Q99PF3_RAT Loading...

DNA repair nuclease/redox regulator APEX1

Initiates repair of AP sites in DNA by catalyzing hydrolytic incision of the phosphodiester backbone immediately adjacent to the damage, generating a single-strand break with 5'-deoxyribose phosphate and 3'-hydroxyl ends.

AlphaFold DB , UniProt , Accession Q99PF3, Species RAT (Rattus norvegicus, Rat), Gene Apex1, Length 289 aa.

Structure Viewer

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	K	37.5	Very low	33.5	Very low	265 Å²	265	149.6 Å²	149.6	100%	1.152	82%	0.823	S	S	*	*				0	117.2	0	-84.6	176.7	172.8	177.8	0	107.5
2	R	31.6	Very low	33.3	Very low	256 Å²	256	150.9 Å²	150.9	97%	0.966	82%	0.815	S	S	*	*			trans	31.3	141.8	150.6	-69.6	179.4	177.1	178.8	-2.2	118.9
3	A	33.4	Very low	33	Very low	88 Å²	88	146.8 Å²	146.8	73%	0.727	80%	0.804	S	S	*	*			cis	-171.9	144.4	5.7	0	0	0	0	0	106.6
4	A	33.8	Very low	32.7	Very low	102 Å²	102	149.1 Å²	149.1	84%	0.843	81%	0.807	S	S	*	*				49.8	141	101.4	0	0	0	0	0	116.1
5	A	36.1	Very low	32.8	Very low	78 Å²	78	146.9 Å²	146.9	65%	0.645	80%	0.803	S	S	*	*			cis	-175.3	161.6	-4.3	0	0	0	0	0	109.5
6	E	34.1	Very low	32.7	Very low	171 Å²	171	148.7 Å²	148.7	80%	0.799	80%	0.804	S	S	*	*			trans	66.4	143.7	146.9	-72.9	164.1	-165.7	0	0	120
7	D	31.9	Very low	32.6	Very low	153 Å²	153	147.5 Å²	147.5	82%	0.818	80%	0.803	S	S	*	*			cis	-169.4	164.5	12.6	-116.8	-20.5	0	0	0	110.4
8	G	29.1	Very low	32.6	Very low	72 Å²	72	150.7 Å²	150.7	74%	0.742	81%	0.808	S	S	*	*			trans	135.3	87.1	149	0	0	0	0	0	120.6
9	E	30.3	Very low	32.7	Very low	203 Å²	203	154 Å²	154	95%	0.949	81%	0.814	S	S	*	*			trans	50.2	120.3	142.5	-76.3	179.7	147.7	0	0	124.7
10	E	31.3	Very low	32.7	Very low	142 Å²	142	152.3 Å²	152.3	66%	0.664	82%	0.815	S	S	*	*			trans	-75.5	173.2	153	-90.7	-164.6	148.1	0	0	111.3	K12	E10-K12 IonicContact OE1-NZ 3.63Å; E10-K12 PolarHBondContact OE1-NZ 3.18Å
11	P	38.9	Very low	32.8	Very low	116 Å²	116	155 Å²	155	75%	0.753	82%	0.82	S	S	*	*			cis	-143.5	166.6	22	29	-3	0	0	0	119.9
12	K	31.3	Very low	32.5	Very low	165 Å²	165	146.1 Å²	146.1	72%	0.717	80%	0.804	S	S	*	*			trans	-31.2	166	150.8	-65.9	161	-176.6	143	0	115.9	E10	E10-K12 IonicContact OE1-NZ 3.63Å; E10-K12 PolarHBondContact OE1-NZ 3.18Å
13	S	30.1	Very low	32.5	Very low	97 Å²	97	138.9 Å²	138.9	68%	0.678	80%	0.799	S	S	*	*			cis	-174.8	151.7	0.6	38.3	0	0	0	0	105.4
14	E	28.3	Very low	32.6	Very low	180 Å²	180	139.2 Å²	139.2	84%	0.841	80%	0.801	S	S	*	*				163.8	157.3	97	-83	-173.5	169.6	0	0	108.2
15	P	34.9	Very low	32.5	Very low	116 Å²	116	143.9 Å²	143.9	75%	0.753	80%	0.803	S	S	*	*			trans	-136	157.6	145.6	37.2	-23.4	0	0	0	115.6
16	E	30	Very low	32.4	Very low	175 Å²	175	149.5 Å²	149.5	82%	0.818	81%	0.813	S	S	*	*			trans	75.9	144.2	155.4	-75.6	-178.9	-171.5	0	0	118.5
17	T	31.4	Very low	32.2	Very low	128 Å²	128	147.4 Å²	147.4	79%	0.785	81%	0.812	S	S	*	*			cis	-163.1	161.9	25.2	17.9	0	0	0	0	111.6
18	K	33.6	Very low	32.5	Very low	206 Å²	206	149.3 Å²	149.3	90%	0.896	82%	0.816	S	S	*	*			trans	-65.3	141.2	177.4	-72.3	172	174	171.8	0	114.5
19	K	32.9	Very low	32.9	Very low	213 Å²	213	155.4 Å²	155.4	93%	0.926	82%	0.822	S	S	*	*			trans	-140	121	147.9	-92.5	-177.1	-178.9	171.3	0	111.5
20	S	33	Very low	33.5	Very low	119 Å²	119	154.7 Å²	154.7	83%	0.832	82%	0.818	S	S	*	*			trans	-73.9	132.4	171.4	50.7	0	0	0	0	112
21	K	36.3	Very low	33.8	Very low	209 Å²	209	152.7 Å²	152.7	91%	0.909	83%	0.826	S	S	*	*			trans	-135.1	132.4	159.6	-83.9	-173	177.6	179.6	0	109.8
22	G	29.9	Very low	33.9	Very low	80 Å²	80	151.8 Å²	151.8	83%	0.825	83%	0.828	S	S	*	*			trans	-61.6	140.5	-170.4	0	0	0	0	0	114.3	A24	G22-A24 PolarHBondContact O-N 3.07Å
23	A	31.1	Very low	34.6	Very low	103 Å²	103	147.8 Å²	147.8	85%	0.851	83%	0.834	S	S	*	*			trans	-71.7	104.8	168.7	0	0	0	0	0	109	K25	A23-K25 PolarHBondContact O-N 3.12Å; A23-K25 VanDerWaalsContact O-N 3.17Å
24	A	36.2	Very low	35.8	Very low	95 Å²	95	151.6 Å²	151.6	79%	0.785	84%	0.841	S	S	*	*			trans	-64.7	111.6	162.4	0	0	0	0	0	108	G22 K26	G22-A24 PolarHBondContact O-N 3.07Å; A24-K26 PolarHBondContact O-N 3.03Å
25	K	32.6	Very low	37.6	Very low	201 Å²	201	145.9 Å²	145.9	87%	0.874	83%	0.83	S	S	*	*			trans	-61	99.6	174.3	-145.7	176.1	-172.6	-179.4	0	107.9	A23 T27	A23-K25 PolarHBondContact O-N 3.12Å; A23-K25 VanDerWaalsContact O-N 3.17Å; K25-T27 PolarHBondContact O-N 3.06Å
26	K	33.4	Very low	39.8	Very low	196 Å²	196	144.1 Å²	144.1	85%	0.852	82%	0.819	S	S	*	*			trans	-63.2	105.8	163.1	-88	-178	176.7	178.3	0	106.3	A24 E28	A24-K26 PolarHBondContact O-N 3.03Å; K26-E28 VanDerWaalsContact C-N 3.27Å; K26-E28 PolarHBondContact O-N 2.91Å
27	T	30.2	Very low	42.6	Very low	127 Å²	127	138.4 Å²	138.4	78%	0.779	80%	0.796	S	S	*	*			trans	-64.7	95.1	160.9	38.4	0	0	0	0	107.4	K25 K29	K25-T27 PolarHBondContact O-N 3.06Å; T27-K29 VanDerWaalsContact C-N 3.34Å; T27-K29 PolarHBondContact O-N 3.08Å; T27-K29 VanDerWaalsContact O-N 3.08Å
28	E	36.8	Very low	45.5	Very low	192 Å²	192	137.9 Å²	137.9	90%	0.897	79%	0.788	S	S	*	*			trans	-59.3	103.5	154.6	-77	178.3	160.4	0	0	106.5	K26	K26-E28 VanDerWaalsContact C-N 3.27Å; K26-E28 PolarHBondContact O-N 2.91Å
29	K	37.8	Very low	48.5	Very low	201 Å²	201	129.5 Å²	129.5	87%	0.874	75%	0.751	S	S	*	*			trans	-92.2	114.5	168.3	-139.5	179.3	-175.3	-177.4	0	106.6	T27	T27-K29 VanDerWaalsContact C-N 3.34Å; T27-K29 PolarHBondContact O-N 3.08Å; T27-K29 VanDerWaalsContact O-N 3.08Å
30	E	42.8	Very low	51.6	Low	187 Å²	187	126.1 Å²	126.1	87%	0.874	74%	0.738	S	S	*	*			trans	-34.1	128.1	177.4	-65	160.8	144.7	0	0	113.8
31	A	38	Very low	54.7	Low	100 Å²	100	121.6 Å²	121.6	83%	0.826	71%	0.705	S	S	*	*			trans	-117.9	93.1	139.7	0	0	0	0	0	105.4	G33	A31-G33 PolarHBondContact O-N 2.89Å
32	A	41.7	Very low	57.7	Low	97 Å²	97	113.8 Å²	113.8	80%	0.802	68%	0.675	S	S	*	*			trans	-51.1	124.6	168.3	0	0	0	0	0	108.1	E34	A32-E34 PolarHBondContact O-N 3.38Å
33	G	44.8	Very low	60.9	Low	81 Å²	81	115.6 Å²	115.6	84%	0.835	67%	0.673	S	S	*	*			trans	-67.4	112.7	-175.2	0	0	0	0	0	111.4	A31	A31-G33 PolarHBondContact O-N 2.89Å
34	E	56.4	Low	64.1	Low	177 Å²	177	113.1 Å²	113.1	83%	0.827	65%	0.645	S	S	*	*			trans	-102.8	135.1	148.2	-69.9	-179.3	171.1	0	0	106.6	A32	A32-E34 PolarHBondContact O-N 3.38Å
35	G	66.8	Low	67.1	Low	60 Å²	60	113.2 Å²	113.2	62%	0.619	63%	0.63	S	S	*	*			trans	-57	176.5	175.4	0	0	0	0	0	112.3	V37	G35-V37 PolarHBondContact O-N 3.04Å
36	P	81	Confident	70.2	Confident	79 Å²	79	109 Å²	109	51%	0.513	61%	0.611	S	S	.	*			trans	-58.2	127.8	178.5	26.2	-33.5	0	0	0	110.4	L38	P36-L38 HydrophobicContact CB-CD2 4.12Å; P36-L38 HydrophobicContact CG-CD2 4.31Å; P36-L38 PolarHBondContact O-N 3.19Å
37	V	87.1	Confident	73.3	Confident	56 Å²	56	102.1 Å²	102.1	34%	0.339	59%	0.586	S	S	.	*			trans	-73.4	100.1	171.6	-176.3	0	0	0	0	108	G35 Y233 N248	G35-V37 PolarHBondContact O-N 3.04Å; V37-Y233 HydrophobicContact CB-CD1 4.29Å; V37-Y233 HydrophobicContact CB-CE1 4.21Å; V37-Y233 HydrophobicContact CB-CE2 4.42Å; V37-Y233 HydrophobicContact CB-CG 4.45Å; V37-Y233 HydrophobicContact CG1-CD1 4.14Å; V37-Y233 HydrophobicContact CG1-CD2 3.55Å; V37-Y233 HydrophobicContact CG1-CE1 4.22Å; V37-Y233 HydrophobicContact CG1-CE2 3.62Å; V37-Y233 HydrophobicContact CG1-CG 3.83Å; V37-N248 WeakPolarHBondContact O-CB 3.48Å; V37-N248 PolarHBondContact O-ND2 3.26Å; V37-N248 VanDerWaalsContact O-ND2 3.14Å
38	L	94	Very high	76.5	Confident	117 Å²	117	96.4 Å²	96.4	61%	0.613	55%	0.551	S	S	*	*			trans	-81.7	160.2	177.3	-57.6	-176.5	0	0	0	110.7	P36 N248	P36-L38 HydrophobicContact CB-CD2 4.12Å; P36-L38 HydrophobicContact CG-CD2 4.31Å; P36-L38 PolarHBondContact O-N 3.19Å; L38-N248 HydrophobicContact CD2-CB 4.08Å
39	Y	96.4	Very high	79.4	Confident	30 Å²	30	92.4 Å²	92.4	12%	0.118	55%	0.551	C	S	.	*			trans	-121.1	128.9	176.8	167	-108.9	0	0	0	109.6	D41 T231 Y233 A234 I271	Y39-D41 HydrophobicContact CE1-CB 3.88Å; Y39-D41 PolarHBondContact OH-OD1 3.35Å; Y39-T231 HydrophobicContact CD2-CG2 4.47Å; Y39-T231 HydrophobicContact CE2-CG2 3.85Å; Y39-Y233 WeakPolarHBondContact CB-O 3.42Å; Y39-A234 HydrophobicContact CD1-CB 4.25Å; Y39-A234 HydrophobicContact CD2-CB 4.1Å; Y39-A234 HydrophobicContact CE1-CB 3.86Å; Y39-A234 HydrophobicContact CE2-CB 3.73Å; Y39-A234 HydrophobicContact CG-CB 4.34Å; Y39-I271 HydrophobicContact CE1-CB 4.19Å; Y39-I271 HydrophobicContact CE1-CG2 4.23Å
40	E	97.6	Very high	82.2	Confident	141 Å²	141	86.9 Å²	86.9	66%	0.659	54%	0.537	S	S	*	.			trans	-111.9	117.7	168.5	-175	150.5	-133.7	0	0	108.2	K274	E40-K274 IonicContact OE1-NZ 2.65Å; E40-K274 PolarHBondContact OE1-NZ 2.87Å
41	D	98	Very high	84.8	Confident	24 Å²	24	80.6 Å²	80.6	13%	0.128	52%	0.522	C	S	.	.	P	Polyproline II helix	trans	-65.8	129.3	176.2	-169.6	32.1	0	0	0	108.6	Y39 K270 I271	Y39-D41 HydrophobicContact CE1-CB 3.88Å; Y39-D41 PolarHBondContact OH-OD1 3.35Å; D41-K270 IonicContact OD1-NZ 2.74Å; D41-K270 WeakPolarHBondContact OD2-CA 3.21Å; D41-K270 WeakPolarHBondContact OD2-CB 2.89Å; D41-K270 WeakPolarHBondContact OD2-CE 3.37Å; D41-K270 IonicContact OD2-NZ 2.85Å; D41-I271 WeakPolarHBondContact CB-O 3.49Å; D41-I271 PolarHBondContact OD2-N 2.88Å; D41-I271 VanDerWaalsContact OD2-O 3.11Å
42	P	98.3	Very high	87.7	Confident	45 Å²	45	82 Å²	82	29%	0.292	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-58	158.2	178.6	22.1	-35	0	0	0	111.8	Y228 K270	P42-Y228 HydrophobicContact CG-CE1 3.75Å; P42-Y228 WeakPolarHBondContact CG-OH 3.42Å; P42-K270 VanDerWaalsContact O-CE 3.24Å; P42-K270 WeakPolarHBondContact O-CE 3.34Å; P42-K270 PolarHBondContact O-NZ 2.79Å
43	P	98.6	Very high	90.4	Very high	119 Å²	119	81.4 Å²	81.4	77%	0.773	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-52.5	153.9	175.4	-25.2	34.2	0	0	0	113.1	Q45 K270	P43-Q45 PolarHBondContact O-N 3.45Å; P43-K270 PolarHBondContact O-NZ 3.22Å
44	D	98.8	Very high	92.9	Very high	51 Å²	51	79 Å²	79	27%	0.273	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-63.4	122.4	179	-70.6	6.8	0	0	0	111.6	K46 K270 R272 Y286	D44-K46 HydrophobicContact CB-CG 4.17Å; D44-K270 WeakPolarHBondContact OD1-CE 3.27Å; D44-R272 IonicContact OD1-CZ 2.8Å; D44-R272 IonicContact OD1-NH1 3.8Å; D44-R272 PolarHBondContact OD1-NH1 2.81Å; D44-R272 IonicContact OD1-NH2 2.76Å; D44-R272 PolarHBondContact OD1-NH2 3.02Å; D44-R272 IonicContact OD2-CZ 3.24Å; D44-R272 IonicContact OD2-NH1 3.45Å; D44-R272 IonicContact OD2-NH2 3.59Å; D44-R272 PolarHBondContact OD2-NH2 3.01Å; D44-Y286 HydrophobicContact CB-CE2 4.19Å; D44-Y286 WeakPolarHBondContact OD2-CE2 3.41Å; D44-Y286 VanDerWaalsContact OD2-CZ 3.3Å; D44-Y286 PolarHBondContact OD2-OH 3.2Å
45	Q	98.4	Very high	94.9	Very high	97 Å²	97	74.7 Å²	74.7	45%	0.453	46%	0.458	S	S	.	.			trans	-87	104.9	164.2	175.8	57.4	-82.4	0	0	109.8	P43 T47 C267 D268	P43-Q45 PolarHBondContact O-N 3.45Å; Q45-T47 VanDerWaalsContact C-N 3.34Å; Q45-T47 VanDerWaalsContact CG-O 3.25Å; Q45-T47 WeakPolarHBondContact CG-O 3.42Å; Q45-T47 PolarHBondContact OE1-O 3.48Å; Q45-C267 WeakPolarHBondContact CG-O 3.31Å; Q45-C267 CarbonylContact O-C 3.52Å; Q45-C267 VanDerWaalsContact O-CB 3.28Å; Q45-C267 WeakPolarHBondContact O-CB 2.99Å; Q45-D268 HydrophobicContact CB-CB 4.02Å; Q45-D268 PolarHBondContact N-OD2 3.42Å; Q45-D268 VanDerWaalsContact O-CB 3.27Å; Q45-D268 WeakPolarHBondContact O-CB 3.48Å
46	K	98.2	Very high	96.5	Very high	112 Å²	112	73.6 Å²	73.6	49%	0.487	44%	0.438	S	S	.	.			trans	-95.1	11.3	-178.3	-60.9	-177.8	179.2	176	0	113.4	D44 S53 A54 Y286	D44-K46 HydrophobicContact CB-CG 4.17Å; K46-S53 CarbonylContact O-C 3.59Å; K46-S53 WeakPolarHBondContact O-CA 3.39Å; K46-A54 WeakPolarHBondContact O-CB 3.38Å; K46-A54 PolarHBondContact O-N 2.75Å; K46-Y286 HydrophobicContact CD-CE1 4.48Å; K46-Y286 HydrophobicContact CG-CD1 4.47Å; K46-Y286 HydrophobicContact CG-CE1 4.31Å
47	T	98.3	Very high	97.3	Very high	52 Å²	52	71 Å²	71	32%	0.319	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-126.4	131.3	178.8	-43.5	0	0	0	0	109.8	Q45 G51 K52	Q45-T47 VanDerWaalsContact C-N 3.34Å; Q45-T47 VanDerWaalsContact CG-O 3.25Å; Q45-T47 WeakPolarHBondContact CG-O 3.42Å; Q45-T47 PolarHBondContact OE1-O 3.48Å; T47-G51 VanDerWaalsContact CG2-CA 3.48Å; T47-G51 WeakPolarHBondContact CG2-O 3.36Å; T47-K52 CarbonylContact C-O 3.53Å; T47-K52 WeakPolarHBondContact CA-O 3.21Å; T47-K52 WeakPolarHBondContact CG2-O 3.47Å
48	S	97.6	Very high	97.9	Very high	7 Å²	7	69 Å²	69	5%	0.049	41%	0.406	C	S	.	.			trans	-64.3	166	174.3	59.2	0	0	0	0	111.7	S50 G51 K52 C267	S48-S50 PolarHBondContact O-N 2.86Å; S48-S50 VanDerWaalsContact O-N 3.08Å; S48-G51 PolarHBondContact O-N 2.98Å; S48-K52 PolarHBondContact N-O 2.87Å; S48-K52 WeakPolarHBondContact OG-CB 3.46Å; S48-K52 PolarHBondContact OG-N 3.39Å; S48-K52 PolarHBondContact OG-O 3.11Å; S48-C267 PolarHBondContact N-SG 3.31Å
49	A	96.4	Very high	98.1	Very high	108 Å²	108	63.4 Å²	63.4	89%	0.893	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-26.3	177.2	0	0	0	0	0	113.8
50	S	96.7	Very high	98.2	Very high	84 Å²	84	62 Å²	62	59%	0.587	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	9.4	176.8	74.4	0	0	0	0	114.1	S48	S48-S50 PolarHBondContact O-N 2.86Å; S48-S50 VanDerWaalsContact O-N 3.08Å
51	G	97.6	Very high	98.3	Very high	55 Å²	55	55.2 Å²	55.2	57%	0.567	34%	0.34	S	S	*	.	S	Bend	trans	84.1	8.2	177.8	0	0	0	0	0	115.8	T47 S48	T47-G51 VanDerWaalsContact CG2-CA 3.48Å; T47-G51 WeakPolarHBondContact CG2-O 3.36Å; S48-G51 PolarHBondContact O-N 2.98Å
52	K	98.4	Very high	98.3	Very high	129 Å²	129	54.1 Å²	54.1	56%	0.561	33%	0.333	S	S	*	.	P	Polyproline II helix	trans	-84.5	133.3	175.7	-60.2	-179.6	178.4	-178	0	111.1	T47 S48 A288	T47-K52 CarbonylContact C-O 3.53Å; T47-K52 WeakPolarHBondContact CA-O 3.21Å; T47-K52 WeakPolarHBondContact CG2-O 3.47Å; S48-K52 PolarHBondContact N-O 2.87Å; S48-K52 WeakPolarHBondContact OG-CB 3.46Å; S48-K52 PolarHBondContact OG-N 3.39Å; S48-K52 PolarHBondContact OG-O 3.11Å; K52-A288 HydrophobicContact CB-CB 3.81Å
53	S	98.6	Very high	98.3	Very high	85 Å²	85	52 Å²	52	59%	0.594	32%	0.32	S	S	*	.	B	Isolated β-bridge	trans	-66.8	145.2	175.1	-54.7	0	0	0	0	112.2	K46 T55 A288	K46-S53 CarbonylContact O-C 3.59Å; K46-S53 WeakPolarHBondContact O-CA 3.39Å; S53-T55 PolarHBondContact O-N 3.48Å; S53-A288 WeakPolarHBondContact O-CB 3.38Å
54	A	98.6	Very high	98.3	Very high	32 Å²	32	48.2 Å²	48.2	26%	0.264	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-60.7	130.4	173.5	0	0	0	0	0	110.7	K46 C267 Y286 L287	K46-A54 WeakPolarHBondContact O-CB 3.38Å; K46-A54 PolarHBondContact O-N 2.75Å; A54-C267 HydrophobicContact CB-CB 4.4Å; A54-Y286 HydrophobicContact CB-CD1 4.09Å; A54-L287 CarbonylContact C-O 3.51Å; A54-L287 WeakPolarHBondContact CA-O 3.13Å
55	T	98.6	Very high	98.2	Very high	85 Å²	85	46.2 Å²	46.2	52%	0.521	29%	0.285	S	S	.	.			trans	-111.4	-11.8	178.7	52.5	0	0	0	0	112.1	S53 L287 L289	S53-T55 PolarHBondContact O-N 3.48Å; T55-L287 PolarHBondContact N-O 3.26Å; T55-L289 PolarHBondContact OG1-N 2.79Å; T55-L289 PolarHBondContact OG1-O 2.77Å
56	L	98.7	Very high	98.2	Very high	37 Å²	37	41.6 Å²	41.6	19%	0.194	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	130.3	178.6	-177.5	66.8	0	0	0	111.2	I58 D84 I85 L287 L289	L56-I58 HydrophobicContact CD1-CG1 4.47Å; L56-I58 HydrophobicContact CD2-CD1 3.91Å; L56-I58 HydrophobicContact CD2-CG1 4.05Å; L56-I58 HydrophobicContact CG-CD1 4.39Å; L56-I58 HydrophobicContact CG-CG1 3.98Å; L56-D84 HydrophobicContact CD1-CB 3.71Å; L56-I85 HydrophobicContact CD1-CD1 4.23Å; L56-I85 HydrophobicContact CD1-CG1 4.5Å; L56-L287 HydrophobicContact CB-CB 4.44Å; L56-L287 PolarHBondContact N-O 3.33Å; L56-L287 PolarHBondContact O-N 2.62Å; L56-L289 HydrophobicContact CB-CD1 4.31Å; L56-L289 HydrophobicContact CD2-CD1 3.6Å
57	K	98.8	Very high	98.1	Very high	26 Å²	26	42 Å²	42	11%	0.113	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119.2	171.7	-173.6	178.6	-173.3	172.1	0	110.5	E81 P83 D84 I85 T284 L285 Y286	K57-E81 VanDerWaalsContact CE-O 3.28Å; K57-E81 WeakPolarHBondContact CE-O 3.49Å; K57-E81 VanDerWaalsContact CE-OE1 3.23Å; K57-E81 WeakPolarHBondContact CE-OE1 3.39Å; K57-E81 PolarHBondContact NZ-O 3.41Å; K57-E81 IonicContact NZ-OE1 2.8Å; K57-E81 PolarHBondContact NZ-OE1 3Å; K57-E81 IonicContact NZ-OE2 3.87Å; K57-E81 PolarHBondContact NZ-OE2 3.14Å; K57-P83 HydrophobicContact CG-CB 4.38Å; K57-D84 PolarHBondContact N-OD2 2.81Å; K57-D84 WeakPolarHBondContact O-CB 3.28Å; K57-D84 PolarHBondContact O-N 3.49Å; K57-I85 PolarHBondContact O-N 2.87Å; K57-T284 HydrophobicContact CD-CG2 4.28Å; K57-T284 VanDerWaalsContact CE-CG2 3.46Å; K57-T284 HydrophobicContact CG-CG2 3.79Å; K57-L285 WeakPolarHBondContact CA-O 3.31Å; K57-Y286 HydrophobicContact CB-CD1 4.24Å; K57-Y286 HydrophobicContact CB-CE1 4.14Å; K57-Y286 HydrophobicContact CD-CD1 4.48Å; K57-Y286 HydrophobicContact CD-CE1 3.6Å; K57-Y286 WeakPolarHBondContact CE-OH 3.21Å; K57-Y286 HydrophobicContact CG-CD1 4.12Å; K57-Y286 HydrophobicContact CG-CE1 3.7Å; K57-Y286 PolarHBondContact NZ-OH 2.79Å
58	I	98.8	Very high	98.1	Very high	12 Å²	12	41.5 Å²	41.5	6%	0.062	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	131.2	176.9	-48.6	178.9	0	0	0	108.9	L56 I85 V177 F256 T284 L285	L56-I58 HydrophobicContact CD1-CG1 4.47Å; L56-I58 HydrophobicContact CD2-CD1 3.91Å; L56-I58 HydrophobicContact CD2-CG1 4.05Å; L56-I58 HydrophobicContact CG-CD1 4.39Å; L56-I58 HydrophobicContact CG-CG1 3.98Å; I58-I85 CarbonylContact C-O 3.57Å; I58-I85 WeakPolarHBondContact CA-O 3.41Å; I58-I85 HydrophobicContact CD1-CD1 4.49Å; I58-I85 HydrophobicContact CG1-CB 4.31Å; I58-I85 HydrophobicContact CG1-CD1 4.43Å; I58-I85 HydrophobicContact CG2-CB 4.07Å; I58-I85 HydrophobicContact CG2-CG2 4.14Å; I58-V177 HydrophobicContact CD1-CG1 4.25Å; I58-F256 HydrophobicContact CB-CE1 3.9Å; I58-F256 HydrophobicContact CB-CZ 4.12Å; I58-F256 HydrophobicContact CG2-CE1 3.63Å; I58-F256 HydrophobicContact CG2-CZ 3.95Å; I58-F256 WeakPolarHBondContact O-CZ 3.43Å; I58-T284 CarbonylContact O-C 3.53Å; I58-T284 VanDerWaalsContact O-CA 3.29Å; I58-T284 WeakPolarHBondContact O-CA 3.3Å; I58-L285 HydrophobicContact CB-CB 4.36Å; I58-L285 HydrophobicContact CD1-CD2 4.41Å; I58-L285 PolarHBondContact N-O 2.92Å; I58-L285 PolarHBondContact O-N 3.4Å
59	C	98.9	Very high	98.1	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137.7	172	-179.4	0	0	0	0	109.6	P83 I85 L86 C87 I283	C59-P83 HydrophobicContact CB-CB 3.77Å; C59-P83 HydrophobicContact CB-CG 3.89Å; C59-I85 PolarHBondContact N-O 2.86Å; C59-L86 HydrophobicContact CB-CD1 3.87Å; C59-L86 CarbonylContact O-C 3.56Å; C59-L86 WeakPolarHBondContact O-CA 3.43Å; C59-C87 PolarHBondContact O-N 2.88Å; C59-I283 CarbonylContact C-O 3.55Å; C59-I283 WeakPolarHBondContact CA-O 3.46Å
60	S	98.9	Very high	98.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	138.1	169.1	-170	0	0	0	0	110.7	C87 Q89 G180 P282 I283	S60-C87 CarbonylContact C-O 3.3Å; S60-C87 VanDerWaalsContact CA-O 3.27Å; S60-C87 WeakPolarHBondContact CA-O 3.48Å; S60-Q89 PolarHBondContact OG-NE2 3.02Å; S60-Q89 PolarHBondContact OG-OE1 2.89Å; S60-G180 VanDerWaalsContact OG-CA 3.31Å; S60-G180 WeakPolarHBondContact OG-CA 3.43Å; S60-G180 PolarHBondContact OG-N 3.49Å; S60-P282 WeakPolarHBondContact O-CA 3.46Å; S60-I283 PolarHBondContact N-O 3.17Å; S60-I283 WeakPolarHBondContact O-CG1 3.26Å; S60-I283 PolarHBondContact O-N 3.37Å
61	W	98.8	Very high	98.2	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	118.9	-179.8	-157.6	-6.9	0	0	0	112.1	V63 W69 W77 V78 C87 L88 Q89 A275 L276 H280 P282	W61-V63 HydrophobicContact CB-CG1 4.3Å; W61-V63 HydrophobicContact CG-CG1 4.24Å; W61-V63 PolarHBondContact O-N 3.23Å; W61-W69 HydrophobicContact CD2-CZ2 4.48Å; W61-W69 AromaticContact CD2-NE1 3.6Å; W61-W69 AromaticContact CE2-NE1 3.61Å; W61-W69 AromaticContact CE3-CE2 3.74Å; W61-W69 AromaticContact CE3-CZ2 3.58Å; W61-W69 HydrophobicContact CE3-CZ2 3.58Å; W61-W69 AromaticContact CE3-NE1 3.36Å; W61-W69 HydrophobicContact CH2-CZ2 4.43Å; W61-W69 AromaticContact CH2-NE1 3.23Å; W61-W69 AromaticContact CZ2-NE1 3.45Å; W61-W69 AromaticContact CZ3-CE2 3.65Å; W61-W69 AromaticContact CZ3-CZ2 3.55Å; W61-W69 HydrophobicContact CZ3-CZ2 3.55Å; W61-W69 AromaticContact CZ3-NE1 3.17Å; W61-W77 HydrophobicContact CE3-CE3 4.04Å; W61-W77 HydrophobicContact CE3-CZ3 4.28Å; W61-W77 HydrophobicContact CH2-CD2 4.41Å; W61-W77 HydrophobicContact CH2-CE3 4.25Å; W61-W77 HydrophobicContact CZ3-CB 4.45Å; W61-W77 HydrophobicContact CZ3-CD2 4.05Å; W61-W77 AromaticContact CZ3-CE3 3.48Å; W61-W77 HydrophobicContact CZ3-CE3 3.48Å; W61-W77 VanDerWaalsContact CZ3-CE3 3.48Å; W61-W77 HydrophobicContact CZ3-CG 4.45Å; W61-W77 HydrophobicContact CZ3-CZ3 4.15Å; W61-V78 HydrophobicContact CE3-CG2 4.5Å; W61-V78 HydrophobicContact CZ3-CG2 4.48Å; W61-C87 PolarHBondContact N-O 2.97Å; W61-L88 HydrophobicContact CB-CD2 4.22Å; W61-L88 WeakPolarHBondContact O-CA 3.4Å; W61-Q89 VanDerWaalsContact C-OE1 3.29Å; W61-Q89 PolarHBondContact O-N 2.94Å; W61-Q89 PolarHBondContact O-OE1 3.04Å; W61-A275 HydrophobicContact CH2-CB 4.23Å; W61-A275 HydrophobicContact CZ2-CB 4.45Å; W61-L276 VanDerWaalsContact CH2-O 3.27Å; W61-L276 WeakPolarHBondContact CH2-O 3.38Å; W61-L276 WeakPolarHBondContact CZ2-O 3.22Å; W61-H280 PolarHBondContact NE1-O 3.15Å; W61-P282 HydrophobicContact CB-CB 4.13Å; W61-P282 HydrophobicContact CD2-CB 3.73Å; W61-P282 HydrophobicContact CD2-CG 3.68Å; W61-P282 VanDerWaalsContact CE2-CD 3.49Å; W61-P282 HydrophobicContact CE3-CB 3.89Å; W61-P282 HydrophobicContact CE3-CG 3.7Å; W61-P282 HydrophobicContact CG-CB 3.86Å; W61-P282 HydrophobicContact CG-CG 4.28Å; W61-P282 HydrophobicContact CH2-CG 4.01Å; W61-P282 HydrophobicContact CZ2-CG 4Å; W61-P282 HydrophobicContact CZ3-CG 3.87Å
62	N	98.6	Very high	98.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	113	159.5	-179.3	-22.9	0	0	0	108.9	D64 Q89 E90 D181 S278 H280	N62-D64 PolarHBondContact OD1-N 2.93Å; N62-D64 VanDerWaalsContact OD1-N 3.12Å; N62-Q89 HydrophobicContact CB-CB 4.26Å; N62-E90 PolarHBondContact ND2-OE1 3.22Å; N62-E90 VanDerWaalsContact OD1-CB 3.31Å; N62-E90 WeakPolarHBondContact OD1-CB 3.34Å; N62-D181 HydrophobicContact CB-CB 4.14Å; N62-D181 PolarHBondContact ND2-OD2 3.22Å; N62-S278 VanDerWaalsContact O-CB 3.3Å; N62-S278 WeakPolarHBondContact O-CB 3.5Å; N62-S278 PolarHBondContact O-OG 3.05Å; N62-H280 HydrophobicContact CB-CB 4Å; N62-H280 PolarHBondContact ND2-NE2 2.95Å; N62-H280 WeakPolarHBondContact O-CB 3.33Å
63	V	98.5	Very high	98.2	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.006	23%	0.225	C	C	.	.			trans	-93.6	-3.8	-171	-65.9	0	0	0	0	114.1	W61 G65 L66 W69 L88 Q89	W61-V63 HydrophobicContact CB-CG1 4.3Å; W61-V63 HydrophobicContact CG-CG1 4.24Å; W61-V63 PolarHBondContact O-N 3.23Å; V63-G65 VanDerWaalsContact C-N 3.25Å; V63-G65 PolarHBondContact O-N 2.85Å; V63-L66 HydrophobicContact CG2-CB 4.42Å; V63-L66 HydrophobicContact CG2-CD1 4.48Å; V63-W69 HydrophobicContact CB-CB 3.87Å; V63-W69 HydrophobicContact CB-CD2 4.07Å; V63-W69 HydrophobicContact CB-CG 3.72Å; V63-W69 HydrophobicContact CG1-CB 4.45Å; V63-W69 HydrophobicContact CG1-CD2 3.67Å; V63-W69 HydrophobicContact CG1-CE3 4.2Å; V63-W69 HydrophobicContact CG1-CG 3.78Å; V63-W69 HydrophobicContact CG1-CZ2 4.34Å; V63-L88 HydrophobicContact CG1-CD2 3.78Å; V63-Q89 WeakPolarHBondContact CG2-O 3.34Å; V63-Q89 PolarHBondContact N-O 3.27Å
64	D	97.8	Very high	98.1	Very high	39 Å²	39	39.4 Å²	39.4	21%	0.209	20%	0.197	C	C	.	.	S	Bend	trans	45.6	49.6	-178.5	-178.4	33.7	0	0	0	112.8	N62 K92 Y240 D279	N62-D64 PolarHBondContact OD1-N 2.93Å; N62-D64 VanDerWaalsContact OD1-N 3.12Å; D64-K92 IonicContact OD1-NZ 3.32Å; D64-K92 PolarHBondContact OD1-NZ 3.45Å; D64-Y240 VanDerWaalsContact OD2-CE2 3.3Å; D64-Y240 WeakPolarHBondContact OD2-CE2 3.47Å; D64-Y240 PolarHBondContact OD2-OH 2.84Å; D64-D279 WeakPolarHBondContact CB-OD1 3.49Å
65	G	97.7	Very high	98	Very high	10 Å²	10	38.2 Å²	38.2	10%	0.103	19%	0.185	C	C	.	.	S	Bend	trans	95.8	103.4	-176	0	0	0	0	0	113.4	V63 R67 A68 W69 E90	V63-G65 VanDerWaalsContact C-N 3.25Å; V63-G65 PolarHBondContact O-N 2.85Å; G65-R67 VanDerWaalsContact C-N 3.34Å; G65-R67 PolarHBondContact O-N 3.28Å; G65-A68 PolarHBondContact O-N 3.26Å; G65-W69 PolarHBondContact O-N 3.43Å; G65-E90 WeakPolarHBondContact CA-O 3.46Å; G65-E90 PolarHBondContact N-O 3.07Å
66	L	97.6	Very high	97.9	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-50.6	-47.9	-175.4	-174.9	62	0	0	0	113.5	V63 A68 W69 I70 L88 T91 C93 L98 L102 W113	V63-L66 HydrophobicContact CG2-CB 4.42Å; V63-L66 HydrophobicContact CG2-CD1 4.48Å; L66-A68 PolarHBondContact O-N 3.23Å; L66-W69 HydrophobicContact CD1-CE3 4.04Å; L66-W69 HydrophobicContact CD1-CZ3 4.21Å; L66-W69 PolarHBondContact O-N 2.82Å; L66-I70 HydrophobicContact CD1-CD1 4.46Å; L66-I70 HydrophobicContact CG-CD1 4.31Å; L66-I70 VanDerWaalsContact O-CG1 3.31Å; L66-I70 WeakPolarHBondContact O-CG1 3.33Å; L66-I70 PolarHBondContact O-N 2.77Å; L66-L88 HydrophobicContact CD1-CD1 3.88Å; L66-T91 VanDerWaalsContact CB-O 3.25Å; L66-T91 WeakPolarHBondContact CB-O 3.39Å; L66-T91 PolarHBondContact N-O 2.99Å; L66-C93 HydrophobicContact CB-CB 4.26Å; L66-C93 HydrophobicContact CD2-CB 4.14Å; L66-L98 HydrophobicContact CD2-CD2 3.62Å; L66-L102 HydrophobicContact CD1-CD2 4.42Å; L66-L102 HydrophobicContact CD2-CD1 3.84Å; L66-L102 HydrophobicContact CG-CD1 4.48Å; L66-W113 HydrophobicContact CD1-CH2 4.37Å; L66-W113 HydrophobicContact CD2-CH2 3.82Å; L66-W113 HydrophobicContact CD2-CZ3 3.72Å
67	R	96.8	Very high	97.9	Very high	120 Å²	120	37.8 Å²	37.8	45%	0.453	18%	0.177	S	C	.	.	H	α-helix	trans	-63.8	-37.9	-179.3	-73.9	170.6	-71.2	170.2	-1.9	112.9	G65 K71 K92 P99	G65-R67 VanDerWaalsContact C-N 3.34Å; G65-R67 PolarHBondContact O-N 3.28Å; R67-K71 WeakPolarHBondContact O-CG 3.32Å; R67-K71 PolarHBondContact O-N 2.82Å; R67-K92 PolarHBondContact NH2-O 2.81Å; R67-P99 HydrophobicContact CG-CG 3.61Å
68	A	97.6	Very high	97.9	Very high	42 Å²	42	36.6 Å²	36.6	35%	0.347	17%	0.172	S	C	.	.	H	α-helix	trans	-72.8	-41.7	178.4	0	0	0	0	0	110.6	G65 L66 K71 K72	G65-A68 PolarHBondContact O-N 3.26Å; L66-A68 PolarHBondContact O-N 3.23Å; A68-K71 PolarHBondContact O-N 2.94Å; A68-K72 VanDerWaalsContact O-CG 3.31Å; A68-K72 WeakPolarHBondContact O-CG 3.15Å; A68-K72 PolarHBondContact O-N 3.1Å
69	W	98.4	Very high	97.7	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-60.8	-42.2	176.2	173.3	85	0	0	0	112.9	W61 V63 G65 L66 K71 K72 K73 G74 L75 V78	W61-W69 HydrophobicContact CD2-CZ2 4.48Å; W61-W69 AromaticContact CD2-NE1 3.6Å; W61-W69 AromaticContact CE2-NE1 3.61Å; W61-W69 AromaticContact CE3-CE2 3.74Å; W61-W69 AromaticContact CE3-CZ2 3.58Å; W61-W69 HydrophobicContact CE3-CZ2 3.58Å; W61-W69 AromaticContact CE3-NE1 3.36Å; W61-W69 HydrophobicContact CH2-CZ2 4.43Å; W61-W69 AromaticContact CH2-NE1 3.23Å; W61-W69 AromaticContact CZ2-NE1 3.45Å; W61-W69 AromaticContact CZ3-CE2 3.65Å; W61-W69 AromaticContact CZ3-CZ2 3.55Å; W61-W69 HydrophobicContact CZ3-CZ2 3.55Å; W61-W69 AromaticContact CZ3-NE1 3.17Å; V63-W69 HydrophobicContact CB-CB 3.87Å; V63-W69 HydrophobicContact CB-CD2 4.07Å; V63-W69 HydrophobicContact CB-CG 3.72Å; V63-W69 HydrophobicContact CG1-CB 4.45Å; V63-W69 HydrophobicContact CG1-CD2 3.67Å; V63-W69 HydrophobicContact CG1-CE3 4.2Å; V63-W69 HydrophobicContact CG1-CG 3.78Å; V63-W69 HydrophobicContact CG1-CZ2 4.34Å; G65-W69 PolarHBondContact O-N 3.43Å; L66-W69 HydrophobicContact CD1-CE3 4.04Å; L66-W69 HydrophobicContact CD1-CZ3 4.21Å; L66-W69 PolarHBondContact O-N 2.82Å; W69-K71 PolarHBondContact O-N 3.28Å; W69-K72 CarbonylContact O-C 3.58Å; W69-K72 PolarHBondContact O-N 3.42Å; W69-K72 VanDerWaalsContact O-N 3.17Å; W69-K73 PolarHBondContact O-N 3.2Å; W69-G74 WeakPolarHBondContact CZ2-O 3.46Å; W69-G74 PolarHBondContact O-N 3.43Å; W69-L75 HydrophobicContact CH2-CD2 3.65Å; W69-L75 HydrophobicContact CH2-CG 4Å; W69-L75 HydrophobicContact CZ3-CD2 3.53Å; W69-L75 HydrophobicContact CZ3-CG 3.69Å; W69-V78 HydrophobicContact CH2-CG2 3.74Å; W69-V78 HydrophobicContact CZ2-CG2 3.69Å
70	I	97.5	Very high	97.6	Very high	16 Å²	16	47.7 Å²	47.7	8%	0.082	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-48.6	173.4	-69.1	175.2	0	0	0	111.1	L66 K72 K73 L75 P99 E101 L102	L66-I70 HydrophobicContact CD1-CD1 4.46Å; L66-I70 HydrophobicContact CG-CD1 4.31Å; L66-I70 VanDerWaalsContact O-CG1 3.31Å; L66-I70 WeakPolarHBondContact O-CG1 3.33Å; L66-I70 PolarHBondContact O-N 2.77Å; I70-K72 PolarHBondContact O-N 3.27Å; I70-K73 PolarHBondContact O-N 2.66Å; I70-L75 HydrophobicContact CB-CD1 4.4Å; I70-L75 HydrophobicContact CD1-CD1 3.89Å; I70-L75 HydrophobicContact CG1-CD1 3.7Å; I70-L75 HydrophobicContact CG1-CG 3.92Å; I70-L75 HydrophobicContact CG2-CD1 3.98Å; I70-P99 HydrophobicContact CD1-CB 3.68Å; I70-P99 HydrophobicContact CD1-CG 3.74Å; I70-E101 HydrophobicContact CG2-CB 4.34Å; I70-E101 HydrophobicContact CG2-CG 4.3Å; I70-L102 HydrophobicContact CD1-CD2 4.45Å; I70-L102 HydrophobicContact CD1-CG 4.25Å
71	K	97.6	Very high	97.6	Very high	172 Å²	172	48.8 Å²	48.8	75%	0.748	23%	0.227	S	C	*	.	H	α-helix	trans	-59.5	-32.5	177.7	-71.6	176.3	-179.5	-174.7	0	112.6	R67 A68 W69 K73	R67-K71 WeakPolarHBondContact O-CG 3.32Å; R67-K71 PolarHBondContact O-N 2.82Å; A68-K71 PolarHBondContact O-N 2.94Å; W69-K71 PolarHBondContact O-N 3.28Å; K71-K73 PolarHBondContact O-N 2.98Å
72	K	98	Very high	97.5	Very high	99 Å²	99	52.1 Å²	52.1	43%	0.43	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	18.2	174.9	-64.3	168.2	-178	174.8	0	113.3	A68 W69 I70 G74 G277	A68-K72 VanDerWaalsContact O-CG 3.31Å; A68-K72 WeakPolarHBondContact O-CG 3.15Å; A68-K72 PolarHBondContact O-N 3.1Å; W69-K72 CarbonylContact O-C 3.58Å; W69-K72 PolarHBondContact O-N 3.42Å; W69-K72 VanDerWaalsContact O-N 3.17Å; I70-K72 PolarHBondContact O-N 3.27Å; K72-G74 VanDerWaalsContact C-N 3.31Å; K72-G74 PolarHBondContact O-N 3.35Å; K72-G277 WeakPolarHBondContact CD-O 3.32Å; K72-G277 PolarHBondContact NZ-O 3.43Å
73	K	97.3	Very high	97.5	Very high	137 Å²	137	52.5 Å²	52.5	60%	0.596	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	24.4	174.5	-48.9	-51.8	-161.4	159.4	0	115	W69 I70 K71 L75 D76 W77	W69-K73 PolarHBondContact O-N 3.2Å; I70-K73 PolarHBondContact O-N 2.66Å; K71-K73 PolarHBondContact O-N 2.98Å; K73-L75 VanDerWaalsContact C-N 3.3Å; K73-L75 PolarHBondContact O-N 3.41Å; K73-D76 HydrophobicContact CB-CB 4.36Å; K73-D76 WeakPolarHBondContact CD-OD2 3.4Å; K73-D76 WeakPolarHBondContact O-CB 3.22Å; K73-D76 PolarHBondContact O-N 2.8Å; K73-D76 VanDerWaalsContact O-N 3.14Å; K73-W77 PolarHBondContact O-N 2.7Å
74	G	97.5	Very high	97.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-60.2	-36.5	177	0	0	0	0	0	114	W69 K72 D76 W77 V78	W69-G74 WeakPolarHBondContact CZ2-O 3.46Å; W69-G74 PolarHBondContact O-N 3.43Å; K72-G74 VanDerWaalsContact C-N 3.31Å; K72-G74 PolarHBondContact O-N 3.35Å; G74-D76 VanDerWaalsContact C-N 3.33Å; G74-D76 PolarHBondContact O-N 3.45Å; G74-W77 PolarHBondContact O-N 3Å; G74-V78 PolarHBondContact O-N 3.28Å
75	L	96.3	Very high	97.6	Very high	6 Å²	6	53.7 Å²	53.7	3%	0.031	26%	0.263	C	S	.	.	H	α-helix	trans	-67	-33.2	175.6	-72.1	174.8	0	0	0	112.9	W69 I70 K73 W77 V78 K79 E101 L102 L105	W69-L75 HydrophobicContact CH2-CD2 3.65Å; W69-L75 HydrophobicContact CH2-CG 4Å; W69-L75 HydrophobicContact CZ3-CD2 3.53Å; W69-L75 HydrophobicContact CZ3-CG 3.69Å; I70-L75 HydrophobicContact CB-CD1 4.4Å; I70-L75 HydrophobicContact CD1-CD1 3.89Å; I70-L75 HydrophobicContact CG1-CD1 3.7Å; I70-L75 HydrophobicContact CG1-CG 3.92Å; I70-L75 HydrophobicContact CG2-CD1 3.98Å; K73-L75 VanDerWaalsContact C-N 3.3Å; K73-L75 PolarHBondContact O-N 3.41Å; L75-W77 VanDerWaalsContact C-N 3.31Å; L75-V78 PolarHBondContact O-N 3.44Å; L75-K79 WeakPolarHBondContact O-CG 3.44Å; L75-K79 PolarHBondContact O-N 3.18Å; L75-E101 HydrophobicContact CD1-CB 3.61Å; L75-L102 HydrophobicContact CD2-CD2 4.08Å; L75-L105 HydrophobicContact CD2-CD1 3.7Å; L75-L105 HydrophobicContact CD2-CD2 3.84Å; L75-L105 HydrophobicContact CD2-CG 3.97Å
76	D	96.4	Very high	97.6	Very high	65 Å²	65	53.3 Å²	53.3	35%	0.348	26%	0.258	S	S	.	.	H	α-helix	trans	-64.7	-42.5	177.7	-61.5	-18.6	0	0	0	109.4	K73 G74 V78 K79 E80	K73-D76 HydrophobicContact CB-CB 4.36Å; K73-D76 WeakPolarHBondContact CD-OD2 3.4Å; K73-D76 WeakPolarHBondContact O-CB 3.22Å; K73-D76 PolarHBondContact O-N 2.8Å; K73-D76 VanDerWaalsContact O-N 3.14Å; G74-D76 VanDerWaalsContact C-N 3.33Å; G74-D76 PolarHBondContact O-N 3.45Å; D76-V78 PolarHBondContact O-N 2.85Å; D76-K79 WeakPolarHBondContact O-CB 3.28Å; D76-K79 PolarHBondContact O-N 3.15Å; D76-E80 PolarHBondContact O-N 3.19Å; D76-E80 VanDerWaalsContact O-N 3.09Å
77	W	97.9	Very high	97.6	Very high	48 Å²	48	54 Å²	54	18%	0.182	26%	0.263	C	S	.	.	H	α-helix	trans	-61.9	-40.7	172.3	-173	84.4	0	0	0	112.7	W61 K73 G74 L75 K79 E80 E81 R272 A275 P282	W61-W77 HydrophobicContact CE3-CE3 4.04Å; W61-W77 HydrophobicContact CE3-CZ3 4.28Å; W61-W77 HydrophobicContact CH2-CD2 4.41Å; W61-W77 HydrophobicContact CH2-CE3 4.25Å; W61-W77 HydrophobicContact CZ3-CB 4.45Å; W61-W77 HydrophobicContact CZ3-CD2 4.05Å; W61-W77 AromaticContact CZ3-CE3 3.48Å; W61-W77 HydrophobicContact CZ3-CE3 3.48Å; W61-W77 VanDerWaalsContact CZ3-CE3 3.48Å; W61-W77 HydrophobicContact CZ3-CG 4.45Å; W61-W77 HydrophobicContact CZ3-CZ3 4.15Å; K73-W77 PolarHBondContact O-N 2.7Å; G74-W77 PolarHBondContact O-N 3Å; L75-W77 VanDerWaalsContact C-N 3.31Å; W77-K79 VanDerWaalsContact C-N 3.31Å; W77-K79 PolarHBondContact O-N 3.33Å; W77-E80 PolarHBondContact O-N 2.86Å; W77-E81 HydrophobicContact CD2-CB 4.49Å; W77-E81 HydrophobicContact CE3-CB 4.1Å; W77-E81 HydrophobicContact CH2-CB 3.63Å; W77-E81 HydrophobicContact CH2-CG 3.43Å; W77-E81 VanDerWaalsContact CH2-CG 3.43Å; W77-E81 HydrophobicContact CZ2-CB 4.04Å; W77-E81 HydrophobicContact CZ2-CG 4.1Å; W77-E81 HydrophobicContact CZ3-CB 3.67Å; W77-E81 HydrophobicContact CZ3-CG 3.77Å; W77-E81 WeakPolarHBondContact O-CB 3.25Å; W77-E81 PolarHBondContact O-N 3.26Å; W77-R272 HydrophobicContact CH2-CB 4.11Å; W77-R272 HydrophobicContact CH2-CG 3.73Å; W77-R272 HydrophobicContact CZ2-CB 3.67Å; W77-R272 HydrophobicContact CZ2-CG 3.57Å; W77-A275 HydrophobicContact CD2-CB 3.92Å; W77-A275 HydrophobicContact CG-CB 4.03Å; W77-A275 HydrophobicContact CZ2-CB 4.15Å; W77-P282 HydrophobicContact CD2-CG 4.18Å; W77-P282 HydrophobicContact CE3-CB 4.48Å; W77-P282 HydrophobicContact CE3-CG 3.83Å; W77-P282 HydrophobicContact CH2-CB 3.64Å; W77-P282 HydrophobicContact CH2-CG 3.32Å; W77-P282 HydrophobicContact CZ2-CB 4.46Å; W77-P282 HydrophobicContact CZ2-CG 3.72Å; W77-P282 HydrophobicContact CZ3-CB 3.64Å; W77-P282 HydrophobicContact CZ3-CG 3.38Å
78	V	98.1	Very high	97.7	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.012	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-38.3	175.9	166.1	0	0	0	0	111.6	W61 W69 G74 L75 D76 E80 E81 A82 L86 L105 L108	W61-V78 HydrophobicContact CE3-CG2 4.5Å; W61-V78 HydrophobicContact CZ3-CG2 4.48Å; W69-V78 HydrophobicContact CH2-CG2 3.74Å; W69-V78 HydrophobicContact CZ2-CG2 3.69Å; G74-V78 PolarHBondContact O-N 3.28Å; L75-V78 PolarHBondContact O-N 3.44Å; D76-V78 PolarHBondContact O-N 2.85Å; V78-E80 VanDerWaalsContact C-N 3.32Å; V78-E81 PolarHBondContact O-N 3.01Å; V78-A82 PolarHBondContact O-N 3.44Å; V78-L86 HydrophobicContact CG1-CD2 3.8Å; V78-L86 HydrophobicContact CG2-CD1 4.27Å; V78-L86 HydrophobicContact CG2-CD2 4.05Å; V78-L105 HydrophobicContact CG1-CD2 4.16Å; V78-L108 HydrophobicContact CG1-CD1 4.14Å
79	K	96.6	Very high	97.7	Very high	91 Å²	91	47 Å²	47	40%	0.396	23%	0.228	S	C	.	.	H	α-helix	trans	-63.4	-39	175.7	-70.9	168.7	-176.7	174.4	0	111.4	L75 D76 W77 L105	L75-K79 WeakPolarHBondContact O-CG 3.44Å; L75-K79 PolarHBondContact O-N 3.18Å; D76-K79 WeakPolarHBondContact O-CB 3.28Å; D76-K79 PolarHBondContact O-N 3.15Å; W77-K79 VanDerWaalsContact C-N 3.31Å; W77-K79 PolarHBondContact O-N 3.33Å; K79-L105 HydrophobicContact CG-CD2 4.05Å
80	E	96.6	Very high	97.6	Very high	154 Å²	154	48.8 Å²	48.8	72%	0.72	24%	0.237	S	C	*	.	H	α-helix	trans	-68.4	-41.3	174.3	-68.2	172.6	-172.1	0	0	112.2	D76 W77 V78 A82	D76-E80 PolarHBondContact O-N 3.19Å; D76-E80 VanDerWaalsContact O-N 3.09Å; W77-E80 PolarHBondContact O-N 2.86Å; V78-E80 VanDerWaalsContact C-N 3.32Å; E80-A82 VanDerWaalsContact C-N 3.33Å
81	E	97.9	Very high	97.6	Very high	22 Å²	22	48 Å²	48	10%	0.103	23%	0.233	C	C	.	.	H	α-helix	trans	-70.9	-30	179.2	-176	68.2	163.5	0	0	112	K57 W77 V78 R272 T284	K57-E81 VanDerWaalsContact CE-O 3.28Å; K57-E81 WeakPolarHBondContact CE-O 3.49Å; K57-E81 VanDerWaalsContact CE-OE1 3.23Å; K57-E81 WeakPolarHBondContact CE-OE1 3.39Å; K57-E81 PolarHBondContact NZ-O 3.41Å; K57-E81 IonicContact NZ-OE1 2.8Å; K57-E81 PolarHBondContact NZ-OE1 3Å; K57-E81 IonicContact NZ-OE2 3.87Å; K57-E81 PolarHBondContact NZ-OE2 3.14Å; W77-E81 HydrophobicContact CD2-CB 4.49Å; W77-E81 HydrophobicContact CE3-CB 4.1Å; W77-E81 HydrophobicContact CH2-CB 3.63Å; W77-E81 HydrophobicContact CH2-CG 3.43Å; W77-E81 VanDerWaalsContact CH2-CG 3.43Å; W77-E81 HydrophobicContact CZ2-CB 4.04Å; W77-E81 HydrophobicContact CZ2-CG 4.1Å; W77-E81 HydrophobicContact CZ3-CB 3.67Å; W77-E81 HydrophobicContact CZ3-CG 3.77Å; W77-E81 WeakPolarHBondContact O-CB 3.25Å; W77-E81 PolarHBondContact O-N 3.26Å; V78-E81 PolarHBondContact O-N 3.01Å; E81-R272 IonicContact OE1-CZ 3.52Å; E81-R272 IonicContact OE1-NE 2.69Å; E81-R272 PolarHBondContact OE1-NE 2.65Å; E81-R272 IonicContact OE1-NH2 3.54Å; E81-R272 PolarHBondContact OE1-NH2 3.2Å; E81-R272 IonicContact OE2-CZ 2.78Å; E81-R272 IonicContact OE2-NE 2.8Å; E81-R272 IonicContact OE2-NH2 3.99Å; E81-R272 PolarHBondContact OE2-NH2 3.2Å; E81-T284 WeakPolarHBondContact OE1-CB 3.07Å; E81-T284 VanDerWaalsContact OE1-CG2 3.27Å; E81-T284 WeakPolarHBondContact OE1-CG2 3.31Å; E81-T284 PolarHBondContact OE1-OG1 3.03Å
82	A	97.5	Very high	97.5	Very high	70 Å²	70	42.4 Å²	42.4	58%	0.579	21%	0.209	S	C	*	.			trans	45.5	56.7	176.3	0	0	0	0	0	114.5	V78 E80	V78-A82 PolarHBondContact O-N 3.44Å; E80-A82 VanDerWaalsContact C-N 3.33Å
83	P	98.3	Very high	97.3	Very high	8 Å²	8	38 Å²	38	5%	0.052	19%	0.19	C	C	.	.			trans	-73.2	155.9	177.2	34	-36.3	0	0	0	111.8	K57 C59 I85 L86 L108	K57-P83 HydrophobicContact CG-CB 4.38Å; C59-P83 HydrophobicContact CB-CB 3.77Å; C59-P83 HydrophobicContact CB-CG 3.89Å; P83-I85 WeakPolarHBondContact CB-O 3.13Å; P83-L86 HydrophobicContact CG-CB 4.27Å; P83-L108 HydrophobicContact CG-CD1 4.32Å
84	D	98.4	Very high	96.9	Very high	28 Å²	28	32.7 Å²	32.7	15%	0.15	17%	0.17	C	C	.	.	S	Bend	trans	-74.5	-32.1	169.2	-64.5	-72.8	0	0	0	111.8	L56 K57 L108 R130	L56-D84 HydrophobicContact CD1-CB 3.71Å; K57-D84 PolarHBondContact N-OD2 2.81Å; K57-D84 WeakPolarHBondContact O-CB 3.28Å; K57-D84 PolarHBondContact O-N 3.49Å; D84-L108 WeakPolarHBondContact O-CD2 3.46Å; D84-R130 WeakPolarHBondContact O-CB 3.35Å; D84-R130 PolarHBondContact O-N 3Å; D84-R130 IonicContact OD1-CZ 2.8Å; D84-R130 IonicContact OD1-NE 2.9Å; D84-R130 PolarHBondContact OD1-NE 3.45Å; D84-R130 IonicContact OD1-NH2 3.34Å; D84-R130 PolarHBondContact OD1-NH2 3Å
85	I	98.7	Very high	96.5	Very high	38 Å²	38	38.3 Å²	38.3	20%	0.195	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	131.1	178.8	-57.8	174.8	0	0	0	108.6	L56 K57 I58 C59 P83 L127 L128	L56-I85 HydrophobicContact CD1-CD1 4.23Å; L56-I85 HydrophobicContact CD1-CG1 4.5Å; K57-I85 PolarHBondContact O-N 2.87Å; I58-I85 CarbonylContact C-O 3.57Å; I58-I85 WeakPolarHBondContact CA-O 3.41Å; I58-I85 HydrophobicContact CD1-CD1 4.49Å; I58-I85 HydrophobicContact CG1-CB 4.31Å; I58-I85 HydrophobicContact CG1-CD1 4.43Å; I58-I85 HydrophobicContact CG2-CB 4.07Å; I58-I85 HydrophobicContact CG2-CG2 4.14Å; C59-I85 PolarHBondContact N-O 2.86Å; P83-I85 WeakPolarHBondContact CB-O 3.13Å; I85-L127 HydrophobicContact CG2-CG 4.46Å; I85-L128 CarbonylContact C-O 3.51Å; I85-L128 WeakPolarHBondContact CA-O 3.5Å
86	L	98.7	Very high	96.2	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	122.3	174.1	177.4	67.2	0	0	0	110	C59 V78 P83 L88 L108 L127 L128	C59-L86 HydrophobicContact CB-CD1 3.87Å; C59-L86 CarbonylContact O-C 3.56Å; C59-L86 WeakPolarHBondContact O-CA 3.43Å; V78-L86 HydrophobicContact CG1-CD2 3.8Å; V78-L86 HydrophobicContact CG2-CD1 4.27Å; V78-L86 HydrophobicContact CG2-CD2 4.05Å; P83-L86 HydrophobicContact CG-CB 4.27Å; L86-L88 HydrophobicContact CD1-CD2 3.79Å; L86-L88 HydrophobicContact CD2-CD1 4.34Å; L86-L88 HydrophobicContact CD2-CD2 3.95Å; L86-L88 HydrophobicContact CD2-CG 4.24Å; L86-L88 HydrophobicContact CG-CD2 3.74Å; L86-L88 HydrophobicContact CG-CG 4.08Å; L86-L108 HydrophobicContact CB-CD1 3.94Å; L86-L108 HydrophobicContact CD2-CD1 4.22Å; L86-L127 WeakPolarHBondContact O-CA 3.21Å; L86-L128 HydrophobicContact CB-CB 4.33Å; L86-L128 HydrophobicContact CD2-CD1 4.34Å; L86-L128 PolarHBondContact N-O 2.74Å; L86-L128 PolarHBondContact O-N 3.33Å
87	C	98.5	Very high	95.9	Very high	15 Å²	15	45.2 Å²	45.2	10%	0.101	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.5	175.6	-62.5	0	0	0	0	109.5	C59 S60 W61 G126	C59-C87 PolarHBondContact O-N 2.88Å; S60-C87 CarbonylContact C-O 3.3Å; S60-C87 VanDerWaalsContact CA-O 3.27Å; S60-C87 WeakPolarHBondContact CA-O 3.48Å; W61-C87 PolarHBondContact N-O 2.97Å; C87-G126 CarbonylContact C-O 3.53Å; C87-G126 WeakPolarHBondContact CA-O 3.43Å
88	L	98.2	Very high	95.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	137.3	-179.7	-56.9	-177.5	0	0	0	110.6	W61 V63 L66 L86 T91 W113 V125 G126 L128	W61-L88 HydrophobicContact CB-CD2 4.22Å; W61-L88 WeakPolarHBondContact O-CA 3.4Å; V63-L88 HydrophobicContact CG1-CD2 3.78Å; L66-L88 HydrophobicContact CD1-CD1 3.88Å; L86-L88 HydrophobicContact CD1-CD2 3.79Å; L86-L88 HydrophobicContact CD2-CD1 4.34Å; L86-L88 HydrophobicContact CD2-CD2 3.95Å; L86-L88 HydrophobicContact CD2-CG 4.24Å; L86-L88 HydrophobicContact CG-CD2 3.74Å; L86-L88 HydrophobicContact CG-CG 4.08Å; L88-T91 HydrophobicContact CB-CG2 4.18Å; L88-W113 HydrophobicContact CD1-CH2 4.09Å; L88-W113 HydrophobicContact CD1-CZ3 4.32Å; L88-V125 CarbonylContact O-C 3.49Å; L88-V125 VanDerWaalsContact O-CA 3.23Å; L88-V125 WeakPolarHBondContact O-CA 3.4Å; L88-G126 PolarHBondContact N-O 3.22Å; L88-G126 PolarHBondContact O-N 2.68Å; L88-L128 HydrophobicContact CD1-CD1 4.05Å; L88-L128 HydrophobicContact CG-CD1 4.31Å
89	Q	98.1	Very high	95.6	Very high	13 Å²	13	46.1 Å²	46.1	6%	0.061	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	159.7	173.5	-55.6	81.7	41.1	0	0	110.9	S60 W61 N62 V63 T91 V125 Y142	S60-Q89 PolarHBondContact OG-NE2 3.02Å; S60-Q89 PolarHBondContact OG-OE1 2.89Å; W61-Q89 VanDerWaalsContact C-OE1 3.29Å; W61-Q89 PolarHBondContact O-N 2.94Å; W61-Q89 PolarHBondContact O-OE1 3.04Å; N62-Q89 HydrophobicContact CB-CB 4.26Å; V63-Q89 WeakPolarHBondContact CG2-O 3.34Å; V63-Q89 PolarHBondContact N-O 3.27Å; Q89-T91 VanDerWaalsContact C-N 3.31Å; Q89-T91 PolarHBondContact O-N 3.4Å; Q89-V125 HydrophobicContact CG-CG1 4.33Å; Q89-Y142 HydrophobicContact CB-CD2 4.28Å; Q89-Y142 HydrophobicContact CB-CG 4.42Å; Q89-Y142 HydrophobicContact CG-CD2 4.45Å
90	E	96.4	Very high	95.5	Very high	38 Å²	38	44.6 Å²	44.6	18%	0.178	24%	0.243	C	C	.	.			trans	50.1	47.9	-172.3	-62.8	-156.2	-160.9	0	0	113.6	N62 G65 K92 G124 Y142	N62-E90 PolarHBondContact ND2-OE1 3.22Å; N62-E90 VanDerWaalsContact OD1-CB 3.31Å; N62-E90 WeakPolarHBondContact OD1-CB 3.34Å; G65-E90 WeakPolarHBondContact CA-O 3.46Å; G65-E90 PolarHBondContact N-O 3.07Å; E90-K92 PolarHBondContact O-N 3.47Å; E90-K92 WeakPolarHBondContact OE2-CE 3.45Å; E90-K92 IonicContact OE2-NZ 2.79Å; E90-K92 PolarHBondContact OE2-NZ 3.35Å; E90-G124 WeakPolarHBondContact CA-O 3.32Å; E90-G124 PolarHBondContact N-O 2.84Å; E90-Y142 HydrophobicContact CG-CD1 4Å; E90-Y142 HydrophobicContact CG-CE1 3.45Å; E90-Y142 VanDerWaalsContact CG-CE1 3.45Å; E90-Y142 VanDerWaalsContact OE1-CE1 3.25Å; E90-Y142 WeakPolarHBondContact OE1-CE1 3.15Å; E90-Y142 PolarHBondContact OE1-OH 2.78Å
91	T	96.6	Very high	95.4	Very high	1 Å²	1	41.1 Å²	41.1	1%	0.006	23%	0.227	C	C	.	.			trans	-61.7	-30.6	178.8	63.3	0	0	0	0	111.9	L66 L88 Q89 C93 W113 S123 G124	L66-T91 VanDerWaalsContact CB-O 3.25Å; L66-T91 WeakPolarHBondContact CB-O 3.39Å; L66-T91 PolarHBondContact N-O 2.99Å; L88-T91 HydrophobicContact CB-CG2 4.18Å; Q89-T91 VanDerWaalsContact C-N 3.31Å; Q89-T91 PolarHBondContact O-N 3.4Å; T91-C93 WeakPolarHBondContact O-CB 3.47Å; T91-C93 PolarHBondContact O-N 2.82Å; T91-C93 VanDerWaalsContact O-N 3.09Å; T91-W113 HydrophobicContact CG2-CE3 4.13Å; T91-W113 HydrophobicContact CG2-CZ3 3.78Å; T91-S123 PolarHBondContact N-O 2.81Å; T91-G124 PolarHBondContact N-O 2.82Å; T91-G124 VanDerWaalsContact OG1-C 3.29Å; T91-G124 WeakPolarHBondContact OG1-CA 3.49Å
92	K	95.4	Very high	95.2	Very high	53 Å²	53	40.2 Å²	40.2	23%	0.23	22%	0.223	C	C	.	.			trans	49.5	35.9	-178.4	-60.9	173	-175.6	164.8	0	111.2	D64 R67 E90 G121 S123	D64-K92 IonicContact OD1-NZ 3.32Å; D64-K92 PolarHBondContact OD1-NZ 3.45Å; R67-K92 PolarHBondContact NH2-O 2.81Å; E90-K92 PolarHBondContact O-N 3.47Å; E90-K92 WeakPolarHBondContact OE2-CE 3.45Å; E90-K92 IonicContact OE2-NZ 2.79Å; E90-K92 PolarHBondContact OE2-NZ 3.35Å; K92-G121 WeakPolarHBondContact CB-O 3.48Å; K92-G121 WeakPolarHBondContact CG-O 3.33Å; K92-S123 WeakPolarHBondContact CA-O 3.45Å; K92-S123 PolarHBondContact N-O 3.4Å
93	C	93.4	Very high	94.7	Very high	6 Å²	6	44.9 Å²	44.9	4%	0.041	23%	0.233	C	C	.	.			trans	-148	123.2	-169.3	-165.8	0	0	0	0	109.9	L66 T91 K97	L66-C93 HydrophobicContact CB-CB 4.26Å; L66-C93 HydrophobicContact CD2-CB 4.14Å; T91-C93 WeakPolarHBondContact O-CB 3.47Å; T91-C93 PolarHBondContact O-N 2.82Å; T91-C93 VanDerWaalsContact O-N 3.09Å; C93-K97 VanDerWaalsContact SG-C 3.56Å; C93-K97 PolarHBondContact SG-O 2.93Å
94	S	90.4	Very high	93.9	Very high	26 Å²	26	50.2 Å²	50.2	18%	0.182	26%	0.257	C	S	.	.			trans	-78.1	155.7	172.5	54.5	0	0	0	0	110.7	N96 K97 L98	S94-N96 VanDerWaalsContact C-N 3.29Å; S94-N96 WeakPolarHBondContact CB-OD1 3.35Å; S94-N96 PolarHBondContact O-N 3.03Å; S94-N96 PolarHBondContact OG-OD1 3.17Å; S94-K97 CarbonylContact O-C 3.5Å; S94-K97 WeakPolarHBondContact O-CA 3.49Å; S94-K97 PolarHBondContact O-N 2.82Å; S94-L98 PolarHBondContact O-N 2.97Å
95	E	88.5	Confident	93.3	Very high	119 Å²	119	49.1 Å²	49.1	56%	0.556	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-55	-40.7	-175.8	-74.4	-178.7	-129.8	0	0	113.8	K97 L98 W113	E95-K97 PolarHBondContact O-N 2.8Å; E95-K97 VanDerWaalsContact O-N 3.13Å; E95-L98 HydrophobicContact CB-CD1 4.46Å; E95-L98 WeakPolarHBondContact O-CD1 3.3Å; E95-L98 WeakPolarHBondContact O-CG 3.21Å; E95-L98 PolarHBondContact O-N 3.32Å; E95-W113 HydrophobicContact CG-CB 3.61Å; E95-W113 HydrophobicContact CG-CG 4.35Å
96	N	88.7	Confident	92.2	Very high	130 Å²	130	52.8 Å²	52.8	70%	0.695	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-68.8	-7.1	177.6	66	-33.3	0	0	0	114.6	S94	S94-N96 VanDerWaalsContact C-N 3.29Å; S94-N96 WeakPolarHBondContact CB-OD1 3.35Å; S94-N96 PolarHBondContact O-N 3.03Å; S94-N96 PolarHBondContact OG-OD1 3.17Å
97	K	91.8	Very high	91.7	Very high	86 Å²	86	54.4 Å²	54.4	37%	0.374	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-119.7	12.5	-178.9	-66.2	176.6	-179.6	160.6	0	112.1	C93 S94 E95 E120	C93-K97 VanDerWaalsContact SG-C 3.56Å; C93-K97 PolarHBondContact SG-O 2.93Å; S94-K97 CarbonylContact O-C 3.5Å; S94-K97 WeakPolarHBondContact O-CA 3.49Å; S94-K97 PolarHBondContact O-N 2.82Å; E95-K97 PolarHBondContact O-N 2.8Å; E95-K97 VanDerWaalsContact O-N 3.13Å; K97-E120 IonicContact NZ-OE1 2.79Å; K97-E120 PolarHBondContact NZ-OE1 3.12Å; K97-E120 IonicContact NZ-OE2 2.77Å; K97-E120 PolarHBondContact NZ-OE2 2.92Å
98	L	94.6	Very high	91.6	Very high	47 Å²	47	54 Å²	54	25%	0.246	29%	0.291	C	S	.	.			trans	-62.3	131.3	177.2	-71.5	170.8	0	0	0	110.6	L66 S94 E95 L102 W113	L66-L98 HydrophobicContact CD2-CD2 3.62Å; S94-L98 PolarHBondContact O-N 2.97Å; E95-L98 HydrophobicContact CB-CD1 4.46Å; E95-L98 WeakPolarHBondContact O-CD1 3.3Å; E95-L98 WeakPolarHBondContact O-CG 3.21Å; E95-L98 PolarHBondContact O-N 3.32Å; L98-L102 HydrophobicContact CB-CD1 4.13Å; L98-L102 HydrophobicContact CD2-CD1 3.91Å; L98-W113 VanDerWaalsContact CD1-CD1 3.45Å; L98-W113 HydrophobicContact CD1-CD2 3.88Å; L98-W113 HydrophobicContact CD1-CG 3.77Å; L98-W113 HydrophobicContact CD1-CZ2 4.38Å; L98-W113 HydrophobicContact CD2-CD2 3.75Å; L98-W113 HydrophobicContact CD2-CE3 3.84Å; L98-W113 HydrophobicContact CD2-CG 4.37Å; L98-W113 HydrophobicContact CD2-CH2 4.04Å; L98-W113 HydrophobicContact CD2-CZ2 3.96Å; L98-W113 HydrophobicContact CD2-CZ3 3.97Å; L98-W113 HydrophobicContact CG-CD2 4.48Å
99	P	94.9	Very high	91.5	Very high	21 Å²	21	58.5 Å²	58.5	14%	0.136	32%	0.318	C	S	.	.			trans	-64.3	144.4	177.4	-27.3	40.1	0	0	0	112.7	R67 I70 E101 L102	R67-P99 HydrophobicContact CG-CG 3.61Å; I70-P99 HydrophobicContact CD1-CB 3.68Å; I70-P99 HydrophobicContact CD1-CG 3.74Å; P99-E101 WeakPolarHBondContact CB-OE2 3.5Å; P99-E101 PolarHBondContact O-N 2.98Å; P99-L102 WeakPolarHBondContact O-CB 3.36Å; P99-L102 PolarHBondContact O-N 2.76Å
100	A	94.9	Very high	91.4	Very high	60 Å²	60	60.7 Å²	60.7	50%	0.496	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-64.6	-27.4	-176.7	0	0	0	0	0	112.5	L102 Q103	A100-L102 PolarHBondContact O-N 2.82Å; A100-Q103 VanDerWaalsContact O-CB 3.26Å; A100-Q103 WeakPolarHBondContact O-CB 3.38Å; A100-Q103 PolarHBondContact O-N 3.45Å
101	E	94.3	Very high	91.4	Very high	81 Å²	81	61.4 Å²	61.4	38%	0.379	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-58.5	-21.7	178	-59.4	93.7	140.1	0	0	112.8	I70 L75 P99 Q103 E104	I70-E101 HydrophobicContact CG2-CB 4.34Å; I70-E101 HydrophobicContact CG2-CG 4.3Å; L75-E101 HydrophobicContact CD1-CB 3.61Å; P99-E101 WeakPolarHBondContact CB-OE2 3.5Å; P99-E101 PolarHBondContact O-N 2.98Å; E101-Q103 VanDerWaalsContact C-N 3.25Å; E101-Q103 PolarHBondContact O-N 3.35Å; E101-E104 WeakPolarHBondContact O-CB 3.43Å; E101-E104 PolarHBondContact O-N 2.8Å; E101-E104 VanDerWaalsContact O-N 3.14Å
102	L	92.7	Very high	91.4	Very high	2 Å²	2	63.9 Å²	63.9	1%	0.01	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-68.4	-26	174	-67.8	163.6	0	0	0	112.5	L66 I70 L75 L98 P99 A100 E104 L105 Q111 W113	L66-L102 HydrophobicContact CD1-CD2 4.42Å; L66-L102 HydrophobicContact CD2-CD1 3.84Å; L66-L102 HydrophobicContact CG-CD1 4.48Å; I70-L102 HydrophobicContact CD1-CD2 4.45Å; I70-L102 HydrophobicContact CD1-CG 4.25Å; L75-L102 HydrophobicContact CD2-CD2 4.08Å; L98-L102 HydrophobicContact CB-CD1 4.13Å; L98-L102 HydrophobicContact CD2-CD1 3.91Å; P99-L102 WeakPolarHBondContact O-CB 3.36Å; P99-L102 PolarHBondContact O-N 2.76Å; A100-L102 PolarHBondContact O-N 2.82Å; L102-E104 PolarHBondContact O-N 2.96Å; L102-L105 HydrophobicContact CD2-CD1 4.41Å; L102-Q111 PolarHBondContact O-NE2 3.33Å; L102-W113 HydrophobicContact CD1-CH2 3.88Å; L102-W113 HydrophobicContact CD1-CZ2 3.79Å; L102-W113 HydrophobicContact CD2-CH2 4.14Å; L102-W113 HydrophobicContact CD2-CZ2 4.27Å
103	Q	87.4	Confident	91.4	Very high	169 Å²	169	62.1 Å²	62.1	79%	0.79	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-72.2	-19.5	174	-56	179.2	2	0	0	111.3	A100 E101 L105	A100-Q103 VanDerWaalsContact O-CB 3.26Å; A100-Q103 WeakPolarHBondContact O-CB 3.38Å; A100-Q103 PolarHBondContact O-N 3.45Å; E101-Q103 VanDerWaalsContact C-N 3.25Å; E101-Q103 PolarHBondContact O-N 3.35Å; Q103-L105 VanDerWaalsContact C-N 3.32Å; Q103-L105 PolarHBondContact O-N 3.27Å
104	E	81.1	Confident	91.4	Very high	119 Å²	119	63.8 Å²	63.8	56%	0.556	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-91.2	16.8	-179.1	-53.8	-179.8	-175.2	0	0	113.4	E101 L102 P106	E101-E104 WeakPolarHBondContact O-CB 3.43Å; E101-E104 PolarHBondContact O-N 2.8Å; E101-E104 VanDerWaalsContact O-N 3.14Å; L102-E104 PolarHBondContact O-N 2.96Å; E104-P106 WeakPolarHBondContact O-CD 3.48Å
105	L	86.9	Confident	91.4	Very high	6 Å²	6	64.3 Å²	64.3	3%	0.031	35%	0.351	C	S	.	.			trans	-89.2	89.9	172.7	-74.8	176.1	0	0	0	110.1	L75 V78 K79 L102 Q103 G107 L108 L128	L75-L105 HydrophobicContact CD2-CD1 3.7Å; L75-L105 HydrophobicContact CD2-CD2 3.84Å; L75-L105 HydrophobicContact CD2-CG 3.97Å; V78-L105 HydrophobicContact CG1-CD2 4.16Å; K79-L105 HydrophobicContact CG-CD2 4.05Å; L102-L105 HydrophobicContact CD2-CD1 4.41Å; Q103-L105 VanDerWaalsContact C-N 3.32Å; Q103-L105 PolarHBondContact O-N 3.27Å; L105-G107 PolarHBondContact O-N 3.31Å; L105-L108 HydrophobicContact CB-CB 4.18Å; L105-L108 HydrophobicContact CD1-CD1 4.39Å; L105-L108 PolarHBondContact O-N 2.66Å; L105-L108 VanDerWaalsContact O-N 3.16Å; L105-L128 HydrophobicContact CD1-CD2 3.71Å
106	P	75.6	Confident	91.3	Very high	114 Å²	114	60.6 Å²	60.6	74%	0.74	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	128.9	177.1	27.7	-36	0	0	0	109.2	E104	E104-P106 WeakPolarHBondContact O-CD 3.48Å
107	G	87.5	Confident	90.7	Very high	35 Å²	35	60.6 Å²	60.6	36%	0.361	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	1.8	179.5	0	0	0	0	0	115.6	L105 R130	L105-G107 PolarHBondContact O-N 3.31Å; G107-R130 WeakPolarHBondContact O-CA 3.46Å; G107-R130 WeakPolarHBondContact O-CB 3.49Å; G107-R130 VanDerWaalsContact O-CG 3.29Å; G107-R130 WeakPolarHBondContact O-CG 3.41Å
108	L	96.4	Very high	90.1	Very high	7 Å²	7	63.3 Å²	63.3	4%	0.037	37%	0.366	C	S	.	.			trans	-125	54.6	169.5	-69.7	176.2	0	0	0	110.6	V78 P83 D84 L86 L105 Q111 L128	V78-L108 HydrophobicContact CG1-CD1 4.14Å; P83-L108 HydrophobicContact CG-CD1 4.32Å; D84-L108 WeakPolarHBondContact O-CD2 3.46Å; L86-L108 HydrophobicContact CB-CD1 3.94Å; L86-L108 HydrophobicContact CD2-CD1 4.22Å; L105-L108 HydrophobicContact CB-CB 4.18Å; L105-L108 HydrophobicContact CD1-CD1 4.39Å; L105-L108 PolarHBondContact O-N 2.66Å; L105-L108 VanDerWaalsContact O-N 3.16Å; L108-Q111 PolarHBondContact O-NE2 3.14Å; L108-L128 HydrophobicContact CB-CB 4.09Å
109	T	95.3	Very high	89.3	Confident	95 Å²	95	66.6 Å²	66.6	58%	0.583	38%	0.378	S	S	*	.			trans	-81.1	-22.3	-168.6	52.3	0	0	0	0	113.9	Q111 S129	T109-Q111 PolarHBondContact O-N 3.5Å; T109-S129 PolarHBondContact N-O 3.46Å
110	H	97.2	Very high	88.6	Confident	59 Å²	59	72.1 Å²	72.1	27%	0.273	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	101.4	178.7	-59.9	-78.7	0	0	0	109.8	Y112 L128 S129 C132	H110-Y112 HydrophobicContact CB-CE2 3.96Å; H110-L128 CarbonylContact O-C 3.57Å; H110-L128 VanDerWaalsContact O-CA 3.31Å; H110-L128 WeakPolarHBondContact O-CA 3.42Å; H110-S129 WeakPolarHBondContact CB-O 3.36Å; H110-S129 PolarHBondContact N-O 3.24Å; H110-S129 VanDerWaalsContact N-O 3.1Å; H110-S129 PolarHBondContact O-N 3.14Å; H110-C132 PolarHBondContact CD2-N 3.15Å; H110-C132 VanDerWaalsContact CE1-CB 3.5Å; H110-C132 WeakPolarHBondContact CE1-CB 3.39Å; H110-C132 PolarHBondContact NE2-N 2.77Å
111	Q	96.8	Very high	88	Confident	54 Å²	54	71.4 Å²	71.4	25%	0.252	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	131.1	-172.5	-50.2	-173.8	5.6	0	0	111.4	L102 L108 T109 L127 L128	L102-Q111 PolarHBondContact O-NE2 3.33Å; L108-Q111 PolarHBondContact O-NE2 3.14Å; T109-Q111 PolarHBondContact O-N 3.5Å; Q111-L127 CarbonylContact C-O 3.58Å; Q111-L127 WeakPolarHBondContact CA-O 3.44Å; Q111-L128 HydrophobicContact CB-CG 4.21Å; Q111-L128 HydrophobicContact CG-CB 4.31Å; Q111-L128 HydrophobicContact CG-CD2 3.84Å; Q111-L128 HydrophobicContact CG-CG 3.83Å
112	Y	96.1	Very high	87.5	Confident	52 Å²	52	72.2 Å²	72.2	20%	0.204	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	133.3	-178.6	-53.4	-86.3	0	0	0	108.7	H110 G126 L127 P133 V136	H110-Y112 HydrophobicContact CB-CE2 3.96Å; Y112-G126 CarbonylContact O-C 3.54Å; Y112-G126 WeakPolarHBondContact O-CA 3.08Å; Y112-L127 HydrophobicContact CD2-CD2 3.94Å; Y112-L127 PolarHBondContact N-O 2.9Å; Y112-L127 PolarHBondContact O-N 2.88Å; Y112-P133 HydrophobicContact CE2-CG 3.76Å; Y112-P133 WeakPolarHBondContact OH-CD 3.41Å; Y112-V136 HydrophobicContact CD1-CB 4Å; Y112-V136 HydrophobicContact CD1-CG1 3.86Å; Y112-V136 HydrophobicContact CD1-CG2 3.75Å; Y112-V136 HydrophobicContact CD2-CG2 4.03Å; Y112-V136 HydrophobicContact CE1-CB 4.09Å; Y112-V136 HydrophobicContact CE1-CG1 4.45Å; Y112-V136 HydrophobicContact CE1-CG2 3.56Å; Y112-V136 HydrophobicContact CE2-CG2 3.86Å; Y112-V136 HydrophobicContact CG-CB 4.45Å; Y112-V136 HydrophobicContact CG-CG1 4Å; Y112-V136 HydrophobicContact CG-CG2 3.98Å
113	W	95	Very high	87.4	Confident	16 Å²	16	73.1 Å²	73.1	6%	0.061	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	149.6	-172.8	-59.6	92.8	0	0	0	109.7	L66 L88 T91 E95 L98 L102 L128 Y138	L66-W113 HydrophobicContact CD1-CH2 4.37Å; L66-W113 HydrophobicContact CD2-CH2 3.82Å; L66-W113 HydrophobicContact CD2-CZ3 3.72Å; L88-W113 HydrophobicContact CD1-CH2 4.09Å; L88-W113 HydrophobicContact CD1-CZ3 4.32Å; T91-W113 HydrophobicContact CG2-CE3 4.13Å; T91-W113 HydrophobicContact CG2-CZ3 3.78Å; E95-W113 HydrophobicContact CG-CB 3.61Å; E95-W113 HydrophobicContact CG-CG 4.35Å; L98-W113 VanDerWaalsContact CD1-CD1 3.45Å; L98-W113 HydrophobicContact CD1-CD2 3.88Å; L98-W113 HydrophobicContact CD1-CG 3.77Å; L98-W113 HydrophobicContact CD1-CZ2 4.38Å; L98-W113 HydrophobicContact CD2-CD2 3.75Å; L98-W113 HydrophobicContact CD2-CE3 3.84Å; L98-W113 HydrophobicContact CD2-CG 4.37Å; L98-W113 HydrophobicContact CD2-CH2 4.04Å; L98-W113 HydrophobicContact CD2-CZ2 3.96Å; L98-W113 HydrophobicContact CD2-CZ3 3.97Å; L98-W113 HydrophobicContact CG-CD2 4.48Å; L102-W113 HydrophobicContact CD1-CH2 3.88Å; L102-W113 HydrophobicContact CD1-CZ2 3.79Å; L102-W113 HydrophobicContact CD2-CH2 4.14Å; L102-W113 HydrophobicContact CD2-CZ2 4.27Å; W113-L128 HydrophobicContact CH2-CD1 4.04Å; W113-L128 HydrophobicContact CZ2-CD1 4.06Å; W113-L128 HydrophobicContact CZ2-CD2 4.41Å; W113-L128 HydrophobicContact CZ2-CG 4.38Å; W113-Y138 VanDerWaalsContact O-CE1 3.31Å; W113-Y138 WeakPolarHBondContact O-CE1 3.22Å
114	S	93.6	Very high	87.7	Confident	42 Å²	42	65.1 Å²	65.1	29%	0.294	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	121.6	173.2	-172.1	0	0	0	0	108.7	G124 V125	S114-G124 CarbonylContact O-C 3.58Å; S114-G124 WeakPolarHBondContact O-CA 3.24Å; S114-V125 PolarHBondContact N-O 3.03Å; S114-V125 PolarHBondContact O-N 3.16Å
115	A	90.8	Very high	88.4	Confident	37 Å²	37	60.8 Å²	60.8	31%	0.306	35%	0.353	S	S	.	.			trans	-126.3	150.1	178	0	0	0	0	0	109.9	S117	A115-S117 PolarHBondContact O-N 3.38Å
116	P	85.4	Confident	88.9	Confident	40 Å²	40	60.8 Å²	60.8	26%	0.26	35%	0.354	S	S	.	.			trans	-59.8	131	172.4	-20.3	32.2	0	0	0	110.9	D118 Y122	P116-D118 VanDerWaalsContact C-N 3.33Å; P116-D118 WeakPolarHBondContact CB-OD1 3.45Å; P116-Y122 VanDerWaalsContact CD-O 3.22Å; P116-Y122 WeakPolarHBondContact CD-O 3.28Å; P116-Y122 HydrophobicContact CG-CD1 4.42Å; P116-Y122 WeakPolarHBondContact CG-O 3.27Å
117	S	77.3	Confident	89.9	Confident	130 Å²	130	58.4 Å²	58.4	91%	0.909	34%	0.335	S	S	*	.	S	Bend	trans	-76.7	-23	177.8	54	0	0	0	0	113.1	A115	A115-S117 PolarHBondContact O-N 3.38Å
118	D	77.7	Confident	90.4	Very high	144 Å²	144	56.7 Å²	56.7	77%	0.77	32%	0.318	S	S	*	.	S	Bend	trans	-96.4	-12.9	-172.5	62.1	-23.1	0	0	0	113.6	P116	P116-D118 VanDerWaalsContact C-N 3.33Å; P116-D118 WeakPolarHBondContact CB-OD1 3.45Å
119	K	78.9	Confident	90.5	Very high	115 Å²	115	56.8 Å²	56.8	50%	0.5	32%	0.319	S	S	.	.	S	Bend	trans	-146.7	96.2	-177.7	-164.9	174.4	178.5	-177.9	0	112.5	Y122	K119-Y122 HydrophobicContact CD-CD1 3.89Å; K119-Y122 HydrophobicContact CD-CD2 4.37Å; K119-Y122 HydrophobicContact CD-CG 3.72Å; K119-Y122 HydrophobicContact CG-CG 4.26Å
120	E	79.6	Confident	90.6	Very high	137 Å²	137	58 Å²	58	64%	0.64	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	145.7	173.4	-72.5	-154.8	149.4	0	0	112	K97 Y122	K97-E120 IonicContact NZ-OE1 2.79Å; K97-E120 PolarHBondContact NZ-OE1 3.12Å; K97-E120 IonicContact NZ-OE2 2.77Å; K97-E120 PolarHBondContact NZ-OE2 2.92Å; E120-Y122 PolarHBondContact O-N 3.49Å
121	G	82.8	Confident	90.6	Very high	46 Å²	46	61.3 Å²	61.3	47%	0.474	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.3	10.6	175.3	0	0	0	0	0	114.9	K92	K92-G121 WeakPolarHBondContact CB-O 3.48Å; K92-G121 WeakPolarHBondContact CG-O 3.33Å
122	Y	84.2	Confident	90.6	Very high	98 Å²	98	62.6 Å²	62.6	38%	0.384	34%	0.342	S	S	.	.	S	Bend	trans	-118.3	144.1	178.7	-178.8	-104.8	0	0	0	111.1	P116 K119 E120 R152	P116-Y122 VanDerWaalsContact CD-O 3.22Å; P116-Y122 WeakPolarHBondContact CD-O 3.28Å; P116-Y122 HydrophobicContact CG-CD1 4.42Å; P116-Y122 WeakPolarHBondContact CG-O 3.27Å; K119-Y122 HydrophobicContact CD-CD1 3.89Å; K119-Y122 HydrophobicContact CD-CD2 4.37Å; K119-Y122 HydrophobicContact CD-CG 3.72Å; K119-Y122 HydrophobicContact CG-CG 4.26Å; E120-Y122 PolarHBondContact O-N 3.49Å; Y122-R152 PolarHBondContact OH-NH1 2.69Å; Y122-R152 VanDerWaalsContact OH-NH1 3.14Å
123	S	89.4	Confident	90.7	Very high	20 Å²	20	62 Å²	62	14%	0.14	35%	0.345	C	S	.	.			trans	51.9	-141.3	178.3	-169.3	0	0	0	0	112.2	T91 K92	T91-S123 PolarHBondContact N-O 2.81Å; K92-S123 WeakPolarHBondContact CA-O 3.45Å; K92-S123 PolarHBondContact N-O 3.4Å
124	G	93.9	Very high	90.8	Very high	2 Å²	2	69.2 Å²	69.2	2%	0.021	38%	0.384	C	S	.	.			trans	96.8	141.2	177.5	0	0	0	0	0	112.9	E90 T91 S114	E90-G124 WeakPolarHBondContact CA-O 3.32Å; E90-G124 PolarHBondContact N-O 2.84Å; T91-G124 PolarHBondContact N-O 2.82Å; T91-G124 VanDerWaalsContact OG1-C 3.29Å; T91-G124 WeakPolarHBondContact OG1-CA 3.49Å; S114-G124 CarbonylContact O-C 3.58Å; S114-G124 WeakPolarHBondContact O-CA 3.24Å
125	V	96.4	Very high	90.9	Very high	28 Å²	28	75.3 Å²	75.3	17%	0.17	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	153.7	179.7	-62.6	0	0	0	0	110.7	L88 Q89 S114	L88-V125 CarbonylContact O-C 3.49Å; L88-V125 VanDerWaalsContact O-CA 3.23Å; L88-V125 WeakPolarHBondContact O-CA 3.4Å; Q89-V125 HydrophobicContact CG-CG1 4.33Å; S114-V125 PolarHBondContact N-O 3.03Å; S114-V125 PolarHBondContact O-N 3.16Å
126	G	96.7	Very high	91.1	Very high	6 Å²	6	75.9 Å²	75.9	6%	0.062	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.3	174.8	0	0	0	0	0	111.2	C87 L88 Y112	C87-G126 CarbonylContact C-O 3.53Å; C87-G126 WeakPolarHBondContact CA-O 3.43Å; L88-G126 PolarHBondContact N-O 3.22Å; L88-G126 PolarHBondContact O-N 2.68Å; Y112-G126 CarbonylContact O-C 3.54Å; Y112-G126 WeakPolarHBondContact O-CA 3.08Å
127	L	97.6	Very high	91.4	Very high	63 Å²	63	77.8 Å²	77.8	33%	0.33	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	120	170.6	-174	154.8	0	0	0	107.9	I85 L86 Q111 Y112	I85-L127 HydrophobicContact CG2-CG 4.46Å; L86-L127 WeakPolarHBondContact O-CA 3.21Å; Q111-L127 CarbonylContact C-O 3.58Å; Q111-L127 WeakPolarHBondContact CA-O 3.44Å; Y112-L127 HydrophobicContact CD2-CD2 3.94Å; Y112-L127 PolarHBondContact N-O 2.9Å; Y112-L127 PolarHBondContact O-N 2.88Å
128	L	98.2	Very high	91.9	Very high	0 Å²	0	78.1 Å²	78.1	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	136.9	175.5	-56.6	79.8	0	0	0	108.4	I85 L86 L88 L105 L108 H110 Q111 W113	I85-L128 CarbonylContact C-O 3.51Å; I85-L128 WeakPolarHBondContact CA-O 3.5Å; L86-L128 HydrophobicContact CB-CB 4.33Å; L86-L128 HydrophobicContact CD2-CD1 4.34Å; L86-L128 PolarHBondContact N-O 2.74Å; L86-L128 PolarHBondContact O-N 3.33Å; L88-L128 HydrophobicContact CD1-CD1 4.05Å; L88-L128 HydrophobicContact CG-CD1 4.31Å; L105-L128 HydrophobicContact CD1-CD2 3.71Å; L108-L128 HydrophobicContact CB-CB 4.09Å; H110-L128 CarbonylContact O-C 3.57Å; H110-L128 VanDerWaalsContact O-CA 3.31Å; H110-L128 WeakPolarHBondContact O-CA 3.42Å; Q111-L128 HydrophobicContact CB-CG 4.21Å; Q111-L128 HydrophobicContact CG-CB 4.31Å; Q111-L128 HydrophobicContact CG-CD2 3.84Å; Q111-L128 HydrophobicContact CG-CG 3.83Å; W113-L128 HydrophobicContact CH2-CD1 4.04Å; W113-L128 HydrophobicContact CZ2-CD1 4.06Å; W113-L128 HydrophobicContact CZ2-CD2 4.41Å; W113-L128 HydrophobicContact CZ2-CG 4.38Å
129	S	98.4	Very high	91.7	Very high	9 Å²	9	74.9 Å²	74.9	6%	0.063	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	145.2	-174.3	-178.5	0	0	0	0	112	T109 H110 Q131	T109-S129 PolarHBondContact N-O 3.46Å; H110-S129 WeakPolarHBondContact CB-O 3.36Å; H110-S129 PolarHBondContact N-O 3.24Å; H110-S129 VanDerWaalsContact N-O 3.1Å; H110-S129 PolarHBondContact O-N 3.14Å; S129-Q131 WeakPolarHBondContact CB-O 3.26Å; S129-Q131 PolarHBondContact OG-N 3.32Å; S129-Q131 PolarHBondContact OG-O 3.25Å
130	R	97.5	Very high	91.1	Very high	119 Å²	119	72.7 Å²	72.7	45%	0.449	40%	0.395	S	S	.	.	S	Bend	trans	-70.5	-41.3	172.7	-175.1	170.6	65.3	97.9	-4.5	113	D84 G107	D84-R130 WeakPolarHBondContact O-CB 3.35Å; D84-R130 PolarHBondContact O-N 3Å; D84-R130 IonicContact OD1-CZ 2.8Å; D84-R130 IonicContact OD1-NE 2.9Å; D84-R130 PolarHBondContact OD1-NE 3.45Å; D84-R130 IonicContact OD1-NH2 3.34Å; D84-R130 PolarHBondContact OD1-NH2 3Å; G107-R130 WeakPolarHBondContact O-CA 3.46Å; G107-R130 WeakPolarHBondContact O-CB 3.49Å; G107-R130 VanDerWaalsContact O-CG 3.29Å; G107-R130 WeakPolarHBondContact O-CG 3.41Å
131	Q	97.3	Very high	90.3	Very high	129 Å²	129	68.5 Å²	68.5	60%	0.603	38%	0.383	S	S	*	.	S	Bend	trans	-105.4	144.7	177.9	-63.9	-174.5	-2.7	0	0	110	S129 P133	S129-Q131 WeakPolarHBondContact CB-O 3.26Å; S129-Q131 PolarHBondContact OG-N 3.32Å; S129-Q131 PolarHBondContact OG-O 3.25Å; Q131-P133 VanDerWaalsContact O-CD 3.25Å; Q131-P133 WeakPolarHBondContact O-CD 3.18Å
132	C	96.8	Very high	90.1	Very high	82 Å²	82	67.7 Å²	67.7	55%	0.554	37%	0.366	S	S	*	.			trans	-63.8	118.8	177	-166.4	0	0	0	0	110.1	H110	H110-C132 PolarHBondContact CD2-N 3.15Å; H110-C132 VanDerWaalsContact CE1-CB 3.5Å; H110-C132 WeakPolarHBondContact CE1-CB 3.39Å; H110-C132 PolarHBondContact NE2-N 2.77Å
133	P	96.9	Very high	90.3	Very high	40 Å²	40	63.4 Å²	63.4	26%	0.26	35%	0.35	S	S	.	.			trans	-61.2	142.6	174	-21.2	33.4	0	0	0	111.4	Y112 Q131 K135 V136	Y112-P133 HydrophobicContact CE2-CG 3.76Å; Y112-P133 WeakPolarHBondContact OH-CD 3.41Å; Q131-P133 VanDerWaalsContact O-CD 3.25Å; Q131-P133 WeakPolarHBondContact O-CD 3.18Å; P133-K135 PolarHBondContact O-N 2.78Å; P133-V136 HydrophobicContact CB-CG2 3.87Å; P133-V136 HydrophobicContact CG-CG2 4.01Å
134	L	96.6	Very high	90.4	Very high	166 Å²	166	63 Å²	63	87%	0.869	35%	0.347	S	S	*	.	S	Bend	trans	-59.2	-34.6	176.9	-63.2	177.2	0	0	0	112.8
135	K	95.9	Very high	90.5	Very high	171 Å²	171	65.9 Å²	65.9	74%	0.743	36%	0.362	S	S	*	.			trans	-157.2	136.1	177.8	-176.4	174	178.8	176.8	0	109.3	P133 S137	P133-K135 PolarHBondContact O-N 2.78Å; K135-S137 WeakPolarHBondContact CE-OG 3.23Å
136	V	95.1	Very high	90.4	Very high	48 Å²	48	64.6 Å²	64.6	29%	0.291	35%	0.354	S	S	.	.			trans	-112.6	140.5	167.6	-179	0	0	0	0	108.4	Y112 P133 Y138	Y112-V136 HydrophobicContact CD1-CB 4Å; Y112-V136 HydrophobicContact CD1-CG1 3.86Å; Y112-V136 HydrophobicContact CD1-CG2 3.75Å; Y112-V136 HydrophobicContact CD2-CG2 4.03Å; Y112-V136 HydrophobicContact CE1-CB 4.09Å; Y112-V136 HydrophobicContact CE1-CG1 4.45Å; Y112-V136 HydrophobicContact CE1-CG2 3.56Å; Y112-V136 HydrophobicContact CE2-CG2 3.86Å; Y112-V136 HydrophobicContact CG-CB 4.45Å; Y112-V136 HydrophobicContact CG-CG1 4Å; Y112-V136 HydrophobicContact CG-CG2 3.98Å; P133-V136 HydrophobicContact CB-CG2 3.87Å; P133-V136 HydrophobicContact CG-CG2 4.01Å; V136-Y138 HydrophobicContact CG1-CE1 4.43Å; V136-Y138 HydrophobicContact CG1-CE2 4.46Å
137	S	91.3	Very high	90.2	Very high	80 Å²	80	65 Å²	65	56%	0.559	36%	0.358	S	S	*	.			trans	-139.8	143.9	176.3	-62.2	0	0	0	0	108.6	K135	K135-S137 WeakPolarHBondContact CE-OG 3.23Å
138	Y	87.8	Confident	89.8	Confident	138 Å²	138	73.5 Å²	73.5	54%	0.541	39%	0.386	S	S	.	.			trans	-104.4	165	-176.9	-57.2	-83.8	0	0	0	110.3	W113 V136	W113-Y138 VanDerWaalsContact O-CE1 3.31Å; W113-Y138 WeakPolarHBondContact O-CE1 3.22Å; V136-Y138 HydrophobicContact CG1-CE1 4.43Å; V136-Y138 HydrophobicContact CG1-CE2 4.46Å
139	G	74.1	Confident	89.6	Confident	75 Å²	75	76.9 Å²	76.9	77%	0.773	42%	0.42	S	S	*	.			trans	119.9	-5.8	179.5	0	0	0	0	0	114.6
140	I	67.6	Low	89.4	Confident	70 Å²	70	78.8 Å²	78.8	36%	0.359	43%	0.43	S	S	.	.			trans	-98.3	100.8	168.9	-52.2	164.7	0	0	0	107.4	F163 F166	I140-F163 HydrophobicContact CG1-CE2 4.48Å; I140-F163 HydrophobicContact CG2-CD2 4.36Å; I140-F163 HydrophobicContact CG2-CE2 3.44Å; I140-F163 VanDerWaalsContact CG2-CE2 3.44Å; I140-F163 HydrophobicContact CG2-CZ 3.95Å; I140-F166 HydrophobicContact CD1-CD1 4.33Å; I140-F166 HydrophobicContact CD1-CE1 3.23Å; I140-F166 HydrophobicContact CD1-CZ 3.61Å; I140-F166 HydrophobicContact CG1-CD1 4.14Å; I140-F166 HydrophobicContact CG1-CE1 3.32Å; I140-F166 HydrophobicContact CG1-CZ 3.64Å
141	A	62.6	Low	89.4	Confident	49 Å²	49	78.8 Å²	78.8	41%	0.405	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-84.8	161.7	172.1	0	0	0	0	0	110.7	W159	A141-W159 WeakPolarHBondContact O-CZ2 3.33Å
142	Y	78.4	Confident	89.3	Confident	29 Å²	29	76.5 Å²	76.5	11%	0.114	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-52.4	137	164.3	159.4	-124.8	0	0	0	111.3	Q89 E90 D181 N183	Q89-Y142 HydrophobicContact CB-CD2 4.28Å; Q89-Y142 HydrophobicContact CB-CG 4.42Å; Q89-Y142 HydrophobicContact CG-CD2 4.45Å; E90-Y142 HydrophobicContact CG-CD1 4Å; E90-Y142 HydrophobicContact CG-CE1 3.45Å; E90-Y142 VanDerWaalsContact CG-CE1 3.45Å; E90-Y142 VanDerWaalsContact OE1-CE1 3.25Å; E90-Y142 WeakPolarHBondContact OE1-CE1 3.15Å; E90-Y142 PolarHBondContact OE1-OH 2.78Å; Y142-D181 HydrophobicContact CD2-CB 4.06Å; Y142-D181 WeakPolarHBondContact CD2-O 3.45Å; Y142-D181 HydrophobicContact CE2-CB 3.42Å; Y142-D181 VanDerWaalsContact CE2-CB 3.42Å; Y142-D181 VanDerWaalsContact CE2-O 3.26Å; Y142-D181 WeakPolarHBondContact CE2-O 3.48Å; Y142-D181 WeakPolarHBondContact CE2-OD2 3.28Å; Y142-D181 PolarHBondContact OH-OD2 2.85Å; Y142-N183 WeakPolarHBondContact CE2-ND2 3.37Å; Y142-N183 PolarHBondContact OH-ND2 3.29Å
143	V	88.4	Confident	89.3	Confident	7 Å²	7	73.5 Å²	73.5	4%	0.042	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-57.2	129.3	-173.7	-178.7	0	0	0	0	110.1	N145 R156 W159 L182 N183	V143-N145 PolarHBondContact O-N 3.35Å; V143-R156 VanDerWaalsContact CG1-CZ 3.49Å; V143-W159 HydrophobicContact CB-CH2 4.3Å; V143-W159 HydrophobicContact CB-CZ3 4.16Å; V143-W159 HydrophobicContact CG1-CE3 4.23Å; V143-W159 HydrophobicContact CG1-CZ3 3.94Å; V143-W159 HydrophobicContact CG2-CH2 3.7Å; V143-W159 HydrophobicContact CG2-CZ3 3.7Å; V143-L182 WeakPolarHBondContact CG1-O 3.39Å; V143-L182 HydrophobicContact CG2-CB 4.28Å; V143-L182 HydrophobicContact CG2-CD2 3.63Å; V143-N183 HydrophobicContact CB-CB 4.48Å; V143-N183 HydrophobicContact CG1-CB 4.29Å; V143-N183 PolarHBondContact O-ND2 3.39Å
144	P	92	Very high	89.4	Confident	12 Å²	12	78.6 Å²	78.6	8%	0.078	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-70.5	128.5	-177	28.3	-35.1	0	0	0	112.1	Y155 R156 W159	P144-Y155 HydrophobicContact CB-CD1 3.98Å; P144-Y155 HydrophobicContact CB-CE1 3.65Å; P144-Y155 HydrophobicContact CG-CD1 4.04Å; P144-Y155 HydrophobicContact CG-CE1 3.71Å; P144-R156 WeakPolarHBondContact O-CD 3.24Å; P144-W159 VanDerWaalsContact CD-CD2 3.43Å; P144-W159 HydrophobicContact CG-CB 3.9Å; P144-W159 HydrophobicContact CG-CD2 3.97Å; P144-W159 HydrophobicContact CG-CE3 4.45Å; P144-W159 HydrophobicContact CG-CG 3.67Å
145	N	94.4	Very high	89.3	Confident	63 Å²	63	75.5 Å²	75.5	34%	0.337	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-63.6	137.6	169.2	-168.9	-81.4	0	0	0	111	V143 G147 N183	V143-N145 PolarHBondContact O-N 3.35Å; N145-G147 PolarHBondContact O-N 3.01Å; N145-G147 VanDerWaalsContact O-N 3.12Å; N145-G147 WeakPolarHBondContact OD1-CA 3.39Å; N145-G147 PolarHBondContact OD1-N 2.88Å; N145-N183 PolarHBondContact ND2-OD1 2.84Å
146	A	94.8	Very high	89.4	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	37%	0.37	C	S	.	.			trans	-65.9	-11	178	0	0	0	0	0	113.8	L150 V151 R152 L153 A201 E207	A146-L150 HydrophobicContact CB-CD2 4.25Å; A146-L150 CarbonylContact O-C 3.42Å; A146-L150 VanDerWaalsContact O-C 3.3Å; A146-L150 WeakPolarHBondContact O-CA 3.32Å; A146-V151 PolarHBondContact O-N 3.49Å; A146-R152 CarbonylContact O-C 3.4Å; A146-R152 WeakPolarHBondContact O-CA 3.29Å; A146-R152 WeakPolarHBondContact O-CB 3.45Å; A146-R152 PolarHBondContact O-N 2.8Å; A146-L153 HydrophobicContact CB-CB 4.22Å; A146-L153 HydrophobicContact CB-CD1 3.96Å; A146-A201 HydrophobicContact CB-CB 3.88Å; A146-E207 VanDerWaalsContact CB-OE1 3.31Å; A146-E207 WeakPolarHBondContact CB-OE1 3.46Å
147	G	91.7	Very high	89.5	Confident	14 Å²	14	69.3 Å²	69.3	14%	0.144	38%	0.375	C	S	.	.			trans	82	158.2	173.6	0	0	0	0	0	113.4	N145 G149 L150	N145-G147 PolarHBondContact O-N 3.01Å; N145-G147 VanDerWaalsContact O-N 3.12Å; N145-G147 WeakPolarHBondContact OD1-CA 3.39Å; N145-G147 PolarHBondContact OD1-N 2.88Å; G147-G149 PolarHBondContact O-N 3.17Å; G147-L150 WeakPolarHBondContact O-CA 3.38Å; G147-L150 PolarHBondContact O-N 3.47Å
148	R	89.9	Confident	89.8	Confident	243 Å²	243	73.2 Å²	73.2	92%	0.917	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-59.3	131.2	174.5	-171.2	-179.9	-174.1	-137.5	1.8	109.7	L150	R148-L150 PolarHBondContact O-N 2.89Å
149	G	93.6	Very high	90.2	Very high	70 Å²	70	68.6 Å²	68.6	72%	0.722	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	69.6	15.3	-175.2	0	0	0	0	0	114	G147 V151	G147-G149 PolarHBondContact O-N 3.17Å; G149-V151 PolarHBondContact O-N 3.09Å
150	L	95.1	Very high	91.3	Very high	50 Å²	50	65.9 Å²	65.9	26%	0.262	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	62.6	23.6	175.3	-52.8	179.3	0	0	0	114.5	A146 G147 R148 R152 L153 A201 T204	A146-L150 HydrophobicContact CB-CD2 4.25Å; A146-L150 CarbonylContact O-C 3.42Å; A146-L150 VanDerWaalsContact O-C 3.3Å; A146-L150 WeakPolarHBondContact O-CA 3.32Å; G147-L150 WeakPolarHBondContact O-CA 3.38Å; G147-L150 PolarHBondContact O-N 3.47Å; R148-L150 PolarHBondContact O-N 2.89Å; L150-R152 PolarHBondContact O-N 2.8Å; L150-L153 HydrophobicContact CB-CB 4.1Å; L150-L153 HydrophobicContact CB-CD2 4.41Å; L150-L153 HydrophobicContact CD1-CD2 4.21Å; L150-L153 WeakPolarHBondContact O-CB 3.5Å; L150-L153 PolarHBondContact O-N 2.95Å; L150-A201 HydrophobicContact CD2-CB 4.23Å; L150-T204 HydrophobicContact CD1-CG2 3.82Å; L150-T204 HydrophobicContact CD2-CG2 3.56Å; L150-T204 HydrophobicContact CG-CG2 4.35Å
151	V	96.6	Very high	92.6	Very high	119 Å²	119	66.6 Å²	66.6	72%	0.721	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.5	-176.7	-65.8	0	0	0	0	114.6	A146 G149	A146-V151 PolarHBondContact O-N 3.49Å; G149-V151 PolarHBondContact O-N 3.09Å
152	R	95.9	Very high	94.2	Very high	81 Å²	81	67.1 Å²	67.1	31%	0.306	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.1	13.1	177.5	-65.6	-176.5	70.8	-166.8	3.5	113.1	Y122 A146 L150 E154 Y155 R156	Y122-R152 PolarHBondContact OH-NH1 2.69Å; Y122-R152 VanDerWaalsContact OH-NH1 3.14Å; A146-R152 CarbonylContact O-C 3.4Å; A146-R152 WeakPolarHBondContact O-CA 3.29Å; A146-R152 WeakPolarHBondContact O-CB 3.45Å; A146-R152 PolarHBondContact O-N 2.8Å; L150-R152 PolarHBondContact O-N 2.8Å; R152-E154 VanDerWaalsContact C-N 3.34Å; R152-E154 PolarHBondContact O-N 2.78Å; R152-Y155 VanDerWaalsContact NH2-CD1 3.34Å; R152-Y155 WeakPolarHBondContact O-CB 3.17Å; R152-Y155 PolarHBondContact O-N 2.74Å; R152-Y155 VanDerWaalsContact O-N 3.08Å; R152-R156 PolarHBondContact O-N 2.81Å
153	L	97.3	Very high	95	Very high	18 Å²	18	66.5 Å²	66.5	9%	0.094	33%	0.331	C	S	.	.	H	α-helix	trans	-59.5	-43	-177.2	-177.6	60.9	0	0	0	112.4	A146 L150 Y155 R156 Q157 T204 Q206 E207	A146-L153 HydrophobicContact CB-CB 4.22Å; A146-L153 HydrophobicContact CB-CD1 3.96Å; L150-L153 HydrophobicContact CB-CB 4.1Å; L150-L153 HydrophobicContact CB-CD2 4.41Å; L150-L153 HydrophobicContact CD1-CD2 4.21Å; L150-L153 WeakPolarHBondContact O-CB 3.5Å; L150-L153 PolarHBondContact O-N 2.95Å; L153-Y155 VanDerWaalsContact C-N 3.29Å; L153-Y155 PolarHBondContact O-N 2.83Å; L153-R156 WeakPolarHBondContact O-CB 3.31Å; L153-R156 PolarHBondContact O-N 2.74Å; L153-R156 VanDerWaalsContact O-N 3.13Å; L153-Q157 WeakPolarHBondContact O-CG 3.43Å; L153-Q157 PolarHBondContact O-N 2.89Å; L153-T204 HydrophobicContact CD2-CG2 4.45Å; L153-Q206 HydrophobicContact CD1-CB 4.3Å; L153-Q206 HydrophobicContact CD2-CG 4.47Å; L153-E207 HydrophobicContact CD1-CG 3.94Å
154	E	97.4	Very high	95.3	Very high	148 Å²	148	68.3 Å²	68.3	69%	0.692	34%	0.337	S	S	*	.	H	α-helix	trans	-63.8	-34.7	176.2	-66.3	-175.7	172.8	0	0	112.8	R152 R158	R152-E154 VanDerWaalsContact C-N 3.34Å; R152-E154 PolarHBondContact O-N 2.78Å; E154-R158 WeakPolarHBondContact O-CG 3.41Å; E154-R158 PolarHBondContact O-N 2.92Å; E154-R158 PolarHBondContact O-NE 3.38Å
155	Y	96.4	Very high	95.5	Very high	100 Å²	100	73.8 Å²	73.8	39%	0.392	36%	0.359	S	S	.	.	H	α-helix	trans	-66.3	-44.6	173	175	-95.4	0	0	0	110.7	P144 R152 L153 Q157 R158 W159	P144-Y155 HydrophobicContact CB-CD1 3.98Å; P144-Y155 HydrophobicContact CB-CE1 3.65Å; P144-Y155 HydrophobicContact CG-CD1 4.04Å; P144-Y155 HydrophobicContact CG-CE1 3.71Å; R152-Y155 VanDerWaalsContact NH2-CD1 3.34Å; R152-Y155 WeakPolarHBondContact O-CB 3.17Å; R152-Y155 PolarHBondContact O-N 2.74Å; R152-Y155 VanDerWaalsContact O-N 3.08Å; L153-Y155 VanDerWaalsContact C-N 3.29Å; L153-Y155 PolarHBondContact O-N 2.83Å; Y155-Q157 PolarHBondContact O-N 3.46Å; Y155-R158 PolarHBondContact O-N 2.84Å; Y155-W159 WeakPolarHBondContact O-CB 3.48Å; Y155-W159 PolarHBondContact O-N 3Å
156	R	97.2	Very high	95.5	Very high	5 Å²	5	74.9 Å²	74.9	2%	0.019	36%	0.361	C	S	.	.	H	α-helix	trans	-57.1	-46.9	175.2	166.7	58.6	-177.1	-86.4	11.7	111.7	V143 P144 R152 L153 R158 W159 D160 L182 N183 E207	V143-R156 VanDerWaalsContact CG1-CZ 3.49Å; P144-R156 WeakPolarHBondContact O-CD 3.24Å; R152-R156 PolarHBondContact O-N 2.81Å; L153-R156 WeakPolarHBondContact O-CB 3.31Å; L153-R156 PolarHBondContact O-N 2.74Å; L153-R156 VanDerWaalsContact O-N 3.13Å; R156-R158 PolarHBondContact O-N 3.32Å; R156-W159 WeakPolarHBondContact O-CB 3.33Å; R156-W159 PolarHBondContact O-N 2.59Å; R156-W159 VanDerWaalsContact O-N 3.17Å; R156-D160 WeakPolarHBondContact CD-OD1 3.49Å; R156-D160 IonicContact CZ-OD1 3.5Å; R156-D160 IonicContact CZ-OD2 3.55Å; R156-D160 VanDerWaalsContact NE-CG 3.26Å; R156-D160 IonicContact NE-OD1 2.82Å; R156-D160 PolarHBondContact NE-OD1 3.48Å; R156-D160 IonicContact NE-OD2 3.7Å; R156-D160 PolarHBondContact NE-OD2 3.34Å; R156-D160 IonicContact NH2-OD1 3.9Å; R156-D160 IonicContact NH2-OD2 3.03Å; R156-D160 PolarHBondContact O-N 3.23Å; R156-L182 PolarHBondContact NH2-O 2.84Å; R156-N183 PolarHBondContact NH1-O 2.76Å; R156-E207 HydrophobicContact CG-CG 4.07Å; R156-E207 IonicContact NH1-OE1 2.66Å; R156-E207 PolarHBondContact NH1-OE1 3.14Å
157	Q	97.7	Very high	95.5	Very high	84 Å²	84	75 Å²	75	39%	0.393	36%	0.362	S	S	.	.	H	α-helix	trans	-62.5	-43.6	179.3	-69.1	178.6	-88.2	0	0	113	L153 Y155 W159 D160 E161 Q206	L153-Q157 WeakPolarHBondContact O-CG 3.43Å; L153-Q157 PolarHBondContact O-N 2.89Å; Y155-Q157 PolarHBondContact O-N 3.46Å; Q157-W159 VanDerWaalsContact C-N 3.29Å; Q157-W159 PolarHBondContact O-N 2.68Å; Q157-D160 PolarHBondContact O-N 3.38Å; Q157-E161 PolarHBondContact O-N 2.84Å; Q157-E161 VanDerWaalsContact O-N 3.12Å; Q157-Q206 HydrophobicContact CG-CB 4.26Å
158	R	97.1	Very high	95.7	Very high	163 Å²	163	80.4 Å²	80.4	62%	0.615	38%	0.381	S	S	*	.	H	α-helix	trans	-63.1	-38.3	174.6	-73	-176.2	-70.1	-178.6	-3.4	111.9	E154 Y155 R156 A162	E154-R158 WeakPolarHBondContact O-CG 3.41Å; E154-R158 PolarHBondContact O-N 2.92Å; E154-R158 PolarHBondContact O-NE 3.38Å; Y155-R158 PolarHBondContact O-N 2.84Å; R156-R158 PolarHBondContact O-N 3.32Å; R158-A162 PolarHBondContact O-N 2.67Å; R158-A162 VanDerWaalsContact O-N 3.14Å
159	W	96.1	Very high	95.9	Very high	41 Å²	41	72.9 Å²	72.9	16%	0.155	36%	0.36	C	S	.	.	H	α-helix	trans	-64.2	-46.3	175.7	-169.3	99.1	0	0	0	111.3	A141 V143 P144 Y155 R156 Q157 E161 A162 F163	A141-W159 WeakPolarHBondContact O-CZ2 3.33Å; V143-W159 HydrophobicContact CB-CH2 4.3Å; V143-W159 HydrophobicContact CB-CZ3 4.16Å; V143-W159 HydrophobicContact CG1-CE3 4.23Å; V143-W159 HydrophobicContact CG1-CZ3 3.94Å; V143-W159 HydrophobicContact CG2-CH2 3.7Å; V143-W159 HydrophobicContact CG2-CZ3 3.7Å; P144-W159 VanDerWaalsContact CD-CD2 3.43Å; P144-W159 HydrophobicContact CG-CB 3.9Å; P144-W159 HydrophobicContact CG-CD2 3.97Å; P144-W159 HydrophobicContact CG-CE3 4.45Å; P144-W159 HydrophobicContact CG-CG 3.67Å; Y155-W159 WeakPolarHBondContact O-CB 3.48Å; Y155-W159 PolarHBondContact O-N 3Å; R156-W159 WeakPolarHBondContact O-CB 3.33Å; R156-W159 PolarHBondContact O-N 2.59Å; R156-W159 VanDerWaalsContact O-N 3.17Å; Q157-W159 VanDerWaalsContact C-N 3.29Å; Q157-W159 PolarHBondContact O-N 2.68Å; W159-E161 VanDerWaalsContact C-N 3.32Å; W159-E161 PolarHBondContact O-N 3.45Å; W159-A162 PolarHBondContact O-N 3.17Å; W159-F163 HydrophobicContact CD2-CB 4.32Å; W159-F163 HydrophobicContact CE3-CB 3.82Å; W159-F163 HydrophobicContact CE3-CD1 4.35Å; W159-F163 HydrophobicContact CE3-CG 4.28Å; W159-F163 HydrophobicContact CH2-CB 3.75Å; W159-F163 AromaticContact CH2-CD1 3.33Å; W159-F163 HydrophobicContact CH2-CD1 3.33Å; W159-F163 AromaticContact CH2-CD2 3.77Å; W159-F163 HydrophobicContact CH2-CD2 3.77Å; W159-F163 AromaticContact CH2-CE1 3.7Å; W159-F163 HydrophobicContact CH2-CE1 3.7Å; W159-F163 HydrophobicContact CH2-CE2 4.16Å; W159-F163 AromaticContact CH2-CG 3.33Å; W159-F163 HydrophobicContact CH2-CG 3.33Å; W159-F163 HydrophobicContact CH2-CZ 4.11Å; W159-F163 HydrophobicContact CZ2-CB 4.27Å; W159-F163 HydrophobicContact CZ2-CD1 4.45Å; W159-F163 HydrophobicContact CZ2-CD2 4.2Å; W159-F163 HydrophobicContact CZ2-CG 4.08Å; W159-F163 HydrophobicContact CZ3-CB 3.51Å; W159-F163 AromaticContact CZ3-CD1 3.27Å; W159-F163 HydrophobicContact CZ3-CD1 3.27Å; W159-F163 HydrophobicContact CZ3-CD2 4.35Å; W159-F163 AromaticContact CZ3-CE1 3.99Å; W159-F163 HydrophobicContact CZ3-CE1 3.99Å; W159-F163 AromaticContact CZ3-CG 3.47Å; W159-F163 HydrophobicContact CZ3-CG 3.47Å; W159-F163 VanDerWaalsContact CZ3-CG 3.47Å; W159-F163 VanDerWaalsContact O-CB 3.27Å; W159-F163 WeakPolarHBondContact O-CB 3.27Å; W159-F163 PolarHBondContact O-N 2.86Å
160	D	96.3	Very high	95.9	Very high	18 Å²	18	71.9 Å²	71.9	10%	0.096	34%	0.337	C	S	.	.	H	α-helix	trans	-58.4	-43	178.2	-73.4	-18.5	0	0	0	111.6	R156 Q157 F163 R164	R156-D160 WeakPolarHBondContact CD-OD1 3.49Å; R156-D160 IonicContact CZ-OD1 3.5Å; R156-D160 IonicContact CZ-OD2 3.55Å; R156-D160 VanDerWaalsContact NE-CG 3.26Å; R156-D160 IonicContact NE-OD1 2.82Å; R156-D160 PolarHBondContact NE-OD1 3.48Å; R156-D160 IonicContact NE-OD2 3.7Å; R156-D160 PolarHBondContact NE-OD2 3.34Å; R156-D160 IonicContact NH2-OD1 3.9Å; R156-D160 IonicContact NH2-OD2 3.03Å; R156-D160 PolarHBondContact O-N 3.23Å; Q157-D160 PolarHBondContact O-N 3.38Å; D160-F163 PolarHBondContact O-N 3.47Å; D160-R164 VanDerWaalsContact O-CB 3.24Å; D160-R164 WeakPolarHBondContact O-CB 3.17Å; D160-R164 PolarHBondContact O-N 2.9Å
161	E	96.3	Very high	95.9	Very high	85 Å²	85	70.8 Å²	70.8	40%	0.397	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-47.6	177	-171.1	-168.9	161.1	0	0	112	Q157 W159 R164 K165	Q157-E161 PolarHBondContact O-N 2.84Å; Q157-E161 VanDerWaalsContact O-N 3.12Å; W159-E161 VanDerWaalsContact C-N 3.32Å; W159-E161 PolarHBondContact O-N 3.45Å; E161-R164 PolarHBondContact O-N 3.17Å; E161-K165 WeakPolarHBondContact O-CG 3.39Å; E161-K165 PolarHBondContact O-N 2.94Å; E161-K165 VanDerWaalsContact O-N 3.14Å; E161-K165 VanDerWaalsContact OE1-CE 3.28Å; E161-K165 WeakPolarHBondContact OE1-CE 3.46Å; E161-K165 IonicContact OE1-NZ 3.89Å; E161-K165 PolarHBondContact OE1-NZ 2.89Å
162	A	95.6	Very high	95.8	Very high	60 Å²	60	69.4 Å²	69.4	50%	0.496	33%	0.331	S	S	.	.	H	α-helix	trans	-63.4	-43.6	178.9	0	0	0	0	0	111.4	R158 W159 K165 F166	R158-A162 PolarHBondContact O-N 2.67Å; R158-A162 VanDerWaalsContact O-N 3.14Å; W159-A162 PolarHBondContact O-N 3.17Å; A162-K165 PolarHBondContact O-N 3.34Å; A162-F166 WeakPolarHBondContact O-CB 3.45Å; A162-F166 PolarHBondContact O-N 2.94Å
163	F	95.6	Very high	95.8	Very high	16 Å²	16	73 Å²	73	7%	0.07	35%	0.345	C	S	.	.	H	α-helix	trans	-64.5	-44.1	179.7	-173.2	-131.8	0	0	0	111.7	I140 W159 D160 K165 F166 L167 L178 M214	I140-F163 HydrophobicContact CG1-CE2 4.48Å; I140-F163 HydrophobicContact CG2-CD2 4.36Å; I140-F163 HydrophobicContact CG2-CE2 3.44Å; I140-F163 VanDerWaalsContact CG2-CE2 3.44Å; I140-F163 HydrophobicContact CG2-CZ 3.95Å; W159-F163 HydrophobicContact CD2-CB 4.32Å; W159-F163 HydrophobicContact CE3-CB 3.82Å; W159-F163 HydrophobicContact CE3-CD1 4.35Å; W159-F163 HydrophobicContact CE3-CG 4.28Å; W159-F163 HydrophobicContact CH2-CB 3.75Å; W159-F163 AromaticContact CH2-CD1 3.33Å; W159-F163 HydrophobicContact CH2-CD1 3.33Å; W159-F163 AromaticContact CH2-CD2 3.77Å; W159-F163 HydrophobicContact CH2-CD2 3.77Å; W159-F163 AromaticContact CH2-CE1 3.7Å; W159-F163 HydrophobicContact CH2-CE1 3.7Å; W159-F163 HydrophobicContact CH2-CE2 4.16Å; W159-F163 AromaticContact CH2-CG 3.33Å; W159-F163 HydrophobicContact CH2-CG 3.33Å; W159-F163 HydrophobicContact CH2-CZ 4.11Å; W159-F163 HydrophobicContact CZ2-CB 4.27Å; W159-F163 HydrophobicContact CZ2-CD1 4.45Å; W159-F163 HydrophobicContact CZ2-CD2 4.2Å; W159-F163 HydrophobicContact CZ2-CG 4.08Å; W159-F163 HydrophobicContact CZ3-CB 3.51Å; W159-F163 AromaticContact CZ3-CD1 3.27Å; W159-F163 HydrophobicContact CZ3-CD1 3.27Å; W159-F163 HydrophobicContact CZ3-CD2 4.35Å; W159-F163 AromaticContact CZ3-CE1 3.99Å; W159-F163 HydrophobicContact CZ3-CE1 3.99Å; W159-F163 AromaticContact CZ3-CG 3.47Å; W159-F163 HydrophobicContact CZ3-CG 3.47Å; W159-F163 VanDerWaalsContact CZ3-CG 3.47Å; W159-F163 VanDerWaalsContact O-CB 3.27Å; W159-F163 WeakPolarHBondContact O-CB 3.27Å; W159-F163 PolarHBondContact O-N 2.86Å; D160-F163 PolarHBondContact O-N 3.47Å; F163-K165 PolarHBondContact O-N 2.9Å; F163-F166 HydrophobicContact CD2-CD1 4.26Å; F163-F166 HydrophobicContact CE2-CD1 4.32Å; F163-F166 WeakPolarHBondContact O-CB 3.27Å; F163-F166 PolarHBondContact O-N 3.12Å; F163-F166 VanDerWaalsContact O-N 3.16Å; F163-L167 HydrophobicContact CD1-CD1 3.8Å; F163-L167 HydrophobicContact CD1-CG 4.39Å; F163-L167 HydrophobicContact CD2-CD1 4.4Å; F163-L167 HydrophobicContact CD2-CD2 4.42Å; F163-L167 HydrophobicContact CD2-CG 4.11Å; F163-L167 HydrophobicContact CE1-CD1 3.56Å; F163-L167 HydrophobicContact CE1-CD2 4.43Å; F163-L167 HydrophobicContact CE1-CG 4.2Å; F163-L167 HydrophobicContact CE2-CD1 4.13Å; F163-L167 HydrophobicContact CE2-CD2 3.69Å; F163-L167 HydrophobicContact CE2-CG 3.84Å; F163-L167 HydrophobicContact CG-CD1 4.25Å; F163-L167 HydrophobicContact CG-CG 4.38Å; F163-L167 HydrophobicContact CZ-CD1 3.74Å; F163-L167 HydrophobicContact CZ-CD2 3.72Å; F163-L167 HydrophobicContact CZ-CG 3.92Å; F163-L167 WeakPolarHBondContact O-CG 3.39Å; F163-L167 PolarHBondContact O-N 3.03Å; F163-L178 HydrophobicContact CE1-CD1 4.27Å; F163-L178 HydrophobicContact CE1-CD2 3.96Å; F163-L178 HydrophobicContact CZ-CD1 3.77Å; F163-L178 HydrophobicContact CZ-CD2 4.17Å; F163-M214 HydrophobicContact CD1-SD 4.33Å; F163-M214 HydrophobicContact CE1-SD 4.34Å
164	R	95.3	Very high	95.8	Very high	44 Å²	44	78.8 Å²	78.8	17%	0.166	37%	0.369	C	S	.	.	H	α-helix	trans	-58.5	-43.5	174.8	179.9	174.6	59.5	-140.1	8.7	112.6	D160 E161 F166 L167 K168 E213 A217 V218	D160-R164 VanDerWaalsContact O-CB 3.24Å; D160-R164 WeakPolarHBondContact O-CB 3.17Å; D160-R164 PolarHBondContact O-N 2.9Å; E161-R164 PolarHBondContact O-N 3.17Å; R164-F166 VanDerWaalsContact C-N 3.33Å; R164-L167 PolarHBondContact O-N 2.97Å; R164-K168 WeakPolarHBondContact O-CB 3.35Å; R164-K168 PolarHBondContact O-N 3.25Å; R164-E213 IonicContact CZ-OE2 3.82Å; R164-E213 VanDerWaalsContact NH1-CB 3.27Å; R164-E213 IonicContact NH1-OE2 2.68Å; R164-E213 PolarHBondContact NH1-OE2 2.88Å; R164-E213 IonicContact NH2-OE2 3.94Å; R164-E213 PolarHBondContact NH2-OE2 2.83Å; R164-A217 HydrophobicContact CG-CB 4.03Å; R164-V218 HydrophobicContact CG-CG2 4.16Å
165	K	95.1	Very high	95.8	Very high	127 Å²	127	75.4 Å²	75.4	55%	0.552	36%	0.36	S	S	*	.	H	α-helix	trans	-60.7	-44.7	175.4	-72.5	174.4	-173.4	169.1	0	111.2	E161 A162 F163 K168 D169	E161-K165 WeakPolarHBondContact O-CG 3.39Å; E161-K165 PolarHBondContact O-N 2.94Å; E161-K165 VanDerWaalsContact O-N 3.14Å; E161-K165 VanDerWaalsContact OE1-CE 3.28Å; E161-K165 WeakPolarHBondContact OE1-CE 3.46Å; E161-K165 IonicContact OE1-NZ 3.89Å; E161-K165 PolarHBondContact OE1-NZ 2.89Å; A162-K165 PolarHBondContact O-N 3.34Å; F163-K165 PolarHBondContact O-N 2.9Å; K165-K168 PolarHBondContact O-N 3.38Å; K165-D169 PolarHBondContact O-N 3.32Å
166	F	95.1	Very high	95.9	Very high	87 Å²	87	71.8 Å²	71.8	38%	0.382	35%	0.348	S	S	.	.	H	α-helix	trans	-62.7	-46.4	177.8	171.4	-92.5	0	0	0	112.5	I140 A162 F163 R164 K168 D169 L170	I140-F166 HydrophobicContact CD1-CD1 4.33Å; I140-F166 HydrophobicContact CD1-CE1 3.23Å; I140-F166 HydrophobicContact CD1-CZ 3.61Å; I140-F166 HydrophobicContact CG1-CD1 4.14Å; I140-F166 HydrophobicContact CG1-CE1 3.32Å; I140-F166 HydrophobicContact CG1-CZ 3.64Å; A162-F166 WeakPolarHBondContact O-CB 3.45Å; A162-F166 PolarHBondContact O-N 2.94Å; F163-F166 HydrophobicContact CD2-CD1 4.26Å; F163-F166 HydrophobicContact CE2-CD1 4.32Å; F163-F166 WeakPolarHBondContact O-CB 3.27Å; F163-F166 PolarHBondContact O-N 3.12Å; F163-F166 VanDerWaalsContact O-N 3.16Å; R164-F166 VanDerWaalsContact C-N 3.33Å; F166-K168 VanDerWaalsContact C-N 3.33Å; F166-K168 PolarHBondContact O-N 2.82Å; F166-D169 PolarHBondContact O-N 3.38Å; F166-L170 HydrophobicContact CD1-CD1 4.02Å; F166-L170 HydrophobicContact CE1-CD1 3.21Å; F166-L170 HydrophobicContact CE1-CG 4.06Å; F166-L170 HydrophobicContact CE2-CD1 4.46Å; F166-L170 HydrophobicContact CZ-CD1 3.5Å; F166-L170 VanDerWaalsContact CZ-CD1 3.5Å; F166-L170 HydrophobicContact CZ-CD2 4.44Å; F166-L170 HydrophobicContact CZ-CG 4.05Å; F166-L170 PolarHBondContact O-N 3.39Å; F166-L170 VanDerWaalsContact O-N 3.15Å
167	L	95.1	Very high	95.9	Very high	3 Å²	3	73.8 Å²	73.8	2%	0.016	36%	0.36	C	S	.	.	H	α-helix	trans	-64.8	-37	178	-66	173.6	0	0	0	112.4	F163 R164 D169 L170 A171 L176 L178 M214 V218	F163-L167 HydrophobicContact CD1-CD1 3.8Å; F163-L167 HydrophobicContact CD1-CG 4.39Å; F163-L167 HydrophobicContact CD2-CD1 4.4Å; F163-L167 HydrophobicContact CD2-CD2 4.42Å; F163-L167 HydrophobicContact CD2-CG 4.11Å; F163-L167 HydrophobicContact CE1-CD1 3.56Å; F163-L167 HydrophobicContact CE1-CD2 4.43Å; F163-L167 HydrophobicContact CE1-CG 4.2Å; F163-L167 HydrophobicContact CE2-CD1 4.13Å; F163-L167 HydrophobicContact CE2-CD2 3.69Å; F163-L167 HydrophobicContact CE2-CG 3.84Å; F163-L167 HydrophobicContact CG-CD1 4.25Å; F163-L167 HydrophobicContact CG-CG 4.38Å; F163-L167 HydrophobicContact CZ-CD1 3.74Å; F163-L167 HydrophobicContact CZ-CD2 3.72Å; F163-L167 HydrophobicContact CZ-CG 3.92Å; F163-L167 WeakPolarHBondContact O-CG 3.39Å; F163-L167 PolarHBondContact O-N 3.03Å; R164-L167 PolarHBondContact O-N 2.97Å; L167-D169 VanDerWaalsContact C-N 3.28Å; L167-D169 PolarHBondContact O-N 2.66Å; L167-L170 PolarHBondContact O-N 3.1Å; L167-A171 WeakPolarHBondContact O-CB 3.26Å; L167-A171 PolarHBondContact O-N 2.82Å; L167-L176 HydrophobicContact CB-CD2 4.23Å; L167-L176 HydrophobicContact CD2-CD2 3.93Å; L167-L178 HydrophobicContact CD1-CD2 3.72Å; L167-L178 HydrophobicContact CD2-CD2 4.48Å; L167-M214 HydrophobicContact CD1-CG 4.21Å; L167-M214 HydrophobicContact CD1-SD 3.8Å; L167-V218 HydrophobicContact CB-CG1 4Å; L167-V218 HydrophobicContact CB-CG2 3.92Å
168	K	94.9	Very high	95.9	Very high	126 Å²	126	70.6 Å²	70.6	55%	0.548	35%	0.346	S	S	.	.	H	α-helix	trans	-60.4	-39.8	176.6	-170.1	176.7	-178.1	178.7	0	111.8	R164 K165 F166 S172 V218	R164-K168 WeakPolarHBondContact O-CB 3.35Å; R164-K168 PolarHBondContact O-N 3.25Å; K165-K168 PolarHBondContact O-N 3.38Å; F166-K168 VanDerWaalsContact C-N 3.33Å; F166-K168 PolarHBondContact O-N 2.82Å; K168-S172 PolarHBondContact O-N 3.43Å; K168-V218 HydrophobicContact CB-CG2 4.34Å
169	D	94.3	Very high	96	Very high	86 Å²	86	64.3 Å²	64.3	46%	0.46	33%	0.326	S	S	.	.	H	α-helix	trans	-70.3	-33	175.5	178.7	72	0	0	0	113.1	K165 F166 L167 S172 R173	K165-D169 PolarHBondContact O-N 3.32Å; F166-D169 PolarHBondContact O-N 3.38Å; L167-D169 VanDerWaalsContact C-N 3.28Å; L167-D169 PolarHBondContact O-N 2.66Å; D169-S172 PolarHBondContact O-OG 3.39Å; D169-R173 PolarHBondContact O-NE 3.26Å; D169-R173 IonicContact OD2-CZ 3.45Å; D169-R173 IonicContact OD2-NE 3.74Å; D169-R173 IonicContact OD2-NH2 2.66Å; D169-R173 PolarHBondContact OD2-NH2 2.83Å
170	L	94.3	Very high	96.1	Very high	48 Å²	48	62.5 Å²	62.5	25%	0.251	32%	0.32	S	S	.	.	H	α-helix	trans	-68.8	-47.1	172	-73.3	175.9	0	0	0	111.9	F166 L167 S172 R173 K174	F166-L170 HydrophobicContact CD1-CD1 4.02Å; F166-L170 HydrophobicContact CE1-CD1 3.21Å; F166-L170 HydrophobicContact CE1-CG 4.06Å; F166-L170 HydrophobicContact CE2-CD1 4.46Å; F166-L170 HydrophobicContact CZ-CD1 3.5Å; F166-L170 VanDerWaalsContact CZ-CD1 3.5Å; F166-L170 HydrophobicContact CZ-CD2 4.44Å; F166-L170 HydrophobicContact CZ-CG 4.05Å; F166-L170 PolarHBondContact O-N 3.39Å; F166-L170 VanDerWaalsContact O-N 3.15Å; L167-L170 PolarHBondContact O-N 3.1Å; L170-S172 PolarHBondContact O-N 3.39Å; L170-R173 PolarHBondContact O-N 3.11Å; L170-K174 PolarHBondContact O-N 2.97Å
171	A	94.3	Very high	96.2	Very high	27 Å²	27	61.7 Å²	61.7	22%	0.223	32%	0.316	C	S	.	.	H	α-helix	trans	-66	-22.2	-176.8	0	0	0	0	0	113.2	L167 R173 L176 V218	L167-A171 WeakPolarHBondContact O-CB 3.26Å; L167-A171 PolarHBondContact O-N 2.82Å; A171-R173 PolarHBondContact O-N 3.43Å; A171-L176 HydrophobicContact CB-CB 4.41Å; A171-L176 HydrophobicContact CB-CD2 4.41Å; A171-V218 HydrophobicContact CB-CG1 3.78Å
172	S	95	Very high	96.3	Very high	91 Å²	91	58 Å²	58	64%	0.636	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.2	173.7	73.1	0	0	0	0	113.3	K168 D169 L170	K168-S172 PolarHBondContact O-N 3.43Å; D169-S172 PolarHBondContact O-OG 3.39Å; L170-S172 PolarHBondContact O-N 3.39Å
173	R	96.3	Very high	96.4	Very high	155 Å²	155	55.4 Å²	55.4	59%	0.585	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-40.9	-174.8	-65.4	178.8	-83	167.3	-10.5	113.5	D169 L170 A171	D169-R173 PolarHBondContact O-NE 3.26Å; D169-R173 IonicContact OD2-CZ 3.45Å; D169-R173 IonicContact OD2-NE 3.74Å; D169-R173 IonicContact OD2-NH2 2.66Å; D169-R173 PolarHBondContact OD2-NH2 2.83Å; L170-R173 PolarHBondContact O-N 3.11Å; A171-R173 PolarHBondContact O-N 3.43Å
174	K	96.2	Very high	96.6	Very high	141 Å²	141	54.6 Å²	54.6	61%	0.613	27%	0.273	S	S	*	.	S	Bend	trans	-148	153.5	176.9	-73.5	-168.1	175.9	-173.9	0	110.2	L170 L176	L170-K174 PolarHBondContact O-N 2.97Å; K174-L176 PolarHBondContact O-N 2.99Å
175	P	98	Very high	96.8	Very high	76 Å²	76	52.5 Å²	52.5	49%	0.494	27%	0.265	S	S	.	.			trans	-53.7	138.1	169.6	-24.1	34.1	0	0	0	111.5	L262	P175-L262 HydrophobicContact CB-CD1 3.94Å; P175-L262 HydrophobicContact CB-CD2 3.88Å; P175-L262 HydrophobicContact CB-CG 3.77Å
176	L	97.8	Very high	96.9	Very high	25 Å²	25	48.1 Å²	48.1	13%	0.131	25%	0.246	C	C	.	.			trans	-109.4	135.1	-170.9	-179.6	64.3	0	0	0	110.9	L167 A171 K174 V218 L220 S259	L167-L176 HydrophobicContact CB-CD2 4.23Å; L167-L176 HydrophobicContact CD2-CD2 3.93Å; A171-L176 HydrophobicContact CB-CB 4.41Å; A171-L176 HydrophobicContact CB-CD2 4.41Å; K174-L176 PolarHBondContact O-N 2.99Å; L176-V218 HydrophobicContact CD2-CG1 4.17Å; L176-L220 HydrophobicContact CB-CD2 4.4Å; L176-L220 HydrophobicContact CD2-CD1 4.35Å; L176-L220 HydrophobicContact CD2-CD2 4.17Å; L176-L220 HydrophobicContact CG-CD2 4.48Å; L176-S259 WeakPolarHBondContact CB-OG 3.47Å; L176-S259 PolarHBondContact N-OG 3.34Å; L176-S259 PolarHBondContact O-N 2.93Å
177	V	98.5	Very high	97.1	Very high	46 Å²	46	47.9 Å²	47.9	28%	0.279	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	115.9	159.8	-179.9	0	0	0	0	106.8	I58 F256 L258 L262 L285 L287	I58-V177 HydrophobicContact CD1-CG1 4.25Å; V177-F256 HydrophobicContact CG1-CD1 4Å; V177-L258 HydrophobicContact CB-CD2 4.2Å; V177-L258 HydrophobicContact CG1-CD2 3.83Å; V177-L258 HydrophobicContact CG2-CD2 3.79Å; V177-L262 HydrophobicContact CG2-CD1 3.63Å; V177-L285 HydrophobicContact CG1-CD2 4.01Å; V177-L287 HydrophobicContact CG2-CD1 4.16Å
178	L	98.2	Very high	97.3	Very high	18 Å²	18	51.7 Å²	51.7	9%	0.094	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	131.2	171.3	167.6	62.9	0	0	0	108.3	F163 L167 M214 L220 F256 L257	F163-L178 HydrophobicContact CE1-CD1 4.27Å; F163-L178 HydrophobicContact CE1-CD2 3.96Å; F163-L178 HydrophobicContact CZ-CD1 3.77Å; F163-L178 HydrophobicContact CZ-CD2 4.17Å; L167-L178 HydrophobicContact CD1-CD2 3.72Å; L167-L178 HydrophobicContact CD2-CD2 4.48Å; L178-M214 HydrophobicContact CD2-CE 4.46Å; L178-M214 HydrophobicContact CD2-SD 4.06Å; L178-L220 HydrophobicContact CD2-CD1 4.38Å; L178-F256 CarbonylContact O-C 3.53Å; L178-F256 WeakPolarHBondContact O-CA 3.47Å; L178-L257 HydrophobicContact CB-CB 4.24Å; L178-L257 HydrophobicContact CD2-CD1 4.05Å; L178-L257 PolarHBondContact N-O 3.14Å; L178-L257 PolarHBondContact O-N 3.1Å
179	C	98.6	Very high	97.5	Very high	31 Å²	31	48.1 Å²	48.1	21%	0.209	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	162.3	178	70.6	0	0	0	0	113.6	Y255 F256	C179-Y255 WeakPolarHBondContact CA-O 3.38Å; C179-Y255 WeakPolarHBondContact CB-O 3.35Å; C179-F256 HydrophobicContact CB-CD1 3.3Å; C179-F256 HydrophobicContact CB-CE1 3.32Å; C179-F256 HydrophobicContact CB-CG 4.1Å; C179-F256 HydrophobicContact CB-CZ 4.14Å
180	G	98.1	Very high	97.7	Very high	2 Å²	2	44.1 Å²	44.1	2%	0.021	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	124.8	-176.4	178	0	0	0	0	0	112.9	S60 L182 D254 Y255	S60-G180 VanDerWaalsContact OG-CA 3.31Å; S60-G180 WeakPolarHBondContact OG-CA 3.43Å; S60-G180 PolarHBondContact OG-N 3.49Å; G180-L182 PolarHBondContact O-N 2.82Å; G180-D254 WeakPolarHBondContact O-CA 3.29Å; G180-Y255 PolarHBondContact N-O 3.05Å; G180-Y255 PolarHBondContact O-N 3.47Å
181	D	98.3	Very high	97.9	Very high	2 Å²	2	42 Å²	42	1%	0.011	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	115	171	-178.3	-6.5	0	0	0	110.3	N62 Y142 N183 L253 D254 H280	N62-D181 HydrophobicContact CB-CB 4.14Å; N62-D181 PolarHBondContact ND2-OD2 3.22Å; Y142-D181 HydrophobicContact CD2-CB 4.06Å; Y142-D181 WeakPolarHBondContact CD2-O 3.45Å; Y142-D181 HydrophobicContact CE2-CB 3.42Å; Y142-D181 VanDerWaalsContact CE2-CB 3.42Å; Y142-D181 VanDerWaalsContact CE2-O 3.26Å; Y142-D181 WeakPolarHBondContact CE2-O 3.48Å; Y142-D181 WeakPolarHBondContact CE2-OD2 3.28Å; Y142-D181 PolarHBondContact OH-OD2 2.85Å; D181-N183 WeakPolarHBondContact OD1-CA 3.44Å; D181-N183 PolarHBondContact OD1-N 2.85Å; D181-L253 WeakPolarHBondContact CA-O 3.46Å; D181-D254 WeakPolarHBondContact CB-OD1 3.44Å; D181-H280 IonicContact OD2-CE1 3.17Å; D181-H280 PolarHBondContact OD2-CE1 3.02Å; D181-H280 IonicContact OD2-ND1 3.46Å; D181-H280 IonicContact OD2-NE2 2.74Å
182	L	98.2	Very high	98.1	Very high	7 Å²	7	45 Å²	45	4%	0.037	22%	0.224	C	C	.	.			trans	-99.4	5.4	-179.5	-56.1	-174.4	0	0	0	112.7	V143 R156 G180 V184 F211 M214 L253 Y255 L257	V143-L182 WeakPolarHBondContact CG1-O 3.39Å; V143-L182 HydrophobicContact CG2-CB 4.28Å; V143-L182 HydrophobicContact CG2-CD2 3.63Å; R156-L182 PolarHBondContact NH2-O 2.84Å; G180-L182 PolarHBondContact O-N 2.82Å; L182-V184 HydrophobicContact CB-CG1 4.43Å; L182-V184 WeakPolarHBondContact O-CG1 3.38Å; L182-V184 PolarHBondContact O-N 3.45Å; L182-V184 VanDerWaalsContact O-N 3.1Å; L182-F211 HydrophobicContact CB-CE2 4.41Å; L182-F211 HydrophobicContact CD1-CD2 4.45Å; L182-F211 HydrophobicContact CD1-CE2 3.68Å; L182-M214 HydrophobicContact CD1-CE 4.36Å; L182-L253 PolarHBondContact N-O 2.81Å; L182-Y255 HydrophobicContact CB-CD2 3.88Å; L182-Y255 HydrophobicContact CB-CE2 4.3Å; L182-Y255 HydrophobicContact CD1-CD2 3.82Å; L182-Y255 HydrophobicContact CD1-CG 3.95Å; L182-Y255 HydrophobicContact CG-CD2 3.89Å; L182-Y255 HydrophobicContact CG-CG 4.43Å; L182-L257 HydrophobicContact CD1-CD1 3.6Å; L182-L257 HydrophobicContact CD1-CG 4.13Å
183	N	98.4	Very high	98.2	Very high	5 Å²	5	44.4 Å²	44.4	3%	0.027	21%	0.213	C	C	.	.	S	Bend	trans	51.5	36.2	174.1	-95.1	-63.1	0	0	0	113.6	Y142 V143 N145 R156 D181 G202	Y142-N183 WeakPolarHBondContact CE2-ND2 3.37Å; Y142-N183 PolarHBondContact OH-ND2 3.29Å; V143-N183 HydrophobicContact CB-CB 4.48Å; V143-N183 HydrophobicContact CG1-CB 4.29Å; V143-N183 PolarHBondContact O-ND2 3.39Å; N145-N183 PolarHBondContact ND2-OD1 2.84Å; R156-N183 PolarHBondContact NH1-O 2.76Å; D181-N183 WeakPolarHBondContact OD1-CA 3.44Å; D181-N183 PolarHBondContact OD1-N 2.85Å; N183-G202 WeakPolarHBondContact O-CA 3.48Å
184	V	98.7	Very high	98.3	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.192	C	C	.	.			trans	-154.4	132.6	176.4	61.3	0	0	0	0	109.7	L182 G202 E207 R208 F211 Y255	L182-V184 HydrophobicContact CB-CG1 4.43Å; L182-V184 WeakPolarHBondContact O-CG1 3.38Å; L182-V184 PolarHBondContact O-N 3.45Å; L182-V184 VanDerWaalsContact O-N 3.1Å; V184-G202 CarbonylContact C-O 3.57Å; V184-G202 WeakPolarHBondContact CA-O 3.43Å; V184-E207 HydrophobicContact CB-CB 4.31Å; V184-E207 HydrophobicContact CG2-CB 3.81Å; V184-R208 HydrophobicContact CG2-CG 4.17Å; V184-F211 HydrophobicContact CG1-CB 3.99Å; V184-F211 HydrophobicContact CG1-CD2 3.35Å; V184-F211 HydrophobicContact CG1-CE2 4.05Å; V184-F211 HydrophobicContact CG1-CG 3.95Å; V184-Y255 VanDerWaalsContact O-CE2 3.23Å; V184-Y255 WeakPolarHBondContact O-CE2 3.5Å; V184-Y255 PolarHBondContact O-OH 2.74Å
185	A	98.8	Very high	98.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.202	C	C	.	.			trans	-90	114.9	162.6	0	0	0	0	0	107.5	D190 L191 G202 F203 R208 W251 L253	A185-D190 HydrophobicContact CB-CB 3.78Å; A185-L191 HydrophobicContact CB-CB 4.22Å; A185-L191 HydrophobicContact CB-CD2 4.38Å; A185-G202 PolarHBondContact N-O 2.86Å; A185-F203 HydrophobicContact CB-CD2 3.93Å; A185-F203 HydrophobicContact CB-CE2 4.4Å; A185-F203 WeakPolarHBondContact O-CD2 3.49Å; A185-F203 WeakPolarHBondContact O-CE2 3.31Å; A185-R208 WeakPolarHBondContact O-CG 3Å; A185-W251 HydrophobicContact CB-CE3 4.09Å; A185-L253 HydrophobicContact CB-CD2 4.36Å
186	H	98.8	Very high	98.2	Very high	34 Å²	34	39.6 Å²	39.6	16%	0.157	21%	0.209	C	C	.	.			trans	-65.3	-48.8	-169.1	-177.4	-153.8	0	0	0	112.9	D190 R208 F211 Y255	H186-D190 PolarHBondContact N-OD2 2.84Å; H186-R208 WeakPolarHBondContact O-CG 3.48Å; H186-R208 PolarHBondContact O-NE 3.37Å; H186-F211 HydrophobicContact CB-CD1 3.73Å; H186-F211 HydrophobicContact CB-CE1 3.75Å; H186-F211 HydrophobicContact CB-CG 4.43Å; H186-F211 HydrophobicContact CB-CZ 4.48Å; H186-F211 AromaticContact CD2-CD1 3.48Å; H186-F211 VanDerWaalsContact CD2-CD1 3.48Å; H186-F211 WeakPolarHBondContact CD2-CD1 3.39Å; H186-F211 AromaticContact CE1-CD1 3.94Å; H186-F211 AromaticContact CG-CD1 3.36Å; H186-F211 AromaticContact CG-CE1 3.62Å; H186-F211 AromaticContact ND1-CD1 3.66Å; H186-F211 AromaticContact ND1-CE1 3.64Å; H186-F211 AromaticContact NE2-CD1 3.83Å; H186-Y255 PolarHBondContact N-OH 3.41Å
187	E	98.8	Very high	98.2	Very high	82 Å²	82	39.5 Å²	39.5	38%	0.383	21%	0.208	S	C	.	.	S	Bend	trans	-124.8	168.4	-176.5	-65	-60.8	173.9	0	0	113.3	I189 D190 R208	E187-I189 HydrophobicContact CB-CG2 4Å; E187-I189 PolarHBondContact O-N 3.38Å; E187-I189 VanDerWaalsContact O-N 3.09Å; E187-D190 PolarHBondContact N-OD2 2.84Å; E187-D190 WeakPolarHBondContact O-CB 3.26Å; E187-D190 PolarHBondContact O-N 2.9Å; E187-R208 IonicContact OE2-CZ 2.94Å; E187-R208 IonicContact OE2-NH2 2.7Å; E187-R208 PolarHBondContact OE2-NH2 3.02Å
188	E	98.8	Very high	98.2	Very high	83 Å²	83	41.4 Å²	41.4	39%	0.388	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-59.3	-23.9	-179.5	-66.9	-162.3	175.6	0	0	113.2	D190 P194 K198 F203	E188-D190 VanDerWaalsContact C-N 3.27Å; E188-D190 PolarHBondContact O-N 2.84Å; E188-P194 HydrophobicContact CB-CB 3.78Å; E188-P194 HydrophobicContact CB-CG 4.03Å; E188-P194 HydrophobicContact CG-CB 3.71Å; E188-P194 HydrophobicContact CG-CG 4.34Å; E188-K198 VanDerWaalsContact OE1-CE 3.26Å; E188-K198 WeakPolarHBondContact OE1-CE 3.38Å; E188-K198 IonicContact OE1-NZ 3.25Å; E188-K198 PolarHBondContact OE1-NZ 2.89Å; E188-F203 HydrophobicContact CB-CZ 4.44Å; E188-F203 HydrophobicContact CG-CE1 4.42Å; E188-F203 HydrophobicContact CG-CZ 3.9Å
189	I	98.7	Very high	98	Very high	52 Å²	52	49 Å²	49	27%	0.267	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-72.2	-18	174.6	-169.2	167	0	0	0	113.2	E187 L191 A232	E187-I189 HydrophobicContact CB-CG2 4Å; E187-I189 PolarHBondContact O-N 3.38Å; E187-I189 VanDerWaalsContact O-N 3.09Å; I189-L191 VanDerWaalsContact C-N 3.33Å; I189-L191 PolarHBondContact O-N 2.89Å; I189-A232 HydrophobicContact CD1-CB 4.29Å; I189-A232 HydrophobicContact CG1-CB 4.04Å
190	D	98.8	Very high	98	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-87.2	2.7	-175.2	-65.6	-49.7	0	0	0	113.5	A185 H186 E187 E188 R225 W251 R252	A185-D190 HydrophobicContact CB-CB 3.78Å; H186-D190 PolarHBondContact N-OD2 2.84Å; E187-D190 PolarHBondContact N-OD2 2.84Å; E187-D190 WeakPolarHBondContact O-CB 3.26Å; E187-D190 PolarHBondContact O-N 2.9Å; E188-D190 VanDerWaalsContact C-N 3.27Å; E188-D190 PolarHBondContact O-N 2.84Å; D190-R225 IonicContact OD1-CZ 3.38Å; D190-R225 IonicContact OD1-NE 3.35Å; D190-R225 IonicContact OD1-NH2 3.94Å; D190-R225 PolarHBondContact OD1-NH2 3.01Å; D190-W251 CarbonylContact O-C 3.54Å; D190-W251 WeakPolarHBondContact O-CA 3.45Å; D190-R252 HydrophobicContact CB-CB 4.22Å; D190-R252 PolarHBondContact O-N 2.74Å; D190-R252 IonicContact OD1-CZ 2.68Å; D190-R252 VanDerWaalsContact OD1-CZ 3.24Å; D190-R252 IonicContact OD1-NE 3.04Å; D190-R252 PolarHBondContact OD1-NE 3.47Å; D190-R252 IonicContact OD1-NH2 2.94Å; D190-R252 PolarHBondContact OD1-NH2 3.36Å; D190-R252 IonicContact OD2-NH2 3.85Å
191	L	98.8	Very high	97.9	Very high	3 Å²	3	52.2 Å²	52.2	2%	0.016	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-151.2	153.4	174.3	74.9	177.4	0	0	0	112.3	A185 I189 N193 P194 N197 F203 G250 W251	A185-L191 HydrophobicContact CB-CB 4.22Å; A185-L191 HydrophobicContact CB-CD2 4.38Å; I189-L191 VanDerWaalsContact C-N 3.33Å; I189-L191 PolarHBondContact O-N 2.89Å; L191-N193 PolarHBondContact O-N 2.59Å; L191-P194 HydrophobicContact CD2-CB 3.8Å; L191-P194 HydrophobicContact CG-CB 4.36Å; L191-N197 HydrophobicContact CD1-CB 3.93Å; L191-F203 HydrophobicContact CD1-CB 3.89Å; L191-F203 HydrophobicContact CD1-CD1 3.79Å; L191-F203 HydrophobicContact CD1-CD2 3.75Å; L191-F203 HydrophobicContact CD1-CE1 4.28Å; L191-F203 HydrophobicContact CD1-CE2 4.25Å; L191-F203 HydrophobicContact CD1-CG 3.53Å; L191-F203 HydrophobicContact CD2-CD1 4.27Å; L191-F203 HydrophobicContact CD2-CD2 3.73Å; L191-F203 HydrophobicContact CD2-CE1 3.95Å; L191-F203 HydrophobicContact CD2-CE2 3.38Å; L191-F203 HydrophobicContact CD2-CG 4.19Å; L191-F203 HydrophobicContact CD2-CZ 3.52Å; L191-F203 HydrophobicContact CG-CD2 4.4Å; L191-F203 HydrophobicContact CG-CE2 4.47Å; L191-G250 WeakPolarHBondContact CA-O 3.31Å; L191-W251 HydrophobicContact CB-CB 4.34Å; L191-W251 HydrophobicContact CB-CD2 3.92Å; L191-W251 HydrophobicContact CB-CE3 4.04Å; L191-W251 HydrophobicContact CB-CG 4.09Å; L191-W251 HydrophobicContact CD1-CD2 3.99Å; L191-W251 HydrophobicContact CD1-CE3 3.58Å; L191-W251 HydrophobicContact CD1-CH2 3.87Å; L191-W251 HydrophobicContact CD1-CZ2 4.2Å; L191-W251 HydrophobicContact CD1-CZ3 3.55Å; L191-W251 HydrophobicContact CG-CE3 4.47Å
192	R	98.2	Very high	97.9	Very high	92 Å²	92	52.2 Å²	52.2	35%	0.347	26%	0.264	S	S	.	.	S	Bend	trans	-67.1	-34.9	-175.4	-176.9	64.2	-170.5	92.7	-9.1	114	P194 Y235 V249 G250	R192-P194 VanDerWaalsContact C-CD 3.46Å; R192-P194 WeakPolarHBondContact O-CD 3.14Å; R192-Y235 VanDerWaalsContact CA-OH 3.23Å; R192-Y235 WeakPolarHBondContact CA-OH 3.22Å; R192-Y235 HydrophobicContact CB-CE2 4.02Å; R192-Y235 PolarHBondContact N-OH 3.27Å; R192-V249 HydrophobicContact CB-CG1 4.11Å; R192-V249 HydrophobicContact CG-CB 4.31Å; R192-V249 HydrophobicContact CG-CG1 4.05Å; R192-V249 HydrophobicContact CG-CG2 4.26Å; R192-G250 PolarHBondContact N-O 3.12Å
193	N	97.5	Very high	97.9	Very high	78 Å²	78	51.9 Å²	51.9	42%	0.417	26%	0.262	S	S	.	.			trans	-126.2	63.3	-168.8	-68.6	-32.8	0	0	0	111.9	L191 K195 G196 N197 V249	L191-N193 PolarHBondContact O-N 2.59Å; N193-K195 PolarHBondContact O-N 2.93Å; N193-G196 PolarHBondContact O-N 3.33Å; N193-N197 PolarHBondContact O-N 3.44Å; N193-N197 PolarHBondContact O-ND2 3.09Å; N193-V249 WeakPolarHBondContact ND2-CG1 3.34Å
194	P	97.9	Very high	97.9	Very high	22 Å²	22	51.8 Å²	51.8	14%	0.143	26%	0.261	C	S	.	.	H	α-helix	trans	-59.6	-45.9	-175.3	20.9	-32.1	0	0	0	112.6	E188 L191 R192 G196 N197 K198 F203	E188-P194 HydrophobicContact CB-CB 3.78Å; E188-P194 HydrophobicContact CB-CG 4.03Å; E188-P194 HydrophobicContact CG-CB 3.71Å; E188-P194 HydrophobicContact CG-CG 4.34Å; L191-P194 HydrophobicContact CD2-CB 3.8Å; L191-P194 HydrophobicContact CG-CB 4.36Å; R192-P194 VanDerWaalsContact C-CD 3.46Å; R192-P194 WeakPolarHBondContact O-CD 3.14Å; P194-G196 VanDerWaalsContact C-N 3.31Å; P194-G196 PolarHBondContact O-N 2.88Å; P194-N197 PolarHBondContact O-N 3.01Å; P194-N197 VanDerWaalsContact O-N 3.11Å; P194-K198 WeakPolarHBondContact O-CG 3.37Å; P194-K198 PolarHBondContact O-N 2.88Å; P194-F203 HydrophobicContact CB-CE1 3.68Å; P194-F203 HydrophobicContact CB-CZ 4Å
195	K	97	Very high	97.9	Very high	186 Å²	186	55.3 Å²	55.3	81%	0.809	28%	0.284	S	S	*	.	H	α-helix	trans	-56.4	-42	-176.5	-66.9	-177.8	-179.2	177.1	0	113.1	N193	N193-K195 PolarHBondContact O-N 2.93Å
196	G	96.5	Very high	97.9	Very high	62 Å²	62	59 Å²	59	64%	0.639	30%	0.301	S	S	*	.	H	α-helix	trans	-80.9	-13.6	-178	0	0	0	0	0	114.5	N193 P194	N193-G196 PolarHBondContact O-N 3.33Å; P194-G196 VanDerWaalsContact C-N 3.31Å; P194-G196 PolarHBondContact O-N 2.88Å
197	N	97.8	Very high	97.9	Very high	23 Å²	23	57.3 Å²	57.3	12%	0.123	29%	0.294	C	S	.	.	H	α-helix	trans	-111.1	0.8	-170.5	-76.5	-63.9	0	0	0	114.7	L191 N193 P194 K199 N200 F203 W251	L191-N197 HydrophobicContact CD1-CB 3.93Å; N193-N197 PolarHBondContact O-N 3.44Å; N193-N197 PolarHBondContact O-ND2 3.09Å; P194-N197 PolarHBondContact O-N 3.01Å; P194-N197 VanDerWaalsContact O-N 3.11Å; N197-K199 PolarHBondContact O-N 2.6Å; N197-N200 HydrophobicContact CB-CB 4.41Å; N197-N200 PolarHBondContact O-N 2.9Å; N197-N200 PolarHBondContact OD1-ND2 3.34Å; N197-F203 HydrophobicContact CB-CB 4.29Å; N197-F203 HydrophobicContact CB-CD1 4.37Å; N197-W251 HydrophobicContact CB-CH2 3.5Å; N197-W251 VanDerWaalsContact CB-CH2 3.5Å; N197-W251 HydrophobicContact CB-CZ2 3.9Å; N197-W251 HydrophobicContact CB-CZ3 4.37Å; N197-W251 VanDerWaalsContact CG-CH2 3.41Å; N197-W251 WeakPolarHBondContact OD1-CH2 3.25Å; N197-W251 VanDerWaalsContact OD1-CZ2 3.26Å; N197-W251 WeakPolarHBondContact OD1-CZ2 3.41Å
198	K	96.9	Very high	97.8	Very high	87 Å²	87	56 Å²	56	38%	0.378	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-14.2	179.3	-63.2	-170.7	175.9	-174.1	0	115	E188 P194 F203 P205	E188-K198 VanDerWaalsContact OE1-CE 3.26Å; E188-K198 WeakPolarHBondContact OE1-CE 3.38Å; E188-K198 IonicContact OE1-NZ 3.25Å; E188-K198 PolarHBondContact OE1-NZ 2.89Å; P194-K198 WeakPolarHBondContact O-CG 3.37Å; P194-K198 PolarHBondContact O-N 2.88Å; K198-F203 HydrophobicContact CG-CD1 4.13Å; K198-F203 HydrophobicContact CG-CE1 4.07Å; K198-P205 WeakPolarHBondContact O-CD 3.5Å
199	K	95.8	Very high	97.8	Very high	177 Å²	177	57.6 Å²	57.6	77%	0.77	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.1	11.9	177.3	-61.1	-174.9	179.6	-176.9	0	113	N197	N197-K199 PolarHBondContact O-N 2.6Å
200	N	97	Very high	97.8	Very high	77 Å²	77	55.5 Å²	55.5	41%	0.412	28%	0.284	S	S	.	.	S	Bend	trans	-107	150	178.9	-68.3	-0.9	0	0	0	109.7	N197 G202 F203 T204	N197-N200 HydrophobicContact CB-CB 4.41Å; N197-N200 PolarHBondContact O-N 2.9Å; N197-N200 PolarHBondContact OD1-ND2 3.34Å; N200-G202 PolarHBondContact O-N 2.8Å; N200-F203 PolarHBondContact O-N 2.66Å; N200-F203 VanDerWaalsContact O-N 3.12Å; N200-T204 WeakPolarHBondContact O-CG2 3.41Å; N200-T204 PolarHBondContact O-N 3.14Å
201	A	96.9	Very high	97.8	Very high	23 Å²	23	55.7 Å²	55.7	19%	0.19	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	137.7	174.1	0	0	0	0	0	110.4	A146 L150	A146-A201 HydrophobicContact CB-CB 3.88Å; L150-A201 HydrophobicContact CD2-CB 4.23Å
202	G	97.3	Very high	97.8	Very high	3 Å²	3	56.7 Å²	56.7	3%	0.031	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-7	-175.7	0	0	0	0	0	115.3	N183 V184 A185 N200 E207	N183-G202 WeakPolarHBondContact O-CA 3.48Å; V184-G202 CarbonylContact C-O 3.57Å; V184-G202 WeakPolarHBondContact CA-O 3.43Å; A185-G202 PolarHBondContact N-O 2.86Å; N200-G202 PolarHBondContact O-N 2.8Å; G202-E207 VanDerWaalsContact N-CD 3.29Å; G202-E207 PolarHBondContact N-OE1 2.88Å; G202-E207 PolarHBondContact N-OE2 3.36Å
203	F	98.6	Very high	97.7	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.294	C	S	.	.	S	Bend	trans	-143.6	20.7	173.8	-156.5	-117.7	0	0	0	114	A185 E188 L191 P194 N197 K198 N200 R208 W251	A185-F203 HydrophobicContact CB-CD2 3.93Å; A185-F203 HydrophobicContact CB-CE2 4.4Å; A185-F203 WeakPolarHBondContact O-CD2 3.49Å; A185-F203 WeakPolarHBondContact O-CE2 3.31Å; E188-F203 HydrophobicContact CB-CZ 4.44Å; E188-F203 HydrophobicContact CG-CE1 4.42Å; E188-F203 HydrophobicContact CG-CZ 3.9Å; L191-F203 HydrophobicContact CD1-CB 3.89Å; L191-F203 HydrophobicContact CD1-CD1 3.79Å; L191-F203 HydrophobicContact CD1-CD2 3.75Å; L191-F203 HydrophobicContact CD1-CE1 4.28Å; L191-F203 HydrophobicContact CD1-CE2 4.25Å; L191-F203 HydrophobicContact CD1-CG 3.53Å; L191-F203 HydrophobicContact CD2-CD1 4.27Å; L191-F203 HydrophobicContact CD2-CD2 3.73Å; L191-F203 HydrophobicContact CD2-CE1 3.95Å; L191-F203 HydrophobicContact CD2-CE2 3.38Å; L191-F203 HydrophobicContact CD2-CG 4.19Å; L191-F203 HydrophobicContact CD2-CZ 3.52Å; L191-F203 HydrophobicContact CG-CD2 4.4Å; L191-F203 HydrophobicContact CG-CE2 4.47Å; P194-F203 HydrophobicContact CB-CE1 3.68Å; P194-F203 HydrophobicContact CB-CZ 4Å; N197-F203 HydrophobicContact CB-CB 4.29Å; N197-F203 HydrophobicContact CB-CD1 4.37Å; K198-F203 HydrophobicContact CG-CD1 4.13Å; K198-F203 HydrophobicContact CG-CE1 4.07Å; N200-F203 PolarHBondContact O-N 2.66Å; N200-F203 VanDerWaalsContact O-N 3.12Å; F203-R208 HydrophobicContact CD2-CG 4.27Å; F203-R208 HydrophobicContact CE2-CG 4.39Å; F203-W251 HydrophobicContact CB-CH2 4.2Å; F203-W251 HydrophobicContact CB-CZ3 3.66Å
204	T	98.5	Very high	97.7	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.012	28%	0.278	C	S	.	.			trans	-66.7	151.2	171.2	64.3	0	0	0	0	110.9	L150 L153 N200 Q206 E207 R208	L150-T204 HydrophobicContact CD1-CG2 3.82Å; L150-T204 HydrophobicContact CD2-CG2 3.56Å; L150-T204 HydrophobicContact CG-CG2 4.35Å; L153-T204 HydrophobicContact CD2-CG2 4.45Å; N200-T204 WeakPolarHBondContact O-CG2 3.41Å; N200-T204 PolarHBondContact O-N 3.14Å; T204-Q206 PolarHBondContact O-N 3.43Å; T204-E207 WeakPolarHBondContact CB-OE2 3.27Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.48Å; T204-E207 PolarHBondContact N-OE2 3.22Å; T204-E207 PolarHBondContact O-N 3.13Å; T204-E207 WeakPolarHBondContact OG1-CB 3.4Å; T204-E207 VanDerWaalsContact OG1-CG 3.26Å; T204-E207 WeakPolarHBondContact OG1-CG 3.37Å; T204-E207 PolarHBondContact OG1-N 3.19Å; T204-E207 PolarHBondContact OG1-OE2 3.06Å; T204-R208 WeakPolarHBondContact O-CG 3.29Å; T204-R208 PolarHBondContact O-N 3.08Å; T204-R208 VanDerWaalsContact O-N 3.15Å
205	P	98.4	Very high	97.7	Very high	75 Å²	75	52.6 Å²	52.6	49%	0.487	28%	0.277	S	S	.	.	H	α-helix	trans	-52.9	-37	172.1	-27.3	34.9	0	0	0	113	K198 Q209	K198-P205 WeakPolarHBondContact O-CD 3.5Å; P205-Q209 WeakPolarHBondContact O-CB 3.45Å; P205-Q209 PolarHBondContact O-N 2.85Å
206	Q	98.4	Very high	97.7	Very high	76 Å²	76	51.5 Å²	51.5	36%	0.355	28%	0.275	S	S	.	.	H	α-helix	trans	-67	-47.5	-178.5	-65.8	85.1	-19.7	0	0	112.3	L153 Q157 T204 Q209 G210	L153-Q206 HydrophobicContact CD1-CB 4.3Å; L153-Q206 HydrophobicContact CD2-CG 4.47Å; Q157-Q206 HydrophobicContact CG-CB 4.26Å; T204-Q206 PolarHBondContact O-N 3.43Å; Q206-Q209 PolarHBondContact O-N 3.41Å; Q206-G210 PolarHBondContact O-N 2.87Å
207	E	98.6	Very high	97.7	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-64	-42.6	177.6	-71.7	164.4	123.1	0	0	111	A146 L153 R156 V184 G202 T204 G210 F211	A146-E207 VanDerWaalsContact CB-OE1 3.31Å; A146-E207 WeakPolarHBondContact CB-OE1 3.46Å; L153-E207 HydrophobicContact CD1-CG 3.94Å; R156-E207 HydrophobicContact CG-CG 4.07Å; R156-E207 IonicContact NH1-OE1 2.66Å; R156-E207 PolarHBondContact NH1-OE1 3.14Å; V184-E207 HydrophobicContact CB-CB 4.31Å; V184-E207 HydrophobicContact CG2-CB 3.81Å; G202-E207 VanDerWaalsContact N-CD 3.29Å; G202-E207 PolarHBondContact N-OE1 2.88Å; G202-E207 PolarHBondContact N-OE2 3.36Å; T204-E207 WeakPolarHBondContact CB-OE2 3.27Å; T204-E207 WeakPolarHBondContact CG2-OE2 3.48Å; T204-E207 PolarHBondContact N-OE2 3.22Å; T204-E207 PolarHBondContact O-N 3.13Å; T204-E207 WeakPolarHBondContact OG1-CB 3.4Å; T204-E207 VanDerWaalsContact OG1-CG 3.26Å; T204-E207 WeakPolarHBondContact OG1-CG 3.37Å; T204-E207 PolarHBondContact OG1-N 3.19Å; T204-E207 PolarHBondContact OG1-OE2 3.06Å; E207-G210 PolarHBondContact O-N 2.81Å; E207-F211 PolarHBondContact O-N 2.77Å
208	R	98.6	Very high	97.5	Very high	53 Å²	53	49.6 Å²	49.6	20%	0.2	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-44.8	177.7	-67.8	173.1	63.6	-150	-3.7	112	V184 A185 H186 E187 F203 T204 F211 G212	V184-R208 HydrophobicContact CG2-CG 4.17Å; A185-R208 WeakPolarHBondContact O-CG 3Å; H186-R208 WeakPolarHBondContact O-CG 3.48Å; H186-R208 PolarHBondContact O-NE 3.37Å; E187-R208 IonicContact OE2-CZ 2.94Å; E187-R208 IonicContact OE2-NH2 2.7Å; E187-R208 PolarHBondContact OE2-NH2 3.02Å; F203-R208 HydrophobicContact CD2-CG 4.27Å; F203-R208 HydrophobicContact CE2-CG 4.39Å; T204-R208 WeakPolarHBondContact O-CG 3.29Å; T204-R208 PolarHBondContact O-N 3.08Å; T204-R208 VanDerWaalsContact O-N 3.15Å; R208-F211 WeakPolarHBondContact O-CB 3.04Å; R208-F211 PolarHBondContact O-N 2.93Å; R208-G212 PolarHBondContact O-N 3.01Å
209	Q	98.4	Very high	97.3	Very high	117 Å²	117	48.9 Å²	48.9	55%	0.547	26%	0.26	S	S	.	.	H	α-helix	trans	-61	-46	174.8	179.8	-179.2	-16.2	0	0	111	P205 Q206 F211 G212 E213	P205-Q209 WeakPolarHBondContact O-CB 3.45Å; P205-Q209 PolarHBondContact O-N 2.85Å; Q206-Q209 PolarHBondContact O-N 3.41Å; Q209-F211 VanDerWaalsContact C-N 3.27Å; Q209-F211 PolarHBondContact O-N 2.85Å; Q209-G212 PolarHBondContact O-N 3.46Å; Q209-E213 HydrophobicContact CG-CG 4.28Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.39Å; Q209-E213 PolarHBondContact NE2-OE1 3.07Å; Q209-E213 WeakPolarHBondContact O-CB 3.44Å; Q209-E213 WeakPolarHBondContact O-CG 3.43Å; Q209-E213 PolarHBondContact O-N 2.87Å
210	G	98	Very high	97.4	Very high	9 Å²	9	40.7 Å²	40.7	9%	0.093	23%	0.225	C	C	.	.	H	α-helix	trans	-57.9	-40	177.4	0	0	0	0	0	112.7	Q206 E207 M214	Q206-G210 PolarHBondContact O-N 2.87Å; E207-G210 PolarHBondContact O-N 2.81Å; G210-M214 WeakPolarHBondContact O-CB 3.45Å; G210-M214 PolarHBondContact O-N 2.81Å
211	F	98.4	Very high	97.5	Very high	5 Å²	5	37.6 Å²	37.6	2%	0.022	21%	0.21	C	C	.	.	H	α-helix	trans	-64	-49.5	173.7	-169.8	-87.9	0	0	0	112.4	L182 V184 H186 E207 R208 Q209 E213 M214 L215 Y255 L257	L182-F211 HydrophobicContact CB-CE2 4.41Å; L182-F211 HydrophobicContact CD1-CD2 4.45Å; L182-F211 HydrophobicContact CD1-CE2 3.68Å; V184-F211 HydrophobicContact CG1-CB 3.99Å; V184-F211 HydrophobicContact CG1-CD2 3.35Å; V184-F211 HydrophobicContact CG1-CE2 4.05Å; V184-F211 HydrophobicContact CG1-CG 3.95Å; H186-F211 HydrophobicContact CB-CD1 3.73Å; H186-F211 HydrophobicContact CB-CE1 3.75Å; H186-F211 HydrophobicContact CB-CG 4.43Å; H186-F211 HydrophobicContact CB-CZ 4.48Å; H186-F211 AromaticContact CD2-CD1 3.48Å; H186-F211 VanDerWaalsContact CD2-CD1 3.48Å; H186-F211 WeakPolarHBondContact CD2-CD1 3.39Å; H186-F211 AromaticContact CE1-CD1 3.94Å; H186-F211 AromaticContact CG-CD1 3.36Å; H186-F211 AromaticContact CG-CE1 3.62Å; H186-F211 AromaticContact ND1-CD1 3.66Å; H186-F211 AromaticContact ND1-CE1 3.64Å; H186-F211 AromaticContact NE2-CD1 3.83Å; E207-F211 PolarHBondContact O-N 2.77Å; R208-F211 WeakPolarHBondContact O-CB 3.04Å; R208-F211 PolarHBondContact O-N 2.93Å; Q209-F211 VanDerWaalsContact C-N 3.27Å; Q209-F211 PolarHBondContact O-N 2.85Å; F211-E213 PolarHBondContact O-N 2.8Å; F211-M214 HydrophobicContact CD2-CE 3.89Å; F211-M214 HydrophobicContact CE2-CE 4.11Å; F211-M214 HydrophobicContact CG-CE 4.44Å; F211-M214 WeakPolarHBondContact O-CB 3.13Å; F211-M214 PolarHBondContact O-N 2.79Å; F211-M214 VanDerWaalsContact O-N 3.14Å; F211-L215 HydrophobicContact CD1-CD1 3.98Å; F211-L215 HydrophobicContact CD1-CG 4.09Å; F211-L215 HydrophobicContact CE1-CD1 3.64Å; F211-L215 HydrophobicContact CE1-CD2 4.17Å; F211-L215 HydrophobicContact CE1-CG 3.94Å; F211-L215 HydrophobicContact CZ-CD2 4.5Å; F211-L215 PolarHBondContact O-N 2.84Å; F211-Y255 HydrophobicContact CE1-CE1 4.33Å; F211-Y255 HydrophobicContact CE2-CD1 4.17Å; F211-Y255 HydrophobicContact CE2-CD2 4.22Å; F211-Y255 HydrophobicContact CE2-CE1 4.05Å; F211-Y255 HydrophobicContact CE2-CE2 4.14Å; F211-Y255 HydrophobicContact CE2-CG 4.26Å; F211-Y255 AromaticContact CZ-CD1 3.67Å; F211-Y255 HydrophobicContact CZ-CD1 3.67Å; F211-Y255 AromaticContact CZ-CE1 3.5Å; F211-Y255 HydrophobicContact CZ-CE1 3.5Å; F211-Y255 VanDerWaalsContact CZ-CE1 3.5Å; F211-Y255 HydrophobicContact CZ-CE2 4.42Å; F211-Y255 HydrophobicContact CZ-CG 4.19Å; F211-Y255 AromaticContact CZ-CZ 3.95Å; F211-L257 HydrophobicContact CE2-CD1 4.11Å; F211-L257 HydrophobicContact CZ-CD1 4.1Å; F211-L257 HydrophobicContact CZ-CD2 3.97Å
212	G	98.3	Very high	97.6	Very high	23 Å²	23	37.1 Å²	37.1	24%	0.237	20%	0.204	C	C	.	.	H	α-helix	trans	-59.6	-43.5	177.2	0	0	0	0	0	112.8	R208 Q209 M214 L215 Q216	R208-G212 PolarHBondContact O-N 3.01Å; Q209-G212 PolarHBondContact O-N 3.46Å; G212-M214 VanDerWaalsContact C-N 3.31Å; G212-M214 PolarHBondContact O-N 3.48Å; G212-L215 PolarHBondContact O-N 3.1Å; G212-Q216 PolarHBondContact O-N 3.41Å
213	E	97.8	Very high	97.7	Very high	65 Å²	65	37 Å²	37	30%	0.304	20%	0.203	S	C	.	.	H	α-helix	trans	-61.9	-37.3	174.7	-73.1	174.6	-175.4	0	0	112.2	R164 Q209 F211 Q216 A217	R164-E213 IonicContact CZ-OE2 3.82Å; R164-E213 VanDerWaalsContact NH1-CB 3.27Å; R164-E213 IonicContact NH1-OE2 2.68Å; R164-E213 PolarHBondContact NH1-OE2 2.88Å; R164-E213 IonicContact NH2-OE2 3.94Å; R164-E213 PolarHBondContact NH2-OE2 2.83Å; Q209-E213 HydrophobicContact CG-CG 4.28Å; Q209-E213 WeakPolarHBondContact CG-OE1 3.39Å; Q209-E213 PolarHBondContact NE2-OE1 3.07Å; Q209-E213 WeakPolarHBondContact O-CB 3.44Å; Q209-E213 WeakPolarHBondContact O-CG 3.43Å; Q209-E213 PolarHBondContact O-N 2.87Å; F211-E213 PolarHBondContact O-N 2.8Å; E213-Q216 PolarHBondContact O-N 3.03Å; E213-A217 WeakPolarHBondContact O-CB 3.5Å; E213-A217 PolarHBondContact O-N 2.83Å
214	M	96.4	Very high	97.7	Very high	16 Å²	16	37.2 Å²	37.2	8%	0.079	20%	0.204	C	C	.	.	H	α-helix	trans	-64.1	-47.5	174.8	178.3	-174.8	61.7	0	0	111.2	F163 L167 L178 L182 G210 F211 G212 Q216 A217 V218 L257	F163-M214 HydrophobicContact CD1-SD 4.33Å; F163-M214 HydrophobicContact CE1-SD 4.34Å; L167-M214 HydrophobicContact CD1-CG 4.21Å; L167-M214 HydrophobicContact CD1-SD 3.8Å; L178-M214 HydrophobicContact CD2-CE 4.46Å; L178-M214 HydrophobicContact CD2-SD 4.06Å; L182-M214 HydrophobicContact CD1-CE 4.36Å; G210-M214 WeakPolarHBondContact O-CB 3.45Å; G210-M214 PolarHBondContact O-N 2.81Å; F211-M214 HydrophobicContact CD2-CE 3.89Å; F211-M214 HydrophobicContact CE2-CE 4.11Å; F211-M214 HydrophobicContact CG-CE 4.44Å; F211-M214 WeakPolarHBondContact O-CB 3.13Å; F211-M214 PolarHBondContact O-N 2.79Å; F211-M214 VanDerWaalsContact O-N 3.14Å; G212-M214 VanDerWaalsContact C-N 3.31Å; G212-M214 PolarHBondContact O-N 3.48Å; M214-Q216 VanDerWaalsContact C-N 3.29Å; M214-Q216 PolarHBondContact O-N 2.82Å; M214-A217 PolarHBondContact O-N 3.46Å; M214-V218 HydrophobicContact CG-CG2 4.46Å; M214-V218 WeakPolarHBondContact O-CB 3.42Å; M214-V218 PolarHBondContact O-N 3.06Å; M214-V218 VanDerWaalsContact O-N 3.11Å; M214-L257 HydrophobicContact CE-CD1 3.36Å
215	L	97.5	Very high	97.7	Very high	26 Å²	26	39 Å²	39	14%	0.136	21%	0.21	C	C	.	.	H	α-helix	trans	-57.6	-43.6	176.2	-64.8	-173.1	0	0	0	111.5	F211 G212 P219 L220 L257	F211-L215 HydrophobicContact CD1-CD1 3.98Å; F211-L215 HydrophobicContact CD1-CG 4.09Å; F211-L215 HydrophobicContact CE1-CD1 3.64Å; F211-L215 HydrophobicContact CE1-CD2 4.17Å; F211-L215 HydrophobicContact CE1-CG 3.94Å; F211-L215 HydrophobicContact CZ-CD2 4.5Å; F211-L215 PolarHBondContact O-N 2.84Å; G212-L215 PolarHBondContact O-N 3.1Å; L215-P219 CarbonylContact O-C 3.57Å; L215-P219 WeakPolarHBondContact O-CA 3.25Å; L215-L220 HydrophobicContact CD2-CB 3.97Å; L215-L220 PolarHBondContact O-N 2.81Å; L215-L257 HydrophobicContact CD2-CD1 3.83Å; L215-L257 HydrophobicContact CD2-CD2 3.98Å; L215-L257 HydrophobicContact CD2-CG 4.39Å
216	Q	97.5	Very high	97.7	Very high	163 Å²	163	40.2 Å²	40.2	76%	0.762	21%	0.209	S	C	*	.	H	α-helix	trans	-71.7	-43.8	-178.9	-171.6	-175.5	0.9	0	0	113	G212 E213 M214 P219	G212-Q216 PolarHBondContact O-N 3.41Å; E213-Q216 PolarHBondContact O-N 3.03Å; M214-Q216 VanDerWaalsContact C-N 3.29Å; M214-Q216 PolarHBondContact O-N 2.82Å; Q216-P219 WeakPolarHBondContact O-CD 3.38Å
217	A	96	Very high	97.7	Very high	38 Å²	38	39.5 Å²	39.5	31%	0.314	21%	0.207	S	C	.	.	H	α-helix	trans	-80.3	-27.4	-171.2	0	0	0	0	0	114.2	R164 E213 M214 P219	R164-A217 HydrophobicContact CG-CB 4.03Å; E213-A217 WeakPolarHBondContact O-CB 3.5Å; E213-A217 PolarHBondContact O-N 2.83Å; M214-A217 PolarHBondContact O-N 3.46Å; A217-P219 WeakPolarHBondContact O-CD 3.37Å
218	V	94.8	Very high	97.8	Very high	6 Å²	6	41.7 Å²	41.7	4%	0.036	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	8.6	177.4	-170.8	0	0	0	0	111.9	R164 L167 K168 A171 L176 M214 L220	R164-V218 HydrophobicContact CG-CG2 4.16Å; L167-V218 HydrophobicContact CB-CG1 4Å; L167-V218 HydrophobicContact CB-CG2 3.92Å; K168-V218 HydrophobicContact CB-CG2 4.34Å; A171-V218 HydrophobicContact CB-CG1 3.78Å; L176-V218 HydrophobicContact CD2-CG1 4.17Å; M214-V218 HydrophobicContact CG-CG2 4.46Å; M214-V218 WeakPolarHBondContact O-CB 3.42Å; M214-V218 PolarHBondContact O-N 3.06Å; M214-V218 VanDerWaalsContact O-N 3.11Å; V218-L220 HydrophobicContact CB-CD1 4.01Å; V218-L220 HydrophobicContact CB-CG 3.88Å; V218-L220 HydrophobicContact CG1-CD1 3.83Å; V218-L220 HydrophobicContact CG1-CD2 4.16Å; V218-L220 HydrophobicContact CG1-CG 3.73Å
219	P	92.7	Very high	97.8	Very high	73 Å²	73	42.5 Å²	42.5	47%	0.474	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	18.2	75.5	-149.8	10	-31.5	0	0	0	115.3	L215 Q216 A217 H260	L215-P219 CarbonylContact O-C 3.57Å; L215-P219 WeakPolarHBondContact O-CA 3.25Å; Q216-P219 WeakPolarHBondContact O-CD 3.38Å; A217-P219 WeakPolarHBondContact O-CD 3.37Å; P219-H260 PolarHBondContact O-CE1 2.87Å; P219-H260 PolarHBondContact O-ND1 3.3Å
220	L	97.9	Very high	97.8	Very high	5 Å²	5	43.8 Å²	43.8	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	145.4	172.4	-63.5	173.3	0	0	0	111.1	L176 L178 L215 V218 L257 L258	L176-L220 HydrophobicContact CB-CD2 4.4Å; L176-L220 HydrophobicContact CD2-CD1 4.35Å; L176-L220 HydrophobicContact CD2-CD2 4.17Å; L176-L220 HydrophobicContact CG-CD2 4.48Å; L178-L220 HydrophobicContact CD2-CD1 4.38Å; L215-L220 HydrophobicContact CD2-CB 3.97Å; L215-L220 PolarHBondContact O-N 2.81Å; V218-L220 HydrophobicContact CB-CD1 4.01Å; V218-L220 HydrophobicContact CB-CG 3.88Å; V218-L220 HydrophobicContact CG1-CD1 3.83Å; V218-L220 HydrophobicContact CG1-CD2 4.16Å; V218-L220 HydrophobicContact CG1-CG 3.73Å; L220-L257 HydrophobicContact CB-CB 4.22Å; L220-L257 HydrophobicContact CD1-CB 4.17Å; L220-L258 CarbonylContact C-O 3.59Å; L220-L258 VanDerWaalsContact CA-O 3.28Å; L220-L258 WeakPolarHBondContact CA-O 3.23Å; L220-L258 VanDerWaalsContact CD2-C 3.45Å
221	A	98.6	Very high	97.8	Very high	12 Å²	12	45.6 Å²	45.6	10%	0.099	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	135.1	172.3	0	0	0	0	0	109.7	S223 L257 L258 L263	A221-S223 PolarHBondContact O-N 2.87Å; A221-L257 CarbonylContact O-C 3.5Å; A221-L257 WeakPolarHBondContact O-CA 3.43Å; A221-L258 PolarHBondContact N-O 3.4Å; A221-L258 PolarHBondContact O-N 3.3Å; A221-L263 HydrophobicContact CB-CD1 4.14Å; A221-L263 HydrophobicContact CB-CD2 3.85Å; A221-L263 HydrophobicContact CB-CG 4.37Å
222	D	98.9	Very high	97.8	Very high	13 Å²	13	47.2 Å²	47.2	7%	0.07	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	109.2	167.9	179.7	-24.6	0	0	0	109.2	F224 R225 H226 R252 Y255 L257	D222-F224 VanDerWaalsContact C-N 3.35Å; D222-F224 PolarHBondContact O-N 3.2Å; D222-F224 PolarHBondContact OD1-N 2.81Å; D222-R225 HydrophobicContact CB-CB 4.06Å; D222-R225 PolarHBondContact O-N 3.16Å; D222-R225 PolarHBondContact OD1-N 2.96Å; D222-R225 VanDerWaalsContact OD1-N 3.07Å; D222-H226 WeakPolarHBondContact O-CB 3.49Å; D222-H226 PolarHBondContact O-N 2.96Å; D222-R252 IonicContact OD1-CZ 3.97Å; D222-R252 IonicContact OD1-NH1 3.25Å; D222-R252 PolarHBondContact OD1-NH1 3.25Å; D222-R252 IonicContact OD1-NH2 3.34Å; D222-R252 IonicContact OD2-CZ 3.77Å; D222-R252 VanDerWaalsContact OD2-CZ 3.25Å; D222-R252 IonicContact OD2-NH1 2.86Å; D222-R252 PolarHBondContact OD2-NH1 3.3Å; D222-R252 IonicContact OD2-NH2 3.81Å; D222-R252 PolarHBondContact OD2-NH2 3.26Å; D222-Y255 WeakPolarHBondContact OD2-CD1 3.21Å; D222-Y255 WeakPolarHBondContact OD2-CE1 3.47Å; D222-L257 HydrophobicContact CB-CD2 3.91Å
223	S	98.9	Very high	97.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-63.2	-40.1	-172.3	60	0	0	0	0	112.6	A221 L227 F256 S269	A221-S223 PolarHBondContact O-N 2.87Å; S223-L227 WeakPolarHBondContact O-CG 3.05Å; S223-L227 PolarHBondContact O-N 2.87Å; S223-F256 PolarHBondContact N-O 3.03Å; S223-F256 VanDerWaalsContact OG-CB 3.28Å; S223-F256 WeakPolarHBondContact OG-CB 3.44Å; S223-F256 PolarHBondContact OG-O 3.36Å; S223-S269 WeakPolarHBondContact OG-CB 3.3Å; S223-S269 PolarHBondContact OG-OG 2.83Å
224	F	98.9	Very high	97.8	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.022	25%	0.251	C	S	.	.	H	α-helix	trans	-66.3	-48.6	179.1	-177.5	-89.9	0	0	0	110	D222 H226 L227 Y228 A234 S269 I271	D222-F224 VanDerWaalsContact C-N 3.35Å; D222-F224 PolarHBondContact O-N 3.2Å; D222-F224 PolarHBondContact OD1-N 2.81Å; F224-H226 VanDerWaalsContact C-N 3.3Å; F224-H226 PolarHBondContact O-N 3.33Å; F224-L227 PolarHBondContact O-N 3.23Å; F224-Y228 AromaticContact CD2-CD2 3.81Å; F224-Y228 HydrophobicContact CD2-CD2 3.81Å; F224-Y228 HydrophobicContact CD2-CE2 4.35Å; F224-Y228 HydrophobicContact CE1-CD2 4.46Å; F224-Y228 AromaticContact CE2-CD2 3.63Å; F224-Y228 HydrophobicContact CE2-CD2 3.63Å; F224-Y228 HydrophobicContact CE2-CE2 4.18Å; F224-Y228 HydrophobicContact CE2-CG 4.43Å; F224-Y228 HydrophobicContact CG-CD2 4.28Å; F224-Y228 AromaticContact CZ-CD2 3.97Å; F224-Y228 HydrophobicContact CZ-CD2 3.97Å; F224-Y228 HydrophobicContact CZ-CG 4.34Å; F224-Y228 WeakPolarHBondContact O-CB 3.32Å; F224-Y228 WeakPolarHBondContact O-CD2 3.16Å; F224-Y228 PolarHBondContact O-N 2.94Å; F224-A234 HydrophobicContact CE1-CB 3.77Å; F224-A234 HydrophobicContact CZ-CB 3.49Å; F224-A234 VanDerWaalsContact CZ-CB 3.49Å; F224-S269 VanDerWaalsContact CD2-O 3.31Å; F224-S269 WeakPolarHBondContact CD2-O 3.15Å; F224-S269 PolarHBondContact N-OG 2.7Å; F224-I271 HydrophobicContact CD2-CD1 3.88Å; F224-I271 HydrophobicContact CD2-CG1 3.97Å; F224-I271 HydrophobicContact CE1-CD1 4.21Å; F224-I271 HydrophobicContact CE2-CD1 3.51Å; F224-I271 HydrophobicContact CE2-CG1 3.79Å; F224-I271 HydrophobicContact CG-CD1 4.39Å; F224-I271 HydrophobicContact CZ-CD1 3.7Å; F224-I271 HydrophobicContact CZ-CG1 4.47Å
225	R	98.9	Very high	97.9	Very high	38 Å²	38	46.1 Å²	46.1	14%	0.143	25%	0.248	C	C	.	.	H	α-helix	trans	-73.8	-23	-177.6	-162.1	59.4	67.4	-166.8	9.5	112.7	D190 D222 Y228 P229 T231	D190-R225 IonicContact OD1-CZ 3.38Å; D190-R225 IonicContact OD1-NE 3.35Å; D190-R225 IonicContact OD1-NH2 3.94Å; D190-R225 PolarHBondContact OD1-NH2 3.01Å; D222-R225 HydrophobicContact CB-CB 4.06Å; D222-R225 PolarHBondContact O-N 3.16Å; D222-R225 PolarHBondContact OD1-N 2.96Å; D222-R225 VanDerWaalsContact OD1-N 3.07Å; R225-Y228 PolarHBondContact NH1-O 3.09Å; R225-P229 VanDerWaalsContact CD-O 3.3Å; R225-P229 WeakPolarHBondContact CD-O 3.23Å; R225-P229 WeakPolarHBondContact O-CA 3.29Å; R225-P229 WeakPolarHBondContact O-CB 3.33Å; R225-T231 PolarHBondContact NH1-O 3.44Å
226	H	98.8	Very high	98	Very high	102 Å²	102	44.9 Å²	44.9	47%	0.472	24%	0.242	S	C	.	.	H	α-helix	trans	-64	-45	169.7	-178.1	83.3	0	0	0	111.8	D222 F224	D222-H226 WeakPolarHBondContact O-CB 3.49Å; D222-H226 PolarHBondContact O-N 2.96Å; F224-H226 VanDerWaalsContact C-N 3.3Å; F224-H226 PolarHBondContact O-N 3.33Å
227	L	98.8	Very high	98.1	Very high	61 Å²	61	39 Å²	39	32%	0.319	21%	0.213	S	C	.	.	H	α-helix	trans	-80.1	-33.9	179.6	-64.6	171.9	0	0	0	112.8	S223 F224 P229 L266	S223-L227 WeakPolarHBondContact O-CG 3.05Å; S223-L227 PolarHBondContact O-N 2.87Å; F224-L227 PolarHBondContact O-N 3.23Å; L227-P229 VanDerWaalsContact C-CD 3.41Å; L227-P229 WeakPolarHBondContact O-CD 3.28Å; L227-L266 HydrophobicContact CD1-CD1 4.34Å; L227-L266 HydrophobicContact CD1-CD2 3.89Å; L227-L266 HydrophobicContact CD1-CG 4.03Å; L227-L266 HydrophobicContact CD2-CD2 4.13Å; L227-L266 HydrophobicContact CD2-CG 4.43Å; L227-L266 HydrophobicContact CG-CD2 3.87Å; L227-L266 HydrophobicContact CG-CG 4.41Å
228	Y	98.7	Very high	98.2	Very high	45 Å²	45	37.5 Å²	37.5	18%	0.176	20%	0.2	C	C	.	.			trans	-127.6	59.4	-171.4	-54.9	-63.9	0	0	0	111.8	P42 F224 R225 N230 T231 D268 K270	P42-Y228 HydrophobicContact CG-CE1 3.75Å; P42-Y228 WeakPolarHBondContact CG-OH 3.42Å; F224-Y228 AromaticContact CD2-CD2 3.81Å; F224-Y228 HydrophobicContact CD2-CD2 3.81Å; F224-Y228 HydrophobicContact CD2-CE2 4.35Å; F224-Y228 HydrophobicContact CE1-CD2 4.46Å; F224-Y228 AromaticContact CE2-CD2 3.63Å; F224-Y228 HydrophobicContact CE2-CD2 3.63Å; F224-Y228 HydrophobicContact CE2-CE2 4.18Å; F224-Y228 HydrophobicContact CE2-CG 4.43Å; F224-Y228 HydrophobicContact CG-CD2 4.28Å; F224-Y228 AromaticContact CZ-CD2 3.97Å; F224-Y228 HydrophobicContact CZ-CD2 3.97Å; F224-Y228 HydrophobicContact CZ-CG 4.34Å; F224-Y228 WeakPolarHBondContact O-CB 3.32Å; F224-Y228 WeakPolarHBondContact O-CD2 3.16Å; F224-Y228 PolarHBondContact O-N 2.94Å; R225-Y228 PolarHBondContact NH1-O 3.09Å; Y228-N230 VanDerWaalsContact C-N 3.27Å; Y228-N230 PolarHBondContact O-N 3.2Å; Y228-T231 PolarHBondContact O-N 2.92Å; Y228-D268 PolarHBondContact OH-OD1 3.13Å; Y228-K270 PolarHBondContact OH-NZ 3.43Å
229	P	98.8	Very high	98.3	Very high	71 Å²	71	39.5 Å²	39.5	46%	0.461	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-33.6	-169.8	23.1	-34.2	0	0	0	113.4	R225 L227	R225-P229 VanDerWaalsContact CD-O 3.3Å; R225-P229 WeakPolarHBondContact CD-O 3.23Å; R225-P229 WeakPolarHBondContact O-CA 3.29Å; R225-P229 WeakPolarHBondContact O-CB 3.33Å; L227-P229 VanDerWaalsContact C-CD 3.41Å; L227-P229 WeakPolarHBondContact O-CD 3.28Å
230	N	98.5	Very high	98.5	Very high	143 Å²	143	41.8 Å²	41.8	77%	0.765	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-108	3.8	-174.5	-57.4	-46.8	0	0	0	113.6	Y228 A232	Y228-N230 VanDerWaalsContact C-N 3.27Å; Y228-N230 PolarHBondContact O-N 3.2Å; N230-A232 PolarHBondContact O-N 3.21Å; N230-A232 VanDerWaalsContact O-N 3.17Å
231	T	98.6	Very high	98.5	Very high	47 Å²	47	47.7 Å²	47.7	29%	0.288	24%	0.241	S	C	.	.			trans	-76.9	105.8	-177.8	-58.1	0	0	0	0	110.3	Y39 R225 Y228 A234	Y39-T231 HydrophobicContact CD2-CG2 4.47Å; Y39-T231 HydrophobicContact CE2-CG2 3.85Å; R225-T231 PolarHBondContact NH1-O 3.44Å; Y228-T231 PolarHBondContact O-N 2.92Å; T231-A234 HydrophobicContact CG2-CB 4.34Å
232	A	98.2	Very high	98.3	Very high	39 Å²	39	54.7 Å²	54.7	32%	0.322	27%	0.274	S	S	.	.			trans	-81.4	169	173.5	0	0	0	0	0	111.7	I189 N230 A234	I189-A232 HydrophobicContact CD1-CB 4.29Å; I189-A232 HydrophobicContact CG1-CB 4.04Å; N230-A232 PolarHBondContact O-N 3.21Å; N230-A232 VanDerWaalsContact O-N 3.17Å; A232-A234 PolarHBondContact O-N 3.07Å; A232-A234 VanDerWaalsContact O-N 3.14Å
233	Y	98.4	Very high	98.2	Very high	77 Å²	77	59.5 Å²	59.5	30%	0.302	30%	0.299	S	S	.	.	S	Bend	trans	67.6	6.8	174.4	-48.9	-72.7	0	0	0	116.6	V37 Y39 Y235 N248	V37-Y233 HydrophobicContact CB-CD1 4.29Å; V37-Y233 HydrophobicContact CB-CE1 4.21Å; V37-Y233 HydrophobicContact CB-CE2 4.42Å; V37-Y233 HydrophobicContact CB-CG 4.45Å; V37-Y233 HydrophobicContact CG1-CD1 4.14Å; V37-Y233 HydrophobicContact CG1-CD2 3.55Å; V37-Y233 HydrophobicContact CG1-CE1 4.22Å; V37-Y233 HydrophobicContact CG1-CE2 3.62Å; V37-Y233 HydrophobicContact CG1-CG 3.83Å; Y39-Y233 WeakPolarHBondContact CB-O 3.42Å; Y233-Y235 VanDerWaalsContact CA-CZ 3.5Å; Y233-Y235 WeakPolarHBondContact CA-OH 3.47Å; Y233-Y235 HydrophobicContact CD1-CE2 4.49Å; Y233-Y235 WeakPolarHBondContact CD1-OH 3.37Å; Y233-Y235 WeakPolarHBondContact O-CD2 3.31Å; Y233-Y235 PolarHBondContact O-N 3.09Å; Y233-N248 PolarHBondContact O-ND2 3.06Å
234	A	98.7	Very high	98.1	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	30%	0.302	C	S	.	.			trans	-88.7	97.7	178.4	0	0	0	0	0	110.6	Y39 F224 T231 A232 I271	Y39-A234 HydrophobicContact CD1-CB 4.25Å; Y39-A234 HydrophobicContact CD2-CB 4.1Å; Y39-A234 HydrophobicContact CE1-CB 3.86Å; Y39-A234 HydrophobicContact CE2-CB 3.73Å; Y39-A234 HydrophobicContact CG-CB 4.34Å; F224-A234 HydrophobicContact CE1-CB 3.77Å; F224-A234 HydrophobicContact CZ-CB 3.49Å; F224-A234 VanDerWaalsContact CZ-CB 3.49Å; T231-A234 HydrophobicContact CG2-CB 4.34Å; A232-A234 PolarHBondContact O-N 3.07Å; A232-A234 VanDerWaalsContact O-N 3.14Å; A234-I271 HydrophobicContact CB-CD1 3.96Å
235	Y	98.8	Very high	98.1	Very high	5 Å²	5	62.2 Å²	62.2	2%	0.02	31%	0.311	C	S	.	.			trans	-119.5	158.3	-173.3	-52.7	-46.5	0	0	0	111.6	R192 Y233 W238 N248 G250 W251 I271	R192-Y235 VanDerWaalsContact CA-OH 3.23Å; R192-Y235 WeakPolarHBondContact CA-OH 3.22Å; R192-Y235 HydrophobicContact CB-CE2 4.02Å; R192-Y235 PolarHBondContact N-OH 3.27Å; Y233-Y235 VanDerWaalsContact CA-CZ 3.5Å; Y233-Y235 WeakPolarHBondContact CA-OH 3.47Å; Y233-Y235 HydrophobicContact CD1-CE2 4.49Å; Y233-Y235 WeakPolarHBondContact CD1-OH 3.37Å; Y233-Y235 WeakPolarHBondContact O-CD2 3.31Å; Y233-Y235 PolarHBondContact O-N 3.09Å; Y235-W238 AromaticContact CD2-NE1 3.94Å; Y235-W238 WeakPolarHBondContact O-CH2 3.4Å; Y235-W238 WeakPolarHBondContact O-CZ2 3.38Å; Y235-N248 WeakPolarHBondContact CD2-OD1 3.39Å; Y235-N248 WeakPolarHBondContact CE2-O 3.31Å; Y235-G250 VanDerWaalsContact CD2-CA 3.48Å; Y235-W251 WeakPolarHBondContact CB-O 3.26Å; Y235-I271 WeakPolarHBondContact O-CG2 3.45Å
236	T	98.9	Very high	98	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-118.3	-17.9	178.7	62	0	0	0	0	112.6	W238 W251 R252 L253 D254 I271 H280 C281 I283	T236-W238 WeakPolarHBondContact O-CZ3 3.44Å; T236-W251 PolarHBondContact N-O 2.79Å; T236-R252 HydrophobicContact CG2-CG 4.06Å; T236-L253 PolarHBondContact OG1-N 3.4Å; T236-D254 WeakPolarHBondContact CB-OD2 3.2Å; T236-D254 HydrophobicContact CG2-CB 4.06Å; T236-D254 PolarHBondContact OG1-N 3.02Å; T236-D254 VanDerWaalsContact OG1-N 3.1Å; T236-D254 PolarHBondContact OG1-OD2 3.34Å; T236-I271 HydrophobicContact CG2-CD1 4.12Å; T236-I271 HydrophobicContact CG2-CG1 4.13Å; T236-I271 HydrophobicContact CG2-CG2 4.17Å; T236-H280 CarbonylContact O-C 3.51Å; T236-H280 WeakPolarHBondContact O-CA 3.5Å; T236-C281 PolarHBondContact O-N 3.49Å; T236-I283 HydrophobicContact CG2-CG2 3.53Å
237	F	98.8	Very high	97.9	Very high	39 Å²	39	64.4 Å²	64.4	17%	0.171	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-126.3	139.5	179.9	166.6	-102.3	0	0	0	111.7	G250 W251 L253 D279 H280	F237-G250 CarbonylContact O-C 3.51Å; F237-G250 WeakPolarHBondContact O-CA 3.48Å; F237-W251 HydrophobicContact CD1-CB 4.07Å; F237-W251 AromaticContact CD1-CD1 3.74Å; F237-W251 HydrophobicContact CD1-CG 4.04Å; F237-W251 PolarHBondContact N-O 3.44Å; F237-W251 PolarHBondContact O-N 2.94Å; F237-L253 HydrophobicContact CB-CD1 3.78Å; F237-L253 HydrophobicContact CB-CG 4.1Å; F237-L253 HydrophobicContact CD1-CD1 3.75Å; F237-L253 HydrophobicContact CE1-CD1 4.5Å; F237-L253 HydrophobicContact CG-CD1 3.79Å; F237-D279 WeakPolarHBondContact CA-O 3.48Å; F237-D279 HydrophobicContact CD2-CB 4.21Å; F237-D279 HydrophobicContact CE2-CB 4.03Å; F237-H280 AromaticContact CD2-CD2 3.63Å; F237-H280 AromaticContact CD2-CE1 3.77Å; F237-H280 AromaticContact CD2-NE2 3.29Å; F237-H280 VanDerWaalsContact CD2-NE2 3.29Å; F237-H280 WeakPolarHBondContact CD2-NE2 3.36Å; F237-H280 AromaticContact CE2-NE2 3.99Å
238	W	98.7	Very high	97.9	Very high	6 Å²	6	62 Å²	62	2%	0.023	32%	0.317	C	S	.	.			trans	-141.1	127.9	169	-56	-101.2	0	0	0	109.6	Y235 T236 Y240 A244 R245 N248 V249 D279 C281	Y235-W238 AromaticContact CD2-NE1 3.94Å; Y235-W238 WeakPolarHBondContact O-CH2 3.4Å; Y235-W238 WeakPolarHBondContact O-CZ2 3.38Å; T236-W238 WeakPolarHBondContact O-CZ3 3.44Å; W238-Y240 PolarHBondContact O-N 2.97Å; W238-A244 HydrophobicContact CB-CB 4.35Å; W238-R245 HydrophobicContact CB-CB 3.75Å; W238-R245 HydrophobicContact CB-CG 4.2Å; W238-R245 HydrophobicContact CD2-CB 4.36Å; W238-R245 HydrophobicContact CD2-CG 3.86Å; W238-R245 HydrophobicContact CE3-CG 4.01Å; W238-R245 HydrophobicContact CG-CB 3.92Å; W238-R245 HydrophobicContact CG-CG 3.97Å; W238-N248 PolarHBondContact NE1-OD1 3.08Å; W238-V249 VanDerWaalsContact CD1-C 3.49Å; W238-D279 PolarHBondContact N-O 3.32Å; W238-D279 VanDerWaalsContact O-CB 3.32Å; W238-D279 WeakPolarHBondContact O-CB 3.34Å; W238-C281 HydrophobicContact CH2-CB 4.45Å; W238-C281 HydrophobicContact CZ3-CB 3.98Å
239	T	97.7	Very high	97.9	Very high	49 Å²	49	62 Å²	62	30%	0.301	32%	0.322	S	S	.	.			trans	-54.8	139.2	173.4	-177.7	0	0	0	0	111.2	M241 A244	T239-M241 HydrophobicContact CG2-CB 4.34Å; T239-M241 PolarHBondContact O-N 3.05Å; T239-M241 VanDerWaalsContact O-N 3.14Å; T239-M241 WeakPolarHBondContact OG1-CE 3.23Å; T239-M241 PolarHBondContact OG1-N 3.22Å; T239-A244 HydrophobicContact CG2-CB 3.67Å; T239-A244 WeakPolarHBondContact O-CB 3.47Å
240	Y	96.9	Very high	97.9	Very high	121 Å²	121	58.6 Å²	58.6	48%	0.475	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.3	173.2	-68	-65.3	0	0	0	113.1	D64 W238 D279	D64-Y240 VanDerWaalsContact OD2-CE2 3.3Å; D64-Y240 WeakPolarHBondContact OD2-CE2 3.47Å; D64-Y240 PolarHBondContact OD2-OH 2.84Å; W238-Y240 PolarHBondContact O-N 2.97Å; Y240-D279 HydrophobicContact CD1-CB 4.29Å; Y240-D279 HydrophobicContact CD2-CB 3.94Å; Y240-D279 HydrophobicContact CE1-CB 3.94Å; Y240-D279 HydrophobicContact CE2-CB 3.55Å; Y240-D279 HydrophobicContact CG-CB 4.31Å; Y240-D279 PolarHBondContact OH-N 3.03Å
241	M	96.7	Very high	97.9	Very high	128 Å²	128	53.6 Å²	53.6	63%	0.631	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-72.7	152.7	-177.6	-62.5	-175.1	-71.7	0	0	112.4	T239 N243 A244	T239-M241 HydrophobicContact CG2-CB 4.34Å; T239-M241 PolarHBondContact O-N 3.05Å; T239-M241 VanDerWaalsContact O-N 3.14Å; T239-M241 WeakPolarHBondContact OG1-CE 3.23Å; T239-M241 PolarHBondContact OG1-N 3.22Å; M241-N243 PolarHBondContact O-N 3Å; M241-A244 PolarHBondContact O-N 3.39Å; M241-A244 VanDerWaalsContact O-N 3.17Å
242	M	95.6	Very high	97.9	Very high	159 Å²	159	51.5 Å²	51.5	78%	0.783	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	58.2	21.8	168.5	-56.2	-60.9	158.7	0	0	115.5	A244 K247	M242-A244 PolarHBondContact O-N 3.36Å; M242-K247 PolarHBondContact O-NZ 2.8Å
243	N	95.6	Very high	97.9	Very high	114 Å²	114	50.2 Å²	50.2	61%	0.61	25%	0.245	S	C	*	.	G	3₁₀ helix	trans	52.9	41.7	-175.2	-67.2	-17.6	0	0	0	112.1	M241 R245 S246 K247	M241-N243 PolarHBondContact O-N 3Å; N243-R245 VanDerWaalsContact C-N 3.28Å; N243-R245 PolarHBondContact O-N 2.93Å; N243-S246 PolarHBondContact O-N 3.23Å; N243-S246 PolarHBondContact O-OG 3.14Å; N243-S246 VanDerWaalsContact O-OG 3.14Å; N243-K247 PolarHBondContact O-N 2.84Å
244	A	97.6	Very high	97.9	Very high	6 Å²	6	46.7 Å²	46.7	5%	0.05	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-38.4	-174.8	0	0	0	0	0	112.5	W238 T239 M241 M242 K247 N248 V249	W238-A244 HydrophobicContact CB-CB 4.35Å; T239-A244 HydrophobicContact CG2-CB 3.67Å; T239-A244 WeakPolarHBondContact O-CB 3.47Å; M241-A244 PolarHBondContact O-N 3.39Å; M241-A244 VanDerWaalsContact O-N 3.17Å; M242-A244 PolarHBondContact O-N 3.36Å; A244-K247 CarbonylContact O-C 3.6Å; A244-K247 PolarHBondContact O-N 2.92Å; A244-N248 PolarHBondContact O-N 3.43Å; A244-V249 HydrophobicContact CB-CB 4.27Å; A244-V249 PolarHBondContact O-N 2.94Å
245	R	98.1	Very high	97.9	Very high	56 Å²	56	46.8 Å²	46.8	21%	0.211	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-45.4	179.6	-164.9	166.9	-177.3	168.8	-0.1	113.2	W238 N243 K247 N248 S273 A275 S278	W238-R245 HydrophobicContact CB-CB 3.75Å; W238-R245 HydrophobicContact CB-CG 4.2Å; W238-R245 HydrophobicContact CD2-CB 4.36Å; W238-R245 HydrophobicContact CD2-CG 3.86Å; W238-R245 HydrophobicContact CE3-CG 4.01Å; W238-R245 HydrophobicContact CG-CB 3.92Å; W238-R245 HydrophobicContact CG-CG 3.97Å; N243-R245 VanDerWaalsContact C-N 3.28Å; N243-R245 PolarHBondContact O-N 2.93Å; R245-K247 PolarHBondContact O-N 3.35Å; R245-N248 PolarHBondContact O-N 3.04Å; R245-N248 VanDerWaalsContact O-N 3.09Å; R245-S273 PolarHBondContact NH2-O 3.12Å; R245-A275 PolarHBondContact NH2-O 2.81Å; R245-S278 PolarHBondContact NH1-O 3.44Å
246	S	96.6	Very high	97.9	Very high	79 Å²	79	46.6 Å²	46.6	55%	0.552	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-22.2	178.9	67.8	0	0	0	0	113.3	N243	N243-S246 PolarHBondContact O-N 3.23Å; N243-S246 PolarHBondContact O-OG 3.14Å; N243-S246 VanDerWaalsContact O-OG 3.14Å
247	K	97.4	Very high	97.9	Very high	107 Å²	107	46.6 Å²	46.6	47%	0.465	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	0.5	174.5	-63.4	170.9	-176.8	165	0	113.2	M242 N243 A244 R245 V249	M242-K247 PolarHBondContact O-NZ 2.8Å; N243-K247 PolarHBondContact O-N 2.84Å; A244-K247 CarbonylContact O-C 3.6Å; A244-K247 PolarHBondContact O-N 2.92Å; R245-K247 PolarHBondContact O-N 3.35Å; K247-V249 HydrophobicContact CB-CG2 3.83Å; K247-V249 PolarHBondContact O-N 3.4Å
248	N	98.3	Very high	97.9	Very high	10 Å²	10	44.7 Å²	44.7	5%	0.053	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.7	41.6	-170.9	-162.3	30.7	0	0	0	113.7	V37 L38 Y233 Y235 W238 A244 R245 G250	V37-N248 WeakPolarHBondContact O-CB 3.48Å; V37-N248 PolarHBondContact O-ND2 3.26Å; V37-N248 VanDerWaalsContact O-ND2 3.14Å; L38-N248 HydrophobicContact CD2-CB 4.08Å; Y233-N248 PolarHBondContact O-ND2 3.06Å; Y235-N248 WeakPolarHBondContact CD2-OD1 3.39Å; Y235-N248 WeakPolarHBondContact CE2-O 3.31Å; W238-N248 PolarHBondContact NE1-OD1 3.08Å; A244-N248 PolarHBondContact O-N 3.43Å; R245-N248 PolarHBondContact O-N 3.04Å; R245-N248 VanDerWaalsContact O-N 3.09Å; N248-G250 PolarHBondContact O-N 3.38Å
249	V	98.3	Very high	97.9	Very high	45 Å²	45	44.9 Å²	44.9	27%	0.273	23%	0.225	S	C	.	.			trans	-92.4	79.4	174	-177	0	0	0	0	108.4	R192 N193 W238 A244 K247	R192-V249 HydrophobicContact CB-CG1 4.11Å; R192-V249 HydrophobicContact CG-CB 4.31Å; R192-V249 HydrophobicContact CG-CG1 4.05Å; R192-V249 HydrophobicContact CG-CG2 4.26Å; N193-V249 WeakPolarHBondContact ND2-CG1 3.34Å; W238-V249 VanDerWaalsContact CD1-C 3.49Å; A244-V249 HydrophobicContact CB-CB 4.27Å; A244-V249 PolarHBondContact O-N 2.94Å; K247-V249 HydrophobicContact CB-CG2 3.83Å; K247-V249 PolarHBondContact O-N 3.4Å
250	G	98.4	Very high	98	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.232	C	C	.	.			trans	-125.3	-174.8	-169.2	0	0	0	0	0	115	L191 R192 Y235 F237 N248	L191-G250 WeakPolarHBondContact CA-O 3.31Å; R192-G250 PolarHBondContact N-O 3.12Å; Y235-G250 VanDerWaalsContact CD2-CA 3.48Å; F237-G250 CarbonylContact O-C 3.51Å; F237-G250 WeakPolarHBondContact O-CA 3.48Å; N248-G250 PolarHBondContact O-N 3.38Å
251	W	98.9	Very high	98	Very high	39 Å²	39	45.5 Å²	45.5	15%	0.148	24%	0.237	C	C	.	.	B	Isolated β-bridge	trans	-137.4	144.9	178.3	-54.3	62.8	0	0	0	108.6	A185 D190 L191 N197 F203 Y235 T236 F237 L253	A185-W251 HydrophobicContact CB-CE3 4.09Å; D190-W251 CarbonylContact O-C 3.54Å; D190-W251 WeakPolarHBondContact O-CA 3.45Å; L191-W251 HydrophobicContact CB-CB 4.34Å; L191-W251 HydrophobicContact CB-CD2 3.92Å; L191-W251 HydrophobicContact CB-CE3 4.04Å; L191-W251 HydrophobicContact CB-CG 4.09Å; L191-W251 HydrophobicContact CD1-CD2 3.99Å; L191-W251 HydrophobicContact CD1-CE3 3.58Å; L191-W251 HydrophobicContact CD1-CH2 3.87Å; L191-W251 HydrophobicContact CD1-CZ2 4.2Å; L191-W251 HydrophobicContact CD1-CZ3 3.55Å; L191-W251 HydrophobicContact CG-CE3 4.47Å; N197-W251 HydrophobicContact CB-CH2 3.5Å; N197-W251 VanDerWaalsContact CB-CH2 3.5Å; N197-W251 HydrophobicContact CB-CZ2 3.9Å; N197-W251 HydrophobicContact CB-CZ3 4.37Å; N197-W251 VanDerWaalsContact CG-CH2 3.41Å; N197-W251 WeakPolarHBondContact OD1-CH2 3.25Å; N197-W251 VanDerWaalsContact OD1-CZ2 3.26Å; N197-W251 WeakPolarHBondContact OD1-CZ2 3.41Å; F203-W251 HydrophobicContact CB-CH2 4.2Å; F203-W251 HydrophobicContact CB-CZ3 3.66Å; Y235-W251 WeakPolarHBondContact CB-O 3.26Å; T236-W251 PolarHBondContact N-O 2.79Å; F237-W251 HydrophobicContact CD1-CB 4.07Å; F237-W251 AromaticContact CD1-CD1 3.74Å; F237-W251 HydrophobicContact CD1-CG 4.04Å; F237-W251 PolarHBondContact N-O 3.44Å; F237-W251 PolarHBondContact O-N 2.94Å; W251-L253 HydrophobicContact CB-CD1 4.32Å; W251-L253 HydrophobicContact CB-CD2 3.91Å; W251-L253 HydrophobicContact CB-CG 3.84Å; W251-L253 HydrophobicContact CE3-CD2 4.25Å
252	R	98.9	Very high	98.1	Very high	3 Å²	3	40.4 Å²	40.4	1%	0.011	21%	0.212	C	C	.	.			trans	-94.9	104.2	167.2	-167.5	175.2	68.3	101.4	-1.2	107.6	D190 D222 T236 Y255	D190-R252 HydrophobicContact CB-CB 4.22Å; D190-R252 PolarHBondContact O-N 2.74Å; D190-R252 IonicContact OD1-CZ 2.68Å; D190-R252 VanDerWaalsContact OD1-CZ 3.24Å; D190-R252 IonicContact OD1-NE 3.04Å; D190-R252 PolarHBondContact OD1-NE 3.47Å; D190-R252 IonicContact OD1-NH2 2.94Å; D190-R252 PolarHBondContact OD1-NH2 3.36Å; D190-R252 IonicContact OD2-NH2 3.85Å; D222-R252 IonicContact OD1-CZ 3.97Å; D222-R252 IonicContact OD1-NH1 3.25Å; D222-R252 PolarHBondContact OD1-NH1 3.25Å; D222-R252 IonicContact OD1-NH2 3.34Å; D222-R252 IonicContact OD2-CZ 3.77Å; D222-R252 VanDerWaalsContact OD2-CZ 3.25Å; D222-R252 IonicContact OD2-NH1 2.86Å; D222-R252 PolarHBondContact OD2-NH1 3.3Å; D222-R252 IonicContact OD2-NH2 3.81Å; D222-R252 PolarHBondContact OD2-NH2 3.26Å; T236-R252 HydrophobicContact CG2-CG 4.06Å; R252-Y255 VanDerWaalsContact NH1-CD1 3.28Å; R252-Y255 VanDerWaalsContact NH2-CE1 3.34Å; R252-Y255 PolarHBondContact O-OH 3.17Å
253	L	98.8	Very high	98.2	Very high	11 Å²	11	34.4 Å²	34.4	6%	0.058	18%	0.184	C	C	.	.			trans	-114	-17.2	-178.2	-56.9	-177.7	0	0	0	112.1	D181 L182 A185 T236 F237 W251 Y255	D181-L253 WeakPolarHBondContact CA-O 3.46Å; L182-L253 PolarHBondContact N-O 2.81Å; A185-L253 HydrophobicContact CB-CD2 4.36Å; T236-L253 PolarHBondContact OG1-N 3.4Å; F237-L253 HydrophobicContact CB-CD1 3.78Å; F237-L253 HydrophobicContact CB-CG 4.1Å; F237-L253 HydrophobicContact CD1-CD1 3.75Å; F237-L253 HydrophobicContact CE1-CD1 4.5Å; F237-L253 HydrophobicContact CG-CD1 3.79Å; W251-L253 HydrophobicContact CB-CD1 4.32Å; W251-L253 HydrophobicContact CB-CD2 3.91Å; W251-L253 HydrophobicContact CB-CG 3.84Å; W251-L253 HydrophobicContact CE3-CD2 4.25Å; L253-Y255 WeakPolarHBondContact O-CD2 3.46Å; L253-Y255 VanDerWaalsContact O-CE2 3.22Å; L253-Y255 WeakPolarHBondContact O-CE2 3.09Å
254	D	98.9	Very high	98.4	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132	-177.2	-52.5	-101.4	0	0	0	109.9	G180 D181 T236 H280 I283	G180-D254 WeakPolarHBondContact O-CA 3.29Å; D181-D254 WeakPolarHBondContact CB-OD1 3.44Å; T236-D254 WeakPolarHBondContact CB-OD2 3.2Å; T236-D254 HydrophobicContact CG2-CB 4.06Å; T236-D254 PolarHBondContact OG1-N 3.02Å; T236-D254 VanDerWaalsContact OG1-N 3.1Å; T236-D254 PolarHBondContact OG1-OD2 3.34Å; D254-H280 IonicContact OD1-ND1 3.95Å; D254-H280 IonicContact OD2-CE1 2.76Å; D254-H280 IonicContact OD2-CG 2.84Å; D254-H280 IonicContact OD2-ND1 2.92Å; D254-H280 PolarHBondContact OD2-ND1 3.27Å; D254-I283 HydrophobicContact CB-CD1 3.78Å; D254-I283 HydrophobicContact CB-CG1 4.22Å; D254-I283 HydrophobicContact CB-CG2 4.19Å
255	Y	98.9	Very high	98.4	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155	-171.2	-64.7	-98.2	0	0	0	112.7	C179 G180 L182 V184 H186 F211 D222 R252 L253 L257 I283	C179-Y255 WeakPolarHBondContact CA-O 3.38Å; C179-Y255 WeakPolarHBondContact CB-O 3.35Å; G180-Y255 PolarHBondContact N-O 3.05Å; G180-Y255 PolarHBondContact O-N 3.47Å; L182-Y255 HydrophobicContact CB-CD2 3.88Å; L182-Y255 HydrophobicContact CB-CE2 4.3Å; L182-Y255 HydrophobicContact CD1-CD2 3.82Å; L182-Y255 HydrophobicContact CD1-CG 3.95Å; L182-Y255 HydrophobicContact CG-CD2 3.89Å; L182-Y255 HydrophobicContact CG-CG 4.43Å; V184-Y255 VanDerWaalsContact O-CE2 3.23Å; V184-Y255 WeakPolarHBondContact O-CE2 3.5Å; V184-Y255 PolarHBondContact O-OH 2.74Å; H186-Y255 PolarHBondContact N-OH 3.41Å; F211-Y255 HydrophobicContact CE1-CE1 4.33Å; F211-Y255 HydrophobicContact CE2-CD1 4.17Å; F211-Y255 HydrophobicContact CE2-CD2 4.22Å; F211-Y255 HydrophobicContact CE2-CE1 4.05Å; F211-Y255 HydrophobicContact CE2-CE2 4.14Å; F211-Y255 HydrophobicContact CE2-CG 4.26Å; F211-Y255 AromaticContact CZ-CD1 3.67Å; F211-Y255 HydrophobicContact CZ-CD1 3.67Å; F211-Y255 AromaticContact CZ-CE1 3.5Å; F211-Y255 HydrophobicContact CZ-CE1 3.5Å; F211-Y255 VanDerWaalsContact CZ-CE1 3.5Å; F211-Y255 HydrophobicContact CZ-CE2 4.42Å; F211-Y255 HydrophobicContact CZ-CG 4.19Å; F211-Y255 AromaticContact CZ-CZ 3.95Å; D222-Y255 WeakPolarHBondContact OD2-CD1 3.21Å; D222-Y255 WeakPolarHBondContact OD2-CE1 3.47Å; R252-Y255 VanDerWaalsContact NH1-CD1 3.28Å; R252-Y255 VanDerWaalsContact NH2-CE1 3.34Å; R252-Y255 PolarHBondContact O-OH 3.17Å; L253-Y255 WeakPolarHBondContact O-CD2 3.46Å; L253-Y255 VanDerWaalsContact O-CE2 3.22Å; L253-Y255 WeakPolarHBondContact O-CE2 3.09Å; Y255-L257 HydrophobicContact CD1-CD2 4.07Å; Y255-L257 HydrophobicContact CG-CD2 4.36Å; Y255-I283 VanDerWaalsContact C-CD1 3.41Å; Y255-I283 WeakPolarHBondContact O-CD1 3.11Å
256	F	98.9	Very high	98.5	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	120.8	149.9	-75.5	-81.4	0	0	0	107.7	I58 V177 L178 C179 S223 I283 L285	I58-F256 HydrophobicContact CB-CE1 3.9Å; I58-F256 HydrophobicContact CB-CZ 4.12Å; I58-F256 HydrophobicContact CG2-CE1 3.63Å; I58-F256 HydrophobicContact CG2-CZ 3.95Å; I58-F256 WeakPolarHBondContact O-CZ 3.43Å; V177-F256 HydrophobicContact CG1-CD1 4Å; L178-F256 CarbonylContact O-C 3.53Å; L178-F256 WeakPolarHBondContact O-CA 3.47Å; C179-F256 HydrophobicContact CB-CD1 3.3Å; C179-F256 HydrophobicContact CB-CE1 3.32Å; C179-F256 HydrophobicContact CB-CG 4.1Å; C179-F256 HydrophobicContact CB-CZ 4.14Å; S223-F256 PolarHBondContact N-O 3.03Å; S223-F256 VanDerWaalsContact OG-CB 3.28Å; S223-F256 WeakPolarHBondContact OG-CB 3.44Å; S223-F256 PolarHBondContact OG-O 3.36Å; F256-I283 HydrophobicContact CD2-CB 4.4Å; F256-I283 HydrophobicContact CD2-CD1 3.64Å; F256-I283 HydrophobicContact CD2-CG1 4.05Å; F256-I283 HydrophobicContact CE2-CB 4.04Å; F256-I283 HydrophobicContact CE2-CD1 3.69Å; F256-I283 HydrophobicContact CE2-CG1 3.6Å; F256-I283 HydrophobicContact CG-CD1 4.47Å; F256-I283 HydrophobicContact CZ-CG1 4.41Å; F256-L285 HydrophobicContact CB-CD1 4.03Å; F256-L285 HydrophobicContact CB-CD2 4.36Å; F256-L285 HydrophobicContact CD1-CB 3.79Å; F256-L285 HydrophobicContact CD1-CD2 3.78Å; F256-L285 HydrophobicContact CD1-CG 4.27Å; F256-L285 HydrophobicContact CD2-CB 3.78Å; F256-L285 HydrophobicContact CD2-CD1 4.45Å; F256-L285 HydrophobicContact CE1-CB 3.8Å; F256-L285 HydrophobicContact CE1-CD2 4.31Å; F256-L285 HydrophobicContact CE2-CB 3.77Å; F256-L285 HydrophobicContact CG-CB 3.8Å; F256-L285 HydrophobicContact CG-CD1 4.15Å; F256-L285 HydrophobicContact CG-CD2 4.14Å; F256-L285 HydrophobicContact CG-CG 4.26Å; F256-L285 HydrophobicContact CZ-CB 3.79Å
257	L	98.8	Very high	98.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	127.1	176.3	-53.5	-174.8	0	0	0	108.7	L178 L182 F211 M214 L215 L220 A221 D222 Y255	L178-L257 HydrophobicContact CB-CB 4.24Å; L178-L257 HydrophobicContact CD2-CD1 4.05Å; L178-L257 PolarHBondContact N-O 3.14Å; L178-L257 PolarHBondContact O-N 3.1Å; L182-L257 HydrophobicContact CD1-CD1 3.6Å; L182-L257 HydrophobicContact CD1-CG 4.13Å; F211-L257 HydrophobicContact CE2-CD1 4.11Å; F211-L257 HydrophobicContact CZ-CD1 4.1Å; F211-L257 HydrophobicContact CZ-CD2 3.97Å; M214-L257 HydrophobicContact CE-CD1 3.36Å; L215-L257 HydrophobicContact CD2-CD1 3.83Å; L215-L257 HydrophobicContact CD2-CD2 3.98Å; L215-L257 HydrophobicContact CD2-CG 4.39Å; L220-L257 HydrophobicContact CB-CB 4.22Å; L220-L257 HydrophobicContact CD1-CB 4.17Å; A221-L257 CarbonylContact O-C 3.5Å; A221-L257 WeakPolarHBondContact O-CA 3.43Å; D222-L257 HydrophobicContact CB-CD2 3.91Å; Y255-L257 HydrophobicContact CD1-CD2 4.07Å; Y255-L257 HydrophobicContact CG-CD2 4.36Å
258	L	98.8	Very high	98.7	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	139.9	-169.7	-51.8	179.6	0	0	0	111	V177 L220 A221 H260 L262 L266 L285 L287	V177-L258 HydrophobicContact CB-CD2 4.2Å; V177-L258 HydrophobicContact CG1-CD2 3.83Å; V177-L258 HydrophobicContact CG2-CD2 3.79Å; L220-L258 CarbonylContact C-O 3.59Å; L220-L258 VanDerWaalsContact CA-O 3.28Å; L220-L258 WeakPolarHBondContact CA-O 3.23Å; L220-L258 VanDerWaalsContact CD2-C 3.45Å; A221-L258 PolarHBondContact N-O 3.4Å; A221-L258 PolarHBondContact O-N 3.3Å; L258-H260 PolarHBondContact O-N 3.36Å; L258-L262 HydrophobicContact CB-CB 4.37Å; L258-L266 HydrophobicContact CD1-CB 4.38Å; L258-L266 HydrophobicContact CD1-CD1 3.99Å; L258-L266 HydrophobicContact CD1-CD2 4.13Å; L258-L266 HydrophobicContact CD1-CG 4.4Å; L258-L285 HydrophobicContact CD1-CD1 4.36Å; L258-L285 HydrophobicContact CD2-CD2 3.73Å; L258-L287 HydrophobicContact CD1-CD2 4.35Å
259	S	98.6	Very high	98.7	Very high	10 Å²	10	22.7 Å²	22.7	7%	0.07	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	141.5	161.4	-70.4	0	0	0	0	110	L176 S261 L262	L176-S259 WeakPolarHBondContact CB-OG 3.47Å; L176-S259 PolarHBondContact N-OG 3.34Å; L176-S259 PolarHBondContact O-N 2.93Å; S259-S261 PolarHBondContact O-N 3.14Å; S259-S261 VanDerWaalsContact O-N 3.07Å; S259-L262 WeakPolarHBondContact O-CB 3.38Å; S259-L262 PolarHBondContact O-N 3.37Å
260	H	98.2	Very high	98.7	Very high	100 Å²	100	20.5 Å²	20.5	46%	0.463	12%	0.118	S	C	.	.	G	3₁₀ helix	trans	-56.2	-31	-177.7	-75.6	61.6	0	0	0	113.1	P219 L258 L262 L263	P219-H260 PolarHBondContact O-CE1 2.87Å; P219-H260 PolarHBondContact O-ND1 3.3Å; L258-H260 PolarHBondContact O-N 3.36Å; H260-L262 PolarHBondContact O-N 3.49Å; H260-L263 HydrophobicContact CB-CD1 4.41Å; H260-L263 WeakPolarHBondContact O-CB 3.39Å; H260-L263 WeakPolarHBondContact O-CG 3.46Å; H260-L263 PolarHBondContact O-N 3.33Å; H260-L263 VanDerWaalsContact O-N 3.12Å
261	S	97.9	Very high	98.7	Very high	82 Å²	82	20.7 Å²	20.7	57%	0.573	12%	0.119	S	C	*	.	G	3₁₀ helix	trans	-63.5	-17.2	175.9	61.7	0	0	0	0	114.3	S259	S259-S261 PolarHBondContact O-N 3.14Å; S259-S261 VanDerWaalsContact O-N 3.07Å
262	L	98.6	Very high	98.7	Very high	21 Å²	21	20.7 Å²	20.7	11%	0.11	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-92.3	-10.5	177	-64.3	175.7	0	0	0	113	P175 V177 L258 S259 H260 P264 A265 L266 L289	P175-L262 HydrophobicContact CB-CD1 3.94Å; P175-L262 HydrophobicContact CB-CD2 3.88Å; P175-L262 HydrophobicContact CB-CG 3.77Å; V177-L262 HydrophobicContact CG2-CD1 3.63Å; L258-L262 HydrophobicContact CB-CB 4.37Å; S259-L262 WeakPolarHBondContact O-CB 3.38Å; S259-L262 PolarHBondContact O-N 3.37Å; H260-L262 PolarHBondContact O-N 3.49Å; L262-P264 VanDerWaalsContact C-CD 3.49Å; L262-P264 VanDerWaalsContact C-N 3.35Å; L262-A265 WeakPolarHBondContact O-CA 3.45Å; L262-A265 WeakPolarHBondContact O-CB 3.37Å; L262-A265 PolarHBondContact O-N 3.14Å; L262-L266 PolarHBondContact O-N 2.94Å; L262-L266 VanDerWaalsContact O-N 3.15Å; L262-L289 HydrophobicContact CD2-CD2 4.02Å
263	L	98.7	Very high	98.7	Very high	34 Å²	34	21.7 Å²	21.7	18%	0.178	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-57.3	-39.6	179.3	-67.8	174.9	0	0	0	113.3	A221 H260 A265 L266	A221-L263 HydrophobicContact CB-CD1 4.14Å; A221-L263 HydrophobicContact CB-CD2 3.85Å; A221-L263 HydrophobicContact CB-CG 4.37Å; H260-L263 HydrophobicContact CB-CD1 4.41Å; H260-L263 WeakPolarHBondContact O-CB 3.39Å; H260-L263 WeakPolarHBondContact O-CG 3.46Å; H260-L263 PolarHBondContact O-N 3.33Å; H260-L263 VanDerWaalsContact O-N 3.12Å; L263-A265 PolarHBondContact O-N 3.36Å; L263-L266 HydrophobicContact CD2-CD2 4.36Å; L263-L266 WeakPolarHBondContact O-CB 3.25Å; L263-L266 PolarHBondContact O-N 2.98Å; L263-L266 VanDerWaalsContact O-N 3.1Å
264	P	98.6	Very high	98.7	Very high	91 Å²	91	28.6 Å²	28.6	59%	0.591	16%	0.156	S	C	*	.	G	3₁₀ helix	trans	-63.7	-23.3	174.8	-23.7	35.8	0	0	0	114.3	L262	L262-P264 VanDerWaalsContact C-CD 3.49Å; L262-P264 VanDerWaalsContact C-N 3.35Å
265	A	98.7	Very high	98.6	Very high	15 Å²	15	28.7 Å²	28.7	12%	0.124	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-89.6	-11	177	0	0	0	0	0	112.7	L262 L263 C267 L287 A288 L289	L262-A265 WeakPolarHBondContact O-CA 3.45Å; L262-A265 WeakPolarHBondContact O-CB 3.37Å; L262-A265 PolarHBondContact O-N 3.14Å; L263-A265 PolarHBondContact O-N 3.36Å; A265-C267 PolarHBondContact O-N 3.38Å; A265-L287 CarbonylContact O-C 3.5Å; A265-L287 WeakPolarHBondContact O-CA 3.21Å; A265-A288 WeakPolarHBondContact CB-O 3.38Å; A265-A288 PolarHBondContact O-N 3.17Å; A265-L289 HydrophobicContact CB-CD2 4.06Å
266	L	98.9	Very high	98.6	Very high	8 Å²	8	34.3 Å²	34.3	4%	0.042	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	117.9	179.1	179.3	59.1	0	0	0	110.3	L227 L258 L262 L263 L285 L287	L227-L266 HydrophobicContact CD1-CD1 4.34Å; L227-L266 HydrophobicContact CD1-CD2 3.89Å; L227-L266 HydrophobicContact CD1-CG 4.03Å; L227-L266 HydrophobicContact CD2-CD2 4.13Å; L227-L266 HydrophobicContact CD2-CG 4.43Å; L227-L266 HydrophobicContact CG-CD2 3.87Å; L227-L266 HydrophobicContact CG-CG 4.41Å; L258-L266 HydrophobicContact CD1-CB 4.38Å; L258-L266 HydrophobicContact CD1-CD1 3.99Å; L258-L266 HydrophobicContact CD1-CD2 4.13Å; L258-L266 HydrophobicContact CD1-CG 4.4Å; L262-L266 PolarHBondContact O-N 2.94Å; L262-L266 VanDerWaalsContact O-N 3.15Å; L263-L266 HydrophobicContact CD2-CD2 4.36Å; L263-L266 WeakPolarHBondContact O-CB 3.25Å; L263-L266 PolarHBondContact O-N 2.98Å; L263-L266 VanDerWaalsContact O-N 3.1Å; L266-L285 HydrophobicContact CD1-CD1 3.57Å; L266-L287 HydrophobicContact CB-CD2 4.33Å; L266-L287 HydrophobicContact CD1-CD2 4.14Å
267	C	98.9	Very high	98.5	Very high	6 Å²	6	34.6 Å²	34.6	4%	0.041	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-53.1	172.1	-54.9	0	0	0	0	110.3	Q45 S48 A54 A265 Y286	Q45-C267 WeakPolarHBondContact CG-O 3.31Å; Q45-C267 CarbonylContact O-C 3.52Å; Q45-C267 VanDerWaalsContact O-CB 3.28Å; Q45-C267 WeakPolarHBondContact O-CB 2.99Å; S48-C267 PolarHBondContact N-SG 3.31Å; A54-C267 HydrophobicContact CB-CB 4.4Å; A265-C267 PolarHBondContact O-N 3.38Å; C267-Y286 WeakPolarHBondContact CB-O 3.43Å; C267-Y286 PolarHBondContact N-O 3.22Å
268	D	98.9	Very high	98.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	162.6	179.8	-150.5	-18.6	0	0	0	112.4	Q45 Y228 K270 Y286	Q45-D268 HydrophobicContact CB-CB 4.02Å; Q45-D268 PolarHBondContact N-OD2 3.42Å; Q45-D268 VanDerWaalsContact O-CB 3.27Å; Q45-D268 WeakPolarHBondContact O-CB 3.48Å; Y228-D268 PolarHBondContact OH-OD1 3.13Å; D268-K270 HydrophobicContact CB-CD 3.86Å; D268-K270 WeakPolarHBondContact OD1-CD 3.36Å; D268-K270 IonicContact OD1-NZ 3.43Å; D268-K270 PolarHBondContact OD1-NZ 3.24Å; D268-K270 WeakPolarHBondContact OD2-CD 3.48Å; D268-K270 WeakPolarHBondContact OD2-CE 3.32Å; D268-K270 IonicContact OD2-NZ 3.68Å; D268-K270 PolarHBondContact OD2-NZ 2.9Å; D268-Y286 HydrophobicContact CB-CD2 4.26Å; D268-Y286 PolarHBondContact N-O 3.23Å; D268-Y286 PolarHBondContact O-N 3.35Å
269	S	98.9	Very high	98.5	Very high	4 Å²	4	36 Å²	36	3%	0.028	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	108.4	175.9	-175.1	0	0	0	0	108.6	S223 F224 T284	S223-S269 WeakPolarHBondContact OG-CB 3.3Å; S223-S269 PolarHBondContact OG-OG 2.83Å; F224-S269 VanDerWaalsContact CD2-O 3.31Å; F224-S269 WeakPolarHBondContact CD2-O 3.15Å; F224-S269 PolarHBondContact N-OG 2.7Å; S269-T284 CarbonylContact C-O 3.44Å; S269-T284 WeakPolarHBondContact CA-O 3.36Å
270	K	98.9	Very high	98.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	154.8	-167.1	-47.3	-49.5	-56.6	173.4	0	112.9	D41 P42 P43 D44 Y228 D268 I283 T284 Y286	D41-K270 IonicContact OD1-NZ 2.74Å; D41-K270 WeakPolarHBondContact OD2-CA 3.21Å; D41-K270 WeakPolarHBondContact OD2-CB 2.89Å; D41-K270 WeakPolarHBondContact OD2-CE 3.37Å; D41-K270 IonicContact OD2-NZ 2.85Å; P42-K270 VanDerWaalsContact O-CE 3.24Å; P42-K270 WeakPolarHBondContact O-CE 3.34Å; P42-K270 PolarHBondContact O-NZ 2.79Å; P43-K270 PolarHBondContact O-NZ 3.22Å; D44-K270 WeakPolarHBondContact OD1-CE 3.27Å; Y228-K270 PolarHBondContact OH-NZ 3.43Å; D268-K270 HydrophobicContact CB-CD 3.86Å; D268-K270 WeakPolarHBondContact OD1-CD 3.36Å; D268-K270 IonicContact OD1-NZ 3.43Å; D268-K270 PolarHBondContact OD1-NZ 3.24Å; D268-K270 WeakPolarHBondContact OD2-CD 3.48Å; D268-K270 WeakPolarHBondContact OD2-CE 3.32Å; D268-K270 IonicContact OD2-NZ 3.68Å; D268-K270 PolarHBondContact OD2-NZ 2.9Å; K270-I283 VanDerWaalsContact O-CA 3.25Å; K270-I283 WeakPolarHBondContact O-CA 3.4Å; K270-I283 WeakPolarHBondContact O-CB 3.42Å; K270-T284 PolarHBondContact N-O 3.14Å; K270-T284 PolarHBondContact O-N 3.42Å; K270-T284 VanDerWaalsContact O-N 3.09Å; K270-Y286 HydrophobicContact CG-CD2 4.28Å; K270-Y286 HydrophobicContact CG-CE2 3.99Å
271	I	98.9	Very high	98.6	Very high	4 Å²	4	31 Å²	31	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	109.5	170.3	-65.3	178.4	0	0	0	108.1	Y39 D41 F224 A234 Y235 T236 S273 I283	Y39-I271 HydrophobicContact CE1-CB 4.19Å; Y39-I271 HydrophobicContact CE1-CG2 4.23Å; D41-I271 WeakPolarHBondContact CB-O 3.49Å; D41-I271 PolarHBondContact OD2-N 2.88Å; D41-I271 VanDerWaalsContact OD2-O 3.11Å; F224-I271 HydrophobicContact CD2-CD1 3.88Å; F224-I271 HydrophobicContact CD2-CG1 3.97Å; F224-I271 HydrophobicContact CE1-CD1 4.21Å; F224-I271 HydrophobicContact CE2-CD1 3.51Å; F224-I271 HydrophobicContact CE2-CG1 3.79Å; F224-I271 HydrophobicContact CG-CD1 4.39Å; F224-I271 HydrophobicContact CZ-CD1 3.7Å; F224-I271 HydrophobicContact CZ-CG1 4.47Å; A234-I271 HydrophobicContact CB-CD1 3.96Å; Y235-I271 WeakPolarHBondContact O-CG2 3.45Å; T236-I271 HydrophobicContact CG2-CD1 4.12Å; T236-I271 HydrophobicContact CG2-CG1 4.13Å; T236-I271 HydrophobicContact CG2-CG2 4.17Å; I271-S273 PolarHBondContact O-N 3.23Å; I271-I283 HydrophobicContact CG1-CG2 4.21Å
272	R	98.8	Very high	98.6	Very high	38 Å²	38	27.1 Å²	27.1	14%	0.143	15%	0.146	C	C	.	.			trans	-84.4	58.9	-173.5	-55	-60.7	-163.2	-163.8	6.8	111.4	D44 W77 E81 K274 A275 C281 P282 Y286	D44-R272 IonicContact OD1-CZ 2.8Å; D44-R272 IonicContact OD1-NH1 3.8Å; D44-R272 PolarHBondContact OD1-NH1 2.81Å; D44-R272 IonicContact OD1-NH2 2.76Å; D44-R272 PolarHBondContact OD1-NH2 3.02Å; D44-R272 IonicContact OD2-CZ 3.24Å; D44-R272 IonicContact OD2-NH1 3.45Å; D44-R272 IonicContact OD2-NH2 3.59Å; D44-R272 PolarHBondContact OD2-NH2 3.01Å; W77-R272 HydrophobicContact CH2-CB 4.11Å; W77-R272 HydrophobicContact CH2-CG 3.73Å; W77-R272 HydrophobicContact CZ2-CB 3.67Å; W77-R272 HydrophobicContact CZ2-CG 3.57Å; E81-R272 IonicContact OE1-CZ 3.52Å; E81-R272 IonicContact OE1-NE 2.69Å; E81-R272 PolarHBondContact OE1-NE 2.65Å; E81-R272 IonicContact OE1-NH2 3.54Å; E81-R272 PolarHBondContact OE1-NH2 3.2Å; E81-R272 IonicContact OE2-CZ 2.78Å; E81-R272 IonicContact OE2-NE 2.8Å; E81-R272 IonicContact OE2-NH2 3.99Å; E81-R272 PolarHBondContact OE2-NH2 3.2Å; R272-K274 PolarHBondContact O-N 3.09Å; R272-A275 HydrophobicContact CB-CB 4.34Å; R272-A275 WeakPolarHBondContact O-CB 3.33Å; R272-A275 PolarHBondContact O-N 3.21Å; R272-C281 WeakPolarHBondContact O-CB 3.25Å; R272-P282 HydrophobicContact CB-CB 4.3Å; R272-P282 HydrophobicContact CB-CG 3.73Å; R272-P282 VanDerWaalsContact CB-O 3.29Å; R272-P282 WeakPolarHBondContact CB-O 3.34Å; R272-P282 HydrophobicContact CG-CB 4.42Å; R272-P282 HydrophobicContact CG-CG 4.28Å; R272-P282 PolarHBondContact N-O 2.99Å; R272-Y286 PolarHBondContact NH2-OH 3.28Å
273	S	98.1	Very high	98.6	Very high	24 Å²	24	26.3 Å²	26.3	17%	0.168	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.9	-168.1	62.5	0	0	0	0	115.1	R245 I271	R245-S273 PolarHBondContact NH2-O 3.12Å; I271-S273 PolarHBondContact O-N 3.23Å
274	K	98.1	Very high	98.6	Very high	157 Å²	157	24.7 Å²	24.7	68%	0.683	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78	-18.6	-179.8	-60.4	177.9	-174.3	170.5	0	113.6	E40 R272 L276	E40-K274 IonicContact OE1-NZ 2.65Å; E40-K274 PolarHBondContact OE1-NZ 2.87Å; R272-K274 PolarHBondContact O-N 3.09Å; K274-L276 PolarHBondContact O-N 2.88Å
275	A	98.4	Very high	98.7	Very high	5 Å²	5	20.4 Å²	20.4	4%	0.041	11%	0.105	C	C	.	.			trans	-74.5	118.7	-177.4	0	0	0	0	0	111.7	W61 W77 R245 R272 P282	W61-A275 HydrophobicContact CH2-CB 4.23Å; W61-A275 HydrophobicContact CZ2-CB 4.45Å; W77-A275 HydrophobicContact CD2-CB 3.92Å; W77-A275 HydrophobicContact CG-CB 4.03Å; W77-A275 HydrophobicContact CZ2-CB 4.15Å; R245-A275 PolarHBondContact NH2-O 2.81Å; R272-A275 HydrophobicContact CB-CB 4.34Å; R272-A275 WeakPolarHBondContact O-CB 3.33Å; R272-A275 PolarHBondContact O-N 3.21Å; A275-P282 HydrophobicContact CB-CG 3.71Å
276	L	98.4	Very high	98.7	Very high	119 Å²	119	20.2 Å²	20.2	62%	0.623	10%	0.101	S	C	*	.			trans	-93.1	171.4	-179.1	-57.7	179.6	0	0	0	111.4	W61 K274	W61-L276 VanDerWaalsContact CH2-O 3.27Å; W61-L276 WeakPolarHBondContact CH2-O 3.38Å; W61-L276 WeakPolarHBondContact CZ2-O 3.22Å; K274-L276 PolarHBondContact O-N 2.88Å
277	G	97.6	Very high	98.7	Very high	8 Å²	8	19.9 Å²	19.9	8%	0.082	10%	0.1	C	C	.	.	S	Bend	trans	131.8	-29.3	175.9	0	0	0	0	0	113.3	K72	K72-G277 WeakPolarHBondContact CD-O 3.32Å; K72-G277 PolarHBondContact NZ-O 3.43Å
278	S	98.6	Very high	98.7	Very high	3 Å²	3	20 Å²	20	2%	0.021	10%	0.101	C	C	.	.	S	Bend	trans	-135.4	166	179.6	173.3	0	0	0	0	109.9	N62 R245 H280	N62-S278 VanDerWaalsContact O-CB 3.3Å; N62-S278 WeakPolarHBondContact O-CB 3.5Å; N62-S278 PolarHBondContact O-OG 3.05Å; R245-S278 PolarHBondContact NH1-O 3.44Å; S278-H280 CarbonylContact C-O 3.56Å; S278-H280 WeakPolarHBondContact CB-O 3.42Å; S278-H280 PolarHBondContact O-N 3.23Å; S278-H280 PolarHBondContact OG-N 3.34Å
279	D	98.4	Very high	98.5	Very high	25 Å²	25	26.3 Å²	26.3	13%	0.134	13%	0.134	C	C	.	.	S	Bend	trans	-69	-14.3	163.6	46.2	-1.4	0	0	0	111.9	D64 F237 W238 Y240	D64-D279 WeakPolarHBondContact CB-OD1 3.49Å; F237-D279 WeakPolarHBondContact CA-O 3.48Å; F237-D279 HydrophobicContact CD2-CB 4.21Å; F237-D279 HydrophobicContact CE2-CB 4.03Å; W238-D279 PolarHBondContact N-O 3.32Å; W238-D279 VanDerWaalsContact O-CB 3.32Å; W238-D279 WeakPolarHBondContact O-CB 3.34Å; Y240-D279 HydrophobicContact CD1-CB 4.29Å; Y240-D279 HydrophobicContact CD2-CB 3.94Å; Y240-D279 HydrophobicContact CE1-CB 3.94Å; Y240-D279 HydrophobicContact CE2-CB 3.55Å; Y240-D279 HydrophobicContact CG-CB 4.31Å; Y240-D279 PolarHBondContact OH-N 3.03Å
280	H	98.8	Very high	98.5	Very high	6 Å²	6	27.4 Å²	27.4	3%	0.028	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-95.8	152.8	163.6	-62.5	-114.5	0	0	0	112.7	W61 N62 D181 T236 F237 D254 S278	W61-H280 PolarHBondContact NE1-O 3.15Å; N62-H280 HydrophobicContact CB-CB 4Å; N62-H280 PolarHBondContact ND2-NE2 2.95Å; N62-H280 WeakPolarHBondContact O-CB 3.33Å; D181-H280 IonicContact OD2-CE1 3.17Å; D181-H280 PolarHBondContact OD2-CE1 3.02Å; D181-H280 IonicContact OD2-ND1 3.46Å; D181-H280 IonicContact OD2-NE2 2.74Å; T236-H280 CarbonylContact O-C 3.51Å; T236-H280 WeakPolarHBondContact O-CA 3.5Å; F237-H280 AromaticContact CD2-CD2 3.63Å; F237-H280 AromaticContact CD2-CE1 3.77Å; F237-H280 AromaticContact CD2-NE2 3.29Å; F237-H280 VanDerWaalsContact CD2-NE2 3.29Å; F237-H280 WeakPolarHBondContact CD2-NE2 3.36Å; F237-H280 AromaticContact CE2-NE2 3.99Å; D254-H280 IonicContact OD1-ND1 3.95Å; D254-H280 IonicContact OD2-CE1 2.76Å; D254-H280 IonicContact OD2-CG 2.84Å; D254-H280 IonicContact OD2-ND1 2.92Å; D254-H280 PolarHBondContact OD2-ND1 3.27Å; S278-H280 CarbonylContact C-O 3.56Å; S278-H280 WeakPolarHBondContact CB-O 3.42Å; S278-H280 PolarHBondContact O-N 3.23Å; S278-H280 PolarHBondContact OG-N 3.34Å
281	C	98.8	Very high	98.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.147	C	C	.	.	P	Polyproline II helix	trans	-102.9	155.1	163.3	75.6	0	0	0	0	110.8	T236 W238 R272	T236-C281 PolarHBondContact O-N 3.49Å; W238-C281 HydrophobicContact CH2-CB 4.45Å; W238-C281 HydrophobicContact CZ3-CB 3.98Å; R272-C281 WeakPolarHBondContact O-CB 3.25Å
282	P	98.9	Very high	98.5	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-66.7	151.9	175.4	15	-9.4	0	0	0	111.3	S60 W61 W77 R272 A275	S60-P282 WeakPolarHBondContact O-CA 3.46Å; W61-P282 HydrophobicContact CB-CB 4.13Å; W61-P282 HydrophobicContact CD2-CB 3.73Å; W61-P282 HydrophobicContact CD2-CG 3.68Å; W61-P282 VanDerWaalsContact CE2-CD 3.49Å; W61-P282 HydrophobicContact CE3-CB 3.89Å; W61-P282 HydrophobicContact CE3-CG 3.7Å; W61-P282 HydrophobicContact CG-CB 3.86Å; W61-P282 HydrophobicContact CG-CG 4.28Å; W61-P282 HydrophobicContact CH2-CG 4.01Å; W61-P282 HydrophobicContact CZ2-CG 4Å; W61-P282 HydrophobicContact CZ3-CG 3.87Å; W77-P282 HydrophobicContact CD2-CG 4.18Å; W77-P282 HydrophobicContact CE3-CB 4.48Å; W77-P282 HydrophobicContact CE3-CG 3.83Å; W77-P282 HydrophobicContact CH2-CB 3.64Å; W77-P282 HydrophobicContact CH2-CG 3.32Å; W77-P282 HydrophobicContact CZ2-CB 4.46Å; W77-P282 HydrophobicContact CZ2-CG 3.72Å; W77-P282 HydrophobicContact CZ3-CB 3.64Å; W77-P282 HydrophobicContact CZ3-CG 3.38Å; R272-P282 HydrophobicContact CB-CB 4.3Å; R272-P282 HydrophobicContact CB-CG 3.73Å; R272-P282 VanDerWaalsContact CB-O 3.29Å; R272-P282 WeakPolarHBondContact CB-O 3.34Å; R272-P282 HydrophobicContact CG-CB 4.42Å; R272-P282 HydrophobicContact CG-CG 4.28Å; R272-P282 PolarHBondContact N-O 2.99Å; A275-P282 HydrophobicContact CB-CG 3.71Å
283	I	98.9	Very high	98.4	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.026	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	146.8	166.9	55.4	168.7	0	0	0	109.2	C59 S60 T236 D254 Y255 F256 K270 I271	C59-I283 CarbonylContact C-O 3.55Å; C59-I283 WeakPolarHBondContact CA-O 3.46Å; S60-I283 PolarHBondContact N-O 3.17Å; S60-I283 WeakPolarHBondContact O-CG1 3.26Å; S60-I283 PolarHBondContact O-N 3.37Å; T236-I283 HydrophobicContact CG2-CG2 3.53Å; D254-I283 HydrophobicContact CB-CD1 3.78Å; D254-I283 HydrophobicContact CB-CG1 4.22Å; D254-I283 HydrophobicContact CB-CG2 4.19Å; Y255-I283 VanDerWaalsContact C-CD1 3.41Å; Y255-I283 WeakPolarHBondContact O-CD1 3.11Å; F256-I283 HydrophobicContact CD2-CB 4.4Å; F256-I283 HydrophobicContact CD2-CD1 3.64Å; F256-I283 HydrophobicContact CD2-CG1 4.05Å; F256-I283 HydrophobicContact CE2-CB 4.04Å; F256-I283 HydrophobicContact CE2-CD1 3.69Å; F256-I283 HydrophobicContact CE2-CG1 3.6Å; F256-I283 HydrophobicContact CG-CD1 4.47Å; F256-I283 HydrophobicContact CZ-CG1 4.41Å; K270-I283 VanDerWaalsContact O-CA 3.25Å; K270-I283 WeakPolarHBondContact O-CA 3.4Å; K270-I283 WeakPolarHBondContact O-CB 3.42Å; I271-I283 HydrophobicContact CG1-CG2 4.21Å
284	T	98.9	Very high	98.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	131.6	-176.3	-61.9	0	0	0	0	111.4	K57 I58 E81 S269 K270 Y286	K57-T284 HydrophobicContact CD-CG2 4.28Å; K57-T284 VanDerWaalsContact CE-CG2 3.46Å; K57-T284 HydrophobicContact CG-CG2 3.79Å; I58-T284 CarbonylContact O-C 3.53Å; I58-T284 VanDerWaalsContact O-CA 3.29Å; I58-T284 WeakPolarHBondContact O-CA 3.3Å; E81-T284 WeakPolarHBondContact OE1-CB 3.07Å; E81-T284 VanDerWaalsContact OE1-CG2 3.27Å; E81-T284 WeakPolarHBondContact OE1-CG2 3.31Å; E81-T284 PolarHBondContact OE1-OG1 3.03Å; S269-T284 CarbonylContact C-O 3.44Å; S269-T284 WeakPolarHBondContact CA-O 3.36Å; K270-T284 PolarHBondContact N-O 3.14Å; K270-T284 PolarHBondContact O-N 3.42Å; K270-T284 VanDerWaalsContact O-N 3.09Å; T284-Y286 HydrophobicContact CG2-CD2 4.25Å; T284-Y286 HydrophobicContact CG2-CE2 3.8Å
285	L	98.9	Very high	98.5	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	137.8	175.3	-170.8	72.9	0	0	0	110.6	K57 I58 V177 F256 L258 L266 L287	K57-L285 WeakPolarHBondContact CA-O 3.31Å; I58-L285 HydrophobicContact CB-CB 4.36Å; I58-L285 HydrophobicContact CD1-CD2 4.41Å; I58-L285 PolarHBondContact N-O 2.92Å; I58-L285 PolarHBondContact O-N 3.4Å; V177-L285 HydrophobicContact CG1-CD2 4.01Å; F256-L285 HydrophobicContact CB-CD1 4.03Å; F256-L285 HydrophobicContact CB-CD2 4.36Å; F256-L285 HydrophobicContact CD1-CB 3.79Å; F256-L285 HydrophobicContact CD1-CD2 3.78Å; F256-L285 HydrophobicContact CD1-CG 4.27Å; F256-L285 HydrophobicContact CD2-CB 3.78Å; F256-L285 HydrophobicContact CD2-CD1 4.45Å; F256-L285 HydrophobicContact CE1-CB 3.8Å; F256-L285 HydrophobicContact CE1-CD2 4.31Å; F256-L285 HydrophobicContact CE2-CB 3.77Å; F256-L285 HydrophobicContact CG-CB 3.8Å; F256-L285 HydrophobicContact CG-CD1 4.15Å; F256-L285 HydrophobicContact CG-CD2 4.14Å; F256-L285 HydrophobicContact CG-CG 4.26Å; F256-L285 HydrophobicContact CZ-CB 3.79Å; L258-L285 HydrophobicContact CD1-CD1 4.36Å; L258-L285 HydrophobicContact CD2-CD2 3.73Å; L266-L285 HydrophobicContact CD1-CD1 3.57Å; L285-L287 HydrophobicContact CD2-CD1 3.83Å; L285-L287 HydrophobicContact CD2-CD2 4.13Å; L285-L287 HydrophobicContact CD2-CG 3.82Å; L285-L287 HydrophobicContact CG-CD2 4.28Å; L285-L287 HydrophobicContact CG-CG 4.09Å
286	Y	98.9	Very high	98.5	Very high	10 Å²	10	22.9 Å²	22.9	4%	0.039	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	124.7	169.7	-69.1	-83.4	0	0	0	110.4	D44 K46 A54 K57 C267 D268 K270 R272 T284	D44-Y286 HydrophobicContact CB-CE2 4.19Å; D44-Y286 WeakPolarHBondContact OD2-CE2 3.41Å; D44-Y286 VanDerWaalsContact OD2-CZ 3.3Å; D44-Y286 PolarHBondContact OD2-OH 3.2Å; K46-Y286 HydrophobicContact CD-CE1 4.48Å; K46-Y286 HydrophobicContact CG-CD1 4.47Å; K46-Y286 HydrophobicContact CG-CE1 4.31Å; A54-Y286 HydrophobicContact CB-CD1 4.09Å; K57-Y286 HydrophobicContact CB-CD1 4.24Å; K57-Y286 HydrophobicContact CB-CE1 4.14Å; K57-Y286 HydrophobicContact CD-CD1 4.48Å; K57-Y286 HydrophobicContact CD-CE1 3.6Å; K57-Y286 WeakPolarHBondContact CE-OH 3.21Å; K57-Y286 HydrophobicContact CG-CD1 4.12Å; K57-Y286 HydrophobicContact CG-CE1 3.7Å; K57-Y286 PolarHBondContact NZ-OH 2.79Å; C267-Y286 WeakPolarHBondContact CB-O 3.43Å; C267-Y286 PolarHBondContact N-O 3.22Å; D268-Y286 HydrophobicContact CB-CD2 4.26Å; D268-Y286 PolarHBondContact N-O 3.23Å; D268-Y286 PolarHBondContact O-N 3.35Å; K270-Y286 HydrophobicContact CG-CD2 4.28Å; K270-Y286 HydrophobicContact CG-CE2 3.99Å; R272-Y286 PolarHBondContact NH2-OH 3.28Å; T284-Y286 HydrophobicContact CG2-CD2 4.25Å; T284-Y286 HydrophobicContact CG2-CE2 3.8Å
287	L	98.8	Very high	98.5	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.01	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	139.5	177	-64.1	178.9	0	0	0	111.3	A54 T55 L56 V177 L258 A265 L266 L285 L289	A54-L287 CarbonylContact C-O 3.51Å; A54-L287 WeakPolarHBondContact CA-O 3.13Å; T55-L287 PolarHBondContact N-O 3.26Å; L56-L287 HydrophobicContact CB-CB 4.44Å; L56-L287 PolarHBondContact N-O 3.33Å; L56-L287 PolarHBondContact O-N 2.62Å; V177-L287 HydrophobicContact CG2-CD1 4.16Å; L258-L287 HydrophobicContact CD1-CD2 4.35Å; A265-L287 CarbonylContact O-C 3.5Å; A265-L287 WeakPolarHBondContact O-CA 3.21Å; L266-L287 HydrophobicContact CB-CD2 4.33Å; L266-L287 HydrophobicContact CD1-CD2 4.14Å; L285-L287 HydrophobicContact CD2-CD1 3.83Å; L285-L287 HydrophobicContact CD2-CD2 4.13Å; L285-L287 HydrophobicContact CD2-CG 3.82Å; L285-L287 HydrophobicContact CG-CD2 4.28Å; L285-L287 HydrophobicContact CG-CG 4.09Å; L287-L289 HydrophobicContact CB-CD2 4.17Å; L287-L289 HydrophobicContact CB-CG 3.94Å; L287-L289 HydrophobicContact CD1-CD1 4.45Å; L287-L289 HydrophobicContact CD1-CD2 4.26Å; L287-L289 HydrophobicContact CD1-CG 4.46Å
288	A	98.6	Very high	98.6	Very high	7 Å²	7	16.1 Å²	16.1	6%	0.058	9%	0.085	C	C	.	.			trans	-98.8	77.5	169.5	0	0	0	0	0	110	K52 S53 A265	K52-A288 HydrophobicContact CB-CB 3.81Å; S53-A288 WeakPolarHBondContact O-CB 3.38Å; A265-A288 WeakPolarHBondContact CB-O 3.38Å; A265-A288 PolarHBondContact O-N 3.17Å
289	L	96.2	Very high	98.6	Very high	134 Å²	134	17.3 Å²	17.3	70%	0.702	9%	0.091	S	C	*	.			trans	-83.3	0	177.8	-58.6	-177.8	0	0	0	112	T55 L56 L262 A265 L287	T55-L289 PolarHBondContact OG1-N 2.79Å; T55-L289 PolarHBondContact OG1-O 2.77Å; L56-L289 HydrophobicContact CB-CD1 4.31Å; L56-L289 HydrophobicContact CD2-CD1 3.6Å; L262-L289 HydrophobicContact CD2-CD2 4.02Å; A265-L289 HydrophobicContact CB-CD2 4.06Å; L287-L289 HydrophobicContact CB-CD2 4.17Å; L287-L289 HydrophobicContact CB-CG 3.94Å; L287-L289 HydrophobicContact CD1-CD1 4.45Å; L287-L289 HydrophobicContact CD1-CD2 4.26Å; L287-L289 HydrophobicContact CD1-CG 4.46Å

Retrieved 289 of 289 residues in 55 ms (Link to these results)

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