å; L174-K183 PolarHBondContact N-O 3.3Å; L174-K183 PolarHBondContact O-N 2.64Å
184	L	98.5	Very high	96.2	Very high	6 Å²	6	37.5 Å²	37.5	3%	0.031	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	132.9	171.3	-171.2	64.9	0	0	0	110.2	G102 V103 I104 A154 H165 I173 F187	G102-L184 PolarHBondContact O-N 2.78Å; V103-L184 HydrophobicContact CG2-CB 4.34Å; I104-L184 PolarHBondContact N-O 3.33Å; A154-L184 HydrophobicContact CB-CB 4.42Å; H165-L184 HydrophobicContact CB-CD2 4.41Å; H165-L184 VanDerWaalsContact CD2-CD2 3.45Å; H165-L184 WeakPolarHBondContact CD2-CD2 3.26Å; I173-L184 HydrophobicContact CG1-CD1 4.22Å; L184-F187 HydrophobicContact CD2-CZ 4.19Å
185	I	97.6	Very high	96.1	Very high	37 Å²	37	41.7 Å²	41.7	19%	0.19	22%	0.219	C	C	.	.			trans	-124.7	170.5	178.8	60.2	162.1	0	0	0	111.2	I104 H165 N172 L174	I104-I185 HydrophobicContact CB-CG2 3.74Å; I104-I185 HydrophobicContact CD1-CG2 4.42Å; I104-I185 HydrophobicContact CG1-CG2 4.13Å; I104-I185 HydrophobicContact CG2-CB 4.27Å; I104-I185 HydrophobicContact CG2-CG2 3.83Å; H165-I185 PolarHBondContact CE1-O 2.91Å; H165-I185 VanDerWaalsContact CE1-O 3.3Å; H165-I185 PolarHBondContact NE2-O 3.32Å; N172-I185 VanDerWaalsContact C-CG1 3.43Å; N172-I185 HydrophobicContact CB-CG1 4.27Å; N172-I185 WeakPolarHBondContact O-CG1 3.37Å; N172-I185 PolarHBondContact O-N 2.85Å; L174-I185 HydrophobicContact CD1-CD1 4.48Å; L174-I185 HydrophobicContact CD1-CG2 3.56Å; L174-I185 HydrophobicContact CD2-CD1 4.08Å; L174-I185 HydrophobicContact CG-CD1 4.08Å; L174-I185 HydrophobicContact CG-CG1 4.39Å; L174-I185 HydrophobicContact CG-CG2 3.72Å
186	D	94.6	Very high	96.1	Very high	28 Å²	28	45.8 Å²	45.8	15%	0.15	24%	0.244	C	C	.	.			trans	61.6	82.6	171.8	-153.9	-10.8	0	0	0	116.5	F49 K67 H165 G188	F49-D186 VanDerWaalsContact CD2-OD2 3.3Å; F49-D186 WeakPolarHBondContact CD2-OD2 3.3Å; K67-D186 IonicContact NZ-OD1 2.67Å; K67-D186 PolarHBondContact NZ-OD1 3.04Å; K67-D186 IonicContact NZ-OD2 3.42Å; H165-D186 PolarHBondContact CE1-O 3.14Å; H165-D186 PolarHBondContact NE2-O 3.45Å; H165-D186 VanDerWaalsContact NE2-O 3.09Å; D186-G188 PolarHBondContact O-N 3.41Å; D186-G188 PolarHBondContact OD1-N 3.23Å
187	F	95.8	Very high	96.1	Very high	1 Å²	1	47 Å²	47	0%	0.004	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-89.7	17	174.5	-71.4	-107.3	0	0	0	112.1	E89 L92 L93 V96 V103 V163 H165 L184 S189 G190	E89-F187 HydrophobicContact CG-CB 4.08Å; L92-F187 HydrophobicContact CB-CB 4.24Å; L92-F187 HydrophobicContact CB-CD1 4.15Å; L92-F187 HydrophobicContact CD1-CB 4.44Å; L93-F187 HydrophobicContact CD2-CB 4.49Å; L93-F187 HydrophobicContact CD2-CD2 3.53Å; L93-F187 HydrophobicContact CD2-CE2 4.03Å; L93-F187 HydrophobicContact CD2-CG 4.18Å; L93-F187 HydrophobicContact CG-CB 4.36Å; L93-F187 HydrophobicContact CG-CD2 4.29Å; L93-F187 HydrophobicContact CG-CG 4.48Å; V96-F187 HydrophobicContact CG1-CE1 4.22Å; V96-F187 HydrophobicContact CG2-CE1 4.12Å; V96-F187 HydrophobicContact CG2-CE2 4.38Å; V96-F187 HydrophobicContact CG2-CZ 3.89Å; V103-F187 HydrophobicContact CG1-CE2 3.59Å; V103-F187 HydrophobicContact CG1-CZ 3.6Å; V163-F187 HydrophobicContact CG1-CD1 3.86Å; V163-F187 HydrophobicContact CG1-CE1 3.81Å; H165-F187 AromaticContact CD2-CD1 3.82Å; H165-F187 AromaticContact CD2-CE1 3.65Å; H165-F187 AromaticContact CD2-CE2 3.92Å; H165-F187 AromaticContact CD2-CZ 3.7Å; L184-F187 HydrophobicContact CD2-CZ 4.19Å; F187-S189 PolarHBondContact O-N 3.43Å; F187-G190 PolarHBondContact O-N 3.48Å
188	G	93.5	Very high	96.2	Very high	19 Å²	19	43.1 Å²	43.1	20%	0.196	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-59.6	-33.2	-179.7	0	0	0	0	0	113.2	D186	D186-G188 PolarHBondContact O-N 3.41Å; D186-G188 PolarHBondContact OD1-N 3.23Å
189	S	93.6	Very high	96.2	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.021	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-92.1	-1.4	173.8	-63.6	0	0	0	0	113.7	F49 R166 F187 A203	F49-S189 WeakPolarHBondContact CE1-OG 3.26Å; F49-S189 WeakPolarHBondContact CZ-OG 3.27Å; R166-S189 PolarHBondContact NE-O 3.07Å; R166-S189 PolarHBondContact NH2-O 3.12Å; F187-S189 PolarHBondContact O-N 3.43Å; S189-A203 WeakPolarHBondContact OG-CB 3.49Å; S189-A203 PolarHBondContact OG-O 3.39Å
190	G	95.6	Very high	95.9	Very high	2 Å²	2	38.3 Å²	38.3	2%	0.021	22%	0.218	C	C	.	.			trans	-67.9	171	-173.3	0	0	0	0	0	113.9	V164 H165 R166 F187	V164-G190 CarbonylContact O-C 3.47Å; V164-G190 VanDerWaalsContact O-CA 3.29Å; V164-G190 WeakPolarHBondContact O-CA 3.39Å; H165-G190 WeakPolarHBondContact O-CA 3.34Å; H165-G190 PolarHBondContact O-N 3.45Å; R166-G190 PolarHBondContact NH2-O 3.35Å; F187-G190 PolarHBondContact O-N 3.48Å
191	A	96.4	Very high	94.8	Very high	8 Å²	8	38 Å²	38	7%	0.066	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	167.2	170.5	0	0	0	0	0	111.7	V164 L193 Y198	V164-A191 HydrophobicContact CG1-CB 3.9Å; V164-A191 WeakPolarHBondContact CG1-O 3.39Å; V164-A191 PolarHBondContact N-O 3.28Å; V164-A191 PolarHBondContact O-N 3.48Å; A191-L193 PolarHBondContact O-N 3.19Å; A191-Y198 HydrophobicContact CB-CE1 3.86Å
192	L	97.5	Very high	93.2	Very high	90 Å²	90	41.7 Å²	41.7	47%	0.471	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	131.9	163.2	-64.6	176.7	0	0	0	108.9	L92 K95 K194 Y198	L92-L192 HydrophobicContact CD2-CD2 3.91Å; L92-L192 HydrophobicContact CD2-CG 4.39Å; K95-L192 HydrophobicContact CD-CD2 3.82Å; L192-K194 PolarHBondContact O-N 2.87Å; L192-Y198 PolarHBondContact O-OH 3.46Å
193	L	98.1	Very high	91.7	Very high	30 Å²	30	43 Å²	43	16%	0.157	24%	0.242	C	C	.	.			trans	-67.6	126.8	178.1	-179.9	63.7	0	0	0	109.5	H159 G162 V164 A191 Y198 R222	H159-L193 HydrophobicContact CB-CD2 4.09Å; G162-L193 PolarHBondContact O-N 2.92Å; V164-L193 HydrophobicContact CB-CD1 4.09Å; A191-L193 PolarHBondContact O-N 3.19Å; L193-Y198 WeakPolarHBondContact CA-OH 3.32Å; L193-R222 HydrophobicContact CD1-CG 4.37Å
194	K	97.3	Very high	90.7	Very high	81 Å²	81	43.1 Å²	43.1	35%	0.352	25%	0.248	S	C	.	.			trans	-135.1	154.8	175	75.3	-165.4	-177.2	177.1	0	110.2	L192 T196 V197 Y198	L192-K194 PolarHBondContact O-N 2.87Å; K194-T196 VanDerWaalsContact CD-OG1 3.22Å; K194-T196 WeakPolarHBondContact CD-OG1 3.3Å; K194-T196 WeakPolarHBondContact CE-O 3.22Å; K194-T196 WeakPolarHBondContact CE-OG1 3.5Å; K194-T196 WeakPolarHBondContact CG-O 3.4Å; K194-T196 VanDerWaalsContact CG-OG1 3.31Å; K194-T196 WeakPolarHBondContact CG-OG1 3.41Å; K194-V197 WeakPolarHBondContact CE-O 3.25Å; K194-V197 PolarHBondContact NZ-O 3.11Å; K194-Y198 HydrophobicContact CD-CE1 4.05Å; K194-Y198 HydrophobicContact CD-CE2 4.33Å; K194-Y198 HydrophobicContact CG-CD2 4.49Å; K194-Y198 HydrophobicContact CG-CE1 4.2Å; K194-Y198 HydrophobicContact CG-CE2 3.73Å; K194-Y198 PolarHBondContact N-OH 3.02Å
195	D	96.4	Very high	90.3	Very high	118 Å²	118	44.3 Å²	44.3	63%	0.631	26%	0.255	S	S	*	.	S	Bend	trans	-84.5	-14	178.5	-62	-34.8	0	0	0	112.8	H220 R222	D195-H220 PolarHBondContact O-CD2 2.87Å; D195-H220 VanDerWaalsContact O-CD2 3.3Å; D195-R222 IonicContact OD1-CZ 3.43Å; D195-R222 IonicContact OD1-NH1 3.53Å; D195-R222 PolarHBondContact OD1-NH1 2.95Å; D195-R222 IonicContact OD1-NH2 2.75Å; D195-R222 PolarHBondContact OD1-NH2 3.3Å
196	T	97.3	Very high	90.2	Very high	88 Å²	88	48.1 Å²	48.1	54%	0.54	27%	0.267	S	S	.	.	S	Bend	trans	-80.4	160.1	175.1	59.2	0	0	0	0	111.9	K194	K194-T196 VanDerWaalsContact CD-OG1 3.22Å; K194-T196 WeakPolarHBondContact CD-OG1 3.3Å; K194-T196 WeakPolarHBondContact CE-O 3.22Å; K194-T196 WeakPolarHBondContact CE-OG1 3.5Å; K194-T196 WeakPolarHBondContact CG-O 3.4Å; K194-T196 VanDerWaalsContact CG-OG1 3.31Å; K194-T196 WeakPolarHBondContact CG-OG1 3.41Å
197	V	96.8	Very high	90.3	Very high	37 Å²	37	48.6 Å²	48.6	22%	0.224	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-54.2	140	175.1	167.6	0	0	0	0	112.6	K194 T199 R218 H220	K194-V197 WeakPolarHBondContact CE-O 3.25Å; K194-V197 PolarHBondContact NZ-O 3.11Å; V197-T199 HydrophobicContact CG1-CG2 3.93Å; V197-R218 HydrophobicContact CG1-CB 3.9Å; V197-R218 HydrophobicContact CG1-CG 4.02Å; V197-H220 VanDerWaalsContact CG2-CE1 3.42Å; V197-H220 WeakPolarHBondContact CG2-CE1 3.47Å; V197-H220 WeakPolarHBondContact CG2-NE2 3.45Å
198	Y	96.6	Very high	90.4	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.016	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-94.5	138.4	161.8	-65.8	-97.9	0	0	0	109.4	V164 A191 L192 L193 K194 R218 Y219	V164-Y198 HydrophobicContact CG1-CE1 4.38Å; V164-Y198 WeakPolarHBondContact CG1-OH 3.4Å; A191-Y198 HydrophobicContact CB-CE1 3.86Å; L192-Y198 PolarHBondContact O-OH 3.46Å; L193-Y198 WeakPolarHBondContact CA-OH 3.32Å; K194-Y198 HydrophobicContact CD-CE1 4.05Å; K194-Y198 HydrophobicContact CD-CE2 4.33Å; K194-Y198 HydrophobicContact CG-CD2 4.49Å; K194-Y198 HydrophobicContact CG-CE1 4.2Å; K194-Y198 HydrophobicContact CG-CE2 3.73Å; K194-Y198 PolarHBondContact N-OH 3.02Å; Y198-R218 WeakPolarHBondContact O-CA 3.29Å; Y198-Y219 VanDerWaalsContact CB-CE1 3.49Å; Y198-Y219 WeakPolarHBondContact CB-OH 3.45Å; Y198-Y219 HydrophobicContact CD2-CD2 4.34Å; Y198-Y219 AromaticContact CD2-CE2 3.95Å; Y198-Y219 HydrophobicContact CD2-CE2 3.95Å; Y198-Y219 HydrophobicContact CG-CD2 4.5Å; Y198-Y219 AromaticContact CG-CE2 3.81Å; Y198-Y219 HydrophobicContact CG-CE2 3.81Å; Y198-Y219 AromaticContact CG-CZ 3.81Å; Y198-Y219 PolarHBondContact N-O 2.81Å; Y198-Y219 PolarHBondContact O-N 3.24Å; Y198-Y219 VanDerWaalsContact O-N 3.16Å
199	T	94.6	Very high	90.6	Very high	89 Å²	89	48.2 Å²	48.2	55%	0.546	26%	0.264	S	S	.	.			trans	-120.7	2.8	179.2	54.9	0	0	0	0	112	V197 R218	V197-T199 HydrophobicContact CG1-CG2 3.93Å; T199-R218 HydrophobicContact CG2-CG 4.23Å
200	D	87.1	Confident	90.8	Very high	44 Å²	44	48.2 Å²	48.2	24%	0.235	26%	0.263	C	S	.	.			trans	-119.7	135.3	-176.6	59.5	-67.5	0	0	0	109	R166 Y219	R166-D200 IonicContact CZ-OD2 3.33Å; R166-D200 PolarHBondContact NH1-O 2.89Å; R166-D200 IonicContact NH1-OD2 3.31Å; R166-D200 PolarHBondContact NH1-OD2 2.91Å; R166-D200 IonicContact NH2-OD2 3.57Å; D200-Y219 WeakPolarHBondContact O-CE1 3.43Å; D200-Y219 PolarHBondContact O-OH 3.21Å
201	F	71.5	Confident	90.9	Very high	22 Å²	22	48.2 Å²	48.2	10%	0.096	26%	0.263	C	S	.	.			trans	-156.9	40.9	178.5	-161.4	-97.1	0	0	0	109.6	R166 A203 G204 S209 W213 Y219	R166-F201 HydrophobicContact CB-CE2 4.5Å; F201-A203 PolarHBondContact O-N 3.35Å; F201-G204 VanDerWaalsContact CE1-CA 3.44Å; F201-S209 WeakPolarHBondContact CE1-OG 3.45Å; F201-S209 VanDerWaalsContact CZ-OG 3.3Å; F201-S209 WeakPolarHBondContact CZ-OG 3.28Å; F201-W213 HydrophobicContact CB-CD2 3.74Å; F201-W213 VanDerWaalsContact CB-CE2 3.42Å; F201-W213 HydrophobicContact CB-CE3 3.83Å; F201-W213 HydrophobicContact CB-CH2 3.39Å; F201-W213 HydrophobicContact CB-CZ2 3.3Å; F201-W213 HydrophobicContact CB-CZ3 3.64Å; F201-W213 AromaticContact CD1-CD1 3.98Å; F201-W213 HydrophobicContact CD1-CD2 4.33Å; F201-W213 AromaticContact CD1-CE2 3.83Å; F201-W213 HydrophobicContact CD1-CG 4.47Å; F201-W213 HydrophobicContact CD1-CZ2 4.33Å; F201-W213 AromaticContact CD1-NE1 3.5Å; F201-W213 HydrophobicContact CG-CD2 4.02Å; F201-W213 AromaticContact CG-CE2 3.82Å; F201-W213 HydrophobicContact CG-CE3 4.46Å; F201-W213 HydrophobicContact CG-CG 4.44Å; F201-W213 HydrophobicContact CG-CZ2 4.18Å; F201-W213 AromaticContact CG-NE1 3.95Å; F201-Y219 HydrophobicContact CB-CE1 4.16Å; F201-Y219 AromaticContact CD2-CE1 3.73Å; F201-Y219 HydrophobicContact CD2-CE1 3.73Å; F201-Y219 HydrophobicContact CD2-CE2 4.49Å; F201-Y219 AromaticContact CD2-CZ 3.69Å; F201-Y219 HydrophobicContact CG-CE1 4.36Å
202	D	62.8	Low	91	Very high	147 Å²	147	48.7 Å²	48.7	79%	0.786	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-0.5	-168	-72.9	-19.7	0	0	0	114.2
203	A	66.1	Low	91	Very high	34 Å²	34	45.4 Å²	45.4	28%	0.281	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-142.4	-0.2	-174	0	0	0	0	0	116.1	F49 S189 F201	F49-A203 HydrophobicContact CE1-CB 3.77Å; F49-A203 HydrophobicContact CZ-CB 4.09Å; F49-A203 WeakPolarHBondContact CZ-O 3.36Å; S189-A203 WeakPolarHBondContact OG-CB 3.49Å; S189-A203 PolarHBondContact OG-O 3.39Å; F201-A203 PolarHBondContact O-N 3.35Å
204	G	77.4	Confident	90.9	Very high	18 Å²	18	44.9 Å²	44.9	19%	0.186	24%	0.243	C	C	.	.	S	Bend	trans	-78.4	157.3	176.7	0	0	0	0	0	112.9	F201 R206	F201-G204 VanDerWaalsContact CE1-CA 3.44Å; G204-R206 PolarHBondContact O-N 2.95Å
205	T	89.9	Confident	90.9	Very high	30 Å²	30	45.7 Å²	45.7	18%	0.184	25%	0.246	C	C	.	.			trans	-72.8	115.4	178.4	-55.8	0	0	0	0	110.7	D167 K169 V207 Y208 S209	D167-T205 VanDerWaalsContact OD1-CB 3.23Å; D167-T205 WeakPolarHBondContact OD1-CB 3.37Å; D167-T205 PolarHBondContact OD1-N 3.39Å; D167-T205 PolarHBondContact OD1-OG1 3.11Å; K169-T205 HydrophobicContact CD-CG2 4.2Å; K169-T205 VanDerWaalsContact CD-OG1 3.3Å; K169-T205 WeakPolarHBondContact CD-OG1 3.48Å; K169-T205 WeakPolarHBondContact CE-OG1 3.48Å; K169-T205 PolarHBondContact NZ-OG1 3.42Å; T205-V207 VanDerWaalsContact C-N 3.34Å; T205-V207 HydrophobicContact CG2-CG2 3.9Å; T205-V207 PolarHBondContact O-N 2.98Å; T205-Y208 HydrophobicContact CG2-CD2 3.89Å; T205-Y208 PolarHBondContact O-N 2.95Å; T205-S209 PolarHBondContact O-N 3.31Å; T205-S209 PolarHBondContact O-OG 2.96Å
206	R	94.8	Very high	90.9	Very high	117 Å²	117	47.3 Å²	47.3	44%	0.442	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-56.3	-41.9	-169.9	-169.7	179.6	-173	83.8	-1.5	113.7	G204 Y208 S209 I214 D246	G204-R206 PolarHBondContact O-N 2.95Å; R206-Y208 PolarHBondContact O-N 3.22Å; R206-S209 WeakPolarHBondContact CA-OG 3.43Å; R206-S209 WeakPolarHBondContact O-CB 3.37Å; R206-S209 PolarHBondContact O-N 2.81Å; R206-S209 PolarHBondContact O-OG 3.04Å; R206-S209 VanDerWaalsContact O-OG 3.12Å; R206-I214 HydrophobicContact CG-CD1 4.12Å; R206-D246 IonicContact CZ-OD1 3.74Å; R206-D246 IonicContact CZ-OD2 2.66Å; R206-D246 IonicContact NE-OD1 2.68Å; R206-D246 PolarHBondContact NE-OD1 3.28Å; R206-D246 IonicContact NE-OD2 3.49Å; R206-D246 PolarHBondContact NE-OD2 3.07Å; R206-D246 IonicContact NH2-OD1 3.64Å; R206-D246 PolarHBondContact NH2-OD1 3.36Å; R206-D246 IonicContact NH2-OD2 2.82Å; R206-D246 PolarHBondContact NH2-OD2 2.92Å
207	V	97.2	Very high	90.9	Very high	38 Å²	38	47.9 Å²	47.9	23%	0.23	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-68.2	-18.2	-179	-64.1	0	0	0	0	113.8	T205 I241	T205-V207 VanDerWaalsContact C-N 3.34Å; T205-V207 HydrophobicContact CG2-CG2 3.9Å; T205-V207 PolarHBondContact O-N 2.98Å; V207-I241 HydrophobicContact CB-CD1 3.84Å; V207-I241 HydrophobicContact CG1-CD1 4.25Å; V207-I241 HydrophobicContact CG2-CD1 3.69Å
208	Y	98.2	Very high	90.9	Very high	12 Å²	12	52.9 Å²	52.9	5%	0.047	26%	0.256	C	S	.	.	G	3₁₀ helix	trans	-91.7	-1.8	171.1	-78.5	-96.9	0	0	0	113	I168 K169 D170 T205 R206 W227 V231 L232 I241	I168-Y208 VanDerWaalsContact O-CD1 3.26Å; I168-Y208 WeakPolarHBondContact O-CD1 3.38Å; K169-Y208 HydrophobicContact CB-CD1 4.05Å; K169-Y208 HydrophobicContact CB-CD2 3.91Å; K169-Y208 HydrophobicContact CB-CE1 3.71Å; K169-Y208 HydrophobicContact CB-CE2 3.56Å; K169-Y208 HydrophobicContact CB-CG 4.14Å; K169-Y208 VanDerWaalsContact CB-CZ 3.45Å; K169-Y208 HydrophobicContact CD-CE2 4.48Å; D170-Y208 PolarHBondContact OD1-OH 3.37Å; T205-Y208 HydrophobicContact CG2-CD2 3.89Å; T205-Y208 PolarHBondContact O-N 2.95Å; R206-Y208 PolarHBondContact O-N 3.22Å; Y208-W227 VanDerWaalsContact O-CD1 3.3Å; Y208-V231 HydrophobicContact CD1-CB 3.72Å; Y208-V231 HydrophobicContact CD1-CG1 3.42Å; Y208-V231 VanDerWaalsContact CD1-CG1 3.42Å; Y208-V231 HydrophobicContact CD2-CG1 4.4Å; Y208-V231 HydrophobicContact CE1-CB 3.9Å; Y208-V231 HydrophobicContact CE1-CG1 3.37Å; Y208-V231 HydrophobicContact CE2-CG1 4.37Å; Y208-V231 HydrophobicContact CG-CG1 3.96Å; Y208-L232 HydrophobicContact CE1-CB 4.28Å; Y208-I241 HydrophobicContact CE2-CG2 4.11Å
209	S	97.3	Very high	91	Very high	1 Å²	1	52.9 Å²	52.9	1%	0.007	26%	0.256	C	S	.	.	S	Bend	trans	-79.8	145.5	-175.9	-56.8	0	0	0	0	112.2	F201 T205 R206 W227 I249	F201-S209 WeakPolarHBondContact CE1-OG 3.45Å; F201-S209 VanDerWaalsContact CZ-OG 3.3Å; F201-S209 WeakPolarHBondContact CZ-OG 3.28Å; T205-S209 PolarHBondContact O-N 3.31Å; T205-S209 PolarHBondContact O-OG 2.96Å; R206-S209 WeakPolarHBondContact CA-OG 3.43Å; R206-S209 WeakPolarHBondContact O-CB 3.37Å; R206-S209 PolarHBondContact O-N 2.81Å; R206-S209 PolarHBondContact O-OG 3.04Å; R206-S209 VanDerWaalsContact O-OG 3.12Å; S209-W227 PolarHBondContact O-NE1 3.05Å; S209-I249 WeakPolarHBondContact O-CG2 3.31Å
210	P	97.9	Very high	91.1	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.013	25%	0.249	C	C	.	.			trans	-77.6	158.4	-177.8	36.3	-40.1	0	0	0	112.3	E212 W213 I214 A224 W227	P210-E212 VanDerWaalsContact C-N 3.27Å; P210-E212 WeakPolarHBondContact CB-OE1 3.46Å; P210-E212 WeakPolarHBondContact CB-OE2 3.27Å; P210-E212 HydrophobicContact CG-CG 4.3Å; P210-E212 PolarHBondContact O-N 2.88Å; P210-W213 HydrophobicContact CG-CB 4.13Å; P210-W213 WeakPolarHBondContact O-CB 3.49Å; P210-W213 PolarHBondContact O-N 3.36Å; P210-I214 PolarHBondContact O-N 3.27Å; P210-A224 HydrophobicContact CG-CB 3.87Å; P210-W227 HydrophobicContact CB-CB 3.86Å; P210-W227 HydrophobicContact CB-CD2 4.06Å; P210-W227 HydrophobicContact CB-CG 3.66Å
211	P	98.3	Very high	91.6	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.019	24%	0.239	C	C	.	.	H	α-helix	trans	-61.5	-30.2	-174.8	23.6	-35.5	0	0	0	113.9	W213 I214 K215 W227 I249 L274	P211-W213 VanDerWaalsContact C-N 3.31Å; P211-W213 PolarHBondContact O-N 3.49Å; P211-I214 PolarHBondContact O-N 3.01Å; P211-K215 WeakPolarHBondContact O-CB 3.32Å; P211-K215 WeakPolarHBondContact O-CG 3.48Å; P211-K215 PolarHBondContact O-N 2.92Å; P211-W227 VanDerWaalsContact CD-CZ3 3.42Å; P211-W227 HydrophobicContact CG-CE3 4.25Å; P211-W227 HydrophobicContact CG-CH2 3.97Å; P211-W227 HydrophobicContact CG-CZ3 3.78Å; P211-I249 HydrophobicContact CB-CG2 4.42Å; P211-L274 HydrophobicContact CB-CD2 4.19Å; P211-L274 HydrophobicContact CG-CD2 4.09Å
212	E	98.1	Very high	92.9	Very high	18 Å²	18	55.7 Å²	55.7	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-67.1	-29.5	175.1	63.6	-86.7	-158.3	0	0	113.3	P210 Y216 R218 P276 R279	P210-E212 VanDerWaalsContact C-N 3.27Å; P210-E212 WeakPolarHBondContact CB-OE1 3.46Å; P210-E212 WeakPolarHBondContact CB-OE2 3.27Å; P210-E212 HydrophobicContact CG-CG 4.3Å; P210-E212 PolarHBondContact O-N 2.88Å; E212-Y216 HydrophobicContact CB-CD2 4.28Å; E212-Y216 WeakPolarHBondContact O-CA 3.48Å; E212-Y216 WeakPolarHBondContact O-CB 3.48Å; E212-Y216 PolarHBondContact O-N 3.18Å; E212-R218 CarbonylContact C-O 3.37Å; E212-R218 VanDerWaalsContact CG-O 3.28Å; E212-R218 WeakPolarHBondContact CG-O 3.47Å; E212-P276 HydrophobicContact CB-CG 4.46Å; E212-P276 VanDerWaalsContact CD-CG 3.48Å; E212-P276 HydrophobicContact CG-CG 4.1Å; E212-P276 WeakPolarHBondContact OE1-CG 3.37Å; E212-R279 IonicContact OE1-CZ 3.53Å; E212-R279 IonicContact OE1-NH1 4Å; E212-R279 PolarHBondContact OE1-NH1 3.38Å; E212-R279 IonicContact OE1-NH2 3.65Å; E212-R279 PolarHBondContact OE1-NH2 3.41Å; E212-R279 IonicContact OE2-CZ 2.81Å; E212-R279 IonicContact OE2-NH1 2.64Å; E212-R279 IonicContact OE2-NH2 3.48Å; E212-R279 PolarHBondContact OE2-NH2 2.91Å
213	W	97.7	Very high	94.6	Very high	21 Å²	21	49.6 Å²	49.6	8%	0.08	23%	0.226	C	C	.	.	H	α-helix	trans	-69.9	-48	171.4	171.4	-109.2	0	0	0	110.2	F201 P210 P211 K215 H217 Y219	F201-W213 HydrophobicContact CB-CD2 3.74Å; F201-W213 VanDerWaalsContact CB-CE2 3.42Å; F201-W213 HydrophobicContact CB-CE3 3.83Å; F201-W213 HydrophobicContact CB-CH2 3.39Å; F201-W213 HydrophobicContact CB-CZ2 3.3Å; F201-W213 HydrophobicContact CB-CZ3 3.64Å; F201-W213 AromaticContact CD1-CD1 3.98Å; F201-W213 HydrophobicContact CD1-CD2 4.33Å; F201-W213 AromaticContact CD1-CE2 3.83Å; F201-W213 HydrophobicContact CD1-CG 4.47Å; F201-W213 HydrophobicContact CD1-CZ2 4.33Å; F201-W213 AromaticContact CD1-NE1 3.5Å; F201-W213 HydrophobicContact CG-CD2 4.02Å; F201-W213 AromaticContact CG-CE2 3.82Å; F201-W213 HydrophobicContact CG-CE3 4.46Å; F201-W213 HydrophobicContact CG-CG 4.44Å; F201-W213 HydrophobicContact CG-CZ2 4.18Å; F201-W213 AromaticContact CG-NE1 3.95Å; P210-W213 HydrophobicContact CG-CB 4.13Å; P210-W213 WeakPolarHBondContact O-CB 3.49Å; P210-W213 PolarHBondContact O-N 3.36Å; P211-W213 VanDerWaalsContact C-N 3.31Å; P211-W213 PolarHBondContact O-N 3.49Å; W213-K215 VanDerWaalsContact C-N 3.3Å; W213-K215 PolarHBondContact O-N 3.36Å; W213-H217 AromaticContact CE2-ND1 3.98Å; W213-H217 VanDerWaalsContact CE3-CA 3.42Å; W213-H217 HydrophobicContact CE3-CB 4.2Å; W213-H217 HydrophobicContact CH2-CB 4.03Å; W213-H217 AromaticContact CH2-ND1 3.78Å; W213-H217 AromaticContact CZ2-ND1 3.62Å; W213-H217 VanDerWaalsContact CZ3-CA 3.49Å; W213-H217 HydrophobicContact CZ3-CB 3.78Å; W213-H217 VanDerWaalsContact CZ3-O 3.32Å; W213-H217 WeakPolarHBondContact CZ3-O 3.38Å; W213-H217 VanDerWaalsContact O-CA 3.3Å; W213-H217 WeakPolarHBondContact O-CA 3.48Å; W213-H217 PolarHBondContact O-N 2.92Å; W213-Y219 HydrophobicContact CD2-CD1 4.48Å; W213-Y219 AromaticContact CE3-CD1 3.76Å; W213-Y219 HydrophobicContact CE3-CD1 3.76Å; W213-Y219 AromaticContact CE3-CE1 3.92Å; W213-Y219 HydrophobicContact CE3-CE1 3.92Å; W213-Y219 HydrophobicContact CZ3-CD1 4.48Å; W213-Y219 HydrophobicContact CZ3-CE1 4.3Å
214	I	96.6	Very high	96.2	Very high	19 Å²	19	48.5 Å²	48.5	10%	0.097	22%	0.216	C	C	.	.	H	α-helix	trans	-59.7	-40.9	179.9	-54	-56.7	0	0	0	111.7	R206 P210 P211 D246 I249 T250	R206-I214 HydrophobicContact CG-CD1 4.12Å; P210-I214 PolarHBondContact O-N 3.27Å; P211-I214 PolarHBondContact O-N 3.01Å; I214-D246 HydrophobicContact CG2-CB 3.79Å; I214-I249 HydrophobicContact CD1-CD1 4.45Å; I214-I249 HydrophobicContact CG1-CD1 4.46Å; I214-I249 HydrophobicContact CG1-CG2 3.85Å; I214-T250 HydrophobicContact CB-CG2 3.94Å; I214-T250 HydrophobicContact CG2-CG2 3.64Å
215	K	96.6	Very high	97.2	Very high	98 Å²	98	47.8 Å²	47.8	43%	0.426	21%	0.209	S	C	.	.	H	α-helix	trans	-83.3	-38.4	-176.4	-68.9	177.4	-174.7	177.1	0	114	P211 W213 T250	P211-K215 WeakPolarHBondContact O-CB 3.32Å; P211-K215 WeakPolarHBondContact O-CG 3.48Å; P211-K215 PolarHBondContact O-N 2.92Å; W213-K215 VanDerWaalsContact C-N 3.3Å; W213-K215 PolarHBondContact O-N 3.36Å; K215-T250 HydrophobicContact CD-CG2 4.29Å; K215-T250 VanDerWaalsContact CE-CG2 3.46Å; K215-T250 HydrophobicContact CG-CG2 3.8Å; K215-T250 PolarHBondContact NZ-O 2.9Å
216	Y	96.8	Very high	97.6	Very high	151 Å²	151	46.6 Å²	46.6	59%	0.592	20%	0.201	S	C	*	.	H	α-helix	trans	-129.9	-1.4	-163.2	-48.2	-58.7	0	0	0	114	E212 R218	E212-Y216 HydrophobicContact CB-CD2 4.28Å; E212-Y216 WeakPolarHBondContact O-CA 3.48Å; E212-Y216 WeakPolarHBondContact O-CB 3.48Å; E212-Y216 PolarHBondContact O-N 3.18Å; Y216-R218 WeakPolarHBondContact O-CG 3.26Å; Y216-R218 PolarHBondContact O-N 2.83Å
217	H	96.3	Very high	97.8	Very high	101 Å²	101	41 Å²	41	47%	0.468	18%	0.18	S	C	.	.	S	Bend	trans	52.2	35.6	-174.3	-59.9	-67	0	0	0	113.2	W213	W213-H217 AromaticContact CE2-ND1 3.98Å; W213-H217 VanDerWaalsContact CE3-CA 3.42Å; W213-H217 HydrophobicContact CE3-CB 4.2Å; W213-H217 HydrophobicContact CH2-CB 4.03Å; W213-H217 AromaticContact CH2-ND1 3.78Å; W213-H217 AromaticContact CZ2-ND1 3.62Å; W213-H217 VanDerWaalsContact CZ3-CA 3.49Å; W213-H217 HydrophobicContact CZ3-CB 3.78Å; W213-H217 VanDerWaalsContact CZ3-O 3.32Å; W213-H217 WeakPolarHBondContact CZ3-O 3.38Å; W213-H217 VanDerWaalsContact O-CA 3.3Å; W213-H217 WeakPolarHBondContact O-CA 3.48Å; W213-H217 PolarHBondContact O-N 2.92Å
218	R	97	Very high	97.9	Very high	141 Å²	141	39.7 Å²	39.7	53%	0.532	17%	0.172	S	C	.	.			trans	-144.4	135.6	-175.9	-67.8	173.3	78.2	119.3	5.3	110.6	V197 Y198 T199 E212 Y216	V197-R218 HydrophobicContact CG1-CB 3.9Å; V197-R218 HydrophobicContact CG1-CG 4.02Å; Y198-R218 WeakPolarHBondContact O-CA 3.29Å; T199-R218 HydrophobicContact CG2-CG 4.23Å; E212-R218 CarbonylContact C-O 3.37Å; E212-R218 VanDerWaalsContact CG-O 3.28Å; E212-R218 WeakPolarHBondContact CG-O 3.47Å; Y216-R218 WeakPolarHBondContact O-CG 3.26Å; Y216-R218 PolarHBondContact O-N 2.83Å
219	Y	97.9	Very high	97.9	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.02	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-152.3	166.4	176.5	63.7	-79.4	0	0	0	111.7	R166 Y198 D200 F201 W213 A224	R166-Y219 WeakPolarHBondContact CD-OH 3.5Å; R166-Y219 PolarHBondContact NH1-OH 3.05Å; R166-Y219 VanDerWaalsContact NH1-OH 3.11Å; Y198-Y219 VanDerWaalsContact CB-CE1 3.49Å; Y198-Y219 WeakPolarHBondContact CB-OH 3.45Å; Y198-Y219 HydrophobicContact CD2-CD2 4.34Å; Y198-Y219 AromaticContact CD2-CE2 3.95Å; Y198-Y219 HydrophobicContact CD2-CE2 3.95Å; Y198-Y219 HydrophobicContact CG-CD2 4.5Å; Y198-Y219 AromaticContact CG-CE2 3.81Å; Y198-Y219 HydrophobicContact CG-CE2 3.81Å; Y198-Y219 AromaticContact CG-CZ 3.81Å; Y198-Y219 PolarHBondContact N-O 2.81Å; Y198-Y219 PolarHBondContact O-N 3.24Å; Y198-Y219 VanDerWaalsContact O-N 3.16Å; D200-Y219 WeakPolarHBondContact O-CE1 3.43Å; D200-Y219 PolarHBondContact O-OH 3.21Å; F201-Y219 HydrophobicContact CB-CE1 4.16Å; F201-Y219 AromaticContact CD2-CE1 3.73Å; F201-Y219 HydrophobicContact CD2-CE1 3.73Å; F201-Y219 HydrophobicContact CD2-CE2 4.49Å; F201-Y219 AromaticContact CD2-CZ 3.69Å; F201-Y219 HydrophobicContact CG-CE1 4.36Å; W213-Y219 HydrophobicContact CD2-CD1 4.48Å; W213-Y219 AromaticContact CE3-CD1 3.76Å; W213-Y219 HydrophobicContact CE3-CD1 3.76Å; W213-Y219 AromaticContact CE3-CE1 3.92Å; W213-Y219 HydrophobicContact CE3-CE1 3.92Å; W213-Y219 HydrophobicContact CZ3-CD1 4.48Å; W213-Y219 HydrophobicContact CZ3-CE1 4.3Å; Y219-A224 HydrophobicContact CD2-CB 3.62Å; Y219-A224 HydrophobicContact CE2-CB 4.43Å; Y219-A224 HydrophobicContact CG-CB 4.26Å
220	H	98.4	Very high	98	Very high	88 Å²	88	39 Å²	39	41%	0.407	17%	0.17	S	C	.	.			trans	-108.3	139.2	166.1	-68.5	87.7	0	0	0	109	D195 V197 R222 S223 A224	D195-H220 PolarHBondContact O-CD2 2.87Å; D195-H220 VanDerWaalsContact O-CD2 3.3Å; V197-H220 VanDerWaalsContact CG2-CE1 3.42Å; V197-H220 WeakPolarHBondContact CG2-CE1 3.47Å; V197-H220 WeakPolarHBondContact CG2-NE2 3.45Å; H220-R222 PolarHBondContact O-N 2.86Å; H220-S223 PolarHBondContact O-N 2.82Å; H220-S223 PolarHBondContact O-OG 2.85Å; H220-A224 VanDerWaalsContact O-CB 3.32Å; H220-A224 WeakPolarHBondContact O-CB 3.3Å; H220-A224 PolarHBondContact O-N 3.33Å
221	G	97.6	Very high	98	Very high	2 Å²	2	39 Å²	39	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-55.8	-49.4	-171.1	0	0	0	0	0	113.3	A224 T225	G221-A224 PolarHBondContact O-N 3.16Å; G221-T225 WeakPolarHBondContact O-CB 3.4Å; G221-T225 PolarHBondContact O-N 2.82Å; G221-T225 PolarHBondContact O-OG1 3.32Å
222	R	98.6	Very high	98.1	Very high	123 Å²	123	38.8 Å²	38.8	46%	0.464	17%	0.168	S	C	.	.	H	α-helix	trans	-64.2	-46.5	-175.2	-64.3	-172.2	-175.9	84.2	-2.7	113.3	L193 D195 H220 T225 V226	L193-R222 HydrophobicContact CD1-CG 4.37Å; D195-R222 IonicContact OD1-CZ 3.43Å; D195-R222 IonicContact OD1-NH1 3.53Å; D195-R222 PolarHBondContact OD1-NH1 2.95Å; D195-R222 IonicContact OD1-NH2 2.75Å; D195-R222 PolarHBondContact OD1-NH2 3.3Å; H220-R222 PolarHBondContact O-N 2.86Å; R222-T225 WeakPolarHBondContact O-CB 3.29Å; R222-T225 PolarHBondContact O-N 2.72Å; R222-V226 WeakPolarHBondContact O-CG2 3.47Å; R222-V226 PolarHBondContact O-N 3.24Å; R222-V226 VanDerWaalsContact O-N 3.11Å
223	S	98.7	Very high	98.1	Very high	20 Å²	20	38 Å²	38	14%	0.14	16%	0.164	C	C	.	.	H	α-helix	trans	-72.4	-30.1	-179.6	57.9	0	0	0	0	112.6	H220 W227 R279	H220-S223 PolarHBondContact O-N 2.82Å; H220-S223 PolarHBondContact O-OG 2.85Å; S223-W227 PolarHBondContact O-N 3.45Å; S223-R279 WeakPolarHBondContact O-CD 3.36Å; S223-R279 PolarHBondContact O-NH1 3.32Å
224	A	98.4	Very high	98.2	Very high	10 Å²	10	37 Å²	37	8%	0.083	16%	0.161	C	C	.	.	H	α-helix	trans	-68.6	-43.3	172.3	0	0	0	0	0	111.5	P210 Y219 H220 G221 V226 W227 S228	P210-A224 HydrophobicContact CG-CB 3.87Å; Y219-A224 HydrophobicContact CD2-CB 3.62Å; Y219-A224 HydrophobicContact CE2-CB 4.43Å; Y219-A224 HydrophobicContact CG-CB 4.26Å; H220-A224 VanDerWaalsContact O-CB 3.32Å; H220-A224 WeakPolarHBondContact O-CB 3.3Å; H220-A224 PolarHBondContact O-N 3.33Å; G221-A224 PolarHBondContact O-N 3.16Å; A224-V226 VanDerWaalsContact C-N 3.28Å; A224-V226 PolarHBondContact O-N 3.16Å; A224-W227 WeakPolarHBondContact O-CB 3.2Å; A224-W227 PolarHBondContact O-N 3.25Å; A224-W227 VanDerWaalsContact O-N 3.12Å; A224-S228 PolarHBondContact O-N 2.76Å; A224-S228 PolarHBondContact O-OG 3.45Å
225	T	98.6	Very high	98.3	Very high	4 Å²	4	36.4 Å²	36.4	3%	0.025	16%	0.157	C	C	.	.	H	α-helix	trans	-56.1	-42.2	172.6	-68.8	0	0	0	0	111.9	V155 I168 G221 R222 W227 S228 L229	V155-T225 HydrophobicContact CG1-CG2 3.46Å; V155-T225 VanDerWaalsContact CG1-CG2 3.46Å; I168-T225 HydrophobicContact CD1-CG2 3.69Å; G221-T225 WeakPolarHBondContact O-CB 3.4Å; G221-T225 PolarHBondContact O-N 2.82Å; G221-T225 PolarHBondContact O-OG1 3.32Å; R222-T225 WeakPolarHBondContact O-CB 3.29Å; R222-T225 PolarHBondContact O-N 2.72Å; T225-W227 VanDerWaalsContact C-N 3.34Å; T225-W227 PolarHBondContact O-N 3.28Å; T225-S228 WeakPolarHBondContact CA-OG 3.45Å; T225-S228 PolarHBondContact O-N 2.65Å; T225-S228 PolarHBondContact O-OG 2.64Å; T225-L229 HydrophobicContact CG2-CD1 3.97Å; T225-L229 HydrophobicContact CG2-CG 4.5Å; T225-L229 WeakPolarHBondContact O-CB 3.39Å; T225-L229 VanDerWaalsContact O-CG 3.27Å; T225-L229 WeakPolarHBondContact O-CG 3.15Å; T225-L229 PolarHBondContact O-N 3.46Å
226	V	98.9	Very high	98.4	Very high	5 Å²	5	31.7 Å²	31.7	3%	0.03	14%	0.137	C	C	.	.	H	α-helix	trans	-64.9	-38.2	177.5	170.7	0	0	0	0	111.8	R222 A224 L229 G230 C271 R279 P280 L282 I285	R222-V226 WeakPolarHBondContact O-CG2 3.47Å; R222-V226 PolarHBondContact O-N 3.24Å; R222-V226 VanDerWaalsContact O-N 3.11Å; A224-V226 VanDerWaalsContact C-N 3.28Å; A224-V226 PolarHBondContact O-N 3.16Å; V226-L229 PolarHBondContact O-N 2.89Å; V226-G230 PolarHBondContact O-N 3.33Å; V226-C271 HydrophobicContact CG1-CB 4.08Å; V226-R279 HydrophobicContact CB-CB 4.47Å; V226-R279 HydrophobicContact CG1-CB 3.84Å; V226-P280 HydrophobicContact CG1-CG 4.01Å; V226-P280 WeakPolarHBondContact CG2-O 3.43Å; V226-L282 HydrophobicContact CG2-CD2 4.29Å; V226-I285 HydrophobicContact CG1-CD1 4.13Å; V226-I285 HydrophobicContact CG2-CD1 4.3Å
227	W	98.9	Very high	98.5	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.4	-51.1	173.5	176.9	-83.1	0	0	0	111.5	Y208 S209 P210 P211 S223 A224 T225 L229 G230 V231 F243 I249 A252 L272	Y208-W227 VanDerWaalsContact O-CD1 3.3Å; S209-W227 PolarHBondContact O-NE1 3.05Å; P210-W227 HydrophobicContact CB-CB 3.86Å; P210-W227 HydrophobicContact CB-CD2 4.06Å; P210-W227 HydrophobicContact CB-CG 3.66Å; P211-W227 VanDerWaalsContact CD-CZ3 3.42Å; P211-W227 HydrophobicContact CG-CE3 4.25Å; P211-W227 HydrophobicContact CG-CH2 3.97Å; P211-W227 HydrophobicContact CG-CZ3 3.78Å; S223-W227 PolarHBondContact O-N 3.45Å; A224-W227 WeakPolarHBondContact O-CB 3.2Å; A224-W227 PolarHBondContact O-N 3.25Å; A224-W227 VanDerWaalsContact O-N 3.12Å; T225-W227 VanDerWaalsContact C-N 3.34Å; T225-W227 PolarHBondContact O-N 3.28Å; W227-L229 PolarHBondContact O-N 2.69Å; W227-G230 WeakPolarHBondContact O-CA 3.32Å; W227-G230 PolarHBondContact O-N 3Å; W227-V231 PolarHBondContact O-N 3.36Å; W227-F243 AromaticContact CH2-CE2 3.99Å; W227-F243 HydrophobicContact CH2-CE2 3.99Å; W227-F243 HydrophobicContact CZ2-CD2 4.04Å; W227-F243 AromaticContact CZ2-CE2 3.65Å; W227-F243 HydrophobicContact CZ2-CE2 3.65Å; W227-I249 HydrophobicContact CZ2-CG2 3.86Å; W227-A252 HydrophobicContact CH2-CB 3.76Å; W227-A252 HydrophobicContact CZ3-CB 4.2Å; W227-L272 HydrophobicContact CD2-CD2 3.74Å; W227-L272 HydrophobicContact CE3-CB 4.42Å; W227-L272 HydrophobicContact CE3-CD2 3.92Å; W227-L272 HydrophobicContact CG-CD2 4.21Å; W227-L272 HydrophobicContact CH2-CB 4.47Å; W227-L272 HydrophobicContact CH2-CD2 4.3Å; W227-L272 HydrophobicContact CZ2-CD2 4.12Å; W227-L272 HydrophobicContact CZ3-CB 4.14Å; W227-L272 HydrophobicContact CZ3-CD2 4.21Å; W227-L272 VanDerWaalsContact CZ3-O 3.28Å; W227-L272 WeakPolarHBondContact CZ3-O 3.41Å; W227-L272 WeakPolarHBondContact O-CD2 3.32Å
228	S	98.8	Very high	98.6	Very high	9 Å²	9	20.7 Å²	20.7	6%	0.063	9%	0.093	C	C	.	.	H	α-helix	trans	-60.9	-34.2	178.6	54.4	0	0	0	0	112.6	A224 T225 G230 V231 L232	A224-S228 PolarHBondContact O-N 2.76Å; A224-S228 PolarHBondContact O-OG 3.45Å; T225-S228 WeakPolarHBondContact CA-OG 3.45Å; T225-S228 PolarHBondContact O-N 2.65Å; T225-S228 PolarHBondContact O-OG 2.64Å; S228-G230 VanDerWaalsContact C-N 3.35Å; S228-V231 PolarHBondContact O-N 3.05Å; S228-L232 WeakPolarHBondContact O-CB 3.47Å; S228-L232 PolarHBondContact O-N 3.36Å
229	L	98.9	Very high	98.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-65.8	-35.8	172.8	-74.4	167.1	0	0	0	112.3	F148 V151 L152 V155 I168 T225 V226 W227 L233 L282	F148-L229 HydrophobicContact CE2-CB 4.05Å; F148-L229 HydrophobicContact CE2-CD2 3.87Å; F148-L229 VanDerWaalsContact CE2-O 3.29Å; F148-L229 WeakPolarHBondContact CE2-O 3.32Å; F148-L229 HydrophobicContact CZ-CB 4Å; F148-L229 HydrophobicContact CZ-CD2 4.33Å; V151-L229 HydrophobicContact CG1-CD2 3.79Å; L152-L229 HydrophobicContact CD2-CD1 3.81Å; L152-L229 HydrophobicContact CD2-CD2 4.35Å; V155-L229 HydrophobicContact CG2-CD2 4.41Å; I168-L229 HydrophobicContact CG2-CD2 4.18Å; T225-L229 HydrophobicContact CG2-CD1 3.97Å; T225-L229 HydrophobicContact CG2-CG 4.5Å; T225-L229 WeakPolarHBondContact O-CB 3.39Å; T225-L229 VanDerWaalsContact O-CG 3.27Å; T225-L229 WeakPolarHBondContact O-CG 3.15Å; T225-L229 PolarHBondContact O-N 3.46Å; V226-L229 PolarHBondContact O-N 2.89Å; W227-L229 PolarHBondContact O-N 2.69Å; L229-L233 WeakPolarHBondContact O-CB 3.22Å; L229-L233 PolarHBondContact O-N 3.37Å; L229-L282 HydrophobicContact CD1-CD2 3.63Å
230	G	98.9	Very high	98.6	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-65.1	-41.9	173.1	0	0	0	0	0	112.8	V226 W227 S228 Y234	V226-G230 PolarHBondContact O-N 3.33Å; W227-G230 WeakPolarHBondContact O-CA 3.32Å; W227-G230 PolarHBondContact O-N 3Å; S228-G230 VanDerWaalsContact C-N 3.35Å; G230-Y234 PolarHBondContact O-N 2.72Å; G230-Y234 VanDerWaalsContact O-N 3.07Å
231	V	98.9	Very high	98.6	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61.4	-49.9	173.9	177.3	0	0	0	0	110.1	Y208 W227 S228 L233 Y234 D235 I241 P242 L272	Y208-V231 HydrophobicContact CD1-CB 3.72Å; Y208-V231 HydrophobicContact CD1-CG1 3.42Å; Y208-V231 VanDerWaalsContact CD1-CG1 3.42Å; Y208-V231 HydrophobicContact CD2-CG1 4.4Å; Y208-V231 HydrophobicContact CE1-CB 3.9Å; Y208-V231 HydrophobicContact CE1-CG1 3.37Å; Y208-V231 HydrophobicContact CE2-CG1 4.37Å; Y208-V231 HydrophobicContact CG-CG1 3.96Å; W227-V231 PolarHBondContact O-N 3.36Å; S228-V231 PolarHBondContact O-N 3.05Å; V231-L233 PolarHBondContact O-N 3.46Å; V231-Y234 WeakPolarHBondContact O-CB 3.47Å; V231-Y234 PolarHBondContact O-N 2.93Å; V231-D235 WeakPolarHBondContact O-CB 3.32Å; V231-D235 PolarHBondContact O-N 3.32Å; V231-I241 HydrophobicContact CG1-CB 4.47Å; V231-I241 HydrophobicContact CG1-CG2 4.17Å; V231-P242 HydrophobicContact CG1-CG 4.38Å; V231-P242 HydrophobicContact CG2-CG 4.45Å; V231-L272 HydrophobicContact CG2-CD2 3.85Å
232	L	98.9	Very high	98.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-59.9	-43.2	178.6	178.4	64.3	0	0	0	112.7	L129 V151 I168 D170 I173 Y208 S228 Y234 D235 M236	L129-L232 HydrophobicContact CD2-CD1 3.96Å; V151-L232 HydrophobicContact CG1-CD2 3.93Å; V151-L232 HydrophobicContact CG2-CD2 4.46Å; I168-L232 HydrophobicContact CG2-CD2 3.96Å; D170-L232 HydrophobicContact CB-CD1 4.03Å; I173-L232 HydrophobicContact CD1-CD1 4.17Å; I173-L232 HydrophobicContact CD1-CD2 3.53Å; Y208-L232 HydrophobicContact CE1-CB 4.28Å; S228-L232 WeakPolarHBondContact O-CB 3.47Å; S228-L232 PolarHBondContact O-N 3.36Å; L232-Y234 VanDerWaalsContact C-N 3.34Å; L232-D235 PolarHBondContact O-N 3.31Å; L232-M236 HydrophobicContact CD1-CE 4.1Å; L232-M236 HydrophobicContact CD2-CE 4.05Å; L232-M236 HydrophobicContact CG-CE 3.88Å; L232-M236 WeakPolarHBondContact O-CG 3.37Å; L232-M236 PolarHBondContact O-N 2.98Å
233	L	98.9	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66	-39.7	178.6	178.2	57.9	0	0	0	111.5	F148 L229 V231 D235 M236 V237 L267 I268 W290	F148-L233 HydrophobicContact CB-CD1 4.32Å; F148-L233 HydrophobicContact CD1-CD1 4.27Å; F148-L233 HydrophobicContact CD1-CD2 4.21Å; F148-L233 HydrophobicContact CD2-CB 4.06Å; F148-L233 HydrophobicContact CD2-CD1 4.3Å; F148-L233 HydrophobicContact CE1-CB 4.47Å; F148-L233 HydrophobicContact CE1-CD2 3.92Å; F148-L233 HydrophobicContact CE2-CB 3.77Å; F148-L233 HydrophobicContact CG-CD1 4.06Å; F148-L233 HydrophobicContact CZ-CB 3.98Å; F148-L233 HydrophobicContact CZ-CD2 4.17Å; L229-L233 WeakPolarHBondContact O-CB 3.22Å; L229-L233 PolarHBondContact O-N 3.37Å; V231-L233 PolarHBondContact O-N 3.46Å; L233-D235 VanDerWaalsContact C-N 3.34Å; L233-M236 PolarHBondContact O-N 3.33Å; L233-V237 HydrophobicContact CD1-CG1 4.35Å; L233-V237 WeakPolarHBondContact O-CG2 3.29Å; L233-V237 PolarHBondContact O-N 3.27Å; L233-L267 HydrophobicContact CD2-CD2 3.83Å; L233-L267 HydrophobicContact CD2-CG 4.04Å; L233-I268 HydrophobicContact CB-CG1 4.18Å; L233-I268 HydrophobicContact CD2-CD1 4.41Å; L233-I268 HydrophobicContact CD2-CG1 3.66Å; L233-I268 HydrophobicContact CG-CD1 4.05Å; L233-I268 HydrophobicContact CG-CG1 3.69Å; L233-W290 HydrophobicContact CD1-CH2 3.45Å; L233-W290 VanDerWaalsContact CD1-CH2 3.45Å; L233-W290 HydrophobicContact CD1-CZ2 4.33Å; L233-W290 HydrophobicContact CD1-CZ3 3.68Å; L233-W290 HydrophobicContact CD2-CE3 4.46Å; L233-W290 HydrophobicContact CD2-CZ3 4.09Å
234	Y	98.9	Very high	98.5	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.008	8%	0.08	C	C	.	.	H	α-helix	trans	-60.1	-47.5	173.1	179.4	-80.4	0	0	0	110.8	G230 V231 L232 M236 V237 C238 D240 P242 V254 L255 F256 I268	G230-Y234 PolarHBondContact O-N 2.72Å; G230-Y234 VanDerWaalsContact O-N 3.07Å; V231-Y234 WeakPolarHBondContact O-CB 3.47Å; V231-Y234 PolarHBondContact O-N 2.93Å; L232-Y234 VanDerWaalsContact C-N 3.34Å; Y234-M236 PolarHBondContact O-N 3.44Å; Y234-V237 PolarHBondContact O-N 3.37Å; Y234-C238 HydrophobicContact CD1-CB 3.97Å; Y234-C238 HydrophobicContact CE1-CB 3.56Å; Y234-C238 HydrophobicContact CE2-CB 4.41Å; Y234-C238 VanDerWaalsContact CE2-SG 3.54Å; Y234-C238 VanDerWaalsContact O-CB 3.26Å; Y234-C238 WeakPolarHBondContact O-CB 3.33Å; Y234-C238 PolarHBondContact O-N 2.99Å; Y234-D240 WeakPolarHBondContact CD1-O 3.31Å; Y234-D240 WeakPolarHBondContact CE1-O 3.39Å; Y234-P242 HydrophobicContact CD1-CB 3.63Å; Y234-P242 VanDerWaalsContact CD1-CD 3.44Å; Y234-P242 HydrophobicContact CD1-CG 3.91Å; Y234-P242 HydrophobicContact CD2-CB 4Å; Y234-P242 VanDerWaalsContact CE1-CA 3.47Å; Y234-P242 HydrophobicContact CE1-CB 3.74Å; Y234-P242 HydrophobicContact CE1-CG 4.46Å; Y234-P242 HydrophobicContact CE2-CB 4.1Å; Y234-P242 HydrophobicContact CG-CB 3.77Å; Y234-P242 HydrophobicContact CG-CG 4Å; Y234-V254 HydrophobicContact CD2-CG1 3.76Å; Y234-V254 HydrophobicContact CE2-CG1 3.77Å; Y234-L255 PolarHBondContact OH-O 3Å; Y234-F256 HydrophobicContact CD2-CD1 4.19Å; Y234-F256 AromaticContact CD2-CE1 3.81Å; Y234-F256 HydrophobicContact CD2-CE1 3.81Å; Y234-F256 HydrophobicContact CD2-CZ 4.29Å; Y234-F256 AromaticContact CE2-CD1 3.92Å; Y234-F256 HydrophobicContact CE2-CD1 3.92Å; Y234-F256 AromaticContact CE2-CE1 3.99Å; Y234-F256 HydrophobicContact CE2-CE1 3.99Å; Y234-F256 HydrophobicContact CE2-CG 4.42Å; Y234-I268 HydrophobicContact CD2-CG2 4.22Å
235	D	98.7	Very high	98.4	Very high	5 Å²	5	18.3 Å²	18.3	3%	0.027	10%	0.1	C	C	.	.	H	α-helix	trans	-56.9	-47.9	178	175.1	54.2	0	0	0	112	I133 V231 L232 L233 V237 C238 G239 D240 I241	I133-D235 WeakPolarHBondContact CD1-OD2 3.23Å; V231-D235 WeakPolarHBondContact O-CB 3.32Å; V231-D235 PolarHBondContact O-N 3.32Å; L232-D235 PolarHBondContact O-N 3.31Å; L233-D235 VanDerWaalsContact C-N 3.34Å; D235-V237 VanDerWaalsContact C-N 3.33Å; D235-V237 PolarHBondContact O-N 3Å; D235-C238 PolarHBondContact O-N 3.35Å; D235-G239 WeakPolarHBondContact O-CA 3.09Å; D235-G239 PolarHBondContact O-N 3.18Å; D235-D240 WeakPolarHBondContact CA-O 3.42Å; D235-D240 VanDerWaalsContact OD1-CA 3.29Å; D235-D240 WeakPolarHBondContact OD1-CA 3.13Å; D235-D240 PolarHBondContact OD1-N 2.98Å; D235-I241 HydrophobicContact CB-CG2 4.3Å
236	M	98.8	Very high	98.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-54.1	-44.4	174.7	-71.7	176.4	179.3	0	0	113.3	L129 I133 L139 A144 F147 F148 V151 L232 L233 Y234	L129-M236 HydrophobicContact CD2-CE 3.39Å; L129-M236 HydrophobicContact CD2-CG 4.27Å; I133-M236 HydrophobicContact CD1-CG 4.28Å; L139-M236 VanDerWaalsContact CB-O 3.28Å; L139-M236 WeakPolarHBondContact CB-O 3.39Å; L139-M236 HydrophobicContact CD1-CB 4.28Å; L139-M236 HydrophobicContact CD1-CG 4.37Å; L139-M236 WeakPolarHBondContact CG-O 3.29Å; L139-M236 PolarHBondContact N-O 3.42Å; A144-M236 HydrophobicContact CB-CB 4.06Å; F147-M236 HydrophobicContact CB-CE 4.14Å; F147-M236 HydrophobicContact CB-SD 4.38Å; F148-M236 HydrophobicContact CB-SD 4.18Å; F148-M236 HydrophobicContact CD2-SD 4.41Å; V151-M236 HydrophobicContact CG2-CE 4.37Å; L232-M236 HydrophobicContact CD1-CE 4.1Å; L232-M236 HydrophobicContact CD2-CE 4.05Å; L232-M236 HydrophobicContact CG-CE 3.88Å; L232-M236 WeakPolarHBondContact O-CG 3.37Å; L232-M236 PolarHBondContact O-N 2.98Å; L233-M236 PolarHBondContact O-N 3.33Å; Y234-M236 PolarHBondContact O-N 3.44Å
237	V	98.6	Very high	98.3	Very high	7 Å²	7	25.7 Å²	25.7	4%	0.042	14%	0.136	C	C	.	.	H	α-helix	trans	-94.7	-11.2	-172.9	-56	0	0	0	0	114.5	A138 E141 A144 L233 Y234 D235 V260 I268	A138-V237 WeakPolarHBondContact CB-O 3.48Å; E141-V237 HydrophobicContact CG-CG1 4.33Å; A144-V237 HydrophobicContact CB-CG1 3.69Å; L233-V237 HydrophobicContact CD1-CG1 4.35Å; L233-V237 WeakPolarHBondContact O-CG2 3.29Å; L233-V237 PolarHBondContact O-N 3.27Å; Y234-V237 PolarHBondContact O-N 3.37Å; D235-V237 VanDerWaalsContact C-N 3.33Å; D235-V237 PolarHBondContact O-N 3Å; V237-V260 HydrophobicContact CB-CG1 4.4Å; V237-V260 HydrophobicContact CB-CG2 4.48Å; V237-V260 HydrophobicContact CG2-CG1 3.97Å; V237-V260 HydrophobicContact CG2-CG2 4.07Å; V237-I268 HydrophobicContact CG2-CD1 3.84Å
238	C	98.3	Very high	98.3	Very high	13 Å²	13	29.3 Å²	29.3	9%	0.088	15%	0.153	C	C	.	.	H	α-helix	trans	-110.4	-20.1	176.7	-64.3	0	0	0	0	113	A138 Y234 D235 D240	A138-C238 VanDerWaalsContact CB-C 3.45Å; Y234-C238 HydrophobicContact CD1-CB 3.97Å; Y234-C238 HydrophobicContact CE1-CB 3.56Å; Y234-C238 HydrophobicContact CE2-CB 4.41Å; Y234-C238 VanDerWaalsContact CE2-SG 3.54Å; Y234-C238 VanDerWaalsContact O-CB 3.26Å; Y234-C238 WeakPolarHBondContact O-CB 3.33Å; Y234-C238 PolarHBondContact O-N 2.99Å; D235-C238 PolarHBondContact O-N 3.35Å; C238-D240 VanDerWaalsContact C-N 3.31Å
239	G	97.8	Very high	98.2	Very high	28 Å²	28	28.9 Å²	28.9	29%	0.289	15%	0.15	S	C	.	.	S	Bend	trans	77.5	14.7	-176.9	0	0	0	0	0	114.2	D235	D235-G239 WeakPolarHBondContact O-CA 3.09Å; D235-G239 PolarHBondContact O-N 3.18Å
240	D	97.6	Very high	98.2	Very high	65 Å²	65	30.3 Å²	30.3	35%	0.348	16%	0.158	S	C	.	.	S	Bend	trans	-166	158.9	178.5	-167.2	11.7	0	0	0	109.3	Y234 D235 C238 R257	Y234-D240 WeakPolarHBondContact CD1-O 3.31Å; Y234-D240 WeakPolarHBondContact CE1-O 3.39Å; D235-D240 WeakPolarHBondContact CA-O 3.42Å; D235-D240 VanDerWaalsContact OD1-CA 3.29Å; D235-D240 WeakPolarHBondContact OD1-CA 3.13Å; D235-D240 PolarHBondContact OD1-N 2.98Å; C238-D240 VanDerWaalsContact C-N 3.31Å; D240-R257 IonicContact OD2-CZ 3.93Å; D240-R257 IonicContact OD2-NH1 2.73Å; D240-R257 PolarHBondContact OD2-NH1 3.17Å
241	I	98.2	Very high	98.1	Very high	26 Å²	26	36.4 Å²	36.4	13%	0.133	19%	0.185	C	C	.	.			trans	-70.9	154.7	-178.9	58.8	175.7	0	0	0	112.7	V207 Y208 V231 D235 F243	V207-I241 HydrophobicContact CB-CD1 3.84Å; V207-I241 HydrophobicContact CG1-CD1 4.25Å; V207-I241 HydrophobicContact CG2-CD1 3.69Å; Y208-I241 HydrophobicContact CE2-CG2 4.11Å; V231-I241 HydrophobicContact CG1-CB 4.47Å; V231-I241 HydrophobicContact CG1-CG2 4.17Å; D235-I241 HydrophobicContact CB-CG2 4.3Å; I241-F243 WeakPolarHBondContact CD1-O 3.26Å
242	P	98.1	Very high	98	Very high	14 Å²	14	37.2 Å²	37.2	9%	0.091	19%	0.192	C	C	.	.	S	Bend	trans	-78.9	-21.8	-177.8	29.3	-31.4	0	0	0	114.2	V231 Y234 L272	V231-P242 HydrophobicContact CG1-CG 4.38Å; V231-P242 HydrophobicContact CG2-CG 4.45Å; Y234-P242 HydrophobicContact CD1-CB 3.63Å; Y234-P242 VanDerWaalsContact CD1-CD 3.44Å; Y234-P242 HydrophobicContact CD1-CG 3.91Å; Y234-P242 HydrophobicContact CD2-CB 4Å; Y234-P242 VanDerWaalsContact CE1-CA 3.47Å; Y234-P242 HydrophobicContact CE1-CB 3.74Å; Y234-P242 HydrophobicContact CE1-CG 4.46Å; Y234-P242 HydrophobicContact CE2-CB 4.1Å; Y234-P242 HydrophobicContact CG-CB 3.77Å; Y234-P242 HydrophobicContact CG-CG 4Å; P242-L272 HydrophobicContact CG-CD1 4.33Å
243	F	98.2	Very high	97.9	Very high	3 Å²	3	44 Å²	44	1%	0.013	22%	0.223	C	C	.	.			trans	-140.1	131.1	-172.7	-44.9	-56.4	0	0	0	110.6	W227 I241 E248 I249 A252 V254 L272	W227-F243 AromaticContact CH2-CE2 3.99Å; W227-F243 HydrophobicContact CH2-CE2 3.99Å; W227-F243 HydrophobicContact CZ2-CD2 4.04Å; W227-F243 AromaticContact CZ2-CE2 3.65Å; W227-F243 HydrophobicContact CZ2-CE2 3.65Å; I241-F243 WeakPolarHBondContact CD1-O 3.26Å; F243-E248 HydrophobicContact CB-CB 3.98Å; F243-E248 HydrophobicContact CD1-CB 3.89Å; F243-E248 HydrophobicContact CG-CB 4.3Å; F243-I249 HydrophobicContact CB-CG1 3.64Å; F243-I249 HydrophobicContact CD2-CG1 4.23Å; F243-I249 HydrophobicContact CG-CG1 4.19Å; F243-A252 HydrophobicContact CZ-CB 4.46Å; F243-V254 HydrophobicContact CE1-CG2 4.49Å; F243-V254 HydrophobicContact CZ-CG2 3.92Å; F243-L272 HydrophobicContact CE2-CD1 4.09Å; F243-L272 HydrophobicContact CE2-CD2 4.44Å; F243-L272 HydrophobicContact CZ-CD1 4.26Å
244	E	96.6	Very high	97.8	Very high	95 Å²	95	45 Å²	45	44%	0.444	23%	0.229	S	C	.	.	S	Bend	trans	-110.3	-23.6	178.4	-66.6	173.3	-143.6	0	0	111.5	E248 R257	E244-E248 PolarHBondContact N-OE2 3.02Å; E244-R257 IonicContact OE1-NH2 3.89Å
245	H	97.4	Very high	97.7	Very high	108 Å²	108	51.2 Å²	51.2	50%	0.5	26%	0.262	S	S	.	.	S	Bend	trans	-123.2	153.2	-175.8	-56	-38.3	0	0	0	113.4	E247 E248 I249	H245-E247 PolarHBondContact O-N 3.24Å; H245-E248 HydrophobicContact CB-CG 4.32Å; H245-E248 PolarHBondContact N-OE2 3.45Å; H245-E248 WeakPolarHBondContact O-CB 3.36Å; H245-E248 PolarHBondContact O-N 3.37Å; H245-I249 WeakPolarHBondContact O-CG1 3.38Å; H245-I249 PolarHBondContact O-N 3.03Å; H245-I249 VanDerWaalsContact O-N 3.1Å
246	D	97.1	Very high	97.6	Very high	48 Å²	48	53 Å²	53	26%	0.257	27%	0.269	S	S	.	.	H	α-helix	trans	-55.9	-38.1	179.8	-76.2	-0.2	0	0	0	112.2	R206 I214 E248 I249 T250	R206-D246 IonicContact CZ-OD1 3.74Å; R206-D246 IonicContact CZ-OD2 2.66Å; R206-D246 IonicContact NE-OD1 2.68Å; R206-D246 PolarHBondContact NE-OD1 3.28Å; R206-D246 IonicContact NE-OD2 3.49Å; R206-D246 PolarHBondContact NE-OD2 3.07Å; R206-D246 IonicContact NH2-OD1 3.64Å; R206-D246 PolarHBondContact NH2-OD1 3.36Å; R206-D246 IonicContact NH2-OD2 2.82Å; R206-D246 PolarHBondContact NH2-OD2 2.92Å; I214-D246 HydrophobicContact CG2-CB 3.79Å; D246-E248 VanDerWaalsContact C-N 3.25Å; D246-E248 PolarHBondContact O-N 2.92Å; D246-I249 PolarHBondContact O-N 3.43Å; D246-T250 VanDerWaalsContact O-CB 3.3Å; D246-T250 WeakPolarHBondContact O-CB 3.46Å; D246-T250 WeakPolarHBondContact O-CG2 3.22Å; D246-T250 PolarHBondContact O-N 2.8Å; D246-T250 PolarHBondContact O-OG1 3.46Å
247	E	97.6	Very high	97.1	Very high	117 Å²	117	60 Å²	60	55%	0.547	30%	0.296	S	S	.	.	H	α-helix	trans	-63.2	-32.3	177.5	-66.1	73.7	-159.6	0	0	112.4	H245 T250 K251	H245-E247 PolarHBondContact O-N 3.24Å; E247-T250 WeakPolarHBondContact CA-OG1 3.28Å; E247-T250 PolarHBondContact O-OG1 3.48Å; E247-K251 WeakPolarHBondContact O-CB 3.41Å; E247-K251 VanDerWaalsContact O-CD 3.32Å; E247-K251 WeakPolarHBondContact O-CD 3.35Å; E247-K251 WeakPolarHBondContact O-CG 3.38Å; E247-K251 PolarHBondContact O-N 2.93Å
248	E	98.1	Very high	96.8	Very high	76 Å²	76	66 Å²	66	36%	0.355	32%	0.318	S	S	.	.	H	α-helix	trans	-76.6	-47.1	179	-58.8	178.3	126.7	0	0	110.3	F243 E244 H245 D246 T250 K251 A252	F243-E248 HydrophobicContact CB-CB 3.98Å; F243-E248 HydrophobicContact CD1-CB 3.89Å; F243-E248 HydrophobicContact CG-CB 4.3Å; E244-E248 PolarHBondContact N-OE2 3.02Å; H245-E248 HydrophobicContact CB-CG 4.32Å; H245-E248 PolarHBondContact N-OE2 3.45Å; H245-E248 WeakPolarHBondContact O-CB 3.36Å; H245-E248 PolarHBondContact O-N 3.37Å; D246-E248 VanDerWaalsContact C-N 3.25Å; D246-E248 PolarHBondContact O-N 2.92Å; E248-T250 VanDerWaalsContact C-N 3.27Å; E248-T250 PolarHBondContact O-N 3.29Å; E248-K251 PolarHBondContact O-N 3.3Å; E248-A252 PolarHBondContact O-N 3.25Å
249	I	98.1	Very high	96.7	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-55	-46.4	174.7	-61.8	170	0	0	0	110	S209 P211 I214 W227 F243 H245 D246 K251 A252	S209-I249 WeakPolarHBondContact O-CG2 3.31Å; P211-I249 HydrophobicContact CB-CG2 4.42Å; I214-I249 HydrophobicContact CD1-CD1 4.45Å; I214-I249 HydrophobicContact CG1-CD1 4.46Å; I214-I249 HydrophobicContact CG1-CG2 3.85Å; W227-I249 HydrophobicContact CZ2-CG2 3.86Å; F243-I249 HydrophobicContact CB-CG1 3.64Å; F243-I249 HydrophobicContact CD2-CG1 4.23Å; F243-I249 HydrophobicContact CG-CG1 4.19Å; H245-I249 WeakPolarHBondContact O-CG1 3.38Å; H245-I249 PolarHBondContact O-N 3.03Å; H245-I249 VanDerWaalsContact O-N 3.1Å; D246-I249 PolarHBondContact O-N 3.43Å; I249-K251 VanDerWaalsContact C-N 3.33Å; I249-K251 PolarHBondContact O-N 2.82Å; I249-A252 PolarHBondContact O-N 3.21Å
250	T	97.8	Very high	96.7	Very high	30 Å²	30	74.6 Å²	74.6	18%	0.184	35%	0.346	C	S	.	.	H	α-helix	trans	-75.1	-18	-175.6	55	0	0	0	0	114.8	I214 K215 D246 E247 E248 L274	I214-T250 HydrophobicContact CB-CG2 3.94Å; I214-T250 HydrophobicContact CG2-CG2 3.64Å; K215-T250 HydrophobicContact CD-CG2 4.29Å; K215-T250 VanDerWaalsContact CE-CG2 3.46Å; K215-T250 HydrophobicContact CG-CG2 3.8Å; K215-T250 PolarHBondContact NZ-O 2.9Å; D246-T250 VanDerWaalsContact O-CB 3.3Å; D246-T250 WeakPolarHBondContact O-CB 3.46Å; D246-T250 WeakPolarHBondContact O-CG2 3.22Å; D246-T250 PolarHBondContact O-N 2.8Å; D246-T250 PolarHBondContact O-OG1 3.46Å; E247-T250 WeakPolarHBondContact CA-OG1 3.28Å; E247-T250 PolarHBondContact O-OG1 3.48Å; E248-T250 VanDerWaalsContact C-N 3.27Å; E248-T250 PolarHBondContact O-N 3.29Å; T250-L274 WeakPolarHBondContact O-CD2 3.39Å
251	K	97.6	Very high	96.7	Very high	128 Å²	128	73.1 Å²	73.1	56%	0.557	34%	0.341	S	S	*	.	H	α-helix	trans	-91.6	-27.3	170.3	-72.9	171.4	-171.8	168.5	0	112.7	E247 E248 I249 Q253	E247-K251 WeakPolarHBondContact O-CB 3.41Å; E247-K251 VanDerWaalsContact O-CD 3.32Å; E247-K251 WeakPolarHBondContact O-CD 3.35Å; E247-K251 WeakPolarHBondContact O-CG 3.38Å; E247-K251 PolarHBondContact O-N 2.93Å; E248-K251 PolarHBondContact O-N 3.3Å; I249-K251 VanDerWaalsContact C-N 3.33Å; I249-K251 PolarHBondContact O-N 2.82Å; K251-Q253 HydrophobicContact CB-CG 4.33Å; K251-Q253 PolarHBondContact O-N 3.17Å
252	A	96.6	Very high	96.7	Very high	17 Å²	17	76 Å²	76	14%	0.14	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	37	-178.3	0	0	0	0	0	114.3	W227 F243 E248 I249 V254 L274	W227-A252 HydrophobicContact CH2-CB 3.76Å; W227-A252 HydrophobicContact CZ3-CB 4.2Å; F243-A252 HydrophobicContact CZ-CB 4.46Å; E248-A252 PolarHBondContact O-N 3.25Å; I249-A252 PolarHBondContact O-N 3.21Å; A252-V254 PolarHBondContact O-N 2.78Å; A252-L274 HydrophobicContact CB-CD2 3.43Å; A252-L274 VanDerWaalsContact CB-CD2 3.43Å; A252-L274 HydrophobicContact CB-CG 3.74Å
253	Q	96.9	Very high	96.7	Very high	142 Å²	142	78.9 Å²	78.9	66%	0.664	37%	0.372	S	S	*	.			trans	-85.5	96.2	176.7	-69.3	-177.4	18.4	0	0	109.6	K251 L255	K251-Q253 HydrophobicContact CB-CG 4.33Å; K251-Q253 PolarHBondContact O-N 3.17Å; Q253-L255 PolarHBondContact O-N 2.91Å
254	V	96.9	Very high	96.7	Very high	21 Å²	21	78.8 Å²	78.8	13%	0.127	37%	0.372	C	S	.	.			trans	-77.6	114.5	-178	-171.7	0	0	0	0	110.5	Y234 F243 A252 F256 I268 K269 L272	Y234-V254 HydrophobicContact CD2-CG1 3.76Å; Y234-V254 HydrophobicContact CE2-CG1 3.77Å; F243-V254 HydrophobicContact CE1-CG2 4.49Å; F243-V254 HydrophobicContact CZ-CG2 3.92Å; A252-V254 PolarHBondContact O-N 2.78Å; V254-F256 HydrophobicContact CB-CE2 4.21Å; V254-F256 HydrophobicContact CG1-CD2 4.17Å; V254-F256 HydrophobicContact CG1-CE1 4.38Å; V254-F256 HydrophobicContact CG1-CE2 3.49Å; V254-F256 VanDerWaalsContact CG1-CE2 3.49Å; V254-F256 HydrophobicContact CG1-CZ 3.64Å; V254-I268 HydrophobicContact CG1-CG2 4.28Å; V254-K269 HydrophobicContact CB-CG 4.45Å; V254-L272 HydrophobicContact CG2-CB 4.28Å; V254-L272 HydrophobicContact CG2-CD1 3.69Å
255	L	95.8	Very high	96.8	Very high	133 Å²	133	76.6 Å²	76.6	70%	0.696	36%	0.362	S	S	*	.			trans	-105.4	114.5	175.2	-63.8	178	0	0	0	110.1	Y234 Q253 R257	Y234-L255 PolarHBondContact OH-O 3Å; Q253-L255 PolarHBondContact O-N 2.91Å; L255-R257 PolarHBondContact O-N 3.49Å
256	F	96.8	Very high	96.9	Very high	41 Å²	41	76.4 Å²	76.4	18%	0.18	36%	0.361	C	S	.	.			trans	-80.8	109.7	178.8	-69.2	-90.1	0	0	0	110.5	Y234 V254 R258 V260 Q265 I268 K269	Y234-F256 HydrophobicContact CD2-CD1 4.19Å; Y234-F256 AromaticContact CD2-CE1 3.81Å; Y234-F256 HydrophobicContact CD2-CE1 3.81Å; Y234-F256 HydrophobicContact CD2-CZ 4.29Å; Y234-F256 AromaticContact CE2-CD1 3.92Å; Y234-F256 HydrophobicContact CE2-CD1 3.92Å; Y234-F256 AromaticContact CE2-CE1 3.99Å; Y234-F256 HydrophobicContact CE2-CE1 3.99Å; Y234-F256 HydrophobicContact CE2-CG 4.42Å; V254-F256 HydrophobicContact CB-CE2 4.21Å; V254-F256 HydrophobicContact CG1-CD2 4.17Å; V254-F256 HydrophobicContact CG1-CE1 4.38Å; V254-F256 HydrophobicContact CG1-CE2 3.49Å; V254-F256 VanDerWaalsContact CG1-CE2 3.49Å; V254-F256 HydrophobicContact CG1-CZ 3.64Å; F256-R258 PolarHBondContact O-N 2.73Å; F256-V260 HydrophobicContact CD1-CB 4.12Å; F256-V260 HydrophobicContact CD1-CG2 3.9Å; F256-Q265 HydrophobicContact CD1-CG 3.9Å; F256-Q265 HydrophobicContact CD2-CG 3.92Å; F256-Q265 HydrophobicContact CE1-CB 4.32Å; F256-Q265 HydrophobicContact CE1-CG 3.72Å; F256-Q265 HydrophobicContact CE2-CB 3.99Å; F256-Q265 HydrophobicContact CE2-CG 3.78Å; F256-Q265 HydrophobicContact CG-CG 3.99Å; F256-Q265 HydrophobicContact CZ-CB 3.83Å; F256-Q265 HydrophobicContact CZ-CG 3.66Å; F256-I268 HydrophobicContact CE1-CD1 3.72Å; F256-I268 HydrophobicContact CE1-CG2 4.41Å; F256-I268 HydrophobicContact CZ-CB 4.15Å; F256-I268 HydrophobicContact CZ-CD1 4.17Å; F256-I268 HydrophobicContact CZ-CG2 3.97Å; F256-K269 HydrophobicContact CE2-CG 4.44Å
257	R	88.8	Confident	97	Very high	148 Å²	148	74.1 Å²	74.1	56%	0.558	35%	0.348	S	S	*	.	S	Bend	trans	-72.8	-8	179.6	-60.1	179.1	-176.7	171.6	-0.2	113.2	D240 E244 L255	D240-R257 IonicContact OD2-CZ 3.93Å; D240-R257 IonicContact OD2-NH1 2.73Å; D240-R257 PolarHBondContact OD2-NH1 3.17Å; E244-R257 IonicContact OE1-NH2 3.89Å; L255-R257 PolarHBondContact O-N 3.49Å
258	R	92.8	Very high	97	Very high	134 Å²	134	68.5 Å²	68.5	51%	0.506	32%	0.322	S	S	.	.	S	Bend	trans	-139.6	167.1	-177.1	-62.5	-178.8	66.4	154	-5.3	111.1	A138 F256 V260	A138-R258 VanDerWaalsContact CB-CZ 3.4Å; F256-R258 PolarHBondContact O-N 2.73Å; R258-V260 PolarHBondContact O-N 3.41Å
259	K	95.5	Very high	97.1	Very high	214 Å²	214	69.7 Å²	69.7	93%	0.93	33%	0.326	S	S	*	.			trans	-72.8	111.8	172.4	-173.3	177.8	-179.8	-179.3	0	109.5
260	V	97.7	Very high	97.1	Very high	7 Å²	7	74.1 Å²	74.1	4%	0.042	34%	0.343	C	S	.	.			trans	-123.6	142.7	174.9	-172.8	0	0	0	0	107.9	V237 F256 R258 C264 Q265	V237-V260 HydrophobicContact CB-CG1 4.4Å; V237-V260 HydrophobicContact CB-CG2 4.48Å; V237-V260 HydrophobicContact CG2-CG1 3.97Å; V237-V260 HydrophobicContact CG2-CG2 4.07Å; F256-V260 HydrophobicContact CD1-CB 4.12Å; F256-V260 HydrophobicContact CD1-CG2 3.9Å; R258-V260 PolarHBondContact O-N 3.41Å; V260-C264 HydrophobicContact CG1-CB 3.57Å; V260-Q265 HydrophobicContact CB-CG 4.11Å; V260-Q265 HydrophobicContact CG1-CG 4.3Å; V260-Q265 PolarHBondContact O-NE2 3.05Å
261	S	98.1	Very high	97.1	Very high	33 Å²	33	72.7 Å²	72.7	23%	0.231	33%	0.334	C	S	.	.			trans	-56.1	149.7	179	70.3	0	0	0	0	112.2	E141 E263 C264 Q265	E141-S261 WeakPolarHBondContact OE1-CB 3.36Å; E141-S261 PolarHBondContact OE1-N 3.24Å; E141-S261 PolarHBondContact OE1-OG 2.79Å; E141-S261 WeakPolarHBondContact OE2-CB 3.33Å; E141-S261 PolarHBondContact OE2-OG 2.77Å; S261-E263 PolarHBondContact O-N 3.35Å; S261-C264 PolarHBondContact O-N 3.29Å; S261-C264 VanDerWaalsContact OG-CB 3.28Å; S261-C264 WeakPolarHBondContact OG-CB 3.28Å; S261-C264 PolarHBondContact OG-N 2.91Å; S261-Q265 WeakPolarHBondContact O-CG 3.49Å; S261-Q265 PolarHBondContact O-N 2.91Å
262	T	98	Very high	97.2	Very high	88 Å²	88	66.9 Å²	66.9	54%	0.54	31%	0.309	S	S	.	.	H	α-helix	trans	-57.9	-39.7	179.7	-56.9	0	0	0	0	110.9	Q265 Q266	T262-Q265 PolarHBondContact O-N 3.17Å; T262-Q266 HydrophobicContact CG2-CG 4.48Å; T262-Q266 WeakPolarHBondContact O-CB 3.47Å; T262-Q266 WeakPolarHBondContact O-CG 3.31Å; T262-Q266 PolarHBondContact O-N 2.87Å
263	E	98.3	Very high	97.3	Very high	74 Å²	74	67.6 Å²	67.6	35%	0.346	31%	0.313	S	S	.	.	H	α-helix	trans	-67	-41.2	-179.4	-60.5	77.1	-174.1	0	0	111.5	S261 Q266 L267 H288 W290	S261-E263 PolarHBondContact O-N 3.35Å; E263-Q266 PolarHBondContact O-N 2.61Å; E263-L267 PolarHBondContact O-N 3.47Å; E263-L267 VanDerWaalsContact O-N 3.11Å; E263-H288 PolarHBondContact O-CE1 3.33Å; E263-W290 HydrophobicContact CB-CB 3.89Å; E263-W290 HydrophobicContact CB-CG 4.42Å
264	C	98.7	Very high	97.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.8	-44	175.4	-169.4	0	0	0	0	111.1	V260 S261 Q266 L267 I268 W290	V260-C264 HydrophobicContact CG1-CB 3.57Å; S261-C264 PolarHBondContact O-N 3.29Å; S261-C264 VanDerWaalsContact OG-CB 3.28Å; S261-C264 WeakPolarHBondContact OG-CB 3.28Å; S261-C264 PolarHBondContact OG-N 2.91Å; C264-Q266 VanDerWaalsContact C-N 3.28Å; C264-Q266 PolarHBondContact O-N 3.15Å; C264-L267 PolarHBondContact O-N 3.01Å; C264-I268 WeakPolarHBondContact O-CG1 3.33Å; C264-I268 PolarHBondContact O-N 2.99Å; C264-W290 VanDerWaalsContact CB-CD1 3.49Å; C264-W290 HydrophobicContact CB-CD2 4.19Å; C264-W290 HydrophobicContact CB-CG 4.03Å; C264-W290 HydrophobicContact CB-CZ2 4.43Å; C264-W290 VanDerWaalsContact CB-NE1 3.33Å
265	Q	98.8	Very high	97.5	Very high	50 Å²	50	71.5 Å²	71.5	23%	0.234	33%	0.325	C	S	.	.	H	α-helix	trans	-59.7	-40.2	176.4	-68.4	-174	41.6	0	0	112	F256 V260 S261 T262 K269	F256-Q265 HydrophobicContact CD1-CG 3.9Å; F256-Q265 HydrophobicContact CD2-CG 3.92Å; F256-Q265 HydrophobicContact CE1-CB 4.32Å; F256-Q265 HydrophobicContact CE1-CG 3.72Å; F256-Q265 HydrophobicContact CE2-CB 3.99Å; F256-Q265 HydrophobicContact CE2-CG 3.78Å; F256-Q265 HydrophobicContact CG-CG 3.99Å; F256-Q265 HydrophobicContact CZ-CB 3.83Å; F256-Q265 HydrophobicContact CZ-CG 3.66Å; V260-Q265 HydrophobicContact CB-CG 4.11Å; V260-Q265 HydrophobicContact CG1-CG 4.3Å; V260-Q265 PolarHBondContact O-NE2 3.05Å; S261-Q265 WeakPolarHBondContact O-CG 3.49Å; S261-Q265 PolarHBondContact O-N 2.91Å; T262-Q265 PolarHBondContact O-N 3.17Å; Q265-K269 WeakPolarHBondContact O-CB 3.4Å; Q265-K269 VanDerWaalsContact O-CG 3.24Å; Q265-K269 WeakPolarHBondContact O-CG 3.35Å; Q265-K269 PolarHBondContact O-N 2.96Å
266	Q	98.6	Very high	97.6	Very high	103 Å²	103	67.2 Å²	67.2	48%	0.481	31%	0.305	S	S	.	.	H	α-helix	trans	-60.3	-48.5	175.5	-77.9	167.8	-13.1	0	0	111.2	T262 E263 C264 K269 W270	T262-Q266 HydrophobicContact CG2-CG 4.48Å; T262-Q266 WeakPolarHBondContact O-CB 3.47Å; T262-Q266 WeakPolarHBondContact O-CG 3.31Å; T262-Q266 PolarHBondContact O-N 2.87Å; E263-Q266 PolarHBondContact O-N 2.61Å; C264-Q266 VanDerWaalsContact C-N 3.28Å; C264-Q266 PolarHBondContact O-N 3.15Å; Q266-K269 PolarHBondContact O-N 3.43Å; Q266-W270 WeakPolarHBondContact O-CB 3.33Å; Q266-W270 PolarHBondContact O-N 2.99Å
267	L	98.9	Very high	97.7	Very high	0 Å²	0	69.9 Å²	69.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.6	-47.6	178.7	-177.5	54.6	0	0	0	112.1	F148 L233 E263 C264 K269 W270 C271 I285 H288 W290 M291	F148-L267 HydrophobicContact CE1-CD2 4.43Å; L233-L267 HydrophobicContact CD2-CD2 3.83Å; L233-L267 HydrophobicContact CD2-CG 4.04Å; E263-L267 PolarHBondContact O-N 3.47Å; E263-L267 VanDerWaalsContact O-N 3.11Å; C264-L267 PolarHBondContact O-N 3.01Å; L267-K269 PolarHBondContact O-N 3.35Å; L267-W270 PolarHBondContact O-N 3.3Å; L267-C271 PolarHBondContact O-N 2.75Å; L267-C271 PolarHBondContact O-SG 3.21Å; L267-I285 HydrophobicContact CD1-CB 4.44Å; L267-I285 HydrophobicContact CD1-CG1 4.26Å; L267-I285 HydrophobicContact CD1-CG2 4.16Å; L267-I285 HydrophobicContact CD2-CG2 4.34Å; L267-H288 HydrophobicContact CD1-CB 3.98Å; L267-H288 HydrophobicContact CD2-CB 4.38Å; L267-W290 HydrophobicContact CD2-CE3 3.76Å; L267-W290 HydrophobicContact CD2-CZ3 4.43Å; L267-M291 HydrophobicContact CD2-CG 4.08Å
268	I	98.9	Very high	98.1	Very high	0 Å²	0	65.6 Å²	65.6	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-58.3	-50.2	178.2	-70.3	165.7	0	0	0	110.4	L233 Y234 V237 V254 F256 C264 W270 C271 L272	L233-I268 HydrophobicContact CB-CG1 4.18Å; L233-I268 HydrophobicContact CD2-CD1 4.41Å; L233-I268 HydrophobicContact CD2-CG1 3.66Å; L233-I268 HydrophobicContact CG-CD1 4.05Å; L233-I268 HydrophobicContact CG-CG1 3.69Å; Y234-I268 HydrophobicContact CD2-CG2 4.22Å; V237-I268 HydrophobicContact CG2-CD1 3.84Å; V254-I268 HydrophobicContact CG1-CG2 4.28Å; F256-I268 HydrophobicContact CE1-CD1 3.72Å; F256-I268 HydrophobicContact CE1-CG2 4.41Å; F256-I268 HydrophobicContact CZ-CB 4.15Å; F256-I268 HydrophobicContact CZ-CD1 4.17Å; F256-I268 HydrophobicContact CZ-CG2 3.97Å; C264-I268 WeakPolarHBondContact O-CG1 3.33Å; C264-I268 PolarHBondContact O-N 2.99Å; I268-W270 VanDerWaalsContact C-N 3.26Å; I268-W270 PolarHBondContact O-N 3.15Å; I268-C271 PolarHBondContact O-N 2.93Å; I268-L272 HydrophobicContact CG2-CD1 3.8Å; I268-L272 WeakPolarHBondContact O-CB 3.17Å; I268-L272 VanDerWaalsContact O-CG 3.32Å; I268-L272 WeakPolarHBondContact O-CG 3.45Å; I268-L272 PolarHBondContact O-N 3.2Å
269	K	98.8	Very high	98.4	Very high	101 Å²	101	60 Å²	60	44%	0.439	30%	0.302	S	S	.	.	H	α-helix	trans	-62.7	-33.9	179.4	-72.4	175.9	-171.4	178.5	0	112.3	V254 F256 Q265 Q266 L267 L272 C273	V254-K269 HydrophobicContact CB-CG 4.45Å; F256-K269 HydrophobicContact CE2-CG 4.44Å; Q265-K269 WeakPolarHBondContact O-CB 3.4Å; Q265-K269 VanDerWaalsContact O-CG 3.24Å; Q265-K269 WeakPolarHBondContact O-CG 3.35Å; Q265-K269 PolarHBondContact O-N 2.96Å; Q266-K269 PolarHBondContact O-N 3.43Å; L267-K269 PolarHBondContact O-N 3.35Å; K269-L272 CarbonylContact O-C 3.6Å; K269-L272 PolarHBondContact O-N 3.11Å; K269-C273 PolarHBondContact O-N 3.41Å
270	W	98.8	Very high	98.6	Very high	93 Å²	93	50.1 Å²	50.1	35%	0.352	26%	0.259	S	S	.	.	H	α-helix	trans	-69.5	-43.7	177.9	-166.8	18.7	0	0	0	111.9	Q266 L267 I268 L272 C273 D278 P280 D284 H288	Q266-W270 WeakPolarHBondContact O-CB 3.33Å; Q266-W270 PolarHBondContact O-N 2.99Å; L267-W270 PolarHBondContact O-N 3.3Å; I268-W270 VanDerWaalsContact C-N 3.26Å; I268-W270 PolarHBondContact O-N 3.15Å; W270-L272 PolarHBondContact O-N 3.25Å; W270-C273 PolarHBondContact O-N 3.12Å; W270-C273 PolarHBondContact O-SG 3.12Å; W270-C273 VanDerWaalsContact O-SG 3.32Å; W270-D278 VanDerWaalsContact CD1-O 3.24Å; W270-D278 PolarHBondContact NE1-O 3.35Å; W270-P280 HydrophobicContact CD2-CB 3.71Å; W270-P280 HydrophobicContact CD2-CG 3.79Å; W270-P280 HydrophobicContact CE3-CB 3.77Å; W270-P280 HydrophobicContact CE3-CG 4Å; W270-P280 HydrophobicContact CG-CB 4.42Å; W270-P280 HydrophobicContact CG-CG 4.03Å; W270-P280 HydrophobicContact CH2-CB 3.82Å; W270-P280 HydrophobicContact CZ2-CB 3.73Å; W270-P280 HydrophobicContact CZ3-CB 3.82Å; W270-P280 VanDerWaalsContact O-CD 3.29Å; W270-P280 WeakPolarHBondContact O-CD 3.17Å; W270-D284 HydrophobicContact CH2-CB 3.7Å; W270-D284 HydrophobicContact CZ2-CB 4.46Å; W270-D284 HydrophobicContact CZ3-CB 4.13Å; W270-H288 AromaticContact CE3-CD2 3.98Å
271	C	98.9	Very high	98.6	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-60.6	-35.6	171.7	-68.2	0	0	0	0	112.4	V226 L267 I268 C273 R279	V226-C271 HydrophobicContact CG1-CB 4.08Å; L267-C271 PolarHBondContact O-N 2.75Å; L267-C271 PolarHBondContact O-SG 3.21Å; I268-C271 PolarHBondContact O-N 2.93Å; C271-C273 VanDerWaalsContact C-N 3.33Å; C271-C273 PolarHBondContact O-N 3.47Å; C271-R279 WeakPolarHBondContact O-CD 3.36Å; C271-R279 WeakPolarHBondContact O-CG 3.13Å
272	L	98.9	Very high	98.6	Very high	5 Å²	5	52 Å²	52	3%	0.026	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	24	-178.2	-60.2	178.8	0	0	0	113.7	W227 V231 P242 F243 V254 I268 K269 W270 L274	W227-L272 HydrophobicContact CD2-CD2 3.74Å; W227-L272 HydrophobicContact CE3-CB 4.42Å; W227-L272 HydrophobicContact CE3-CD2 3.92Å; W227-L272 HydrophobicContact CG-CD2 4.21Å; W227-L272 HydrophobicContact CH2-CB 4.47Å; W227-L272 HydrophobicContact CH2-CD2 4.3Å; W227-L272 HydrophobicContact CZ2-CD2 4.12Å; W227-L272 HydrophobicContact CZ3-CB 4.14Å; W227-L272 HydrophobicContact CZ3-CD2 4.21Å; W227-L272 VanDerWaalsContact CZ3-O 3.28Å; W227-L272 WeakPolarHBondContact CZ3-O 3.41Å; W227-L272 WeakPolarHBondContact O-CD2 3.32Å; V231-L272 HydrophobicContact CG2-CD2 3.85Å; P242-L272 HydrophobicContact CG-CD1 4.33Å; F243-L272 HydrophobicContact CE2-CD1 4.09Å; F243-L272 HydrophobicContact CE2-CD2 4.44Å; F243-L272 HydrophobicContact CZ-CD1 4.26Å; V254-L272 HydrophobicContact CG2-CB 4.28Å; V254-L272 HydrophobicContact CG2-CD1 3.69Å; I268-L272 HydrophobicContact CG2-CD1 3.8Å; I268-L272 WeakPolarHBondContact O-CB 3.17Å; I268-L272 VanDerWaalsContact O-CG 3.32Å; I268-L272 WeakPolarHBondContact O-CG 3.45Å; I268-L272 PolarHBondContact O-N 3.2Å; K269-L272 CarbonylContact O-C 3.6Å; K269-L272 PolarHBondContact O-N 3.11Å; W270-L272 PolarHBondContact O-N 3.25Å; L272-L274 PolarHBondContact O-N 2.96Å
273	C	98.8	Very high	98.6	Very high	33 Å²	33	51.8 Å²	51.8	22%	0.223	26%	0.264	C	S	.	.			trans	-62.5	135.9	171	-75	0	0	0	0	111.6	K269 W270 C271 R275 D278 R279	K269-C273 PolarHBondContact O-N 3.41Å; W270-C273 PolarHBondContact O-N 3.12Å; W270-C273 PolarHBondContact O-SG 3.12Å; W270-C273 VanDerWaalsContact O-SG 3.32Å; C271-C273 VanDerWaalsContact C-N 3.33Å; C271-C273 PolarHBondContact O-N 3.47Å; C273-R275 PolarHBondContact O-N 3.36Å; C273-D278 HydrophobicContact CB-CB 3.8Å; C273-R279 HydrophobicContact CB-CG 4.06Å; C273-R279 PolarHBondContact O-NE 2.87Å; C273-R279 PolarHBondContact O-NH2 3.42Å
274	L	98.4	Very high	98.7	Very high	79 Å²	79	51.7 Å²	51.7	41%	0.414	27%	0.265	S	S	.	.	S	Bend	trans	-60.2	-44.2	-179.6	-77.6	173.2	0	0	0	112.7	P211 T250 A252 L272 R279	P211-L274 HydrophobicContact CB-CD2 4.19Å; P211-L274 HydrophobicContact CG-CD2 4.09Å; T250-L274 WeakPolarHBondContact O-CD2 3.39Å; A252-L274 HydrophobicContact CB-CD2 3.43Å; A252-L274 VanDerWaalsContact CB-CD2 3.43Å; A252-L274 HydrophobicContact CB-CG 3.74Å; L272-L274 PolarHBondContact O-N 2.96Å; L274-R279 PolarHBondContact O-NH2 2.94Å
275	R	98.4	Very high	98.7	Very high	165 Å²	165	51.7 Å²	51.7	62%	0.623	27%	0.265	S	S	*	.	S	Bend	trans	-81.5	126.2	177.5	-58.3	-171.1	-56.4	-177.3	6.2	108.7	C273 A277 D278	C273-R275 PolarHBondContact O-N 3.36Å; R275-A277 PolarHBondContact O-N 3.39Å; R275-A277 VanDerWaalsContact O-N 3.14Å; R275-D278 WeakPolarHBondContact CB-OD2 3.24Å; R275-D278 IonicContact CZ-OD1 2.72Å; R275-D278 IonicContact CZ-OD2 2.89Å; R275-D278 IonicContact NE-OD1 3.88Å; R275-D278 IonicContact NE-OD2 3.49Å; R275-D278 PolarHBondContact NE-OD2 3.45Å; R275-D278 IonicContact NH2-OD1 3.54Å; R275-D278 PolarHBondContact NH2-OD1 3.03Å; R275-D278 IonicContact NH2-OD2 2.69Å; R275-D278 PolarHBondContact NH2-OD2 3.48Å; R275-D278 PolarHBondContact O-N 2.99Å
276	P	98.6	Very high	98.6	Very high	44 Å²	44	51 Å²	51	29%	0.286	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-58.1	-31.3	-178.7	-27.9	36.5	0	0	0	114.1	E212 D278 R279	E212-P276 HydrophobicContact CB-CG 4.46Å; E212-P276 VanDerWaalsContact CD-CG 3.48Å; E212-P276 HydrophobicContact CG-CG 4.1Å; E212-P276 WeakPolarHBondContact OE1-CG 3.37Å; P276-D278 VanDerWaalsContact C-N 3.29Å; P276-D278 PolarHBondContact O-N 2.9Å; P276-R279 PolarHBondContact O-N 3.44Å
277	A	98.3	Very high	98.5	Very high	97 Å²	97	50.3 Å²	50.3	80%	0.802	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-73.8	-15.8	-179.8	0	0	0	0	0	114.3	R275	R275-A277 PolarHBondContact O-N 3.39Å; R275-A277 VanDerWaalsContact O-N 3.14Å
278	D	98.6	Very high	98.5	Very high	58 Å²	58	51.5 Å²	51.5	31%	0.31	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-88.5	-11.7	177	-64.5	-23.1	0	0	0	112.4	W270 C273 R275 P276	W270-D278 VanDerWaalsContact CD1-O 3.24Å; W270-D278 PolarHBondContact NE1-O 3.35Å; C273-D278 HydrophobicContact CB-CB 3.8Å; R275-D278 WeakPolarHBondContact CB-OD2 3.24Å; R275-D278 IonicContact CZ-OD1 2.72Å; R275-D278 IonicContact CZ-OD2 2.89Å; R275-D278 IonicContact NE-OD1 3.88Å; R275-D278 IonicContact NE-OD2 3.49Å; R275-D278 PolarHBondContact NE-OD2 3.45Å; R275-D278 IonicContact NH2-OD1 3.54Å; R275-D278 PolarHBondContact NH2-OD1 3.03Å; R275-D278 IonicContact NH2-OD2 2.69Å; R275-D278 PolarHBondContact NH2-OD2 3.48Å; R275-D278 PolarHBondContact O-N 2.99Å; P276-D278 VanDerWaalsContact C-N 3.29Å; P276-D278 PolarHBondContact O-N 2.9Å
279	R	98.8	Very high	98.5	Very high	17 Å²	17	55 Å²	55	6%	0.064	29%	0.293	C	S	.	.	S	Bend	trans	-72.3	143.8	179.9	-61.9	-178.8	-165.8	143.1	11.3	109.9	E212 S223 V226 C271 C273 L274 P276	E212-R279 IonicContact OE1-CZ 3.53Å; E212-R279 IonicContact OE1-NH1 4Å; E212-R279 PolarHBondContact OE1-NH1 3.38Å; E212-R279 IonicContact OE1-NH2 3.65Å; E212-R279 PolarHBondContact OE1-NH2 3.41Å; E212-R279 IonicContact OE2-CZ 2.81Å; E212-R279 IonicContact OE2-NH1 2.64Å; E212-R279 IonicContact OE2-NH2 3.48Å; E212-R279 PolarHBondContact OE2-NH2 2.91Å; S223-R279 WeakPolarHBondContact O-CD 3.36Å; S223-R279 PolarHBondContact O-NH1 3.32Å; V226-R279 HydrophobicContact CB-CB 4.47Å; V226-R279 HydrophobicContact CG1-CB 3.84Å; C271-R279 WeakPolarHBondContact O-CD 3.36Å; C271-R279 WeakPolarHBondContact O-CG 3.13Å; C273-R279 HydrophobicContact CB-CG 4.06Å; C273-R279 PolarHBondContact O-NE 2.87Å; C273-R279 PolarHBondContact O-NH2 3.42Å; L274-R279 PolarHBondContact O-NH2 2.94Å; P276-R279 PolarHBondContact O-N 3.44Å
280	P	98.8	Very high	98.4	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.032	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-65.2	154.9	179.1	26.3	-32.7	0	0	0	111.7	V226 W270 D284 I285	V226-P280 HydrophobicContact CG1-CG 4.01Å; V226-P280 WeakPolarHBondContact CG2-O 3.43Å; W270-P280 HydrophobicContact CD2-CB 3.71Å; W270-P280 HydrophobicContact CD2-CG 3.79Å; W270-P280 HydrophobicContact CE3-CB 3.77Å; W270-P280 HydrophobicContact CE3-CG 4Å; W270-P280 HydrophobicContact CG-CB 4.42Å; W270-P280 HydrophobicContact CG-CG 4.03Å; W270-P280 HydrophobicContact CH2-CB 3.82Å; W270-P280 HydrophobicContact CZ2-CB 3.73Å; W270-P280 HydrophobicContact CZ3-CB 3.82Å; W270-P280 VanDerWaalsContact O-CD 3.29Å; W270-P280 WeakPolarHBondContact O-CD 3.17Å; P280-D284 HydrophobicContact CB-CB 3.74Å; P280-I285 HydrophobicContact CB-CG1 3.89Å; P280-I285 HydrophobicContact CG-CD1 4.09Å; P280-I285 HydrophobicContact CG-CG1 3.6Å
281	S	98.7	Very high	98.4	Very high	55 Å²	55	46 Å²	46	39%	0.385	26%	0.256	S	S	.	.	P	Polyproline II helix	trans	-72.2	165.4	161.9	75	0	0	0	0	110.9	E283 D284 I285	S281-E283 PolarHBondContact O-N 3.24Å; S281-E283 PolarHBondContact OG-N 2.93Å; S281-D284 VanDerWaalsContact CB-OD2 3.22Å; S281-D284 WeakPolarHBondContact CB-OD2 3.39Å; S281-D284 PolarHBondContact N-OD2 3.37Å; S281-D284 WeakPolarHBondContact O-CB 3.42Å; S281-D284 PolarHBondContact O-N 2.94Å; S281-D284 VanDerWaalsContact O-N 3.15Å; S281-D284 PolarHBondContact OG-N 3.12Å; S281-D284 VanDerWaalsContact OG-N 3.15Å; S281-D284 PolarHBondContact OG-OD2 3.16Å; S281-I285 WeakPolarHBondContact O-CG1 3.49Å; S281-I285 PolarHBondContact O-N 3.17Å
282	L	98.4	Very high	98.1	Very high	24 Å²	24	50.9 Å²	50.9	13%	0.126	28%	0.279	C	S	.	.	H	α-helix	trans	-59.4	-32	174.2	-63.2	179.4	0	0	0	112.3	L152 V155 R156 V226 L229 I285 I286	L152-L282 HydrophobicContact CD2-CD2 4.09Å; V155-L282 HydrophobicContact CG1-CD1 3.93Å; V155-L282 HydrophobicContact CG1-CD2 4.35Å; R156-L282 HydrophobicContact CG-CB 4.16Å; R156-L282 HydrophobicContact CG-CD1 3.72Å; V226-L282 HydrophobicContact CG2-CD2 4.29Å; L229-L282 HydrophobicContact CD1-CD2 3.63Å; L282-I285 HydrophobicContact CD2-CD1 4.36Å; L282-I286 WeakPolarHBondContact O-CD1 3.43Å; L282-I286 VanDerWaalsContact O-CG1 3.31Å; L282-I286 WeakPolarHBondContact O-CG1 3.21Å; L282-I286 PolarHBondContact O-N 3.1Å; L282-I286 VanDerWaalsContact O-N 3.12Å
283	E	98.1	Very high	97.4	Very high	84 Å²	84	53.9 Å²	53.9	39%	0.393	30%	0.295	S	S	.	.	H	α-helix	trans	-71.5	-39.8	177.1	-170.2	58.7	-147.1	0	0	111.1	R156 S281 I285 I286 N287	R156-E283 IonicContact CZ-OE2 3.53Å; R156-E283 IonicContact NH1-OE2 2.75Å; R156-E283 PolarHBondContact NH1-OE2 2.92Å; R156-E283 IonicContact NH2-OE2 3.63Å; S281-E283 PolarHBondContact O-N 3.24Å; S281-E283 PolarHBondContact OG-N 2.93Å; E283-I285 VanDerWaalsContact C-N 3.34Å; E283-I285 PolarHBondContact O-N 3.22Å; E283-I286 PolarHBondContact O-N 3.28Å; E283-N287 WeakPolarHBondContact O-CB 3.46Å; E283-N287 PolarHBondContact O-N 3.48Å; E283-N287 PolarHBondContact O-ND2 3.38Å; E283-N287 PolarHBondContact OE1-ND2 3.47Å
284	D	98.6	Very high	95.7	Very high	72 Å²	72	58.4 Å²	58.4	39%	0.385	32%	0.322	S	S	.	.	H	α-helix	trans	-62.7	-41	174.4	-60.4	-47.2	0	0	0	111.6	W270 P280 S281 N287 H288	W270-D284 HydrophobicContact CH2-CB 3.7Å; W270-D284 HydrophobicContact CZ2-CB 4.46Å; W270-D284 HydrophobicContact CZ3-CB 4.13Å; P280-D284 HydrophobicContact CB-CB 3.74Å; S281-D284 VanDerWaalsContact CB-OD2 3.22Å; S281-D284 WeakPolarHBondContact CB-OD2 3.39Å; S281-D284 PolarHBondContact N-OD2 3.37Å; S281-D284 WeakPolarHBondContact O-CB 3.42Å; S281-D284 PolarHBondContact O-N 2.94Å; S281-D284 VanDerWaalsContact O-N 3.15Å; S281-D284 PolarHBondContact OG-N 3.12Å; S281-D284 VanDerWaalsContact OG-N 3.15Å; S281-D284 PolarHBondContact OG-OD2 3.16Å; D284-N287 CarbonylContact O-C 3.6Å; D284-N287 PolarHBondContact O-N 3.09Å; D284-H288 PolarHBondContact O-N 2.84Å
285	I	98.7	Very high	93.7	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.9	-48.9	175.3	-65.7	171.3	0	0	0	110.2	F148 L152 V226 L267 P280 S281 L282 E283 N287 H288 M291	F148-I285 HydrophobicContact CE1-CG2 3.78Å; F148-I285 HydrophobicContact CZ-CG2 4.47Å; L152-I285 HydrophobicContact CD1-CG2 3.56Å; L152-I285 HydrophobicContact CD2-CB 4.45Å; L152-I285 HydrophobicContact CD2-CD1 4.32Å; L152-I285 HydrophobicContact CD2-CG2 3.84Å; L152-I285 HydrophobicContact CG-CG2 4.35Å; V226-I285 HydrophobicContact CG1-CD1 4.13Å; V226-I285 HydrophobicContact CG2-CD1 4.3Å; L267-I285 HydrophobicContact CD1-CB 4.44Å; L267-I285 HydrophobicContact CD1-CG1 4.26Å; L267-I285 HydrophobicContact CD1-CG2 4.16Å; L267-I285 HydrophobicContact CD2-CG2 4.34Å; P280-I285 HydrophobicContact CB-CG1 3.89Å; P280-I285 HydrophobicContact CG-CD1 4.09Å; P280-I285 HydrophobicContact CG-CG1 3.6Å; S281-I285 WeakPolarHBondContact O-CG1 3.49Å; S281-I285 PolarHBondContact O-N 3.17Å; L282-I285 HydrophobicContact CD2-CD1 4.36Å; E283-I285 VanDerWaalsContact C-N 3.34Å; E283-I285 PolarHBondContact O-N 3.22Å; I285-N287 VanDerWaalsContact C-N 3.27Å; I285-N287 PolarHBondContact O-N 3.1Å; I285-H288 WeakPolarHBondContact O-CB 3.3Å; I285-H288 PolarHBondContact O-N 3.17Å; I285-H288 VanDerWaalsContact O-N 3.12Å; I285-M291 WeakPolarHBondContact O-CG 3.12Å
286	I	97.2	Very high	91.1	Very high	35 Å²	35	55.4 Å²	55.4	18%	0.179	33%	0.33	C	S	.	.	H	α-helix	trans	-61.1	-39.5	-179.1	-73.5	165.7	0	0	0	111	L152 R156 L282 E283 H288 M291 Q292	L152-I286 HydrophobicContact CB-CG1 4.46Å; L152-I286 HydrophobicContact CD1-CG1 4.11Å; R156-I286 VanDerWaalsContact CD-CD1 3.42Å; L282-I286 WeakPolarHBondContact O-CD1 3.43Å; L282-I286 VanDerWaalsContact O-CG1 3.31Å; L282-I286 WeakPolarHBondContact O-CG1 3.21Å; L282-I286 PolarHBondContact O-N 3.1Å; L282-I286 VanDerWaalsContact O-N 3.12Å; E283-I286 PolarHBondContact O-N 3.28Å; I286-H288 VanDerWaalsContact C-N 3.29Å; I286-H288 PolarHBondContact O-N 2.76Å; I286-M291 VanDerWaalsContact O-CB 3.3Å; I286-M291 WeakPolarHBondContact O-CB 3.35Å; I286-Q292 PolarHBondContact O-NE2 2.82Å
287	N	97.8	Very high	88.2	Confident	90 Å²	90	57.3 Å²	57.3	48%	0.481	34%	0.344	S	S	.	.	H	α-helix	trans	-82.8	-3.4	179.7	-67	-45.6	0	0	0	113.8	E283 D284 I285	E283-N287 WeakPolarHBondContact O-CB 3.46Å; E283-N287 PolarHBondContact O-N 3.48Å; E283-N287 PolarHBondContact O-ND2 3.38Å; E283-N287 PolarHBondContact OE1-ND2 3.47Å; D284-N287 CarbonylContact O-C 3.6Å; D284-N287 PolarHBondContact O-N 3.09Å; I285-N287 VanDerWaalsContact C-N 3.27Å; I285-N287 PolarHBondContact O-N 3.1Å
288	H	98.6	Very high	85.2	Confident	24 Å²	24	58.9 Å²	58.9	11%	0.111	34%	0.344	C	S	.	.	S	Bend	trans	-61.3	141.4	178	-170.6	-89.4	0	0	0	111.2	E263 L267 W270 D284 I285 I286 W290 M291 Q292	E263-H288 PolarHBondContact O-CE1 3.33Å; L267-H288 HydrophobicContact CD1-CB 3.98Å; L267-H288 HydrophobicContact CD2-CB 4.38Å; W270-H288 AromaticContact CE3-CD2 3.98Å; D284-H288 PolarHBondContact O-N 2.84Å; I285-H288 WeakPolarHBondContact O-CB 3.3Å; I285-H288 PolarHBondContact O-N 3.17Å; I285-H288 VanDerWaalsContact O-N 3.12Å; I286-H288 VanDerWaalsContact C-N 3.29Å; I286-H288 PolarHBondContact O-N 2.76Å; H288-W290 WeakPolarHBondContact ND1-CB 3.28Å; H288-W290 PolarHBondContact ND1-N 3.22Å; H288-W290 VanDerWaalsContact ND1-N 3.17Å; H288-W290 PolarHBondContact O-N 3.29Å; H288-W290 VanDerWaalsContact O-N 3.1Å; H288-M291 WeakPolarHBondContact O-CA 3.46Å; H288-M291 WeakPolarHBondContact O-CB 3.28Å; H288-M291 PolarHBondContact O-N 3.2Å; H288-Q292 PolarHBondContact O-N 2.73Å
289	S	97.4	Very high	82.3	Confident	75 Å²	75	61.3 Å²	61.3	52%	0.524	36%	0.361	S	S	.	.	H	α-helix	trans	-53.8	-38.6	-175.8	-53.2	0	0	0	0	113.1	M291 Q292 N293	S289-M291 VanDerWaalsContact C-N 3.29Å; S289-M291 PolarHBondContact O-N 2.83Å; S289-Q292 PolarHBondContact O-N 2.58Å; S289-Q292 VanDerWaalsContact O-N 3.17Å; S289-N293 PolarHBondContact O-N 3.38Å; S289-N293 PolarHBondContact O-OD1 3.18Å
290	W	98.3	Very high	79.5	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	39%	0.394	C	S	.	.	H	α-helix	trans	-58.6	-38.2	174.6	-172.6	76.6	0	0	0	113.1	E141 A144 R145 F148 L233 E263 C264 L267 H288	E141-W290 HydrophobicContact CB-CZ2 4.12Å; E141-W290 HydrophobicContact CG-CZ2 4.44Å; E141-W290 PolarHBondContact OE2-NE1 2.73Å; A144-W290 HydrophobicContact CB-CH2 4.34Å; R145-W290 VanDerWaalsContact CA-CH2 3.45Å; R145-W290 HydrophobicContact CB-CH2 3.63Å; R145-W290 HydrophobicContact CB-CZ2 3.92Å; R145-W290 HydrophobicContact CB-CZ3 4Å; R145-W290 VanDerWaalsContact CD-O 3.28Å; R145-W290 WeakPolarHBondContact CD-O 3.35Å; R145-W290 HydrophobicContact CG-CE3 4.38Å; R145-W290 HydrophobicContact CG-CH2 4.28Å; R145-W290 HydrophobicContact CG-CZ3 4.14Å; R145-W290 PolarHBondContact NE-O 2.68Å; R145-W290 VanDerWaalsContact NH2-NE1 3.2Å; F148-W290 HydrophobicContact CD1-CZ3 4.24Å; L233-W290 HydrophobicContact CD1-CH2 3.45Å; L233-W290 VanDerWaalsContact CD1-CH2 3.45Å; L233-W290 HydrophobicContact CD1-CZ2 4.33Å; L233-W290 HydrophobicContact CD1-CZ3 3.68Å; L233-W290 HydrophobicContact CD2-CE3 4.46Å; L233-W290 HydrophobicContact CD2-CZ3 4.09Å; E263-W290 HydrophobicContact CB-CB 3.89Å; E263-W290 HydrophobicContact CB-CG 4.42Å; C264-W290 VanDerWaalsContact CB-CD1 3.49Å; C264-W290 HydrophobicContact CB-CD2 4.19Å; C264-W290 HydrophobicContact CB-CG 4.03Å; C264-W290 HydrophobicContact CB-CZ2 4.43Å; C264-W290 VanDerWaalsContact CB-NE1 3.33Å; L267-W290 HydrophobicContact CD2-CE3 3.76Å; L267-W290 HydrophobicContact CD2-CZ3 4.43Å; H288-W290 WeakPolarHBondContact ND1-CB 3.28Å; H288-W290 PolarHBondContact ND1-N 3.22Å; H288-W290 VanDerWaalsContact ND1-N 3.17Å; H288-W290 PolarHBondContact O-N 3.29Å; H288-W290 VanDerWaalsContact O-N 3.1Å
291	M	97.6	Very high	76.6	Confident	3 Å²	3	70.7 Å²	70.7	2%	0.015	43%	0.426	C	S	.	.	H	α-helix	trans	-75.3	-25.1	178.8	-70.3	-59	-68.4	0	0	113	R145 F148 R149 L152 L267 I285 I286 H288 S289	R145-M291 HydrophobicContact CG-SD 4.1Å; F148-M291 HydrophobicContact CD1-CE 4.28Å; F148-M291 HydrophobicContact CD1-SD 3.82Å; R149-M291 HydrophobicContact CB-CE 3.71Å; R149-M291 HydrophobicContact CG-CE 4.21Å; R149-M291 PolarHBondContact NH2-O 2.73Å; L152-M291 HydrophobicContact CD1-CE 3.73Å; L152-M291 HydrophobicContact CD1-SD 4.49Å; L267-M291 HydrophobicContact CD2-CG 4.08Å; I285-M291 WeakPolarHBondContact O-CG 3.12Å; I286-M291 VanDerWaalsContact O-CB 3.3Å; I286-M291 WeakPolarHBondContact O-CB 3.35Å; H288-M291 WeakPolarHBondContact O-CA 3.46Å; H288-M291 WeakPolarHBondContact O-CB 3.28Å; H288-M291 PolarHBondContact O-N 3.2Å; S289-M291 VanDerWaalsContact C-N 3.29Å; S289-M291 PolarHBondContact O-N 2.83Å
292	Q	93	Very high	73.7	Confident	103 Å²	103	73.3 Å²	73.3	48%	0.481	44%	0.44	S	S	.	.	H	α-helix	trans	-86.9	-11.2	-179.6	-61.4	-59.7	-38.6	0	0	113.3	I286 H288 S289 T294	I286-Q292 PolarHBondContact O-NE2 2.82Å; H288-Q292 PolarHBondContact O-N 2.73Å; S289-Q292 PolarHBondContact O-N 2.58Å; S289-Q292 VanDerWaalsContact O-N 3.17Å; Q292-T294 PolarHBondContact O-N 3.32Å
293	N	83.6	Confident	70.8	Confident	69 Å²	69	79 Å²	79	37%	0.369	48%	0.475	S	S	.	.			trans	-65.4	97.7	179	-80.5	-12.4	0	0	0	111.6	R145 S289 S295	R145-N293 PolarHBondContact NH1-O 3.47Å; S289-N293 PolarHBondContact O-N 3.38Å; S289-N293 PolarHBondContact O-OD1 3.18Å; N293-S295 PolarHBondContact O-N 3.35Å
294	T	63.2	Low	67.8	Low	127 Å²	127	82 Å²	82	78%	0.779	49%	0.489	S	S	*	.			trans	-88.1	76.4	164.8	58.9	0	0	0	0	108.4	Q292	Q292-T294 PolarHBondContact O-N 3.32Å
295	S	57	Low	64.8	Low	69 Å²	69	84.7 Å²	84.7	48%	0.483	51%	0.508	S	S	.	.			trans	-58.9	127.9	160.7	-56.3	0	0	0	0	106.7	N293 S297	N293-S295 PolarHBondContact O-N 3.35Å; S295-S297 PolarHBondContact O-N 2.87Å; S295-S297 VanDerWaalsContact O-N 3.13Å
296	P	43	Very low	61.7	Low	112 Å²	112	93.4 Å²	93.4	73%	0.727	55%	0.549	S	S	*	.			trans	-59.3	123.3	178.1	21.8	-30	0	0	0	108.1	V298	P296-V298 PolarHBondContact O-N 2.88Å
297	S	37.8	Very low	58.9	Low	84 Å²	84	101.4 Å²	101.4	59%	0.587	58%	0.583	S	S	*	*			trans	-53.2	105.4	176.4	-57.8	0	0	0	0	108.9	S295 V299	S295-S297 PolarHBondContact O-N 2.87Å; S295-S297 VanDerWaalsContact O-N 3.13Å; S297-V299 PolarHBondContact O-N 3.13Å
298	V	37	Very low	55.7	Low	130 Å²	130	102.3 Å²	102.3	79%	0.788	60%	0.596	S	S	*	*			trans	-75.8	81.4	162.9	-174.7	0	0	0	0	105	P296 P300	P296-V298 PolarHBondContact O-N 2.88Å; V298-P300 WeakPolarHBondContact O-CD 3.22Å
299	V	37.4	Very low	52.7	Low	109 Å²	109	107.2 Å²	107.2	66%	0.661	63%	0.63	S	S	*	*			trans	-59.2	119.7	163.7	-134	0	0	0	0	105.4	S297 S301	S297-V299 PolarHBondContact O-N 3.13Å; V299-S301 VanDerWaalsContact C-N 3.25Å; V299-S301 PolarHBondContact O-N 3.44Å
300	P	39.7	Very low	49.5	Very low	119 Å²	119	108.1 Å²	108.1	77%	0.773	64%	0.642	S	S	*	*			trans	-67.6	95.6	169.3	-12.6	28.5	0	0	0	106.9	V298 T302	V298-P300 WeakPolarHBondContact O-CD 3.22Å; P300-T302 PolarHBondContact O-N 3.33Å
301	S	38.6	Very low	46.4	Very low	100 Å²	100	116.9 Å²	116.9	70%	0.699	68%	0.683	S	S	*	*			trans	-58.9	132.1	162	-62.4	0	0	0	0	107.7	V299	V299-S301 VanDerWaalsContact C-N 3.25Å; V299-S301 PolarHBondContact O-N 3.44Å
302	T	37.1	Very low	43.3	Very low	111 Å²	111	124.5 Å²	124.5	68%	0.681	72%	0.722	S	S	*	*			trans	82.3	86.5	172.2	65.9	0	0	0	0	117.7	P300 Q304	P300-T302 PolarHBondContact O-N 3.33Å; T302-Q304 VanDerWaalsContact C-N 3.3Å; T302-Q304 PolarHBondContact O-N 3.12Å
303	V	36.7	Very low	40.3	Very low	143 Å²	143	129.9 Å²	129.9	87%	0.867	74%	0.738	S	S	*	*			trans	-74.7	96.3	133.3	177.8	0	0	0	0	105.6	T305	V303-T305 PolarHBondContact O-N 3.33Å
304	Q	34.9	Very low	37.7	Very low	147 Å²	147	134.4 Å²	134.4	69%	0.687	76%	0.761	S	S	*	*			trans	-65.3	121.4	165.6	-66.1	-172.4	1.6	0	0	107.7	T302 E306	T302-Q304 VanDerWaalsContact C-N 3.3Å; T302-Q304 PolarHBondContact O-N 3.12Å; Q304-E306 PolarHBondContact O-N 2.92Å; Q304-E306 VanDerWaalsContact O-N 3.12Å
305	T	36.2	Very low	36.1	Very low	128 Å²	128	136.6 Å²	136.6	79%	0.785	76%	0.763	S	S	*	*			trans	-67.8	99.5	166	46.5	0	0	0	0	108.8	V303	V303-T305 PolarHBondContact O-N 3.33Å
306	E	33.3	Very low	34.7	Very low	183 Å²	183	138.7 Å²	138.7	86%	0.855	78%	0.777	S	S	*	*			trans	-81.4	111.9	156.4	-73.9	-164.4	163.6	0	0	108.6	Q304	Q304-E306 PolarHBondContact O-N 2.92Å; Q304-E306 VanDerWaalsContact O-N 3.12Å
307	K	37.9	Very low	34.1	Very low	203 Å²	203	141.8 Å²	141.8	88%	0.883	79%	0.786	S	S	*	*			trans	-76.3	125.1	164.8	-77.8	177.9	174	177.7	0	108.6
308	S	30.7	Very low	33.6	Very low	110 Å²	110	142.2 Å²	142.2	77%	0.769	79%	0.794	S	S	*	*			trans	-152.8	132.5	142.5	-171.7	0	0	0	0	110.2
309	P	35.5	Very low	33.6	Very low	127 Å²	127	145 Å²	145	83%	0.825	80%	0.798	S	S	*	*			trans	-87.5	119.4	-179.3	32.8	-27.7	0	0	0	110.4
310	A	31.3	Very low	33.3	Very low	94 Å²	94	148.8 Å²	148.8	78%	0.777	81%	0.809	S	S	*	*			trans	-116.5	120.8	164.7	0	0	0	0	0	109.1
311	E	32.7	Very low	33	Very low	184 Å²	184	148.8 Å²	148.8	86%	0.86	81%	0.809	S	S	*	*			trans	-54.6	130.5	177.8	-65.5	173.9	138.8	0	0	111.8
312	I	32.1	Very low	33.1	Very low	162 Å²	162	149.1 Å²	149.1	83%	0.831	82%	0.817	S	S	*	*			trans	-92.5	107.5	169.4	-61	173.2	0	0	0	107.8
313	R	29.8	Very low	32.8	Very low	216 Å²	216	148.5 Å²	148.5	82%	0.815	82%	0.824	S	S	*	*			trans	-78.8	120.3	163.1	-80.4	-176.9	178	-179.8	-0.3	109.1	H315	R313-H315 PolarHBondContact O-N 2.83Å
314	L	29.2	Very low	32.6	Very low	164 Å²	164	151 Å²	151	86%	0.859	82%	0.823	S	S	*	*			trans	-69.1	119.5	167.7	-81.2	148.8	0	0	0	109.5
315	H	29.2	Very low	32.4	Very low	174 Å²	174	151.3 Å²	151.3	81%	0.806	83%	0.826	S	S	*	*			trans	-97.3	110	163.1	-91.6	-72.2	0	0	0	109.9	R313	R313-H315 PolarHBondContact O-N 2.83Å
316	S	28.8	Very low	32.2	Very low	112 Å²	112	149.9 Å²	149.9	78%	0.783	82%	0.818	S	S	*	*			trans	-59.6	133.5	166	-47.5	0	0	0	0	110.6
317	I	30	Very low	32.2	Very low	177 Å²	177	147.5 Å²	147.5	91%	0.908	82%	0.816	S	S	*	*			trans	-90	114.6	166	-61.2	173.3	0	0	0	107.1
318	A	28.2	Very low	31.9	Very low	93 Å²	93	142.1 Å²	142.1	77%	0.769	81%	0.809	S	S	*	*			trans	-123.1	137.6	163.7	0	0	0	0	0	108.9
319	H	36.1	Very low	32	Very low	189 Å²	189	141.3 Å²	141.3	88%	0.875	81%	0.809	S	S	*	*			trans	-48.2	146.1	176.6	-89.9	-69.2	0	0	0	114.7
320	E	30.2	Very low	32.2	Very low	189 Å²	189	140 Å²	140	88%	0.883	81%	0.809	S	S	*	*			trans	-135.1	155.2	147.4	-91.3	-162.8	157.9	0	0	112.4
321	P	34.3	Very low	32.6	Very low	119 Å²	119	150.9 Å²	150.9	77%	0.773	83%	0.83	S	S	*	*			trans	-103.5	165.6	-157.2	37.1	-26.6	0	0	0	113.9
322	A	40.3	Very low	32.5	Very low	106 Å²	106	149.3 Å²	149.3	88%	0.876	83%	0.829	S	S	*	*			trans	-70.2	140.8	173.7	0	0	0	0	0	112.8
323	A	32.2	Very low	32.6	Very low	98 Å²	98	148.6 Å²	148.6	81%	0.81	83%	0.829	S	S	*	*			trans	-149.2	132.2	158	0	0	0	0	0	112.4
324	F	30.6	Very low	32.7	Very low	196 Å²	196	144.8 Å²	144.8	86%	0.86	83%	0.829	S	S	*	*			trans	-23.7	156.7	154.2	-81.5	-100.1	0	0	0	115.7
325	M	31.4	Very low	32.9	Very low	153 Å²	153	143.7 Å²	143.7	75%	0.754	83%	0.828	S	S	*	*				179.9	143.1	50.2	-142	169.2	171.8	0	0	111.2
326	T	31.3	Very low	33.2	Very low	99 Å²	99	141.8 Å²	141.8	61%	0.607	83%	0.829	S	S	*	*			trans	65.6	125.3	135.3	47.9	0	0	0	0	126
327	T	33.3	Very low	33.5	Very low	132 Å²	132	143.8 Å²	143.8	81%	0.81	83%	0.832	S	S	*	*			trans	65.6	145.2	130.8	59.5	0	0	0	0	120.5
328	A	32.3	Very low	33.7	Very low	90 Å²	90	141.4 Å²	141.4	74%	0.744	83%	0.827	S	S	*	*			cis	-171.9	168.6	6.1	0	0	0	0	0	111.4
329	A	33.6	Very low	34.1	Very low	93 Å²	93	145.2 Å²	145.2	77%	0.769	83%	0.831	S	S	*	*			trans	87.7	125.1	138.9	0	0	0	0	0	123
330	A	39.1	Very low	34	Very low	100 Å²	100	141.5 Å²	141.5	83%	0.826	83%	0.828	S	S	*	*			trans	65.6	130.9	141	0	0	0	0	0	117.8
331	R	38.8	Very low	34.3	Very low	323 Å²	323	137.2 Å²	137.2	100%	1.219	82%	0.822	S	S	*	*			cis	-146.7	0	26.7	-104.4	175.5	178.1	-177.1	-1.2	110.1

Retrieved 331 of 331 residues in 126 ms (Link to these results)

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