A0A093HT53_STRCA Loading...

Dermatan-sulfate epimerase

AlphaFold DB , UniProt , Accession A0A093HT53, Species STRCA (Struthio camelus australis), Gene n/a, Length 960 aa.

						>A0A093HT53_STRCA|A0A093HT53
MRTHTRGAPSVFFIHVICVAFAYSTREDPSAMIPFVNANYDSYPMLYFSKGDVEGLRLKAATTHQHIAAHLTEAVQTMVSNPLEYLPPWDPKEFSARWNEIYGNNLGALAMFCVLYPENIEAINMAKDYMERMAAQPSWLVKDAPWDEVPLAHSLVGFATAYDFLYSYLSKTQQERFLEVIANASGYMYETSYRRGWGFQYLHNHQPTNCVALLAGSLVLMNQGYLQEAYLWTKQVLAIMEKAIVLLQEVTDGSLYEGVAYGSYTTRSLFQYMFLVQRHFDINHFGHPWLKQHFAFMYRTVLPGFQRTVAIADSNYNWFYGPESQLVFLDKFVMRNGSGNWLAEQIRRHRVVEGPGTPSKGQRWCTLHTEFLWYDASLHSVPPPDYGVPKLHYFEDWGVVTYGSALPAEINRPFLSFKSGKLGGRAIYDIVHKNKYKEWIKGWRNFNAGHEHPDQNSFTFAPNGVPFITEALYGPKYTFFNNVLMFSPAVSKSCFSPWEGQITEDCSSKWLKYKHDLAGDCQGRVVAAMERSGVVFIRGEGVGAYNPKLKLRKLQRNLVLLHPQLLLLVDQIHLEDDSPLEAATSFFHNVDVPFEETVVDEVHGAFIRHRDGIYKMYWMDDTGHSEKATIASRMYPRGYPYNGTNYVNVTTLLRHPITRVIYLFIGPSIDVQSFTVRGDPRQLDVFVTTGEHAYAVYLWTVEDGPRSAFVQVVADRQKIVFDRASAIRTSAVPEVKDYVGIVERNLQHFKPVFQQLEKQILSRVRNTASFRKTAERLLRFSDKRQTEEAIDRIFAISQRQQQQQHGRAKKNRKVAKGYKFVDAVPDIFAQIEVNERKVRQKAQTQAQKELPVDEEEEMKDLLDFADITYVKHKTGVSIKGRSGLAQMVTTARSSAPSISASYTRLFLILNIAIFFVMLAMQLTYFQKAKRLHGQRCLYAILLVDSCILLWLYSSCSQSQC
					

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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	M	30.3	Very low	30.3	Very low	237 Å²	237	147.5 Å²	147.5	100%	1.167	81%	0.805	S	S	*	*				0	103.5	0	-74	178.2	-100.4	0	0	106.8
2	R	27.1	Very low	30.4	Very low	236 Å²	236	149.9 Å²	149.9	89%	0.891	80%	0.803	S	S	*	*				54.4	129.2	100.2	-76.8	-165.7	173.7	173.3	-2.3	112
3	T	30.5	Very low	30.5	Very low	114 Å²	114	149.9 Å²	149.9	70%	0.699	79%	0.792	S	S	*	*			cis	-172.5	143.9	6.6	11.2	0	0	0	0	108.5
4	H	30.1	Very low	30.9	Very low	177 Å²	177	146.6 Å²	146.6	82%	0.819	77%	0.773	S	S	*	*			trans	40.7	119.8	147.4	-70.6	-65.1	0	0	0	123.9
5	T	30	Very low	30.9	Very low	139 Å²	139	145.7 Å²	145.7	85%	0.853	76%	0.763	S	S	*	*			trans	-130	114.6	141.6	47.2	0	0	0	0	109.7
6	R	31.1	Very low	31	Very low	254 Å²	254	142.6 Å²	142.6	96%	0.958	75%	0.751	S	S	*	*			trans	-168.4	117.5	155.2	-106.6	-178.5	-172.9	-173.5	2.1	108.9
7	G	27.6	Very low	31.1	Very low	77 Å²	77	139.5 Å²	139.5	79%	0.794	73%	0.734	S	S	*	*			trans	172.3	60.2	178.4	0	0	0	0	0	114.3
8	A	31.2	Very low	31.1	Very low	92 Å²	92	136.2 Å²	136.2	76%	0.76	72%	0.723	S	S	*	*			trans	-156.4	81.7	162.8	0	0	0	0	0	109.3
9	P	31.4	Very low	31.1	Very low	109 Å²	109	134.1 Å²	134.1	71%	0.708	72%	0.716	S	S	*	*	S	Bend		-141	12.4	124.1	23.1	-1.5	0	0	0	114.9
10	S	32	Very low	31	Very low	81 Å²	81	130.6 Å²	130.6	57%	0.566	71%	0.707	S	S	*	*	S	Bend	trans	-87.8	-15.4	-172.1	-46.8	0	0	0	0	115.3	I14	S10-I14 WeakPolarHBondContact O-CG1 3.31Å
11	V	31.9	Very low	31	Very low	106 Å²	106	131.6 Å²	131.6	64%	0.642	71%	0.705	S	S	*	*	H	α-helix	trans	-90	-27.7	-171	-176.3	0	0	0	0	112.8
12	F	31.6	Very low	30.9	Very low	177 Å²	177	122.8 Å²	122.8	78%	0.776	67%	0.67	S	S	*	*	H	α-helix	trans	-77.8	-26.2	178	-102.4	-88.4	0	0	0	113.7	V16	F12-V16 WeakPolarHBondContact O-CG2 3.4Å; F12-V16 PolarHBondContact O-N 3.28Å
13	F	31.6	Very low	31.3	Very low	150 Å²	150	121.1 Å²	121.1	66%	0.658	67%	0.665	S	S	*	*	H	α-helix	trans	-77.4	-29.9	176.5	-103.6	-87.3	0	0	0	113.2	I17	F13-I17 HydrophobicContact CD1-CD1 4.18Å; F13-I17 WeakPolarHBondContact O-CB 3.47Å; F13-I17 VanDerWaalsContact O-CG1 3.24Å; F13-I17 WeakPolarHBondContact O-CG1 3.39Å; F13-I17 PolarHBondContact O-N 3.09Å
14	I	36.2	Very low	31.4	Very low	104 Å²	104	118.6 Å²	118.6	53%	0.533	65%	0.652	S	S	.	*	H	α-helix	trans	-73.7	-35.8	-179.8	-65	173.3	0	0	0	110.9	S10 C18	S10-I14 WeakPolarHBondContact O-CG1 3.31Å; I14-C18 VanDerWaalsContact O-CB 3.31Å; I14-C18 WeakPolarHBondContact O-CB 3.4Å; I14-C18 PolarHBondContact O-N 3.34Å; I14-C18 PolarHBondContact O-SG 3.38Å
15	H	31	Very low	32	Very low	133 Å²	133	114.3 Å²	114.3	62%	0.616	64%	0.638	S	S	*	*	H	α-helix	trans	-73.5	-34.1	175.4	-82.5	11.5	0	0	0	113.6	V19	H15-V19 WeakPolarHBondContact O-CB 3.41Å; H15-V19 WeakPolarHBondContact O-CG2 3.24Å; H15-V19 PolarHBondContact O-N 3.39Å
16	V	32.7	Very low	32.5	Very low	95 Å²	95	117.1 Å²	117.1	58%	0.576	63%	0.633	S	S	*	*	H	α-helix	trans	-72.3	-34	175.3	176.7	0	0	0	0	111.4	F12 A20	F12-V16 WeakPolarHBondContact O-CG2 3.4Å; F12-V16 PolarHBondContact O-N 3.28Å; V16-A20 WeakPolarHBondContact O-CB 3.38Å; V16-A20 PolarHBondContact O-N 3.06Å
17	I	32.9	Very low	33.3	Very low	91 Å²	91	109 Å²	109	47%	0.467	61%	0.606	S	S	.	*	H	α-helix	trans	-73.7	-37.7	174.7	-67.4	171.2	0	0	0	111.4	F13 A20 F21	F13-I17 HydrophobicContact CD1-CD1 4.18Å; F13-I17 WeakPolarHBondContact O-CB 3.47Å; F13-I17 VanDerWaalsContact O-CG1 3.24Å; F13-I17 WeakPolarHBondContact O-CG1 3.39Å; F13-I17 PolarHBondContact O-N 3.09Å; I17-A20 PolarHBondContact O-N 3.43Å; I17-F21 HydrophobicContact CG2-CD2 3.97Å; I17-F21 HydrophobicContact CG2-CE2 4.27Å; I17-F21 WeakPolarHBondContact O-CB 3.4Å; I17-F21 WeakPolarHBondContact O-CD2 3.16Å; I17-F21 PolarHBondContact O-N 2.92Å
18	C	30.7	Very low	34.2	Very low	79 Å²	79	107.9 Å²	107.9	53%	0.534	58%	0.582	S	S	.	*	H	α-helix	trans	-69	-33.1	174.5	-71.9	0	0	0	0	113.2	I14 A22	I14-C18 VanDerWaalsContact O-CB 3.31Å; I14-C18 WeakPolarHBondContact O-CB 3.4Å; I14-C18 PolarHBondContact O-N 3.34Å; I14-C18 PolarHBondContact O-SG 3.38Å; C18-A22 PolarHBondContact O-N 3.09Å
19	V	31.4	Very low	35	Very low	97 Å²	97	109.5 Å²	109.5	59%	0.588	59%	0.585	S	S	*	*	H	α-helix	trans	-80	-30.1	176	175.3	0	0	0	0	111.7	H15 A22	H15-V19 WeakPolarHBondContact O-CB 3.41Å; H15-V19 WeakPolarHBondContact O-CG2 3.24Å; H15-V19 PolarHBondContact O-N 3.39Å; V19-A22 PolarHBondContact O-N 3.39Å
20	A	29.3	Very low	35.9	Very low	64 Å²	64	108 Å²	108	53%	0.529	58%	0.576	S	S	.	*	H	α-helix	trans	-72.8	-32	173.4	0	0	0	0	0	113	V16 I17	V16-A20 WeakPolarHBondContact O-CB 3.38Å; V16-A20 PolarHBondContact O-N 3.06Å; I17-A20 PolarHBondContact O-N 3.43Å
21	F	29.4	Very low	36.9	Very low	151 Å²	151	105 Å²	105	66%	0.662	56%	0.557	S	S	*	*	H	α-helix	trans	-78.3	-15.2	172.4	-93.8	-84.1	0	0	0	114.1	I17 Y23 S24	I17-F21 HydrophobicContact CG2-CD2 3.97Å; I17-F21 HydrophobicContact CG2-CE2 4.27Å; I17-F21 WeakPolarHBondContact O-CB 3.4Å; I17-F21 WeakPolarHBondContact O-CD2 3.16Å; I17-F21 PolarHBondContact O-N 2.92Å; F21-Y23 PolarHBondContact O-N 3.1Å; F21-S24 PolarHBondContact O-N 3.31Å; F21-S24 PolarHBondContact O-OG 3.44Å
22	A	29.5	Very low	38.8	Very low	53 Å²	53	105.2 Å²	105.2	44%	0.438	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75.2	-6.1	175.2	0	0	0	0	0	114	C18 V19	C18-A22 PolarHBondContact O-N 3.09Å; V19-A22 PolarHBondContact O-N 3.39Å
23	Y	34.4	Very low	41.5	Very low	201 Å²	201	97.1 Å²	97.1	79%	0.788	52%	0.517	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	13.4	174.7	-91	-79.3	0	0	0	113.7	F21	F21-Y23 PolarHBondContact O-N 3.1Å
24	S	34	Very low	44	Very low	61 Å²	61	94 Å²	94	43%	0.427	51%	0.512	S	S	.	.	S	Bend	trans	-91.6	138.4	166.3	-40.9	0	0	0	0	108.6	F21 R26	F21-S24 PolarHBondContact O-N 3.31Å; F21-S24 PolarHBondContact O-OG 3.44Å; S24-R26 PolarHBondContact O-N 3.17Å
25	T	42.6	Very low	46.6	Very low	86 Å²	86	92.3 Å²	92.3	53%	0.528	50%	0.501	S	S	.	.			trans	-17.8	111.8	179.4	42.3	0	0	0	0	114.8	E27	T25-E27 PolarHBondContact O-N 3.18Å
26	R	40.8	Very low	49	Very low	198 Å²	198	88.6 Å²	88.6	75%	0.747	49%	0.487	S	S	*	.			trans	-76.8	66.6	174.6	-74.9	-177.6	176.2	179.8	-2.7	110.2	S24	S24-R26 PolarHBondContact O-N 3.17Å
27	E	47.3	Very low	51.2	Low	85 Å²	85	88.4 Å²	88.4	40%	0.397	48%	0.483	S	S	.	.			trans	-73.5	133.4	161.3	-66.5	172.3	-158.3	0	0	107	T25 P29 N283	T25-E27 PolarHBondContact O-N 3.18Å; E27-P29 WeakPolarHBondContact O-CD 3.35Å; E27-N283 HydrophobicContact CB-CB 4.2Å; E27-N283 HydrophobicContact CG-CB 4.07Å
28	D	45.8	Very low	53.4	Low	52 Å²	52	84.6 Å²	84.6	28%	0.278	47%	0.465	S	S	.	.			trans	-91.8	98.8	172.4	-171.6	-12.6	0	0	0	108.1	S30 A31 N283	D28-S30 VanDerWaalsContact CG-OG 3.24Å; D28-S30 PolarHBondContact O-N 3.06Å; D28-S30 VanDerWaalsContact OD1-CB 3.24Å; D28-S30 WeakPolarHBondContact OD1-CB 3.21Å; D28-S30 PolarHBondContact OD1-N 3.26Å; D28-S30 PolarHBondContact OD1-OG 3.3Å; D28-S30 PolarHBondContact OD2-OG 3.2Å; D28-A31 PolarHBondContact O-N 2.93Å; D28-N283 PolarHBondContact O-ND2 3.13Å
29	P	49.4	Very low	55.8	Low	127 Å²	127	84.6 Å²	84.6	83%	0.825	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-3	179.4	28.3	-35.5	0	0	0	113	E27	E27-P29 WeakPolarHBondContact O-CD 3.35Å
30	S	48.7	Very low	58.2	Low	76 Å²	76	81.3 Å²	81.3	53%	0.531	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-5.2	176.5	79.2	0	0	0	0	114.4	D28 M32	D28-S30 VanDerWaalsContact CG-OG 3.24Å; D28-S30 PolarHBondContact O-N 3.06Å; D28-S30 VanDerWaalsContact OD1-CB 3.24Å; D28-S30 WeakPolarHBondContact OD1-CB 3.21Å; D28-S30 PolarHBondContact OD1-N 3.26Å; D28-S30 PolarHBondContact OD1-OG 3.3Å; D28-S30 PolarHBondContact OD2-OG 3.2Å; S30-M32 PolarHBondContact O-N 3.22Å
31	A	54.8	Low	60.9	Low	18 Å²	18	81.4 Å²	81.4	15%	0.149	43%	0.428	C	S	.	.			trans	-59	120.7	175.2	0	0	0	0	0	110.1	D28 I33 F285	D28-A31 PolarHBondContact O-N 2.93Å; A31-I33 PolarHBondContact O-N 3.04Å; A31-F285 HydrophobicContact CB-CB 3.88Å; A31-F285 HydrophobicContact CB-CD2 3.94Å; A31-F285 HydrophobicContact CB-CG 3.92Å
32	M	71.5	Confident	63.7	Low	111 Å²	111	76.2 Å²	76.2	55%	0.547	41%	0.411	S	S	.	.	S	Bend	trans	-70.7	22.6	-171	-61.3	-168.9	84.1	0	0	115.1	S30 P34 R335	S30-M32 PolarHBondContact O-N 3.22Å; M32-P34 VanDerWaalsContact O-CD 3.27Å; M32-P34 WeakPolarHBondContact O-CD 3.15Å; M32-R335 PolarHBondContact SD-NH1 3.44Å; M32-R335 PolarHBondContact SD-NH2 3.38Å
33	I	86.9	Confident	66.8	Low	7 Å²	7	74.5 Å²	74.5	4%	0.036	39%	0.393	C	S	.	.			trans	-101	101.8	178.3	-56.3	172.7	0	0	0	107.9	A31 F35 F274 Q277 R278 F285 F332	A31-I33 PolarHBondContact O-N 3.04Å; I33-F35 PolarHBondContact O-N 3.33Å; I33-F274 HydrophobicContact CD1-CD2 3.44Å; I33-F274 VanDerWaalsContact CD1-CD2 3.44Å; I33-F274 HydrophobicContact CD1-CE2 3.89Å; I33-F274 HydrophobicContact CD1-CG 4.24Å; I33-F274 HydrophobicContact CG1-CD2 4.1Å; I33-F274 HydrophobicContact CG1-CE2 4.03Å; I33-F274 HydrophobicContact CG2-CE2 4.26Å; I33-Q277 HydrophobicContact CB-CG 3.9Å; I33-Q277 HydrophobicContact CG2-CB 4.37Å; I33-Q277 HydrophobicContact CG2-CG 3.88Å; I33-R278 HydrophobicContact CG2-CB 3.98Å; I33-F285 HydrophobicContact CD1-CE1 3.83Å; I33-F285 HydrophobicContact CD1-CE2 3.62Å; I33-F285 HydrophobicContact CD1-CZ 3.17Å; I33-F332 HydrophobicContact CD1-CD1 3.83Å; I33-F332 HydrophobicContact CD1-CE1 3.67Å; I33-F332 HydrophobicContact CD1-CE2 4.4Å; I33-F332 HydrophobicContact CD1-CG 4.27Å; I33-F332 HydrophobicContact CD1-CZ 3.96Å; I33-F332 HydrophobicContact CG1-CD1 3.68Å; I33-F332 HydrophobicContact CG1-CE1 3.27Å; I33-F332 HydrophobicContact CG1-CZ 3.89Å
34	P	85.4	Confident	69.8	Low	85 Å²	85	65.4 Å²	65.4	55%	0.552	36%	0.359	S	S	*	.			trans	-66.1	134.5	176.5	27.9	-33.4	0	0	0	109.7	M32 V36	M32-P34 VanDerWaalsContact O-CD 3.27Å; M32-P34 WeakPolarHBondContact O-CD 3.15Å; P34-V36 PolarHBondContact O-N 2.92Å
35	F	89.4	Confident	72.8	Confident	69 Å²	69	63.3 Å²	63.3	30%	0.303	34%	0.343	S	S	.	.			trans	-63.1	124.1	160.8	167.9	-118.5	0	0	0	108.7	I33 N37 R278 H279 D281 V752	I33-F35 PolarHBondContact O-N 3.33Å; F35-N37 VanDerWaalsContact CE1-OD1 3.27Å; F35-N37 WeakPolarHBondContact CE1-OD1 3.48Å; F35-R278 WeakPolarHBondContact CD2-O 3.39Å; F35-H279 WeakPolarHBondContact CE2-O 3.16Å; F35-D281 HydrophobicContact CB-CB 3.98Å; F35-D281 HydrophobicContact CD1-CB 4.33Å; F35-D281 HydrophobicContact CD2-CB 3.8Å; F35-D281 HydrophobicContact CE2-CB 4.39Å; F35-D281 HydrophobicContact CG-CB 3.77Å; F35-V752 HydrophobicContact CE2-CG2 4.08Å; F35-V752 HydrophobicContact CZ-CG2 4Å
36	V	81.3	Confident	75.5	Confident	54 Å²	54	59.3 Å²	59.3	33%	0.327	32%	0.318	S	S	.	.			trans	-108.9	114.8	-179.9	-178.4	0	0	0	0	108.3	P34 A38 R278	P34-V36 PolarHBondContact O-N 2.92Å; V36-A38 PolarHBondContact O-N 3.27Å; V36-R278 HydrophobicContact CG2-CG 4.39Å; V36-R278 PolarHBondContact N-O 3.31Å
37	N	79.6	Confident	78.2	Confident	91 Å²	91	50.3 Å²	50.3	49%	0.487	28%	0.284	S	S	.	.			trans	-54.8	129.3	172.3	-78.7	-43.5	0	0	0	110.1	F35 N39 Q755	F35-N37 VanDerWaalsContact CE1-OD1 3.27Å; F35-N37 WeakPolarHBondContact CE1-OD1 3.48Å; N37-N39 PolarHBondContact O-N 3.47Å; N37-Q755 PolarHBondContact OD1-OE1 2.65Å
38	A	78.9	Confident	80.6	Confident	11 Å²	11	46.6 Å²	46.6	9%	0.091	27%	0.267	C	S	.	.			trans	-62.4	138.6	-179.5	0	0	0	0	0	111.2	V36 V752 L756 Q759	V36-A38 PolarHBondContact O-N 3.27Å; A38-V752 HydrophobicContact CB-CG1 3.66Å; A38-L756 HydrophobicContact CB-CD1 3.72Å; A38-L756 HydrophobicContact CB-CD2 3.68Å; A38-L756 HydrophobicContact CB-CG 3.64Å; A38-Q759 PolarHBondContact O-NE2 2.85Å; A38-Q759 PolarHBondContact O-OE1 2.98Å
39	N	81.7	Confident	83	Confident	79 Å²	79	46 Å²	46	42%	0.422	27%	0.266	S	S	.	.			trans	-128	112.4	-179.9	-177	14.8	0	0	0	109.6	N37 D41 S42 N222 R763	N37-N39 PolarHBondContact O-N 3.47Å; N39-D41 PolarHBondContact O-N 3.5Å; N39-S42 WeakPolarHBondContact O-CB 3.35Å; N39-S42 PolarHBondContact O-N 2.96Å; N39-N222 PolarHBondContact O-OD1 3.43Å; N39-N222 VanDerWaalsContact O-OD1 3.07Å; N39-R763 PolarHBondContact OD1-NH2 2.87Å
40	Y	82.5	Confident	85.2	Confident	29 Å²	29	47.1 Å²	47.1	11%	0.114	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	129.9	-175.2	173.1	-117	0	0	0	112.7	N222 Q223 I760 R763	Y40-N222 WeakPolarHBondContact CD2-O 3.49Å; Y40-Q223 WeakPolarHBondContact CE2-O 3.5Å; Y40-I760 HydrophobicContact CD1-CG1 3.86Å; Y40-I760 HydrophobicContact CD2-CD1 3.8Å; Y40-I760 HydrophobicContact CD2-CG1 3.52Å; Y40-I760 HydrophobicContact CE1-CG1 4.18Å; Y40-I760 HydrophobicContact CE2-CD1 4.02Å; Y40-I760 HydrophobicContact CE2-CG1 3.84Å; Y40-I760 HydrophobicContact CG-CD1 4.3Å; Y40-I760 HydrophobicContact CG-CG1 3.53Å; Y40-R763 VanDerWaalsContact CD1-NH1 3.27Å; Y40-R763 PolarHBondContact O-NH1 3.06Å; Y40-R763 PolarHBondContact O-NH2 3.42Å
41	D	84.6	Confident	87.4	Confident	65 Å²	65	46.8 Å²	46.8	35%	0.348	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.7	39.8	176.2	-159.5	38.2	0	0	0	113.6	N39 Y166 N222 Q223	N39-D41 PolarHBondContact O-N 3.5Å; D41-Y166 PolarHBondContact OD1-OH 3.28Å; D41-N222 PolarHBondContact N-O 3.01Å; D41-Q223 PolarHBondContact OD1-NE2 3.23Å
42	S	89.1	Confident	89.3	Confident	42 Å²	42	49.3 Å²	49.3	29%	0.294	28%	0.278	S	S	.	.			trans	-113.5	125	175.9	-163.1	0	0	0	0	111	N39 N222	N39-S42 WeakPolarHBondContact O-CB 3.35Å; N39-S42 PolarHBondContact O-N 2.96Å; S42-N222 PolarHBondContact O-ND2 3.31Å
43	Y	94.1	Very high	90.6	Very high	17 Å²	17	44.7 Å²	44.7	7%	0.067	26%	0.256	C	S	.	.	S	Bend	trans	-133.8	149.9	179.7	-72.6	-81.9	0	0	0	112.2	Y162 D163 Y166 N222 Q223	Y43-Y162 HydrophobicContact CE1-CD1 4.41Å; Y43-Y162 HydrophobicContact CE1-CE1 4.23Å; Y43-Y162 AromaticContact CZ-CE1 3.97Å; Y43-D163 HydrophobicContact CD1-CB 4.4Å; Y43-D163 WeakPolarHBondContact CD1-OD1 3.33Å; Y43-Y166 HydrophobicContact CD1-CD2 4.34Å; Y43-Y166 HydrophobicContact CD1-CG 4.18Å; Y43-Y166 AromaticContact CD2-CD1 3.36Å; Y43-Y166 HydrophobicContact CD2-CD1 3.36Å; Y43-Y166 AromaticContact CD2-CD2 3.61Å; Y43-Y166 HydrophobicContact CD2-CD2 3.61Å; Y43-Y166 AromaticContact CD2-CE1 3.58Å; Y43-Y166 HydrophobicContact CD2-CE1 3.58Å; Y43-Y166 AromaticContact CD2-CE2 3.8Å; Y43-Y166 HydrophobicContact CD2-CE2 3.8Å; Y43-Y166 AromaticContact CD2-CG 3.38Å; Y43-Y166 HydrophobicContact CD2-CG 3.38Å; Y43-Y166 AromaticContact CD2-CZ 3.79Å; Y43-Y166 HydrophobicContact CE1-CD2 4.32Å; Y43-Y166 HydrophobicContact CE2-CD1 4.04Å; Y43-Y166 AromaticContact CE2-CD2 3.52Å; Y43-Y166 HydrophobicContact CE2-CD2 3.52Å; Y43-Y166 AromaticContact CE2-CE1 3.97Å; Y43-Y166 HydrophobicContact CE2-CE1 3.97Å; Y43-Y166 AromaticContact CE2-CE2 3.41Å; Y43-Y166 HydrophobicContact CE2-CE2 3.41Å; Y43-Y166 VanDerWaalsContact CE2-CE2 3.41Å; Y43-Y166 AromaticContact CE2-CG 3.83Å; Y43-Y166 HydrophobicContact CE2-CG 3.83Å; Y43-Y166 AromaticContact CE2-CZ 3.66Å; Y43-Y166 AromaticContact CG-CD1 3.81Å; Y43-Y166 HydrophobicContact CG-CD1 3.81Å; Y43-Y166 HydrophobicContact CG-CD2 4Å; Y43-Y166 HydrophobicContact CG-CE1 4.47Å; Y43-Y166 AromaticContact CG-CG 3.55Å; Y43-Y166 HydrophobicContact CG-CG 3.55Å; Y43-Y166 AromaticContact CZ-CD2 3.91Å; Y43-N222 WeakPolarHBondContact CE1-ND2 3.35Å; Y43-N222 WeakPolarHBondContact CE2-ND2 3.43Å; Y43-N222 VanDerWaalsContact CZ-ND2 3.28Å; Y43-Q223 WeakPolarHBondContact OH-CG 3.25Å; Y43-Q223 PolarHBondContact OH-NE2 2.86Å
44	P	97.6	Very high	91.1	Very high	10 Å²	10	50.3 Å²	50.3	7%	0.065	28%	0.282	C	S	.	.	S	Bend	cis	-67.6	160.7	-10.1	-22.8	37.7	0	0	0	112	F48 S49 D163 F164	P44-F48 CarbonylContact C-O 3.57Å; P44-F48 HydrophobicContact CB-CD2 4.11Å; P44-F48 HydrophobicContact CB-CE2 3.75Å; P44-F48 HydrophobicContact CB-CZ 4.32Å; P44-F48 HydrophobicContact CG-CD2 4.41Å; P44-F48 HydrophobicContact CG-CE2 3.75Å; P44-F48 HydrophobicContact CG-CZ 4.45Å; P44-F48 VanDerWaalsContact O-O 3.07Å; P44-S49 WeakPolarHBondContact O-CA 3.39Å; P44-D163 WeakPolarHBondContact CB-OD2 3.28Å; P44-F164 HydrophobicContact CB-CD1 4.47Å
45	M	97.6	Very high	91.7	Very high	18 Å²	18	48 Å²	48	9%	0.089	27%	0.274	C	S	.	.			trans	-140.7	-22.9	177.7	66.3	76.6	-151.5	0	0	115.3	Y47 F48 D163 L218 V219 N222 R278 H279	M45-Y47 PolarHBondContact O-N 3.46Å; M45-F48 CarbonylContact C-O 3.42Å; M45-F48 VanDerWaalsContact CA-O 3.29Å; M45-F48 WeakPolarHBondContact CA-O 3.36Å; M45-F48 PolarHBondContact N-O 3.11Å; M45-D163 WeakPolarHBondContact CG-OD1 3.15Å; M45-D163 PolarHBondContact N-OD1 2.92Å; M45-D163 PolarHBondContact N-OD2 3Å; M45-L218 HydrophobicContact CE-CB 4.11Å; M45-V219 HydrophobicContact CE-CG2 3.99Å; M45-N222 HydrophobicContact CE-CB 4.34Å; M45-N222 HydrophobicContact CG-CB 4.25Å; M45-N222 HydrophobicContact SD-CB 4.48Å; M45-R278 PolarHBondContact O-NE 2.62Å; M45-H279 PolarHBondContact O-CE1 2.65Å; M45-H279 PolarHBondContact O-NE2 2.97Å; M45-H279 VanDerWaalsContact SD-CE1 3.59Å
46	L	98.2	Very high	92.1	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	26%	0.264	C	S	.	.	S	Bend	trans	-56.4	-59.5	-171.9	-79	174.9	0	0	0	110.9	D163 L218 V219 L275 R278 H279	L46-D163 WeakPolarHBondContact CB-OD2 3.41Å; L46-D163 HydrophobicContact CD1-CB 3.68Å; L46-D163 HydrophobicContact CG-CB 3.95Å; L46-D163 PolarHBondContact N-OD1 3.27Å; L46-D163 PolarHBondContact N-OD2 2.91Å; L46-D163 VanDerWaalsContact N-OD2 3.07Å; L46-L218 HydrophobicContact CD2-CB 3.86Å; L46-L218 HydrophobicContact CD2-CD1 3.94Å; L46-V219 HydrophobicContact CD1-CG2 4.48Å; L46-L275 HydrophobicContact CB-CD2 4.48Å; L46-L275 WeakPolarHBondContact O-CD2 3.47Å; L46-R278 WeakPolarHBondContact O-CD 3.15Å; L46-H279 PolarHBondContact O-NE2 2.93Å
47	Y	98.4	Very high	93	Very high	10 Å²	10	45.6 Å²	45.6	4%	0.039	26%	0.258	C	S	.	.	S	Bend	trans	-108	-28.2	-174.8	-65.3	-80.7	0	0	0	113.7	M45 T160 F164 Q271 F274 L275 T369 L372 W373	M45-Y47 PolarHBondContact O-N 3.46Å; Y47-T160 HydrophobicContact CE2-CG2 4.43Å; Y47-F164 HydrophobicContact CD2-CE1 4Å; Y47-F164 HydrophobicContact CD2-CZ 4.01Å; Y47-Q271 WeakPolarHBondContact OH-CG 3.46Å; Y47-Q271 PolarHBondContact OH-OE1 2.78Å; Y47-F274 AromaticContact CD1-CD1 3.76Å; Y47-F274 HydrophobicContact CD1-CD1 3.76Å; Y47-F274 AromaticContact CD1-CE1 3.71Å; Y47-F274 HydrophobicContact CD1-CE1 3.71Å; Y47-F274 HydrophobicContact CE1-CD1 4.15Å; Y47-F274 HydrophobicContact CG-CE1 4.48Å; Y47-L275 HydrophobicContact CD1-CD2 4.22Å; Y47-L275 HydrophobicContact CE1-CD2 3.96Å; Y47-L275 HydrophobicContact CE1-CG 4.2Å; Y47-T369 HydrophobicContact CE1-CG2 4.37Å; Y47-L372 HydrophobicContact CG-CD1 4.05Å; Y47-W373 HydrophobicContact CE1-CZ2 4.28Å
48	F	97.8	Very high	93.9	Very high	7 Å²	7	46.6 Å²	46.6	3%	0.031	26%	0.263	C	S	.	.	S	Bend	trans	-151.1	161.9	-176.9	54.8	-92.6	0	0	0	109.1	P44 M45 D52 V53 L56 M111 V114 F164 L372	P44-F48 CarbonylContact C-O 3.57Å; P44-F48 HydrophobicContact CB-CD2 4.11Å; P44-F48 HydrophobicContact CB-CE2 3.75Å; P44-F48 HydrophobicContact CB-CZ 4.32Å; P44-F48 HydrophobicContact CG-CD2 4.41Å; P44-F48 HydrophobicContact CG-CE2 3.75Å; P44-F48 HydrophobicContact CG-CZ 4.45Å; P44-F48 VanDerWaalsContact O-O 3.07Å; M45-F48 CarbonylContact C-O 3.42Å; M45-F48 VanDerWaalsContact CA-O 3.29Å; M45-F48 WeakPolarHBondContact CA-O 3.36Å; M45-F48 PolarHBondContact N-O 3.11Å; F48-D52 HydrophobicContact CB-CB 4.02Å; F48-V53 HydrophobicContact CD2-CG2 4.14Å; F48-V53 HydrophobicContact CE2-CG2 3.95Å; F48-L56 HydrophobicContact CB-CD1 4.19Å; F48-L56 HydrophobicContact CD1-CD1 3.82Å; F48-L56 HydrophobicContact CD2-CD1 3.73Å; F48-L56 HydrophobicContact CE1-CD1 4.07Å; F48-L56 HydrophobicContact CE2-CD1 3.99Å; F48-L56 HydrophobicContact CG-CD1 3.65Å; F48-L56 HydrophobicContact CZ-CD1 4.17Å; F48-M111 HydrophobicContact CE1-SD 4.31Å; F48-V114 HydrophobicContact CE2-CG1 4.12Å; F48-V114 HydrophobicContact CZ-CG1 4.02Å; F48-V114 HydrophobicContact CZ-CG2 4.37Å; F48-F164 HydrophobicContact CD1-CE1 4.31Å; F48-F164 HydrophobicContact CD1-CZ 4.45Å; F48-F164 HydrophobicContact CE1-CD1 4.02Å; F48-F164 AromaticContact CE1-CE1 3.4Å; F48-F164 HydrophobicContact CE1-CE1 3.4Å; F48-F164 HydrophobicContact CE1-CE2 4.05Å; F48-F164 AromaticContact CE1-CZ 3.43Å; F48-F164 HydrophobicContact CE1-CZ 3.43Å; F48-F164 VanDerWaalsContact CE1-CZ 3.43Å; F48-F164 AromaticContact CZ-CD1 3.78Å; F48-F164 HydrophobicContact CZ-CD1 3.78Å; F48-F164 HydrophobicContact CZ-CD2 4.37Å; F48-F164 AromaticContact CZ-CE1 3.66Å; F48-F164 HydrophobicContact CZ-CE1 3.66Å; F48-F164 HydrophobicContact CZ-CE2 4.27Å; F48-F164 HydrophobicContact CZ-CG 4.15Å; F48-F164 AromaticContact CZ-CZ 3.94Å; F48-F164 HydrophobicContact CZ-CZ 3.94Å; F48-L372 HydrophobicContact CD1-CD1 4.22Å; F48-L372 HydrophobicContact CD1-CD2 3.51Å; F48-L372 HydrophobicContact CE1-CD1 4.18Å; F48-L372 HydrophobicContact CE1-CD2 3.81Å; F48-L372 HydrophobicContact CG-CD2 4.5Å
49	S	96.5	Very high	94.8	Very high	39 Å²	39	49.7 Å²	49.7	27%	0.273	27%	0.274	S	S	.	.			trans	-94.9	166.9	176.2	74.7	0	0	0	0	111.4	P44 G51 D52	P44-S49 WeakPolarHBondContact O-CA 3.39Å; S49-G51 PolarHBondContact O-N 3.27Å; S49-G51 VanDerWaalsContact O-N 3.17Å; S49-G51 PolarHBondContact OG-N 3.46Å; S49-D52 WeakPolarHBondContact CA-OD2 3.26Å; S49-D52 WeakPolarHBondContact CB-OD2 3.23Å; S49-D52 PolarHBondContact N-OD2 3.32Å; S49-D52 WeakPolarHBondContact O-CB 3.2Å; S49-D52 PolarHBondContact O-N 3.13Å; S49-D52 PolarHBondContact OG-OD2 3.19Å
50	K	94.6	Very high	95.6	Very high	150 Å²	150	46 Å²	46	65%	0.652	26%	0.255	S	S	*	.	G	3₁₀ helix	trans	-53.4	-33.7	169.6	-170.3	175.2	-179.6	179	0	113.4	D52 V53	K50-D52 PolarHBondContact O-N 3.1Å; K50-V53 PolarHBondContact O-N 3.5Å
51	G	94.5	Very high	96.3	Very high	69 Å²	69	48 Å²	48	71%	0.711	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-68.1	-21.3	179	0	0	0	0	0	113.8	S49	S49-G51 PolarHBondContact O-N 3.27Å; S49-G51 VanDerWaalsContact O-N 3.17Å; S49-G51 PolarHBondContact OG-N 3.46Å
52	D	95.9	Very high	97	Very high	71 Å²	71	48.4 Å²	48.4	38%	0.38	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-86.7	-17.4	-177.2	-57.9	-52.3	0	0	0	112.7	F48 S49 K50 E54 G55 L56	F48-D52 HydrophobicContact CB-CB 4.02Å; S49-D52 WeakPolarHBondContact CA-OD2 3.26Å; S49-D52 WeakPolarHBondContact CB-OD2 3.23Å; S49-D52 PolarHBondContact N-OD2 3.32Å; S49-D52 WeakPolarHBondContact O-CB 3.2Å; S49-D52 PolarHBondContact O-N 3.13Å; S49-D52 PolarHBondContact OG-OD2 3.19Å; K50-D52 PolarHBondContact O-N 3.1Å; D52-E54 PolarHBondContact O-N 3.05Å; D52-G55 WeakPolarHBondContact O-CA 3.37Å; D52-G55 PolarHBondContact O-N 3.42Å; D52-L56 WeakPolarHBondContact O-CG 3.25Å; D52-L56 PolarHBondContact O-N 3.42Å
53	V	97.8	Very high	97.4	Very high	15 Å²	15	49.7 Å²	49.7	9%	0.091	29%	0.289	C	S	.	.	H	α-helix	trans	-59.3	-44.7	-169.7	174.6	0	0	0	0	112.6	F48 K50 G55 L56 R57 V114	F48-V53 HydrophobicContact CD2-CG2 4.14Å; F48-V53 HydrophobicContact CE2-CG2 3.95Å; K50-V53 PolarHBondContact O-N 3.5Å; V53-G55 VanDerWaalsContact C-N 3.28Å; V53-G55 PolarHBondContact O-N 2.9Å; V53-L56 WeakPolarHBondContact O-CB 3.44Å; V53-L56 PolarHBondContact O-N 2.85Å; V53-L56 VanDerWaalsContact O-N 3.1Å; V53-R57 WeakPolarHBondContact O-CG 3.24Å; V53-R57 PolarHBondContact O-N 3.31Å; V53-V114 HydrophobicContact CG1-CG1 4.09Å; V53-V114 HydrophobicContact CG2-CG1 4.49Å
54	E	97.5	Very high	97.6	Very high	124 Å²	124	49 Å²	49	58%	0.579	29%	0.286	S	S	*	.	H	α-helix	trans	-63.1	-36.7	177.7	-68.4	-56.5	129.8	0	0	111.9	D52 R57 L58	D52-E54 PolarHBondContact O-N 3.05Å; E54-R57 PolarHBondContact O-N 3.32Å; E54-R57 IonicContact OE1-CZ 2.8Å; E54-R57 IonicContact OE1-NH1 3.82Å; E54-R57 PolarHBondContact OE1-NH1 3.5Å; E54-L58 WeakPolarHBondContact O-CB 3.48Å; E54-L58 PolarHBondContact O-N 3.39Å
55	G	98	Very high	97.7	Very high	38 Å²	38	54.5 Å²	54.5	39%	0.392	31%	0.311	S	S	.	.	H	α-helix	trans	-65.1	-37.6	173	0	0	0	0	0	112.7	D52 V53 K59	D52-G55 WeakPolarHBondContact O-CA 3.37Å; D52-G55 PolarHBondContact O-N 3.42Å; V53-G55 VanDerWaalsContact C-N 3.28Å; V53-G55 PolarHBondContact O-N 2.9Å; G55-K59 WeakPolarHBondContact O-CB 3.04Å; G55-K59 WeakPolarHBondContact O-CG 3.27Å; G55-K59 PolarHBondContact O-N 2.79Å
56	L	98.6	Very high	97.7	Very high	16 Å²	16	56.9 Å²	56.9	8%	0.084	32%	0.322	C	S	.	.	H	α-helix	trans	-66.7	-41.1	174.9	-64.4	175.5	0	0	0	111.8	F48 D52 V53 K59 A60 M111 L115 F371 L372	F48-L56 HydrophobicContact CB-CD1 4.19Å; F48-L56 HydrophobicContact CD1-CD1 3.82Å; F48-L56 HydrophobicContact CD2-CD1 3.73Å; F48-L56 HydrophobicContact CE1-CD1 4.07Å; F48-L56 HydrophobicContact CE2-CD1 3.99Å; F48-L56 HydrophobicContact CG-CD1 3.65Å; F48-L56 HydrophobicContact CZ-CD1 4.17Å; D52-L56 WeakPolarHBondContact O-CG 3.25Å; D52-L56 PolarHBondContact O-N 3.42Å; V53-L56 WeakPolarHBondContact O-CB 3.44Å; V53-L56 PolarHBondContact O-N 2.85Å; V53-L56 VanDerWaalsContact O-N 3.1Å; L56-K59 WeakPolarHBondContact O-CB 3.07Å; L56-K59 PolarHBondContact O-N 3.26Å; L56-A60 PolarHBondContact O-N 2.85Å; L56-M111 HydrophobicContact CD1-CE 4.42Å; L56-L115 HydrophobicContact CB-CD2 4.05Å; L56-F371 HydrophobicContact CB-CE1 4.3Å; L56-F371 HydrophobicContact CD2-CE1 4.14Å; L56-F371 WeakPolarHBondContact O-CZ 3.38Å; L56-L372 HydrophobicContact CD1-CD2 4.01Å; L56-L372 HydrophobicContact CD2-CD2 4.01Å
57	R	98.6	Very high	97.7	Very high	55 Å²	55	56.8 Å²	56.8	21%	0.208	32%	0.321	C	S	.	.	H	α-helix	trans	-62.8	-44.7	174.9	-68.8	177.7	-179.9	160.2	-1.7	111.9	V53 E54 K59 A60 A61 V114 P117	V53-R57 WeakPolarHBondContact O-CG 3.24Å; V53-R57 PolarHBondContact O-N 3.31Å; E54-R57 PolarHBondContact O-N 3.32Å; E54-R57 IonicContact OE1-CZ 2.8Å; E54-R57 IonicContact OE1-NH1 3.82Å; E54-R57 PolarHBondContact OE1-NH1 3.5Å; R57-K59 VanDerWaalsContact C-N 3.3Å; R57-K59 PolarHBondContact O-N 3.38Å; R57-A60 WeakPolarHBondContact O-CB 3.49Å; R57-A60 PolarHBondContact O-N 3.46Å; R57-A61 PolarHBondContact O-N 3.49Å; R57-A61 VanDerWaalsContact O-N 3.07Å; R57-V114 PolarHBondContact NE-O 3.43Å; R57-V114 PolarHBondContact NH2-O 3.4Å; R57-P117 VanDerWaalsContact CZ-CG 3.49Å; R57-P117 VanDerWaalsContact NH2-CG 3.3Å
58	L	98.4	Very high	97.7	Very high	113 Å²	113	56.4 Å²	56.4	59%	0.592	32%	0.32	S	S	*	.	H	α-helix	trans	-59.8	-42.7	174.7	-179	62.5	0	0	0	111.4	E54 A61 T62	E54-L58 WeakPolarHBondContact O-CB 3.48Å; E54-L58 PolarHBondContact O-N 3.39Å; L58-A61 PolarHBondContact O-N 3.5Å; L58-T62 HydrophobicContact CD1-CG2 4.2Å; L58-T62 WeakPolarHBondContact O-CB 3.4Å; L58-T62 WeakPolarHBondContact O-CG2 3.17Å; L58-T62 PolarHBondContact O-N 3.39Å; L58-T62 VanDerWaalsContact O-N 3.14Å; L58-T62 PolarHBondContact O-OG1 2.9Å
59	K	98.6	Very high	97.8	Very high	75 Å²	75	58.5 Å²	58.5	33%	0.326	34%	0.338	S	S	.	.	H	α-helix	trans	-60.6	-44.6	174.8	-78.5	174.3	173.5	-168.6	0	112.1	G55 L56 R57 A61 T62 T63 H64 F371	G55-K59 WeakPolarHBondContact O-CB 3.04Å; G55-K59 WeakPolarHBondContact O-CG 3.27Å; G55-K59 PolarHBondContact O-N 2.79Å; L56-K59 WeakPolarHBondContact O-CB 3.07Å; L56-K59 PolarHBondContact O-N 3.26Å; R57-K59 VanDerWaalsContact C-N 3.3Å; R57-K59 PolarHBondContact O-N 3.38Å; K59-A61 VanDerWaalsContact C-N 3.28Å; K59-A61 PolarHBondContact O-N 2.9Å; K59-T62 CarbonylContact O-C 3.56Å; K59-T62 PolarHBondContact O-N 3.02Å; K59-T63 PolarHBondContact O-N 3.39Å; K59-T63 VanDerWaalsContact O-N 3.16Å; K59-H64 HydrophobicContact CB-CB 4.26Å; K59-H64 WeakPolarHBondContact O-CA 3.3Å; K59-H64 WeakPolarHBondContact O-CB 3.4Å; K59-H64 PolarHBondContact O-N 3.42Å; K59-F371 HydrophobicContact CB-CZ 4.33Å
60	A	98.6	Very high	97.8	Very high	3 Å²	3	59.8 Å²	59.8	3%	0.025	34%	0.34	C	S	.	.	H	α-helix	trans	-59.1	-39.3	177.4	0	0	0	0	0	112.5	L56 R57 T62 Q65 A68 L115 F371	L56-A60 PolarHBondContact O-N 2.85Å; R57-A60 WeakPolarHBondContact O-CB 3.49Å; R57-A60 PolarHBondContact O-N 3.46Å; A60-T62 VanDerWaalsContact C-N 3.29Å; A60-T62 PolarHBondContact O-N 3.25Å; A60-Q65 VanDerWaalsContact O-CA 3.28Å; A60-Q65 WeakPolarHBondContact O-CA 3.45Å; A60-A68 HydrophobicContact CB-CB 3.96Å; A60-L115 HydrophobicContact CB-CB 4.5Å; A60-L115 HydrophobicContact CB-CD1 4.07Å; A60-L115 HydrophobicContact CB-CD2 4.09Å; A60-L115 HydrophobicContact CB-CG 4.44Å; A60-F371 HydrophobicContact CB-CE2 3.88Å; A60-F371 HydrophobicContact CB-CZ 3.78Å
61	A	98.1	Very high	98	Very high	71 Å²	71	52.7 Å²	52.7	59%	0.587	31%	0.309	S	S	*	.	H	α-helix	trans	-77.4	-10.2	177.1	0	0	0	0	0	114.3	R57 L58 K59	R57-A61 PolarHBondContact O-N 3.49Å; R57-A61 VanDerWaalsContact O-N 3.07Å; L58-A61 PolarHBondContact O-N 3.5Å; K59-A61 VanDerWaalsContact C-N 3.28Å; K59-A61 PolarHBondContact O-N 2.9Å
62	T	98.3	Very high	98.2	Very high	73 Å²	73	51.8 Å²	51.8	45%	0.448	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.6	-98	-173.6	60.6	0	0	0	0	111.4	L58 K59 A60 H64 Q65	L58-T62 HydrophobicContact CD1-CG2 4.2Å; L58-T62 WeakPolarHBondContact O-CB 3.4Å; L58-T62 WeakPolarHBondContact O-CG2 3.17Å; L58-T62 PolarHBondContact O-N 3.39Å; L58-T62 VanDerWaalsContact O-N 3.14Å; L58-T62 PolarHBondContact O-OG1 2.9Å; K59-T62 CarbonylContact O-C 3.56Å; K59-T62 PolarHBondContact O-N 3.02Å; A60-T62 VanDerWaalsContact C-N 3.29Å; A60-T62 PolarHBondContact O-N 3.25Å; T62-H64 VanDerWaalsContact C-N 3.33Å; T62-H64 PolarHBondContact O-N 3.05Å; T62-Q65 WeakPolarHBondContact O-CB 3.42Å; T62-Q65 PolarHBondContact O-N 3.3Å
63	T	98.1	Very high	98.3	Very high	69 Å²	69	53.9 Å²	53.9	42%	0.423	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	-22	-166.6	54.9	0	0	0	0	114.5	K59 A376	K59-T63 PolarHBondContact O-N 3.39Å; K59-T63 VanDerWaalsContact O-N 3.16Å; T63-A376 VanDerWaalsContact CB-CB 3.48Å; T63-A376 HydrophobicContact CG2-CB 4.06Å
64	H	98.6	Very high	98.4	Very high	2 Å²	2	53.2 Å²	53.2	1%	0.009	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	13.5	-178.8	-61.8	42.5	0	0	0	111.9	K59 T62 H66 I67 A68 F371 Y374	K59-H64 HydrophobicContact CB-CB 4.26Å; K59-H64 WeakPolarHBondContact O-CA 3.3Å; K59-H64 WeakPolarHBondContact O-CB 3.4Å; K59-H64 PolarHBondContact O-N 3.42Å; T62-H64 VanDerWaalsContact C-N 3.33Å; T62-H64 PolarHBondContact O-N 3.05Å; H64-H66 PolarHBondContact O-N 3.14Å; H64-H66 VanDerWaalsContact O-N 3.16Å; H64-I67 PolarHBondContact O-N 3.31Å; H64-A68 PolarHBondContact O-N 3.09Å; H64-F371 HydrophobicContact CB-CD2 3.93Å; H64-F371 HydrophobicContact CB-CE2 3.4Å; H64-F371 VanDerWaalsContact CB-CE2 3.4Å; H64-F371 HydrophobicContact CB-CZ 4.01Å; H64-F371 PolarHBondContact CD2-O 3.37Å; H64-Y374 AromaticContact CD2-CD1 3.72Å; H64-Y374 AromaticContact CE1-CD1 3.67Å; H64-Y374 AromaticContact CG-CD1 3.85Å; H64-Y374 AromaticContact ND1-CD1 3.84Å; H64-Y374 AromaticContact NE2-CD1 3.64Å; H64-Y374 PolarHBondContact NE2-O 3.29Å
65	Q	98.4	Very high	98.4	Very high	126 Å²	126	47.4 Å²	47.4	59%	0.589	27%	0.266	S	S	*	.	H	α-helix	trans	-53.3	-39.1	-175.9	-174.1	-176.9	23	0	0	112.9	A60 T62 I67 A68 A69	A60-Q65 VanDerWaalsContact O-CA 3.28Å; A60-Q65 WeakPolarHBondContact O-CA 3.45Å; T62-Q65 WeakPolarHBondContact O-CB 3.42Å; T62-Q65 PolarHBondContact O-N 3.3Å; Q65-I67 VanDerWaalsContact C-N 3.31Å; Q65-I67 PolarHBondContact O-N 2.94Å; Q65-A68 PolarHBondContact O-N 2.86Å; Q65-A69 WeakPolarHBondContact O-CB 3.27Å; Q65-A69 PolarHBondContact O-N 3.31Å
66	H	97.9	Very high	98.4	Very high	67 Å²	67	50.8 Å²	50.8	31%	0.31	27%	0.272	S	S	.	.	H	α-helix	trans	-65	-31.4	179.9	64.1	-84.7	0	0	0	113.4	H64 H70 R347 Y374	H64-H66 PolarHBondContact O-N 3.14Å; H64-H66 VanDerWaalsContact O-N 3.16Å; H66-H70 PolarHBondContact O-CD2 3.44Å; H66-R347 PolarHBondContact CD2-NH1 3.14Å; H66-R347 VanDerWaalsContact CD2-NH1 3.3Å; H66-Y374 AromaticContact CE1-CE1 3.55Å; H66-Y374 AromaticContact CE1-CZ 3.68Å
67	I	98.7	Very high	98.4	Very high	0 Å²	0	52 Å²	52	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-83.7	-41.3	176	-47.2	176.7	0	0	0	109.8	H64 Q65 A69 H70 L71 E370 F371 Y374	H64-I67 PolarHBondContact O-N 3.31Å; Q65-I67 VanDerWaalsContact C-N 3.31Å; Q65-I67 PolarHBondContact O-N 2.94Å; I67-A69 VanDerWaalsContact C-N 3.25Å; I67-A69 PolarHBondContact O-N 3.38Å; I67-H70 PolarHBondContact O-N 3.38Å; I67-H70 VanDerWaalsContact O-N 3.15Å; I67-L71 PolarHBondContact O-N 2.95Å; I67-E370 HydrophobicContact CD1-CG 4.24Å; I67-E370 HydrophobicContact CG2-CB 4.4Å; I67-E370 HydrophobicContact CG2-CG 4.1Å; I67-F371 HydrophobicContact CB-CD2 4.23Å; I67-F371 HydrophobicContact CG2-CB 3.95Å; I67-F371 HydrophobicContact CG2-CD2 4.29Å; I67-Y374 HydrophobicContact CD1-CD1 3.91Å; I67-Y374 HydrophobicContact CD1-CD2 4.29Å; I67-Y374 HydrophobicContact CD1-CG 3.68Å
68	A	98.8	Very high	98.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-58.9	-37.4	176	0	0	0	0	0	111.9	A60 H64 Q65 H70 L71 T72 F371	A60-A68 HydrophobicContact CB-CB 3.96Å; H64-A68 PolarHBondContact O-N 3.09Å; Q65-A68 PolarHBondContact O-N 2.86Å; A68-H70 VanDerWaalsContact C-N 3.31Å; A68-H70 PolarHBondContact O-N 2.92Å; A68-L71 WeakPolarHBondContact O-CB 3.31Å; A68-L71 PolarHBondContact O-N 2.93Å; A68-T72 PolarHBondContact O-N 3.47Å; A68-T72 PolarHBondContact O-OG1 3.3Å; A68-T72 VanDerWaalsContact O-OG1 3.05Å; A68-F371 HydrophobicContact CB-CD2 4.49Å; A68-F371 HydrophobicContact CB-CE2 4.1Å
69	A	98.6	Very high	98.4	Very high	51 Å²	51	45 Å²	45	42%	0.421	25%	0.248	S	C	.	.	H	α-helix	trans	-59.6	-38.4	176.4	0	0	0	0	0	112.7	Q65 I67 T72 E73	Q65-A69 WeakPolarHBondContact O-CB 3.27Å; Q65-A69 PolarHBondContact O-N 3.31Å; I67-A69 VanDerWaalsContact C-N 3.25Å; I67-A69 PolarHBondContact O-N 3.38Å; A69-T72 WeakPolarHBondContact O-CB 3.44Å; A69-T72 PolarHBondContact O-N 3.35Å; A69-E73 WeakPolarHBondContact O-CB 3.48Å; A69-E73 PolarHBondContact O-N 2.77Å
70	H	98.1	Very high	98.3	Very high	67 Å²	67	44.7 Å²	44.7	31%	0.31	26%	0.255	S	S	.	.	H	α-helix	trans	-72.1	-35.1	176.3	-70.6	-61.5	0	0	0	112.9	H66 I67 A68 T72 E73 A74 R347 L367	H66-H70 PolarHBondContact O-CD2 3.44Å; I67-H70 PolarHBondContact O-N 3.38Å; I67-H70 VanDerWaalsContact O-N 3.15Å; A68-H70 VanDerWaalsContact C-N 3.31Å; A68-H70 PolarHBondContact O-N 2.92Å; H70-T72 VanDerWaalsContact C-N 3.31Å; H70-E73 IonicContact ND1-OE2 3.16Å; H70-E73 PolarHBondContact ND1-OE2 3.11Å; H70-E73 PolarHBondContact O-N 3.27Å; H70-A74 WeakPolarHBondContact O-CB 3.21Å; H70-A74 PolarHBondContact O-N 3.03Å; H70-R347 WeakPolarHBondContact NE2-CD 3.28Å; H70-L367 HydrophobicContact CB-CD2 4.17Å
71	L	98.6	Very high	98.2	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-43.6	168.5	-75.9	167	0	0	0	110.7	I67 A68 A74 V75 A108 M111 L115 L367 F371	I67-L71 PolarHBondContact O-N 2.95Å; A68-L71 WeakPolarHBondContact O-CB 3.31Å; A68-L71 PolarHBondContact O-N 2.93Å; L71-A74 PolarHBondContact O-N 3.23Å; L71-V75 WeakPolarHBondContact O-CG2 3.42Å; L71-V75 PolarHBondContact O-N 3.19Å; L71-A108 HydrophobicContact CD2-CB 3.89Å; L71-M111 HydrophobicContact CD1-CG 3.99Å; L71-M111 HydrophobicContact CD2-CB 4.48Å; L71-L115 HydrophobicContact CD1-CD1 4.05Å; L71-L367 HydrophobicContact CD2-CB 3.56Å; L71-L367 HydrophobicContact CD2-CD1 4.18Å; L71-L367 HydrophobicContact CG-CB 4.07Å; L71-F371 HydrophobicContact CD1-CB 4.3Å; L71-F371 HydrophobicContact CD1-CD2 4.43Å; L71-F371 HydrophobicContact CD1-CG 4.46Å
72	T	98.8	Very high	98	Very high	51 Å²	51	47 Å²	47	31%	0.313	26%	0.26	S	S	.	.	H	α-helix	trans	-61.9	-45.8	176.7	-58.8	0	0	0	0	111.9	A68 A69 H70 V75 Q76 F112	A68-T72 PolarHBondContact O-N 3.47Å; A68-T72 PolarHBondContact O-OG1 3.3Å; A68-T72 VanDerWaalsContact O-OG1 3.05Å; A69-T72 WeakPolarHBondContact O-CB 3.44Å; A69-T72 PolarHBondContact O-N 3.35Å; H70-T72 VanDerWaalsContact C-N 3.31Å; T72-V75 PolarHBondContact O-N 3.12Å; T72-Q76 VanDerWaalsContact O-CB 3.28Å; T72-Q76 WeakPolarHBondContact O-CB 3.39Å; T72-Q76 PolarHBondContact O-N 2.77Å; T72-F112 HydrophobicContact CG2-CE2 4.09Å
73	E	98.3	Very high	97.6	Very high	115 Å²	115	51.5 Å²	51.5	54%	0.537	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-45.1	176.8	-175.7	-171.3	177.9	0	0	112	A69 H70 Q76 T77	A69-E73 WeakPolarHBondContact O-CB 3.48Å; A69-E73 PolarHBondContact O-N 2.77Å; H70-E73 IonicContact ND1-OE2 3.16Å; H70-E73 PolarHBondContact ND1-OE2 3.11Å; H70-E73 PolarHBondContact O-N 3.27Å; E73-Q76 PolarHBondContact O-N 3.34Å; E73-T77 WeakPolarHBondContact O-CB 3.26Å; E73-T77 PolarHBondContact O-N 2.8Å; E73-T77 PolarHBondContact O-OG1 2.93Å
74	A	98.4	Very high	97.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-59.1	-49.2	177	0	0	0	0	0	111.5	H70 L71 T77 M78 W364 L367	H70-A74 WeakPolarHBondContact O-CB 3.21Å; H70-A74 PolarHBondContact O-N 3.03Å; L71-A74 PolarHBondContact O-N 3.23Å; A74-T77 WeakPolarHBondContact O-CB 3.29Å; A74-T77 PolarHBondContact O-N 2.82Å; A74-M78 WeakPolarHBondContact O-CG 3.45Å; A74-M78 PolarHBondContact O-N 3.42Å; A74-W364 HydrophobicContact CB-CD2 3.49Å; A74-W364 VanDerWaalsContact CB-CD2 3.49Å; A74-W364 VanDerWaalsContact CB-CE2 3.46Å; A74-W364 HydrophobicContact CB-CE3 3.97Å; A74-W364 HydrophobicContact CB-CG 3.77Å; A74-W364 HydrophobicContact CB-CH2 4.35Å; A74-W364 HydrophobicContact CB-CZ2 3.92Å; A74-W364 HydrophobicContact CB-CZ3 4.37Å; A74-L367 HydrophobicContact CB-CD1 4.31Å
75	V	98.7	Very high	97.2	Very high	2 Å²	2	53.9 Å²	53.9	1%	0.012	29%	0.287	C	S	.	.	H	α-helix	trans	-68.3	-40.7	179.8	173.6	0	0	0	0	111.9	L71 T72 T77 M78 V79 L109 F112 A122	L71-V75 WeakPolarHBondContact O-CG2 3.42Å; L71-V75 PolarHBondContact O-N 3.19Å; T72-V75 PolarHBondContact O-N 3.12Å; V75-T77 VanDerWaalsContact C-N 3.25Å; V75-T77 PolarHBondContact O-N 3.07Å; V75-M78 HydrophobicContact CB-CE 4.39Å; V75-M78 HydrophobicContact CG2-CE 3.79Å; V75-M78 PolarHBondContact O-N 2.99Å; V75-M78 VanDerWaalsContact O-N 3.13Å; V75-V79 HydrophobicContact CG1-CG2 3.94Å; V75-V79 WeakPolarHBondContact O-CB 3.26Å; V75-V79 WeakPolarHBondContact O-CG2 3.36Å; V75-V79 PolarHBondContact O-N 3.32Å; V75-L109 HydrophobicContact CB-CD1 4.42Å; V75-L109 HydrophobicContact CG1-CD1 3.77Å; V75-L109 HydrophobicContact CG2-CB 4.48Å; V75-L109 HydrophobicContact CG2-CD1 3.79Å; V75-F112 HydrophobicContact CB-CB 4.46Å; V75-F112 HydrophobicContact CB-CD1 4.16Å; V75-F112 HydrophobicContact CB-CD2 4.09Å; V75-F112 HydrophobicContact CB-CE1 4.46Å; V75-F112 HydrophobicContact CB-CE2 4.4Å; V75-F112 HydrophobicContact CB-CG 3.97Å; V75-F112 HydrophobicContact CG1-CD1 3.77Å; V75-F112 HydrophobicContact CG1-CE1 3.88Å; V75-F112 HydrophobicContact CG1-CG 4.12Å; V75-F112 HydrophobicContact CG1-CZ 4.3Å; V75-F112 HydrophobicContact CG2-CB 3.56Å; V75-F112 HydrophobicContact CG2-CD1 4.05Å; V75-F112 HydrophobicContact CG2-CD2 4.03Å; V75-F112 HydrophobicContact CG2-CG 3.61Å; V75-A122 HydrophobicContact CG1-CB 4.03Å
76	Q	98.4	Very high	97.2	Very high	109 Å²	109	48.9 Å²	48.9	51%	0.509	26%	0.264	S	S	.	.	H	α-helix	trans	-59.7	-40.5	175.3	-174.4	59.9	36.1	0	0	111.1	T72 E73 S80	T72-Q76 VanDerWaalsContact O-CB 3.28Å; T72-Q76 WeakPolarHBondContact O-CB 3.39Å; T72-Q76 PolarHBondContact O-N 2.77Å; E73-Q76 PolarHBondContact O-N 3.34Å; Q76-S80 PolarHBondContact NE2-OG 2.95Å; Q76-S80 VanDerWaalsContact NE2-OG 3.1Å; Q76-S80 VanDerWaalsContact O-CB 3.22Å; Q76-S80 WeakPolarHBondContact O-CB 3.45Å; Q76-S80 PolarHBondContact O-N 3.2Å; Q76-S80 PolarHBondContact O-OG 2.57Å
77	T	98.3	Very high	97.2	Very high	42 Å²	42	45.7 Å²	45.7	26%	0.258	25%	0.249	S	C	.	.	H	α-helix	trans	-61.9	-43.7	175.7	-58.5	0	0	0	0	111.6	E73 A74 V75 N81 Y85 W364	E73-T77 WeakPolarHBondContact O-CB 3.26Å; E73-T77 PolarHBondContact O-N 2.8Å; E73-T77 PolarHBondContact O-OG1 2.93Å; A74-T77 WeakPolarHBondContact O-CB 3.29Å; A74-T77 PolarHBondContact O-N 2.82Å; V75-T77 VanDerWaalsContact C-N 3.25Å; V75-T77 PolarHBondContact O-N 3.07Å; T77-N81 PolarHBondContact O-N 2.9Å; T77-N81 PolarHBondContact O-ND2 3.39Å; T77-Y85 HydrophobicContact CG2-CE2 4.04Å; T77-W364 HydrophobicContact CG2-CH2 3.8Å; T77-W364 HydrophobicContact CG2-CZ2 4.32Å
78	M	98.4	Very high	97.2	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-49.1	177.8	-71.3	-170.7	-75.4	0	0	112.2	A74 V75 S80 N81 P82 Y85 N105 L109 M125 W364	A74-M78 WeakPolarHBondContact O-CG 3.45Å; A74-M78 PolarHBondContact O-N 3.42Å; V75-M78 HydrophobicContact CB-CE 4.39Å; V75-M78 HydrophobicContact CG2-CE 3.79Å; V75-M78 PolarHBondContact O-N 2.99Å; V75-M78 VanDerWaalsContact O-N 3.13Å; M78-S80 VanDerWaalsContact C-N 3.3Å; M78-S80 PolarHBondContact O-N 3.33Å; M78-N81 CarbonylContact O-C 3.56Å; M78-N81 PolarHBondContact O-N 3.49Å; M78-N81 VanDerWaalsContact O-N 3.1Å; M78-P82 WeakPolarHBondContact O-CA 3.24Å; M78-P82 VanDerWaalsContact O-N 3.12Å; M78-Y85 HydrophobicContact CB-CD2 4.49Å; M78-Y85 HydrophobicContact CB-CG 4.3Å; M78-Y85 HydrophobicContact CG-CD1 3.81Å; M78-Y85 HydrophobicContact CG-CD2 4.24Å; M78-Y85 HydrophobicContact CG-CE1 4.35Å; M78-Y85 HydrophobicContact CG-CG 3.74Å; M78-N105 HydrophobicContact SD-CB 3.85Å; M78-L109 HydrophobicContact CE-CB 3.95Å; M78-L109 HydrophobicContact CE-CD1 4.47Å; M78-M125 HydrophobicContact CB-CE 3.77Å; M78-M125 HydrophobicContact CB-SD 4.18Å; M78-W364 HydrophobicContact CE-CZ3 4.48Å; M78-W364 HydrophobicContact CG-CH2 4.3Å; M78-W364 HydrophobicContact CG-CZ3 3.66Å; M78-W364 HydrophobicContact SD-CE3 4.4Å; M78-W364 HydrophobicContact SD-CZ3 4.08Å
79	V	97.1	Very high	97.2	Very high	20 Å²	20	52.3 Å²	52.3	12%	0.121	28%	0.277	C	S	.	.	H	α-helix	trans	-64.6	-35.2	-180	170.6	0	0	0	0	111.5	V75 N81 P82 E121 M125	V75-V79 HydrophobicContact CG1-CG2 3.94Å; V75-V79 WeakPolarHBondContact O-CB 3.26Å; V75-V79 WeakPolarHBondContact O-CG2 3.36Å; V75-V79 PolarHBondContact O-N 3.32Å; V79-N81 VanDerWaalsContact C-N 3.26Å; V79-N81 PolarHBondContact O-N 2.99Å; V79-P82 WeakPolarHBondContact O-CD 3.27Å; V79-E121 HydrophobicContact CG1-CG 3.86Å; V79-E121 WeakPolarHBondContact CG1-OE1 2.98Å; V79-M125 HydrophobicContact CB-SD 4.37Å; V79-M125 HydrophobicContact CG2-SD 3.65Å
80	S	97.3	Very high	97.1	Very high	69 Å²	69	53.3 Å²	53.3	48%	0.483	28%	0.275	S	S	.	.	H	α-helix	trans	-72.4	-20.3	176.1	-54	0	0	0	0	112.9	Q76 M78	Q76-S80 PolarHBondContact NE2-OG 2.95Å; Q76-S80 VanDerWaalsContact NE2-OG 3.1Å; Q76-S80 VanDerWaalsContact O-CB 3.22Å; Q76-S80 WeakPolarHBondContact O-CB 3.45Å; Q76-S80 PolarHBondContact O-N 3.2Å; Q76-S80 PolarHBondContact O-OG 2.57Å; M78-S80 VanDerWaalsContact C-N 3.3Å; M78-S80 PolarHBondContact O-N 3.33Å
81	N	96.6	Very high	97.1	Very high	73 Å²	73	52.4 Å²	52.4	39%	0.39	28%	0.275	S	S	.	.	S	Bend	trans	-134.8	54.1	-176.6	-57.3	-78.4	0	0	0	112.1	T77 M78 V79 L83 E84 Y85	T77-N81 PolarHBondContact O-N 2.9Å; T77-N81 PolarHBondContact O-ND2 3.39Å; M78-N81 CarbonylContact O-C 3.56Å; M78-N81 PolarHBondContact O-N 3.49Å; M78-N81 VanDerWaalsContact O-N 3.1Å; V79-N81 VanDerWaalsContact C-N 3.26Å; V79-N81 PolarHBondContact O-N 2.99Å; N81-L83 VanDerWaalsContact C-N 3.28Å; N81-L83 PolarHBondContact O-N 3.25Å; N81-E84 HydrophobicContact CB-CB 4.21Å; N81-E84 WeakPolarHBondContact O-CB 3.31Å; N81-E84 PolarHBondContact O-N 3.28Å; N81-Y85 HydrophobicContact CB-CD2 4.1Å; N81-Y85 HydrophobicContact CB-CE2 4.07Å; N81-Y85 WeakPolarHBondContact O-CD2 3.36Å; N81-Y85 PolarHBondContact O-N 3.17Å
82	P	94.1	Very high	96.9	Very high	50 Å²	50	60.3 Å²	60.3	33%	0.325	31%	0.309	S	S	.	.	H	α-helix	trans	-64.4	-33.8	-165.6	25.7	-32.9	0	0	0	112.3	M78 V79 E84 Y85 L86 M125	M78-P82 WeakPolarHBondContact O-CA 3.24Å; M78-P82 VanDerWaalsContact O-N 3.12Å; V79-P82 WeakPolarHBondContact O-CD 3.27Å; P82-E84 PolarHBondContact O-N 3.17Å; P82-Y85 PolarHBondContact O-N 3.05Å; P82-L86 HydrophobicContact CB-CD1 3.95Å; P82-L86 HydrophobicContact CB-CG 4.48Å; P82-L86 VanDerWaalsContact O-CB 3.22Å; P82-L86 WeakPolarHBondContact O-CB 3.43Å; P82-L86 VanDerWaalsContact O-CG 3.24Å; P82-L86 WeakPolarHBondContact O-CG 3.37Å; P82-L86 PolarHBondContact O-N 2.8Å; P82-M125 HydrophobicContact CB-CE 4.22Å
83	L	89.5	Confident	96.8	Very high	168 Å²	168	63.8 Å²	63.8	88%	0.88	32%	0.322	S	S	*	.	H	α-helix	trans	-63.2	-23.6	176.6	-63.8	177.5	0	0	0	113.6	N81	N81-L83 VanDerWaalsContact C-N 3.28Å; N81-L83 PolarHBondContact O-N 3.25Å
84	E	92.3	Very high	96.7	Very high	109 Å²	109	58.3 Å²	58.3	51%	0.509	30%	0.296	S	S	.	.	H	α-helix	trans	-88.2	-22.6	-179.1	-159.1	-163.3	154.1	0	0	112.7	N81 P82 K360	N81-E84 HydrophobicContact CB-CB 4.21Å; N81-E84 WeakPolarHBondContact O-CB 3.31Å; N81-E84 PolarHBondContact O-N 3.28Å; P82-E84 PolarHBondContact O-N 3.17Å; E84-K360 VanDerWaalsContact CD-NZ 3.29Å; E84-K360 WeakPolarHBondContact OE1-CE 3.47Å; E84-K360 IonicContact OE1-NZ 3.7Å; E84-K360 PolarHBondContact OE1-NZ 3Å
85	Y	96.8	Very high	96.4	Very high	11 Å²	11	59.3 Å²	59.3	4%	0.043	30%	0.303	C	S	.	.	H	α-helix	trans	-116.1	-24	-171.6	-72	-84.3	0	0	0	114.1	T77 M78 N81 P82 Y129 K360 R363 W364	T77-Y85 HydrophobicContact CG2-CE2 4.04Å; M78-Y85 HydrophobicContact CB-CD2 4.49Å; M78-Y85 HydrophobicContact CB-CG 4.3Å; M78-Y85 HydrophobicContact CG-CD1 3.81Å; M78-Y85 HydrophobicContact CG-CD2 4.24Å; M78-Y85 HydrophobicContact CG-CE1 4.35Å; M78-Y85 HydrophobicContact CG-CG 3.74Å; N81-Y85 HydrophobicContact CB-CD2 4.1Å; N81-Y85 HydrophobicContact CB-CE2 4.07Å; N81-Y85 WeakPolarHBondContact O-CD2 3.36Å; N81-Y85 PolarHBondContact O-N 3.17Å; P82-Y85 PolarHBondContact O-N 3.05Å; Y85-Y129 WeakPolarHBondContact O-CE2 3.46Å; Y85-Y129 PolarHBondContact O-OH 2.98Å; Y85-K360 HydrophobicContact CE1-CG 4.46Å; Y85-R363 PolarHBondContact OH-NH2 2.81Å; Y85-W364 HydrophobicContact CD1-CZ3 4.1Å; Y85-W364 AromaticContact CE1-CH2 3.86Å; Y85-W364 HydrophobicContact CE1-CH2 3.86Å; Y85-W364 AromaticContact CE1-CZ3 3.58Å; Y85-W364 HydrophobicContact CE1-CZ3 3.58Å
86	L	98.3	Very high	96	Very high	21 Å²	21	61.5 Å²	61.5	11%	0.11	32%	0.321	C	S	.	.	S	Bend	trans	-67.9	137	173.3	-75.2	167.9	0	0	0	109.7	P82 M125 D128 Y129	P82-L86 HydrophobicContact CB-CD1 3.95Å; P82-L86 HydrophobicContact CB-CG 4.48Å; P82-L86 VanDerWaalsContact O-CB 3.22Å; P82-L86 WeakPolarHBondContact O-CB 3.43Å; P82-L86 VanDerWaalsContact O-CG 3.24Å; P82-L86 WeakPolarHBondContact O-CG 3.37Å; P82-L86 PolarHBondContact O-N 2.8Å; L86-M125 HydrophobicContact CD2-CE 4.2Å; L86-M125 HydrophobicContact CD2-CG 4.25Å; L86-M125 HydrophobicContact CG-CE 4.1Å; L86-D128 WeakPolarHBondContact CD1-OD2 3.32Å; L86-D128 HydrophobicContact CD2-CB 4.47Å; L86-Y129 HydrophobicContact CD2-CD2 3.89Å; L86-Y129 HydrophobicContact CD2-CG 4.23Å
87	P	98.3	Very high	95.6	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-60.9	142.2	173.6	-19.9	32.5	0	0	0	110.3	F94 Y102 Y129 R132 M133	P87-F94 HydrophobicContact CB-CD2 3.87Å; P87-F94 HydrophobicContact CB-CE2 3.79Å; P87-Y102 HydrophobicContact CB-CD1 3.94Å; P87-Y102 HydrophobicContact CB-CD2 4.32Å; P87-Y102 HydrophobicContact CB-CE1 4.13Å; P87-Y102 HydrophobicContact CB-CE2 4.47Å; P87-Y102 HydrophobicContact CB-CG 4.08Å; P87-Y102 HydrophobicContact CG-CD1 3.77Å; P87-Y102 HydrophobicContact CG-CE1 4.38Å; P87-Y102 HydrophobicContact CG-CG 3.95Å; P87-Y129 VanDerWaalsContact CD-CE1 3.41Å; P87-Y129 HydrophobicContact CG-CD1 3.59Å; P87-Y129 HydrophobicContact CG-CE1 3.21Å; P87-Y129 HydrophobicContact CG-CE2 4.5Å; P87-Y129 HydrophobicContact CG-CG 4.37Å; P87-R132 HydrophobicContact CB-CB 4.14Å; P87-R132 HydrophobicContact CG-CB 4.45Å; P87-R132 WeakPolarHBondContact O-CD 3.47Å; P87-R132 PolarHBondContact O-NH1 3.35Å; P87-M133 HydrophobicContact CB-CG 4.34Å; P87-M133 HydrophobicContact CG-CG 3.79Å; P87-M133 HydrophobicContact CG-SD 4.47Å
88	P	97.9	Very high	95.2	Very high	19 Å²	19	64.4 Å²	64.4	12%	0.123	32%	0.323	C	S	.	.	P	Polyproline II helix	trans	-65.5	148.1	177	28.1	-34.4	0	0	0	110.3	E93 F94 Y102 Q136	P88-E93 HydrophobicContact CB-CB 3.71Å; P88-E93 HydrophobicContact CG-CB 3.72Å; P88-F94 VanDerWaalsContact CG-CA 3.47Å; P88-F94 HydrophobicContact CG-CB 3.91Å; P88-F94 VanDerWaalsContact CG-N 3.31Å; P88-Y102 VanDerWaalsContact CD-OH 3.23Å; P88-Y102 WeakPolarHBondContact CD-OH 3.43Å; P88-Q136 PolarHBondContact O-NE2 2.69Å; P88-Q136 VanDerWaalsContact O-NE2 3.08Å
89	W	98	Very high	94.9	Very high	122 Å²	122	64.5 Å²	64.5	46%	0.462	32%	0.324	S	S	.	.	S	Bend	trans	-71.8	-35.4	171.7	-75.2	108.8	0	0	0	111.7	P91 E131 R132 A135	W89-P91 VanDerWaalsContact O-CD 3.25Å; W89-P91 WeakPolarHBondContact O-CD 3.34Å; W89-E131 HydrophobicContact CH2-CB 3.91Å; W89-R132 HydrophobicContact CD2-CG 3.71Å; W89-R132 VanDerWaalsContact CE2-CG 3.41Å; W89-R132 HydrophobicContact CE3-CG 4.06Å; W89-R132 HydrophobicContact CG-CG 4.31Å; W89-R132 HydrophobicContact CH2-CG 3.9Å; W89-R132 HydrophobicContact CZ2-CG 3.51Å; W89-R132 HydrophobicContact CZ3-CG 4.16Å; W89-A135 HydrophobicContact CE3-CB 3.87Å; W89-A135 HydrophobicContact CZ3-CB 3.64Å
90	D	97.9	Very high	94.9	Very high	71 Å²	71	64.1 Å²	64.1	38%	0.38	32%	0.321	S	S	.	.	S	Bend	trans	-69.5	117.9	179.8	-173.1	-13.6	0	0	0	110	K92 E93 F94	D90-K92 PolarHBondContact O-N 2.94Å; D90-K92 VanDerWaalsContact O-N 3.15Å; D90-K92 WeakPolarHBondContact OD1-CB 3.45Å; D90-K92 PolarHBondContact OD1-N 2.88Å; D90-E93 HydrophobicContact CB-CB 4.33Å; D90-E93 HydrophobicContact CB-CG 4.17Å; D90-E93 PolarHBondContact O-N 2.93Å; D90-F94 PolarHBondContact O-N 3.42Å
91	P	96.9	Very high	94.9	Very high	48 Å²	48	62.2 Å²	62.2	31%	0.312	30%	0.304	S	S	.	.	H	α-helix	trans	-57.5	-28.9	176.9	-26.5	37.2	0	0	0	114	W89 E93 F94 S95 P137	W89-P91 VanDerWaalsContact O-CD 3.25Å; W89-P91 WeakPolarHBondContact O-CD 3.34Å; P91-E93 VanDerWaalsContact C-N 3.33Å; P91-F94 PolarHBondContact O-N 2.89Å; P91-S95 WeakPolarHBondContact O-CB 3.45Å; P91-S95 PolarHBondContact O-N 3.36Å; P91-S95 PolarHBondContact O-OG 3.24Å; P91-P137 HydrophobicContact CB-CG 3.78Å; P91-P137 HydrophobicContact CG-CG 3.91Å
92	K	95.3	Very high	95	Very high	166 Å²	166	60.6 Å²	60.6	72%	0.722	29%	0.293	S	S	*	.	H	α-helix	trans	-65.6	-38.9	176.8	-66.4	179	179.9	175.7	0	111.1	D90 A96	D90-K92 PolarHBondContact O-N 2.94Å; D90-K92 VanDerWaalsContact O-N 3.15Å; D90-K92 WeakPolarHBondContact OD1-CB 3.45Å; D90-K92 PolarHBondContact OD1-N 2.88Å; K92-A96 VanDerWaalsContact O-CB 3.27Å; K92-A96 WeakPolarHBondContact O-CB 3.48Å; K92-A96 PolarHBondContact O-N 2.95Å
93	E	95.6	Very high	95.2	Very high	125 Å²	125	58.3 Å²	58.3	58%	0.584	28%	0.279	S	S	*	.	H	α-helix	trans	-76.7	-38.7	176.2	-65.6	-173.9	168	0	0	111.3	P88 D90 P91 S95 A96	P88-E93 HydrophobicContact CB-CB 3.71Å; P88-E93 HydrophobicContact CG-CB 3.72Å; D90-E93 HydrophobicContact CB-CB 4.33Å; D90-E93 HydrophobicContact CB-CG 4.17Å; D90-E93 PolarHBondContact O-N 2.93Å; P91-E93 VanDerWaalsContact C-N 3.33Å; E93-S95 VanDerWaalsContact C-N 3.33Å; E93-S95 PolarHBondContact O-N 3.28Å; E93-A96 PolarHBondContact O-N 3.47Å
94	F	96.4	Very high	95.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.6	-42	179.9	-175.6	-83.6	0	0	0	112.3	P87 P88 D90 P91 N99 Y102 M133 Q136 W139	P87-F94 HydrophobicContact CB-CD2 3.87Å; P87-F94 HydrophobicContact CB-CE2 3.79Å; P88-F94 VanDerWaalsContact CG-CA 3.47Å; P88-F94 HydrophobicContact CG-CB 3.91Å; P88-F94 VanDerWaalsContact CG-N 3.31Å; D90-F94 PolarHBondContact O-N 3.42Å; P91-F94 PolarHBondContact O-N 2.89Å; F94-N99 WeakPolarHBondContact CE1-ND2 3.43Å; F94-N99 PolarHBondContact O-ND2 2.92Å; F94-Y102 AromaticContact CD2-CD2 3.86Å; F94-Y102 HydrophobicContact CD2-CD2 3.86Å; F94-Y102 AromaticContact CD2-CE2 3.7Å; F94-Y102 HydrophobicContact CD2-CE2 3.7Å; F94-Y102 HydrophobicContact CE1-CD2 4.38Å; F94-Y102 AromaticContact CE2-CD2 3.36Å; F94-Y102 HydrophobicContact CE2-CD2 3.36Å; F94-Y102 AromaticContact CE2-CE2 3.72Å; F94-Y102 HydrophobicContact CE2-CE2 3.72Å; F94-Y102 HydrophobicContact CE2-CG 4.16Å; F94-Y102 HydrophobicContact CG-CE2 4.18Å; F94-Y102 AromaticContact CZ-CD2 3.65Å; F94-Y102 HydrophobicContact CZ-CD2 3.65Å; F94-Y102 HydrophobicContact CZ-CE2 4.2Å; F94-M133 HydrophobicContact CE2-CG 4.32Å; F94-Q136 HydrophobicContact CB-CG 4.48Å; F94-Q136 VanDerWaalsContact CB-OE1 3.26Å; F94-Q136 HydrophobicContact CD1-CB 4.49Å; F94-Q136 HydrophobicContact CD1-CG 3.9Å; F94-Q136 HydrophobicContact CD2-CG 3.63Å; F94-Q136 HydrophobicContact CE1-CG 4.03Å; F94-Q136 HydrophobicContact CE2-CG 3.73Å; F94-Q136 VanDerWaalsContact CG-CD 3.48Å; F94-Q136 HydrophobicContact CG-CG 3.73Å; F94-Q136 HydrophobicContact CZ-CG 3.94Å; F94-W139 AromaticContact CE1-CD1 3.81Å; F94-W139 HydrophobicContact CE1-CG 4.48Å; F94-W139 AromaticContact CZ-CD1 3.83Å
95	S	93.4	Very high	95.9	Very high	21 Å²	21	45.2 Å²	45.2	15%	0.147	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	0.9	-175.8	63.3	0	0	0	0	114.2	P91 E93 R97 L140 K142	P91-S95 WeakPolarHBondContact O-CB 3.45Å; P91-S95 PolarHBondContact O-N 3.36Å; P91-S95 PolarHBondContact O-OG 3.24Å; E93-S95 VanDerWaalsContact C-N 3.33Å; E93-S95 PolarHBondContact O-N 3.28Å; S95-R97 VanDerWaalsContact C-N 3.29Å; S95-R97 PolarHBondContact O-N 2.99Å; S95-L140 WeakPolarHBondContact CB-O 3.35Å; S95-K142 PolarHBondContact O-N 3.42Å
96	A	89.6	Confident	96	Very high	47 Å²	47	44.7 Å²	44.7	39%	0.388	21%	0.211	S	C	.	.	S	Bend	trans	-67.1	-24.8	-174.4	0	0	0	0	0	114.5	K92 E93	K92-A96 VanDerWaalsContact O-CB 3.27Å; K92-A96 WeakPolarHBondContact O-CB 3.48Å; K92-A96 PolarHBondContact O-N 2.95Å; E93-A96 PolarHBondContact O-N 3.47Å
97	R	88.9	Confident	96	Very high	125 Å²	125	43.8 Å²	43.8	47%	0.472	21%	0.207	S	C	.	.	S	Bend	trans	-143.5	166.5	-171.3	-60.6	-175.3	-174.9	-175.2	2.4	110.2	S95 N99 V141	S95-R97 VanDerWaalsContact C-N 3.29Å; S95-R97 PolarHBondContact O-N 2.99Å; R97-N99 WeakPolarHBondContact O-CB 3.37Å; R97-N99 PolarHBondContact O-N 3.15Å; R97-V141 WeakPolarHBondContact O-CG2 3.32Å
98	W	90.1	Very high	96	Very high	87 Å²	87	43.8 Å²	43.8	33%	0.33	21%	0.207	S	C	.	.			trans	-54.7	114.9	170	-165.1	-99.7	0	0	0	110.1	E100 D147 V149 P150	W98-E100 PolarHBondContact NE1-OE2 3.35Å; W98-D147 WeakPolarHBondContact CH2-OD2 3.39Å; W98-V149 HydrophobicContact CH2-CB 3.95Å; W98-V149 HydrophobicContact CH2-CG1 3.99Å; W98-V149 HydrophobicContact CZ2-CB 4.13Å; W98-V149 HydrophobicContact CZ2-CG1 3.65Å; W98-P150 HydrophobicContact CD2-CG 4.25Å; W98-P150 HydrophobicContact CE3-CG 3.83Å; W98-P150 HydrophobicContact CH2-CG 3.68Å; W98-P150 HydrophobicContact CZ2-CG 4.09Å; W98-P150 HydrophobicContact CZ3-CG 3.53Å
99	N	92.6	Very high	96.1	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.016	20%	0.201	C	C	.	.			trans	-118.3	22	-161.2	63.7	9.4	0	0	0	113.7	F94 R97 I101 Y102 P150	F94-N99 WeakPolarHBondContact CE1-ND2 3.43Å; F94-N99 PolarHBondContact O-ND2 2.92Å; R97-N99 WeakPolarHBondContact O-CB 3.37Å; R97-N99 PolarHBondContact O-N 3.15Å; N99-I101 PolarHBondContact O-N 3.35Å; N99-Y102 HydrophobicContact CB-CD2 3.71Å; N99-Y102 HydrophobicContact CB-CE2 3.55Å; N99-Y102 WeakPolarHBondContact O-CD2 3.37Å; N99-Y102 PolarHBondContact O-N 3.04Å; N99-Y102 VanDerWaalsContact O-N 3.11Å; N99-P150 WeakPolarHBondContact OD1-CB 3.28Å
100	E	96.3	Very high	96.1	Very high	12 Å²	12	37.1 Å²	37.1	6%	0.056	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-25.9	178.7	70.6	-177.1	175.6	0	0	113.7	W98 Y102 G103 N104 H153 Y320 Q362	W98-E100 PolarHBondContact NE1-OE2 3.35Å; E100-Y102 PolarHBondContact O-N 3.41Å; E100-Y102 VanDerWaalsContact O-N 3.13Å; E100-G103 PolarHBondContact O-N 3.26Å; E100-N104 WeakPolarHBondContact O-CB 3.4Å; E100-N104 PolarHBondContact O-N 3.07Å; E100-N104 PolarHBondContact O-ND2 3.16Å; E100-H153 HydrophobicContact CB-CB 3.95Å; E100-H153 IonicContact OE2-CE1 3.86Å; E100-H153 IonicContact OE2-NE2 2.81Å; E100-Y320 PolarHBondContact OE2-OH 3.29Å; E100-Q362 VanDerWaalsContact OE1-CG 3.24Å; E100-Q362 WeakPolarHBondContact OE1-CG 3.32Å; E100-Q362 PolarHBondContact OE1-NE2 2.92Å
101	I	97.8	Very high	96.2	Very high	28 Å²	28	33.7 Å²	33.7	14%	0.144	16%	0.161	C	C	.	.	H	α-helix	trans	-50.6	-35.7	176.1	-171.7	169.2	0	0	0	112.6	N99 N104 N105 K360	N99-I101 PolarHBondContact O-N 3.35Å; I101-N104 PolarHBondContact O-N 3.33Å; I101-N105 VanDerWaalsContact CG1-ND2 3.28Å; I101-N105 WeakPolarHBondContact CG1-ND2 3.35Å; I101-N105 WeakPolarHBondContact O-CB 3.05Å; I101-N105 PolarHBondContact O-N 2.96Å; I101-K360 HydrophobicContact CD1-CD 4.15Å; I101-K360 HydrophobicContact CD1-CG 3.9Å
102	Y	98.4	Very high	96.3	Very high	39 Å²	39	31.9 Å²	31.9	15%	0.153	15%	0.148	C	C	.	.	H	α-helix	trans	-67.9	-50.3	-173.5	-58.5	-39.9	0	0	0	112	P87 P88 F94 N99 E100 L106 Y129	P87-Y102 HydrophobicContact CB-CD1 3.94Å; P87-Y102 HydrophobicContact CB-CD2 4.32Å; P87-Y102 HydrophobicContact CB-CE1 4.13Å; P87-Y102 HydrophobicContact CB-CE2 4.47Å; P87-Y102 HydrophobicContact CB-CG 4.08Å; P87-Y102 HydrophobicContact CG-CD1 3.77Å; P87-Y102 HydrophobicContact CG-CE1 4.38Å; P87-Y102 HydrophobicContact CG-CG 3.95Å; P88-Y102 VanDerWaalsContact CD-OH 3.23Å; P88-Y102 WeakPolarHBondContact CD-OH 3.43Å; F94-Y102 AromaticContact CD2-CD2 3.86Å; F94-Y102 HydrophobicContact CD2-CD2 3.86Å; F94-Y102 AromaticContact CD2-CE2 3.7Å; F94-Y102 HydrophobicContact CD2-CE2 3.7Å; F94-Y102 HydrophobicContact CE1-CD2 4.38Å; F94-Y102 AromaticContact CE2-CD2 3.36Å; F94-Y102 HydrophobicContact CE2-CD2 3.36Å; F94-Y102 AromaticContact CE2-CE2 3.72Å; F94-Y102 HydrophobicContact CE2-CE2 3.72Å; F94-Y102 HydrophobicContact CE2-CG 4.16Å; F94-Y102 HydrophobicContact CG-CE2 4.18Å; F94-Y102 AromaticContact CZ-CD2 3.65Å; F94-Y102 HydrophobicContact CZ-CD2 3.65Å; F94-Y102 HydrophobicContact CZ-CE2 4.2Å; N99-Y102 HydrophobicContact CB-CD2 3.71Å; N99-Y102 HydrophobicContact CB-CE2 3.55Å; N99-Y102 WeakPolarHBondContact O-CD2 3.37Å; N99-Y102 PolarHBondContact O-N 3.04Å; N99-Y102 VanDerWaalsContact O-N 3.11Å; E100-Y102 PolarHBondContact O-N 3.41Å; E100-Y102 VanDerWaalsContact O-N 3.13Å; Y102-L106 VanDerWaalsContact O-CB 3.29Å; Y102-L106 WeakPolarHBondContact O-CB 3.49Å; Y102-L106 PolarHBondContact O-N 2.94Å; Y102-Y129 WeakPolarHBondContact CA-OH 3.3Å; Y102-Y129 WeakPolarHBondContact O-CE1 3.48Å; Y102-Y129 PolarHBondContact O-OH 2.9Å
103	G	98.4	Very high	96.5	Very high	2 Å²	2	24 Å²	24	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-67.8	-38.7	174.5	0	0	0	0	0	112.7	E100 L106 G107 H153 G157	E100-G103 PolarHBondContact O-N 3.26Å; G103-L106 PolarHBondContact O-N 3.39Å; G103-G107 PolarHBondContact O-N 2.98Å; G103-H153 WeakPolarHBondContact CA-O 3.49Å; G103-G157 WeakPolarHBondContact O-CA 3.42Å
104	N	98.6	Very high	96.6	Very high	3 Å²	3	18.3 Å²	18.3	2%	0.016	9%	0.087	C	C	.	.	H	α-helix	trans	-62.5	-47.4	-177	-73.1	-12	0	0	0	112.7	E100 I101 H153 G361 C365	E100-N104 WeakPolarHBondContact O-CB 3.4Å; E100-N104 PolarHBondContact O-N 3.07Å; E100-N104 PolarHBondContact O-ND2 3.16Å; I101-N104 PolarHBondContact O-N 3.33Å; N104-H153 PolarHBondContact ND2-ND1 3.18Å; N104-H153 PolarHBondContact OD1-CE1 3.22Å; N104-H153 VanDerWaalsContact OD1-CE1 3.31Å; N104-H153 PolarHBondContact OD1-ND1 3.25Å; N104-G361 WeakPolarHBondContact CB-O 2.95Å; N104-G361 PolarHBondContact ND2-O 3.3Å; N104-C365 HydrophobicContact CB-CB 3.84Å; N104-C365 VanDerWaalsContact CG-SG 3.52Å; N104-C365 PolarHBondContact OD1-SG 2.84Å
105	N	98.8	Very high	96.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-75.2	-30.3	-178.7	-70.9	-8.4	0	0	0	112.4	M78 I101 G107 A108 L109	M78-N105 HydrophobicContact SD-CB 3.85Å; I101-N105 VanDerWaalsContact CG1-ND2 3.28Å; I101-N105 WeakPolarHBondContact CG1-ND2 3.35Å; I101-N105 WeakPolarHBondContact O-CB 3.05Å; I101-N105 PolarHBondContact O-N 2.96Å; N105-G107 VanDerWaalsContact C-N 3.3Å; N105-G107 PolarHBondContact O-N 3.47Å; N105-A108 PolarHBondContact O-N 3.19Å; N105-L109 PolarHBondContact O-N 3Å
106	L	98.9	Very high	97	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-36.7	177.7	-179.9	58.2	0	0	0	112.2	Y102 G103 L109 A110 Y129 M130 M133 F158 A161	Y102-L106 VanDerWaalsContact O-CB 3.29Å; Y102-L106 WeakPolarHBondContact O-CB 3.49Å; Y102-L106 PolarHBondContact O-N 2.94Å; G103-L106 PolarHBondContact O-N 3.39Å; L106-L109 PolarHBondContact O-N 3.14Å; L106-A110 VanDerWaalsContact O-CB 3.3Å; L106-A110 WeakPolarHBondContact O-CB 3.37Å; L106-A110 PolarHBondContact O-N 3.29Å; L106-Y129 HydrophobicContact CB-CD1 4.26Å; L106-Y129 HydrophobicContact CB-CE1 4.13Å; L106-Y129 HydrophobicContact CD1-CD1 4.07Å; L106-Y129 HydrophobicContact CD1-CG 4.19Å; L106-Y129 HydrophobicContact CD2-CD1 4.34Å; L106-Y129 HydrophobicContact CG-CD1 4.45Å; L106-M130 HydrophobicContact CD1-CG 4.03Å; L106-M130 HydrophobicContact CD2-CG 4.09Å; L106-M133 HydrophobicContact CD2-SD 3.69Å; L106-F158 HydrophobicContact CD2-CB 4.33Å; L106-F158 HydrophobicContact CD2-CD2 4.15Å; L106-A161 HydrophobicContact CD1-CB 3.84Å; L106-A161 HydrophobicContact CD2-CB 3.94Å; L106-A161 HydrophobicContact CG-CB 3.66Å
107	G	98.5	Very high	97.3	Very high	2 Å²	2	19.4 Å²	19.4	2%	0.021	8%	0.083	C	C	.	.	H	α-helix	trans	-61.9	-43.7	174.8	0	0	0	0	0	113.2	G103 N105 M111	G103-G107 PolarHBondContact O-N 2.98Å; N105-G107 VanDerWaalsContact C-N 3.3Å; N105-G107 PolarHBondContact O-N 3.47Å; G107-M111 PolarHBondContact O-N 3.38Å; G107-M111 VanDerWaalsContact O-N 3.09Å
108	A	98.8	Very high	97.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-65.3	-45.4	175.6	0	0	0	0	0	111.9	L71 N105 A110 M111 F112 W364	L71-A108 HydrophobicContact CD2-CB 3.89Å; N105-A108 PolarHBondContact O-N 3.19Å; A108-A110 PolarHBondContact O-N 3.35Å; A108-M111 PolarHBondContact O-N 3.29Å; A108-F112 PolarHBondContact O-N 2.91Å; A108-W364 HydrophobicContact CB-CB 4.28Å
109	L	98.9	Very high	98.1	Very high	0 Å²	0	18 Å²	18	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-61	-43.7	177.6	179	58.9	0	0	0	112.2	V75 M78 N105 L106 F112 C113 A122 M125 A126 Y129	V75-L109 HydrophobicContact CB-CD1 4.42Å; V75-L109 HydrophobicContact CG1-CD1 3.77Å; V75-L109 HydrophobicContact CG2-CB 4.48Å; V75-L109 HydrophobicContact CG2-CD1 3.79Å; M78-L109 HydrophobicContact CE-CB 3.95Å; M78-L109 HydrophobicContact CE-CD1 4.47Å; N105-L109 PolarHBondContact O-N 3Å; L106-L109 PolarHBondContact O-N 3.14Å; L109-F112 PolarHBondContact O-N 3.3Å; L109-C113 PolarHBondContact O-N 2.98Å; L109-C113 PolarHBondContact O-SG 3.16Å; L109-A122 HydrophobicContact CD1-CB 4.38Å; L109-M125 HydrophobicContact CD2-CG 4.31Å; L109-A126 HydrophobicContact CD2-CB 3.84Å; L109-A126 HydrophobicContact CG-CB 3.94Å; L109-Y129 HydrophobicContact CD2-CD2 4.14Å
110	A	98.9	Very high	98.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-64.4	-43.5	177.9	0	0	0	0	0	112	L106 A108 F112 C113 V114 A161 F164 L165	L106-A110 VanDerWaalsContact O-CB 3.3Å; L106-A110 WeakPolarHBondContact O-CB 3.37Å; L106-A110 PolarHBondContact O-N 3.29Å; A108-A110 PolarHBondContact O-N 3.35Å; A110-F112 VanDerWaalsContact C-N 3.34Å; A110-F112 PolarHBondContact O-N 2.96Å; A110-C113 PolarHBondContact O-N 3.37Å; A110-V114 WeakPolarHBondContact O-CG2 3.25Å; A110-V114 PolarHBondContact O-N 3.4Å; A110-V114 VanDerWaalsContact O-N 3.1Å; A110-A161 HydrophobicContact CB-CB 3.71Å; A110-F164 HydrophobicContact CB-CB 4.26Å; A110-F164 HydrophobicContact CB-CD2 4.13Å; A110-L165 HydrophobicContact CB-CD1 4.2Å; A110-L165 HydrophobicContact CB-CG 4.22Å
111	M	98.9	Very high	98.5	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-43.3	176.4	-171.5	67.4	-150.3	0	0	111.5	F48 L56 L71 G107 A108 C113 V114 L115 F164 H368 F371 L372	F48-M111 HydrophobicContact CE1-SD 4.31Å; L56-M111 HydrophobicContact CD1-CE 4.42Å; L71-M111 HydrophobicContact CD1-CG 3.99Å; L71-M111 HydrophobicContact CD2-CB 4.48Å; G107-M111 PolarHBondContact O-N 3.38Å; G107-M111 VanDerWaalsContact O-N 3.09Å; A108-M111 PolarHBondContact O-N 3.29Å; M111-C113 VanDerWaalsContact C-N 3.31Å; M111-C113 PolarHBondContact O-N 3.48Å; M111-V114 WeakPolarHBondContact O-CB 3.35Å; M111-V114 PolarHBondContact O-N 3.5Å; M111-V114 VanDerWaalsContact O-N 3.15Å; M111-L115 HydrophobicContact CE-CD1 4.05Å; M111-L115 HydrophobicContact CE-CD2 3.65Å; M111-L115 HydrophobicContact CE-CG 3.78Å; M111-L115 HydrophobicContact CG-CD1 4.44Å; M111-L115 WeakPolarHBondContact O-CG 3.26Å; M111-L115 PolarHBondContact O-N 3.01Å; M111-L115 VanDerWaalsContact O-N 3.12Å; M111-F164 HydrophobicContact CB-CD2 4.46Å; M111-F164 HydrophobicContact CB-CE2 4.17Å; M111-F164 HydrophobicContact SD-CD2 4.29Å; M111-F164 HydrophobicContact SD-CE2 3.62Å; M111-F164 HydrophobicContact SD-CZ 4.3Å; M111-H368 HydrophobicContact CB-CB 3.59Å; M111-H368 HydrophobicContact CG-CB 3.87Å; M111-H368 HydrophobicContact SD-CB 4.49Å; M111-F371 HydrophobicContact CE-CD1 3.52Å; M111-F371 HydrophobicContact CE-CE1 3.74Å; M111-F371 HydrophobicContact CE-CG 4.43Å; M111-L372 HydrophobicContact CE-CD2 4.12Å; M111-L372 HydrophobicContact SD-CD1 4.38Å; M111-L372 HydrophobicContact SD-CD2 4.39Å; M111-L372 HydrophobicContact SD-CG 4.36Å
112	F	98.9	Very high	98.5	Very high	10 Å²	10	26.6 Å²	26.6	4%	0.044	13%	0.129	C	C	.	.	H	α-helix	trans	-56.9	-45	174.7	177	-86.4	0	0	0	111.8	T72 V75 A108 L109 A110 V114 L115 Y116 N119 A122	T72-F112 HydrophobicContact CG2-CE2 4.09Å; V75-F112 HydrophobicContact CB-CB 4.46Å; V75-F112 HydrophobicContact CB-CD1 4.16Å; V75-F112 HydrophobicContact CB-CD2 4.09Å; V75-F112 HydrophobicContact CB-CE1 4.46Å; V75-F112 HydrophobicContact CB-CE2 4.4Å; V75-F112 HydrophobicContact CB-CG 3.97Å; V75-F112 HydrophobicContact CG1-CD1 3.77Å; V75-F112 HydrophobicContact CG1-CE1 3.88Å; V75-F112 HydrophobicContact CG1-CG 4.12Å; V75-F112 HydrophobicContact CG1-CZ 4.3Å; V75-F112 HydrophobicContact CG2-CB 3.56Å; V75-F112 HydrophobicContact CG2-CD1 4.05Å; V75-F112 HydrophobicContact CG2-CD2 4.03Å; V75-F112 HydrophobicContact CG2-CG 3.61Å; A108-F112 PolarHBondContact O-N 2.91Å; L109-F112 PolarHBondContact O-N 3.3Å; A110-F112 VanDerWaalsContact C-N 3.34Å; A110-F112 PolarHBondContact O-N 2.96Å; F112-V114 VanDerWaalsContact C-N 3.27Å; F112-V114 PolarHBondContact O-N 3.39Å; F112-L115 PolarHBondContact O-N 3.47Å; F112-L115 VanDerWaalsContact O-N 3.11Å; F112-Y116 HydrophobicContact CD1-CD2 4.34Å; F112-Y116 AromaticContact CD2-CD2 3.48Å; F112-Y116 HydrophobicContact CD2-CD2 3.48Å; F112-Y116 VanDerWaalsContact CD2-CD2 3.48Å; F112-Y116 AromaticContact CD2-CE2 3.79Å; F112-Y116 HydrophobicContact CD2-CE2 3.79Å; F112-Y116 HydrophobicContact CE1-CD2 4.21Å; F112-Y116 AromaticContact CE2-CD2 3.3Å; F112-Y116 HydrophobicContact CE2-CD2 3.3Å; F112-Y116 AromaticContact CE2-CE2 3.66Å; F112-Y116 HydrophobicContact CE2-CE2 3.66Å; F112-Y116 HydrophobicContact CE2-CG 4.17Å; F112-Y116 AromaticContact CG-CD2 4Å; F112-Y116 HydrophobicContact CG-CD2 4Å; F112-Y116 AromaticContact CZ-CD2 3.7Å; F112-Y116 HydrophobicContact CZ-CD2 3.7Å; F112-Y116 HydrophobicContact CZ-CE2 4.45Å; F112-Y116 HydrophobicContact CZ-CG 4.16Å; F112-Y116 WeakPolarHBondContact O-CD2 3.49Å; F112-Y116 PolarHBondContact O-N 3.32Å; F112-N119 HydrophobicContact CE1-CB 4.07Å; F112-A122 HydrophobicContact CD1-CB 3.95Å; F112-A122 HydrophobicContact CE1-CB 3.73Å
113	C	98.9	Very high	98.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-64.8	-29.5	178.8	-67	0	0	0	0	113.1	L109 A110 M111 I123 L165	L109-C113 PolarHBondContact O-N 2.98Å; L109-C113 PolarHBondContact O-SG 3.16Å; A110-C113 PolarHBondContact O-N 3.37Å; M111-C113 VanDerWaalsContact C-N 3.31Å; M111-C113 PolarHBondContact O-N 3.48Å; C113-I123 HydrophobicContact CB-CG1 4.03Å; C113-L165 HydrophobicContact CB-CD2 3.59Å
114	V	98.8	Very high	98.5	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.03	15%	0.145	C	C	.	.	H	α-helix	trans	-66.8	-43.5	171.8	171.3	0	0	0	0	110.9	F48 V53 R57 A110 M111 F112 F164	F48-V114 HydrophobicContact CE2-CG1 4.12Å; F48-V114 HydrophobicContact CZ-CG1 4.02Å; F48-V114 HydrophobicContact CZ-CG2 4.37Å; V53-V114 HydrophobicContact CG1-CG1 4.09Å; V53-V114 HydrophobicContact CG2-CG1 4.49Å; R57-V114 PolarHBondContact NE-O 3.43Å; R57-V114 PolarHBondContact NH2-O 3.4Å; A110-V114 WeakPolarHBondContact O-CG2 3.25Å; A110-V114 PolarHBondContact O-N 3.4Å; A110-V114 VanDerWaalsContact O-N 3.1Å; M111-V114 WeakPolarHBondContact O-CB 3.35Å; M111-V114 PolarHBondContact O-N 3.5Å; M111-V114 VanDerWaalsContact O-N 3.15Å; F112-V114 VanDerWaalsContact C-N 3.27Å; F112-V114 PolarHBondContact O-N 3.39Å; V114-F164 HydrophobicContact CG2-CB 3.72Å; V114-F164 HydrophobicContact CG2-CD2 4.11Å; V114-F164 HydrophobicContact CG2-CG 4.08Å
115	L	98.8	Very high	98.5	Very high	6 Å²	6	30 Å²	30	3%	0.031	15%	0.148	C	C	.	.	H	α-helix	trans	-73.4	-35.6	-177.7	-62.8	179.5	0	0	0	113	L56 A60 L71 M111 F112 P117 F371	L56-L115 HydrophobicContact CB-CD2 4.05Å; A60-L115 HydrophobicContact CB-CB 4.5Å; A60-L115 HydrophobicContact CB-CD1 4.07Å; A60-L115 HydrophobicContact CB-CD2 4.09Å; A60-L115 HydrophobicContact CB-CG 4.44Å; L71-L115 HydrophobicContact CD1-CD1 4.05Å; M111-L115 HydrophobicContact CE-CD1 4.05Å; M111-L115 HydrophobicContact CE-CD2 3.65Å; M111-L115 HydrophobicContact CE-CG 3.78Å; M111-L115 HydrophobicContact CG-CD1 4.44Å; M111-L115 WeakPolarHBondContact O-CG 3.26Å; M111-L115 PolarHBondContact O-N 3.01Å; M111-L115 VanDerWaalsContact O-N 3.12Å; F112-L115 PolarHBondContact O-N 3.47Å; F112-L115 VanDerWaalsContact O-N 3.11Å; L115-P117 WeakPolarHBondContact O-CD 3.37Å; L115-F371 HydrophobicContact CD1-CD1 4.42Å; L115-F371 HydrophobicContact CD1-CD2 4.23Å; L115-F371 HydrophobicContact CD1-CE1 4.1Å; L115-F371 HydrophobicContact CD1-CE2 3.89Å; L115-F371 HydrophobicContact CD1-CG 4.49Å; L115-F371 HydrophobicContact CD1-CZ 3.83Å; L115-F371 HydrophobicContact CD2-CE1 3.74Å; L115-F371 HydrophobicContact CD2-CZ 3.75Å; L115-F371 HydrophobicContact CG-CZ 4.45Å
116	Y	98.6	Very high	98.5	Very high	57 Å²	57	30 Å²	30	22%	0.224	15%	0.148	C	C	.	.			trans	-126.3	66	-174.8	-55.3	-72.3	0	0	0	111.2	F112 E118 N119	F112-Y116 HydrophobicContact CD1-CD2 4.34Å; F112-Y116 AromaticContact CD2-CD2 3.48Å; F112-Y116 HydrophobicContact CD2-CD2 3.48Å; F112-Y116 VanDerWaalsContact CD2-CD2 3.48Å; F112-Y116 AromaticContact CD2-CE2 3.79Å; F112-Y116 HydrophobicContact CD2-CE2 3.79Å; F112-Y116 HydrophobicContact CE1-CD2 4.21Å; F112-Y116 AromaticContact CE2-CD2 3.3Å; F112-Y116 HydrophobicContact CE2-CD2 3.3Å; F112-Y116 AromaticContact CE2-CE2 3.66Å; F112-Y116 HydrophobicContact CE2-CE2 3.66Å; F112-Y116 HydrophobicContact CE2-CG 4.17Å; F112-Y116 AromaticContact CG-CD2 4Å; F112-Y116 HydrophobicContact CG-CD2 4Å; F112-Y116 AromaticContact CZ-CD2 3.7Å; F112-Y116 HydrophobicContact CZ-CD2 3.7Å; F112-Y116 HydrophobicContact CZ-CE2 4.45Å; F112-Y116 HydrophobicContact CZ-CG 4.16Å; F112-Y116 WeakPolarHBondContact O-CD2 3.49Å; F112-Y116 PolarHBondContact O-N 3.32Å; Y116-E118 PolarHBondContact O-N 3.29Å; Y116-E118 VanDerWaalsContact O-N 3.16Å; Y116-N119 WeakPolarHBondContact O-CB 3.28Å; Y116-N119 PolarHBondContact O-N 3.36Å
117	P	97.8	Very high	98.5	Very high	28 Å²	28	32.5 Å²	32.5	18%	0.182	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19	-175.2	32.9	-43.6	0	0	0	114.4	R57 L115 N119 I123 Y168	R57-P117 VanDerWaalsContact CZ-CG 3.49Å; R57-P117 VanDerWaalsContact NH2-CG 3.3Å; L115-P117 WeakPolarHBondContact O-CD 3.37Å; P117-N119 PolarHBondContact O-N 2.6Å; P117-I123 VanDerWaalsContact O-CD1 3.24Å; P117-I123 WeakPolarHBondContact O-CD1 3.16Å; P117-Y168 VanDerWaalsContact CB-OH 3.28Å; P117-Y168 WeakPolarHBondContact CB-OH 3.4Å
118	E	97.6	Very high	98.5	Very high	133 Å²	133	34.9 Å²	34.9	62%	0.621	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-18.2	175.2	67	-76	175.2	0	0	112.9	Y116 I120	Y116-E118 PolarHBondContact O-N 3.29Å; Y116-E118 VanDerWaalsContact O-N 3.16Å; E118-I120 VanDerWaalsContact C-N 3.32Å; E118-I120 PolarHBondContact O-N 3.14Å
119	N	98.1	Very high	98.5	Very high	49 Å²	49	34.9 Å²	34.9	26%	0.262	17%	0.171	S	C	.	.			trans	-80.5	81	176.5	-165.9	-37.1	0	0	0	110.8	F112 Y116 P117 E121 A122 I123	F112-N119 HydrophobicContact CE1-CB 4.07Å; Y116-N119 WeakPolarHBondContact O-CB 3.28Å; Y116-N119 PolarHBondContact O-N 3.36Å; P117-N119 PolarHBondContact O-N 2.6Å; N119-E121 PolarHBondContact O-N 2.96Å; N119-E121 PolarHBondContact OD1-N 3.39Å; N119-A122 HydrophobicContact CB-CB 4.27Å; N119-A122 PolarHBondContact O-N 3.22Å; N119-A122 WeakPolarHBondContact OD1-CB 3.22Å; N119-A122 PolarHBondContact OD1-N 2.87Å; N119-I123 PolarHBondContact O-N 2.89Å
120	I	97.6	Very high	98.5	Very high	98 Å²	98	34.9 Å²	34.9	50%	0.503	17%	0.171	S	C	.	.	H	α-helix	trans	-63.3	-30.6	-178.6	-56.8	-54	0	0	0	112.2	E118 I123 N124	E118-I120 VanDerWaalsContact C-N 3.32Å; E118-I120 PolarHBondContact O-N 3.14Å; I120-I123 HydrophobicContact CD1-CD1 4.36Å; I120-I123 PolarHBondContact O-N 3.28Å; I120-N124 WeakPolarHBondContact O-CB 3.45Å; I120-N124 VanDerWaalsContact O-CG 3.22Å; I120-N124 PolarHBondContact O-N 3.35Å; I120-N124 PolarHBondContact O-ND2 3.48Å
121	E	98.1	Very high	98.5	Very high	127 Å²	127	36.6 Å²	36.6	59%	0.593	18%	0.179	S	C	*	.	H	α-helix	trans	-62.9	-48.4	176.7	-176.7	174.5	-155.8	0	0	111.3	V79 N119 I123 N124 M125	V79-E121 HydrophobicContact CG1-CG 3.86Å; V79-E121 WeakPolarHBondContact CG1-OE1 2.98Å; N119-E121 PolarHBondContact O-N 2.96Å; N119-E121 PolarHBondContact OD1-N 3.39Å; E121-I123 PolarHBondContact O-N 2.89Å; E121-N124 PolarHBondContact O-N 3.3Å; E121-M125 PolarHBondContact O-N 3.15Å
122	A	98.4	Very high	98.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63	-40.1	176	0	0	0	0	0	112.1	V75 L109 F112 N119 M125 A126	V75-A122 HydrophobicContact CG1-CB 4.03Å; L109-A122 HydrophobicContact CD1-CB 4.38Å; F112-A122 HydrophobicContact CD1-CB 3.95Å; F112-A122 HydrophobicContact CE1-CB 3.73Å; N119-A122 HydrophobicContact CB-CB 4.27Å; N119-A122 PolarHBondContact O-N 3.22Å; N119-A122 WeakPolarHBondContact OD1-CB 3.22Å; N119-A122 PolarHBondContact OD1-N 2.87Å; A122-M125 PolarHBondContact O-N 3.44Å; A122-A126 WeakPolarHBondContact O-CB 3.43Å; A122-A126 PolarHBondContact O-N 3.46Å
123	I	98.6	Very high	98.5	Very high	8 Å²	8	38 Å²	38	4%	0.041	18%	0.184	C	C	.	.	H	α-helix	trans	-63.1	-42.9	175.8	-68.9	170.4	0	0	0	111.1	C113 P117 N119 I120 E121 A126 K127 Y168	C113-I123 HydrophobicContact CB-CG1 4.03Å; P117-I123 VanDerWaalsContact O-CD1 3.24Å; P117-I123 WeakPolarHBondContact O-CD1 3.16Å; N119-I123 PolarHBondContact O-N 2.89Å; I120-I123 HydrophobicContact CD1-CD1 4.36Å; I120-I123 PolarHBondContact O-N 3.28Å; E121-I123 PolarHBondContact O-N 2.89Å; I123-A126 PolarHBondContact O-N 3.09Å; I123-K127 HydrophobicContact CG2-CD 4.42Å; I123-K127 WeakPolarHBondContact O-CG 3.42Å; I123-K127 PolarHBondContact O-N 2.73Å; I123-Y168 HydrophobicContact CD1-CD1 4.23Å; I123-Y168 HydrophobicContact CD1-CE1 4.18Å
124	N	98.4	Very high	98.5	Very high	91 Å²	91	38.4 Å²	38.4	49%	0.487	19%	0.188	S	C	.	.	H	α-helix	trans	-66.4	-40.6	177.4	-73.8	-22.6	0	0	0	111.4	I120 E121 A126 K127 D128	I120-N124 WeakPolarHBondContact O-CB 3.45Å; I120-N124 VanDerWaalsContact O-CG 3.22Å; I120-N124 PolarHBondContact O-N 3.35Å; I120-N124 PolarHBondContact O-ND2 3.48Å; E121-N124 PolarHBondContact O-N 3.3Å; N124-A126 VanDerWaalsContact C-N 3.35Å; N124-K127 PolarHBondContact O-N 3.32Å; N124-D128 PolarHBondContact O-N 3.11Å
125	M	98.6	Very high	98.5	Very high	16 Å²	16	40.1 Å²	40.1	8%	0.079	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-45.2	172.5	-175.8	177.7	-174.1	0	0	111.1	M78 V79 P82 L86 L109 E121 A122 K127 D128 Y129	M78-M125 HydrophobicContact CB-CE 3.77Å; M78-M125 HydrophobicContact CB-SD 4.18Å; V79-M125 HydrophobicContact CB-SD 4.37Å; V79-M125 HydrophobicContact CG2-SD 3.65Å; P82-M125 HydrophobicContact CB-CE 4.22Å; L86-M125 HydrophobicContact CD2-CE 4.2Å; L86-M125 HydrophobicContact CD2-CG 4.25Å; L86-M125 HydrophobicContact CG-CE 4.1Å; L109-M125 HydrophobicContact CD2-CG 4.31Å; E121-M125 PolarHBondContact O-N 3.15Å; A122-M125 PolarHBondContact O-N 3.44Å; M125-K127 VanDerWaalsContact C-N 3.31Å; M125-K127 PolarHBondContact O-N 3.41Å; M125-D128 PolarHBondContact O-N 3.07Å; M125-Y129 WeakPolarHBondContact O-CB 3.5Å; M125-Y129 PolarHBondContact O-N 3.41Å
126	A	98.8	Very high	98.5	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-60.7	-40.3	178.2	0	0	0	0	0	112.1	L109 A122 I123 N124 Y129 M130 L165	L109-A126 HydrophobicContact CD2-CB 3.84Å; L109-A126 HydrophobicContact CG-CB 3.94Å; A122-A126 WeakPolarHBondContact O-CB 3.43Å; A122-A126 PolarHBondContact O-N 3.46Å; I123-A126 PolarHBondContact O-N 3.09Å; N124-A126 VanDerWaalsContact C-N 3.35Å; A126-Y129 WeakPolarHBondContact O-CB 3.46Å; A126-Y129 PolarHBondContact O-N 3.43Å; A126-M130 WeakPolarHBondContact O-CG 3.48Å; A126-M130 PolarHBondContact O-N 3.02Å; A126-L165 HydrophobicContact CB-CD1 3.7Å
127	K	98.8	Very high	98.3	Very high	52 Å²	52	43.2 Å²	43.2	23%	0.226	23%	0.229	C	C	.	.	H	α-helix	trans	-62.9	-47.7	173.9	-72.2	173.6	178	-177.3	0	112	I123 N124 M125 Y129 M130 E131 Y168 L169	I123-K127 HydrophobicContact CG2-CD 4.42Å; I123-K127 WeakPolarHBondContact O-CG 3.42Å; I123-K127 PolarHBondContact O-N 2.73Å; N124-K127 PolarHBondContact O-N 3.32Å; M125-K127 VanDerWaalsContact C-N 3.31Å; M125-K127 PolarHBondContact O-N 3.41Å; K127-Y129 VanDerWaalsContact C-N 3.31Å; K127-Y129 PolarHBondContact O-N 2.86Å; K127-M130 PolarHBondContact O-N 3.1Å; K127-E131 VanDerWaalsContact O-CG 3.3Å; K127-E131 WeakPolarHBondContact O-CG 3.29Å; K127-E131 PolarHBondContact O-N 3.28Å; K127-Y168 WeakPolarHBondContact CE-O 3.42Å; K127-Y168 PolarHBondContact NZ-O 3.23Å; K127-L169 HydrophobicContact CG-CD2 4.19Å
128	D	98.7	Very high	98.2	Very high	52 Å²	52	44.6 Å²	44.6	28%	0.278	24%	0.239	S	C	.	.	H	α-helix	trans	-62.2	-40.2	177.1	-171.2	45.5	0	0	0	111.5	L86 N124 M125 M130 E131 R132	L86-D128 WeakPolarHBondContact CD1-OD2 3.32Å; L86-D128 HydrophobicContact CD2-CB 4.47Å; N124-D128 PolarHBondContact O-N 3.11Å; M125-D128 PolarHBondContact O-N 3.07Å; D128-M130 PolarHBondContact O-N 3.1Å; D128-E131 PolarHBondContact O-N 2.89Å; D128-R132 VanDerWaalsContact CG-NE 3.32Å; D128-R132 VanDerWaalsContact O-CD 3.29Å; D128-R132 WeakPolarHBondContact O-CD 3.49Å; D128-R132 VanDerWaalsContact O-CG 3.3Å; D128-R132 WeakPolarHBondContact O-CG 3.35Å; D128-R132 PolarHBondContact O-N 3.49Å; D128-R132 IonicContact OD1-NE 3.13Å; D128-R132 PolarHBondContact OD1-NE 3.33Å; D128-R132 IonicContact OD2-CZ 3.43Å; D128-R132 IonicContact OD2-NE 2.75Å; D128-R132 PolarHBondContact OD2-NE 2.73Å; D128-R132 IonicContact OD2-NH2 2.97Å; D128-R132 PolarHBondContact OD2-NH2 3.47Å
129	Y	98.8	Very high	98.2	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56	-51.9	174.5	-151.9	-61.6	0	0	0	111.4	Y85 L86 P87 Y102 L106 L109 M125 A126 K127 R132 M133	Y85-Y129 WeakPolarHBondContact O-CE2 3.46Å; Y85-Y129 PolarHBondContact O-OH 2.98Å; L86-Y129 HydrophobicContact CD2-CD2 3.89Å; L86-Y129 HydrophobicContact CD2-CG 4.23Å; P87-Y129 VanDerWaalsContact CD-CE1 3.41Å; P87-Y129 HydrophobicContact CG-CD1 3.59Å; P87-Y129 HydrophobicContact CG-CE1 3.21Å; P87-Y129 HydrophobicContact CG-CE2 4.5Å; P87-Y129 HydrophobicContact CG-CG 4.37Å; Y102-Y129 WeakPolarHBondContact CA-OH 3.3Å; Y102-Y129 WeakPolarHBondContact O-CE1 3.48Å; Y102-Y129 PolarHBondContact O-OH 2.9Å; L106-Y129 HydrophobicContact CB-CD1 4.26Å; L106-Y129 HydrophobicContact CB-CE1 4.13Å; L106-Y129 HydrophobicContact CD1-CD1 4.07Å; L106-Y129 HydrophobicContact CD1-CG 4.19Å; L106-Y129 HydrophobicContact CD2-CD1 4.34Å; L106-Y129 HydrophobicContact CG-CD1 4.45Å; L109-Y129 HydrophobicContact CD2-CD2 4.14Å; M125-Y129 WeakPolarHBondContact O-CB 3.5Å; M125-Y129 PolarHBondContact O-N 3.41Å; A126-Y129 WeakPolarHBondContact O-CB 3.46Å; A126-Y129 PolarHBondContact O-N 3.43Å; K127-Y129 VanDerWaalsContact C-N 3.31Å; K127-Y129 PolarHBondContact O-N 2.86Å; Y129-R132 PolarHBondContact O-N 2.63Å; Y129-M133 HydrophobicContact CD1-CG 4.28Å; Y129-M133 HydrophobicContact CD1-SD 3.85Å; Y129-M133 HydrophobicContact CE1-CG 4.4Å; Y129-M133 HydrophobicContact CE1-SD 3.78Å; Y129-M133 PolarHBondContact O-N 3.01Å; Y129-M133 VanDerWaalsContact O-N 3.17Å
130	M	98.9	Very high	98.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-65	-40.8	178.4	-68.9	-178.5	79.1	0	0	111.6	L106 A126 K127 D128 R132 M133 A134 F158 A161 L165 F177	L106-M130 HydrophobicContact CD1-CG 4.03Å; L106-M130 HydrophobicContact CD2-CG 4.09Å; A126-M130 WeakPolarHBondContact O-CG 3.48Å; A126-M130 PolarHBondContact O-N 3.02Å; K127-M130 PolarHBondContact O-N 3.1Å; D128-M130 PolarHBondContact O-N 3.1Å; M130-R132 VanDerWaalsContact C-N 3.32Å; M130-R132 PolarHBondContact O-N 3.38Å; M130-M133 PolarHBondContact O-N 3.36Å; M130-A134 WeakPolarHBondContact O-CB 3.12Å; M130-A134 PolarHBondContact O-N 2.98Å; M130-F158 HydrophobicContact CB-CD2 4.49Å; M130-F158 HydrophobicContact CB-CE2 3.79Å; M130-F158 HydrophobicContact CB-CZ 4.43Å; M130-F158 HydrophobicContact CE-CD2 4.36Å; M130-F158 HydrophobicContact CE-CE1 4.24Å; M130-F158 HydrophobicContact CE-CE2 4.04Å; M130-F158 HydrophobicContact CE-CZ 3.98Å; M130-F158 HydrophobicContact CG-CD2 4.4Å; M130-F158 HydrophobicContact CG-CE2 4.13Å; M130-F158 WeakPolarHBondContact O-CE2 3.29Å; M130-A161 HydrophobicContact CE-CB 4.15Å; M130-A161 HydrophobicContact SD-CB 3.94Å; M130-L165 HydrophobicContact SD-CD1 4.37Å; M130-F177 HydrophobicContact CB-CD2 4.33Å; M130-F177 HydrophobicContact CB-CE2 3.6Å; M130-F177 HydrophobicContact CB-CZ 3.75Å; M130-F177 HydrophobicContact CE-CD2 3.6Å; M130-F177 HydrophobicContact CE-CE2 3.93Å; M130-F177 HydrophobicContact CE-CG 4.44Å; M130-F177 HydrophobicContact CG-CE2 4.48Å; M130-F177 HydrophobicContact SD-CD2 4.4Å; M130-F177 HydrophobicContact SD-CE2 4.16Å
131	E	98.8	Very high	97.8	Very high	36 Å²	36	32.9 Å²	32.9	17%	0.168	18%	0.181	C	C	.	.	H	α-helix	trans	-59.3	-42.5	176.7	-74.3	-68.3	176.3	0	0	112.5	W89 K127 D128 A134 A135 Q173 R176 F177	W89-E131 HydrophobicContact CH2-CB 3.91Å; K127-E131 VanDerWaalsContact O-CG 3.3Å; K127-E131 WeakPolarHBondContact O-CG 3.29Å; K127-E131 PolarHBondContact O-N 3.28Å; D128-E131 PolarHBondContact O-N 2.89Å; E131-A134 PolarHBondContact O-N 3.38Å; E131-A135 WeakPolarHBondContact O-CB 3.46Å; E131-A135 PolarHBondContact O-N 3.05Å; E131-Q173 VanDerWaalsContact OE1-CG 3.23Å; E131-Q173 WeakPolarHBondContact OE1-CG 3.49Å; E131-Q173 PolarHBondContact OE1-NE2 2.91Å; E131-R176 IonicContact OE2-CZ 3.16Å; E131-R176 IonicContact OE2-NH1 2.69Å; E131-R176 PolarHBondContact OE2-NH1 2.96Å; E131-F177 HydrophobicContact CG-CE1 4.45Å; E131-F177 HydrophobicContact CG-CZ 3.98Å
132	R	98.8	Very high	97.4	Very high	39 Å²	39	33.8 Å²	33.8	15%	0.147	18%	0.183	C	C	.	.	H	α-helix	trans	-62.7	-44.4	176.6	-72.2	155.2	177.3	-86.7	1.5	112.2	P87 W89 D128 Y129 M130 A135 Q136	P87-R132 HydrophobicContact CB-CB 4.14Å; P87-R132 HydrophobicContact CG-CB 4.45Å; P87-R132 WeakPolarHBondContact O-CD 3.47Å; P87-R132 PolarHBondContact O-NH1 3.35Å; W89-R132 HydrophobicContact CD2-CG 3.71Å; W89-R132 VanDerWaalsContact CE2-CG 3.41Å; W89-R132 HydrophobicContact CE3-CG 4.06Å; W89-R132 HydrophobicContact CG-CG 4.31Å; W89-R132 HydrophobicContact CH2-CG 3.9Å; W89-R132 HydrophobicContact CZ2-CG 3.51Å; W89-R132 HydrophobicContact CZ3-CG 4.16Å; D128-R132 VanDerWaalsContact CG-NE 3.32Å; D128-R132 VanDerWaalsContact O-CD 3.29Å; D128-R132 WeakPolarHBondContact O-CD 3.49Å; D128-R132 VanDerWaalsContact O-CG 3.3Å; D128-R132 WeakPolarHBondContact O-CG 3.35Å; D128-R132 PolarHBondContact O-N 3.49Å; D128-R132 IonicContact OD1-NE 3.13Å; D128-R132 PolarHBondContact OD1-NE 3.33Å; D128-R132 IonicContact OD2-CZ 3.43Å; D128-R132 IonicContact OD2-NE 2.75Å; D128-R132 PolarHBondContact OD2-NE 2.73Å; D128-R132 IonicContact OD2-NH2 2.97Å; D128-R132 PolarHBondContact OD2-NH2 3.47Å; Y129-R132 PolarHBondContact O-N 2.63Å; M130-R132 VanDerWaalsContact C-N 3.32Å; M130-R132 PolarHBondContact O-N 3.38Å; R132-A135 PolarHBondContact O-N 3.15Å; R132-Q136 WeakPolarHBondContact O-CG 3.5Å; R132-Q136 PolarHBondContact O-NE2 2.76Å
133	M	98.8	Very high	96.6	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-39.9	175.6	-66.1	-176.5	71	0	0	111.8	P87 F94 L106 Y129 M130 A135 Q136 W139 F158	P87-M133 HydrophobicContact CB-CG 4.34Å; P87-M133 HydrophobicContact CG-CG 3.79Å; P87-M133 HydrophobicContact CG-SD 4.47Å; F94-M133 HydrophobicContact CE2-CG 4.32Å; L106-M133 HydrophobicContact CD2-SD 3.69Å; Y129-M133 HydrophobicContact CD1-CG 4.28Å; Y129-M133 HydrophobicContact CD1-SD 3.85Å; Y129-M133 HydrophobicContact CE1-CG 4.4Å; Y129-M133 HydrophobicContact CE1-SD 3.78Å; Y129-M133 PolarHBondContact O-N 3.01Å; Y129-M133 VanDerWaalsContact O-N 3.17Å; M130-M133 PolarHBondContact O-N 3.36Å; M133-A135 PolarHBondContact O-N 2.75Å; M133-Q136 WeakPolarHBondContact O-CB 3.29Å; M133-Q136 WeakPolarHBondContact O-CG 3.35Å; M133-Q136 PolarHBondContact O-N 3.29Å; M133-W139 HydrophobicContact CB-CZ2 4.35Å; M133-W139 PolarHBondContact O-NE1 3.3Å; M133-F158 HydrophobicContact CB-CD2 3.93Å; M133-F158 HydrophobicContact CB-CE2 4.05Å; M133-F158 HydrophobicContact CE-CB 4.45Å; M133-F158 HydrophobicContact CE-CD2 4.47Å; M133-F158 HydrophobicContact SD-CD2 4.22Å
134	A	98.7	Very high	95.9	Very high	10 Å²	10	38 Å²	38	8%	0.083	21%	0.206	C	C	.	.	H	α-helix	trans	-71.9	-12.1	179.4	0	0	0	0	0	114	M130 E131 F158 R176 F177 V180	M130-A134 WeakPolarHBondContact O-CB 3.12Å; M130-A134 PolarHBondContact O-N 2.98Å; E131-A134 PolarHBondContact O-N 3.38Å; A134-F158 HydrophobicContact CB-CE2 4.26Å; A134-F158 HydrophobicContact CB-CZ 4.03Å; A134-R176 PolarHBondContact O-NH2 2.83Å; A134-R176 VanDerWaalsContact O-NH2 3.1Å; A134-F177 HydrophobicContact CB-CD1 3.58Å; A134-F177 HydrophobicContact CB-CE1 3.5Å; A134-F177 VanDerWaalsContact CB-CE1 3.5Å; A134-V180 HydrophobicContact CB-CG2 4.03Å
135	A	98.4	Very high	95.3	Very high	41 Å²	41	36.2 Å²	36.2	34%	0.339	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-10.6	173.1	0	0	0	0	0	113.1	W89 E131 R132 M133	W89-A135 HydrophobicContact CE3-CB 3.87Å; W89-A135 HydrophobicContact CZ3-CB 3.64Å; E131-A135 WeakPolarHBondContact O-CB 3.46Å; E131-A135 PolarHBondContact O-N 3.05Å; R132-A135 PolarHBondContact O-N 3.15Å; M133-A135 PolarHBondContact O-N 2.75Å
136	Q	98.4	Very high	94.6	Very high	18 Å²	18	42 Å²	42	8%	0.084	22%	0.22	C	C	.	.			trans	-72.9	134.1	-175.9	-56.7	-53.7	-43.5	0	0	111.3	P88 F94 R132 M133 S138	P88-Q136 PolarHBondContact O-NE2 2.69Å; P88-Q136 VanDerWaalsContact O-NE2 3.08Å; F94-Q136 HydrophobicContact CB-CG 4.48Å; F94-Q136 VanDerWaalsContact CB-OE1 3.26Å; F94-Q136 HydrophobicContact CD1-CB 4.49Å; F94-Q136 HydrophobicContact CD1-CG 3.9Å; F94-Q136 HydrophobicContact CD2-CG 3.63Å; F94-Q136 HydrophobicContact CE1-CG 4.03Å; F94-Q136 HydrophobicContact CE2-CG 3.73Å; F94-Q136 VanDerWaalsContact CG-CD 3.48Å; F94-Q136 HydrophobicContact CG-CG 3.73Å; F94-Q136 HydrophobicContact CZ-CG 3.94Å; R132-Q136 WeakPolarHBondContact O-CG 3.5Å; R132-Q136 PolarHBondContact O-NE2 2.76Å; M133-Q136 WeakPolarHBondContact O-CB 3.29Å; M133-Q136 WeakPolarHBondContact O-CG 3.35Å; M133-Q136 PolarHBondContact O-N 3.29Å; Q136-S138 VanDerWaalsContact C-N 3.26Å; Q136-S138 PolarHBondContact O-N 3.31Å
137	P	96.1	Very high	94.1	Very high	110 Å²	110	43 Å²	43	71%	0.714	23%	0.225	S	C	*	.	S	Bend	trans	-72.3	-22.7	175.5	30.1	-35.2	0	0	0	112.5	P91	P91-P137 HydrophobicContact CB-CG 3.78Å; P91-P137 HydrophobicContact CG-CG 3.91Å
138	S	94.6	Very high	94	Very high	56 Å²	56	40.6 Å²	40.6	39%	0.392	22%	0.215	S	C	.	.			trans	-153.8	145.6	176.8	-179.6	0	0	0	0	109.4	Q136 L140	Q136-S138 VanDerWaalsContact C-N 3.26Å; Q136-S138 PolarHBondContact O-N 3.31Å; S138-L140 WeakPolarHBondContact OG-CB 3.14Å; S138-L140 PolarHBondContact OG-N 2.98Å; S138-L140 VanDerWaalsContact OG-N 3.12Å
139	W	98	Very high	93.9	Very high	11 Å²	11	38.2 Å²	38.2	4%	0.042	20%	0.202	C	C	.	.			trans	-99	5.2	170.4	-66.5	-20.6	0	0	0	113.3	F94 M133 L151 L155 F158 V180 A184	F94-W139 AromaticContact CE1-CD1 3.81Å; F94-W139 HydrophobicContact CE1-CG 4.48Å; F94-W139 AromaticContact CZ-CD1 3.83Å; M133-W139 HydrophobicContact CB-CZ2 4.35Å; M133-W139 PolarHBondContact O-NE1 3.3Å; W139-L151 HydrophobicContact CB-CD1 3.79Å; W139-L151 HydrophobicContact CD2-CD1 4.49Å; W139-L151 HydrophobicContact CE3-CD1 3.9Å; W139-L155 HydrophobicContact CE3-CB 4.34Å; W139-L155 HydrophobicContact CZ3-CB 3.97Å; W139-L155 HydrophobicContact CZ3-CD1 4.24Å; W139-F158 HydrophobicContact CH2-CB 3.93Å; W139-F158 AromaticContact CH2-CD1 3.96Å; W139-F158 HydrophobicContact CH2-CD1 3.96Å; W139-F158 HydrophobicContact CH2-CD2 4.34Å; W139-F158 AromaticContact CH2-CG 3.82Å; W139-F158 HydrophobicContact CH2-CG 3.82Å; W139-F158 HydrophobicContact CZ2-CD2 4.26Å; W139-F158 HydrophobicContact CZ2-CG 4.2Å; W139-V180 HydrophobicContact CH2-CG1 3.47Å; W139-V180 VanDerWaalsContact CH2-CG1 3.47Å; W139-V180 HydrophobicContact CZ2-CG1 3.35Å; W139-V180 HydrophobicContact CZ3-CG1 4.47Å; W139-A184 HydrophobicContact CE3-CB 3.79Å; W139-A184 HydrophobicContact CH2-CB 4.47Å; W139-A184 HydrophobicContact CZ3-CB 3.56Å
140	L	95.6	Very high	93.8	Very high	22 Å²	22	38.2 Å²	38.2	12%	0.115	20%	0.202	C	C	.	.	S	Bend	trans	-73.2	153.5	172.1	-61	172.5	0	0	0	110.9	S95 S138 E148 L151 Y187	S95-L140 WeakPolarHBondContact CB-O 3.35Å; S138-L140 WeakPolarHBondContact OG-CB 3.14Å; S138-L140 PolarHBondContact OG-N 2.98Å; S138-L140 VanDerWaalsContact OG-N 3.12Å; L140-E148 HydrophobicContact CD2-CG 4.44Å; L140-L151 HydrophobicContact CD2-CB 3.97Å; L140-Y187 HydrophobicContact CD1-CE1 4.29Å; L140-Y187 HydrophobicContact CD2-CE1 4.48Å
141	V	92.5	Very high	93.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	20%	0.204	C	C	.	.			trans	-82	132.9	169.3	175.4	0	0	0	0	108.2	R97 D143 A144 P150 F864	R97-V141 WeakPolarHBondContact O-CG2 3.32Å; V141-D143 VanDerWaalsContact C-N 3.3Å; V141-D143 PolarHBondContact O-N 3.36Å; V141-A144 HydrophobicContact CB-CB 4.32Å; V141-A144 HydrophobicContact CG1-CB 4.46Å; V141-A144 CarbonylContact O-C 3.52Å; V141-A144 VanDerWaalsContact O-C 3.29Å; V141-A144 PolarHBondContact O-N 3.32Å; V141-P150 HydrophobicContact CB-CG 4.39Å; V141-P150 HydrophobicContact CG2-CB 3.69Å; V141-P150 HydrophobicContact CG2-CG 3.61Å; V141-F864 HydrophobicContact CG1-CE1 3.92Å; V141-F864 HydrophobicContact CG1-CZ 4Å
142	K	88.8	Confident	93.8	Very high	146 Å²	146	36.9 Å²	36.9	64%	0.635	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-44.5	-169.3	-179	-169.6	166.9	-158.8	0	112.8	S95 A144	S95-K142 PolarHBondContact O-N 3.42Å; K142-A144 VanDerWaalsContact C-N 3.32Å
143	D	82.4	Confident	93.8	Very high	94 Å²	94	35 Å²	35	50%	0.503	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.8	8.3	-175.7	-55.4	-33.7	0	0	0	112.4	V141 P145 L861 F864	V141-D143 VanDerWaalsContact C-N 3.3Å; V141-D143 PolarHBondContact O-N 3.36Å; D143-P145 VanDerWaalsContact C-CD 3.45Å; D143-L861 VanDerWaalsContact O-CD2 3.3Å; D143-L861 WeakPolarHBondContact O-CD2 3.34Å; D143-F864 HydrophobicContact CB-CZ 4.13Å
144	A	84.1	Confident	93.8	Very high	4 Å²	4	35 Å²	35	3%	0.033	19%	0.19	C	C	.	.			trans	-132	57.5	170.1	0	0	0	0	0	110.9	V141 K142 W146 D147 L861	V141-A144 HydrophobicContact CB-CB 4.32Å; V141-A144 HydrophobicContact CG1-CB 4.46Å; V141-A144 CarbonylContact O-C 3.52Å; V141-A144 VanDerWaalsContact O-C 3.29Å; V141-A144 PolarHBondContact O-N 3.32Å; K142-A144 VanDerWaalsContact C-N 3.32Å; A144-W146 PolarHBondContact O-N 2.92Å; A144-W146 VanDerWaalsContact O-N 3.08Å; A144-D147 HydrophobicContact CB-CB 4.1Å; A144-D147 PolarHBondContact O-N 3.39Å; A144-D147 VanDerWaalsContact O-N 3.12Å; A144-L861 HydrophobicContact CB-CD2 4.13Å
145	P	84.3	Confident	93.8	Very high	52 Å²	52	34.6 Å²	34.6	34%	0.338	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-11.6	-173.5	29.9	-36.7	0	0	0	114	D143	D143-P145 VanDerWaalsContact C-CD 3.45Å
146	W	84.4	Confident	93.8	Very high	139 Å²	139	33.1 Å²	33.1	53%	0.527	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-3.5	-180	-37.5	116.8	0	0	0	113.1	A144 R195 E857	A144-W146 PolarHBondContact O-N 2.92Å; A144-W146 VanDerWaalsContact O-N 3.08Å; W146-R195 PolarHBondContact O-NE 3.04Å; W146-E857 PolarHBondContact NE1-OE2 3.46Å
147	D	88.6	Confident	93.8	Very high	19 Å²	19	32.5 Å²	32.5	10%	0.102	17%	0.171	C	C	.	.			trans	-104.4	110.6	178.6	-168.1	-15.4	0	0	0	109.9	W98 A144 V149 P150 H205	W98-D147 WeakPolarHBondContact CH2-OD2 3.39Å; A144-D147 HydrophobicContact CB-CB 4.1Å; A144-D147 PolarHBondContact O-N 3.39Å; A144-D147 VanDerWaalsContact O-N 3.12Å; D147-V149 VanDerWaalsContact OD1-CB 3.31Å; D147-V149 WeakPolarHBondContact OD1-CB 3.35Å; D147-V149 WeakPolarHBondContact OD1-CG2 3.22Å; D147-V149 PolarHBondContact OD1-N 3.17Å; D147-P150 WeakPolarHBondContact O-CD 3.5Å; D147-H205 IonicContact OD1-CE1 3.37Å; D147-H205 IonicContact OD1-ND1 2.64Å; D147-H205 IonicContact OD2-CE1 3.9Å
148	E	96.3	Very high	94	Very high	3 Å²	3	27.3 Å²	27.3	1%	0.014	14%	0.137	C	C	.	.			trans	-86.5	-0.3	180	-63.9	86.3	-153.9	0	0	114	L140 L151 A152 Y187 M188 T191 R195 W197	L140-E148 HydrophobicContact CD2-CG 4.44Å; E148-L151 HydrophobicContact CB-CD2 4.47Å; E148-L151 HydrophobicContact CG-CD2 4.5Å; E148-L151 WeakPolarHBondContact O-CB 3.38Å; E148-L151 PolarHBondContact O-N 2.84Å; E148-L151 VanDerWaalsContact O-N 3.15Å; E148-A152 PolarHBondContact O-N 3.14Å; E148-Y187 HydrophobicContact CG-CE1 3.95Å; E148-M188 HydrophobicContact CB-CE 4.11Å; E148-M188 HydrophobicContact CB-SD 3.86Å; E148-M188 HydrophobicContact CG-SD 4.49Å; E148-T191 HydrophobicContact CG-CG2 4.31Å; E148-R195 IonicContact OE1-CZ 3.32Å; E148-R195 IonicContact OE1-NE 2.68Å; E148-R195 PolarHBondContact OE1-NE 3.35Å; E148-R195 IonicContact OE1-NH2 3.57Å; E148-R195 PolarHBondContact OE1-NH2 3.29Å; E148-R195 WeakPolarHBondContact OE2-CG 3.28Å; E148-R195 IonicContact OE2-NE 2.69Å; E148-W197 PolarHBondContact OE2-NE1 3.42Å
149	V	96.1	Very high	94.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.006	12%	0.118	C	C	.	.	H	α-helix	trans	-59.4	-43	178.5	172	0	0	0	0	113	W98 D147 L151 A152 H153 H205 T208 Y264	W98-V149 HydrophobicContact CH2-CB 3.95Å; W98-V149 HydrophobicContact CH2-CG1 3.99Å; W98-V149 HydrophobicContact CZ2-CB 4.13Å; W98-V149 HydrophobicContact CZ2-CG1 3.65Å; D147-V149 VanDerWaalsContact OD1-CB 3.31Å; D147-V149 WeakPolarHBondContact OD1-CB 3.35Å; D147-V149 WeakPolarHBondContact OD1-CG2 3.22Å; D147-V149 PolarHBondContact OD1-N 3.17Å; V149-L151 VanDerWaalsContact C-N 3.3Å; V149-L151 PolarHBondContact O-N 2.84Å; V149-A152 WeakPolarHBondContact O-CB 3.4Å; V149-A152 PolarHBondContact O-N 3.39Å; V149-A152 VanDerWaalsContact O-N 3.09Å; V149-H153 PolarHBondContact O-CD2 3.34Å; V149-H153 PolarHBondContact O-N 2.9Å; V149-H205 HydrophobicContact CG2-CB 4.25Å; V149-H205 VanDerWaalsContact CG2-CE1 3.5Å; V149-H205 WeakPolarHBondContact CG2-CE1 3.35Å; V149-H205 VanDerWaalsContact CG2-ND1 3.33Å; V149-H205 WeakPolarHBondContact CG2-ND1 3.44Å; V149-T208 HydrophobicContact CG1-CG2 4.39Å; V149-Y264 WeakPolarHBondContact CG1-OH 3.43Å
150	P	97.2	Very high	94.2	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-61.2	-37.8	174.6	-23.5	34.8	0	0	0	113.3	W98 N99 V141 D147 H153 S154	W98-P150 HydrophobicContact CD2-CG 4.25Å; W98-P150 HydrophobicContact CE3-CG 3.83Å; W98-P150 HydrophobicContact CH2-CG 3.68Å; W98-P150 HydrophobicContact CZ2-CG 4.09Å; W98-P150 HydrophobicContact CZ3-CG 3.53Å; N99-P150 WeakPolarHBondContact OD1-CB 3.28Å; V141-P150 HydrophobicContact CB-CG 4.39Å; V141-P150 HydrophobicContact CG2-CB 3.69Å; V141-P150 HydrophobicContact CG2-CG 3.61Å; D147-P150 WeakPolarHBondContact O-CD 3.5Å; P150-H153 PolarHBondContact O-N 2.91Å; P150-S154 PolarHBondContact O-N 2.79Å; P150-S154 PolarHBondContact O-OG 3.22Å; P150-S154 VanDerWaalsContact O-OG 3.14Å
151	L	98.4	Very high	94.4	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.042	11%	0.112	C	C	.	.	H	α-helix	trans	-62.5	-43.7	172.4	171.5	73.3	0	0	0	110.5	W139 L140 E148 V149 H153 S154 L155 A184 Y187 M188	W139-L151 HydrophobicContact CB-CD1 3.79Å; W139-L151 HydrophobicContact CD2-CD1 4.49Å; W139-L151 HydrophobicContact CE3-CD1 3.9Å; L140-L151 HydrophobicContact CD2-CB 3.97Å; E148-L151 HydrophobicContact CB-CD2 4.47Å; E148-L151 HydrophobicContact CG-CD2 4.5Å; E148-L151 WeakPolarHBondContact O-CB 3.38Å; E148-L151 PolarHBondContact O-N 2.84Å; E148-L151 VanDerWaalsContact O-N 3.15Å; V149-L151 VanDerWaalsContact C-N 3.3Å; V149-L151 PolarHBondContact O-N 2.84Å; L151-H153 PolarHBondContact O-N 3.37Å; L151-S154 PolarHBondContact O-N 3.38Å; L151-L155 VanDerWaalsContact O-CB 3.24Å; L151-L155 WeakPolarHBondContact O-CB 3.35Å; L151-L155 PolarHBondContact O-N 2.71Å; L151-A184 HydrophobicContact CD1-CB 3.99Å; L151-Y187 HydrophobicContact CD2-CD1 3.45Å; L151-Y187 VanDerWaalsContact CD2-CD1 3.45Å; L151-Y187 HydrophobicContact CD2-CE1 4.03Å; L151-Y187 HydrophobicContact CD2-CG 4.39Å; L151-M188 HydrophobicContact CB-CE 4.22Å; L151-M188 HydrophobicContact CD2-CE 3.67Å; L151-M188 HydrophobicContact CD2-SD 4.42Å; L151-M188 HydrophobicContact CG-CE 3.78Å
152	A	98.7	Very high	94.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.008	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-44.1	179.1	0	0	0	0	0	112	E148 V149 L155 V156 M188 T208 N209 A212	E148-A152 PolarHBondContact O-N 3.14Å; V149-A152 WeakPolarHBondContact O-CB 3.4Å; V149-A152 PolarHBondContact O-N 3.39Å; V149-A152 VanDerWaalsContact O-N 3.09Å; A152-L155 PolarHBondContact O-N 3.36Å; A152-V156 WeakPolarHBondContact O-CB 3.49Å; A152-V156 WeakPolarHBondContact O-CG1 3.28Å; A152-V156 PolarHBondContact O-N 3.49Å; A152-M188 HydrophobicContact CB-CE 3.69Å; A152-T208 HydrophobicContact CB-CG2 4.04Å; A152-N209 VanDerWaalsContact CB-OD1 3.26Å; A152-N209 WeakPolarHBondContact CB-OD1 3.34Å; A152-A212 HydrophobicContact CB-CB 3.69Å; A152-A212 VanDerWaalsContact O-CB 3.31Å; A152-A212 WeakPolarHBondContact O-CB 3.5Å
153	H	98.8	Very high	95.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.3	-49.3	175.3	-87.7	-96.7	0	0	0	112.5	E100 G103 N104 V149 P150 L151 L155 G157 Y264 R267 Y320	E100-H153 HydrophobicContact CB-CB 3.95Å; E100-H153 IonicContact OE2-CE1 3.86Å; E100-H153 IonicContact OE2-NE2 2.81Å; G103-H153 WeakPolarHBondContact CA-O 3.49Å; N104-H153 PolarHBondContact ND2-ND1 3.18Å; N104-H153 PolarHBondContact OD1-CE1 3.22Å; N104-H153 VanDerWaalsContact OD1-CE1 3.31Å; N104-H153 PolarHBondContact OD1-ND1 3.25Å; V149-H153 PolarHBondContact O-CD2 3.34Å; V149-H153 PolarHBondContact O-N 2.9Å; P150-H153 PolarHBondContact O-N 2.91Å; L151-H153 PolarHBondContact O-N 3.37Å; H153-L155 PolarHBondContact O-N 3.24Å; H153-G157 PolarHBondContact O-N 2.77Å; H153-G157 VanDerWaalsContact O-N 3.16Å; H153-Y264 AromaticContact NE2-CE2 3.82Å; H153-Y264 AromaticContact NE2-CZ 3.64Å; H153-Y264 PolarHBondContact NE2-OH 3.09Å; H153-R267 PolarHBondContact CE1-NH1 2.97Å; H153-R267 PolarHBondContact CE1-NH2 3.32Å; H153-R267 PolarHBondContact NE2-NH1 3.37Å; H153-Y320 AromaticContact CE1-CE1 3.91Å; H153-Y320 AromaticContact CE1-CZ 3.62Å; H153-Y320 PolarHBondContact CE1-OH 2.66Å
154	S	98.8	Very high	95.9	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-60.2	-46.6	177.1	-63.7	0	0	0	0	111.4	P150 L151 F158	P150-S154 PolarHBondContact O-N 2.79Å; P150-S154 PolarHBondContact O-OG 3.22Å; P150-S154 VanDerWaalsContact O-OG 3.14Å; L151-S154 PolarHBondContact O-N 3.38Å; S154-F158 WeakPolarHBondContact O-CB 3.13Å; S154-F158 PolarHBondContact O-N 3.42Å
155	L	98.9	Very high	96.6	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-65	-49.5	-178.6	174.8	58.2	0	0	0	112.7	W139 L151 A152 H153 G157 F158 A159 I181 A184 A212	W139-L155 HydrophobicContact CE3-CB 4.34Å; W139-L155 HydrophobicContact CZ3-CB 3.97Å; W139-L155 HydrophobicContact CZ3-CD1 4.24Å; L151-L155 VanDerWaalsContact O-CB 3.24Å; L151-L155 WeakPolarHBondContact O-CB 3.35Å; L151-L155 PolarHBondContact O-N 2.71Å; A152-L155 PolarHBondContact O-N 3.36Å; H153-L155 PolarHBondContact O-N 3.24Å; L155-G157 PolarHBondContact O-N 2.96Å; L155-F158 PolarHBondContact O-N 2.98Å; L155-A159 WeakPolarHBondContact O-CB 3.31Å; L155-A159 PolarHBondContact O-N 3.31Å; L155-I181 HydrophobicContact CD1-CG2 4.18Å; L155-A184 HydrophobicContact CD1-CB 4.03Å; L155-A184 HydrophobicContact CD2-CB 4.4Å; L155-A212 HydrophobicContact CB-CB 4.27Å; L155-A212 HydrophobicContact CD2-CB 4.08Å; L155-A212 WeakPolarHBondContact CD2-O 3.41Å; L155-A212 HydrophobicContact CG-CB 4.24Å
156	V	98.9	Very high	97.3	Very high	11 Å²	11	10.4 Å²	10.4	7%	0.067	5%	0.045	C	C	.	.	H	α-helix	trans	-65.8	-40.5	-177.6	73.6	0	0	0	0	111.5	A152 T160 V211 A212 A215	A152-V156 WeakPolarHBondContact O-CB 3.49Å; A152-V156 WeakPolarHBondContact O-CG1 3.28Å; A152-V156 PolarHBondContact O-N 3.49Å; V156-T160 VanDerWaalsContact O-CB 3.28Å; V156-T160 WeakPolarHBondContact O-CB 3.4Å; V156-T160 PolarHBondContact O-N 2.72Å; V156-T160 PolarHBondContact O-OG1 3.11Å; V156-V211 HydrophobicContact CG2-CG1 4.3Å; V156-A212 HydrophobicContact CB-CB 4.15Å; V156-A215 HydrophobicContact CG2-CB 4.23Å
157	G	98.8	Very high	97.9	Very high	5 Å²	5	7.8 Å²	7.8	5%	0.052	5%	0.048	C	C	.	.	H	α-helix	trans	-65.5	-45.2	176	0	0	0	0	0	112.3	G103 H153 L155 T160 A161	G103-G157 WeakPolarHBondContact O-CA 3.42Å; H153-G157 PolarHBondContact O-N 2.77Å; H153-G157 VanDerWaalsContact O-N 3.16Å; L155-G157 PolarHBondContact O-N 2.96Å; G157-T160 PolarHBondContact O-N 3.36Å; G157-A161 WeakPolarHBondContact O-CB 3.35Å; G157-A161 PolarHBondContact O-N 3.09Å
158	F	98.9	Very high	98.3	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-68	-43.4	-179.8	-168.5	-87.9	0	0	0	112.8	L106 M130 M133 A134 W139 S154 L155 T160 A161 Y162 F177 V180 I181	L106-F158 HydrophobicContact CD2-CB 4.33Å; L106-F158 HydrophobicContact CD2-CD2 4.15Å; M130-F158 HydrophobicContact CB-CD2 4.49Å; M130-F158 HydrophobicContact CB-CE2 3.79Å; M130-F158 HydrophobicContact CB-CZ 4.43Å; M130-F158 HydrophobicContact CE-CD2 4.36Å; M130-F158 HydrophobicContact CE-CE1 4.24Å; M130-F158 HydrophobicContact CE-CE2 4.04Å; M130-F158 HydrophobicContact CE-CZ 3.98Å; M130-F158 HydrophobicContact CG-CD2 4.4Å; M130-F158 HydrophobicContact CG-CE2 4.13Å; M130-F158 WeakPolarHBondContact O-CE2 3.29Å; M133-F158 HydrophobicContact CB-CD2 3.93Å; M133-F158 HydrophobicContact CB-CE2 4.05Å; M133-F158 HydrophobicContact CE-CB 4.45Å; M133-F158 HydrophobicContact CE-CD2 4.47Å; M133-F158 HydrophobicContact SD-CD2 4.22Å; A134-F158 HydrophobicContact CB-CE2 4.26Å; A134-F158 HydrophobicContact CB-CZ 4.03Å; W139-F158 HydrophobicContact CH2-CB 3.93Å; W139-F158 AromaticContact CH2-CD1 3.96Å; W139-F158 HydrophobicContact CH2-CD1 3.96Å; W139-F158 HydrophobicContact CH2-CD2 4.34Å; W139-F158 AromaticContact CH2-CG 3.82Å; W139-F158 HydrophobicContact CH2-CG 3.82Å; W139-F158 HydrophobicContact CZ2-CD2 4.26Å; W139-F158 HydrophobicContact CZ2-CG 4.2Å; S154-F158 WeakPolarHBondContact O-CB 3.13Å; S154-F158 PolarHBondContact O-N 3.42Å; L155-F158 PolarHBondContact O-N 2.98Å; F158-T160 VanDerWaalsContact C-N 3.35Å; F158-A161 PolarHBondContact O-N 3.18Å; F158-Y162 WeakPolarHBondContact O-CB 3.27Å; F158-Y162 PolarHBondContact O-N 3Å; F158-F177 HydrophobicContact CE1-CB 3.75Å; F158-F177 HydrophobicContact CE1-CG 4.15Å; F158-F177 HydrophobicContact CZ-CB 3.76Å; F158-F177 AromaticContact CZ-CD1 3.8Å; F158-F177 HydrophobicContact CZ-CD1 3.8Å; F158-F177 HydrophobicContact CZ-CD2 4.11Å; F158-F177 HydrophobicContact CZ-CE1 4.42Å; F158-F177 AromaticContact CZ-CG 3.62Å; F158-F177 HydrophobicContact CZ-CG 3.62Å; F158-V180 HydrophobicContact CE1-CB 4.45Å; F158-V180 HydrophobicContact CE1-CG1 4.27Å; F158-V180 HydrophobicContact CZ-CG1 4.47Å; F158-I181 HydrophobicContact CD1-CD1 4.01Å; F158-I181 HydrophobicContact CD1-CG1 3.63Å; F158-I181 HydrophobicContact CE1-CD1 4.17Å; F158-I181 HydrophobicContact CE1-CG1 3.89Å
159	A	98.9	Very high	98.4	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-64.9	-38.4	175.8	0	0	0	0	0	111.9	L155 Y162 D163 I181 A215 V219	L155-A159 WeakPolarHBondContact O-CB 3.31Å; L155-A159 PolarHBondContact O-N 3.31Å; A159-Y162 PolarHBondContact O-N 3Å; A159-D163 PolarHBondContact O-N 3.44Å; A159-I181 HydrophobicContact CB-CD1 4.32Å; A159-A215 HydrophobicContact CB-CB 4.29Å; A159-V219 HydrophobicContact CB-CG2 4.37Å
160	T	98.9	Very high	98.5	Very high	2 Å²	2	13.3 Å²	13.3	1%	0.012	8%	0.077	C	C	.	.	H	α-helix	trans	-64.3	-45.6	174.5	-59.2	0	0	0	0	111.4	Y47 V156 G157 F158 Y162 D163 F164	Y47-T160 HydrophobicContact CE2-CG2 4.43Å; V156-T160 VanDerWaalsContact O-CB 3.28Å; V156-T160 WeakPolarHBondContact O-CB 3.4Å; V156-T160 PolarHBondContact O-N 2.72Å; V156-T160 PolarHBondContact O-OG1 3.11Å; G157-T160 PolarHBondContact O-N 3.36Å; F158-T160 VanDerWaalsContact C-N 3.35Å; T160-Y162 PolarHBondContact O-N 3.42Å; T160-D163 PolarHBondContact O-N 2.82Å; T160-F164 HydrophobicContact CG2-CD1 4.32Å; T160-F164 HydrophobicContact CG2-CD2 4.21Å; T160-F164 HydrophobicContact CG2-CE1 3.98Å; T160-F164 HydrophobicContact CG2-CE2 3.85Å; T160-F164 HydrophobicContact CG2-CG 4.43Å; T160-F164 HydrophobicContact CG2-CZ 3.72Å; T160-F164 WeakPolarHBondContact O-CB 3.28Å; T160-F164 WeakPolarHBondContact O-CD1 3.23Å; T160-F164 WeakPolarHBondContact O-CG 3.28Å; T160-F164 PolarHBondContact O-N 3.47Å
161	A	98.9	Very high	98.4	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-65.3	-37.6	176.4	0	0	0	0	0	112.8	L106 A110 M130 G157 F158 F164 L165	L106-A161 HydrophobicContact CD1-CB 3.84Å; L106-A161 HydrophobicContact CD2-CB 3.94Å; L106-A161 HydrophobicContact CG-CB 3.66Å; A110-A161 HydrophobicContact CB-CB 3.71Å; M130-A161 HydrophobicContact CE-CB 4.15Å; M130-A161 HydrophobicContact SD-CB 3.94Å; G157-A161 WeakPolarHBondContact O-CB 3.35Å; G157-A161 PolarHBondContact O-N 3.09Å; F158-A161 PolarHBondContact O-N 3.18Å; A161-F164 PolarHBondContact O-N 3.47Å; A161-L165 VanDerWaalsContact O-CB 3.24Å; A161-L165 WeakPolarHBondContact O-CB 3.49Å; A161-L165 WeakPolarHBondContact O-CG 3.11Å; A161-L165 PolarHBondContact O-N 2.97Å
162	Y	98.9	Very high	98.4	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59	-47.2	173.2	-178.3	-89.1	0	0	0	111.8	Y43 F158 A159 T160 Y166 L169 Q174 F177 L178 I181 V219	Y43-Y162 HydrophobicContact CE1-CD1 4.41Å; Y43-Y162 HydrophobicContact CE1-CE1 4.23Å; Y43-Y162 AromaticContact CZ-CE1 3.97Å; F158-Y162 WeakPolarHBondContact O-CB 3.27Å; F158-Y162 PolarHBondContact O-N 3Å; A159-Y162 PolarHBondContact O-N 3Å; T160-Y162 PolarHBondContact O-N 3.42Å; Y162-Y166 HydrophobicContact CD1-CD2 4.37Å; Y162-Y166 AromaticContact CE1-CD2 3.69Å; Y162-Y166 HydrophobicContact CE1-CD2 3.69Å; Y162-Y166 HydrophobicContact CE1-CE2 4.01Å; Y162-Y166 HydrophobicContact CE2-CD2 4.47Å; Y162-Y166 AromaticContact CZ-CD2 3.76Å; Y162-Y166 AromaticContact CZ-CE2 3.81Å; Y162-Y166 WeakPolarHBondContact O-CA 3.38Å; Y162-Y166 WeakPolarHBondContact O-CB 3.27Å; Y162-Y166 PolarHBondContact O-N 3.05Å; Y162-Y166 WeakPolarHBondContact OH-CE2 3.31Å; Y162-L169 HydrophobicContact CD2-CD1 4.06Å; Y162-L169 HydrophobicContact CE2-CD1 4.37Å; Y162-Q174 VanDerWaalsContact CE2-O 3.31Å; Y162-Q174 WeakPolarHBondContact CE2-O 3.38Å; Y162-Q174 PolarHBondContact OH-O 3.29Å; Y162-F177 HydrophobicContact CD2-CB 3.63Å; Y162-F177 HydrophobicContact CD2-CD2 4.44Å; Y162-F177 HydrophobicContact CE2-CB 3.8Å; Y162-L178 HydrophobicContact CE1-CD1 4.36Å; Y162-L178 HydrophobicContact CE2-CB 4.39Å; Y162-I181 HydrophobicContact CD1-CD1 4.08Å; Y162-I181 HydrophobicContact CD2-CD1 4.08Å; Y162-I181 HydrophobicContact CG-CD1 3.69Å; Y162-V219 HydrophobicContact CD1-CG1 3.59Å; Y162-V219 HydrophobicContact CE1-CG1 3.65Å
163	D	98.9	Very high	98.3	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.7	-48.2	177.1	-178.8	70.1	0	0	0	111.9	Y43 P44 M45 L46 A159 T160	Y43-D163 HydrophobicContact CD1-CB 4.4Å; Y43-D163 WeakPolarHBondContact CD1-OD1 3.33Å; P44-D163 WeakPolarHBondContact CB-OD2 3.28Å; M45-D163 WeakPolarHBondContact CG-OD1 3.15Å; M45-D163 PolarHBondContact N-OD1 2.92Å; M45-D163 PolarHBondContact N-OD2 3Å; L46-D163 WeakPolarHBondContact CB-OD2 3.41Å; L46-D163 HydrophobicContact CD1-CB 3.68Å; L46-D163 HydrophobicContact CG-CB 3.95Å; L46-D163 PolarHBondContact N-OD1 3.27Å; L46-D163 PolarHBondContact N-OD2 2.91Å; L46-D163 VanDerWaalsContact N-OD2 3.07Å; A159-D163 PolarHBondContact O-N 3.44Å; T160-D163 PolarHBondContact O-N 2.82Å
164	F	98.8	Very high	98.3	Very high	3 Å²	3	26.2 Å²	26.2	1%	0.013	14%	0.142	C	C	.	.	H	α-helix	trans	-69	-38.9	-175.6	-76.8	14.8	0	0	0	112.6	P44 Y47 F48 A110 M111 V114 T160 A161 L372	P44-F164 HydrophobicContact CB-CD1 4.47Å; Y47-F164 HydrophobicContact CD2-CE1 4Å; Y47-F164 HydrophobicContact CD2-CZ 4.01Å; F48-F164 HydrophobicContact CD1-CE1 4.31Å; F48-F164 HydrophobicContact CD1-CZ 4.45Å; F48-F164 HydrophobicContact CE1-CD1 4.02Å; F48-F164 AromaticContact CE1-CE1 3.4Å; F48-F164 HydrophobicContact CE1-CE1 3.4Å; F48-F164 HydrophobicContact CE1-CE2 4.05Å; F48-F164 AromaticContact CE1-CZ 3.43Å; F48-F164 HydrophobicContact CE1-CZ 3.43Å; F48-F164 VanDerWaalsContact CE1-CZ 3.43Å; F48-F164 AromaticContact CZ-CD1 3.78Å; F48-F164 HydrophobicContact CZ-CD1 3.78Å; F48-F164 HydrophobicContact CZ-CD2 4.37Å; F48-F164 AromaticContact CZ-CE1 3.66Å; F48-F164 HydrophobicContact CZ-CE1 3.66Å; F48-F164 HydrophobicContact CZ-CE2 4.27Å; F48-F164 HydrophobicContact CZ-CG 4.15Å; F48-F164 AromaticContact CZ-CZ 3.94Å; F48-F164 HydrophobicContact CZ-CZ 3.94Å; A110-F164 HydrophobicContact CB-CB 4.26Å; A110-F164 HydrophobicContact CB-CD2 4.13Å; M111-F164 HydrophobicContact CB-CD2 4.46Å; M111-F164 HydrophobicContact CB-CE2 4.17Å; M111-F164 HydrophobicContact SD-CD2 4.29Å; M111-F164 HydrophobicContact SD-CE2 3.62Å; M111-F164 HydrophobicContact SD-CZ 4.3Å; V114-F164 HydrophobicContact CG2-CB 3.72Å; V114-F164 HydrophobicContact CG2-CD2 4.11Å; V114-F164 HydrophobicContact CG2-CG 4.08Å; T160-F164 HydrophobicContact CG2-CD1 4.32Å; T160-F164 HydrophobicContact CG2-CD2 4.21Å; T160-F164 HydrophobicContact CG2-CE1 3.98Å; T160-F164 HydrophobicContact CG2-CE2 3.85Å; T160-F164 HydrophobicContact CG2-CG 4.43Å; T160-F164 HydrophobicContact CG2-CZ 3.72Å; T160-F164 WeakPolarHBondContact O-CB 3.28Å; T160-F164 WeakPolarHBondContact O-CD1 3.23Å; T160-F164 WeakPolarHBondContact O-CG 3.28Å; T160-F164 PolarHBondContact O-N 3.47Å; A161-F164 PolarHBondContact O-N 3.47Å; F164-L372 HydrophobicContact CZ-CD1 4.24Å
165	L	98.7	Very high	98.1	Very high	2 Å²	2	31 Å²	31	1%	0.01	16%	0.164	C	C	.	.	H	α-helix	trans	-101.5	2.9	-172.3	-53.6	-178.2	0	0	0	113.5	A110 C113 A126 M130 A161 S167 Y168 L169	A110-L165 HydrophobicContact CB-CD1 4.2Å; A110-L165 HydrophobicContact CB-CG 4.22Å; C113-L165 HydrophobicContact CB-CD2 3.59Å; A126-L165 HydrophobicContact CB-CD1 3.7Å; M130-L165 HydrophobicContact SD-CD1 4.37Å; A161-L165 VanDerWaalsContact O-CB 3.24Å; A161-L165 WeakPolarHBondContact O-CB 3.49Å; A161-L165 WeakPolarHBondContact O-CG 3.11Å; A161-L165 PolarHBondContact O-N 2.97Å; L165-S167 PolarHBondContact O-N 2.89Å; L165-Y168 HydrophobicContact CD2-CD2 4.42Å; L165-Y168 WeakPolarHBondContact O-CA 3.35Å; L165-Y168 WeakPolarHBondContact O-CB 3.39Å; L165-Y168 PolarHBondContact O-N 2.86Å; L165-L169 PolarHBondContact O-N 3.27Å
166	Y	98.5	Very high	98.1	Very high	24 Å²	24	35.3 Å²	35.3	9%	0.094	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-44.5	-47	-172.6	-174.8	-93.9	0	0	0	113.6	D41 Y43 Y162 Y168 L169 Q174	D41-Y166 PolarHBondContact OD1-OH 3.28Å; Y43-Y166 HydrophobicContact CD1-CD2 4.34Å; Y43-Y166 HydrophobicContact CD1-CG 4.18Å; Y43-Y166 AromaticContact CD2-CD1 3.36Å; Y43-Y166 HydrophobicContact CD2-CD1 3.36Å; Y43-Y166 AromaticContact CD2-CD2 3.61Å; Y43-Y166 HydrophobicContact CD2-CD2 3.61Å; Y43-Y166 AromaticContact CD2-CE1 3.58Å; Y43-Y166 HydrophobicContact CD2-CE1 3.58Å; Y43-Y166 AromaticContact CD2-CE2 3.8Å; Y43-Y166 HydrophobicContact CD2-CE2 3.8Å; Y43-Y166 AromaticContact CD2-CG 3.38Å; Y43-Y166 HydrophobicContact CD2-CG 3.38Å; Y43-Y166 AromaticContact CD2-CZ 3.79Å; Y43-Y166 HydrophobicContact CE1-CD2 4.32Å; Y43-Y166 HydrophobicContact CE2-CD1 4.04Å; Y43-Y166 AromaticContact CE2-CD2 3.52Å; Y43-Y166 HydrophobicContact CE2-CD2 3.52Å; Y43-Y166 AromaticContact CE2-CE1 3.97Å; Y43-Y166 HydrophobicContact CE2-CE1 3.97Å; Y43-Y166 AromaticContact CE2-CE2 3.41Å; Y43-Y166 HydrophobicContact CE2-CE2 3.41Å; Y43-Y166 VanDerWaalsContact CE2-CE2 3.41Å; Y43-Y166 AromaticContact CE2-CG 3.83Å; Y43-Y166 HydrophobicContact CE2-CG 3.83Å; Y43-Y166 AromaticContact CE2-CZ 3.66Å; Y43-Y166 AromaticContact CG-CD1 3.81Å; Y43-Y166 HydrophobicContact CG-CD1 3.81Å; Y43-Y166 HydrophobicContact CG-CD2 4Å; Y43-Y166 HydrophobicContact CG-CE1 4.47Å; Y43-Y166 AromaticContact CG-CG 3.55Å; Y43-Y166 HydrophobicContact CG-CG 3.55Å; Y43-Y166 AromaticContact CZ-CD2 3.91Å; Y162-Y166 HydrophobicContact CD1-CD2 4.37Å; Y162-Y166 AromaticContact CE1-CD2 3.69Å; Y162-Y166 HydrophobicContact CE1-CD2 3.69Å; Y162-Y166 HydrophobicContact CE1-CE2 4.01Å; Y162-Y166 HydrophobicContact CE2-CD2 4.47Å; Y162-Y166 AromaticContact CZ-CD2 3.76Å; Y162-Y166 AromaticContact CZ-CE2 3.81Å; Y162-Y166 WeakPolarHBondContact O-CA 3.38Å; Y162-Y166 WeakPolarHBondContact O-CB 3.27Å; Y162-Y166 PolarHBondContact O-N 3.05Å; Y162-Y166 WeakPolarHBondContact OH-CE2 3.31Å; Y166-Y168 VanDerWaalsContact C-N 3.25Å; Y166-Y168 PolarHBondContact O-N 3.43Å; Y166-L169 PolarHBondContact O-N 2.81Å; Y166-Q174 HydrophobicContact CD2-CG 4.13Å; Y166-Q174 HydrophobicContact CE2-CB 4.15Å; Y166-Q174 HydrophobicContact CE2-CG 3.82Å; Y166-Q174 PolarHBondContact O-NE2 3.46Å; Y166-Q174 PolarHBondContact OH-OE1 3Å
167	S	96.6	Very high	98.1	Very high	85 Å²	85	34.8 Å²	34.8	59%	0.594	18%	0.177	S	C	*	.	G	3₁₀ helix	trans	-68.9	-18	-178.4	54.9	0	0	0	0	115	L165	L165-S167 PolarHBondContact O-N 2.89Å
168	Y	97.6	Very high	98	Very high	73 Å²	73	35 Å²	35	29%	0.286	18%	0.178	S	C	.	.	G	3₁₀ helix	trans	-91.9	-16.7	178.1	-60.3	-79.1	0	0	0	112.7	P117 I123 K127 L165 Y166	P117-Y168 VanDerWaalsContact CB-OH 3.28Å; P117-Y168 WeakPolarHBondContact CB-OH 3.4Å; I123-Y168 HydrophobicContact CD1-CD1 4.23Å; I123-Y168 HydrophobicContact CD1-CE1 4.18Å; K127-Y168 WeakPolarHBondContact CE-O 3.42Å; K127-Y168 PolarHBondContact NZ-O 3.23Å; L165-Y168 HydrophobicContact CD2-CD2 4.42Å; L165-Y168 WeakPolarHBondContact O-CA 3.35Å; L165-Y168 WeakPolarHBondContact O-CB 3.39Å; L165-Y168 PolarHBondContact O-N 2.86Å; Y166-Y168 VanDerWaalsContact C-N 3.25Å; Y166-Y168 PolarHBondContact O-N 3.43Å
169	L	98.3	Very high	97.9	Very high	11 Å²	11	41 Å²	41	6%	0.058	21%	0.206	C	C	.	.	S	Bend	trans	-76.8	146.2	-179.9	-61	-179.3	0	0	0	111.4	K127 Y162 L165 Y166 Q173 Q174 F177	K127-L169 HydrophobicContact CG-CD2 4.19Å; Y162-L169 HydrophobicContact CD2-CD1 4.06Å; Y162-L169 HydrophobicContact CE2-CD1 4.37Å; L165-L169 PolarHBondContact O-N 3.27Å; Y166-L169 PolarHBondContact O-N 2.81Å; L169-Q173 HydrophobicContact CB-CB 3.98Å; L169-Q173 HydrophobicContact CD2-CB 4.39Å; L169-Q174 HydrophobicContact CB-CG 3.81Å; L169-Q174 PolarHBondContact O-NE2 3Å; L169-F177 HydrophobicContact CD1-CD2 3.88Å; L169-F177 HydrophobicContact CD1-CE2 4.3Å; L169-F177 HydrophobicContact CD2-CD2 4.45Å; L169-F177 HydrophobicContact CD2-CE2 4.03Å
170	S	98	Very high	97.9	Very high	55 Å²	55	42.2 Å²	42.2	39%	0.385	21%	0.213	S	C	.	.			trans	-67.3	161.8	168.8	76.3	0	0	0	0	110.7	T172 Q173 Q174	S170-T172 VanDerWaalsContact C-N 3.25Å; S170-T172 PolarHBondContact O-N 3.47Å; S170-Q173 WeakPolarHBondContact O-CB 3.48Å; S170-Q173 PolarHBondContact O-N 3.01Å; S170-Q173 VanDerWaalsContact O-N 3.1Å; S170-Q173 WeakPolarHBondContact OG-CG 3.49Å; S170-Q173 PolarHBondContact OG-N 3.5Å; S170-Q173 VanDerWaalsContact OG-N 3.16Å; S170-Q173 PolarHBondContact OG-OE1 3.2Å; S170-Q174 WeakPolarHBondContact O-CG 3.06Å; S170-Q174 PolarHBondContact O-N 3.15Å
171	K	95.2	Very high	97.9	Very high	135 Å²	135	42.1 Å²	42.1	59%	0.587	21%	0.212	S	C	*	.	H	α-helix	trans	-59	-38.8	176.4	-74.5	-74.2	161.8	-160.4	0	112.4	Q173 Q174 E175	K171-Q173 PolarHBondContact O-N 3.39Å; K171-Q174 VanDerWaalsContact CE-OE1 3.3Å; K171-Q174 PolarHBondContact O-N 2.77Å; K171-E175 WeakPolarHBondContact O-CG 3.42Å; K171-E175 PolarHBondContact O-N 3.2Å
172	T	97.3	Very high	97.8	Very high	104 Å²	104	43.4 Å²	43.4	64%	0.638	22%	0.223	S	C	*	.	H	α-helix	trans	-61.5	-42.8	174.6	-53.4	0	0	0	0	112	S170 R176	S170-T172 VanDerWaalsContact C-N 3.25Å; S170-T172 PolarHBondContact O-N 3.47Å; T172-R176 VanDerWaalsContact O-CB 3.26Å; T172-R176 WeakPolarHBondContact O-CB 3.45Å; T172-R176 PolarHBondContact O-N 3.12Å
173	Q	98.2	Very high	97.7	Very high	26 Å²	26	49.1 Å²	49.1	12%	0.121	25%	0.254	C	S	.	.	H	α-helix	trans	-65.6	-44.1	175.8	-75.9	173	-36	0	0	111.7	E131 L169 S170 K171 E175 R176 F177	E131-Q173 VanDerWaalsContact OE1-CG 3.23Å; E131-Q173 WeakPolarHBondContact OE1-CG 3.49Å; E131-Q173 PolarHBondContact OE1-NE2 2.91Å; L169-Q173 HydrophobicContact CB-CB 3.98Å; L169-Q173 HydrophobicContact CD2-CB 4.39Å; S170-Q173 WeakPolarHBondContact O-CB 3.48Å; S170-Q173 PolarHBondContact O-N 3.01Å; S170-Q173 VanDerWaalsContact O-N 3.1Å; S170-Q173 WeakPolarHBondContact OG-CG 3.49Å; S170-Q173 PolarHBondContact OG-N 3.5Å; S170-Q173 VanDerWaalsContact OG-N 3.16Å; S170-Q173 PolarHBondContact OG-OE1 3.2Å; K171-Q173 PolarHBondContact O-N 3.39Å; Q173-E175 VanDerWaalsContact C-N 3.32Å; Q173-E175 PolarHBondContact O-N 3.43Å; Q173-R176 PolarHBondContact O-N 2.77Å; Q173-F177 HydrophobicContact CB-CD2 4.25Å; Q173-F177 HydrophobicContact CB-CE2 3.98Å; Q173-F177 HydrophobicContact CB-CZ 4.26Å; Q173-F177 HydrophobicContact CG-CE2 4.2Å; Q173-F177 HydrophobicContact CG-CZ 4.05Å; Q173-F177 WeakPolarHBondContact O-CB 3.38Å; Q173-F177 WeakPolarHBondContact O-CG 3.03Å; Q173-F177 PolarHBondContact O-N 3.24Å
174	Q	97.9	Very high	97.7	Very high	14 Å²	14	49.7 Å²	49.7	7%	0.065	26%	0.258	C	S	.	.	H	α-helix	trans	-57.8	-44	177.2	-71.5	172.7	-4.3	0	0	111.9	Y162 Y166 L169 S170 K171 L178	Y162-Q174 VanDerWaalsContact CE2-O 3.31Å; Y162-Q174 WeakPolarHBondContact CE2-O 3.38Å; Y162-Q174 PolarHBondContact OH-O 3.29Å; Y166-Q174 HydrophobicContact CD2-CG 4.13Å; Y166-Q174 HydrophobicContact CE2-CB 4.15Å; Y166-Q174 HydrophobicContact CE2-CG 3.82Å; Y166-Q174 PolarHBondContact O-NE2 3.46Å; Y166-Q174 PolarHBondContact OH-OE1 3Å; L169-Q174 HydrophobicContact CB-CG 3.81Å; L169-Q174 PolarHBondContact O-NE2 3Å; S170-Q174 WeakPolarHBondContact O-CG 3.06Å; S170-Q174 PolarHBondContact O-N 3.15Å; K171-Q174 VanDerWaalsContact CE-OE1 3.3Å; K171-Q174 PolarHBondContact O-N 2.77Å; Q174-L178 VanDerWaalsContact O-CB 3.32Å; Q174-L178 WeakPolarHBondContact O-CB 3.48Å; Q174-L178 PolarHBondContact O-N 2.99Å
175	E	95.3	Very high	97.7	Very high	100 Å²	100	49.5 Å²	49.5	47%	0.467	26%	0.257	S	S	.	.	H	α-helix	trans	-71.5	-51.2	178.9	-69.1	-179.3	158.8	0	0	111.6	K171 Q173 F177 L178 E179	K171-E175 WeakPolarHBondContact O-CG 3.42Å; K171-E175 PolarHBondContact O-N 3.2Å; Q173-E175 VanDerWaalsContact C-N 3.32Å; Q173-E175 PolarHBondContact O-N 3.43Å; E175-F177 PolarHBondContact O-N 3.15Å; E175-L178 WeakPolarHBondContact O-CB 3.5Å; E175-L178 PolarHBondContact O-N 3Å; E175-E179 PolarHBondContact O-N 3.45Å; E175-E179 VanDerWaalsContact O-N 3.17Å
176	R	98.1	Very high	97.5	Very high	91 Å²	91	50.4 Å²	50.4	34%	0.343	27%	0.267	S	S	.	.	H	α-helix	trans	-62.6	-45.3	-177.9	-178.2	-178.7	170.2	-153.9	-10.9	112.4	E131 A134 T172 Q173 L178 E179 V180	E131-R176 IonicContact OE2-CZ 3.16Å; E131-R176 IonicContact OE2-NH1 2.69Å; E131-R176 PolarHBondContact OE2-NH1 2.96Å; A134-R176 PolarHBondContact O-NH2 2.83Å; A134-R176 VanDerWaalsContact O-NH2 3.1Å; T172-R176 VanDerWaalsContact O-CB 3.26Å; T172-R176 WeakPolarHBondContact O-CB 3.45Å; T172-R176 PolarHBondContact O-N 3.12Å; Q173-R176 PolarHBondContact O-N 2.77Å; R176-L178 VanDerWaalsContact C-N 3.28Å; R176-L178 PolarHBondContact O-N 3.16Å; R176-E179 WeakPolarHBondContact O-CB 3.45Å; R176-E179 PolarHBondContact O-N 3.14Å; R176-V180 WeakPolarHBondContact O-CG2 3.48Å; R176-V180 PolarHBondContact O-N 3.09Å; R176-V180 VanDerWaalsContact O-N 3.11Å
177	F	98.8	Very high	97.3	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.3	-31.1	-178.7	-65.2	-9	0	0	0	111.7	M130 E131 A134 F158 Y162 L169 Q173 E175 V180 I181	M130-F177 HydrophobicContact CB-CD2 4.33Å; M130-F177 HydrophobicContact CB-CE2 3.6Å; M130-F177 HydrophobicContact CB-CZ 3.75Å; M130-F177 HydrophobicContact CE-CD2 3.6Å; M130-F177 HydrophobicContact CE-CE2 3.93Å; M130-F177 HydrophobicContact CE-CG 4.44Å; M130-F177 HydrophobicContact CG-CE2 4.48Å; M130-F177 HydrophobicContact SD-CD2 4.4Å; M130-F177 HydrophobicContact SD-CE2 4.16Å; E131-F177 HydrophobicContact CG-CE1 4.45Å; E131-F177 HydrophobicContact CG-CZ 3.98Å; A134-F177 HydrophobicContact CB-CD1 3.58Å; A134-F177 HydrophobicContact CB-CE1 3.5Å; A134-F177 VanDerWaalsContact CB-CE1 3.5Å; F158-F177 HydrophobicContact CE1-CB 3.75Å; F158-F177 HydrophobicContact CE1-CG 4.15Å; F158-F177 HydrophobicContact CZ-CB 3.76Å; F158-F177 AromaticContact CZ-CD1 3.8Å; F158-F177 HydrophobicContact CZ-CD1 3.8Å; F158-F177 HydrophobicContact CZ-CD2 4.11Å; F158-F177 HydrophobicContact CZ-CE1 4.42Å; F158-F177 AromaticContact CZ-CG 3.62Å; F158-F177 HydrophobicContact CZ-CG 3.62Å; Y162-F177 HydrophobicContact CD2-CB 3.63Å; Y162-F177 HydrophobicContact CD2-CD2 4.44Å; Y162-F177 HydrophobicContact CE2-CB 3.8Å; L169-F177 HydrophobicContact CD1-CD2 3.88Å; L169-F177 HydrophobicContact CD1-CE2 4.3Å; L169-F177 HydrophobicContact CD2-CD2 4.45Å; L169-F177 HydrophobicContact CD2-CE2 4.03Å; Q173-F177 HydrophobicContact CB-CD2 4.25Å; Q173-F177 HydrophobicContact CB-CE2 3.98Å; Q173-F177 HydrophobicContact CB-CZ 4.26Å; Q173-F177 HydrophobicContact CG-CE2 4.2Å; Q173-F177 HydrophobicContact CG-CZ 4.05Å; Q173-F177 WeakPolarHBondContact O-CB 3.38Å; Q173-F177 WeakPolarHBondContact O-CG 3.03Å; Q173-F177 PolarHBondContact O-N 3.24Å; E175-F177 PolarHBondContact O-N 3.15Å; F177-V180 PolarHBondContact O-N 3.24Å; F177-I181 VanDerWaalsContact O-CG1 3.31Å; F177-I181 WeakPolarHBondContact O-CG1 3.49Å; F177-I181 PolarHBondContact O-N 3.37Å
178	L	98.1	Very high	97.4	Very high	11 Å²	11	49.6 Å²	49.6	6%	0.058	25%	0.251	C	S	.	.	H	α-helix	trans	-65.1	-40.6	172.8	-172.1	65.7	0	0	0	111.9	Y162 Q174 E175 R176 V180 I181 A182 V219 L220 Q223 Y225	Y162-L178 HydrophobicContact CE1-CD1 4.36Å; Y162-L178 HydrophobicContact CE2-CB 4.39Å; Q174-L178 VanDerWaalsContact O-CB 3.32Å; Q174-L178 WeakPolarHBondContact O-CB 3.48Å; Q174-L178 PolarHBondContact O-N 2.99Å; E175-L178 WeakPolarHBondContact O-CB 3.5Å; E175-L178 PolarHBondContact O-N 3Å; R176-L178 VanDerWaalsContact C-N 3.28Å; R176-L178 PolarHBondContact O-N 3.16Å; L178-V180 VanDerWaalsContact C-N 3.33Å; L178-V180 PolarHBondContact O-N 2.66Å; L178-I181 PolarHBondContact O-N 3.32Å; L178-A182 WeakPolarHBondContact O-CB 3.45Å; L178-A182 PolarHBondContact O-N 3.06Å; L178-V219 HydrophobicContact CD1-CG1 3.78Å; L178-L220 HydrophobicContact CD1-CD1 3.92Å; L178-L220 HydrophobicContact CD1-CG 4.38Å; L178-Q223 HydrophobicContact CD1-CB 4.42Å; L178-Q223 HydrophobicContact CD1-CG 3.95Å; L178-Q223 HydrophobicContact CD2-CB 3.88Å; L178-Q223 HydrophobicContact CD2-CG 3.73Å; L178-Y225 HydrophobicContact CD2-CD2 4.16Å; L178-Y225 HydrophobicContact CD2-CE2 3.54Å
179	E	96.8	Very high	97.3	Very high	126 Å²	126	46.9 Å²	46.9	59%	0.589	24%	0.24	S	C	*	.	H	α-helix	trans	-62.2	-40.5	174.4	-68.9	177.6	179.8	0	0	111.8	E175 R176 A182 N183	E175-E179 PolarHBondContact O-N 3.45Å; E175-E179 VanDerWaalsContact O-N 3.17Å; R176-E179 WeakPolarHBondContact O-CB 3.45Å; R176-E179 PolarHBondContact O-N 3.14Å; E179-A182 PolarHBondContact O-N 3.01Å; E179-N183 WeakPolarHBondContact O-CB 3.43Å; E179-N183 VanDerWaalsContact O-CG 3.24Å; E179-N183 PolarHBondContact O-N 3.02Å; E179-N183 PolarHBondContact O-ND2 2.82Å
180	V	98.6	Very high	97	Very high	25 Å²	25	50 Å²	50	15%	0.152	26%	0.255	C	S	.	.	H	α-helix	trans	-62.1	-46.8	175.2	172.6	0	0	0	0	111.1	A134 W139 F158 R176 F177 L178 A182 N183 A184	A134-V180 HydrophobicContact CB-CG2 4.03Å; W139-V180 HydrophobicContact CH2-CG1 3.47Å; W139-V180 VanDerWaalsContact CH2-CG1 3.47Å; W139-V180 HydrophobicContact CZ2-CG1 3.35Å; W139-V180 HydrophobicContact CZ3-CG1 4.47Å; F158-V180 HydrophobicContact CE1-CB 4.45Å; F158-V180 HydrophobicContact CE1-CG1 4.27Å; F158-V180 HydrophobicContact CZ-CG1 4.47Å; R176-V180 WeakPolarHBondContact O-CG2 3.48Å; R176-V180 PolarHBondContact O-N 3.09Å; R176-V180 VanDerWaalsContact O-N 3.11Å; F177-V180 PolarHBondContact O-N 3.24Å; L178-V180 VanDerWaalsContact C-N 3.33Å; L178-V180 PolarHBondContact O-N 2.66Å; V180-A182 VanDerWaalsContact C-N 3.32Å; V180-A182 PolarHBondContact O-N 3.22Å; V180-N183 PolarHBondContact O-N 3.24Å; V180-A184 PolarHBondContact O-N 2.83Å
181	I	98.8	Very high	96.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.2	-44.7	175.5	-68.7	165.4	0	0	0	110.5	L155 F158 A159 Y162 F177 L178 S185 V219 L220	L155-I181 HydrophobicContact CD1-CG2 4.18Å; F158-I181 HydrophobicContact CD1-CD1 4.01Å; F158-I181 HydrophobicContact CD1-CG1 3.63Å; F158-I181 HydrophobicContact CE1-CD1 4.17Å; F158-I181 HydrophobicContact CE1-CG1 3.89Å; A159-I181 HydrophobicContact CB-CD1 4.32Å; Y162-I181 HydrophobicContact CD1-CD1 4.08Å; Y162-I181 HydrophobicContact CD2-CD1 4.08Å; Y162-I181 HydrophobicContact CG-CD1 3.69Å; F177-I181 VanDerWaalsContact O-CG1 3.31Å; F177-I181 WeakPolarHBondContact O-CG1 3.49Å; F177-I181 PolarHBondContact O-N 3.37Å; L178-I181 PolarHBondContact O-N 3.32Å; I181-S185 WeakPolarHBondContact O-CB 3.49Å; I181-S185 PolarHBondContact O-N 3.29Å; I181-S185 PolarHBondContact O-OG 2.93Å; I181-V219 HydrophobicContact CD1-CG1 4.14Å; I181-L220 HydrophobicContact CB-CD1 4.46Å; I181-L220 HydrophobicContact CG2-CD1 3.8Å
182	A	97.4	Very high	96.6	Very high	27 Å²	27	41.5 Å²	41.5	22%	0.223	21%	0.212	C	C	.	.	H	α-helix	trans	-61.5	-44.7	179.2	0	0	0	0	0	112.1	L178 E179 V180 S185 G186 L220 W232	L178-A182 WeakPolarHBondContact O-CB 3.45Å; L178-A182 PolarHBondContact O-N 3.06Å; E179-A182 PolarHBondContact O-N 3.01Å; V180-A182 VanDerWaalsContact C-N 3.32Å; V180-A182 PolarHBondContact O-N 3.22Å; A182-S185 PolarHBondContact O-N 3.48Å; A182-G186 PolarHBondContact O-N 3.4Å; A182-L220 HydrophobicContact CB-CD1 4.12Å; A182-L220 HydrophobicContact CB-CD2 3.87Å; A182-L220 HydrophobicContact CB-CG 4.46Å; A182-W232 HydrophobicContact CB-CH2 4.49Å; A182-W232 WeakPolarHBondContact O-CH2 3.29Å
183	N	96.6	Very high	96.1	Very high	120 Å²	120	37.9 Å²	37.9	64%	0.642	19%	0.187	S	C	*	.	H	α-helix	trans	-64.9	-48	180	-71.9	-19.3	0	0	0	112	E179 V180 S185 G186 Y187	E179-N183 WeakPolarHBondContact O-CB 3.43Å; E179-N183 VanDerWaalsContact O-CG 3.24Å; E179-N183 PolarHBondContact O-N 3.02Å; E179-N183 PolarHBondContact O-ND2 2.82Å; V180-N183 PolarHBondContact O-N 3.24Å; N183-S185 PolarHBondContact O-N 3.15Å; N183-G186 PolarHBondContact O-N 3.27Å; N183-Y187 PolarHBondContact O-N 2.92Å
184	A	98.4	Very high	95.4	Very high	11 Å²	11	41.7 Å²	41.7	9%	0.091	20%	0.2	C	C	.	.	H	α-helix	trans	-63.4	-41.4	178.2	0	0	0	0	0	112	W139 L151 L155 V180 Y187 M188	W139-A184 HydrophobicContact CE3-CB 3.79Å; W139-A184 HydrophobicContact CH2-CB 4.47Å; W139-A184 HydrophobicContact CZ3-CB 3.56Å; L151-A184 HydrophobicContact CD1-CB 3.99Å; L155-A184 HydrophobicContact CD1-CB 4.03Å; L155-A184 HydrophobicContact CD2-CB 4.4Å; V180-A184 PolarHBondContact O-N 2.83Å; A184-Y187 PolarHBondContact O-N 3.02Å; A184-M188 PolarHBondContact O-N 2.94Å
185	S	98.4	Very high	95	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-67	-42.7	176.8	-57.4	0	0	0	0	112	I181 A182 N183 Y187 M188 Y189 L213	I181-S185 WeakPolarHBondContact O-CB 3.49Å; I181-S185 PolarHBondContact O-N 3.29Å; I181-S185 PolarHBondContact O-OG 2.93Å; A182-S185 PolarHBondContact O-N 3.48Å; N183-S185 PolarHBondContact O-N 3.15Å; S185-Y187 VanDerWaalsContact C-N 3.32Å; S185-Y187 PolarHBondContact O-N 3.35Å; S185-M188 PolarHBondContact O-N 3.22Å; S185-Y189 WeakPolarHBondContact O-CB 3.43Å; S185-Y189 PolarHBondContact O-N 3.19Å; S185-L213 VanDerWaalsContact O-CD1 3.24Å; S185-L213 WeakPolarHBondContact O-CD1 3.15Å
186	G	94.8	Very high	94.6	Very high	20 Å²	20	37.7 Å²	37.7	21%	0.206	18%	0.181	C	C	.	.	H	α-helix	trans	-60	-41.6	175.7	0	0	0	0	0	112.3	A182 N183 Y189 E190	A182-G186 PolarHBondContact O-N 3.4Å; N183-G186 PolarHBondContact O-N 3.27Å; G186-Y189 PolarHBondContact O-N 2.95Å; G186-E190 WeakPolarHBondContact O-CG 3.31Å; G186-E190 PolarHBondContact O-N 3.42Å; G186-E190 VanDerWaalsContact O-N 3.09Å
187	Y	95.3	Very high	94.4	Very high	92 Å²	92	33.8 Å²	33.8	36%	0.361	17%	0.166	S	C	.	.	H	α-helix	trans	-61.4	-49.3	173.7	-175.3	-85.7	0	0	0	111.8	L140 E148 L151 N183 A184 S185 Y189 E190 T191	L140-Y187 HydrophobicContact CD1-CE1 4.29Å; L140-Y187 HydrophobicContact CD2-CE1 4.48Å; E148-Y187 HydrophobicContact CG-CE1 3.95Å; L151-Y187 HydrophobicContact CD2-CD1 3.45Å; L151-Y187 VanDerWaalsContact CD2-CD1 3.45Å; L151-Y187 HydrophobicContact CD2-CE1 4.03Å; L151-Y187 HydrophobicContact CD2-CG 4.39Å; N183-Y187 PolarHBondContact O-N 2.92Å; A184-Y187 PolarHBondContact O-N 3.02Å; S185-Y187 VanDerWaalsContact C-N 3.32Å; S185-Y187 PolarHBondContact O-N 3.35Å; Y187-Y189 VanDerWaalsContact C-N 3.29Å; Y187-Y189 PolarHBondContact O-N 2.78Å; Y187-E190 PolarHBondContact O-N 2.96Å; Y187-E190 VanDerWaalsContact O-N 3.17Å; Y187-T191 HydrophobicContact CD1-CG2 3.93Å; Y187-T191 HydrophobicContact CE1-CG2 3.46Å; Y187-T191 VanDerWaalsContact CE1-CG2 3.46Å; Y187-T191 HydrophobicContact CE2-CG2 4.47Å; Y187-T191 PolarHBondContact O-N 2.92Å; Y187-T191 PolarHBondContact O-OG1 3.39Å
188	M	97.2	Very high	94.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-59.3	-38.7	178.3	-168.8	68.8	77.9	0	0	112.4	E148 L151 A152 A184 S185 T191 S192 W197 N209 L213	E148-M188 HydrophobicContact CB-CE 4.11Å; E148-M188 HydrophobicContact CB-SD 3.86Å; E148-M188 HydrophobicContact CG-SD 4.49Å; L151-M188 HydrophobicContact CB-CE 4.22Å; L151-M188 HydrophobicContact CD2-CE 3.67Å; L151-M188 HydrophobicContact CD2-SD 4.42Å; L151-M188 HydrophobicContact CG-CE 3.78Å; A152-M188 HydrophobicContact CB-CE 3.69Å; A184-M188 PolarHBondContact O-N 2.94Å; S185-M188 PolarHBondContact O-N 3.22Å; M188-T191 PolarHBondContact O-OG1 3.41Å; M188-T191 VanDerWaalsContact O-OG1 3.11Å; M188-S192 PolarHBondContact O-N 2.92Å; M188-S192 VanDerWaalsContact O-N 3.14Å; M188-W197 HydrophobicContact CG-CH2 4.15Å; M188-W197 HydrophobicContact CG-CZ2 4.26Å; M188-W197 WeakPolarHBondContact O-CZ2 3.42Å; M188-W197 HydrophobicContact SD-CH2 4.12Å; M188-W197 HydrophobicContact SD-CZ2 3.75Å; M188-N209 HydrophobicContact CE-CB 4.4Å; M188-N209 HydrophobicContact SD-CB 3.76Å; M188-L213 HydrophobicContact CB-CD1 4.43Å; M188-L213 HydrophobicContact CG-CB 4.01Å
189	Y	96.6	Very high	93.9	Very high	16 Å²	16	36 Å²	36	6%	0.063	18%	0.178	C	C	.	.	H	α-helix	trans	-62.9	-46.4	175	170.3	-102.3	0	0	0	112	S185 G186 Y187 S192 Y193 L213 L231 W232 Q235	S185-Y189 WeakPolarHBondContact O-CB 3.43Å; S185-Y189 PolarHBondContact O-N 3.19Å; G186-Y189 PolarHBondContact O-N 2.95Å; Y187-Y189 VanDerWaalsContact C-N 3.29Å; Y187-Y189 PolarHBondContact O-N 2.78Å; Y189-S192 WeakPolarHBondContact O-CB 3.33Å; Y189-S192 PolarHBondContact O-N 2.85Å; Y189-S192 PolarHBondContact O-OG 3.41Å; Y189-Y193 HydrophobicContact CD1-CE2 4.43Å; Y189-Y193 HydrophobicContact CD2-CE2 4.24Å; Y189-Y193 AromaticContact CE1-CE2 3.93Å; Y189-Y193 HydrophobicContact CE1-CE2 3.93Å; Y189-Y193 AromaticContact CE2-CE2 3.73Å; Y189-Y193 HydrophobicContact CE2-CE2 3.73Å; Y189-Y193 AromaticContact CZ-CE2 3.55Å; Y189-Y193 AromaticContact CZ-CZ 3.98Å; Y189-Y193 WeakPolarHBondContact O-CD2 3.19Å; Y189-Y193 PolarHBondContact OH-OH 3.05Å; Y189-L213 HydrophobicContact CD2-CD2 4.48Å; Y189-L231 HydrophobicContact CE2-CB 4.29Å; Y189-W232 AromaticContact CD1-CD1 3.75Å; Y189-W232 AromaticContact CD1-NE1 3.75Å; Y189-W232 HydrophobicContact CD2-CB 4.45Å; Y189-W232 AromaticContact CD2-CD1 3.38Å; Y189-W232 HydrophobicContact CD2-CG 4.18Å; Y189-W232 AromaticContact CE2-CD1 3.94Å; Y189-W232 AromaticContact CG-CD1 3.25Å; Y189-W232 HydrophobicContact CG-CG 4.21Å; Y189-W232 AromaticContact CG-NE1 3.61Å; Y189-Q235 HydrophobicContact CD2-CB 4Å; Y189-Q235 HydrophobicContact CD2-CG 4.13Å; Y189-Q235 HydrophobicContact CE2-CB 3.72Å; Y189-Q235 HydrophobicContact CE2-CG 4.07Å
190	E	90.8	Very high	93.9	Very high	76 Å²	76	30.3 Å²	30.3	36%	0.355	15%	0.151	S	C	.	.	H	α-helix	trans	-65	-41.5	179.5	-73.2	-63.9	144.1	0	0	112.4	G186 Y187 S192 Y193 R194	G186-E190 WeakPolarHBondContact O-CG 3.31Å; G186-E190 PolarHBondContact O-N 3.42Å; G186-E190 VanDerWaalsContact O-N 3.09Å; Y187-E190 PolarHBondContact O-N 2.96Å; Y187-E190 VanDerWaalsContact O-N 3.17Å; E190-S192 VanDerWaalsContact C-N 3.28Å; E190-S192 PolarHBondContact O-N 2.97Å; E190-Y193 PolarHBondContact O-N 2.85Å; E190-R194 IonicContact OE2-NH2 2.77Å; E190-R194 PolarHBondContact OE2-NH2 3.42Å
191	T	91.7	Very high	93.9	Very high	9 Å²	9	29.6 Å²	29.6	6%	0.055	15%	0.146	C	C	.	.	H	α-helix	trans	-69.1	-26	178.5	55.9	0	0	0	0	112.8	E148 Y187 M188 Y193 R194 R195	E148-T191 HydrophobicContact CG-CG2 4.31Å; Y187-T191 HydrophobicContact CD1-CG2 3.93Å; Y187-T191 HydrophobicContact CE1-CG2 3.46Å; Y187-T191 VanDerWaalsContact CE1-CG2 3.46Å; Y187-T191 HydrophobicContact CE2-CG2 4.47Å; Y187-T191 PolarHBondContact O-N 2.92Å; Y187-T191 PolarHBondContact O-OG1 3.39Å; M188-T191 PolarHBondContact O-OG1 3.41Å; M188-T191 VanDerWaalsContact O-OG1 3.11Å; T191-Y193 PolarHBondContact O-N 3.08Å; T191-R194 PolarHBondContact O-N 2.98Å; T191-R195 WeakPolarHBondContact O-CB 2.97Å; T191-R195 WeakPolarHBondContact O-CG 3.44Å; T191-R195 PolarHBondContact O-N 3.48Å
192	S	93.2	Very high	93.9	Very high	3 Å²	3	30.3 Å²	30.3	2%	0.021	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-23.6	175.2	83.3	0	0	0	0	114.2	M188 Y189 E190 G198 Q235	M188-S192 PolarHBondContact O-N 2.92Å; M188-S192 VanDerWaalsContact O-N 3.14Å; Y189-S192 WeakPolarHBondContact O-CB 3.33Å; Y189-S192 PolarHBondContact O-N 2.85Å; Y189-S192 PolarHBondContact O-OG 3.41Å; E190-S192 VanDerWaalsContact C-N 3.28Å; E190-S192 PolarHBondContact O-N 2.97Å; S192-G198 WeakPolarHBondContact O-CA 3.44Å; S192-Q235 WeakPolarHBondContact OG-CG 3.42Å; S192-Q235 PolarHBondContact OG-NE2 3.33Å
193	Y	86.5	Confident	93.9	Very high	28 Å²	28	29.1 Å²	29.1	11%	0.11	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-12.2	177.3	-66.4	-78.7	0	0	0	114	Y189 E190 T191 Q235 R839	Y189-Y193 HydrophobicContact CD1-CE2 4.43Å; Y189-Y193 HydrophobicContact CD2-CE2 4.24Å; Y189-Y193 AromaticContact CE1-CE2 3.93Å; Y189-Y193 HydrophobicContact CE1-CE2 3.93Å; Y189-Y193 AromaticContact CE2-CE2 3.73Å; Y189-Y193 HydrophobicContact CE2-CE2 3.73Å; Y189-Y193 AromaticContact CZ-CE2 3.55Å; Y189-Y193 AromaticContact CZ-CZ 3.98Å; Y189-Y193 WeakPolarHBondContact O-CD2 3.19Å; Y189-Y193 PolarHBondContact OH-OH 3.05Å; E190-Y193 PolarHBondContact O-N 2.85Å; T191-Y193 PolarHBondContact O-N 3.08Å; Y193-Q235 HydrophobicContact CE2-CG 4.49Å; Y193-R839 HydrophobicContact CE1-CG 3.97Å
194	R	85	Confident	94	Very high	106 Å²	106	23.5 Å²	23.5	40%	0.4	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-12.7	-169.1	-53.6	-175.7	-155.6	168.6	9.7	113.9	E190 T191 A846	E190-R194 IonicContact OE2-NH2 2.77Å; E190-R194 PolarHBondContact OE2-NH2 3.42Å; T191-R194 PolarHBondContact O-N 2.98Å; R194-A846 HydrophobicContact CG-CB 4.47Å
195	R	87.9	Confident	93.9	Very high	29 Å²	29	24.3 Å²	24.3	11%	0.109	11%	0.111	C	C	.	.	S	Bend	trans	-111.2	153.9	-174.1	-64.5	-75.5	-172.1	-97.6	-4.9	112.8	W146 E148 T191 W197 G198 F199	W146-R195 PolarHBondContact O-NE 3.04Å; E148-R195 IonicContact OE1-CZ 3.32Å; E148-R195 IonicContact OE1-NE 2.68Å; E148-R195 PolarHBondContact OE1-NE 3.35Å; E148-R195 IonicContact OE1-NH2 3.57Å; E148-R195 PolarHBondContact OE1-NH2 3.29Å; E148-R195 WeakPolarHBondContact OE2-CG 3.28Å; E148-R195 IonicContact OE2-NE 2.69Å; T191-R195 WeakPolarHBondContact O-CB 2.97Å; T191-R195 WeakPolarHBondContact O-CG 3.44Å; T191-R195 PolarHBondContact O-N 3.48Å; R195-W197 VanDerWaalsContact C-N 3.3Å; R195-W197 VanDerWaalsContact CB-CD1 3.44Å; R195-W197 HydrophobicContact CB-CG 4.31Å; R195-W197 PolarHBondContact O-N 3.28Å; R195-G198 PolarHBondContact O-N 3.31Å; R195-G198 VanDerWaalsContact O-N 3.12Å; R195-F199 WeakPolarHBondContact O-CD1 3.22Å; R195-F199 WeakPolarHBondContact O-CE1 3.28Å
196	G	87.3	Confident	94	Very high	2 Å²	2	24.4 Å²	24.4	2%	0.021	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-51.4	-45.5	179	0	0	0	0	0	113	G198 F199 Q200 E854	G196-G198 PolarHBondContact O-N 2.81Å; G196-F199 CarbonylContact O-C 3.56Å; G196-F199 PolarHBondContact O-N 3.37Å; G196-Q200 VanDerWaalsContact O-CB 3.28Å; G196-Q200 WeakPolarHBondContact O-CB 3.47Å; G196-Q200 WeakPolarHBondContact O-CG 3.27Å; G196-Q200 PolarHBondContact O-N 3.29Å; G196-E854 PolarHBondContact N-OE1 2.75Å
197	W	94.3	Very high	94.1	Very high	9 Å²	9	23.7 Å²	23.7	3%	0.034	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-57.9	-23.7	-178.1	69.6	-102.2	0	0	0	114.4	E148 M188 R195 F199 H205 Q206 N209 I239	E148-W197 PolarHBondContact OE2-NE1 3.42Å; M188-W197 HydrophobicContact CG-CH2 4.15Å; M188-W197 HydrophobicContact CG-CZ2 4.26Å; M188-W197 WeakPolarHBondContact O-CZ2 3.42Å; M188-W197 HydrophobicContact SD-CH2 4.12Å; M188-W197 HydrophobicContact SD-CZ2 3.75Å; R195-W197 VanDerWaalsContact C-N 3.3Å; R195-W197 VanDerWaalsContact CB-CD1 3.44Å; R195-W197 HydrophobicContact CB-CG 4.31Å; R195-W197 PolarHBondContact O-N 3.28Å; W197-F199 VanDerWaalsContact C-N 3.25Å; W197-F199 PolarHBondContact O-N 3.25Å; W197-H205 HydrophobicContact CB-CB 3.86Å; W197-Q206 WeakPolarHBondContact O-CB 3.34Å; W197-Q206 WeakPolarHBondContact O-CG 3.35Å; W197-Q206 PolarHBondContact O-NE2 3.43Å; W197-Q206 VanDerWaalsContact O-NE2 3.15Å; W197-N209 VanDerWaalsContact CD1-ND2 3.26Å; W197-N209 HydrophobicContact CD2-CB 3.81Å; W197-N209 HydrophobicContact CE3-CB 3.71Å; W197-N209 HydrophobicContact CG-CB 4.47Å; W197-N209 VanDerWaalsContact CG-ND2 3.34Å; W197-N209 HydrophobicContact CH2-CB 3.93Å; W197-N209 HydrophobicContact CZ2-CB 4.04Å; W197-N209 HydrophobicContact CZ3-CB 3.78Å; W197-N209 PolarHBondContact NE1-ND2 3.27Å; W197-I239 HydrophobicContact CZ3-CD1 4.45Å
198	G	93.4	Very high	94.3	Very high	9 Å²	9	19.5 Å²	19.5	9%	0.093	9%	0.087	C	C	.	.	G	3₁₀ helix	trans	-71.6	-15.5	175.9	0	0	0	0	0	114.6	S192 R195 G196	S192-G198 WeakPolarHBondContact O-CA 3.44Å; R195-G198 PolarHBondContact O-N 3.31Å; R195-G198 VanDerWaalsContact O-N 3.12Å; G196-G198 PolarHBondContact O-N 2.81Å
199	F	93.4	Very high	94.4	Very high	47 Å²	47	19.5 Å²	19.5	21%	0.206	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-144.6	-2	-177.8	59.9	-98.3	0	0	0	115.4	R195 G196 W197 Y201 R444 N445	R195-F199 WeakPolarHBondContact O-CD1 3.22Å; R195-F199 WeakPolarHBondContact O-CE1 3.28Å; G196-F199 CarbonylContact O-C 3.56Å; G196-F199 PolarHBondContact O-N 3.37Å; W197-F199 VanDerWaalsContact C-N 3.25Å; W197-F199 PolarHBondContact O-N 3.25Å; F199-Y201 WeakPolarHBondContact O-CD2 3.35Å; F199-Y201 WeakPolarHBondContact O-CE2 3.43Å; F199-Y201 PolarHBondContact O-N 3.34Å; F199-R444 HydrophobicContact CD2-CG 4.43Å; F199-R444 WeakPolarHBondContact CD2-O 3.31Å; F199-R444 HydrophobicContact CE2-CG 3.99Å; F199-R444 WeakPolarHBondContact CE2-O 3.44Å; F199-N445 VanDerWaalsContact O-CA 3.31Å; F199-N445 WeakPolarHBondContact O-CA 3.37Å; F199-N445 PolarHBondContact O-ND2 2.83Å
200	Q	96.4	Very high	94.5	Very high	7 Å²	7	18.8 Å²	18.8	3%	0.033	9%	0.085	C	C	.	.	S	Bend	trans	-88.4	90.7	169.7	-72	170	-8.5	0	0	109.1	G196 Q206 N445 N447	G196-Q200 VanDerWaalsContact O-CB 3.28Å; G196-Q200 WeakPolarHBondContact O-CB 3.47Å; G196-Q200 WeakPolarHBondContact O-CG 3.27Å; G196-Q200 PolarHBondContact O-N 3.29Å; Q200-Q206 PolarHBondContact O-NE2 3.02Å; Q200-N445 CarbonylContact C-O 3.53Å; Q200-N445 VanDerWaalsContact CA-O 3.29Å; Q200-N445 WeakPolarHBondContact CA-O 3.39Å; Q200-N447 HydrophobicContact CB-CB 4.41Å; Q200-N447 HydrophobicContact CG-CB 4.35Å; Q200-N447 PolarHBondContact OE1-ND2 3.29Å
201	Y	98.4	Very high	94.9	Very high	11 Å²	11	15.3 Å²	15.3	4%	0.043	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	147.3	-172.9	-55.4	-75.7	0	0	0	112	F199 H203 K242 A243 L246 I440 N445	F199-Y201 WeakPolarHBondContact O-CD2 3.35Å; F199-Y201 WeakPolarHBondContact O-CE2 3.43Å; F199-Y201 PolarHBondContact O-N 3.34Å; Y201-H203 PolarHBondContact O-N 3.13Å; Y201-K242 HydrophobicContact CD1-CB 4.25Å; Y201-K242 HydrophobicContact CE1-CB 3.71Å; Y201-K242 HydrophobicContact CE1-CD 4.01Å; Y201-K242 WeakPolarHBondContact OH-CD 3.47Å; Y201-A243 HydrophobicContact CD1-CB 4.19Å; Y201-L246 HydrophobicContact CD1-CD1 4.32Å; Y201-L246 HydrophobicContact CD2-CD1 3.67Å; Y201-L246 HydrophobicContact CE2-CD1 4.38Å; Y201-L246 HydrophobicContact CG-CD1 3.63Å; Y201-I440 HydrophobicContact CD2-CD1 3.63Å; Y201-I440 HydrophobicContact CE2-CD1 3.65Å; Y201-N445 HydrophobicContact CD2-CB 4.2Å; Y201-N445 HydrophobicContact CE2-CB 4.25Å; Y201-N445 PolarHBondContact N-O 2.88Å
202	L	98.1	Very high	95.2	Very high	14 Å²	14	14.9 Å²	14.9	7%	0.073	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.3	-16.1	176.5	-50.5	179.5	0	0	0	116.7	A243 L247 Y256 I427	L202-A243 HydrophobicContact CD2-CB 4.11Å; L202-A243 WeakPolarHBondContact CD2-O 3.31Å; L202-L247 HydrophobicContact CD1-CD1 4.36Å; L202-L247 HydrophobicContact CD2-CB 4.01Å; L202-L247 HydrophobicContact CD2-CD1 4.08Å; L202-L247 HydrophobicContact CD2-CG 4.48Å; L202-Y256 HydrophobicContact CB-CE1 4.39Å; L202-I427 HydrophobicContact CD1-CD1 4.35Å; L202-I427 HydrophobicContact CD1-CG1 4.48Å
203	H	98.3	Very high	95.5	Very high	3 Å²	3	14.8 Å²	14.8	1%	0.014	7%	0.065	C	C	.	.	S	Bend	trans	-63.6	137	172.4	177.7	-109.5	0	0	0	111.2	Y201 H205 Q206 P207 E257 N447 W510	Y201-H203 PolarHBondContact O-N 3.13Å; H203-H205 AromaticContact CE1-CD2 3.31Å; H203-H205 PolarHBondContact CE1-CD2 3.49Å; H203-H205 AromaticContact CE1-CG 3.55Å; H203-H205 AromaticContact ND1-CD2 3.94Å; H203-H205 AromaticContact ND1-CG 3.88Å; H203-H205 PolarHBondContact O-N 2.98Å; H203-Q206 WeakPolarHBondContact O-CB 3.45Å; H203-Q206 PolarHBondContact O-N 3.27Å; H203-P207 WeakPolarHBondContact O-CD 3.47Å; H203-E257 IonicContact CD2-OE1 3.49Å; H203-E257 PolarHBondContact CD2-OE1 3.45Å; H203-E257 IonicContact NE2-OE1 2.71Å; H203-N447 HydrophobicContact CB-CB 4.16Å; H203-W510 AromaticContact NE2-CH2 3.71Å
204	N	97.8	Very high	96.1	Very high	1 Å²	1	13.4 Å²	13.4	1%	0.005	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-28.3	-171.5	71.4	-58.8	0	0	0	116	Q206 P207 T208 E257 Y261 T265	N204-Q206 VanDerWaalsContact C-N 3.32Å; N204-Q206 PolarHBondContact O-N 2.88Å; N204-P207 WeakPolarHBondContact O-CD 3.16Å; N204-T208 WeakPolarHBondContact O-CB 3.46Å; N204-T208 PolarHBondContact O-OG1 3.4Å; N204-E257 WeakPolarHBondContact CB-OE2 3.43Å; N204-E257 PolarHBondContact N-OE2 3.39Å; N204-E257 PolarHBondContact OD1-OE1 3.04Å; N204-Y261 HydrophobicContact CB-CD1 4.01Å; N204-Y261 VanDerWaalsContact CG-CD1 3.5Å; N204-Y261 WeakPolarHBondContact ND2-CD1 3.44Å; N204-Y261 VanDerWaalsContact ND2-CE1 3.3Å; N204-Y261 WeakPolarHBondContact ND2-CE1 3.24Å; N204-T265 VanDerWaalsContact CA-OG1 3.24Å; N204-T265 WeakPolarHBondContact CA-OG1 3.49Å; N204-T265 VanDerWaalsContact CB-OG1 3.28Å; N204-T265 WeakPolarHBondContact CB-OG1 3.28Å
205	H	98.1	Very high	96.7	Very high	29 Å²	29	8.4 Å²	8.4	13%	0.134	4%	0.041	C	C	.	.	H	α-helix	trans	-64.3	-36.5	175.9	-74.9	-136.8	0	0	0	111.8	D147 V149 W197 H203 T208 N209	D147-H205 IonicContact OD1-CE1 3.37Å; D147-H205 IonicContact OD1-ND1 2.64Å; D147-H205 IonicContact OD2-CE1 3.9Å; V149-H205 HydrophobicContact CG2-CB 4.25Å; V149-H205 VanDerWaalsContact CG2-CE1 3.5Å; V149-H205 WeakPolarHBondContact CG2-CE1 3.35Å; V149-H205 VanDerWaalsContact CG2-ND1 3.33Å; V149-H205 WeakPolarHBondContact CG2-ND1 3.44Å; W197-H205 HydrophobicContact CB-CB 3.86Å; H203-H205 AromaticContact CE1-CD2 3.31Å; H203-H205 PolarHBondContact CE1-CD2 3.49Å; H203-H205 AromaticContact CE1-CG 3.55Å; H203-H205 AromaticContact ND1-CD2 3.94Å; H203-H205 AromaticContact ND1-CG 3.88Å; H203-H205 PolarHBondContact O-N 2.98Å; H205-T208 PolarHBondContact O-N 2.97Å; H205-N209 WeakPolarHBondContact O-CB 3.21Å; H205-N209 VanDerWaalsContact O-CG 3.31Å; H205-N209 PolarHBondContact O-N 3.39Å
206	Q	98.5	Very high	97.3	Very high	1 Å²	1	7 Å²	7	1%	0.005	4%	0.036	C	C	.	.	H	α-helix	trans	-60.9	-60	-175.6	173.6	175.9	94.4	0	0	113.3	W197 Q200 H203 N204 T208 N209 C210 I239 M240 A243	W197-Q206 WeakPolarHBondContact O-CB 3.34Å; W197-Q206 WeakPolarHBondContact O-CG 3.35Å; W197-Q206 PolarHBondContact O-NE2 3.43Å; W197-Q206 VanDerWaalsContact O-NE2 3.15Å; Q200-Q206 PolarHBondContact O-NE2 3.02Å; H203-Q206 WeakPolarHBondContact O-CB 3.45Å; H203-Q206 PolarHBondContact O-N 3.27Å; N204-Q206 VanDerWaalsContact C-N 3.32Å; N204-Q206 PolarHBondContact O-N 2.88Å; Q206-T208 VanDerWaalsContact C-N 3.25Å; Q206-T208 PolarHBondContact O-N 2.79Å; Q206-N209 PolarHBondContact O-N 3.17Å; Q206-C210 VanDerWaalsContact O-CB 3.28Å; Q206-C210 WeakPolarHBondContact O-CB 3.39Å; Q206-C210 PolarHBondContact O-N 2.98Å; Q206-C210 PolarHBondContact O-SG 3.07Å; Q206-I239 HydrophobicContact CG-CG2 3.7Å; Q206-M240 HydrophobicContact CG-SD 4.39Å; Q206-A243 VanDerWaalsContact OE1-CB 3.26Å
207	P	98.8	Very high	97.8	Very high	5 Å²	5	7 Å²	7	3%	0.032	4%	0.035	C	C	.	.	H	α-helix	trans	-65.1	-32.6	-179.1	27.6	-35.3	0	0	0	111.7	H203 N204 V211 M240 T265 S268	H203-P207 WeakPolarHBondContact O-CD 3.47Å; N204-P207 WeakPolarHBondContact O-CD 3.16Å; P207-V211 WeakPolarHBondContact O-CB 3.29Å; P207-V211 VanDerWaalsContact O-CG2 3.26Å; P207-V211 WeakPolarHBondContact O-CG2 3.34Å; P207-V211 PolarHBondContact O-N 3.43Å; P207-M240 HydrophobicContact CB-CE 3.87Å; P207-M240 HydrophobicContact CB-SD 4.1Å; P207-T265 HydrophobicContact CG-CG2 4.11Å; P207-S268 VanDerWaalsContact C-CB 3.5Å; P207-S268 WeakPolarHBondContact O-CB 3.47Å
208	T	98.8	Very high	98	Very high	5 Å²	5	6.5 Å²	6.5	3%	0.031	3%	0.033	C	C	.	.	H	α-helix	trans	-61	-52.2	177.6	-60.3	0	0	0	0	111.9	V149 A152 N204 H205 Q206 A212 Y264 S268	V149-T208 HydrophobicContact CG1-CG2 4.39Å; A152-T208 HydrophobicContact CB-CG2 4.04Å; N204-T208 WeakPolarHBondContact O-CB 3.46Å; N204-T208 PolarHBondContact O-OG1 3.4Å; H205-T208 PolarHBondContact O-N 2.97Å; Q206-T208 VanDerWaalsContact C-N 3.25Å; Q206-T208 PolarHBondContact O-N 2.79Å; T208-A212 PolarHBondContact O-N 2.86Å; T208-Y264 HydrophobicContact CG2-CE2 3.85Å; T208-Y264 VanDerWaalsContact OG1-CE2 3.27Å; T208-Y264 WeakPolarHBondContact OG1-CE2 3.44Å; T208-S268 WeakPolarHBondContact CA-OG 3.48Å; T208-S268 PolarHBondContact OG1-OG 2.87Å
209	N	98.8	Very high	98.2	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-69.3	-38.6	-179.9	-67.6	-8.9	0	0	0	111.4	A152 M188 W197 H205 Q206 A212 L213	A152-N209 VanDerWaalsContact CB-OD1 3.26Å; A152-N209 WeakPolarHBondContact CB-OD1 3.34Å; M188-N209 HydrophobicContact CE-CB 4.4Å; M188-N209 HydrophobicContact SD-CB 3.76Å; W197-N209 VanDerWaalsContact CD1-ND2 3.26Å; W197-N209 HydrophobicContact CD2-CB 3.81Å; W197-N209 HydrophobicContact CE3-CB 3.71Å; W197-N209 HydrophobicContact CG-CB 4.47Å; W197-N209 VanDerWaalsContact CG-ND2 3.34Å; W197-N209 HydrophobicContact CH2-CB 3.93Å; W197-N209 HydrophobicContact CZ2-CB 4.04Å; W197-N209 HydrophobicContact CZ3-CB 3.78Å; W197-N209 PolarHBondContact NE1-ND2 3.27Å; H205-N209 WeakPolarHBondContact O-CB 3.21Å; H205-N209 VanDerWaalsContact O-CG 3.31Å; H205-N209 PolarHBondContact O-N 3.39Å; Q206-N209 PolarHBondContact O-N 3.17Å; N209-A212 PolarHBondContact O-N 2.82Å; N209-L213 PolarHBondContact O-N 3.03Å; N209-L213 VanDerWaalsContact O-N 3.1Å
210	C	98.9	Very high	98.4	Very high	1 Å²	1	4 Å²	4	1%	0.007	2%	0.02	C	C	.	.	H	α-helix	trans	-63	-42.3	177.7	-74.4	0	0	0	0	112.9	Q206 L213 L214 V236 M240	Q206-C210 VanDerWaalsContact O-CB 3.28Å; Q206-C210 WeakPolarHBondContact O-CB 3.39Å; Q206-C210 PolarHBondContact O-N 2.98Å; Q206-C210 PolarHBondContact O-SG 3.07Å; C210-L213 PolarHBondContact O-N 2.96Å; C210-L214 WeakPolarHBondContact O-CB 3.37Å; C210-L214 PolarHBondContact O-N 3.35Å; C210-V236 HydrophobicContact CB-CG1 3.99Å; C210-V236 WeakPolarHBondContact O-CG2 3.2Å; C210-M240 HydrophobicContact CB-CG 3.75Å; C210-M240 HydrophobicContact CB-SD 3.8Å
211	V	98.8	Very high	98.3	Very high	2 Å²	2	3.8 Å²	3.8	1%	0.012	2%	0.019	C	C	.	.	H	α-helix	trans	-70.9	-36.2	-179.8	170.2	0	0	0	0	111.9	V156 P207 L214 A215 S268 Q271	V156-V211 HydrophobicContact CG2-CG1 4.3Å; P207-V211 WeakPolarHBondContact O-CB 3.29Å; P207-V211 VanDerWaalsContact O-CG2 3.26Å; P207-V211 WeakPolarHBondContact O-CG2 3.34Å; P207-V211 PolarHBondContact O-N 3.43Å; V211-L214 PolarHBondContact O-N 3.49Å; V211-A215 WeakPolarHBondContact O-CB 3.41Å; V211-A215 PolarHBondContact O-N 3.02Å; V211-S268 VanDerWaalsContact CG2-O 3.25Å; V211-S268 WeakPolarHBondContact CG2-O 3.39Å; V211-Q271 HydrophobicContact CG1-CB 3.9Å
212	A	98.9	Very high	98.1	Very high	0 Å²	0	3.6 Å²	3.6	0%	0	2%	0.019	C	C	.	.	H	α-helix	trans	-61.3	-45.4	173.1	0	0	0	0	0	111.6	A152 L155 V156 T208 N209 A215 G216	A152-A212 HydrophobicContact CB-CB 3.69Å; A152-A212 VanDerWaalsContact O-CB 3.31Å; A152-A212 WeakPolarHBondContact O-CB 3.5Å; L155-A212 HydrophobicContact CB-CB 4.27Å; L155-A212 HydrophobicContact CD2-CB 4.08Å; L155-A212 WeakPolarHBondContact CD2-O 3.41Å; L155-A212 HydrophobicContact CG-CB 4.24Å; V156-A212 HydrophobicContact CB-CB 4.15Å; T208-A212 PolarHBondContact O-N 2.86Å; N209-A212 PolarHBondContact O-N 2.82Å; A212-A215 PolarHBondContact O-N 2.82Å; A212-G216 PolarHBondContact O-N 3.45Å; A212-G216 VanDerWaalsContact O-N 3.13Å
213	L	98.9	Very high	97.7	Very high	1 Å²	1	3.9 Å²	3.9	1%	0.005	2%	0.02	C	C	.	.	H	α-helix	trans	-62.9	-41.1	174.4	-179.4	54.4	0	0	0	112	S185 M188 Y189 N209 C210 G216 S217 W232 V236	S185-L213 VanDerWaalsContact O-CD1 3.24Å; S185-L213 WeakPolarHBondContact O-CD1 3.15Å; M188-L213 HydrophobicContact CB-CD1 4.43Å; M188-L213 HydrophobicContact CG-CB 4.01Å; Y189-L213 HydrophobicContact CD2-CD2 4.48Å; N209-L213 PolarHBondContact O-N 3.03Å; N209-L213 VanDerWaalsContact O-N 3.1Å; C210-L213 PolarHBondContact O-N 2.96Å; L213-G216 PolarHBondContact O-N 3.17Å; L213-S217 WeakPolarHBondContact O-CB 3.46Å; L213-S217 PolarHBondContact O-N 3.19Å; L213-W232 HydrophobicContact CD1-CB 3.87Å; L213-W232 HydrophobicContact CD1-CD2 4.1Å; L213-W232 HydrophobicContact CD1-CE3 4.19Å; L213-W232 HydrophobicContact CD1-CG 3.97Å; L213-W232 HydrophobicContact CG-CB 4.2Å; L213-V236 HydrophobicContact CB-CG2 3.86Å; L213-V236 HydrophobicContact CD2-CG2 3.63Å; L213-V236 HydrophobicContact CG-CG2 3.67Å
214	L	98.9	Very high	97	Very high	0 Å²	0	3.9 Å²	3.9	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-63.2	-45.4	177.2	-177	59.5	0	0	0	111.9	C210 V211 G216 S217 L218 V236 Y272 L275 V276 F280	C210-L214 WeakPolarHBondContact O-CB 3.37Å; C210-L214 PolarHBondContact O-N 3.35Å; V211-L214 PolarHBondContact O-N 3.49Å; L214-G216 PolarHBondContact O-N 3.32Å; L214-S217 WeakPolarHBondContact O-CB 3.45Å; L214-S217 PolarHBondContact O-N 3.17Å; L214-L218 HydrophobicContact CD1-CD1 4.28Å; L214-L218 HydrophobicContact CD1-CG 4.18Å; L214-L218 HydrophobicContact CG-CD1 4.07Å; L214-L218 HydrophobicContact CG-CG 4.4Å; L214-L218 WeakPolarHBondContact O-CB 3.42Å; L214-L218 WeakPolarHBondContact O-CG 3.4Å; L214-L218 PolarHBondContact O-N 3.41Å; L214-V236 HydrophobicContact CB-CG1 4.15Å; L214-Y272 HydrophobicContact CD2-CD2 3.94Å; L214-Y272 HydrophobicContact CD2-CE2 4.4Å; L214-L275 HydrophobicContact CD2-CB 4.25Å; L214-L275 HydrophobicContact CD2-CD1 4.48Å; L214-V276 HydrophobicContact CD2-CG1 3.94Å; L214-F280 HydrophobicContact CD1-CE2 4.22Å
215	A	98.8	Very high	96.5	Very high	1 Å²	1	6.7 Å²	6.7	1%	0.008	3%	0.032	C	C	.	.	H	α-helix	trans	-60.5	-46.6	178.6	0	0	0	0	0	111.3	V156 A159 V211 A212 S217 L218 V219	V156-A215 HydrophobicContact CG2-CB 4.23Å; A159-A215 HydrophobicContact CB-CB 4.29Å; V211-A215 WeakPolarHBondContact O-CB 3.41Å; V211-A215 PolarHBondContact O-N 3.02Å; A212-A215 PolarHBondContact O-N 2.82Å; A215-S217 PolarHBondContact O-N 3.41Å; A215-L218 PolarHBondContact O-N 3.49Å; A215-V219 WeakPolarHBondContact O-CG2 3.38Å; A215-V219 PolarHBondContact O-N 3.25Å; A215-V219 VanDerWaalsContact O-N 3.12Å
216	G	98.8	Very high	96	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-62.5	-41.1	174.4	0	0	0	0	0	112.9	A212 L213 L214 V219 L220	A212-G216 PolarHBondContact O-N 3.45Å; A212-G216 VanDerWaalsContact O-N 3.13Å; L213-G216 PolarHBondContact O-N 3.17Å; L214-G216 PolarHBondContact O-N 3.32Å; G216-V219 PolarHBondContact O-N 3Å; G216-L220 WeakPolarHBondContact O-CD1 3.4Å; G216-L220 PolarHBondContact O-N 3.46Å
217	S	98.8	Very high	95.2	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-62.1	-44.7	176.4	-174.4	0	0	0	0	112.6	L213 L214 A215 L220 M221 A229 T233	L213-S217 WeakPolarHBondContact O-CB 3.46Å; L213-S217 PolarHBondContact O-N 3.19Å; L214-S217 WeakPolarHBondContact O-CB 3.45Å; L214-S217 PolarHBondContact O-N 3.17Å; A215-S217 PolarHBondContact O-N 3.41Å; S217-L220 PolarHBondContact O-N 3.21Å; S217-M221 VanDerWaalsContact O-CB 3.27Å; S217-M221 WeakPolarHBondContact O-CB 3.38Å; S217-M221 PolarHBondContact O-N 3.27Å; S217-A229 WeakPolarHBondContact O-CB 3.3Å; S217-A229 WeakPolarHBondContact OG-CA 3.49Å; S217-A229 PolarHBondContact OG-O 3.04Å; S217-T233 PolarHBondContact OG-OG1 3.28Å
218	L	98.7	Very high	94.6	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-64.1	-40.4	177.3	-72.3	171.1	0	0	0	112	M45 L46 L214 A215 M221 N222 L275 H279 F280	M45-L218 HydrophobicContact CE-CB 4.11Å; L46-L218 HydrophobicContact CD2-CB 3.86Å; L46-L218 HydrophobicContact CD2-CD1 3.94Å; L214-L218 HydrophobicContact CD1-CD1 4.28Å; L214-L218 HydrophobicContact CD1-CG 4.18Å; L214-L218 HydrophobicContact CG-CD1 4.07Å; L214-L218 HydrophobicContact CG-CG 4.4Å; L214-L218 WeakPolarHBondContact O-CB 3.42Å; L214-L218 WeakPolarHBondContact O-CG 3.4Å; L214-L218 PolarHBondContact O-N 3.41Å; A215-L218 PolarHBondContact O-N 3.49Å; L218-M221 HydrophobicContact CD2-CE 3.66Å; L218-M221 HydrophobicContact CD2-SD 4.49Å; L218-M221 PolarHBondContact O-N 3.49Å; L218-N222 WeakPolarHBondContact O-CB 3.19Å; L218-N222 PolarHBondContact O-N 2.89Å; L218-L275 HydrophobicContact CD1-CB 4.32Å; L218-L275 HydrophobicContact CD1-CD1 4.48Å; L218-L275 HydrophobicContact CD1-CD2 4.31Å; L218-H279 HydrophobicContact CD2-CB 3.94Å; L218-F280 HydrophobicContact CD2-CE1 4.39Å; L218-F280 HydrophobicContact CD2-CE2 4.16Å; L218-F280 HydrophobicContact CD2-CZ 3.64Å
219	V	98.4	Very high	94.4	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-61.7	-46.7	174.7	169.9	0	0	0	0	111.1	M45 L46 A159 Y162 L178 I181 A215 G216 N222 Q223	M45-V219 HydrophobicContact CE-CG2 3.99Å; L46-V219 HydrophobicContact CD1-CG2 4.48Å; A159-V219 HydrophobicContact CB-CG2 4.37Å; Y162-V219 HydrophobicContact CD1-CG1 3.59Å; Y162-V219 HydrophobicContact CE1-CG1 3.65Å; L178-V219 HydrophobicContact CD1-CG1 3.78Å; I181-V219 HydrophobicContact CD1-CG1 4.14Å; A215-V219 WeakPolarHBondContact O-CG2 3.38Å; A215-V219 PolarHBondContact O-N 3.25Å; A215-V219 VanDerWaalsContact O-N 3.12Å; G216-V219 PolarHBondContact O-N 3Å; V219-N222 PolarHBondContact O-N 3.14Å; V219-Q223 PolarHBondContact O-N 2.85Å
220	L	96.5	Very high	94.1	Very high	3 Å²	3	10.2 Å²	10.2	2%	0.016	5%	0.048	C	C	.	.	H	α-helix	trans	-65.1	-41.8	176.7	-97.2	76.6	0	0	0	112.6	L178 I181 A182 G216 S217 N222 Q223 G224 Y225 A229 W232	L178-L220 HydrophobicContact CD1-CD1 3.92Å; L178-L220 HydrophobicContact CD1-CG 4.38Å; I181-L220 HydrophobicContact CB-CD1 4.46Å; I181-L220 HydrophobicContact CG2-CD1 3.8Å; A182-L220 HydrophobicContact CB-CD1 4.12Å; A182-L220 HydrophobicContact CB-CD2 3.87Å; A182-L220 HydrophobicContact CB-CG 4.46Å; G216-L220 WeakPolarHBondContact O-CD1 3.4Å; G216-L220 PolarHBondContact O-N 3.46Å; S217-L220 PolarHBondContact O-N 3.21Å; L220-N222 VanDerWaalsContact C-N 3.3Å; L220-N222 PolarHBondContact O-N 3.38Å; L220-Q223 CarbonylContact O-C 3.54Å; L220-Q223 PolarHBondContact O-N 3.43Å; L220-Q223 VanDerWaalsContact O-N 3.09Å; L220-G224 PolarHBondContact O-N 3.49Å; L220-G224 VanDerWaalsContact O-N 3.11Å; L220-Y225 HydrophobicContact CG-CG 4.48Å; L220-Y225 PolarHBondContact O-N 3.04Å; L220-A229 HydrophobicContact CB-CB 4.24Å; L220-W232 HydrophobicContact CD1-CZ3 4.38Å; L220-W232 HydrophobicContact CD2-CH2 3.65Å; L220-W232 HydrophobicContact CD2-CZ3 3.5Å; L220-W232 VanDerWaalsContact CD2-CZ3 3.5Å; L220-W232 HydrophobicContact CG-CZ3 4.4Å
221	M	94.9	Very high	93.8	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.015	6%	0.056	C	C	.	.	H	α-helix	trans	-55.5	-47.7	175.5	-178.5	-173	74.1	0	0	110.2	S217 L218 Q223 G224 L226 A229 F280 F753 L756	S217-M221 VanDerWaalsContact O-CB 3.27Å; S217-M221 WeakPolarHBondContact O-CB 3.38Å; S217-M221 PolarHBondContact O-N 3.27Å; L218-M221 HydrophobicContact CD2-CE 3.66Å; L218-M221 HydrophobicContact CD2-SD 4.49Å; L218-M221 PolarHBondContact O-N 3.49Å; M221-Q223 PolarHBondContact O-N 2.87Å; M221-G224 PolarHBondContact O-N 3.43Å; M221-L226 HydrophobicContact CG-CD2 4.06Å; M221-A229 HydrophobicContact CB-CB 3.92Å; M221-F280 HydrophobicContact CE-CE1 4.37Å; M221-F280 HydrophobicContact SD-CE1 4.04Å; M221-F280 HydrophobicContact SD-CZ 4.38Å; M221-F753 HydrophobicContact CB-CE1 4.36Å; M221-F753 HydrophobicContact CB-CZ 4.28Å; M221-F753 HydrophobicContact CG-CD1 4.34Å; M221-F753 HydrophobicContact CG-CE1 3.84Å; M221-F753 HydrophobicContact CG-CE2 4.24Å; M221-F753 HydrophobicContact CG-CZ 3.8Å; M221-F753 HydrophobicContact SD-CD2 3.93Å; M221-F753 HydrophobicContact SD-CE1 4.11Å; M221-F753 HydrophobicContact SD-CE2 3.4Å; M221-F753 WeakPolarHBondContact SD-CE2 3.47Å; M221-F753 HydrophobicContact SD-CG 4.49Å; M221-F753 HydrophobicContact SD-CZ 3.51Å; M221-F753 VanDerWaalsContact SD-CZ 3.51Å; M221-L756 HydrophobicContact CE-CD1 4.19Å; M221-L756 HydrophobicContact CG-CD1 3.45Å; M221-L756 VanDerWaalsContact CG-CD1 3.45Å; M221-L756 HydrophobicContact SD-CD1 4.01Å
222	N	93.6	Very high	93.7	Very high	7 Å²	7	12.6 Å²	12.6	4%	0.037	6%	0.059	C	C	.	.	H	α-helix	trans	-64.6	-27.2	178.8	-167.9	49.1	0	0	0	113.4	N39 Y40 D41 S42 Y43 M45 L218 V219 L220 G224	N39-N222 PolarHBondContact O-OD1 3.43Å; N39-N222 VanDerWaalsContact O-OD1 3.07Å; Y40-N222 WeakPolarHBondContact CD2-O 3.49Å; D41-N222 PolarHBondContact N-O 3.01Å; S42-N222 PolarHBondContact O-ND2 3.31Å; Y43-N222 WeakPolarHBondContact CE1-ND2 3.35Å; Y43-N222 WeakPolarHBondContact CE2-ND2 3.43Å; Y43-N222 VanDerWaalsContact CZ-ND2 3.28Å; M45-N222 HydrophobicContact CE-CB 4.34Å; M45-N222 HydrophobicContact CG-CB 4.25Å; M45-N222 HydrophobicContact SD-CB 4.48Å; L218-N222 WeakPolarHBondContact O-CB 3.19Å; L218-N222 PolarHBondContact O-N 2.89Å; V219-N222 PolarHBondContact O-N 3.14Å; L220-N222 VanDerWaalsContact C-N 3.3Å; L220-N222 PolarHBondContact O-N 3.38Å; N222-G224 VanDerWaalsContact C-N 3.34Å
223	Q	89.1	Confident	93.7	Very high	19 Å²	19	12.6 Å²	12.6	9%	0.089	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	1.8	172.3	-69.2	-65.8	-87.1	0	0	114.4	Y40 D41 Y43 L178 V219 L220 M221 Y225	Y40-Q223 WeakPolarHBondContact CE2-O 3.5Å; D41-Q223 PolarHBondContact OD1-NE2 3.23Å; Y43-Q223 WeakPolarHBondContact OH-CG 3.25Å; Y43-Q223 PolarHBondContact OH-NE2 2.86Å; L178-Q223 HydrophobicContact CD1-CB 4.42Å; L178-Q223 HydrophobicContact CD1-CG 3.95Å; L178-Q223 HydrophobicContact CD2-CB 3.88Å; L178-Q223 HydrophobicContact CD2-CG 3.73Å; V219-Q223 PolarHBondContact O-N 2.85Å; L220-Q223 CarbonylContact O-C 3.54Å; L220-Q223 PolarHBondContact O-N 3.43Å; L220-Q223 VanDerWaalsContact O-N 3.09Å; M221-Q223 PolarHBondContact O-N 2.87Å; Q223-Y225 HydrophobicContact CB-CD2 3.77Å; Q223-Y225 HydrophobicContact CB-CE2 4.01Å
224	G	84.8	Confident	93.6	Very high	4 Å²	4	14.1 Å²	14.1	4%	0.041	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	12.6	175.4	0	0	0	0	0	114.9	L220 M221 N222 L226 I760	L220-G224 PolarHBondContact O-N 3.49Å; L220-G224 VanDerWaalsContact O-N 3.11Å; M221-G224 PolarHBondContact O-N 3.43Å; N222-G224 VanDerWaalsContact C-N 3.34Å; G224-L226 PolarHBondContact O-N 3.43Å; G224-I760 VanDerWaalsContact CA-CD1 3.48Å
225	Y	87.2	Confident	93.5	Very high	59 Å²	59	14.8 Å²	14.8	23%	0.231	7%	0.069	C	C	.	.			trans	-80.8	62.8	170	-67.4	-94.4	0	0	0	109.7	L178 L220 Q223 Q227 A229	L178-Y225 HydrophobicContact CD2-CD2 4.16Å; L178-Y225 HydrophobicContact CD2-CE2 3.54Å; L220-Y225 HydrophobicContact CG-CG 4.48Å; L220-Y225 PolarHBondContact O-N 3.04Å; Q223-Y225 HydrophobicContact CB-CD2 3.77Å; Q223-Y225 HydrophobicContact CB-CE2 4.01Å; Y225-Q227 VanDerWaalsContact C-N 3.33Å; Y225-Q227 PolarHBondContact O-N 2.87Å; Y225-A229 VanDerWaalsContact O-CB 3.23Å; Y225-A229 WeakPolarHBondContact O-CB 3.14Å; Y225-A229 PolarHBondContact O-N 3.33Å
226	L	86.3	Confident	93.5	Very high	8 Å²	8	14.8 Å²	14.8	4%	0.042	7%	0.068	C	C	.	.	H	α-helix	trans	-71.3	-25.6	-166	-59.8	-176.9	0	0	0	113.2	M221 G224 Y230 F753 L756 E757 I760 L777 F828	M221-L226 HydrophobicContact CG-CD2 4.06Å; G224-L226 PolarHBondContact O-N 3.43Å; L226-Y230 WeakPolarHBondContact O-CB 3.32Å; L226-Y230 PolarHBondContact O-N 3.36Å; L226-F753 HydrophobicContact CB-CD1 4.23Å; L226-F753 HydrophobicContact CD2-CD1 4.07Å; L226-F753 HydrophobicContact CD2-CE1 4.44Å; L226-L756 HydrophobicContact CD1-CB 4.26Å; L226-L756 HydrophobicContact CD2-CB 4.09Å; L226-L756 HydrophobicContact CD2-CD1 4.12Å; L226-E757 HydrophobicContact CD1-CB 3.76Å; L226-E757 HydrophobicContact CD1-CG 4.49Å; L226-I760 HydrophobicContact CD1-CD1 4.1Å; L226-I760 HydrophobicContact CG-CD1 4.42Å; L226-L777 HydrophobicContact CD1-CD2 4.16Å; L226-F828 HydrophobicContact CB-CE1 4.12Å; L226-F828 HydrophobicContact CB-CZ 4.08Å; L226-F828 HydrophobicContact CD1-CZ 4.17Å
227	Q	82.8	Confident	93.5	Very high	48 Å²	48	14.8 Å²	14.8	22%	0.224	7%	0.068	C	C	.	.	H	α-helix	trans	-71.9	-54.5	-175.8	-177.9	169.3	10.5	0	0	112.1	Y225 L231 R779 I831	Y225-Q227 VanDerWaalsContact C-N 3.33Å; Y225-Q227 PolarHBondContact O-N 2.87Å; Q227-L231 PolarHBondContact O-N 2.57Å; Q227-R779 PolarHBondContact OE1-O 3.49Å; Q227-I831 HydrophobicContact CB-CD1 4.14Å; Q227-I831 HydrophobicContact CG-CD1 3.79Å; Q227-I831 HydrophobicContact CG-CG1 4.16Å
228	E	87.1	Confident	93.4	Very high	57 Å²	57	15.3 Å²	15.3	27%	0.266	7%	0.073	S	C	.	.	H	α-helix	trans	-63.2	-47.7	175.8	-64	91.5	155.1	0	0	110.6	Y230 L231 W232	E228-Y230 VanDerWaalsContact C-N 3.29Å; E228-Y230 PolarHBondContact O-N 2.64Å; E228-L231 PolarHBondContact O-N 3.21Å; E228-W232 HydrophobicContact CB-CD2 4.47Å; E228-W232 HydrophobicContact CB-CH2 4.09Å; E228-W232 HydrophobicContact CB-CZ2 3.74Å; E228-W232 HydrophobicContact CG-CZ2 4.31Å; E228-W232 VanDerWaalsContact O-CD1 3.29Å; E228-W232 PolarHBondContact O-N 3.4Å; E228-W232 VanDerWaalsContact O-N 3.09Å
229	A	93.4	Very high	93.4	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.5	-36.9	-178.6	0	0	0	0	0	112.7	S217 L220 M221 Y225 W232 T233 F753	S217-A229 WeakPolarHBondContact O-CB 3.3Å; S217-A229 WeakPolarHBondContact OG-CA 3.49Å; S217-A229 PolarHBondContact OG-O 3.04Å; L220-A229 HydrophobicContact CB-CB 4.24Å; M221-A229 HydrophobicContact CB-CB 3.92Å; Y225-A229 VanDerWaalsContact O-CB 3.23Å; Y225-A229 WeakPolarHBondContact O-CB 3.14Å; Y225-A229 PolarHBondContact O-N 3.33Å; A229-W232 PolarHBondContact O-N 3.4Å; A229-T233 VanDerWaalsContact O-CB 3.28Å; A229-T233 WeakPolarHBondContact O-CB 3.3Å; A229-T233 PolarHBondContact O-N 3.12Å; A229-T233 PolarHBondContact O-OG1 3.26Å; A229-T233 VanDerWaalsContact O-OG1 3.05Å; A229-F753 HydrophobicContact CB-CE1 3.91Å; A229-F753 HydrophobicContact CB-CZ 4.2Å
230	Y	93.3	Very high	93.4	Very high	1 Å²	1	15.9 Å²	15.9	0%	0.004	8%	0.076	C	C	.	.	H	α-helix	trans	-62	-45.9	177.7	-174.2	-87.1	0	0	0	111.9	L226 E228 K234 F749 K750 F753 F828 I831 E832	L226-Y230 WeakPolarHBondContact O-CB 3.32Å; L226-Y230 PolarHBondContact O-N 3.36Å; E228-Y230 VanDerWaalsContact C-N 3.29Å; E228-Y230 PolarHBondContact O-N 2.64Å; Y230-K234 HydrophobicContact CE1-CD 4.38Å; Y230-K234 VanDerWaalsContact O-CB 3.28Å; Y230-K234 WeakPolarHBondContact O-CB 3.09Å; Y230-K234 PolarHBondContact O-N 3.1Å; Y230-F749 HydrophobicContact CD1-CE2 4.26Å; Y230-F749 HydrophobicContact CD2-CD2 4.19Å; Y230-F749 AromaticContact CD2-CE2 3.46Å; Y230-F749 HydrophobicContact CD2-CE2 3.46Å; Y230-F749 VanDerWaalsContact CD2-CE2 3.46Å; Y230-F749 HydrophobicContact CD2-CZ 4.3Å; Y230-F749 HydrophobicContact CE1-CE2 4.09Å; Y230-F749 HydrophobicContact CE1-CZ 4.03Å; Y230-F749 HydrophobicContact CE2-CD2 4.08Å; Y230-F749 AromaticContact CE2-CE2 3.27Å; Y230-F749 HydrophobicContact CE2-CE2 3.27Å; Y230-F749 AromaticContact CE2-CZ 3.77Å; Y230-F749 HydrophobicContact CE2-CZ 3.77Å; Y230-F749 AromaticContact CG-CE2 3.96Å; Y230-F749 HydrophobicContact CG-CE2 3.96Å; Y230-F749 AromaticContact CZ-CE2 3.61Å; Y230-F749 AromaticContact CZ-CZ 3.61Å; Y230-K750 HydrophobicContact CE2-CB 4.21Å; Y230-K750 HydrophobicContact CE2-CG 4.16Å; Y230-F753 VanDerWaalsContact CA-CE1 3.48Å; Y230-F753 HydrophobicContact CD2-CB 4.16Å; Y230-F753 AromaticContact CD2-CD1 3.87Å; Y230-F753 HydrophobicContact CD2-CD1 3.87Å; Y230-F753 HydrophobicContact CD2-CD2 4.24Å; Y230-F753 HydrophobicContact CD2-CE1 4.31Å; Y230-F753 AromaticContact CD2-CG 3.82Å; Y230-F753 HydrophobicContact CD2-CG 3.82Å; Y230-F753 HydrophobicContact CG-CD1 4.44Å; Y230-F753 VanDerWaalsContact N-CE1 3.31Å; Y230-F828 HydrophobicContact CD1-CD1 4.3Å; Y230-F828 HydrophobicContact CD2-CB 4.38Å; Y230-F828 AromaticContact CD2-CD1 3.29Å; Y230-F828 HydrophobicContact CD2-CD1 3.29Å; Y230-F828 AromaticContact CD2-CE1 3.78Å; Y230-F828 HydrophobicContact CD2-CE1 3.78Å; Y230-F828 HydrophobicContact CD2-CG 4Å; Y230-F828 HydrophobicContact CE1-CB 4.49Å; Y230-F828 HydrophobicContact CE2-CB 3.91Å; Y230-F828 AromaticContact CE2-CD1 3.7Å; Y230-F828 HydrophobicContact CE2-CD1 3.7Å; Y230-F828 HydrophobicContact CE2-CE1 4.5Å; Y230-F828 AromaticContact CE2-CG 3.92Å; Y230-F828 HydrophobicContact CE2-CG 3.92Å; Y230-F828 AromaticContact CG-CD1 3.64Å; Y230-F828 HydrophobicContact CG-CD1 3.64Å; Y230-F828 HydrophobicContact CG-CE1 4.16Å; Y230-I831 HydrophobicContact CD1-CG2 4.3Å; Y230-E832 HydrophobicContact CE1-CG 3.77Å; Y230-E832 PolarHBondContact OH-OE1 2.87Å
231	L	91.9	Very high	93.5	Very high	37 Å²	37	15.8 Å²	15.8	19%	0.194	8%	0.075	C	C	.	.	H	α-helix	trans	-63.2	-45.1	179.4	-65.4	174.4	0	0	0	111.5	Y189 Q227 E228 K234 Q235 I831 E835	Y189-L231 HydrophobicContact CE2-CB 4.29Å; Q227-L231 PolarHBondContact O-N 2.57Å; E228-L231 PolarHBondContact O-N 3.21Å; L231-K234 PolarHBondContact O-N 3.42Å; L231-Q235 WeakPolarHBondContact O-CB 3.31Å; L231-Q235 PolarHBondContact O-N 2.99Å; L231-I831 HydrophobicContact CD1-CG2 4.49Å; L231-I831 HydrophobicContact CD2-CG2 3.59Å; L231-I831 HydrophobicContact CG-CG2 3.99Å; L231-E835 HydrophobicContact CD2-CB 3.65Å; L231-E835 HydrophobicContact CD2-CG 3.64Å
232	W	97.1	Very high	93.7	Very high	16 Å²	16	17.5 Å²	17.5	6%	0.061	8%	0.083	C	C	.	.	H	α-helix	trans	-67.1	-46.3	-178.7	-58.1	-8.9	0	0	0	111.5	A182 Y189 L213 L220 E228 A229 K234 Q235 V236	A182-W232 HydrophobicContact CB-CH2 4.49Å; A182-W232 WeakPolarHBondContact O-CH2 3.29Å; Y189-W232 AromaticContact CD1-CD1 3.75Å; Y189-W232 AromaticContact CD1-NE1 3.75Å; Y189-W232 HydrophobicContact CD2-CB 4.45Å; Y189-W232 AromaticContact CD2-CD1 3.38Å; Y189-W232 HydrophobicContact CD2-CG 4.18Å; Y189-W232 AromaticContact CE2-CD1 3.94Å; Y189-W232 AromaticContact CG-CD1 3.25Å; Y189-W232 HydrophobicContact CG-CG 4.21Å; Y189-W232 AromaticContact CG-NE1 3.61Å; L213-W232 HydrophobicContact CD1-CB 3.87Å; L213-W232 HydrophobicContact CD1-CD2 4.1Å; L213-W232 HydrophobicContact CD1-CE3 4.19Å; L213-W232 HydrophobicContact CD1-CG 3.97Å; L213-W232 HydrophobicContact CG-CB 4.2Å; L220-W232 HydrophobicContact CD1-CZ3 4.38Å; L220-W232 HydrophobicContact CD2-CH2 3.65Å; L220-W232 HydrophobicContact CD2-CZ3 3.5Å; L220-W232 VanDerWaalsContact CD2-CZ3 3.5Å; L220-W232 HydrophobicContact CG-CZ3 4.4Å; E228-W232 HydrophobicContact CB-CD2 4.47Å; E228-W232 HydrophobicContact CB-CH2 4.09Å; E228-W232 HydrophobicContact CB-CZ2 3.74Å; E228-W232 HydrophobicContact CG-CZ2 4.31Å; E228-W232 VanDerWaalsContact O-CD1 3.29Å; E228-W232 PolarHBondContact O-N 3.4Å; E228-W232 VanDerWaalsContact O-N 3.09Å; A229-W232 PolarHBondContact O-N 3.4Å; W232-K234 PolarHBondContact O-N 3.3Å; W232-Q235 PolarHBondContact O-N 3.43Å; W232-V236 WeakPolarHBondContact O-CG2 3.35Å; W232-V236 PolarHBondContact O-N 3.3Å
233	T	98.4	Very high	94	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-57.5	-49.8	175.2	-69.4	0	0	0	0	110.3	S217 A229 Q235 V236 L237 F280 F749 F753	S217-T233 PolarHBondContact OG-OG1 3.28Å; A229-T233 VanDerWaalsContact O-CB 3.28Å; A229-T233 WeakPolarHBondContact O-CB 3.3Å; A229-T233 PolarHBondContact O-N 3.12Å; A229-T233 PolarHBondContact O-OG1 3.26Å; A229-T233 VanDerWaalsContact O-OG1 3.05Å; T233-Q235 VanDerWaalsContact C-N 3.32Å; T233-Q235 PolarHBondContact O-N 2.93Å; T233-V236 PolarHBondContact O-N 2.74Å; T233-L237 HydrophobicContact CG2-CD1 3.86Å; T233-L237 HydrophobicContact CG2-CG 4.19Å; T233-L237 VanDerWaalsContact O-CG 3.31Å; T233-L237 WeakPolarHBondContact O-CG 3.37Å; T233-L237 PolarHBondContact O-N 3.47Å; T233-F280 HydrophobicContact CG2-CE1 4.47Å; T233-F280 HydrophobicContact CG2-CE2 3.71Å; T233-F280 HydrophobicContact CG2-CZ 3.65Å; T233-F749 HydrophobicContact CG2-CB 4.23Å; T233-F749 HydrophobicContact CG2-CD2 3.72Å; T233-F749 HydrophobicContact CG2-CE2 4.25Å; T233-F749 HydrophobicContact CG2-CG 4.01Å; T233-F753 HydrophobicContact CG2-CE2 4.31Å
234	K	96.6	Very high	94.4	Very high	33 Å²	33	16.7 Å²	16.7	14%	0.143	8%	0.079	C	C	.	.	H	α-helix	trans	-57.4	-43.7	179.7	-173.2	-179.4	178.9	-177	0	112.5	Y230 L231 W232 A238 F749 E832 E835	Y230-K234 HydrophobicContact CE1-CD 4.38Å; Y230-K234 VanDerWaalsContact O-CB 3.28Å; Y230-K234 WeakPolarHBondContact O-CB 3.09Å; Y230-K234 PolarHBondContact O-N 3.1Å; L231-K234 PolarHBondContact O-N 3.42Å; W232-K234 PolarHBondContact O-N 3.3Å; K234-A238 VanDerWaalsContact O-CB 3.28Å; K234-A238 WeakPolarHBondContact O-CB 3.47Å; K234-A238 PolarHBondContact O-N 2.92Å; K234-F749 HydrophobicContact CB-CE1 4.36Å; K234-F749 HydrophobicContact CB-CE2 4.3Å; K234-F749 HydrophobicContact CB-CZ 3.69Å; K234-F749 HydrophobicContact CD-CZ 4.42Å; K234-F749 HydrophobicContact CG-CE1 4.38Å; K234-F749 HydrophobicContact CG-CZ 3.99Å; K234-E832 IonicContact NZ-OE1 3.78Å; K234-E835 IonicContact NZ-OE2 3.37Å; K234-E835 PolarHBondContact NZ-OE2 3.25Å
235	Q	96.8	Very high	95.1	Very high	15 Å²	15	16.6 Å²	16.6	7%	0.07	8%	0.078	C	C	.	.	H	α-helix	trans	-66.7	-44.2	179.4	176.9	65.4	-6.1	0	0	111.9	Y189 S192 Y193 L231 W232 T233 A238 I239	Y189-Q235 HydrophobicContact CD2-CB 4Å; Y189-Q235 HydrophobicContact CD2-CG 4.13Å; Y189-Q235 HydrophobicContact CE2-CB 3.72Å; Y189-Q235 HydrophobicContact CE2-CG 4.07Å; S192-Q235 WeakPolarHBondContact OG-CG 3.42Å; S192-Q235 PolarHBondContact OG-NE2 3.33Å; Y193-Q235 HydrophobicContact CE2-CG 4.49Å; L231-Q235 WeakPolarHBondContact O-CB 3.31Å; L231-Q235 PolarHBondContact O-N 2.99Å; W232-Q235 PolarHBondContact O-N 3.43Å; T233-Q235 VanDerWaalsContact C-N 3.32Å; T233-Q235 PolarHBondContact O-N 2.93Å; Q235-A238 PolarHBondContact O-N 2.65Å; Q235-I239 HydrophobicContact CG-CD1 4.16Å; Q235-I239 WeakPolarHBondContact O-CG1 3.39Å; Q235-I239 PolarHBondContact O-N 3.45Å; Q235-I239 VanDerWaalsContact O-N 3.1Å
236	V	98.8	Very high	95.6	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-59.2	-49.8	175.3	169.3	0	0	0	0	111	C210 L213 L214 W232 T233 A238 I239 M240 Y272	C210-V236 HydrophobicContact CB-CG1 3.99Å; C210-V236 WeakPolarHBondContact O-CG2 3.2Å; L213-V236 HydrophobicContact CB-CG2 3.86Å; L213-V236 HydrophobicContact CD2-CG2 3.63Å; L213-V236 HydrophobicContact CG-CG2 3.67Å; L214-V236 HydrophobicContact CB-CG1 4.15Å; W232-V236 WeakPolarHBondContact O-CG2 3.35Å; W232-V236 PolarHBondContact O-N 3.3Å; T233-V236 PolarHBondContact O-N 2.74Å; V236-A238 VanDerWaalsContact C-N 3.32Å; V236-A238 PolarHBondContact O-N 3.36Å; V236-I239 PolarHBondContact O-N 3.03Å; V236-M240 HydrophobicContact CG1-CG 4.18Å; V236-M240 WeakPolarHBondContact O-CB 3.49Å; V236-M240 WeakPolarHBondContact O-CG 3.22Å; V236-M240 PolarHBondContact O-N 2.86Å; V236-Y272 HydrophobicContact CG1-CD2 4.39Å; V236-Y272 HydrophobicContact CG1-CE2 4.04Å
237	L	98.6	Very high	96.2	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-59.9	-43.6	178.1	-65.1	180	0	0	0	110.9	T233 I239 M240 E241 Y272 V276 I282 L746 F749	T233-L237 HydrophobicContact CG2-CD1 3.86Å; T233-L237 HydrophobicContact CG2-CG 4.19Å; T233-L237 VanDerWaalsContact O-CG 3.31Å; T233-L237 WeakPolarHBondContact O-CG 3.37Å; T233-L237 PolarHBondContact O-N 3.47Å; L237-I239 VanDerWaalsContact C-N 3.28Å; L237-I239 PolarHBondContact O-N 2.9Å; L237-M240 PolarHBondContact O-N 3.37Å; L237-E241 WeakPolarHBondContact O-CB 3.26Å; L237-E241 WeakPolarHBondContact O-CG 3.26Å; L237-E241 PolarHBondContact O-N 2.99Å; L237-Y272 HydrophobicContact CD2-CE2 4.03Å; L237-Y272 VanDerWaalsContact CD2-OH 3.29Å; L237-Y272 WeakPolarHBondContact CD2-OH 3.23Å; L237-V276 HydrophobicContact CD2-CB 4.49Å; L237-V276 HydrophobicContact CD2-CG1 3.76Å; L237-I282 HydrophobicContact CD1-CD1 4.09Å; L237-I282 HydrophobicContact CD2-CD1 4.06Å; L237-L746 HydrophobicContact CB-CD2 3.47Å; L237-L746 VanDerWaalsContact CB-CD2 3.47Å; L237-L746 HydrophobicContact CD1-CD2 4.33Å; L237-F749 HydrophobicContact CD1-CB 4.04Å; L237-F749 HydrophobicContact CD1-CD1 3.57Å; L237-F749 HydrophobicContact CD1-CE1 4.25Å; L237-F749 HydrophobicContact CD1-CG 3.91Å
238	A	97.4	Very high	96.9	Very high	12 Å²	12	14 Å²	14	10%	0.099	7%	0.068	C	C	.	.	H	α-helix	trans	-63.7	-30.2	-179.6	0	0	0	0	0	114	K234 Q235 V236 K242 L746	K234-A238 VanDerWaalsContact O-CB 3.28Å; K234-A238 WeakPolarHBondContact O-CB 3.47Å; K234-A238 PolarHBondContact O-N 2.92Å; Q235-A238 PolarHBondContact O-N 2.65Å; V236-A238 VanDerWaalsContact C-N 3.32Å; V236-A238 PolarHBondContact O-N 3.36Å; A238-K242 VanDerWaalsContact O-CD 3.31Å; A238-K242 WeakPolarHBondContact O-CD 3.37Å; A238-K242 WeakPolarHBondContact O-CE 3.48Å; A238-K242 VanDerWaalsContact O-CG 3.3Å; A238-K242 WeakPolarHBondContact O-CG 3.41Å; A238-L746 HydrophobicContact CB-CD1 4.44Å; A238-L746 HydrophobicContact CB-CD2 4.46Å
239	I	98.5	Very high	97.5	Very high	9 Å²	9	11.4 Å²	11.4	5%	0.046	6%	0.056	C	C	.	.	H	α-helix	trans	-78.9	-54	175.6	-66.3	167.5	0	0	0	110	W197 Q206 Q235 V236 L237 K242 A243	W197-I239 HydrophobicContact CZ3-CD1 4.45Å; Q206-I239 HydrophobicContact CG-CG2 3.7Å; Q235-I239 HydrophobicContact CG-CD1 4.16Å; Q235-I239 WeakPolarHBondContact O-CG1 3.39Å; Q235-I239 PolarHBondContact O-N 3.45Å; Q235-I239 VanDerWaalsContact O-N 3.1Å; V236-I239 PolarHBondContact O-N 3.03Å; L237-I239 VanDerWaalsContact C-N 3.28Å; L237-I239 PolarHBondContact O-N 2.9Å; I239-K242 PolarHBondContact O-N 3.14Å; I239-A243 PolarHBondContact O-N 3.06Å
240	M	98.8	Very high	97.7	Very high	3 Å²	3	11.9 Å²	11.9	2%	0.015	6%	0.059	C	C	.	.	H	α-helix	trans	-69.6	-38.5	-171.8	-71.2	-60.9	-62	0	0	113.1	Q206 P207 C210 V236 L237 K242 A243 I244 L269 Y272	Q206-M240 HydrophobicContact CG-SD 4.39Å; P207-M240 HydrophobicContact CB-CE 3.87Å; P207-M240 HydrophobicContact CB-SD 4.1Å; C210-M240 HydrophobicContact CB-CG 3.75Å; C210-M240 HydrophobicContact CB-SD 3.8Å; V236-M240 HydrophobicContact CG1-CG 4.18Å; V236-M240 WeakPolarHBondContact O-CB 3.49Å; V236-M240 WeakPolarHBondContact O-CG 3.22Å; V236-M240 PolarHBondContact O-N 2.86Å; L237-M240 PolarHBondContact O-N 3.37Å; M240-K242 VanDerWaalsContact C-N 3.29Å; M240-K242 PolarHBondContact O-N 3.05Å; M240-A243 WeakPolarHBondContact O-CB 3.47Å; M240-A243 PolarHBondContact O-N 3.09Å; M240-A243 VanDerWaalsContact O-N 3.14Å; M240-I244 WeakPolarHBondContact O-CG1 3.19Å; M240-I244 PolarHBondContact O-N 2.79Å; M240-L269 HydrophobicContact CE-CD1 3.69Å; M240-Y272 HydrophobicContact CB-CD1 4.41Å; M240-Y272 HydrophobicContact CB-CD2 4.07Å; M240-Y272 HydrophobicContact CB-CE1 3.89Å; M240-Y272 HydrophobicContact CB-CE2 3.48Å; M240-Y272 VanDerWaalsContact CB-CE2 3.48Å; M240-Y272 HydrophobicContact CB-CG 4.48Å; M240-Y272 HydrophobicContact CE-CD1 4.12Å; M240-Y272 HydrophobicContact CE-CD2 4.31Å; M240-Y272 HydrophobicContact CE-CG 3.94Å; M240-Y272 HydrophobicContact CG-CD2 3.91Å; M240-Y272 HydrophobicContact CG-CE2 3.73Å; M240-Y272 HydrophobicContact CG-CG 4.45Å
241	E	98.7	Very high	97.9	Very high	1 Å²	1	14.2 Å²	14.2	1%	0.005	7%	0.073	C	C	.	.	H	α-helix	trans	-64.7	-34.7	178.5	-69.2	-62	139.4	0	0	111.8	L237 I244 V245 Y272 H284 V742 N745	L237-E241 WeakPolarHBondContact O-CB 3.26Å; L237-E241 WeakPolarHBondContact O-CG 3.26Å; L237-E241 PolarHBondContact O-N 2.99Å; E241-I244 PolarHBondContact O-N 3.34Å; E241-V245 WeakPolarHBondContact O-CG2 3.39Å; E241-V245 PolarHBondContact O-N 3.08Å; E241-Y272 PolarHBondContact OE1-OH 3.41Å; E241-H284 IonicContact OE1-CD2 2.76Å; E241-H284 IonicContact OE1-CE1 3.78Å; E241-H284 PolarHBondContact OE1-CE1 3.34Å; E241-H284 IonicContact OE1-NE2 2.86Å; E241-H284 PolarHBondContact OE1-NE2 2.9Å; E241-H284 IonicContact OE2-CE1 3.8Å; E241-H284 PolarHBondContact OE2-CE1 2.99Å; E241-H284 IonicContact OE2-NE2 3.75Å; E241-H284 PolarHBondContact OE2-NE2 3.5Å; E241-V742 HydrophobicContact CB-CB 4.42Å; E241-V742 HydrophobicContact CB-CG1 3.97Å; E241-V742 HydrophobicContact CB-CG2 4.03Å; E241-N745 HydrophobicContact CG-CB 4.25Å; E241-N745 PolarHBondContact OE2-ND2 2.81Å
242	K	98.8	Very high	98.3	Very high	39 Å²	39	12.8 Å²	12.8	17%	0.17	7%	0.066	C	C	.	.	H	α-helix	trans	-65.2	-45.9	171.7	-68.1	178.1	-176.3	178.1	0	111.2	Y201 A238 I239 M240 I244 V245 L246 W439 V742	Y201-K242 HydrophobicContact CD1-CB 4.25Å; Y201-K242 HydrophobicContact CE1-CB 3.71Å; Y201-K242 HydrophobicContact CE1-CD 4.01Å; Y201-K242 WeakPolarHBondContact OH-CD 3.47Å; A238-K242 VanDerWaalsContact O-CD 3.31Å; A238-K242 WeakPolarHBondContact O-CD 3.37Å; A238-K242 WeakPolarHBondContact O-CE 3.48Å; A238-K242 VanDerWaalsContact O-CG 3.3Å; A238-K242 WeakPolarHBondContact O-CG 3.41Å; I239-K242 PolarHBondContact O-N 3.14Å; M240-K242 VanDerWaalsContact C-N 3.29Å; M240-K242 PolarHBondContact O-N 3.05Å; K242-I244 VanDerWaalsContact C-N 3.31Å; K242-I244 PolarHBondContact O-N 2.73Å; K242-V245 PolarHBondContact O-N 2.95Å; K242-L246 VanDerWaalsContact O-CG 3.29Å; K242-L246 WeakPolarHBondContact O-CG 3.44Å; K242-L246 PolarHBondContact O-N 3.39Å; K242-W439 HydrophobicContact CB-CD2 4.37Å; K242-W439 HydrophobicContact CB-CE3 3.97Å; K242-W439 HydrophobicContact CB-CH2 4.3Å; K242-W439 HydrophobicContact CB-CZ3 3.94Å; K242-W439 HydrophobicContact CD-CD2 3.88Å; K242-W439 HydrophobicContact CD-CE3 4.3Å; K242-W439 HydrophobicContact CD-CG 4.04Å; K242-W439 HydrophobicContact CD-CZ2 4.49Å; K242-W439 HydrophobicContact CG-CD2 3.88Å; K242-W439 HydrophobicContact CG-CE3 3.93Å; K242-W439 HydrophobicContact CG-CH2 3.9Å; K242-W439 HydrophobicContact CG-CZ2 3.84Å; K242-W439 HydrophobicContact CG-CZ3 3.95Å; K242-V742 HydrophobicContact CG-CG2 4.17Å
243	A	98.8	Very high	98.3	Very high	5 Å²	5	12 Å²	12	4%	0.041	6%	0.063	C	C	.	.	H	α-helix	trans	-58.1	-44.8	177.4	0	0	0	0	0	111.3	Y201 L202 Q206 I239 M240 V245 L246 L247	Y201-A243 HydrophobicContact CD1-CB 4.19Å; L202-A243 HydrophobicContact CD2-CB 4.11Å; L202-A243 WeakPolarHBondContact CD2-O 3.31Å; Q206-A243 VanDerWaalsContact OE1-CB 3.26Å; I239-A243 PolarHBondContact O-N 3.06Å; M240-A243 WeakPolarHBondContact O-CB 3.47Å; M240-A243 PolarHBondContact O-N 3.09Å; M240-A243 VanDerWaalsContact O-N 3.14Å; A243-V245 PolarHBondContact O-N 2.97Å; A243-L246 PolarHBondContact O-N 3.08Å; A243-L247 WeakPolarHBondContact O-CB 3.21Å; A243-L247 PolarHBondContact O-N 3.35Å
244	I	98.6	Very high	98.4	Very high	3 Å²	3	12 Å²	12	2%	0.015	6%	0.063	C	C	.	.	H	α-helix	trans	-62	-42.1	176.8	-70.7	173.8	0	0	0	111.4	M240 E241 K242 L246 L247 Q248 L269 Y272 M273 H287	M240-I244 WeakPolarHBondContact O-CG1 3.19Å; M240-I244 PolarHBondContact O-N 2.79Å; E241-I244 PolarHBondContact O-N 3.34Å; K242-I244 VanDerWaalsContact C-N 3.31Å; K242-I244 PolarHBondContact O-N 2.73Å; I244-L246 PolarHBondContact O-N 2.64Å; I244-L247 WeakPolarHBondContact O-CB 3.12Å; I244-L247 PolarHBondContact O-N 2.8Å; I244-Q248 PolarHBondContact O-N 3.07Å; I244-L269 HydrophobicContact CD1-CD1 4.42Å; I244-L269 HydrophobicContact CG1-CD1 4.21Å; I244-Y272 HydrophobicContact CD1-CD1 3.87Å; I244-Y272 HydrophobicContact CD1-CE1 3.46Å; I244-Y272 VanDerWaalsContact CD1-CE1 3.46Å; I244-M273 HydrophobicContact CD1-CE 4.48Å; I244-H287 PolarHBondContact O-NE2 3.17Å
245	V	98.8	Very high	98.5	Very high	2 Å²	2	10.9 Å²	10.9	1%	0.012	6%	0.058	C	C	.	.	H	α-helix	trans	-62.1	-44.5	175.5	172.5	0	0	0	0	111.6	E241 K242 A243 L247 Q248 Y436 W439 V735 I741 V742	E241-V245 WeakPolarHBondContact O-CG2 3.39Å; E241-V245 PolarHBondContact O-N 3.08Å; K242-V245 PolarHBondContact O-N 2.95Å; A243-V245 PolarHBondContact O-N 2.97Å; V245-L247 VanDerWaalsContact C-N 3.29Å; V245-L247 PolarHBondContact O-N 2.93Å; V245-Q248 VanDerWaalsContact O-CB 3.3Å; V245-Q248 WeakPolarHBondContact O-CB 3.36Å; V245-Q248 WeakPolarHBondContact O-CG 3.28Å; V245-Q248 PolarHBondContact O-N 3.05Å; V245-Y436 HydrophobicContact CG1-CE1 4.12Å; V245-W439 HydrophobicContact CB-CH2 4.22Å; V245-W439 HydrophobicContact CB-CZ3 4.09Å; V245-W439 HydrophobicContact CG1-CH2 4.22Å; V245-W439 HydrophobicContact CG1-CZ3 4.07Å; V245-W439 HydrophobicContact CG2-CH2 4.45Å; V245-V735 HydrophobicContact CG1-CB 4.02Å; V245-V735 HydrophobicContact CG1-CG1 4.03Å; V245-V735 HydrophobicContact CG1-CG2 4.27Å; V245-I741 HydrophobicContact CG2-CB 4.4Å; V245-I741 HydrophobicContact CG2-CG2 3.88Å; V245-V742 HydrophobicContact CG2-CG2 4.17Å
246	L	98.8	Very high	98.5	Very high	1 Å²	1	10.7 Å²	10.7	1%	0.005	6%	0.057	C	C	.	.	H	α-helix	trans	-63.3	-36.5	177.2	-62.1	170.2	0	0	0	111.8	Y201 K242 A243 I244 Q248 E249 I430 Y436 W439 I440 F446	Y201-L246 HydrophobicContact CD1-CD1 4.32Å; Y201-L246 HydrophobicContact CD2-CD1 3.67Å; Y201-L246 HydrophobicContact CE2-CD1 4.38Å; Y201-L246 HydrophobicContact CG-CD1 3.63Å; K242-L246 VanDerWaalsContact O-CG 3.29Å; K242-L246 WeakPolarHBondContact O-CG 3.44Å; K242-L246 PolarHBondContact O-N 3.39Å; A243-L246 PolarHBondContact O-N 3.08Å; I244-L246 PolarHBondContact O-N 2.64Å; L246-Q248 PolarHBondContact O-N 3.41Å; L246-Q248 VanDerWaalsContact O-N 3.17Å; L246-E249 PolarHBondContact O-N 2.95Å; L246-E249 VanDerWaalsContact O-N 3.17Å; L246-I430 HydrophobicContact CD2-CD1 4.18Å; L246-Y436 HydrophobicContact CD2-CD1 3.98Å; L246-Y436 HydrophobicContact CD2-CD2 3.37Å; L246-Y436 HydrophobicContact CD2-CE1 4.22Å; L246-Y436 HydrophobicContact CD2-CE2 3.65Å; L246-Y436 HydrophobicContact CD2-CG 3.56Å; L246-W439 HydrophobicContact CD2-CE3 4.41Å; L246-I440 HydrophobicContact CD1-CD1 4.01Å; L246-I440 HydrophobicContact CD2-CG1 4.48Å; L246-F446 HydrophobicContact CD1-CE1 4.43Å; L246-F446 HydrophobicContact CD1-CZ 4.37Å
247	L	98.7	Very high	98.5	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.01	6%	0.057	C	C	.	.	H	α-helix	trans	-62.5	-19.6	177.9	-168.1	59.3	0	0	0	112.9	L202 A243 I244 V245 E249 V250 L255 L269 W289	L202-L247 HydrophobicContact CD1-CD1 4.36Å; L202-L247 HydrophobicContact CD2-CB 4.01Å; L202-L247 HydrophobicContact CD2-CD1 4.08Å; L202-L247 HydrophobicContact CD2-CG 4.48Å; A243-L247 WeakPolarHBondContact O-CB 3.21Å; A243-L247 PolarHBondContact O-N 3.35Å; I244-L247 WeakPolarHBondContact O-CB 3.12Å; I244-L247 PolarHBondContact O-N 2.8Å; V245-L247 VanDerWaalsContact C-N 3.29Å; V245-L247 PolarHBondContact O-N 2.93Å; L247-E249 PolarHBondContact O-N 3.32Å; L247-V250 HydrophobicContact CD1-CB 4.21Å; L247-V250 HydrophobicContact CD1-CG2 4.04Å; L247-V250 PolarHBondContact O-N 2.94Å; L247-V250 VanDerWaalsContact O-N 3.13Å; L247-L255 HydrophobicContact CD1-CD2 4.18Å; L247-L269 HydrophobicContact CD2-CD2 3.86Å; L247-W289 HydrophobicContact CD1-CD2 3.98Å; L247-W289 HydrophobicContact CD1-CG 3.87Å; L247-W289 HydrophobicContact CD2-CD2 3.62Å; L247-W289 HydrophobicContact CD2-CE3 3.55Å; L247-W289 HydrophobicContact CD2-CG 4.09Å; L247-W289 HydrophobicContact CD2-CH2 4.43Å; L247-W289 HydrophobicContact CD2-CZ2 4.47Å; L247-W289 HydrophobicContact CD2-CZ3 3.99Å; L247-W289 HydrophobicContact CG-CB 4.03Å; L247-W289 HydrophobicContact CG-CD2 3.77Å; L247-W289 HydrophobicContact CG-CE3 4.18Å; L247-W289 HydrophobicContact CG-CG 3.68Å
248	Q	97.9	Very high	98.5	Very high	59 Å²	59	10.8 Å²	10.8	28%	0.276	6%	0.057	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-23.7	175.4	-66	-175.8	11	0	0	113.1	I244 V245 L246 V250 H287 P288 V735	I244-Q248 PolarHBondContact O-N 3.07Å; V245-Q248 VanDerWaalsContact O-CB 3.3Å; V245-Q248 WeakPolarHBondContact O-CB 3.36Å; V245-Q248 WeakPolarHBondContact O-CG 3.28Å; V245-Q248 PolarHBondContact O-N 3.05Å; L246-Q248 PolarHBondContact O-N 3.41Å; L246-Q248 VanDerWaalsContact O-N 3.17Å; Q248-V250 VanDerWaalsContact C-N 3.33Å; Q248-H287 WeakPolarHBondContact CG-NE2 3.46Å; Q248-P288 HydrophobicContact CB-CG 4.32Å; Q248-P288 HydrophobicContact CG-CG 4.29Å; Q248-V735 HydrophobicContact CB-CG2 3.88Å; Q248-V735 HydrophobicContact CG-CG2 4.45Å
249	E	98.3	Very high	98.6	Very high	2 Å²	2	10.2 Å²	10.2	1%	0.009	5%	0.053	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81	-14.6	178.5	-62.8	-157.7	-171.3	0	0	114	L246 L247 T251 R425 A426 K435 Y436 V732	L246-E249 PolarHBondContact O-N 2.95Å; L246-E249 VanDerWaalsContact O-N 3.17Å; L247-E249 PolarHBondContact O-N 3.32Å; E249-T251 PolarHBondContact O-N 3.01Å; E249-R425 PolarHBondContact O-NH2 3.29Å; E249-A426 HydrophobicContact CB-CB 3.81Å; E249-K435 WeakPolarHBondContact OE1-CE 3.48Å; E249-K435 IonicContact OE1-NZ 2.71Å; E249-K435 PolarHBondContact OE1-NZ 3.42Å; E249-K435 IonicContact OE2-NZ 2.61Å; E249-K435 PolarHBondContact OE2-NZ 3.3Å; E249-Y436 WeakPolarHBondContact OE1-CE2 3.37Å; E249-Y436 PolarHBondContact OE1-OH 2.97Å; E249-V732 HydrophobicContact CB-CG1 4.26Å; E249-V732 HydrophobicContact CG-CG1 4.14Å
250	V	98.6	Very high	98.6	Very high	9 Å²	9	9.8 Å²	9.8	6%	0.055	5%	0.05	C	C	.	.			trans	-81.7	96	172.7	-174	0	0	0	0	108.1	L247 Q248 S254 D396 A426	L247-V250 HydrophobicContact CD1-CB 4.21Å; L247-V250 HydrophobicContact CD1-CG2 4.04Å; L247-V250 PolarHBondContact O-N 2.94Å; L247-V250 VanDerWaalsContact O-N 3.13Å; Q248-V250 VanDerWaalsContact C-N 3.33Å; V250-S254 WeakPolarHBondContact CG1-O 3.42Å; V250-D396 HydrophobicContact CG1-CB 4.17Å; V250-A426 HydrophobicContact CG2-CB 3.72Å
251	T	98.1	Very high	98.6	Very high	51 Å²	51	10.7 Å²	10.7	31%	0.313	5%	0.054	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-11.9	-167.7	52	0	0	0	0	115	E249 Q292 E395 R425 V732	E249-T251 PolarHBondContact O-N 3.01Å; T251-Q292 WeakPolarHBondContact O-CG 3.46Å; T251-E395 WeakPolarHBondContact CB-OE1 3.29Å; T251-E395 PolarHBondContact OG1-OE1 3.03Å; T251-R425 PolarHBondContact OG1-NH2 2.84Å; T251-V732 HydrophobicContact CG2-CG2 4.07Å
252	D	98.5	Very high	98.6	Very high	6 Å²	6	10.6 Å²	10.6	3%	0.032	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	3.9	-174.5	63.1	7.4	0	0	0	113.7	S254 F394 E395 D396 W397	D252-S254 PolarHBondContact O-N 2.85Å; D252-S254 WeakPolarHBondContact OD1-CB 3.4Å; D252-S254 PolarHBondContact OD1-N 2.93Å; D252-S254 PolarHBondContact OD1-OG 3.16Å; D252-S254 PolarHBondContact OD2-OG 3.31Å; D252-F394 HydrophobicContact CB-CB 4.4Å; D252-F394 HydrophobicContact CB-CD1 4.08Å; D252-F394 VanDerWaalsContact OD2-CA 3.29Å; D252-F394 WeakPolarHBondContact OD2-CA 3.41Å; D252-F394 VanDerWaalsContact OD2-CB 3.28Å; D252-F394 WeakPolarHBondContact OD2-CB 3.49Å; D252-E395 WeakPolarHBondContact CB-OE2 3.28Å; D252-E395 PolarHBondContact OD2-N 2.88Å; D252-D396 WeakPolarHBondContact OD2-CA 3.41Å; D252-D396 VanDerWaalsContact OD2-CB 3.26Å; D252-D396 WeakPolarHBondContact OD2-CB 3.41Å; D252-D396 PolarHBondContact OD2-N 3.49Å; D252-W397 PolarHBondContact OD2-N 3.06Å
253	G	98.6	Very high	98.6	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	5%	0.046	C	C	.	.	S	Bend	trans	74.4	3.5	-179.7	0	0	0	0	0	114.5	W289 H293 F296	G253-W289 VanDerWaalsContact C-NE1 3.29Å; G253-W289 VanDerWaalsContact CA-CD1 3.48Å; G253-W289 PolarHBondContact O-NE1 3.46Å; G253-H293 PolarHBondContact O-ND1 3.24Å; G253-F296 WeakPolarHBondContact O-CB 3.26Å
254	S	98.9	Very high	98.6	Very high	1 Å²	1	9.1 Å²	9.1	1%	0.007	5%	0.046	C	C	.	.			trans	-77.7	174	-178.8	72.6	0	0	0	0	113.6	V250 D252 W289	V250-S254 WeakPolarHBondContact CG1-O 3.42Å; D252-S254 PolarHBondContact O-N 2.85Å; D252-S254 WeakPolarHBondContact OD1-CB 3.4Å; D252-S254 PolarHBondContact OD1-N 2.93Å; D252-S254 PolarHBondContact OD1-OG 3.16Å; D252-S254 PolarHBondContact OD2-OG 3.31Å; S254-W289 PolarHBondContact O-NE1 2.93Å
255	L	98.9	Very high	98.6	Very high	8 Å²	8	9.2 Å²	9.2	4%	0.042	5%	0.047	C	C	.	.			trans	-134.6	133.8	165.5	-72	169.5	0	0	0	108.1	L247 E257 G258 T265 T266 W289	L247-L255 HydrophobicContact CD1-CD2 4.18Å; L255-E257 PolarHBondContact O-N 3.15Å; L255-G258 PolarHBondContact O-N 3.12Å; L255-G258 VanDerWaalsContact O-N 3.14Å; L255-T265 HydrophobicContact CD1-CG2 3.73Å; L255-T265 HydrophobicContact CD2-CG2 4.46Å; L255-T266 HydrophobicContact CD1-CG2 3.96Å; L255-W289 HydrophobicContact CD1-CZ2 4.1Å; L255-W289 HydrophobicContact CD2-CZ2 4.14Å; L255-W289 HydrophobicContact CG-CZ2 4Å
256	Y	98.6	Very high	98.6	Very high	11 Å²	11	9.1 Å²	9.1	4%	0.043	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-27.9	-170.4	71.2	-85.4	0	0	0	113.7	L202 G258 W397 G423 I427 N447 E451	L202-Y256 HydrophobicContact CB-CE1 4.39Å; Y256-G258 PolarHBondContact O-N 3.41Å; Y256-G258 VanDerWaalsContact O-N 3.11Å; Y256-W397 PolarHBondContact O-NE1 3.47Å; Y256-G423 VanDerWaalsContact CB-O 3.31Å; Y256-G423 WeakPolarHBondContact CB-O 3.36Å; Y256-I427 HydrophobicContact CD1-CD1 3.46Å; Y256-I427 VanDerWaalsContact CD1-CD1 3.46Å; Y256-I427 HydrophobicContact CE1-CD1 3.48Å; Y256-I427 VanDerWaalsContact CE1-CD1 3.48Å; Y256-I427 HydrophobicContact CG-CD1 4.19Å; Y256-N447 VanDerWaalsContact CE2-O 3.24Å; Y256-N447 WeakPolarHBondContact CE2-O 3.47Å; Y256-N447 PolarHBondContact OH-O 3.19Å; Y256-E451 HydrophobicContact CD2-CG 4.19Å
257	E	98.4	Very high	98.6	Very high	2 Å²	2	9.7 Å²	9.7	1%	0.009	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	2.9	178.1	-54.1	-166.8	100.4	0	0	114.1	H203 N204 L255 H450	H203-E257 IonicContact CD2-OE1 3.49Å; H203-E257 PolarHBondContact CD2-OE1 3.45Å; H203-E257 IonicContact NE2-OE1 2.71Å; N204-E257 WeakPolarHBondContact CB-OE2 3.43Å; N204-E257 PolarHBondContact N-OE2 3.39Å; N204-E257 PolarHBondContact OD1-OE1 3.04Å; L255-E257 PolarHBondContact O-N 3.15Å; E257-H450 IonicContact OE1-CD2 2.78Å; E257-H450 PolarHBondContact OE1-CD2 3.49Å
258	G	98.5	Very high	98.6	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	83.2	-179.5	179.7	0	0	0	0	0	114	L255 Y256 G262	L255-G258 PolarHBondContact O-N 3.12Å; L255-G258 VanDerWaalsContact O-N 3.14Å; Y256-G258 PolarHBondContact O-N 3.41Å; Y256-G258 VanDerWaalsContact O-N 3.11Å; G258-G262 VanDerWaalsContact O-CA 3.31Å; G258-G262 WeakPolarHBondContact O-CA 3.39Å; G258-G262 PolarHBondContact O-N 3.15Å
259	V	98.8	Very high	98.7	Very high	0 Å²	0	7.5 Å²	7.5	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-71.5	-39.5	-167	-177.6	0	0	0	0	112	G262 S263 F296 M297 T300 T308 V309 W397	V259-G262 PolarHBondContact O-N 3.11Å; V259-S263 PolarHBondContact O-N 2.97Å; V259-F296 HydrophobicContact CB-CE1 4.47Å; V259-F296 HydrophobicContact CB-CZ 4.4Å; V259-F296 HydrophobicContact CG2-CE1 4.26Å; V259-F296 HydrophobicContact CG2-CE2 4.19Å; V259-F296 HydrophobicContact CG2-CZ 3.87Å; V259-M297 HydrophobicContact CG1-SD 4.44Å; V259-T300 HydrophobicContact CG2-CG2 3.85Å; V259-T300 WeakPolarHBondContact CG2-OG1 3.36Å; V259-T308 HydrophobicContact CB-CG2 4.47Å; V259-T308 HydrophobicContact CG1-CG2 3.74Å; V259-V309 HydrophobicContact CG2-CG1 4.12Å; V259-W397 HydrophobicContact CG2-CH2 4.16Å
260	A	98.6	Very high	98.7	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65.9	-55.5	-179.8	0	0	0	0	0	111.7	G262 S263 Y264 S314 F319	A260-G262 VanDerWaalsContact C-N 3.31Å; A260-G262 PolarHBondContact O-N 3.34Å; A260-S263 WeakPolarHBondContact O-CB 3.37Å; A260-S263 PolarHBondContact O-N 3.3Å; A260-S263 PolarHBondContact O-OG 2.82Å; A260-Y264 PolarHBondContact O-N 3.1Å; A260-S314 VanDerWaalsContact CB-OG 3.3Å; A260-S314 WeakPolarHBondContact CB-OG 3.36Å; A260-F319 HydrophobicContact CB-CD2 3.68Å; A260-F319 HydrophobicContact CB-CE2 3.63Å; A260-F319 HydrophobicContact CB-CG 4.16Å; A260-F319 HydrophobicContact CB-CZ 4.1Å; A260-F319 WeakPolarHBondContact O-CD2 3.43Å
261	Y	98.7	Very high	98.7	Very high	22 Å²	22	7.1 Å²	7.1	9%	0.086	4%	0.036	C	C	.	.	H	α-helix	trans	-68	-30.1	174.5	-87.8	-69	0	0	0	112.9	N204 S263 Y264 T265 D313 F319 H450 Y473	N204-Y261 HydrophobicContact CB-CD1 4.01Å; N204-Y261 VanDerWaalsContact CG-CD1 3.5Å; N204-Y261 WeakPolarHBondContact ND2-CD1 3.44Å; N204-Y261 VanDerWaalsContact ND2-CE1 3.3Å; N204-Y261 WeakPolarHBondContact ND2-CE1 3.24Å; Y261-S263 VanDerWaalsContact C-N 3.28Å; Y261-S263 PolarHBondContact O-N 2.92Å; Y261-Y264 HydrophobicContact CD1-CD1 4.08Å; Y261-Y264 HydrophobicContact CD1-CG 4.47Å; Y261-Y264 HydrophobicContact CE1-CD1 4.09Å; Y261-Y264 CarbonylContact O-C 3.57Å; Y261-Y264 WeakPolarHBondContact O-CA 3.48Å; Y261-Y264 WeakPolarHBondContact O-CB 3.4Å; Y261-Y264 PolarHBondContact O-N 3.35Å; Y261-T265 PolarHBondContact O-N 2.74Å; Y261-T265 PolarHBondContact O-OG1 2.55Å; Y261-D313 HydrophobicContact CD2-CB 4.21Å; Y261-D313 WeakPolarHBondContact CD2-O 3.45Å; Y261-D313 HydrophobicContact CE2-CB 3.81Å; Y261-F319 HydrophobicContact CD1-CD2 4.24Å; Y261-F319 HydrophobicContact CD1-CE2 4.12Å; Y261-F319 HydrophobicContact CD2-CD2 4.44Å; Y261-F319 AromaticContact CD2-CE2 3.64Å; Y261-F319 HydrophobicContact CD2-CE2 3.64Å; Y261-F319 HydrophobicContact CE1-CD2 4.45Å; Y261-F319 HydrophobicContact CE1-CE2 4.12Å; Y261-F319 AromaticContact CE2-CE2 3.61Å; Y261-F319 HydrophobicContact CE2-CE2 3.61Å; Y261-F319 HydrophobicContact CE2-CZ 4.23Å; Y261-F319 HydrophobicContact CG-CD2 4.24Å; Y261-F319 AromaticContact CG-CE2 3.89Å; Y261-F319 HydrophobicContact CG-CE2 3.89Å; Y261-F319 AromaticContact CZ-CE2 3.88Å; Y261-H450 HydrophobicContact CD2-CB 4.32Å; Y261-H450 AromaticContact CD2-CD2 3.94Å; Y261-H450 AromaticContact CD2-CG 3.94Å; Y261-H450 AromaticContact CE1-CD2 3.98Å; Y261-H450 AromaticContact CE1-NE2 3.69Å; Y261-H450 HydrophobicContact CE2-CB 4.46Å; Y261-H450 AromaticContact CE2-CD2 3.68Å; Y261-H450 AromaticContact CE2-CE1 3.63Å; Y261-H450 AromaticContact CE2-CG 3.69Å; Y261-H450 AromaticContact CE2-ND1 3.63Å; Y261-H450 AromaticContact CE2-NE2 3.65Å; Y261-H450 AromaticContact CZ-CD2 3.68Å; Y261-H450 AromaticContact CZ-CE1 3.48Å; Y261-H450 VanDerWaalsContact CZ-CE1 3.48Å; Y261-H450 AromaticContact CZ-ND1 3.98Å; Y261-H450 AromaticContact CZ-NE2 3.25Å; Y261-H450 PolarHBondContact OH-CE1 2.87Å; Y261-H450 PolarHBondContact OH-NE2 3.34Å; Y261-Y473 HydrophobicContact CE2-CD2 4.48Å; Y261-Y473 HydrophobicContact CE2-CE2 4.02Å; Y261-Y473 WeakPolarHBondContact OH-CE2 3.26Å
262	G	98.7	Very high	98.8	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-58.3	-38.9	170	0	0	0	0	0	112.8	G258 V259 A260 Y264 T265 T266	G258-G262 VanDerWaalsContact O-CA 3.31Å; G258-G262 WeakPolarHBondContact O-CA 3.39Å; G258-G262 PolarHBondContact O-N 3.15Å; V259-G262 PolarHBondContact O-N 3.11Å; A260-G262 VanDerWaalsContact C-N 3.31Å; A260-G262 PolarHBondContact O-N 3.34Å; G262-Y264 VanDerWaalsContact C-N 3.3Å; G262-Y264 PolarHBondContact O-N 3.06Å; G262-T265 PolarHBondContact O-N 2.98Å; G262-T266 WeakPolarHBondContact O-CB 3.41Å; G262-T266 WeakPolarHBondContact O-CG2 3.39Å; G262-T266 PolarHBondContact O-N 2.97Å; G262-T266 PolarHBondContact O-OG1 3.24Å
263	S	98.9	Very high	98.8	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-65.8	-32.2	172.6	80.4	0	0	0	0	112.9	V259 A260 Y261 T266 R267 F319 Y320 Q325	V259-S263 PolarHBondContact O-N 2.97Å; A260-S263 WeakPolarHBondContact O-CB 3.37Å; A260-S263 PolarHBondContact O-N 3.3Å; A260-S263 PolarHBondContact O-OG 2.82Å; Y261-S263 VanDerWaalsContact C-N 3.28Å; Y261-S263 PolarHBondContact O-N 2.92Å; S263-T266 WeakPolarHBondContact CA-OG1 3.43Å; S263-T266 PolarHBondContact O-OG1 2.88Å; S263-R267 WeakPolarHBondContact O-CB 3.34Å; S263-R267 PolarHBondContact O-N 3.3Å; S263-F319 PolarHBondContact OG-N 3.05Å; S263-Y320 WeakPolarHBondContact CB-O 3.21Å; S263-Y320 PolarHBondContact OG-N 3.25Å; S263-Y320 VanDerWaalsContact OG-N 3.11Å; S263-Q325 PolarHBondContact O-NE2 3.38Å
264	Y	98.7	Very high	98.8	Very high	12 Å²	12	5.3 Å²	5.3	5%	0.047	2%	0.024	C	C	.	.	H	α-helix	trans	-65.9	-53	173.5	-155.5	139.6	0	0	0	110.5	V149 H153 T208 A260 Y261 G262 T266 R267 F319 Y320	V149-Y264 WeakPolarHBondContact CG1-OH 3.43Å; H153-Y264 AromaticContact NE2-CE2 3.82Å; H153-Y264 AromaticContact NE2-CZ 3.64Å; H153-Y264 PolarHBondContact NE2-OH 3.09Å; T208-Y264 HydrophobicContact CG2-CE2 3.85Å; T208-Y264 VanDerWaalsContact OG1-CE2 3.27Å; T208-Y264 WeakPolarHBondContact OG1-CE2 3.44Å; A260-Y264 PolarHBondContact O-N 3.1Å; Y261-Y264 HydrophobicContact CD1-CD1 4.08Å; Y261-Y264 HydrophobicContact CD1-CG 4.47Å; Y261-Y264 HydrophobicContact CE1-CD1 4.09Å; Y261-Y264 CarbonylContact O-C 3.57Å; Y261-Y264 WeakPolarHBondContact O-CA 3.48Å; Y261-Y264 WeakPolarHBondContact O-CB 3.4Å; Y261-Y264 PolarHBondContact O-N 3.35Å; G262-Y264 VanDerWaalsContact C-N 3.3Å; G262-Y264 PolarHBondContact O-N 3.06Å; Y264-T266 PolarHBondContact O-N 3.28Å; Y264-R267 WeakPolarHBondContact O-CB 3.49Å; Y264-R267 PolarHBondContact O-N 3.5Å; Y264-F319 HydrophobicContact CD1-CB 4.49Å; Y264-F319 HydrophobicContact CD1-CD2 4.35Å; Y264-Y320 AromaticContact CD1-CD2 3.88Å; Y264-Y320 HydrophobicContact CD1-CD2 3.88Å; Y264-Y320 AromaticContact CD1-CE2 3.39Å; Y264-Y320 HydrophobicContact CD1-CE2 3.39Å; Y264-Y320 HydrophobicContact CD2-CD2 4.2Å; Y264-Y320 AromaticContact CD2-CE2 4Å; Y264-Y320 HydrophobicContact CD2-CE2 4Å; Y264-Y320 HydrophobicContact CE1-CD2 4.36Å; Y264-Y320 AromaticContact CE1-CE2 3.43Å; Y264-Y320 HydrophobicContact CE1-CE2 3.43Å; Y264-Y320 VanDerWaalsContact CE1-CE2 3.43Å; Y264-Y320 HydrophobicContact CE2-CE2 4.02Å; Y264-Y320 AromaticContact CG-CD2 3.76Å; Y264-Y320 HydrophobicContact CG-CD2 3.76Å; Y264-Y320 AromaticContact CG-CE2 3.66Å; Y264-Y320 HydrophobicContact CG-CE2 3.66Å; Y264-Y320 AromaticContact CZ-CE2 3.74Å
265	T	98.9	Very high	98.8	Very high	6 Å²	6	5.2 Å²	5.2	4%	0.037	2%	0.023	C	C	.	.	H	α-helix	trans	-56	-48.6	177.2	-67.7	0	0	0	0	111.3	N204 P207 L255 Y261 G262 S268 L269	N204-T265 VanDerWaalsContact CA-OG1 3.24Å; N204-T265 WeakPolarHBondContact CA-OG1 3.49Å; N204-T265 VanDerWaalsContact CB-OG1 3.28Å; N204-T265 WeakPolarHBondContact CB-OG1 3.28Å; P207-T265 HydrophobicContact CG-CG2 4.11Å; L255-T265 HydrophobicContact CD1-CG2 3.73Å; L255-T265 HydrophobicContact CD2-CG2 4.46Å; Y261-T265 PolarHBondContact O-N 2.74Å; Y261-T265 PolarHBondContact O-OG1 2.55Å; G262-T265 PolarHBondContact O-N 2.98Å; T265-S268 PolarHBondContact O-N 3.48Å; T265-L269 WeakPolarHBondContact O-CB 3.23Å; T265-L269 PolarHBondContact O-N 3.03Å
266	T	98.9	Very high	98.8	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-73.2	-27.4	-175.7	52.4	0	0	0	0	114.6	L255 G262 S263 Y264 S268 L269 F270 W289 H293	L255-T266 HydrophobicContact CD1-CG2 3.96Å; G262-T266 WeakPolarHBondContact O-CB 3.41Å; G262-T266 WeakPolarHBondContact O-CG2 3.39Å; G262-T266 PolarHBondContact O-N 2.97Å; G262-T266 PolarHBondContact O-OG1 3.24Å; S263-T266 WeakPolarHBondContact CA-OG1 3.43Å; S263-T266 PolarHBondContact O-OG1 2.88Å; Y264-T266 PolarHBondContact O-N 3.28Å; T266-S268 PolarHBondContact O-N 3.14Å; T266-L269 PolarHBondContact O-N 2.96Å; T266-F270 HydrophobicContact CG2-CE1 4.2Å; T266-F270 HydrophobicContact CG2-CZ 4.24Å; T266-F270 VanDerWaalsContact O-CB 3.29Å; T266-F270 WeakPolarHBondContact O-CB 3.28Å; T266-F270 VanDerWaalsContact O-CG 3.28Å; T266-F270 WeakPolarHBondContact O-CG 3.37Å; T266-F270 PolarHBondContact O-N 2.87Å; T266-W289 HydrophobicContact CG2-CH2 3.71Å; T266-W289 HydrophobicContact CG2-CZ2 4.22Å; T266-H293 WeakPolarHBondContact CG2-NE2 3.49Å
267	R	98.8	Very high	98.7	Very high	13 Å²	13	4.8 Å²	4.8	5%	0.049	2%	0.022	C	C	.	.	H	α-helix	trans	-51.7	-46.4	168.4	164.2	-176.7	164.6	-122.1	6.1	110.9	H153 S263 Y264 Q271 C365 T366	H153-R267 PolarHBondContact CE1-NH1 2.97Å; H153-R267 PolarHBondContact CE1-NH2 3.32Å; H153-R267 PolarHBondContact NE2-NH1 3.37Å; S263-R267 WeakPolarHBondContact O-CB 3.34Å; S263-R267 PolarHBondContact O-N 3.3Å; Y264-R267 WeakPolarHBondContact O-CB 3.49Å; Y264-R267 PolarHBondContact O-N 3.5Å; R267-Q271 WeakPolarHBondContact O-CG 3.43Å; R267-Q271 PolarHBondContact O-NE2 2.91Å; R267-C365 PolarHBondContact NE-SG 2.71Å; R267-C365 PolarHBondContact NH2-SG 3.04Å; R267-C365 VanDerWaalsContact NH2-SG 3.36Å; R267-T366 HydrophobicContact CG-CG2 4.01Å
268	S	98.9	Very high	98.6	Very high	4 Å²	4	5.5 Å²	5.5	3%	0.028	2%	0.024	C	C	.	.	H	α-helix	trans	-84.2	-43.7	-177.3	-60	0	0	0	0	111.2	P207 T208 V211 T265 T266 F270 Q271 Y272	P207-S268 VanDerWaalsContact C-CB 3.5Å; P207-S268 WeakPolarHBondContact O-CB 3.47Å; T208-S268 WeakPolarHBondContact CA-OG 3.48Å; T208-S268 PolarHBondContact OG1-OG 2.87Å; V211-S268 VanDerWaalsContact CG2-O 3.25Å; V211-S268 WeakPolarHBondContact CG2-O 3.39Å; T265-S268 PolarHBondContact O-N 3.48Å; T266-S268 PolarHBondContact O-N 3.14Å; S268-F270 VanDerWaalsContact C-N 3.27Å; S268-F270 PolarHBondContact O-N 3.42Å; S268-Q271 WeakPolarHBondContact O-CB 3.49Å; S268-Q271 PolarHBondContact O-N 3.43Å; S268-Q271 VanDerWaalsContact O-N 3.14Å; S268-Y272 PolarHBondContact O-N 3.47Å
269	L	98.9	Very high	98.6	Very high	10 Å²	10	5.9 Å²	5.9	5%	0.052	3%	0.026	C	C	.	.	H	α-helix	trans	-58.1	-38.4	179	-174.7	62.2	0	0	0	112.5	M240 I244 L247 T265 T266 Y272 M273 W289	M240-L269 HydrophobicContact CE-CD1 3.69Å; I244-L269 HydrophobicContact CD1-CD1 4.42Å; I244-L269 HydrophobicContact CG1-CD1 4.21Å; L247-L269 HydrophobicContact CD2-CD2 3.86Å; T265-L269 WeakPolarHBondContact O-CB 3.23Å; T265-L269 PolarHBondContact O-N 3.03Å; T266-L269 PolarHBondContact O-N 2.96Å; L269-Y272 WeakPolarHBondContact O-CB 3.28Å; L269-Y272 PolarHBondContact O-N 2.97Å; L269-M273 HydrophobicContact CD1-CE 4.12Å; L269-M273 HydrophobicContact CD2-CE 4.17Å; L269-M273 HydrophobicContact CG-CE 3.95Å; L269-M273 WeakPolarHBondContact O-CG 3.24Å; L269-M273 PolarHBondContact O-N 3.16Å; L269-W289 HydrophobicContact CD2-CH2 3.87Å; L269-W289 HydrophobicContact CD2-CZ3 3.78Å
270	F	98.9	Very high	98.6	Very high	0 Å²	0	6 Å²	6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-74.2	-35.1	178.7	-67.9	0.3	0	0	0	112.4	T266 S268 Y272 M273 F274 W289 L290 H293 Q325 F328 L329 W373	T266-F270 HydrophobicContact CG2-CE1 4.2Å; T266-F270 HydrophobicContact CG2-CZ 4.24Å; T266-F270 VanDerWaalsContact O-CB 3.29Å; T266-F270 WeakPolarHBondContact O-CB 3.28Å; T266-F270 VanDerWaalsContact O-CG 3.28Å; T266-F270 WeakPolarHBondContact O-CG 3.37Å; T266-F270 PolarHBondContact O-N 2.87Å; S268-F270 VanDerWaalsContact C-N 3.27Å; S268-F270 PolarHBondContact O-N 3.42Å; F270-Y272 VanDerWaalsContact C-N 3.32Å; F270-M273 HydrophobicContact CD1-SD 4.36Å; F270-M273 PolarHBondContact O-N 3.36Å; F270-F274 WeakPolarHBondContact O-CB 3.29Å; F270-F274 PolarHBondContact O-N 3.13Å; F270-W289 HydrophobicContact CE1-CH2 4.19Å; F270-W289 HydrophobicContact CE1-CZ3 4.09Å; F270-L290 HydrophobicContact CD1-CD1 4.29Å; F270-L290 HydrophobicContact CE1-CD1 3.43Å; F270-L290 VanDerWaalsContact CE1-CD1 3.43Å; F270-L290 HydrophobicContact CZ-CD1 3.73Å; F270-H293 AromaticContact CZ-CD2 3.73Å; F270-Q325 HydrophobicContact CD2-CB 3.96Å; F270-Q325 HydrophobicContact CD2-CG 3.97Å; F270-Q325 HydrophobicContact CE2-CB 3.7Å; F270-Q325 HydrophobicContact CE2-CG 4.07Å; F270-F328 HydrophobicContact CB-CD1 4.05Å; F270-F328 HydrophobicContact CB-CD2 4.03Å; F270-F328 HydrophobicContact CB-CE1 3.9Å; F270-F328 HydrophobicContact CB-CE2 3.88Å; F270-F328 HydrophobicContact CB-CG 4.11Å; F270-F328 HydrophobicContact CB-CZ 3.79Å; F270-F328 HydrophobicContact CD1-CD1 4.23Å; F270-F328 AromaticContact CD1-CE1 3.84Å; F270-F328 HydrophobicContact CD1-CE1 3.84Å; F270-F328 HydrophobicContact CD1-CZ 4.36Å; F270-F328 HydrophobicContact CD2-CB 4.04Å; F270-F328 AromaticContact CD2-CD1 3.29Å; F270-F328 HydrophobicContact CD2-CD1 3.29Å; F270-F328 HydrophobicContact CD2-CD2 4.43Å; F270-F328 AromaticContact CD2-CE1 3.77Å; F270-F328 HydrophobicContact CD2-CE1 3.77Å; F270-F328 AromaticContact CD2-CG 3.68Å; F270-F328 HydrophobicContact CD2-CG 3.68Å; F270-F328 HydrophobicContact CD2-CZ 4.49Å; F270-F328 HydrophobicContact CE1-CE1 4.3Å; F270-F328 AromaticContact CE2-CD1 3.66Å; F270-F328 HydrophobicContact CE2-CD1 3.66Å; F270-F328 HydrophobicContact CE2-CE1 4.21Å; F270-F328 HydrophobicContact CE2-CG 4.35Å; F270-F328 AromaticContact CG-CD1 3.61Å; F270-F328 HydrophobicContact CG-CD1 3.61Å; F270-F328 HydrophobicContact CG-CD2 4.48Å; F270-F328 AromaticContact CG-CE1 3.57Å; F270-F328 HydrophobicContact CG-CE1 3.57Å; F270-F328 HydrophobicContact CG-CE2 4.44Å; F270-F328 HydrophobicContact CG-CG 4.09Å; F270-F328 AromaticContact CG-CZ 3.99Å; F270-F328 HydrophobicContact CG-CZ 3.99Å; F270-F328 HydrophobicContact CZ-CD1 4.28Å; F270-F328 HydrophobicContact CZ-CE1 4.46Å; F270-L329 HydrophobicContact CE2-CD2 4.22Å; F270-L329 HydrophobicContact CE2-CG 4.09Å; F270-L329 HydrophobicContact CZ-CD2 3.91Å; F270-L329 HydrophobicContact CZ-CG 4.23Å; F270-W373 HydrophobicContact CB-CH2 4.13Å; F270-W373 HydrophobicContact CB-CZ3 4.22Å
271	Q	98.9	Very high	98.4	Very high	4 Å²	4	9.4 Å²	9.4	2%	0.019	5%	0.045	C	C	.	.	H	α-helix	trans	-60.5	-44.7	168.7	-76	174.3	74.3	0	0	110.8	Y47 V211 R267 S268 F274 L275 T369 W373	Y47-Q271 WeakPolarHBondContact OH-CG 3.46Å; Y47-Q271 PolarHBondContact OH-OE1 2.78Å; V211-Q271 HydrophobicContact CG1-CB 3.9Å; R267-Q271 WeakPolarHBondContact O-CG 3.43Å; R267-Q271 PolarHBondContact O-NE2 2.91Å; S268-Q271 WeakPolarHBondContact O-CB 3.49Å; S268-Q271 PolarHBondContact O-N 3.43Å; S268-Q271 VanDerWaalsContact O-N 3.14Å; Q271-F274 PolarHBondContact O-N 3.21Å; Q271-L275 VanDerWaalsContact O-CB 3.29Å; Q271-L275 WeakPolarHBondContact O-CB 2.99Å; Q271-L275 WeakPolarHBondContact O-CG 3.4Å; Q271-L275 PolarHBondContact O-N 2.88Å; Q271-T369 HydrophobicContact CG-CG2 4.37Å; Q271-W373 HydrophobicContact CB-CH2 4.47Å; Q271-W373 HydrophobicContact CG-CH2 3.74Å; Q271-W373 HydrophobicContact CG-CZ2 4.2Å
272	Y	98.9	Very high	98.4	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-56.3	-57.3	175.8	176	-95	0	0	0	111.1	L214 V236 L237 M240 E241 I244 S268 L269 F270 F274 L275 V276	L214-Y272 HydrophobicContact CD2-CD2 3.94Å; L214-Y272 HydrophobicContact CD2-CE2 4.4Å; V236-Y272 HydrophobicContact CG1-CD2 4.39Å; V236-Y272 HydrophobicContact CG1-CE2 4.04Å; L237-Y272 HydrophobicContact CD2-CE2 4.03Å; L237-Y272 VanDerWaalsContact CD2-OH 3.29Å; L237-Y272 WeakPolarHBondContact CD2-OH 3.23Å; M240-Y272 HydrophobicContact CB-CD1 4.41Å; M240-Y272 HydrophobicContact CB-CD2 4.07Å; M240-Y272 HydrophobicContact CB-CE1 3.89Å; M240-Y272 HydrophobicContact CB-CE2 3.48Å; M240-Y272 VanDerWaalsContact CB-CE2 3.48Å; M240-Y272 HydrophobicContact CB-CG 4.48Å; M240-Y272 HydrophobicContact CE-CD1 4.12Å; M240-Y272 HydrophobicContact CE-CD2 4.31Å; M240-Y272 HydrophobicContact CE-CG 3.94Å; M240-Y272 HydrophobicContact CG-CD2 3.91Å; M240-Y272 HydrophobicContact CG-CE2 3.73Å; M240-Y272 HydrophobicContact CG-CG 4.45Å; E241-Y272 PolarHBondContact OE1-OH 3.41Å; I244-Y272 HydrophobicContact CD1-CD1 3.87Å; I244-Y272 HydrophobicContact CD1-CE1 3.46Å; I244-Y272 VanDerWaalsContact CD1-CE1 3.46Å; S268-Y272 PolarHBondContact O-N 3.47Å; L269-Y272 WeakPolarHBondContact O-CB 3.28Å; L269-Y272 PolarHBondContact O-N 2.97Å; F270-Y272 VanDerWaalsContact C-N 3.32Å; Y272-F274 VanDerWaalsContact C-N 3.28Å; Y272-F274 PolarHBondContact O-N 2.85Å; Y272-L275 PolarHBondContact O-N 3.04Å; Y272-L275 VanDerWaalsContact O-N 3.17Å; Y272-V276 HydrophobicContact CD1-CG2 4.29Å; Y272-V276 HydrophobicContact CD2-CG1 3.85Å; Y272-V276 HydrophobicContact CE1-CG1 4.24Å; Y272-V276 HydrophobicContact CE1-CG2 3.97Å; Y272-V276 HydrophobicContact CE2-CG1 3.52Å; Y272-V276 HydrophobicContact CG-CG1 4.35Å; Y272-V276 WeakPolarHBondContact O-CG1 3.26Å; Y272-V276 VanDerWaalsContact O-CG2 3.28Å; Y272-V276 WeakPolarHBondContact O-CG2 3.42Å; Y272-V276 PolarHBondContact O-N 2.87Å
273	M	98.8	Very high	98.2	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-55.7	-41.7	-179.6	-69.5	177.3	172.9	0	0	112.3	I244 L269 F270 Q277 H284 F285 L290 F328	I244-M273 HydrophobicContact CD1-CE 4.48Å; L269-M273 HydrophobicContact CD1-CE 4.12Å; L269-M273 HydrophobicContact CD2-CE 4.17Å; L269-M273 HydrophobicContact CG-CE 3.95Å; L269-M273 WeakPolarHBondContact O-CG 3.24Å; L269-M273 PolarHBondContact O-N 3.16Å; F270-M273 HydrophobicContact CD1-SD 4.36Å; F270-M273 PolarHBondContact O-N 3.36Å; M273-Q277 WeakPolarHBondContact O-CB 3.43Å; M273-Q277 PolarHBondContact O-N 3.19Å; M273-H284 HydrophobicContact CB-CB 4.46Å; M273-H284 HydrophobicContact CE-CB 4.17Å; M273-H284 HydrophobicContact CG-CB 3.86Å; M273-H284 HydrophobicContact SD-CB 4.23Å; M273-F285 HydrophobicContact CB-CZ 4.16Å; M273-L290 HydrophobicContact SD-CD1 4.4Å; M273-L290 HydrophobicContact SD-CD2 4.09Å; M273-F328 HydrophobicContact CB-CZ 4.38Å
274	F	98.8	Very high	98.2	Very high	18 Å²	18	10.1 Å²	10.1	8%	0.079	5%	0.049	C	C	.	.	H	α-helix	trans	-64.6	-51.2	176.2	-177	-85.3	0	0	0	112.4	I33 Y47 F270 Q271 Y272 R278 F328 F332 W373	I33-F274 HydrophobicContact CD1-CD2 3.44Å; I33-F274 VanDerWaalsContact CD1-CD2 3.44Å; I33-F274 HydrophobicContact CD1-CE2 3.89Å; I33-F274 HydrophobicContact CD1-CG 4.24Å; I33-F274 HydrophobicContact CG1-CD2 4.1Å; I33-F274 HydrophobicContact CG1-CE2 4.03Å; I33-F274 HydrophobicContact CG2-CE2 4.26Å; Y47-F274 AromaticContact CD1-CD1 3.76Å; Y47-F274 HydrophobicContact CD1-CD1 3.76Å; Y47-F274 AromaticContact CD1-CE1 3.71Å; Y47-F274 HydrophobicContact CD1-CE1 3.71Å; Y47-F274 HydrophobicContact CE1-CD1 4.15Å; Y47-F274 HydrophobicContact CG-CE1 4.48Å; F270-F274 WeakPolarHBondContact O-CB 3.29Å; F270-F274 PolarHBondContact O-N 3.13Å; Q271-F274 PolarHBondContact O-N 3.21Å; Y272-F274 VanDerWaalsContact C-N 3.28Å; Y272-F274 PolarHBondContact O-N 2.85Å; F274-R278 HydrophobicContact CE1-CB 4.45Å; F274-R278 WeakPolarHBondContact O-CB 3.22Å; F274-R278 PolarHBondContact O-N 3.16Å; F274-F328 HydrophobicContact CB-CE2 4.23Å; F274-F332 HydrophobicContact CD2-CE2 4.18Å; F274-F332 HydrophobicContact CD2-CZ 4Å; F274-F332 AromaticContact CE2-CZ 3.93Å; F274-F332 HydrophobicContact CE2-CZ 3.93Å; F274-W373 HydrophobicContact CB-CZ2 4.09Å; F274-W373 AromaticContact CD2-NE1 3.35Å; F274-W373 AromaticContact CE2-NE1 3.62Å; F274-W373 HydrophobicContact CG-CZ2 4.27Å; F274-W373 AromaticContact CG-NE1 3.72Å
275	L	98.8	Very high	98.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-68.8	-42.4	-173.1	-70.6	170.9	0	0	0	111.5	L46 Y47 L214 L218 Q271 Y272 R278 H279	L46-L275 HydrophobicContact CB-CD2 4.48Å; L46-L275 WeakPolarHBondContact O-CD2 3.47Å; Y47-L275 HydrophobicContact CD1-CD2 4.22Å; Y47-L275 HydrophobicContact CE1-CD2 3.96Å; Y47-L275 HydrophobicContact CE1-CG 4.2Å; L214-L275 HydrophobicContact CD2-CB 4.25Å; L214-L275 HydrophobicContact CD2-CD1 4.48Å; L218-L275 HydrophobicContact CD1-CB 4.32Å; L218-L275 HydrophobicContact CD1-CD1 4.48Å; L218-L275 HydrophobicContact CD1-CD2 4.31Å; Q271-L275 VanDerWaalsContact O-CB 3.29Å; Q271-L275 WeakPolarHBondContact O-CB 2.99Å; Q271-L275 WeakPolarHBondContact O-CG 3.4Å; Q271-L275 PolarHBondContact O-N 2.88Å; Y272-L275 PolarHBondContact O-N 3.04Å; Y272-L275 VanDerWaalsContact O-N 3.17Å; L275-R278 PolarHBondContact O-N 3.1Å; L275-H279 WeakPolarHBondContact O-CB 3.41Å; L275-H279 PolarHBondContact O-CD2 2.84Å; L275-H279 VanDerWaalsContact O-CD2 3.24Å; L275-H279 PolarHBondContact O-N 2.89Å
276	V	98.5	Very high	97.9	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-71.3	-32.7	-179.8	-57.1	0	0	0	0	112.4	L214 L237 Y272 F280 D281 I282	L214-V276 HydrophobicContact CD2-CG1 3.94Å; L237-V276 HydrophobicContact CD2-CB 4.49Å; L237-V276 HydrophobicContact CD2-CG1 3.76Å; Y272-V276 HydrophobicContact CD1-CG2 4.29Å; Y272-V276 HydrophobicContact CD2-CG1 3.85Å; Y272-V276 HydrophobicContact CE1-CG1 4.24Å; Y272-V276 HydrophobicContact CE1-CG2 3.97Å; Y272-V276 HydrophobicContact CE2-CG1 3.52Å; Y272-V276 HydrophobicContact CG-CG1 4.35Å; Y272-V276 WeakPolarHBondContact O-CG1 3.26Å; Y272-V276 VanDerWaalsContact O-CG2 3.28Å; Y272-V276 WeakPolarHBondContact O-CG2 3.42Å; Y272-V276 PolarHBondContact O-N 2.87Å; V276-F280 HydrophobicContact CB-CD2 4.31Å; V276-F280 HydrophobicContact CG1-CD2 4.35Å; V276-F280 CarbonylContact O-C 3.55Å; V276-F280 WeakPolarHBondContact O-CA 3.31Å; V276-F280 WeakPolarHBondContact O-CB 3.25Å; V276-F280 PolarHBondContact O-N 2.96Å; V276-D281 PolarHBondContact O-N 3.45Å; V276-D281 VanDerWaalsContact O-N 3.15Å; V276-I282 HydrophobicContact CB-CB 4.21Å; V276-I282 HydrophobicContact CG2-CB 4.03Å; V276-I282 HydrophobicContact CG2-CG2 4.26Å; V276-I282 PolarHBondContact O-N 3Å
277	Q	97.8	Very high	97.8	Very high	10 Å²	10	10.2 Å²	10.2	5%	0.047	5%	0.052	C	C	.	.	H	α-helix	trans	-64.7	-51	169.8	175.4	54.2	35.4	0	0	110.8	I33 M273 H279 D281 I282 F285	I33-Q277 HydrophobicContact CB-CG 3.9Å; I33-Q277 HydrophobicContact CG2-CB 4.37Å; I33-Q277 HydrophobicContact CG2-CG 3.88Å; M273-Q277 WeakPolarHBondContact O-CB 3.43Å; M273-Q277 PolarHBondContact O-N 3.19Å; Q277-H279 PolarHBondContact O-N 2.88Å; Q277-D281 PolarHBondContact NE2-OD1 3.49Å; Q277-D281 VanDerWaalsContact O-CA 3.31Å; Q277-D281 WeakPolarHBondContact O-CA 3.23Å; Q277-D281 PolarHBondContact O-N 3.27Å; Q277-I282 WeakPolarHBondContact CA-O 3.46Å; Q277-I282 PolarHBondContact N-O 3.49Å; Q277-I282 PolarHBondContact OE1-O 3.39Å; Q277-F285 HydrophobicContact CB-CE2 3.83Å; Q277-F285 HydrophobicContact CG-CE2 4.03Å
278	R	97	Very high	97.8	Very high	16 Å²	16	12.7 Å²	12.7	6%	0.06	7%	0.07	C	C	.	.	H	α-helix	trans	-60.7	-43.9	-177.4	178.1	176.9	178.4	76	-0.8	112.9	I33 F35 V36 M45 L46 F274 L275	I33-R278 HydrophobicContact CG2-CB 3.98Å; F35-R278 WeakPolarHBondContact CD2-O 3.39Å; V36-R278 HydrophobicContact CG2-CG 4.39Å; V36-R278 PolarHBondContact N-O 3.31Å; M45-R278 PolarHBondContact O-NE 2.62Å; L46-R278 WeakPolarHBondContact O-CD 3.15Å; F274-R278 HydrophobicContact CE1-CB 4.45Å; F274-R278 WeakPolarHBondContact O-CB 3.22Å; F274-R278 PolarHBondContact O-N 3.16Å; L275-R278 PolarHBondContact O-N 3.1Å
279	H	97.9	Very high	97.8	Very high	9 Å²	9	12.5 Å²	12.5	4%	0.042	7%	0.069	C	C	.	.	H	α-helix	trans	-99.1	-21.9	-169.5	-70.2	-74.6	0	0	0	114.2	F35 M45 L46 L218 L275 Q277	F35-H279 WeakPolarHBondContact CE2-O 3.16Å; M45-H279 PolarHBondContact O-CE1 2.65Å; M45-H279 PolarHBondContact O-NE2 2.97Å; M45-H279 VanDerWaalsContact SD-CE1 3.59Å; L46-H279 PolarHBondContact O-NE2 2.93Å; L218-H279 HydrophobicContact CD2-CB 3.94Å; L275-H279 WeakPolarHBondContact O-CB 3.41Å; L275-H279 PolarHBondContact O-CD2 2.84Å; L275-H279 VanDerWaalsContact O-CD2 3.24Å; L275-H279 PolarHBondContact O-N 2.89Å; Q277-H279 PolarHBondContact O-N 2.88Å
280	F	97.5	Very high	97.8	Very high	3 Å²	3	12 Å²	12	1%	0.013	7%	0.066	C	C	.	.	H	α-helix	trans	-131.2	-1.4	-176.1	-51.7	-51	0	0	0	113.9	L214 L218 M221 T233 V276 I282 H748 F749 V752 F753	L214-F280 HydrophobicContact CD1-CE2 4.22Å; L218-F280 HydrophobicContact CD2-CE1 4.39Å; L218-F280 HydrophobicContact CD2-CE2 4.16Å; L218-F280 HydrophobicContact CD2-CZ 3.64Å; M221-F280 HydrophobicContact CE-CE1 4.37Å; M221-F280 HydrophobicContact SD-CE1 4.04Å; M221-F280 HydrophobicContact SD-CZ 4.38Å; T233-F280 HydrophobicContact CG2-CE1 4.47Å; T233-F280 HydrophobicContact CG2-CE2 3.71Å; T233-F280 HydrophobicContact CG2-CZ 3.65Å; V276-F280 HydrophobicContact CB-CD2 4.31Å; V276-F280 HydrophobicContact CG1-CD2 4.35Å; V276-F280 CarbonylContact O-C 3.55Å; V276-F280 WeakPolarHBondContact O-CA 3.31Å; V276-F280 WeakPolarHBondContact O-CB 3.25Å; V276-F280 PolarHBondContact O-N 2.96Å; F280-I282 VanDerWaalsContact C-N 3.29Å; F280-I282 HydrophobicContact CB-CD1 3.95Å; F280-I282 HydrophobicContact CB-CG1 4.01Å; F280-I282 PolarHBondContact O-N 3.1Å; F280-H748 WeakPolarHBondContact O-CB 3.37Å; F280-F749 HydrophobicContact CB-CB 4.26Å; F280-F749 HydrophobicContact CD1-CB 3.54Å; F280-F749 HydrophobicContact CD2-CB 4.25Å; F280-F749 HydrophobicContact CE1-CB 3.88Å; F280-F749 HydrophobicContact CG-CB 3.76Å; F280-F749 HydrophobicContact CZ-CB 4.37Å; F280-V752 HydrophobicContact CD1-CB 4.3Å; F280-V752 HydrophobicContact CD1-CG1 4.47Å; F280-V752 HydrophobicContact CD1-CG2 4.19Å; F280-V752 HydrophobicContact CE1-CG1 4.49Å; F280-F753 HydrophobicContact CE1-CE2 4.04Å; F280-F753 HydrophobicContact CZ-CE2 4.34Å
281	D	96.3	Very high	97.7	Very high	71 Å²	71	17 Å²	17	38%	0.38	9%	0.088	S	C	.	.			trans	57.2	41.7	-176.2	-157.2	33.6	0	0	0	112.7	F35 V276 Q277 H748	F35-D281 HydrophobicContact CB-CB 3.98Å; F35-D281 HydrophobicContact CD1-CB 4.33Å; F35-D281 HydrophobicContact CD2-CB 3.8Å; F35-D281 HydrophobicContact CE2-CB 4.39Å; F35-D281 HydrophobicContact CG-CB 3.77Å; V276-D281 PolarHBondContact O-N 3.45Å; V276-D281 VanDerWaalsContact O-N 3.15Å; Q277-D281 PolarHBondContact NE2-OD1 3.49Å; Q277-D281 VanDerWaalsContact O-CA 3.31Å; Q277-D281 WeakPolarHBondContact O-CA 3.23Å; Q277-D281 PolarHBondContact O-N 3.27Å; D281-H748 PolarHBondContact O-CE1 3.4Å; D281-H748 PolarHBondContact O-ND1 2.86Å
282	I	96.9	Very high	97.7	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.108	C	C	.	.			trans	-102.1	108.5	172.5	-58.9	172.3	0	0	0	108.1	L237 V276 Q277 F280 H284 N745 H748	L237-I282 HydrophobicContact CD1-CD1 4.09Å; L237-I282 HydrophobicContact CD2-CD1 4.06Å; V276-I282 HydrophobicContact CB-CB 4.21Å; V276-I282 HydrophobicContact CG2-CB 4.03Å; V276-I282 HydrophobicContact CG2-CG2 4.26Å; V276-I282 PolarHBondContact O-N 3Å; Q277-I282 WeakPolarHBondContact CA-O 3.46Å; Q277-I282 PolarHBondContact N-O 3.49Å; Q277-I282 PolarHBondContact OE1-O 3.39Å; F280-I282 VanDerWaalsContact C-N 3.29Å; F280-I282 HydrophobicContact CB-CD1 3.95Å; F280-I282 HydrophobicContact CB-CG1 4.01Å; F280-I282 PolarHBondContact O-N 3.1Å; I282-H284 WeakPolarHBondContact CG2-NE2 3.45Å; I282-N745 WeakPolarHBondContact CD1-O 3.36Å; I282-N745 HydrophobicContact CG2-CB 4.21Å; I282-H748 HydrophobicContact CD1-CB 4.09Å; I282-H748 HydrophobicContact CG1-CB 3.64Å
283	N	95.9	Very high	97.7	Very high	21 Å²	21	21.3 Å²	21.3	11%	0.112	11%	0.108	C	C	.	.			trans	-99.1	121.6	-170.3	-171.6	-23.9	0	0	0	113	E27 D28 F285	E27-N283 HydrophobicContact CB-CB 4.2Å; E27-N283 HydrophobicContact CG-CB 4.07Å; D28-N283 PolarHBondContact O-ND2 3.13Å; N283-F285 WeakPolarHBondContact OD1-CD2 3.38Å; N283-F285 PolarHBondContact OD1-N 3.29Å
284	H	97.6	Very high	97.7	Very high	15 Å²	15	22.5 Å²	22.5	7%	0.069	11%	0.113	C	C	.	.			trans	-117.9	6.1	177.5	-68.1	-56.9	0	0	0	114.5	E241 M273 I282 G286 H287	E241-H284 IonicContact OE1-CD2 2.76Å; E241-H284 IonicContact OE1-CE1 3.78Å; E241-H284 PolarHBondContact OE1-CE1 3.34Å; E241-H284 IonicContact OE1-NE2 2.86Å; E241-H284 PolarHBondContact OE1-NE2 2.9Å; E241-H284 IonicContact OE2-CE1 3.8Å; E241-H284 PolarHBondContact OE2-CE1 2.99Å; E241-H284 IonicContact OE2-NE2 3.75Å; E241-H284 PolarHBondContact OE2-NE2 3.5Å; M273-H284 HydrophobicContact CB-CB 4.46Å; M273-H284 HydrophobicContact CE-CB 4.17Å; M273-H284 HydrophobicContact CG-CB 3.86Å; M273-H284 HydrophobicContact SD-CB 4.23Å; I282-H284 WeakPolarHBondContact CG2-NE2 3.45Å; H284-G286 VanDerWaalsContact C-N 3.26Å; H284-G286 PolarHBondContact O-N 3.34Å; H284-H287 WeakPolarHBondContact O-CB 3.41Å; H284-H287 PolarHBondContact O-N 3.24Å; H284-H287 VanDerWaalsContact O-N 3.15Å
285	F	96.6	Very high	97.7	Very high	1 Å²	1	22.3 Å²	22.3	0%	0.004	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-16.3	-171.5	-65	-83.5	0	0	0	113.5	A31 I33 M273 Q277 N283 H287 L290 F328 F332	A31-F285 HydrophobicContact CB-CB 3.88Å; A31-F285 HydrophobicContact CB-CD2 3.94Å; A31-F285 HydrophobicContact CB-CG 3.92Å; I33-F285 HydrophobicContact CD1-CE1 3.83Å; I33-F285 HydrophobicContact CD1-CE2 3.62Å; I33-F285 HydrophobicContact CD1-CZ 3.17Å; M273-F285 HydrophobicContact CB-CZ 4.16Å; Q277-F285 HydrophobicContact CB-CE2 3.83Å; Q277-F285 HydrophobicContact CG-CE2 4.03Å; N283-F285 WeakPolarHBondContact OD1-CD2 3.38Å; N283-F285 PolarHBondContact OD1-N 3.29Å; F285-H287 VanDerWaalsContact C-N 3.29Å; F285-L290 HydrophobicContact CD1-CD2 4.43Å; F285-F328 HydrophobicContact CD1-CZ 4.39Å; F285-F328 HydrophobicContact CE1-CE1 4.07Å; F285-F328 HydrophobicContact CE1-CE2 4.06Å; F285-F328 AromaticContact CE1-CZ 3.43Å; F285-F328 HydrophobicContact CE1-CZ 3.43Å; F285-F328 VanDerWaalsContact CE1-CZ 3.43Å; F285-F328 HydrophobicContact CZ-CZ 4.08Å; F285-F332 HydrophobicContact CD1-CB 3.52Å; F285-F332 HydrophobicContact CD1-CG 4.31Å; F285-F332 HydrophobicContact CE1-CB 3.61Å; F285-F332 HydrophobicContact CE1-CD2 4.26Å; F285-F332 AromaticContact CE1-CG 3.93Å; F285-F332 HydrophobicContact CE1-CG 3.93Å
286	G	94.8	Very high	97.7	Very high	9 Å²	9	22.3 Å²	22.3	9%	0.093	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-2.3	171.1	0	0	0	0	0	114.9	H284	H284-G286 VanDerWaalsContact C-N 3.26Å; H284-G286 PolarHBondContact O-N 3.34Å
287	H	97.9	Very high	97.7	Very high	10 Å²	10	22.4 Å²	22.4	5%	0.046	12%	0.115	C	C	.	.			trans	-60.9	132.6	-169.9	-168.2	-81.2	0	0	0	112.9	I244 Q248 H284 F285 W289 L290 K291	I244-H287 PolarHBondContact O-NE2 3.17Å; Q248-H287 WeakPolarHBondContact CG-NE2 3.46Å; H284-H287 WeakPolarHBondContact O-CB 3.41Å; H284-H287 PolarHBondContact O-N 3.24Å; H284-H287 VanDerWaalsContact O-N 3.15Å; F285-H287 VanDerWaalsContact C-N 3.29Å; H287-W289 WeakPolarHBondContact ND1-CB 3.28Å; H287-W289 PolarHBondContact ND1-N 3.11Å; H287-W289 PolarHBondContact O-N 3.47Å; H287-L290 HydrophobicContact CB-CB 4.06Å; H287-L290 WeakPolarHBondContact O-CB 3.31Å; H287-L290 PolarHBondContact O-N 2.71Å; H287-L290 VanDerWaalsContact O-N 3.13Å; H287-K291 PolarHBondContact O-N 3.47Å
288	P	97.8	Very high	97.8	Very high	65 Å²	65	22.1 Å²	22.1	42%	0.422	11%	0.114	S	C	.	.	H	α-helix	trans	-61.3	-44.8	-173.7	22.6	-33.3	0	0	0	113.3	Q248 L290 K291 Q292	Q248-P288 HydrophobicContact CB-CG 4.32Å; Q248-P288 HydrophobicContact CG-CG 4.29Å; P288-L290 VanDerWaalsContact C-N 3.29Å; P288-L290 PolarHBondContact O-N 3.43Å; P288-K291 PolarHBondContact O-N 3.29Å; P288-Q292 PolarHBondContact O-N 2.88Å
289	W	98.8	Very high	97.8	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.5	-39	175.7	169.1	93.9	0	0	0	112.3	L247 G253 S254 L255 T266 L269 F270 H287 K291 Q292 H293	L247-W289 HydrophobicContact CD1-CD2 3.98Å; L247-W289 HydrophobicContact CD1-CG 3.87Å; L247-W289 HydrophobicContact CD2-CD2 3.62Å; L247-W289 HydrophobicContact CD2-CE3 3.55Å; L247-W289 HydrophobicContact CD2-CG 4.09Å; L247-W289 HydrophobicContact CD2-CH2 4.43Å; L247-W289 HydrophobicContact CD2-CZ2 4.47Å; L247-W289 HydrophobicContact CD2-CZ3 3.99Å; L247-W289 HydrophobicContact CG-CB 4.03Å; L247-W289 HydrophobicContact CG-CD2 3.77Å; L247-W289 HydrophobicContact CG-CE3 4.18Å; L247-W289 HydrophobicContact CG-CG 3.68Å; G253-W289 VanDerWaalsContact C-NE1 3.29Å; G253-W289 VanDerWaalsContact CA-CD1 3.48Å; G253-W289 PolarHBondContact O-NE1 3.46Å; S254-W289 PolarHBondContact O-NE1 2.93Å; L255-W289 HydrophobicContact CD1-CZ2 4.1Å; L255-W289 HydrophobicContact CD2-CZ2 4.14Å; L255-W289 HydrophobicContact CG-CZ2 4Å; T266-W289 HydrophobicContact CG2-CH2 3.71Å; T266-W289 HydrophobicContact CG2-CZ2 4.22Å; L269-W289 HydrophobicContact CD2-CH2 3.87Å; L269-W289 HydrophobicContact CD2-CZ3 3.78Å; F270-W289 HydrophobicContact CE1-CH2 4.19Å; F270-W289 HydrophobicContact CE1-CZ3 4.09Å; H287-W289 WeakPolarHBondContact ND1-CB 3.28Å; H287-W289 PolarHBondContact ND1-N 3.11Å; H287-W289 PolarHBondContact O-N 3.47Å; W289-K291 VanDerWaalsContact C-N 3.29Å; W289-K291 PolarHBondContact O-N 3.25Å; W289-Q292 PolarHBondContact O-N 3.38Å; W289-H293 AromaticContact CE2-ND1 3.86Å; W289-H293 HydrophobicContact CH2-CB 4.33Å; W289-H293 AromaticContact CH2-CG 3.81Å; W289-H293 AromaticContact CH2-ND1 3.67Å; W289-H293 HydrophobicContact CZ2-CB 4.37Å; W289-H293 AromaticContact CZ2-CE1 3.69Å; W289-H293 AromaticContact CZ2-CG 3.81Å; W289-H293 AromaticContact CZ2-ND1 3.23Å; W289-H293 WeakPolarHBondContact CZ2-ND1 3.42Å; W289-H293 PolarHBondContact O-N 3.15Å
290	L	98.6	Very high	97.9	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.005	12%	0.116	C	C	.	.	H	α-helix	trans	-65.1	-36.8	-176.8	-176.1	66.7	0	0	0	111.2	F270 M273 F285 H287 P288 Q292 H293 F328 L329 V333	F270-L290 HydrophobicContact CD1-CD1 4.29Å; F270-L290 HydrophobicContact CE1-CD1 3.43Å; F270-L290 VanDerWaalsContact CE1-CD1 3.43Å; F270-L290 HydrophobicContact CZ-CD1 3.73Å; M273-L290 HydrophobicContact SD-CD1 4.4Å; M273-L290 HydrophobicContact SD-CD2 4.09Å; F285-L290 HydrophobicContact CD1-CD2 4.43Å; H287-L290 HydrophobicContact CB-CB 4.06Å; H287-L290 WeakPolarHBondContact O-CB 3.31Å; H287-L290 PolarHBondContact O-N 2.71Å; H287-L290 VanDerWaalsContact O-N 3.13Å; P288-L290 VanDerWaalsContact C-N 3.29Å; P288-L290 PolarHBondContact O-N 3.43Å; L290-Q292 PolarHBondContact O-N 3.48Å; L290-H293 PolarHBondContact O-N 2.89Å; L290-F328 HydrophobicContact CD1-CE1 4.49Å; L290-L329 HydrophobicContact CD1-CD2 3.63Å; L290-L329 HydrophobicContact CG-CD2 4.21Å; L290-V333 HydrophobicContact CD1-CG2 4.45Å; L290-V333 HydrophobicContact CD2-CG2 3.64Å; L290-V333 HydrophobicContact CG-CG2 3.79Å
291	K	97.5	Very high	97.9	Very high	103 Å²	103	22.7 Å²	22.7	45%	0.448	12%	0.115	S	C	.	.	H	α-helix	trans	-65.8	-25.6	175.5	-66.8	-177.4	178.3	-175	0	113.3	H287 P288 W289 V333	H287-K291 PolarHBondContact O-N 3.47Å; P288-K291 PolarHBondContact O-N 3.29Å; W289-K291 VanDerWaalsContact C-N 3.29Å; W289-K291 PolarHBondContact O-N 3.25Å; K291-V333 HydrophobicContact CG-CG1 3.97Å
292	Q	98.6	Very high	98.1	Very high	95 Å²	95	20 Å²	20	44%	0.444	10%	0.101	S	C	.	.	H	α-helix	trans	-93.5	-17.5	178.1	-60.5	-59.7	-25.5	0	0	112.6	T251 P288 W289 L290 F294 A295	T251-Q292 WeakPolarHBondContact O-CG 3.46Å; P288-Q292 PolarHBondContact O-N 2.88Å; W289-Q292 PolarHBondContact O-N 3.38Å; L290-Q292 PolarHBondContact O-N 3.48Å; Q292-F294 PolarHBondContact O-N 3.21Å; Q292-A295 VanDerWaalsContact O-CB 3.26Å; Q292-A295 WeakPolarHBondContact O-CB 3.4Å; Q292-A295 PolarHBondContact O-N 2.88Å
293	H	98.9	Very high	98.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-60.8	-24.5	-171.6	-166.9	61.4	0	0	0	114.5	G253 T266 F270 W289 L290 A295 F296 M297 L329	G253-H293 PolarHBondContact O-ND1 3.24Å; T266-H293 WeakPolarHBondContact CG2-NE2 3.49Å; F270-H293 AromaticContact CZ-CD2 3.73Å; W289-H293 AromaticContact CE2-ND1 3.86Å; W289-H293 HydrophobicContact CH2-CB 4.33Å; W289-H293 AromaticContact CH2-CG 3.81Å; W289-H293 AromaticContact CH2-ND1 3.67Å; W289-H293 HydrophobicContact CZ2-CB 4.37Å; W289-H293 AromaticContact CZ2-CE1 3.69Å; W289-H293 AromaticContact CZ2-CG 3.81Å; W289-H293 AromaticContact CZ2-ND1 3.23Å; W289-H293 WeakPolarHBondContact CZ2-ND1 3.42Å; W289-H293 PolarHBondContact O-N 3.15Å; L290-H293 PolarHBondContact O-N 2.89Å; H293-A295 PolarHBondContact O-N 3.43Å; H293-F296 AromaticContact CE1-CD1 3.62Å; H293-F296 WeakPolarHBondContact O-CB 3.45Å; H293-F296 PolarHBondContact O-N 3.4Å; H293-F296 VanDerWaalsContact O-N 3.14Å; H293-M297 PolarHBondContact O-N 3.49Å; H293-L329 HydrophobicContact CB-CD2 4.47Å
294	F	98.9	Very high	98.3	Very high	26 Å²	26	20 Å²	20	11%	0.114	10%	0.104	C	C	.	.	H	α-helix	trans	-59.1	-37.1	171.2	180	-104.9	0	0	0	112.3	Q292 F296 M297 Y298 L326 L329 M334 L342 P383	Q292-F294 PolarHBondContact O-N 3.21Å; F294-F296 VanDerWaalsContact C-N 3.27Å; F294-F296 PolarHBondContact O-N 2.69Å; F294-M297 PolarHBondContact O-N 2.94Å; F294-Y298 HydrophobicContact CE1-CD1 4Å; F294-Y298 AromaticContact CE1-CG 3.87Å; F294-Y298 HydrophobicContact CE1-CG 3.87Å; F294-Y298 HydrophobicContact CZ-CD2 4.29Å; F294-Y298 HydrophobicContact CZ-CG 4.04Å; F294-Y298 VanDerWaalsContact O-CB 3.28Å; F294-Y298 WeakPolarHBondContact O-CB 3.38Å; F294-Y298 PolarHBondContact O-N 3.5Å; F294-L326 HydrophobicContact CD2-CD2 4.16Å; F294-L326 HydrophobicContact CE2-CD2 4.25Å; F294-L329 HydrophobicContact CB-CD1 4.24Å; F294-M334 HydrophobicContact CB-CE 4.37Å; F294-M334 HydrophobicContact CB-SD 3.47Å; F294-M334 WeakPolarHBondContact CB-SD 3.25Å; F294-M334 HydrophobicContact CD1-SD 3.97Å; F294-M334 HydrophobicContact CD2-CE 3.58Å; F294-M334 HydrophobicContact CD2-SD 3.63Å; F294-M334 HydrophobicContact CE2-CE 4.05Å; F294-M334 HydrophobicContact CE2-SD 4.35Å; F294-M334 HydrophobicContact CG-CE 4.03Å; F294-M334 HydrophobicContact CG-SD 3.4Å; F294-M334 WeakPolarHBondContact CG-SD 3.28Å; F294-L342 HydrophobicContact CE2-CB 4.31Å; F294-L342 HydrophobicContact CE2-CD2 3.94Å; F294-L342 HydrophobicContact CZ-CD2 4.34Å; F294-P383 HydrophobicContact CE1-CG 3.9Å; F294-P383 HydrophobicContact CZ-CG 3.83Å
295	A	98.8	Very high	98.3	Very high	14 Å²	14	19.5 Å²	19.5	12%	0.116	10%	0.102	C	C	.	.	H	α-helix	trans	-61.2	-38.4	176.6	0	0	0	0	0	111.3	Q292 H293 M297 Y298 R299 F394	Q292-A295 VanDerWaalsContact O-CB 3.26Å; Q292-A295 WeakPolarHBondContact O-CB 3.4Å; Q292-A295 PolarHBondContact O-N 2.88Å; H293-A295 PolarHBondContact O-N 3.43Å; A295-M297 VanDerWaalsContact C-N 3.34Å; A295-M297 PolarHBondContact O-N 2.84Å; A295-Y298 PolarHBondContact O-N 2.93Å; A295-R299 HydrophobicContact CB-CG 4.38Å; A295-R299 WeakPolarHBondContact O-CB 3.12Å; A295-R299 VanDerWaalsContact O-CG 3.25Å; A295-R299 WeakPolarHBondContact O-CG 3.45Å; A295-R299 PolarHBondContact O-N 3.33Å; A295-F394 HydrophobicContact CB-CE1 4.43Å
296	F	98.9	Very high	98.4	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-60.4	-42.1	177.1	-172.5	-117.7	0	0	0	112.2	G253 V259 H293 F294 T300 F394 W397	G253-F296 WeakPolarHBondContact O-CB 3.26Å; V259-F296 HydrophobicContact CB-CE1 4.47Å; V259-F296 HydrophobicContact CB-CZ 4.4Å; V259-F296 HydrophobicContact CG2-CE1 4.26Å; V259-F296 HydrophobicContact CG2-CE2 4.19Å; V259-F296 HydrophobicContact CG2-CZ 3.87Å; H293-F296 AromaticContact CE1-CD1 3.62Å; H293-F296 WeakPolarHBondContact O-CB 3.45Å; H293-F296 PolarHBondContact O-N 3.4Å; H293-F296 VanDerWaalsContact O-N 3.14Å; F294-F296 VanDerWaalsContact C-N 3.27Å; F294-F296 PolarHBondContact O-N 2.69Å; F296-T300 HydrophobicContact CD2-CG2 4.37Å; F296-T300 WeakPolarHBondContact O-CB 3.38Å; F296-T300 WeakPolarHBondContact O-CG2 3.15Å; F296-T300 PolarHBondContact O-OG1 3.32Å; F296-F394 HydrophobicContact CB-CE1 4.3Å; F296-F394 HydrophobicContact CD2-CE1 4.2Å; F296-F394 HydrophobicContact CD2-CZ 4.36Å; F296-W397 HydrophobicContact CD2-CE3 4.28Å; F296-W397 HydrophobicContact CD2-CZ3 4.23Å; F296-W397 HydrophobicContact CE2-CD2 4.23Å; F296-W397 AromaticContact CE2-CE3 3.7Å; F296-W397 HydrophobicContact CE2-CE3 3.7Å; F296-W397 AromaticContact CE2-CH2 3.95Å; F296-W397 HydrophobicContact CE2-CH2 3.95Å; F296-W397 HydrophobicContact CE2-CZ2 4.44Å; F296-W397 AromaticContact CE2-CZ3 3.55Å; F296-W397 HydrophobicContact CE2-CZ3 3.55Å; F296-W397 HydrophobicContact CZ-CH2 4.49Å; F296-W397 HydrophobicContact CZ-CZ3 4.49Å
297	M	98.8	Very high	98.6	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.005	12%	0.124	C	C	.	.	H	α-helix	trans	-76.7	-41.8	177	-64.1	-64.1	179.9	0	0	113	V259 H293 F294 A295 P322 L326 L342	V259-M297 HydrophobicContact CG1-SD 4.44Å; H293-M297 PolarHBondContact O-N 3.49Å; F294-M297 PolarHBondContact O-N 2.94Å; A295-M297 VanDerWaalsContact C-N 3.34Å; A295-M297 PolarHBondContact O-N 2.84Å; M297-P322 HydrophobicContact SD-CB 4.27Å; M297-L326 HydrophobicContact CB-CD2 3.98Å; M297-L326 HydrophobicContact CG-CD2 4.32Å; M297-L342 HydrophobicContact CB-CD2 4.4Å
298	Y	98.9	Very high	98.6	Very high	5 Å²	5	25.1 Å²	25.1	2%	0.02	12%	0.124	C	C	.	.	H	α-helix	trans	-74.9	-35.8	-175.6	-179.9	-125.1	0	0	0	113.1	F294 A295 W341 L342 P383 D385 Y386 A405	F294-Y298 HydrophobicContact CE1-CD1 4Å; F294-Y298 AromaticContact CE1-CG 3.87Å; F294-Y298 HydrophobicContact CE1-CG 3.87Å; F294-Y298 HydrophobicContact CZ-CD2 4.29Å; F294-Y298 HydrophobicContact CZ-CG 4.04Å; F294-Y298 VanDerWaalsContact O-CB 3.28Å; F294-Y298 WeakPolarHBondContact O-CB 3.38Å; F294-Y298 PolarHBondContact O-N 3.5Å; A295-Y298 PolarHBondContact O-N 2.93Å; Y298-W341 HydrophobicContact CD2-CZ3 4.36Å; Y298-W341 HydrophobicContact CE2-CH2 4.33Å; Y298-W341 AromaticContact CE2-CZ3 3.88Å; Y298-W341 HydrophobicContact CE2-CZ3 3.88Å; Y298-L342 HydrophobicContact CD2-CD2 4.23Å; Y298-P383 HydrophobicContact CD1-CG 4.44Å; Y298-P383 HydrophobicContact CD2-CG 4.3Å; Y298-P383 HydrophobicContact CE1-CB 3.98Å; Y298-P383 HydrophobicContact CE1-CG 3.96Å; Y298-P383 HydrophobicContact CE2-CB 4.49Å; Y298-P383 HydrophobicContact CE2-CG 3.81Å; Y298-D385 WeakPolarHBondContact CE1-OD1 3.13Å; Y298-D385 PolarHBondContact OH-OD1 3.44Å; Y298-Y386 WeakPolarHBondContact OH-CA 3.46Å; Y298-A405 HydrophobicContact CD2-CB 3.46Å; Y298-A405 VanDerWaalsContact CD2-CB 3.46Å; Y298-A405 HydrophobicContact CE2-CB 3.21Å; Y298-A405 HydrophobicContact CG-CB 4.43Å; Y298-A405 WeakPolarHBondContact O-CB 3.27Å
299	R	98.8	Very high	98.7	Very high	39 Å²	39	22.2 Å²	22.2	15%	0.147	11%	0.105	C	C	.	.	H	α-helix	trans	-90.3	-6.1	-174.4	-54.3	-62.9	-174.2	-175	-1.5	114.3	A295 D385 H392 F394 T401 S404	A295-R299 HydrophobicContact CB-CG 4.38Å; A295-R299 WeakPolarHBondContact O-CB 3.12Å; A295-R299 VanDerWaalsContact O-CG 3.25Å; A295-R299 WeakPolarHBondContact O-CG 3.45Å; A295-R299 PolarHBondContact O-N 3.33Å; R299-D385 IonicContact CZ-OD2 3.74Å; R299-D385 IonicContact NH1-OD1 2.73Å; R299-D385 IonicContact NH1-OD2 2.82Å; R299-D385 PolarHBondContact NH1-OD2 3.03Å; R299-D385 IonicContact NH2-OD1 2.75Å; R299-D385 IonicContact NH2-OD2 3.7Å; R299-D385 PolarHBondContact NH2-OD2 2.92Å; R299-H392 HydrophobicContact CB-CB 4.18Å; R299-H392 HydrophobicContact CG-CB 3.97Å; R299-F394 HydrophobicContact CB-CE2 4.1Å; R299-F394 HydrophobicContact CB-CZ 3.81Å; R299-T401 WeakPolarHBondContact O-CB 3.43Å; R299-T401 WeakPolarHBondContact O-CG2 3.33Å; R299-T401 PolarHBondContact O-OG1 2.99Å; R299-T401 VanDerWaalsContact O-OG1 3.11Å; R299-S404 VanDerWaalsContact CA-OG 3.26Å; R299-S404 WeakPolarHBondContact CA-OG 3.35Å; R299-S404 WeakPolarHBondContact O-CB 3.42Å; R299-S404 PolarHBondContact O-OG 2.84Å; R299-S404 VanDerWaalsContact O-OG 3.05Å
300	T	98.9	Very high	98.7	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-109	-5.8	-178.8	62.4	0	0	0	0	113.7	V259 F296 T308 V309 F394 W397	V259-T300 HydrophobicContact CG2-CG2 3.85Å; V259-T300 WeakPolarHBondContact CG2-OG1 3.36Å; F296-T300 HydrophobicContact CD2-CG2 4.37Å; F296-T300 WeakPolarHBondContact O-CB 3.38Å; F296-T300 WeakPolarHBondContact O-CG2 3.15Å; F296-T300 PolarHBondContact O-OG1 3.32Å; T300-T308 CarbonylContact O-C 3.55Å; T300-T308 VanDerWaalsContact O-CA 3.22Å; T300-T308 WeakPolarHBondContact O-CA 3.21Å; T300-V309 HydrophobicContact CG2-CG1 4.31Å; T300-V309 PolarHBondContact O-N 3.02Å; T300-F394 HydrophobicContact CG2-CE2 3.91Å; T300-F394 HydrophobicContact CG2-CZ 4.02Å; T300-W397 HydrophobicContact CG2-CZ3 3.94Å
301	V	98.7	Very high	98.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-81.1	132.8	174.9	72.5	0	0	0	0	110.3	F305 R307 W318 S404 A405	V301-F305 HydrophobicContact CG1-CD1 4.33Å; V301-F305 HydrophobicContact CG2-CD1 4.45Å; V301-R307 WeakPolarHBondContact CG2-O 3.47Å; V301-W318 HydrophobicContact CB-CZ2 4.38Å; V301-W318 HydrophobicContact CG2-CH2 3.9Å; V301-W318 HydrophobicContact CG2-CZ2 4.05Å; V301-S404 VanDerWaalsContact O-CA 3.3Å; V301-S404 WeakPolarHBondContact O-CA 3.19Å; V301-S404 WeakPolarHBondContact O-CB 3.48Å; V301-A405 HydrophobicContact CG1-CB 3.61Å; V301-A405 PolarHBondContact O-N 2.68Å
302	L	98.8	Very high	98.7	Very high	16 Å²	16	17.6 Å²	17.6	8%	0.084	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-75.4	162.7	178	-87.6	63.7	0	0	0	111	G304 F305 R307 T308 F414	L302-G304 PolarHBondContact O-N 3.44Å; L302-F305 PolarHBondContact O-N 3.4Å; L302-F305 VanDerWaalsContact O-N 3.13Å; L302-R307 HydrophobicContact CB-CB 4.3Å; L302-R307 HydrophobicContact CD2-CB 4.15Å; L302-R307 PolarHBondContact N-O 2.96Å; L302-T308 WeakPolarHBondContact CD1-O 3.38Å; L302-F414 HydrophobicContact CD1-CD1 3.87Å; L302-F414 HydrophobicContact CD1-CD2 4.32Å; L302-F414 HydrophobicContact CD1-CE1 3.6Å; L302-F414 HydrophobicContact CD1-CE2 4.08Å; L302-F414 HydrophobicContact CD1-CG 4.22Å; L302-F414 HydrophobicContact CD1-CZ 3.72Å; L302-F414 HydrophobicContact CD2-CD1 4.46Å; L302-F414 HydrophobicContact CG-CB 4.37Å; L302-F414 HydrophobicContact CG-CD1 3.78Å; L302-F414 HydrophobicContact CG-CD2 4.28Å; L302-F414 HydrophobicContact CG-CE1 4.07Å; L302-F414 HydrophobicContact CG-CG 3.89Å; L302-F414 HydrophobicContact CG-CZ 4.44Å
303	P	98.7	Very high	98.7	Very high	10 Å²	10	13.1 Å²	13.1	7%	0.065	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	135.5	172.3	-27.4	32.5	0	0	0	112.2	L406 F414	P303-L406 CarbonylContact C-O 3.49Å; P303-L406 WeakPolarHBondContact CA-O 3.18Å; P303-L406 HydrophobicContact CB-CB 4.3Å; P303-L406 HydrophobicContact CG-CB 4.27Å; P303-F414 VanDerWaalsContact CD-CB 3.49Å; P303-F414 HydrophobicContact CG-CB 4.01Å
304	G	98.2	Very high	98.6	Very high	10 Å²	10	13.1 Å²	13.1	10%	0.103	7%	0.066	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	1.7	-176.1	0	0	0	0	0	115.4	L302 Q306 H349 L406	L302-G304 PolarHBondContact O-N 3.44Å; G304-Q306 PolarHBondContact O-N 3.42Å; G304-Q306 VanDerWaalsContact O-N 3.12Å; G304-H349 WeakPolarHBondContact O-CB 3.26Å; G304-L406 PolarHBondContact N-O 2.76Å
305	F	98.7	Very high	98.6	Very high	4 Å²	4	12.2 Å²	12.2	2%	0.018	6%	0.062	C	C	.	.	S	Bend	trans	62.8	18.6	167.8	-55.3	-86.2	0	0	0	116.4	V301 L302 W341 L342 Q345 I346 H349 Y386 A405	V301-F305 HydrophobicContact CG1-CD1 4.33Å; V301-F305 HydrophobicContact CG2-CD1 4.45Å; L302-F305 PolarHBondContact O-N 3.4Å; L302-F305 VanDerWaalsContact O-N 3.13Å; F305-W341 AromaticContact CE1-CH2 3.92Å; F305-W341 HydrophobicContact CE1-CH2 3.92Å; F305-W341 HydrophobicContact CE1-CZ3 4.42Å; F305-W341 AromaticContact CZ-CH2 3.84Å; F305-W341 HydrophobicContact CZ-CH2 3.84Å; F305-W341 HydrophobicContact CZ-CZ2 4.25Å; F305-L342 HydrophobicContact CD1-CD1 3.92Å; F305-L342 HydrophobicContact CE1-CD1 3.92Å; F305-Q345 HydrophobicContact CB-CB 4.35Å; F305-Q345 HydrophobicContact CD1-CB 3.71Å; F305-Q345 HydrophobicContact CD1-CG 4.4Å; F305-Q345 HydrophobicContact CD2-CB 4.12Å; F305-Q345 HydrophobicContact CE1-CB 3.93Å; F305-Q345 HydrophobicContact CE1-CG 4.11Å; F305-Q345 HydrophobicContact CE2-CB 4.33Å; F305-Q345 HydrophobicContact CE2-CG 4.34Å; F305-Q345 HydrophobicContact CG-CB 3.8Å; F305-Q345 HydrophobicContact CZ-CB 4.22Å; F305-Q345 HydrophobicContact CZ-CG 4.07Å; F305-I346 HydrophobicContact CB-CG1 4.49Å; F305-H349 HydrophobicContact CB-CB 4.27Å; F305-Y386 HydrophobicContact CE2-CE2 4.38Å; F305-Y386 AromaticContact CZ-CE2 3.76Å; F305-Y386 HydrophobicContact CZ-CE2 3.76Å; F305-A405 HydrophobicContact CE1-CB 3.92Å; F305-A405 HydrophobicContact CZ-CB 4.45Å; F305-A405 WeakPolarHBondContact CZ-O 3.47Å
306	Q	98.5	Very high	98.5	Very high	85 Å²	85	12.7 Å²	12.7	40%	0.397	6%	0.061	S	C	.	.	S	Bend	trans	-101.4	-34.5	-176.9	-78.3	178.6	-12.1	0	0	114.5	G304 N317 H349 V351	G304-Q306 PolarHBondContact O-N 3.42Å; G304-Q306 VanDerWaalsContact O-N 3.12Å; Q306-N317 WeakPolarHBondContact O-CB 3.24Å; Q306-N317 PolarHBondContact O-ND2 3.38Å; Q306-H349 HydrophobicContact CG-CB 4.15Å; Q306-H349 WeakPolarHBondContact CG-O 3.34Å; Q306-H349 PolarHBondContact NE2-O 3.32Å; Q306-V351 HydrophobicContact CB-CG2 4.34Å; Q306-V351 HydrophobicContact CG-CG2 4.04Å
307	R	98.7	Very high	98.5	Very high	48 Å²	48	13.2 Å²	13.2	18%	0.181	6%	0.063	C	C	.	.			trans	-120.2	155.5	-173.7	-65	-173.1	179	-158	-1.4	111	V301 L302 Y316 D591	V301-R307 WeakPolarHBondContact CG2-O 3.47Å; L302-R307 HydrophobicContact CB-CB 4.3Å; L302-R307 HydrophobicContact CD2-CB 4.15Å; L302-R307 PolarHBondContact N-O 2.96Å; R307-Y316 CarbonylContact C-O 3.58Å; R307-Y316 VanDerWaalsContact CA-O 3.25Å; R307-Y316 WeakPolarHBondContact CA-O 3.48Å; R307-D591 IonicContact CZ-OD2 2.68Å; R307-D591 IonicContact NH1-OD2 3.47Å; R307-D591 PolarHBondContact NH1-OD2 2.64Å; R307-D591 IonicContact NH2-OD1 3.13Å; R307-D591 IonicContact NH2-OD2 3.77Å; R307-D591 PolarHBondContact NH2-OD2 3.23Å
308	T	98.9	Very high	98.5	Very high	5 Å²	5	13.7 Å²	13.7	3%	0.031	7%	0.065	C	C	.	.	B	Isolated β-bridge	trans	-110.4	173.3	168.1	66.4	0	0	0	0	109.8	V259 T300 L302 A310 Y316 N317 W318	V259-T308 HydrophobicContact CB-CG2 4.47Å; V259-T308 HydrophobicContact CG1-CG2 3.74Å; T300-T308 CarbonylContact O-C 3.55Å; T300-T308 VanDerWaalsContact O-CA 3.22Å; T300-T308 WeakPolarHBondContact O-CA 3.21Å; L302-T308 WeakPolarHBondContact CD1-O 3.38Å; T308-A310 PolarHBondContact O-N 3.38Å; T308-A310 VanDerWaalsContact O-N 3.09Å; T308-Y316 PolarHBondContact N-O 3.14Å; T308-N317 HydrophobicContact CG2-CB 4.19Å; T308-N317 WeakPolarHBondContact CG2-O 3.48Å; T308-N317 WeakPolarHBondContact OG1-CA 3.1Å; T308-N317 PolarHBondContact OG1-O 3.27Å; T308-W318 HydrophobicContact CG2-CD2 4Å; T308-W318 HydrophobicContact CG2-CG 4.49Å; T308-W318 HydrophobicContact CG2-CH2 4.12Å; T308-W318 HydrophobicContact CG2-CZ2 3.44Å; T308-W318 VanDerWaalsContact CG2-CZ2 3.44Å
309	V	98.6	Very high	98.5	Very high	4 Å²	4	14.5 Å²	14.5	2%	0.024	7%	0.069	C	C	.	.			trans	-56.5	-22.9	178.6	71	0	0	0	0	113.5	V259 T300 I311 W397 F414 S416 E470	V259-V309 HydrophobicContact CG2-CG1 4.12Å; T300-V309 HydrophobicContact CG2-CG1 4.31Å; T300-V309 PolarHBondContact O-N 3.02Å; V309-I311 VanDerWaalsContact C-N 3.25Å; V309-I311 HydrophobicContact CG1-CB 4.41Å; V309-I311 HydrophobicContact CG1-CD1 4.1Å; V309-I311 HydrophobicContact CG1-CG1 4.21Å; V309-I311 HydrophobicContact CG2-CD1 3.78Å; V309-I311 HydrophobicContact CG2-CG1 4.01Å; V309-I311 PolarHBondContact O-N 3.03Å; V309-W397 HydrophobicContact CG1-CH2 3.93Å; V309-W397 HydrophobicContact CG1-CZ3 4.48Å; V309-F414 HydrophobicContact CB-CE1 4.44Å; V309-F414 HydrophobicContact CB-CZ 4.13Å; V309-F414 HydrophobicContact CG2-CE1 4.11Å; V309-F414 HydrophobicContact CG2-CZ 4.09Å; V309-S416 VanDerWaalsContact CG2-CB 3.45Å; V309-S416 VanDerWaalsContact CG2-OG 3.3Å; V309-S416 WeakPolarHBondContact CG2-OG 3.45Å; V309-E470 WeakPolarHBondContact O-CG 3.19Å
310	A	98.6	Very high	98.5	Very high	8 Å²	8	12.7 Å²	12.7	7%	0.066	6%	0.062	C	C	.	.			trans	56.8	28.3	173.5	0	0	0	0	0	116.2	T308 E470 L472	T308-A310 PolarHBondContact O-N 3.38Å; T308-A310 VanDerWaalsContact O-N 3.09Å; A310-E470 HydrophobicContact CB-CB 4.28Å; A310-E470 WeakPolarHBondContact O-CB 3.46Å; A310-L472 HydrophobicContact CB-CD2 3.89Å
311	I	98.8	Very high	98.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.			trans	-65	146.7	169.6	-72.7	166.4	0	0	0	110.1	V309 W397 V399 K418 E470	V309-I311 VanDerWaalsContact C-N 3.25Å; V309-I311 HydrophobicContact CG1-CB 4.41Å; V309-I311 HydrophobicContact CG1-CD1 4.1Å; V309-I311 HydrophobicContact CG1-CG1 4.21Å; V309-I311 HydrophobicContact CG2-CD1 3.78Å; V309-I311 HydrophobicContact CG2-CG1 4.01Å; V309-I311 PolarHBondContact O-N 3.03Å; I311-W397 HydrophobicContact CB-CH2 4.2Å; I311-W397 HydrophobicContact CB-CZ2 3.88Å; I311-W397 HydrophobicContact CD1-CH2 4.15Å; I311-W397 HydrophobicContact CD1-CZ2 4.29Å; I311-W397 HydrophobicContact CG2-CH2 4.46Å; I311-W397 HydrophobicContact CG2-CZ2 3.69Å; I311-V399 HydrophobicContact CD1-CG1 3.87Å; I311-V399 HydrophobicContact CD1-CG2 3.82Å; I311-K418 HydrophobicContact CD1-CB 4.23Å; I311-K418 HydrophobicContact CG2-CD 3.8Å; I311-E470 HydrophobicContact CG1-CG 4.26Å
312	A	98.4	Very high	98.5	Very high	0 Å²	0	13.2 Å²	13.2	0%	0	7%	0.067	C	C	.	.	S	Bend	trans	65.9	-171	-176.8	0	0	0	0	0	112.5	S314 H450 H452	A312-S314 PolarHBondContact O-N 2.66Å; A312-H450 WeakPolarHBondContact CB-O 3.44Å; A312-H452 PolarHBondContact O-CE1 3.36Å; A312-H452 VanDerWaalsContact O-CE1 3.22Å
313	D	98.2	Very high	98.5	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-60	105.9	174.4	-80.4	-19.7	0	0	0	110.3	Y261 H450 H452 Y473 K476	Y261-D313 HydrophobicContact CD2-CB 4.21Å; Y261-D313 WeakPolarHBondContact CD2-O 3.45Å; Y261-D313 HydrophobicContact CE2-CB 3.81Å; D313-H450 HydrophobicContact CB-CB 4.19Å; D313-H450 PolarHBondContact N-O 3.35Å; D313-H450 IonicContact OD2-CE1 3.36Å; D313-H450 IonicContact OD2-CG 4Å; D313-H450 IonicContact OD2-ND1 3.4Å; D313-H450 PolarHBondContact OD2-ND1 2.75Å; D313-H452 PolarHBondContact N-NE2 3Å; D313-H452 IonicContact OD1-CD2 3.7Å; D313-H452 IonicContact OD1-CE1 3.39Å; D313-H452 IonicContact OD1-NE2 3.07Å; D313-H452 PolarHBondContact OD1-NE2 3.42Å; D313-Y473 HydrophobicContact CB-CD1 4.1Å; D313-Y473 HydrophobicContact CB-CD2 3.88Å; D313-Y473 HydrophobicContact CB-CE1 4.27Å; D313-Y473 HydrophobicContact CB-CE2 4.04Å; D313-Y473 HydrophobicContact CB-CG 3.91Å; D313-Y473 WeakPolarHBondContact OD1-CD1 3.48Å; D313-Y473 WeakPolarHBondContact OD2-CE1 3.47Å; D313-K476 IonicContact OD1-NZ 2.64Å; D313-K476 PolarHBondContact OD1-NZ 3.09Å; D313-K476 VanDerWaalsContact OD2-CE 3.31Å; D313-K476 WeakPolarHBondContact OD2-CE 3.33Å; D313-K476 IonicContact OD2-NZ 3.56Å; D313-K476 PolarHBondContact OD2-NZ 2.78Å
314	S	97.9	Very high	98.5	Very high	1 Å²	1	12.2 Å²	12.2	1%	0.007	6%	0.062	C	C	.	.			trans	-140	154.2	-171	-171.1	0	0	0	0	111.7	A260 A312 L472 Y473	A260-S314 VanDerWaalsContact CB-OG 3.3Å; A260-S314 WeakPolarHBondContact CB-OG 3.36Å; A312-S314 PolarHBondContact O-N 2.66Å; S314-L472 CarbonylContact O-C 3.54Å; S314-L472 WeakPolarHBondContact O-CB 3.36Å; S314-Y473 PolarHBondContact O-N 3.17Å
315	N	97.1	Very high	98.5	Very high	6 Å²	6	11.8 Å²	11.8	3%	0.032	6%	0.057	C	C	.	.			trans	-83.1	-169.4	153.4	65.2	4.3	0	0	0	110.1	N317 W318 F319 Y641	N315-N317 PolarHBondContact O-N 3.42Å; N315-N317 PolarHBondContact OD1-N 3.35Å; N315-N317 PolarHBondContact OD1-O 3.33Å; N315-W318 VanDerWaalsContact ND2-C 3.29Å; N315-W318 PolarHBondContact ND2-O 3.48Å; N315-W318 PolarHBondContact OD1-N 2.91Å; N315-W318 VanDerWaalsContact OD1-N 3.1Å; N315-F319 HydrophobicContact CB-CD1 4.31Å; N315-F319 HydrophobicContact CB-CE1 3.87Å; N315-Y641 HydrophobicContact CB-CE2 3.94Å; N315-Y641 WeakPolarHBondContact CB-OH 3.44Å
316	Y	98.5	Very high	98.5	Very high	24 Å²	24	11.6 Å²	11.6	9%	0.094	6%	0.056	C	C	.	.	S	Bend	trans	-65.8	-15.7	176.4	-68.1	-92.3	0	0	0	113.9	R307 T308 P355 L472 V590 D591 Y641	R307-Y316 CarbonylContact C-O 3.58Å; R307-Y316 VanDerWaalsContact CA-O 3.25Å; R307-Y316 WeakPolarHBondContact CA-O 3.48Å; T308-Y316 PolarHBondContact N-O 3.14Å; Y316-P355 HydrophobicContact CD1-CB 4.37Å; Y316-P355 HydrophobicContact CE1-CB 3.79Å; Y316-P355 HydrophobicContact CE2-CB 4.11Å; Y316-L472 HydrophobicContact CD1-CD1 4.21Å; Y316-L472 HydrophobicContact CD1-CD2 4.45Å; Y316-L472 HydrophobicContact CD2-CD1 3.92Å; Y316-L472 HydrophobicContact CE1-CD1 3.84Å; Y316-L472 HydrophobicContact CE2-CD1 3.5Å; Y316-L472 HydrophobicContact CG-CD1 4.24Å; Y316-L472 HydrophobicContact CG-CD2 4.48Å; Y316-L472 VanDerWaalsContact CZ-CD1 3.45Å; Y316-V590 HydrophobicContact CE1-CG1 3.92Å; Y316-D591 PolarHBondContact OH-OD1 2.94Å; Y316-Y641 AromaticContact CD2-CE1 3.9Å; Y316-Y641 HydrophobicContact CD2-CE1 3.9Å; Y316-Y641 AromaticContact CE2-CD1 3.82Å; Y316-Y641 HydrophobicContact CE2-CD1 3.82Å; Y316-Y641 AromaticContact CE2-CE1 3.54Å; Y316-Y641 HydrophobicContact CE2-CE1 3.54Å
317	N	98.5	Very high	98.5	Very high	11 Å²	11	7.6 Å²	7.6	6%	0.059	4%	0.037	C	C	.	.	S	Bend	trans	-151.5	-93	-171.7	52.2	30.6	0	0	0	114.8	Q306 T308 N315 G356	Q306-N317 WeakPolarHBondContact O-CB 3.24Å; Q306-N317 PolarHBondContact O-ND2 3.38Å; T308-N317 HydrophobicContact CG2-CB 4.19Å; T308-N317 WeakPolarHBondContact CG2-O 3.48Å; T308-N317 WeakPolarHBondContact OG1-CA 3.1Å; T308-N317 PolarHBondContact OG1-O 3.27Å; N315-N317 PolarHBondContact O-N 3.42Å; N315-N317 PolarHBondContact OD1-N 3.35Å; N315-N317 PolarHBondContact OD1-O 3.33Å; N317-G356 PolarHBondContact ND2-O 2.87Å; N317-G356 VanDerWaalsContact ND2-O 3.13Å
318	W	98.7	Very high	98.5	Very high	11 Å²	11	5.3 Å²	5.3	4%	0.042	3%	0.029	C	C	.	.			trans	-133.5	142.2	-177.8	-52.3	-83.7	0	0	0	109.9	V301 T308 N315 P322 I346	V301-W318 HydrophobicContact CB-CZ2 4.38Å; V301-W318 HydrophobicContact CG2-CH2 3.9Å; V301-W318 HydrophobicContact CG2-CZ2 4.05Å; T308-W318 HydrophobicContact CG2-CD2 4Å; T308-W318 HydrophobicContact CG2-CG 4.49Å; T308-W318 HydrophobicContact CG2-CH2 4.12Å; T308-W318 HydrophobicContact CG2-CZ2 3.44Å; T308-W318 VanDerWaalsContact CG2-CZ2 3.44Å; N315-W318 VanDerWaalsContact ND2-C 3.29Å; N315-W318 PolarHBondContact ND2-O 3.48Å; N315-W318 PolarHBondContact OD1-N 2.91Å; N315-W318 VanDerWaalsContact OD1-N 3.1Å; W318-P322 HydrophobicContact CD2-CB 4.25Å; W318-P322 VanDerWaalsContact CD2-CD 3.43Å; W318-P322 HydrophobicContact CD2-CG 3.51Å; W318-P322 VanDerWaalsContact CE3-CD 3.42Å; W318-P322 HydrophobicContact CE3-CG 3.89Å; W318-P322 HydrophobicContact CG-CB 4.04Å; W318-P322 HydrophobicContact CG-CG 3.83Å; W318-P322 HydrophobicContact CH2-CG 4.43Å; W318-P322 HydrophobicContact CZ2-CG 4.06Å; W318-P322 HydrophobicContact CZ3-CG 4.34Å; W318-I346 HydrophobicContact CE3-CG2 4.25Å; W318-I346 HydrophobicContact CH2-CB 4.44Å; W318-I346 HydrophobicContact CH2-CD1 3.5Å; W318-I346 HydrophobicContact CH2-CG1 3.69Å; W318-I346 HydrophobicContact CH2-CG2 3.89Å; W318-I346 HydrophobicContact CZ2-CD1 3.7Å; W318-I346 HydrophobicContact CZ2-CG1 4.36Å; W318-I346 HydrophobicContact CZ3-CB 4.5Å; W318-I346 HydrophobicContact CZ3-CD1 4.17Å; W318-I346 HydrophobicContact CZ3-CG1 4.22Å; W318-I346 HydrophobicContact CZ3-CG2 3.5Å
319	F	98.3	Very high	98.5	Very high	22 Å²	22	5.1 Å²	5.1	10%	0.096	3%	0.028	C	C	.	.	S	Bend	trans	-75	-37.9	172	-72.5	-49.1	0	0	0	112.1	A260 Y261 S263 Y264 N315 Q362 Y473	A260-F319 HydrophobicContact CB-CD2 3.68Å; A260-F319 HydrophobicContact CB-CE2 3.63Å; A260-F319 HydrophobicContact CB-CG 4.16Å; A260-F319 HydrophobicContact CB-CZ 4.1Å; A260-F319 WeakPolarHBondContact O-CD2 3.43Å; Y261-F319 HydrophobicContact CD1-CD2 4.24Å; Y261-F319 HydrophobicContact CD1-CE2 4.12Å; Y261-F319 HydrophobicContact CD2-CD2 4.44Å; Y261-F319 AromaticContact CD2-CE2 3.64Å; Y261-F319 HydrophobicContact CD2-CE2 3.64Å; Y261-F319 HydrophobicContact CE1-CD2 4.45Å; Y261-F319 HydrophobicContact CE1-CE2 4.12Å; Y261-F319 AromaticContact CE2-CE2 3.61Å; Y261-F319 HydrophobicContact CE2-CE2 3.61Å; Y261-F319 HydrophobicContact CE2-CZ 4.23Å; Y261-F319 HydrophobicContact CG-CD2 4.24Å; Y261-F319 AromaticContact CG-CE2 3.89Å; Y261-F319 HydrophobicContact CG-CE2 3.89Å; Y261-F319 AromaticContact CZ-CE2 3.88Å; S263-F319 PolarHBondContact OG-N 3.05Å; Y264-F319 HydrophobicContact CD1-CB 4.49Å; Y264-F319 HydrophobicContact CD1-CD2 4.35Å; N315-F319 HydrophobicContact CB-CD1 4.31Å; N315-F319 HydrophobicContact CB-CE1 3.87Å; F319-Q362 WeakPolarHBondContact O-CB 3.3Å; F319-Y473 HydrophobicContact CZ-CD2 4.43Å
320	Y	98.7	Very high	98.5	Very high	1 Å²	1	4.9 Å²	4.9	0%	0.004	3%	0.026	C	C	.	.	S	Bend	trans	-134.3	129.5	-175.8	-68.8	-83.3	0	0	0	112	E100 H153 S263 Y264 Q325 Q362 C365	E100-Y320 PolarHBondContact OE2-OH 3.29Å; H153-Y320 AromaticContact CE1-CE1 3.91Å; H153-Y320 AromaticContact CE1-CZ 3.62Å; H153-Y320 PolarHBondContact CE1-OH 2.66Å; S263-Y320 WeakPolarHBondContact CB-O 3.21Å; S263-Y320 PolarHBondContact OG-N 3.25Å; S263-Y320 VanDerWaalsContact OG-N 3.11Å; Y264-Y320 AromaticContact CD1-CD2 3.88Å; Y264-Y320 HydrophobicContact CD1-CD2 3.88Å; Y264-Y320 AromaticContact CD1-CE2 3.39Å; Y264-Y320 HydrophobicContact CD1-CE2 3.39Å; Y264-Y320 HydrophobicContact CD2-CD2 4.2Å; Y264-Y320 AromaticContact CD2-CE2 4Å; Y264-Y320 HydrophobicContact CD2-CE2 4Å; Y264-Y320 HydrophobicContact CE1-CD2 4.36Å; Y264-Y320 AromaticContact CE1-CE2 3.43Å; Y264-Y320 HydrophobicContact CE1-CE2 3.43Å; Y264-Y320 VanDerWaalsContact CE1-CE2 3.43Å; Y264-Y320 HydrophobicContact CE2-CE2 4.02Å; Y264-Y320 AromaticContact CG-CD2 3.76Å; Y264-Y320 HydrophobicContact CG-CD2 3.76Å; Y264-Y320 AromaticContact CG-CE2 3.66Å; Y264-Y320 HydrophobicContact CG-CE2 3.66Å; Y264-Y320 AromaticContact CZ-CE2 3.74Å; Y320-Q325 PolarHBondContact O-NE2 2.8Å; Y320-Q362 HydrophobicContact CE1-CB 4.16Å; Y320-Q362 HydrophobicContact CE1-CG 4.1Å; Y320-Q362 HydrophobicContact CE2-CG 4.48Å; Y320-C365 HydrophobicContact CD1-CB 3.72Å; Y320-C365 HydrophobicContact CE1-CB 3.76Å
321	G	98.3	Very high	98.5	Very high	11 Å²	11	6 Å²	6	11%	0.113	3%	0.03	C	C	.	.			trans	73.6	-123.8	-177.1	0	0	0	0	0	112.2	E323 R350 T366	G321-E323 VanDerWaalsContact O-OE2 3.08Å; G321-R350 PolarHBondContact O-NH1 3.43Å; G321-R350 PolarHBondContact O-NH2 3.24Å; G321-T366 WeakPolarHBondContact CA-OG1 3.4Å; G321-T366 PolarHBondContact N-OG1 2.96Å
322	P	98.7	Very high	98.5	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.031	C	C	.	.	S	Bend	cis	-90.2	7.7	4.5	39.4	-39.7	0	0	0	113.6	M297 W318 S324 Q325 L326 I346	M297-P322 HydrophobicContact SD-CB 4.27Å; W318-P322 HydrophobicContact CD2-CB 4.25Å; W318-P322 VanDerWaalsContact CD2-CD 3.43Å; W318-P322 HydrophobicContact CD2-CG 3.51Å; W318-P322 VanDerWaalsContact CE3-CD 3.42Å; W318-P322 HydrophobicContact CE3-CG 3.89Å; W318-P322 HydrophobicContact CG-CB 4.04Å; W318-P322 HydrophobicContact CG-CG 3.83Å; W318-P322 HydrophobicContact CH2-CG 4.43Å; W318-P322 HydrophobicContact CZ2-CG 4.06Å; W318-P322 HydrophobicContact CZ3-CG 4.34Å; P322-S324 VanDerWaalsContact C-N 3.28Å; P322-S324 PolarHBondContact O-N 2.85Å; P322-Q325 VanDerWaalsContact CA-OE1 3.29Å; P322-Q325 PolarHBondContact O-N 3.36Å; P322-Q325 VanDerWaalsContact O-N 3.08Å; P322-Q325 PolarHBondContact O-OE1 2.65Å; P322-L326 HydrophobicContact CB-CD1 4.43Å; P322-L326 HydrophobicContact CG-CD1 4.11Å; P322-L326 WeakPolarHBondContact O-CG 3.28Å; P322-L326 PolarHBondContact O-N 2.81Å; P322-I346 HydrophobicContact CG-CD1 3.72Å; P322-I346 HydrophobicContact CG-CG2 4.48Å
323	E	98.9	Very high	98.4	Very high	4 Å²	4	8 Å²	8	2%	0.019	4%	0.041	C	C	.	.	H	α-helix	trans	-55.3	-43.8	-175.2	-67.4	90.3	159.2	0	0	111.9	G321 Q325 L326 V327 A343 R347 R350 E370	G321-E323 VanDerWaalsContact O-OE2 3.08Å; E323-Q325 VanDerWaalsContact C-N 3.34Å; E323-Q325 PolarHBondContact O-N 2.89Å; E323-L326 PolarHBondContact O-N 3.34Å; E323-V327 WeakPolarHBondContact O-CG1 3.5Å; E323-V327 WeakPolarHBondContact O-CG2 3.27Å; E323-V327 PolarHBondContact O-N 3.2Å; E323-A343 HydrophobicContact CB-CB 3.97Å; E323-A343 HydrophobicContact CG-CB 3.93Å; E323-R347 HydrophobicContact CG-CB 4.33Å; E323-R350 IonicContact OE1-CZ 2.71Å; E323-R350 IonicContact OE1-NE 3.6Å; E323-R350 PolarHBondContact OE1-NE 3.16Å; E323-R350 IonicContact OE1-NH1 2.65Å; E323-R350 IonicContact OE1-NH2 3.33Å; E323-R350 PolarHBondContact OE1-NH2 3.19Å; E323-R350 IonicContact OE2-CZ 2.62Å; E323-R350 IonicContact OE2-NH1 3.17Å; E323-R350 IonicContact OE2-NH2 3.94Å; E323-R350 PolarHBondContact OE2-NH2 3.01Å; E323-E370 VanDerWaalsContact CB-CD 3.43Å; E323-E370 HydrophobicContact CB-CG 4.03Å
324	S	98.9	Very high	98.4	Very high	2 Å²	2	10 Å²	10	1%	0.014	5%	0.051	C	C	.	.	H	α-helix	trans	-55.8	-46.4	176.1	-177	0	0	0	0	112.6	P322 V327 F328 T369 E370 W373	P322-S324 VanDerWaalsContact C-N 3.28Å; P322-S324 PolarHBondContact O-N 2.85Å; S324-V327 WeakPolarHBondContact O-CG2 3.47Å; S324-F328 VanDerWaalsContact O-CB 3.28Å; S324-F328 WeakPolarHBondContact O-CB 3.44Å; S324-F328 PolarHBondContact O-N 2.98Å; S324-T369 WeakPolarHBondContact OG-CB 3.28Å; S324-T369 PolarHBondContact OG-OG1 2.78Å; S324-E370 PolarHBondContact OG-N 2.94Å; S324-W373 WeakPolarHBondContact OG-CZ3 3.38Å
325	Q	98.9	Very high	98.4	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-66.7	-38.5	178	-63.8	94.5	-44.7	0	0	111.8	S263 F270 Y320 P322 E323 F328 L329	S263-Q325 PolarHBondContact O-NE2 3.38Å; F270-Q325 HydrophobicContact CD2-CB 3.96Å; F270-Q325 HydrophobicContact CD2-CG 3.97Å; F270-Q325 HydrophobicContact CE2-CB 3.7Å; F270-Q325 HydrophobicContact CE2-CG 4.07Å; Y320-Q325 PolarHBondContact O-NE2 2.8Å; P322-Q325 VanDerWaalsContact CA-OE1 3.29Å; P322-Q325 PolarHBondContact O-N 3.36Å; P322-Q325 VanDerWaalsContact O-N 3.08Å; P322-Q325 PolarHBondContact O-OE1 2.65Å; E323-Q325 VanDerWaalsContact C-N 3.34Å; E323-Q325 PolarHBondContact O-N 2.89Å; Q325-F328 WeakPolarHBondContact O-CB 3.27Å; Q325-F328 PolarHBondContact O-N 3.45Å; Q325-L329 WeakPolarHBondContact O-CG 3.32Å; Q325-L329 PolarHBondContact O-N 3.45Å
326	L	98.9	Very high	98.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-69.3	-44.4	-179.5	-72.7	168.5	0	0	0	112.7	F294 M297 P322 E323 F328 L329 D330 L342 A343 I346	F294-L326 HydrophobicContact CD2-CD2 4.16Å; F294-L326 HydrophobicContact CE2-CD2 4.25Å; M297-L326 HydrophobicContact CB-CD2 3.98Å; M297-L326 HydrophobicContact CG-CD2 4.32Å; P322-L326 HydrophobicContact CB-CD1 4.43Å; P322-L326 HydrophobicContact CG-CD1 4.11Å; P322-L326 WeakPolarHBondContact O-CG 3.28Å; P322-L326 PolarHBondContact O-N 2.81Å; E323-L326 PolarHBondContact O-N 3.34Å; L326-F328 VanDerWaalsContact C-N 3.29Å; L326-F328 PolarHBondContact O-N 2.94Å; L326-L329 PolarHBondContact O-N 3.45Å; L326-D330 PolarHBondContact O-N 3.3Å; L326-L342 HydrophobicContact CD1-CB 4.11Å; L326-L342 HydrophobicContact CD1-CD2 4.14Å; L326-L342 HydrophobicContact CD1-CG 3.83Å; L326-L342 HydrophobicContact CD2-CB 4.4Å; L326-L342 HydrophobicContact CD2-CD2 3.79Å; L326-L342 HydrophobicContact CD2-CG 4.29Å; L326-A343 HydrophobicContact CB-CB 4.06Å; L326-A343 HydrophobicContact CD1-CB 4.19Å; L326-I346 HydrophobicContact CD1-CD1 3.79Å
327	V	98.9	Very high	98.4	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-70	-30	176.4	-55.5	0	0	0	0	111.5	E323 S324 D330 K331 N340 A343 E370 W373 Y374	E323-V327 WeakPolarHBondContact O-CG1 3.5Å; E323-V327 WeakPolarHBondContact O-CG2 3.27Å; E323-V327 PolarHBondContact O-N 3.2Å; S324-V327 WeakPolarHBondContact O-CG2 3.47Å; V327-D330 PolarHBondContact O-N 2.95Å; V327-K331 WeakPolarHBondContact O-CB 3.5Å; V327-K331 PolarHBondContact O-N 3.11Å; V327-N340 WeakPolarHBondContact CG1-OD1 3.41Å; V327-A343 HydrophobicContact CG1-CB 4.05Å; V327-E370 HydrophobicContact CG2-CG 4.28Å; V327-W373 HydrophobicContact CG2-CB 4.12Å; V327-Y374 HydrophobicContact CB-CD2 4.23Å; V327-Y374 HydrophobicContact CG1-CD2 3.81Å
328	F	98.9	Very high	98.4	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-61.5	-49.9	169.5	176.6	-83	0	0	0	111.6	F270 M273 F274 F285 L290 S324 Q325 L326 D330 K331 F332 W373	F270-F328 HydrophobicContact CB-CD1 4.05Å; F270-F328 HydrophobicContact CB-CD2 4.03Å; F270-F328 HydrophobicContact CB-CE1 3.9Å; F270-F328 HydrophobicContact CB-CE2 3.88Å; F270-F328 HydrophobicContact CB-CG 4.11Å; F270-F328 HydrophobicContact CB-CZ 3.79Å; F270-F328 HydrophobicContact CD1-CD1 4.23Å; F270-F328 AromaticContact CD1-CE1 3.84Å; F270-F328 HydrophobicContact CD1-CE1 3.84Å; F270-F328 HydrophobicContact CD1-CZ 4.36Å; F270-F328 HydrophobicContact CD2-CB 4.04Å; F270-F328 AromaticContact CD2-CD1 3.29Å; F270-F328 HydrophobicContact CD2-CD1 3.29Å; F270-F328 HydrophobicContact CD2-CD2 4.43Å; F270-F328 AromaticContact CD2-CE1 3.77Å; F270-F328 HydrophobicContact CD2-CE1 3.77Å; F270-F328 AromaticContact CD2-CG 3.68Å; F270-F328 HydrophobicContact CD2-CG 3.68Å; F270-F328 HydrophobicContact CD2-CZ 4.49Å; F270-F328 HydrophobicContact CE1-CE1 4.3Å; F270-F328 AromaticContact CE2-CD1 3.66Å; F270-F328 HydrophobicContact CE2-CD1 3.66Å; F270-F328 HydrophobicContact CE2-CE1 4.21Å; F270-F328 HydrophobicContact CE2-CG 4.35Å; F270-F328 AromaticContact CG-CD1 3.61Å; F270-F328 HydrophobicContact CG-CD1 3.61Å; F270-F328 HydrophobicContact CG-CD2 4.48Å; F270-F328 AromaticContact CG-CE1 3.57Å; F270-F328 HydrophobicContact CG-CE1 3.57Å; F270-F328 HydrophobicContact CG-CE2 4.44Å; F270-F328 HydrophobicContact CG-CG 4.09Å; F270-F328 AromaticContact CG-CZ 3.99Å; F270-F328 HydrophobicContact CG-CZ 3.99Å; F270-F328 HydrophobicContact CZ-CD1 4.28Å; F270-F328 HydrophobicContact CZ-CE1 4.46Å; M273-F328 HydrophobicContact CB-CZ 4.38Å; F274-F328 HydrophobicContact CB-CE2 4.23Å; F285-F328 HydrophobicContact CD1-CZ 4.39Å; F285-F328 HydrophobicContact CE1-CE1 4.07Å; F285-F328 HydrophobicContact CE1-CE2 4.06Å; F285-F328 AromaticContact CE1-CZ 3.43Å; F285-F328 HydrophobicContact CE1-CZ 3.43Å; F285-F328 VanDerWaalsContact CE1-CZ 3.43Å; F285-F328 HydrophobicContact CZ-CZ 4.08Å; L290-F328 HydrophobicContact CD1-CE1 4.49Å; S324-F328 VanDerWaalsContact O-CB 3.28Å; S324-F328 WeakPolarHBondContact O-CB 3.44Å; S324-F328 PolarHBondContact O-N 2.98Å; Q325-F328 WeakPolarHBondContact O-CB 3.27Å; Q325-F328 PolarHBondContact O-N 3.45Å; L326-F328 VanDerWaalsContact C-N 3.29Å; L326-F328 PolarHBondContact O-N 2.94Å; F328-D330 VanDerWaalsContact C-N 3.28Å; F328-D330 PolarHBondContact O-N 2.64Å; F328-K331 PolarHBondContact O-N 3.25Å; F328-F332 HydrophobicContact CB-CD2 4.45Å; F328-F332 HydrophobicContact CD1-CD2 4.29Å; F328-F332 AromaticContact CD2-CD2 3.43Å; F328-F332 HydrophobicContact CD2-CD2 3.43Å; F328-F332 VanDerWaalsContact CD2-CD2 3.43Å; F328-F332 AromaticContact CD2-CE2 3.59Å; F328-F332 HydrophobicContact CD2-CE2 3.59Å; F328-F332 HydrophobicContact CE1-CD2 4.45Å; F328-F332 AromaticContact CE2-CD2 3.63Å; F328-F332 HydrophobicContact CE2-CD2 3.63Å; F328-F332 AromaticContact CE2-CE2 3.9Å; F328-F332 HydrophobicContact CE2-CE2 3.9Å; F328-F332 AromaticContact CG-CD2 3.8Å; F328-F332 HydrophobicContact CG-CD2 3.8Å; F328-F332 HydrophobicContact CG-CE2 4.28Å; F328-F332 HydrophobicContact CZ-CD2 4.16Å; F328-F332 WeakPolarHBondContact O-CB 3.48Å; F328-F332 VanDerWaalsContact O-CD2 3.28Å; F328-F332 WeakPolarHBondContact O-CD2 3.48Å; F328-F332 PolarHBondContact O-N 3.21Å; F328-W373 HydrophobicContact CB-CB 4.39Å; F328-W373 HydrophobicContact CB-CD2 4.28Å; F328-W373 HydrophobicContact CB-CE3 3.78Å; F328-W373 HydrophobicContact CB-CZ3 4.34Å; F328-W373 AromaticContact CD2-CD2 3.68Å; F328-W373 HydrophobicContact CD2-CD2 3.68Å; F328-W373 AromaticContact CD2-CE2 3.93Å; F328-W373 AromaticContact CD2-CE3 3.7Å; F328-W373 HydrophobicContact CD2-CE3 3.7Å; F328-W373 HydrophobicContact CD2-CG 4.16Å; F328-W373 HydrophobicContact CD2-CH2 4.16Å; F328-W373 HydrophobicContact CD2-CZ2 4.18Å; F328-W373 AromaticContact CD2-CZ3 3.94Å; F328-W373 HydrophobicContact CD2-CZ3 3.94Å; F328-W373 HydrophobicContact CE2-CZ2 4.41Å; F328-W373 HydrophobicContact CG-CD2 4.47Å; F328-W373 HydrophobicContact CG-CE3 4.17Å; F328-W373 HydrophobicContact CG-CZ3 4.44Å
329	L	98.8	Very high	98.4	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.005	8%	0.08	C	C	.	.	H	α-helix	trans	-59.5	-41.1	176.3	-72.5	175.8	0	0	0	111.2	F270 L290 H293 F294 Q325 L326 V333 M334	F270-L329 HydrophobicContact CE2-CD2 4.22Å; F270-L329 HydrophobicContact CE2-CG 4.09Å; F270-L329 HydrophobicContact CZ-CD2 3.91Å; F270-L329 HydrophobicContact CZ-CG 4.23Å; L290-L329 HydrophobicContact CD1-CD2 3.63Å; L290-L329 HydrophobicContact CG-CD2 4.21Å; H293-L329 HydrophobicContact CB-CD2 4.47Å; F294-L329 HydrophobicContact CB-CD1 4.24Å; Q325-L329 WeakPolarHBondContact O-CG 3.32Å; Q325-L329 PolarHBondContact O-N 3.45Å; L326-L329 PolarHBondContact O-N 3.45Å; L329-V333 HydrophobicContact CD2-CG2 4.05Å; L329-V333 CarbonylContact O-C 3.51Å; L329-V333 VanDerWaalsContact O-CA 3.31Å; L329-V333 WeakPolarHBondContact O-CA 3.34Å; L329-V333 WeakPolarHBondContact O-CB 3.44Å; L329-V333 PolarHBondContact O-N 3Å; L329-M334 HydrophobicContact CB-CE 3.98Å; L329-M334 PolarHBondContact O-N 3.15Å
330	D	98.1	Very high	98.5	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.077	C	C	.	.	I	π-helix	trans	-66.4	-50	179.8	-145.1	-13.8	0	0	0	111.4	L326 V327 F328 F332 M334 R335 N336 G337 S338 G339 N340 L378	L326-D330 PolarHBondContact O-N 3.3Å; V327-D330 PolarHBondContact O-N 2.95Å; F328-D330 VanDerWaalsContact C-N 3.28Å; F328-D330 PolarHBondContact O-N 2.64Å; D330-F332 PolarHBondContact O-N 3.33Å; D330-M334 HydrophobicContact CB-CE 4.26Å; D330-R335 WeakPolarHBondContact O-CA 3.43Å; D330-R335 VanDerWaalsContact O-CG 3.3Å; D330-R335 WeakPolarHBondContact O-CG 3.4Å; D330-R335 PolarHBondContact O-N 3.05Å; D330-R335 PolarHBondContact OD1-N 3.3Å; D330-N336 PolarHBondContact OD1-N 3.5Å; D330-G337 PolarHBondContact OD1-N 2.82Å; D330-G337 WeakPolarHBondContact OD2-CA 3.38Å; D330-G337 PolarHBondContact OD2-N 2.86Å; D330-S338 PolarHBondContact OD2-N 2.93Å; D330-G339 WeakPolarHBondContact OD2-CA 3.24Å; D330-G339 PolarHBondContact OD2-N 3.49Å; D330-N340 WeakPolarHBondContact OD2-CB 3.44Å; D330-N340 PolarHBondContact OD2-N 3.32Å; D330-L378 HydrophobicContact CB-CD1 4.36Å
331	K	98.3	Very high	98.5	Very high	31 Å²	31	16.1 Å²	16.1	14%	0.135	8%	0.08	C	C	.	.	I	π-helix	trans	-64.2	-41	-178.2	-176.3	171	-179.2	169.8	0	113	V327 F328 R335 L372 W373 D375	V327-K331 WeakPolarHBondContact O-CB 3.5Å; V327-K331 PolarHBondContact O-N 3.11Å; F328-K331 PolarHBondContact O-N 3.25Å; K331-R335 PolarHBondContact O-NH1 2.9Å; K331-L372 PolarHBondContact NZ-O 3.36Å; K331-L372 VanDerWaalsContact NZ-O 3.08Å; K331-W373 WeakPolarHBondContact CB-O 3.32Å; K331-W373 WeakPolarHBondContact CD-O 3.48Å; K331-D375 HydrophobicContact CB-CB 4.11Å; K331-D375 HydrophobicContact CD-CB 4.01Å; K331-D375 HydrophobicContact CG-CB 3.92Å
332	F	97.9	Very high	98.5	Very high	7 Å²	7	15.6 Å²	15.6	3%	0.031	7%	0.074	C	C	.	.	I	π-helix	trans	-108.9	-7.3	-168.3	-54.7	-61.8	0	0	0	114.9	I33 F274 F285 F328 D330 W373	I33-F332 HydrophobicContact CD1-CD1 3.83Å; I33-F332 HydrophobicContact CD1-CE1 3.67Å; I33-F332 HydrophobicContact CD1-CE2 4.4Å; I33-F332 HydrophobicContact CD1-CG 4.27Å; I33-F332 HydrophobicContact CD1-CZ 3.96Å; I33-F332 HydrophobicContact CG1-CD1 3.68Å; I33-F332 HydrophobicContact CG1-CE1 3.27Å; I33-F332 HydrophobicContact CG1-CZ 3.89Å; F274-F332 HydrophobicContact CD2-CE2 4.18Å; F274-F332 HydrophobicContact CD2-CZ 4Å; F274-F332 AromaticContact CE2-CZ 3.93Å; F274-F332 HydrophobicContact CE2-CZ 3.93Å; F285-F332 HydrophobicContact CD1-CB 3.52Å; F285-F332 HydrophobicContact CD1-CG 4.31Å; F285-F332 HydrophobicContact CE1-CB 3.61Å; F285-F332 HydrophobicContact CE1-CD2 4.26Å; F285-F332 AromaticContact CE1-CG 3.93Å; F285-F332 HydrophobicContact CE1-CG 3.93Å; F328-F332 HydrophobicContact CB-CD2 4.45Å; F328-F332 HydrophobicContact CD1-CD2 4.29Å; F328-F332 AromaticContact CD2-CD2 3.43Å; F328-F332 HydrophobicContact CD2-CD2 3.43Å; F328-F332 VanDerWaalsContact CD2-CD2 3.43Å; F328-F332 AromaticContact CD2-CE2 3.59Å; F328-F332 HydrophobicContact CD2-CE2 3.59Å; F328-F332 HydrophobicContact CE1-CD2 4.45Å; F328-F332 AromaticContact CE2-CD2 3.63Å; F328-F332 HydrophobicContact CE2-CD2 3.63Å; F328-F332 AromaticContact CE2-CE2 3.9Å; F328-F332 HydrophobicContact CE2-CE2 3.9Å; F328-F332 AromaticContact CG-CD2 3.8Å; F328-F332 HydrophobicContact CG-CD2 3.8Å; F328-F332 HydrophobicContact CG-CE2 4.28Å; F328-F332 HydrophobicContact CZ-CD2 4.16Å; F328-F332 WeakPolarHBondContact O-CB 3.48Å; F328-F332 VanDerWaalsContact O-CD2 3.28Å; F328-F332 WeakPolarHBondContact O-CD2 3.48Å; F328-F332 PolarHBondContact O-N 3.21Å; D330-F332 PolarHBondContact O-N 3.33Å; F332-W373 HydrophobicContact CE2-CB 4.26Å; F332-W373 AromaticContact CE2-CD1 3.86Å; F332-W373 HydrophobicContact CE2-CG 4.05Å
333	V	97.5	Very high	98.5	Very high	34 Å²	34	15.6 Å²	15.6	21%	0.206	7%	0.074	C	C	.	.	I	π-helix	trans	-132.6	-61.6	-173.6	-167.6	0	0	0	0	112.2	L290 K291 L329	L290-V333 HydrophobicContact CD1-CG2 4.45Å; L290-V333 HydrophobicContact CD2-CG2 3.64Å; L290-V333 HydrophobicContact CG-CG2 3.79Å; K291-V333 HydrophobicContact CG-CG1 3.97Å; L329-V333 HydrophobicContact CD2-CG2 4.05Å; L329-V333 CarbonylContact O-C 3.51Å; L329-V333 VanDerWaalsContact O-CA 3.31Å; L329-V333 WeakPolarHBondContact O-CA 3.34Å; L329-V333 WeakPolarHBondContact O-CB 3.44Å; L329-V333 PolarHBondContact O-N 3Å
334	M	97.6	Very high	98.5	Very high	42 Å²	42	19.3 Å²	19.3	21%	0.207	9%	0.092	C	C	.	.	I	π-helix	trans	-86.9	-41.4	-169.6	-57.3	-175.3	-63.7	0	0	113.1	F294 L329 D330 N336	F294-M334 HydrophobicContact CB-CE 4.37Å; F294-M334 HydrophobicContact CB-SD 3.47Å; F294-M334 WeakPolarHBondContact CB-SD 3.25Å; F294-M334 HydrophobicContact CD1-SD 3.97Å; F294-M334 HydrophobicContact CD2-CE 3.58Å; F294-M334 HydrophobicContact CD2-SD 3.63Å; F294-M334 HydrophobicContact CE2-CE 4.05Å; F294-M334 HydrophobicContact CE2-SD 4.35Å; F294-M334 HydrophobicContact CG-CE 4.03Å; F294-M334 HydrophobicContact CG-SD 3.4Å; F294-M334 WeakPolarHBondContact CG-SD 3.28Å; L329-M334 HydrophobicContact CB-CE 3.98Å; L329-M334 PolarHBondContact O-N 3.15Å; D330-M334 HydrophobicContact CB-CE 4.26Å; M334-N336 PolarHBondContact O-N 3.06Å
335	R	97.6	Very high	98.5	Very high	96 Å²	96	20.3 Å²	20.3	36%	0.362	10%	0.096	S	C	.	.			trans	49.9	42.1	178.2	-57	-171.6	60.5	70.8	6.1	113.7	M32 D330 K331 D375 L378	M32-R335 PolarHBondContact SD-NH1 3.44Å; M32-R335 PolarHBondContact SD-NH2 3.38Å; D330-R335 WeakPolarHBondContact O-CA 3.43Å; D330-R335 VanDerWaalsContact O-CG 3.3Å; D330-R335 WeakPolarHBondContact O-CG 3.4Å; D330-R335 PolarHBondContact O-N 3.05Å; D330-R335 PolarHBondContact OD1-N 3.3Å; K331-R335 PolarHBondContact O-NH1 2.9Å; R335-D375 IonicContact NH1-OD2 3.68Å; R335-L378 HydrophobicContact CB-CD1 4.48Å; R335-L378 HydrophobicContact CB-CD2 4.4Å
336	N	97.9	Very high	98.5	Very high	84 Å²	84	20.4 Å²	20.4	45%	0.449	10%	0.096	S	C	.	.	S	Bend	trans	-130.9	-4.4	-173.3	69.6	6.1	0	0	0	114.1	D330 M334 S338	D330-N336 PolarHBondContact OD1-N 3.5Å; M334-N336 PolarHBondContact O-N 3.06Å; N336-S338 WeakPolarHBondContact OD1-CB 3.44Å; N336-S338 PolarHBondContact OD1-N 2.98Å
337	G	98.6	Very high	98.4	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.104	C	C	.	.	S	Bend	trans	92.7	-8.3	177.4	0	0	0	0	0	115.2	D330 W341 H379 V381	D330-G337 PolarHBondContact OD1-N 2.82Å; D330-G337 WeakPolarHBondContact OD2-CA 3.38Å; D330-G337 PolarHBondContact OD2-N 2.86Å; G337-W341 WeakPolarHBondContact O-CB 3.44Å; G337-W341 PolarHBondContact O-N 3.18Å; G337-H379 WeakPolarHBondContact CA-O 3.23Å; G337-V381 CarbonylContact C-O 3.46Å; G337-V381 PolarHBondContact O-N 3.39Å; G337-V381 VanDerWaalsContact O-N 3.08Å
338	S	98.8	Very high	98.4	Very high	6 Å²	6	31.4 Å²	31.4	4%	0.042	14%	0.138	C	C	.	.	H	α-helix	trans	-76.9	-27.3	-176.7	-65.3	0	0	0	0	114.2	D330 N336 L342 V381	D330-S338 PolarHBondContact OD2-N 2.93Å; N336-S338 WeakPolarHBondContact OD1-CB 3.44Å; N336-S338 PolarHBondContact OD1-N 2.98Å; S338-L342 PolarHBondContact O-N 3.44Å; S338-V381 WeakPolarHBondContact CA-O 3.31Å; S338-V381 PolarHBondContact N-O 2.88Å; S338-V381 PolarHBondContact OG-O 3.47Å
339	G	98.8	Very high	98.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-70.2	-45.9	172.1	0	0	0	0	0	110.7	D330 W341 L342 A343	D330-G339 WeakPolarHBondContact OD2-CA 3.24Å; D330-G339 PolarHBondContact OD2-N 3.49Å; G339-W341 VanDerWaalsContact C-N 3.3Å; G339-W341 PolarHBondContact O-N 3Å; G339-L342 PolarHBondContact O-N 3.27Å; G339-A343 WeakPolarHBondContact O-CB 3.14Å; G339-A343 PolarHBondContact O-N 3.4Å
340	N	98.8	Very high	98.3	Very high	6 Å²	6	37.6 Å²	37.6	3%	0.032	16%	0.164	C	C	.	.	H	α-helix	trans	-58.3	-43.3	173.8	-72.8	-7.5	0	0	0	111.6	V327 D330 A343 E344 Y374 D375 L378	V327-N340 WeakPolarHBondContact CG1-OD1 3.41Å; D330-N340 WeakPolarHBondContact OD2-CB 3.44Å; D330-N340 PolarHBondContact OD2-N 3.32Å; N340-A343 PolarHBondContact O-N 3.22Å; N340-E344 WeakPolarHBondContact O-CB 3.4Å; N340-E344 PolarHBondContact O-N 2.96Å; N340-Y374 HydrophobicContact CB-CE2 4.16Å; N340-Y374 WeakPolarHBondContact ND2-CE2 3.2Å; N340-D375 PolarHBondContact ND2-O 3.4Å; N340-D375 VanDerWaalsContact ND2-O 3.15Å; N340-L378 PolarHBondContact ND2-O 3.4Å
341	W	98.9	Very high	98.2	Very high	14 Å²	14	38.9 Å²	38.9	5%	0.053	17%	0.171	C	C	.	.	H	α-helix	trans	-62.4	-47.1	176.7	173	86.5	0	0	0	113.1	Y298 F305 G337 G339 A343 E344 Q345 S380 P382 P383 Y386	Y298-W341 HydrophobicContact CD2-CZ3 4.36Å; Y298-W341 HydrophobicContact CE2-CH2 4.33Å; Y298-W341 AromaticContact CE2-CZ3 3.88Å; Y298-W341 HydrophobicContact CE2-CZ3 3.88Å; F305-W341 AromaticContact CE1-CH2 3.92Å; F305-W341 HydrophobicContact CE1-CH2 3.92Å; F305-W341 HydrophobicContact CE1-CZ3 4.42Å; F305-W341 AromaticContact CZ-CH2 3.84Å; F305-W341 HydrophobicContact CZ-CH2 3.84Å; F305-W341 HydrophobicContact CZ-CZ2 4.25Å; G337-W341 WeakPolarHBondContact O-CB 3.44Å; G337-W341 PolarHBondContact O-N 3.18Å; G339-W341 VanDerWaalsContact C-N 3.3Å; G339-W341 PolarHBondContact O-N 3Å; W341-A343 VanDerWaalsContact C-N 3.32Å; W341-A343 PolarHBondContact O-N 3.18Å; W341-E344 WeakPolarHBondContact O-CB 3.18Å; W341-E344 PolarHBondContact O-N 3.43Å; W341-Q345 HydrophobicContact CD2-CG 4.04Å; W341-Q345 HydrophobicContact CE3-CG 4.44Å; W341-Q345 HydrophobicContact CH2-CG 4.04Å; W341-Q345 HydrophobicContact CZ2-CG 3.6Å; W341-Q345 HydrophobicContact CZ3-CG 4.44Å; W341-Q345 WeakPolarHBondContact O-CG 3.46Å; W341-Q345 PolarHBondContact O-N 3.39Å; W341-S380 WeakPolarHBondContact CA-OG 3.3Å; W341-S380 WeakPolarHBondContact CB-OG 3.37Å; W341-P382 HydrophobicContact CD2-CB 3.87Å; W341-P382 HydrophobicContact CE3-CB 4.45Å; W341-P382 HydrophobicContact CG-CB 4.21Å; W341-P382 HydrophobicContact CH2-CB 4.46Å; W341-P382 HydrophobicContact CZ2-CB 3.88Å; W341-P383 VanDerWaalsContact CE3-CD 3.47Å; W341-P383 HydrophobicContact CE3-CG 4.49Å; W341-P383 HydrophobicContact CZ3-CG 4.38Å; W341-Y386 AromaticContact CH2-CD2 3.4Å; W341-Y386 HydrophobicContact CH2-CD2 3.4Å; W341-Y386 AromaticContact CH2-CE2 3.68Å; W341-Y386 HydrophobicContact CH2-CE2 3.68Å; W341-Y386 AromaticContact CH2-CG 3.86Å; W341-Y386 HydrophobicContact CH2-CG 3.86Å; W341-Y386 AromaticContact CZ2-CD1 3.97Å; W341-Y386 HydrophobicContact CZ2-CD1 3.97Å; W341-Y386 AromaticContact CZ2-CD2 3.62Å; W341-Y386 HydrophobicContact CZ2-CD2 3.62Å; W341-Y386 AromaticContact CZ2-CE1 3.96Å; W341-Y386 HydrophobicContact CZ2-CE1 3.96Å; W341-Y386 AromaticContact CZ2-CE2 3.64Å; W341-Y386 HydrophobicContact CZ2-CE2 3.64Å; W341-Y386 AromaticContact CZ2-CG 3.78Å; W341-Y386 HydrophobicContact CZ2-CG 3.78Å; W341-Y386 AromaticContact CZ2-CZ 3.77Å
342	L	98.9	Very high	98	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-66.6	-38.1	-179.7	-176.5	56.9	0	0	0	111.2	F294 M297 Y298 F305 L326 S338 G339 E344 Q345 I346	F294-L342 HydrophobicContact CE2-CB 4.31Å; F294-L342 HydrophobicContact CE2-CD2 3.94Å; F294-L342 HydrophobicContact CZ-CD2 4.34Å; M297-L342 HydrophobicContact CB-CD2 4.4Å; Y298-L342 HydrophobicContact CD2-CD2 4.23Å; F305-L342 HydrophobicContact CD1-CD1 3.92Å; F305-L342 HydrophobicContact CE1-CD1 3.92Å; L326-L342 HydrophobicContact CD1-CB 4.11Å; L326-L342 HydrophobicContact CD1-CD2 4.14Å; L326-L342 HydrophobicContact CD1-CG 3.83Å; L326-L342 HydrophobicContact CD2-CB 4.4Å; L326-L342 HydrophobicContact CD2-CD2 3.79Å; L326-L342 HydrophobicContact CD2-CG 4.29Å; S338-L342 PolarHBondContact O-N 3.44Å; G339-L342 PolarHBondContact O-N 3.27Å; L342-E344 VanDerWaalsContact C-N 3.31Å; L342-E344 PolarHBondContact O-N 3.32Å; L342-Q345 PolarHBondContact O-N 3.47Å; L342-I346 HydrophobicContact CD1-CD1 4.08Å; L342-I346 HydrophobicContact CD1-CG1 4.27Å; L342-I346 HydrophobicContact CG-CD1 3.92Å; L342-I346 WeakPolarHBondContact O-CG1 3.3Å; L342-I346 PolarHBondContact O-N 3.05Å
343	A	98.9	Very high	97.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-59.6	-42.9	173.4	0	0	0	0	0	111.4	E323 L326 V327 G339 N340 W341 I346 R347	E323-A343 HydrophobicContact CB-CB 3.97Å; E323-A343 HydrophobicContact CG-CB 3.93Å; L326-A343 HydrophobicContact CB-CB 4.06Å; L326-A343 HydrophobicContact CD1-CB 4.19Å; V327-A343 HydrophobicContact CG1-CB 4.05Å; G339-A343 WeakPolarHBondContact O-CB 3.14Å; G339-A343 PolarHBondContact O-N 3.4Å; N340-A343 PolarHBondContact O-N 3.22Å; W341-A343 VanDerWaalsContact C-N 3.32Å; W341-A343 PolarHBondContact O-N 3.18Å; A343-I346 PolarHBondContact O-N 3.46Å; A343-R347 VanDerWaalsContact O-CB 3.24Å; A343-R347 WeakPolarHBondContact O-CB 3.43Å; A343-R347 PolarHBondContact O-N 3.41Å
344	E	98.6	Very high	97.7	Very high	82 Å²	82	52.5 Å²	52.5	38%	0.383	25%	0.253	S	S	.	.	H	α-helix	trans	-63	-45	175.5	-173.8	-175.6	172.3	0	0	112.4	N340 W341 L342 I346 R347 R348 S380	N340-E344 WeakPolarHBondContact O-CB 3.4Å; N340-E344 PolarHBondContact O-N 2.96Å; W341-E344 WeakPolarHBondContact O-CB 3.18Å; W341-E344 PolarHBondContact O-N 3.43Å; L342-E344 VanDerWaalsContact C-N 3.31Å; L342-E344 PolarHBondContact O-N 3.32Å; E344-I346 PolarHBondContact O-N 2.9Å; E344-R347 PolarHBondContact O-N 3.4Å; E344-R348 VanDerWaalsContact O-CB 3.27Å; E344-R348 WeakPolarHBondContact O-CB 3.29Å; E344-R348 PolarHBondContact O-N 3.24Å; E344-S380 WeakPolarHBondContact OE2-CB 3.32Å; E344-S380 PolarHBondContact OE2-OG 3.42Å
345	Q	98.8	Very high	97.6	Very high	23 Å²	23	53.7 Å²	53.7	11%	0.107	26%	0.264	C	S	.	.	H	α-helix	trans	-60	-47.5	177.5	-65.5	-46.6	-55.5	0	0	111.4	F305 W341 L342 R348 H349	F305-Q345 HydrophobicContact CB-CB 4.35Å; F305-Q345 HydrophobicContact CD1-CB 3.71Å; F305-Q345 HydrophobicContact CD1-CG 4.4Å; F305-Q345 HydrophobicContact CD2-CB 4.12Å; F305-Q345 HydrophobicContact CE1-CB 3.93Å; F305-Q345 HydrophobicContact CE1-CG 4.11Å; F305-Q345 HydrophobicContact CE2-CB 4.33Å; F305-Q345 HydrophobicContact CE2-CG 4.34Å; F305-Q345 HydrophobicContact CG-CB 3.8Å; F305-Q345 HydrophobicContact CZ-CB 4.22Å; F305-Q345 HydrophobicContact CZ-CG 4.07Å; W341-Q345 HydrophobicContact CD2-CG 4.04Å; W341-Q345 HydrophobicContact CE3-CG 4.44Å; W341-Q345 HydrophobicContact CH2-CG 4.04Å; W341-Q345 HydrophobicContact CZ2-CG 3.6Å; W341-Q345 HydrophobicContact CZ3-CG 4.44Å; W341-Q345 WeakPolarHBondContact O-CG 3.46Å; W341-Q345 PolarHBondContact O-N 3.39Å; L342-Q345 PolarHBondContact O-N 3.47Å; Q345-R348 PolarHBondContact O-N 3.33Å; Q345-H349 PolarHBondContact O-N 3.31Å; Q345-H349 VanDerWaalsContact O-N 3.14Å; Q345-H349 PolarHBondContact O-ND1 3.37Å
346	I	98.8	Very high	97.4	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	25%	0.25	C	C	.	.	H	α-helix	trans	-64.2	-46.3	-179.7	-68.1	167.6	0	0	0	110.7	F305 W318 P322 L326 L342 A343 E344 R348 H349 R350	F305-I346 HydrophobicContact CB-CG1 4.49Å; W318-I346 HydrophobicContact CE3-CG2 4.25Å; W318-I346 HydrophobicContact CH2-CB 4.44Å; W318-I346 HydrophobicContact CH2-CD1 3.5Å; W318-I346 HydrophobicContact CH2-CG1 3.69Å; W318-I346 HydrophobicContact CH2-CG2 3.89Å; W318-I346 HydrophobicContact CZ2-CD1 3.7Å; W318-I346 HydrophobicContact CZ2-CG1 4.36Å; W318-I346 HydrophobicContact CZ3-CB 4.5Å; W318-I346 HydrophobicContact CZ3-CD1 4.17Å; W318-I346 HydrophobicContact CZ3-CG1 4.22Å; W318-I346 HydrophobicContact CZ3-CG2 3.5Å; P322-I346 HydrophobicContact CG-CD1 3.72Å; P322-I346 HydrophobicContact CG-CG2 4.48Å; L326-I346 HydrophobicContact CD1-CD1 3.79Å; L342-I346 HydrophobicContact CD1-CD1 4.08Å; L342-I346 HydrophobicContact CD1-CG1 4.27Å; L342-I346 HydrophobicContact CG-CD1 3.92Å; L342-I346 WeakPolarHBondContact O-CG1 3.3Å; L342-I346 PolarHBondContact O-N 3.05Å; A343-I346 PolarHBondContact O-N 3.46Å; E344-I346 PolarHBondContact O-N 2.9Å; I346-R348 VanDerWaalsContact C-N 3.33Å; I346-R348 PolarHBondContact O-N 3.42Å; I346-H349 PolarHBondContact O-N 2.86Å; I346-R350 PolarHBondContact O-N 3.01Å
347	R	98	Very high	97.3	Very high	40 Å²	40	47.8 Å²	47.8	15%	0.151	24%	0.243	C	C	.	.	H	α-helix	trans	-59.8	-45.1	179.8	-166.1	-173.3	-56	119.9	-5.7	111.4	H66 H70 E323 A343 E344 H349 R350 E370	H66-R347 PolarHBondContact CD2-NH1 3.14Å; H66-R347 VanDerWaalsContact CD2-NH1 3.3Å; H70-R347 WeakPolarHBondContact NE2-CD 3.28Å; E323-R347 HydrophobicContact CG-CB 4.33Å; A343-R347 VanDerWaalsContact O-CB 3.24Å; A343-R347 WeakPolarHBondContact O-CB 3.43Å; A343-R347 PolarHBondContact O-N 3.41Å; E344-R347 PolarHBondContact O-N 3.4Å; R347-H349 VanDerWaalsContact C-N 3.33Å; R347-H349 PolarHBondContact O-N 2.88Å; R347-R350 WeakPolarHBondContact O-CB 3.39Å; R347-E370 IonicContact CZ-OE1 2.64Å; R347-E370 IonicContact NE-OE1 2.97Å; R347-E370 PolarHBondContact NE-OE1 3.38Å; R347-E370 IonicContact NH2-OE1 3.45Å; R347-E370 PolarHBondContact NH2-OE1 3.41Å
348	R	97.4	Very high	97.1	Very high	191 Å²	191	49 Å²	49	72%	0.721	25%	0.251	S	S	*	.	H	α-helix	trans	-64.4	-35.2	-179.7	179.4	176.6	175.1	176.7	-2	113.1	E344 Q345 I346	E344-R348 VanDerWaalsContact O-CB 3.27Å; E344-R348 WeakPolarHBondContact O-CB 3.29Å; E344-R348 PolarHBondContact O-N 3.24Å; Q345-R348 PolarHBondContact O-N 3.33Å; I346-R348 VanDerWaalsContact C-N 3.33Å; I346-R348 PolarHBondContact O-N 3.42Å
349	H	98.3	Very high	96.9	Very high	59 Å²	59	51 Å²	51	27%	0.273	27%	0.265	S	S	.	.	H	α-helix	trans	-97.9	-0.6	-174.9	-64.2	89.3	0	0	0	113.5	G304 F305 Q306 Q345 I346 R347 V351	G304-H349 WeakPolarHBondContact O-CB 3.26Å; F305-H349 HydrophobicContact CB-CB 4.27Å; Q306-H349 HydrophobicContact CG-CB 4.15Å; Q306-H349 WeakPolarHBondContact CG-O 3.34Å; Q306-H349 PolarHBondContact NE2-O 3.32Å; Q345-H349 PolarHBondContact O-N 3.31Å; Q345-H349 VanDerWaalsContact O-N 3.14Å; Q345-H349 PolarHBondContact O-ND1 3.37Å; I346-H349 PolarHBondContact O-N 2.86Å; R347-H349 VanDerWaalsContact C-N 3.33Å; R347-H349 PolarHBondContact O-N 2.88Å; H349-V351 PolarHBondContact O-N 3.08Å
350	R	97.1	Very high	96.6	Very high	72 Å²	72	54.2 Å²	54.2	27%	0.272	28%	0.279	S	S	.	.			trans	-53.4	132.1	-177.2	-166.8	160.7	-73.2	-138.4	-11.7	112	G321 E323 I346 R347 P358	G321-R350 PolarHBondContact O-NH1 3.43Å; G321-R350 PolarHBondContact O-NH2 3.24Å; E323-R350 IonicContact OE1-CZ 2.71Å; E323-R350 IonicContact OE1-NE 3.6Å; E323-R350 PolarHBondContact OE1-NE 3.16Å; E323-R350 IonicContact OE1-NH1 2.65Å; E323-R350 IonicContact OE1-NH2 3.33Å; E323-R350 PolarHBondContact OE1-NH2 3.19Å; E323-R350 IonicContact OE2-CZ 2.62Å; E323-R350 IonicContact OE2-NH1 3.17Å; E323-R350 IonicContact OE2-NH2 3.94Å; E323-R350 PolarHBondContact OE2-NH2 3.01Å; I346-R350 PolarHBondContact O-N 3.01Å; R347-R350 WeakPolarHBondContact O-CB 3.39Å; R350-P358 HydrophobicContact CG-CG 4.1Å
351	V	97.1	Very high	96.4	Very high	27 Å²	27	54.5 Å²	54.5	16%	0.164	28%	0.283	C	S	.	.			trans	-70.1	130.8	179.7	-178.4	0	0	0	0	109.7	Q306 H349 E353	Q306-V351 HydrophobicContact CB-CG2 4.34Å; Q306-V351 HydrophobicContact CG-CG2 4.04Å; H349-V351 PolarHBondContact O-N 3.08Å; V351-E353 WeakPolarHBondContact CG1-O 3.19Å
352	V	93.9	Very high	96.2	Very high	137 Å²	137	55.2 Å²	55.2	83%	0.83	29%	0.287	S	S	*	.	S	Bend	trans	-86.9	-39.4	-179.7	179.8	0	0	0	0	111.8	T357	V352-T357 WeakPolarHBondContact O-CG2 3.37Å
353	E	94.1	Very high	96.2	Very high	181 Å²	181	59.3 Å²	59.3	85%	0.846	30%	0.303	S	S	*	.	S	Bend	trans	-145.3	144.1	178.8	-172.2	177.2	-176.4	0	0	110.6	V351 T357	V351-E353 WeakPolarHBondContact CG1-O 3.19Å; E353-T357 VanDerWaalsContact CA-OG1 3.25Å; E353-T357 WeakPolarHBondContact CA-OG1 3.43Å; E353-T357 PolarHBondContact N-OG1 3.04Å
354	G	94.6	Very high	96.2	Very high	40 Å²	40	60.4 Å²	60.4	41%	0.412	31%	0.307	S	S	.	.	S	Bend	trans	95.7	-166.3	-179.9	0	0	0	0	0	114.6	G356 T357	G354-G356 PolarHBondContact O-N 3.48Å; G354-T357 PolarHBondContact N-OG1 3.42Å; G354-T357 VanDerWaalsContact N-OG1 3.11Å; G354-T357 VanDerWaalsContact O-CB 3.31Å; G354-T357 WeakPolarHBondContact O-CB 3.48Å; G354-T357 PolarHBondContact O-N 2.89Å; G354-T357 PolarHBondContact O-OG1 3.26Å
355	P	95	Very high	96.2	Very high	68 Å²	68	56.6 Å²	56.6	44%	0.442	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	125.8	-179	-29.4	37.2	0	0	0	113	Y316	Y316-P355 HydrophobicContact CD1-CB 4.37Å; Y316-P355 HydrophobicContact CE1-CB 3.79Å; Y316-P355 HydrophobicContact CE2-CB 4.11Å
356	G	93.4	Very high	96.2	Very high	6 Å²	6	55.8 Å²	55.8	6%	0.062	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	91.2	-1.3	-176.9	0	0	0	0	0	115.8	N317 G354 P358	N317-G356 PolarHBondContact ND2-O 2.87Å; N317-G356 VanDerWaalsContact ND2-O 3.13Å; G354-G356 PolarHBondContact O-N 3.48Å; G356-P358 WeakPolarHBondContact O-CD 3.37Å
357	T	96.9	Very high	96.2	Very high	50 Å²	50	56.4 Å²	56.4	31%	0.307	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-62.4	126	169.7	-55.4	0	0	0	0	109.9	V352 E353 G354 S359	V352-T357 WeakPolarHBondContact O-CG2 3.37Å; E353-T357 VanDerWaalsContact CA-OG1 3.25Å; E353-T357 WeakPolarHBondContact CA-OG1 3.43Å; E353-T357 PolarHBondContact N-OG1 3.04Å; G354-T357 PolarHBondContact N-OG1 3.42Å; G354-T357 VanDerWaalsContact N-OG1 3.11Å; G354-T357 VanDerWaalsContact O-CB 3.31Å; G354-T357 WeakPolarHBondContact O-CB 3.48Å; G354-T357 PolarHBondContact O-N 2.89Å; G354-T357 PolarHBondContact O-OG1 3.26Å; T357-S359 PolarHBondContact O-N 2.98Å
358	P	94.1	Very high	96.2	Very high	26 Å²	26	55.1 Å²	55.1	17%	0.169	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-59.2	135.4	175.3	-25.5	35.7	0	0	0	111.7	R350 G356 R363	R350-P358 HydrophobicContact CG-CG 4.1Å; G356-P358 WeakPolarHBondContact O-CD 3.37Å; P358-R363 HydrophobicContact CB-CB 3.71Å
359	S	93.8	Very high	96.3	Very high	48 Å²	48	46.1 Å²	46.1	34%	0.336	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-61.9	150	-176.3	76.2	0	0	0	0	111.9	T357 G361 Q362 R363	T357-S359 PolarHBondContact O-N 2.98Å; S359-G361 PolarHBondContact O-N 3.21Å; S359-G361 VanDerWaalsContact O-N 3.17Å; S359-Q362 PolarHBondContact O-N 3.33Å; S359-Q362 VanDerWaalsContact O-N 3.09Å; S359-Q362 WeakPolarHBondContact OG-CB 3.49Å; S359-Q362 VanDerWaalsContact OG-CG 3.25Å; S359-Q362 WeakPolarHBondContact OG-CG 3.3Å; S359-Q362 PolarHBondContact OG-N 2.85Å; S359-Q362 PolarHBondContact OG-OE1 3.2Å; S359-R363 WeakPolarHBondContact O-CB 3.38Å; S359-R363 WeakPolarHBondContact O-CG 3.44Å; S359-R363 PolarHBondContact O-N 3.32Å
360	K	94.1	Very high	96.3	Very high	67 Å²	67	43.5 Å²	43.5	29%	0.291	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.8	179.6	-170.1	-175.6	171.2	-169.7	0	112.4	E84 Y85 I101	E84-K360 VanDerWaalsContact CD-NZ 3.29Å; E84-K360 WeakPolarHBondContact OE1-CE 3.47Å; E84-K360 IonicContact OE1-NZ 3.7Å; E84-K360 PolarHBondContact OE1-NZ 3Å; Y85-K360 HydrophobicContact CE1-CG 4.46Å; I101-K360 HydrophobicContact CD1-CD 4.15Å; I101-K360 HydrophobicContact CD1-CG 3.9Å
361	G	93.7	Very high	96.4	Very high	12 Å²	12	40.1 Å²	40.1	12%	0.124	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-22.2	179.7	0	0	0	0	0	115	N104 S359	N104-G361 WeakPolarHBondContact CB-O 2.95Å; N104-G361 PolarHBondContact ND2-O 3.3Å; S359-G361 PolarHBondContact O-N 3.21Å; S359-G361 VanDerWaalsContact O-N 3.17Å
362	Q	95.8	Very high	96.5	Very high	28 Å²	28	39.8 Å²	39.8	13%	0.131	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.7	-29.9	-167.3	-62.8	163.7	-15.9	0	0	113.3	E100 F319 Y320 S359 W364 C365	E100-Q362 VanDerWaalsContact OE1-CG 3.24Å; E100-Q362 WeakPolarHBondContact OE1-CG 3.32Å; E100-Q362 PolarHBondContact OE1-NE2 2.92Å; F319-Q362 WeakPolarHBondContact O-CB 3.3Å; Y320-Q362 HydrophobicContact CE1-CB 4.16Å; Y320-Q362 HydrophobicContact CE1-CG 4.1Å; Y320-Q362 HydrophobicContact CE2-CG 4.48Å; S359-Q362 PolarHBondContact O-N 3.33Å; S359-Q362 VanDerWaalsContact O-N 3.09Å; S359-Q362 WeakPolarHBondContact OG-CB 3.49Å; S359-Q362 VanDerWaalsContact OG-CG 3.25Å; S359-Q362 WeakPolarHBondContact OG-CG 3.3Å; S359-Q362 PolarHBondContact OG-N 2.85Å; S359-Q362 PolarHBondContact OG-OE1 3.2Å; Q362-W364 PolarHBondContact O-N 3.34Å; Q362-C365 WeakPolarHBondContact O-CB 3.48Å; Q362-C365 PolarHBondContact O-N 3.12Å
363	R	97.4	Very high	96.7	Very high	86 Å²	86	33.4 Å²	33.4	33%	0.325	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.6	-167.2	66.1	179.7	-175.9	-174.3	0.7	116.9	Y85 P358 S359	Y85-R363 PolarHBondContact OH-NH2 2.81Å; P358-R363 HydrophobicContact CB-CB 3.71Å; S359-R363 WeakPolarHBondContact O-CB 3.38Å; S359-R363 WeakPolarHBondContact O-CG 3.44Å; S359-R363 PolarHBondContact O-N 3.32Å
364	W	98.7	Very high	97	Very high	23 Å²	23	26.2 Å²	26.2	9%	0.087	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	-2	-178.4	-60.1	-30.4	0	0	0	113.9	A74 T77 M78 Y85 A108 Q362 T366 L367	A74-W364 HydrophobicContact CB-CD2 3.49Å; A74-W364 VanDerWaalsContact CB-CD2 3.49Å; A74-W364 VanDerWaalsContact CB-CE2 3.46Å; A74-W364 HydrophobicContact CB-CE3 3.97Å; A74-W364 HydrophobicContact CB-CG 3.77Å; A74-W364 HydrophobicContact CB-CH2 4.35Å; A74-W364 HydrophobicContact CB-CZ2 3.92Å; A74-W364 HydrophobicContact CB-CZ3 4.37Å; T77-W364 HydrophobicContact CG2-CH2 3.8Å; T77-W364 HydrophobicContact CG2-CZ2 4.32Å; M78-W364 HydrophobicContact CE-CZ3 4.48Å; M78-W364 HydrophobicContact CG-CH2 4.3Å; M78-W364 HydrophobicContact CG-CZ3 3.66Å; M78-W364 HydrophobicContact SD-CE3 4.4Å; M78-W364 HydrophobicContact SD-CZ3 4.08Å; Y85-W364 HydrophobicContact CD1-CZ3 4.1Å; Y85-W364 AromaticContact CE1-CH2 3.86Å; Y85-W364 HydrophobicContact CE1-CH2 3.86Å; Y85-W364 AromaticContact CE1-CZ3 3.58Å; Y85-W364 HydrophobicContact CE1-CZ3 3.58Å; A108-W364 HydrophobicContact CB-CB 4.28Å; Q362-W364 PolarHBondContact O-N 3.34Å; W364-T366 VanDerWaalsContact C-N 3.29Å; W364-T366 PolarHBondContact O-N 2.78Å; W364-L367 HydrophobicContact CB-CD1 3.96Å; W364-L367 HydrophobicContact CG-CD1 4.09Å; W364-L367 PolarHBondContact O-N 2.62Å
365	C	98.8	Very high	97.1	Very high	2 Å²	2	25.4 Å²	25.4	1%	0.014	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-41.3	-170.8	-179.7	0	0	0	0	113.2	N104 R267 Y320 Q362 H368	N104-C365 HydrophobicContact CB-CB 3.84Å; N104-C365 VanDerWaalsContact CG-SG 3.52Å; N104-C365 PolarHBondContact OD1-SG 2.84Å; R267-C365 PolarHBondContact NE-SG 2.71Å; R267-C365 PolarHBondContact NH2-SG 3.04Å; R267-C365 VanDerWaalsContact NH2-SG 3.36Å; Y320-C365 HydrophobicContact CD1-CB 3.72Å; Y320-C365 HydrophobicContact CE1-CB 3.76Å; Q362-C365 WeakPolarHBondContact O-CB 3.48Å; Q362-C365 PolarHBondContact O-N 3.12Å; C365-H368 PolarHBondContact O-CE1 3.41Å; C365-H368 PolarHBondContact O-ND1 2.78Å
366	T	98.8	Very high	97.2	Very high	6 Å²	6	23.4 Å²	23.4	4%	0.037	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	4	-170.6	54.4	0	0	0	0	114.4	R267 G321 W364 H368 T369 E370	R267-T366 HydrophobicContact CG-CG2 4.01Å; G321-T366 WeakPolarHBondContact CA-OG1 3.4Å; G321-T366 PolarHBondContact N-OG1 2.96Å; W364-T366 VanDerWaalsContact C-N 3.29Å; W364-T366 PolarHBondContact O-N 2.78Å; T366-H368 PolarHBondContact O-N 3.38Å; T366-T369 PolarHBondContact O-N 3.25Å; T366-T369 PolarHBondContact O-OG1 3.35Å; T366-T369 VanDerWaalsContact O-OG1 3.05Å; T366-E370 WeakPolarHBondContact O-CB 3.28Å; T366-E370 PolarHBondContact O-N 3.44Å
367	L	98.9	Very high	97.4	Very high	16 Å²	16	27 Å²	27	8%	0.084	15%	0.149	C	C	.	.	H	α-helix	trans	-59.3	-35.5	-178.5	-70.4	178	0	0	0	112.7	H70 L71 A74 W364 F371	H70-L367 HydrophobicContact CB-CD2 4.17Å; L71-L367 HydrophobicContact CD2-CB 3.56Å; L71-L367 HydrophobicContact CD2-CD1 4.18Å; L71-L367 HydrophobicContact CG-CB 4.07Å; A74-L367 HydrophobicContact CB-CD1 4.31Å; W364-L367 HydrophobicContact CB-CD1 3.96Å; W364-L367 HydrophobicContact CG-CD1 4.09Å; W364-L367 PolarHBondContact O-N 2.62Å; L367-F371 WeakPolarHBondContact O-CB 3.24Å; L367-F371 PolarHBondContact O-N 3.46Å
368	H	98.9	Very high	97.5	Very high	13 Å²	13	25.6 Å²	25.6	6%	0.06	14%	0.14	C	C	.	.	H	α-helix	trans	-68.9	-43.3	179.8	68	-75.7	0	0	0	112.4	M111 C365 T366 F371 L372	M111-H368 HydrophobicContact CB-CB 3.59Å; M111-H368 HydrophobicContact CG-CB 3.87Å; M111-H368 HydrophobicContact SD-CB 4.49Å; C365-H368 PolarHBondContact O-CE1 3.41Å; C365-H368 PolarHBondContact O-ND1 2.78Å; T366-H368 PolarHBondContact O-N 3.38Å; H368-F371 PolarHBondContact O-N 3.02Å; H368-L372 WeakPolarHBondContact O-CD1 3.41Å; H368-L372 VanDerWaalsContact O-CG 3.22Å; H368-L372 WeakPolarHBondContact O-CG 3.42Å; H368-L372 PolarHBondContact O-N 3.4Å; H368-L372 VanDerWaalsContact O-N 3.15Å
369	T	98.9	Very high	97.5	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.012	16%	0.164	C	C	.	.	H	α-helix	trans	-72.8	-34.9	176.3	44.9	0	0	0	0	112	Y47 Q271 S324 T366 F371 L372 W373	Y47-T369 HydrophobicContact CE1-CG2 4.37Å; Q271-T369 HydrophobicContact CG-CG2 4.37Å; S324-T369 WeakPolarHBondContact OG-CB 3.28Å; S324-T369 PolarHBondContact OG-OG1 2.78Å; T366-T369 PolarHBondContact O-N 3.25Å; T366-T369 PolarHBondContact O-OG1 3.35Å; T366-T369 VanDerWaalsContact O-OG1 3.05Å; T369-F371 VanDerWaalsContact C-N 3.33Å; T369-F371 PolarHBondContact O-N 3.06Å; T369-L372 PolarHBondContact O-N 3.15Å; T369-W373 HydrophobicContact CG2-CE3 4.46Å; T369-W373 HydrophobicContact CG2-CH2 3.84Å; T369-W373 HydrophobicContact CG2-CZ2 3.92Å; T369-W373 HydrophobicContact CG2-CZ3 4.12Å; T369-W373 VanDerWaalsContact O-CB 3.27Å; T369-W373 WeakPolarHBondContact O-CB 3.27Å; T369-W373 VanDerWaalsContact O-CG 3.27Å; T369-W373 PolarHBondContact O-N 3.31Å
370	E	98.9	Very high	97.7	Very high	4 Å²	4	31.2 Å²	31.2	2%	0.019	16%	0.163	C	C	.	.	H	α-helix	trans	-56.3	-48.5	171.6	-173.8	-172.6	157.3	0	0	111.1	I67 E323 S324 V327 R347 T366 L372 W373 Y374	I67-E370 HydrophobicContact CD1-CG 4.24Å; I67-E370 HydrophobicContact CG2-CB 4.4Å; I67-E370 HydrophobicContact CG2-CG 4.1Å; E323-E370 VanDerWaalsContact CB-CD 3.43Å; E323-E370 HydrophobicContact CB-CG 4.03Å; S324-E370 PolarHBondContact OG-N 2.94Å; V327-E370 HydrophobicContact CG2-CG 4.28Å; R347-E370 IonicContact CZ-OE1 2.64Å; R347-E370 IonicContact NE-OE1 2.97Å; R347-E370 PolarHBondContact NE-OE1 3.38Å; R347-E370 IonicContact NH2-OE1 3.45Å; R347-E370 PolarHBondContact NH2-OE1 3.41Å; T366-E370 WeakPolarHBondContact O-CB 3.28Å; T366-E370 PolarHBondContact O-N 3.44Å; E370-L372 VanDerWaalsContact C-N 3.34Å; E370-L372 PolarHBondContact O-N 3.45Å; E370-W373 PolarHBondContact O-N 3.45Å; E370-Y374 WeakPolarHBondContact O-CB 3.09Å; E370-Y374 PolarHBondContact O-N 2.89Å
371	F	98.9	Very high	97.9	Very high	1 Å²	1	31.3 Å²	31.3	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-59.9	-42.7	176.1	-176.9	-85.5	0	0	0	112.2	L56 K59 A60 H64 I67 A68 L71 M111 L115 L367 H368 T369	L56-F371 HydrophobicContact CB-CE1 4.3Å; L56-F371 HydrophobicContact CD2-CE1 4.14Å; L56-F371 WeakPolarHBondContact O-CZ 3.38Å; K59-F371 HydrophobicContact CB-CZ 4.33Å; A60-F371 HydrophobicContact CB-CE2 3.88Å; A60-F371 HydrophobicContact CB-CZ 3.78Å; H64-F371 HydrophobicContact CB-CD2 3.93Å; H64-F371 HydrophobicContact CB-CE2 3.4Å; H64-F371 VanDerWaalsContact CB-CE2 3.4Å; H64-F371 HydrophobicContact CB-CZ 4.01Å; H64-F371 PolarHBondContact CD2-O 3.37Å; I67-F371 HydrophobicContact CB-CD2 4.23Å; I67-F371 HydrophobicContact CG2-CB 3.95Å; I67-F371 HydrophobicContact CG2-CD2 4.29Å; A68-F371 HydrophobicContact CB-CD2 4.49Å; A68-F371 HydrophobicContact CB-CE2 4.1Å; L71-F371 HydrophobicContact CD1-CB 4.3Å; L71-F371 HydrophobicContact CD1-CD2 4.43Å; L71-F371 HydrophobicContact CD1-CG 4.46Å; M111-F371 HydrophobicContact CE-CD1 3.52Å; M111-F371 HydrophobicContact CE-CE1 3.74Å; M111-F371 HydrophobicContact CE-CG 4.43Å; L115-F371 HydrophobicContact CD1-CD1 4.42Å; L115-F371 HydrophobicContact CD1-CD2 4.23Å; L115-F371 HydrophobicContact CD1-CE1 4.1Å; L115-F371 HydrophobicContact CD1-CE2 3.89Å; L115-F371 HydrophobicContact CD1-CG 4.49Å; L115-F371 HydrophobicContact CD1-CZ 3.83Å; L115-F371 HydrophobicContact CD2-CE1 3.74Å; L115-F371 HydrophobicContact CD2-CZ 3.75Å; L115-F371 HydrophobicContact CG-CZ 4.45Å; L367-F371 WeakPolarHBondContact O-CB 3.24Å; L367-F371 PolarHBondContact O-N 3.46Å; H368-F371 PolarHBondContact O-N 3.02Å; T369-F371 VanDerWaalsContact C-N 3.33Å; T369-F371 PolarHBondContact O-N 3.06Å
372	L	98.9	Very high	98.1	Very high	19 Å²	19	33.2 Å²	33.2	10%	0.099	18%	0.18	C	C	.	.	H	α-helix	trans	-72.7	-32.8	-177.4	-69.1	166.8	0	0	0	113.1	Y47 F48 L56 M111 F164 K331 H368 T369 E370	Y47-L372 HydrophobicContact CG-CD1 4.05Å; F48-L372 HydrophobicContact CD1-CD1 4.22Å; F48-L372 HydrophobicContact CD1-CD2 3.51Å; F48-L372 HydrophobicContact CE1-CD1 4.18Å; F48-L372 HydrophobicContact CE1-CD2 3.81Å; F48-L372 HydrophobicContact CG-CD2 4.5Å; L56-L372 HydrophobicContact CD1-CD2 4.01Å; L56-L372 HydrophobicContact CD2-CD2 4.01Å; M111-L372 HydrophobicContact CE-CD2 4.12Å; M111-L372 HydrophobicContact SD-CD1 4.38Å; M111-L372 HydrophobicContact SD-CD2 4.39Å; M111-L372 HydrophobicContact SD-CG 4.36Å; F164-L372 HydrophobicContact CZ-CD1 4.24Å; K331-L372 PolarHBondContact NZ-O 3.36Å; K331-L372 VanDerWaalsContact NZ-O 3.08Å; H368-L372 WeakPolarHBondContact O-CD1 3.41Å; H368-L372 VanDerWaalsContact O-CG 3.22Å; H368-L372 WeakPolarHBondContact O-CG 3.42Å; H368-L372 PolarHBondContact O-N 3.4Å; H368-L372 VanDerWaalsContact O-N 3.15Å; T369-L372 PolarHBondContact O-N 3.15Å; E370-L372 VanDerWaalsContact C-N 3.34Å; E370-L372 PolarHBondContact O-N 3.45Å
373	W	98.8	Very high	98.2	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.011	18%	0.176	C	C	.	.	H	α-helix	trans	-97.4	-8.2	-174.2	-61.8	-24.4	0	0	0	114	Y47 F270 Q271 F274 S324 V327 F328 K331 F332 T369 E370	Y47-W373 HydrophobicContact CE1-CZ2 4.28Å; F270-W373 HydrophobicContact CB-CH2 4.13Å; F270-W373 HydrophobicContact CB-CZ3 4.22Å; Q271-W373 HydrophobicContact CB-CH2 4.47Å; Q271-W373 HydrophobicContact CG-CH2 3.74Å; Q271-W373 HydrophobicContact CG-CZ2 4.2Å; F274-W373 HydrophobicContact CB-CZ2 4.09Å; F274-W373 AromaticContact CD2-NE1 3.35Å; F274-W373 AromaticContact CE2-NE1 3.62Å; F274-W373 HydrophobicContact CG-CZ2 4.27Å; F274-W373 AromaticContact CG-NE1 3.72Å; S324-W373 WeakPolarHBondContact OG-CZ3 3.38Å; V327-W373 HydrophobicContact CG2-CB 4.12Å; F328-W373 HydrophobicContact CB-CB 4.39Å; F328-W373 HydrophobicContact CB-CD2 4.28Å; F328-W373 HydrophobicContact CB-CE3 3.78Å; F328-W373 HydrophobicContact CB-CZ3 4.34Å; F328-W373 AromaticContact CD2-CD2 3.68Å; F328-W373 HydrophobicContact CD2-CD2 3.68Å; F328-W373 AromaticContact CD2-CE2 3.93Å; F328-W373 AromaticContact CD2-CE3 3.7Å; F328-W373 HydrophobicContact CD2-CE3 3.7Å; F328-W373 HydrophobicContact CD2-CG 4.16Å; F328-W373 HydrophobicContact CD2-CH2 4.16Å; F328-W373 HydrophobicContact CD2-CZ2 4.18Å; F328-W373 AromaticContact CD2-CZ3 3.94Å; F328-W373 HydrophobicContact CD2-CZ3 3.94Å; F328-W373 HydrophobicContact CE2-CZ2 4.41Å; F328-W373 HydrophobicContact CG-CD2 4.47Å; F328-W373 HydrophobicContact CG-CE3 4.17Å; F328-W373 HydrophobicContact CG-CZ3 4.44Å; K331-W373 WeakPolarHBondContact CB-O 3.32Å; K331-W373 WeakPolarHBondContact CD-O 3.48Å; F332-W373 HydrophobicContact CE2-CB 4.26Å; F332-W373 AromaticContact CE2-CD1 3.86Å; F332-W373 HydrophobicContact CE2-CG 4.05Å; T369-W373 HydrophobicContact CG2-CE3 4.46Å; T369-W373 HydrophobicContact CG2-CH2 3.84Å; T369-W373 HydrophobicContact CG2-CZ2 3.92Å; T369-W373 HydrophobicContact CG2-CZ3 4.12Å; T369-W373 VanDerWaalsContact O-CB 3.27Å; T369-W373 WeakPolarHBondContact O-CB 3.27Å; T369-W373 VanDerWaalsContact O-CG 3.27Å; T369-W373 PolarHBondContact O-N 3.31Å; E370-W373 PolarHBondContact O-N 3.45Å
374	Y	98.8	Very high	98.2	Very high	31 Å²	31	35.1 Å²	35.1	12%	0.122	21%	0.205	C	C	.	.			trans	-63.4	140.1	169.2	-175.1	-116.1	0	0	0	111.7	H64 H66 I67 V327 N340 E370 A376	H64-Y374 AromaticContact CD2-CD1 3.72Å; H64-Y374 AromaticContact CE1-CD1 3.67Å; H64-Y374 AromaticContact CG-CD1 3.85Å; H64-Y374 AromaticContact ND1-CD1 3.84Å; H64-Y374 AromaticContact NE2-CD1 3.64Å; H64-Y374 PolarHBondContact NE2-O 3.29Å; H66-Y374 AromaticContact CE1-CE1 3.55Å; H66-Y374 AromaticContact CE1-CZ 3.68Å; I67-Y374 HydrophobicContact CD1-CD1 3.91Å; I67-Y374 HydrophobicContact CD1-CD2 4.29Å; I67-Y374 HydrophobicContact CD1-CG 3.68Å; V327-Y374 HydrophobicContact CB-CD2 4.23Å; V327-Y374 HydrophobicContact CG1-CD2 3.81Å; N340-Y374 HydrophobicContact CB-CE2 4.16Å; N340-Y374 WeakPolarHBondContact ND2-CE2 3.2Å; E370-Y374 WeakPolarHBondContact O-CB 3.09Å; E370-Y374 PolarHBondContact O-N 2.89Å; Y374-A376 HydrophobicContact CD1-CB 4.3Å; Y374-A376 HydrophobicContact CE1-CB 3.64Å
375	D	98.1	Very high	98.1	Very high	23 Å²	23	35.6 Å²	35.6	12%	0.123	21%	0.21	C	C	.	.			trans	-124.9	101.1	172.9	-172.1	-12.4	0	0	0	108.9	K331 R335 N340 S377 L378	K331-D375 HydrophobicContact CB-CB 4.11Å; K331-D375 HydrophobicContact CD-CB 4.01Å; K331-D375 HydrophobicContact CG-CB 3.92Å; R335-D375 IonicContact NH1-OD2 3.68Å; N340-D375 PolarHBondContact ND2-O 3.4Å; N340-D375 VanDerWaalsContact ND2-O 3.15Å; D375-S377 VanDerWaalsContact CG-OG 3.28Å; D375-S377 PolarHBondContact O-N 2.98Å; D375-S377 WeakPolarHBondContact OD1-CB 3.38Å; D375-S377 PolarHBondContact OD1-N 3.43Å; D375-S377 PolarHBondContact OD1-OG 2.97Å; D375-S377 PolarHBondContact OD2-OG 3.13Å; D375-L378 HydrophobicContact CB-CD1 4.12Å; D375-L378 HydrophobicContact CB-CG 4.31Å; D375-L378 PolarHBondContact O-N 3.22Å; D375-L378 VanDerWaalsContact O-N 3.15Å
376	A	97.4	Very high	98.1	Very high	25 Å²	25	39.1 Å²	39.1	21%	0.207	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-11.2	-178.3	0	0	0	0	0	114.1	T63 Y374	T63-A376 VanDerWaalsContact CB-CB 3.48Å; T63-A376 HydrophobicContact CG2-CB 4.06Å; Y374-A376 HydrophobicContact CD1-CB 4.3Å; Y374-A376 HydrophobicContact CE1-CB 3.64Å
377	S	97.2	Very high	98	Very high	82 Å²	82	39.7 Å²	39.7	57%	0.573	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-19.3	172.4	72.3	0	0	0	0	112.3	D375 H379	D375-S377 VanDerWaalsContact CG-OG 3.28Å; D375-S377 PolarHBondContact O-N 2.98Å; D375-S377 WeakPolarHBondContact OD1-CB 3.38Å; D375-S377 PolarHBondContact OD1-N 3.43Å; D375-S377 PolarHBondContact OD1-OG 2.97Å; D375-S377 PolarHBondContact OD2-OG 3.13Å; S377-H379 PolarHBondContact O-N 2.89Å
378	L	97.7	Very high	97.8	Very high	21 Å²	21	42.5 Å²	42.5	11%	0.11	25%	0.248	C	C	.	.	S	Bend	trans	-92	96.8	173.3	-57.2	175.9	0	0	0	108.5	D330 R335 N340 D375	D330-L378 HydrophobicContact CB-CD1 4.36Å; R335-L378 HydrophobicContact CB-CD1 4.48Å; R335-L378 HydrophobicContact CB-CD2 4.4Å; N340-L378 PolarHBondContact ND2-O 3.4Å; D375-L378 HydrophobicContact CB-CD1 4.12Å; D375-L378 HydrophobicContact CB-CG 4.31Å; D375-L378 PolarHBondContact O-N 3.22Å; D375-L378 VanDerWaalsContact O-N 3.15Å
379	H	95.3	Very high	97.7	Very high	146 Å²	146	43.2 Å²	43.2	68%	0.676	25%	0.254	S	S	*	.			trans	-59.4	148.5	177	-64.2	-57.4	0	0	0	111.5	G337 S377 V381	G337-H379 WeakPolarHBondContact CA-O 3.23Å; S377-H379 PolarHBondContact O-N 2.89Å; H379-V381 WeakPolarHBondContact O-CG2 3.3Å; H379-V381 PolarHBondContact O-N 2.81Å; H379-V381 VanDerWaalsContact O-N 3.09Å
380	S	98.1	Very high	97.7	Very high	45 Å²	45	47.6 Å²	47.6	32%	0.315	27%	0.273	S	S	.	.			trans	-62.2	108.4	175	-177.7	0	0	0	0	109.9	W341 E344	W341-S380 WeakPolarHBondContact CA-OG 3.3Å; W341-S380 WeakPolarHBondContact CB-OG 3.37Å; E344-S380 WeakPolarHBondContact OE2-CB 3.32Å; E344-S380 PolarHBondContact OE2-OG 3.42Å
381	V	98.4	Very high	97.6	Very high	69 Å²	69	49.7 Å²	49.7	42%	0.418	28%	0.284	S	S	.	.			trans	-129.5	117.7	-178.2	178.1	0	0	0	0	109.8	G337 S338 H379	G337-V381 CarbonylContact C-O 3.46Å; G337-V381 PolarHBondContact O-N 3.39Å; G337-V381 VanDerWaalsContact O-N 3.08Å; S338-V381 WeakPolarHBondContact CA-O 3.31Å; S338-V381 PolarHBondContact N-O 2.88Å; S338-V381 PolarHBondContact OG-O 3.47Å; H379-V381 WeakPolarHBondContact O-CG2 3.3Å; H379-V381 PolarHBondContact O-N 2.81Å; H379-V381 VanDerWaalsContact O-N 3.09Å
382	P	98.3	Very high	97.6	Very high	53 Å²	53	51.9 Å²	51.9	34%	0.344	29%	0.294	S	S	.	.			trans	-60.4	149.6	177.4	25	-33.3	0	0	0	111.4	W341 Y386	W341-P382 HydrophobicContact CD2-CB 3.87Å; W341-P382 HydrophobicContact CE3-CB 4.45Å; W341-P382 HydrophobicContact CG-CB 4.21Å; W341-P382 HydrophobicContact CH2-CB 4.46Å; W341-P382 HydrophobicContact CZ2-CB 3.88Å; P382-Y386 HydrophobicContact CB-CD1 3.89Å; P382-Y386 HydrophobicContact CB-CG 4.03Å; P382-Y386 HydrophobicContact CG-CD1 4.48Å
383	P	98.1	Very high	97.6	Very high	10 Å²	10	53.2 Å²	53.2	7%	0.065	30%	0.298	C	S	.	.			trans	-52.9	146.2	167.4	-27.1	36.3	0	0	0	111.1	F294 Y298 W341 D385 Y386	F294-P383 HydrophobicContact CE1-CG 3.9Å; F294-P383 HydrophobicContact CZ-CG 3.83Å; Y298-P383 HydrophobicContact CD1-CG 4.44Å; Y298-P383 HydrophobicContact CD2-CG 4.3Å; Y298-P383 HydrophobicContact CE1-CB 3.98Å; Y298-P383 HydrophobicContact CE1-CG 3.96Å; Y298-P383 HydrophobicContact CE2-CB 4.49Å; Y298-P383 HydrophobicContact CE2-CG 3.81Å; W341-P383 VanDerWaalsContact CE3-CD 3.47Å; W341-P383 HydrophobicContact CE3-CG 4.49Å; W341-P383 HydrophobicContact CZ3-CG 4.38Å; P383-D385 PolarHBondContact O-N 2.81Å; P383-Y386 VanDerWaalsContact O-CB 3.31Å; P383-Y386 WeakPolarHBondContact O-CB 3.39Å; P383-Y386 PolarHBondContact O-N 3.26Å
384	P	97.1	Very high	97.6	Very high	144 Å²	144	53.1 Å²	53.1	94%	0.935	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-19.5	-175.2	-27.5	35	0	0	0	115.5
385	D	96.7	Very high	97.6	Very high	33 Å²	33	54.8 Å²	54.8	18%	0.176	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	5.9	-179.7	71.3	-17.7	0	0	0	114.1	Y298 R299 P383 V388 K390	Y298-D385 WeakPolarHBondContact CE1-OD1 3.13Å; Y298-D385 PolarHBondContact OH-OD1 3.44Å; R299-D385 IonicContact CZ-OD2 3.74Å; R299-D385 IonicContact NH1-OD1 2.73Å; R299-D385 IonicContact NH1-OD2 2.82Å; R299-D385 PolarHBondContact NH1-OD2 3.03Å; R299-D385 IonicContact NH2-OD1 2.75Å; R299-D385 IonicContact NH2-OD2 3.7Å; R299-D385 PolarHBondContact NH2-OD2 2.92Å; P383-D385 PolarHBondContact O-N 2.81Å; D385-V388 WeakPolarHBondContact O-CB 3.26Å; D385-V388 PolarHBondContact O-N 3.47Å; D385-V388 VanDerWaalsContact O-N 3.15Å; D385-K390 HydrophobicContact CB-CG 4.27Å
386	Y	98.1	Very high	97.6	Very high	75 Å²	75	53.9 Å²	53.9	29%	0.294	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	140.2	175.7	172.1	-115.3	0	0	0	111.6	Y298 F305 W341 P382 P383 V388 A405	Y298-Y386 WeakPolarHBondContact OH-CA 3.46Å; F305-Y386 HydrophobicContact CE2-CE2 4.38Å; F305-Y386 AromaticContact CZ-CE2 3.76Å; F305-Y386 HydrophobicContact CZ-CE2 3.76Å; W341-Y386 AromaticContact CH2-CD2 3.4Å; W341-Y386 HydrophobicContact CH2-CD2 3.4Å; W341-Y386 AromaticContact CH2-CE2 3.68Å; W341-Y386 HydrophobicContact CH2-CE2 3.68Å; W341-Y386 AromaticContact CH2-CG 3.86Å; W341-Y386 HydrophobicContact CH2-CG 3.86Å; W341-Y386 AromaticContact CZ2-CD1 3.97Å; W341-Y386 HydrophobicContact CZ2-CD1 3.97Å; W341-Y386 AromaticContact CZ2-CD2 3.62Å; W341-Y386 HydrophobicContact CZ2-CD2 3.62Å; W341-Y386 AromaticContact CZ2-CE1 3.96Å; W341-Y386 HydrophobicContact CZ2-CE1 3.96Å; W341-Y386 AromaticContact CZ2-CE2 3.64Å; W341-Y386 HydrophobicContact CZ2-CE2 3.64Å; W341-Y386 AromaticContact CZ2-CG 3.78Å; W341-Y386 HydrophobicContact CZ2-CG 3.78Å; W341-Y386 AromaticContact CZ2-CZ 3.77Å; P382-Y386 HydrophobicContact CB-CD1 3.89Å; P382-Y386 HydrophobicContact CB-CG 4.03Å; P382-Y386 HydrophobicContact CG-CD1 4.48Å; P383-Y386 VanDerWaalsContact O-CB 3.31Å; P383-Y386 WeakPolarHBondContact O-CB 3.39Å; P383-Y386 PolarHBondContact O-N 3.26Å; Y386-V388 PolarHBondContact O-N 3.16Å; Y386-A405 VanDerWaalsContact CD2-O 3.27Å; Y386-A405 WeakPolarHBondContact CD2-O 3.42Å; Y386-A405 WeakPolarHBondContact CE2-O 3.41Å
387	G	95.8	Very high	97.7	Very high	18 Å²	18	52.9 Å²	52.9	19%	0.186	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	-3.6	-177.3	0	0	0	0	0	114.4	R412	G387-R412 PolarHBondContact O-NH1 2.89Å; G387-R412 PolarHBondContact O-NH2 3.06Å
388	V	96.6	Very high	97.7	Very high	75 Å²	75	49.1 Å²	49.1	46%	0.455	27%	0.267	S	S	.	.	S	Bend	trans	-107.5	122.1	172.4	-177.1	0	0	0	0	108.8	D385 Y386 K390	D385-V388 WeakPolarHBondContact O-CB 3.26Å; D385-V388 PolarHBondContact O-N 3.47Å; D385-V388 VanDerWaalsContact O-N 3.15Å; Y386-V388 PolarHBondContact O-N 3.16Å; V388-K390 PolarHBondContact O-N 2.9Å
389	P	96.3	Very high	97.8	Very high	28 Å²	28	48.1 Å²	48.1	18%	0.182	26%	0.261	C	S	.	.			trans	-58.4	124.8	173.5	-21.5	32.3	0	0	0	110.2	Y402 L406	P389-Y402 HydrophobicContact CB-CE1 4.05Å; P389-Y402 HydrophobicContact CB-CE2 3.84Å; P389-Y402 WeakPolarHBondContact CB-OH 3.38Å; P389-L406 HydrophobicContact CB-CD1 4.2Å; P389-L406 HydrophobicContact CG-CD1 3.91Å
390	K	97.5	Very high	98	Very high	95 Å²	95	41.1 Å²	41.1	41%	0.413	23%	0.229	S	C	.	.			trans	-126.5	137.4	-178.8	-74.1	-66	-174.2	-177.3	0	110.7	D385 V388 Y402 G403	D385-K390 HydrophobicContact CB-CG 4.27Å; V388-K390 PolarHBondContact O-N 2.9Å; K390-Y402 WeakPolarHBondContact O-CA 3.31Å; K390-G403 PolarHBondContact O-N 3.49Å
391	L	98.7	Very high	98	Very high	47 Å²	47	39 Å²	39	25%	0.246	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	132.7	169.2	-173.6	139.8	0	0	0	109.2	V400 T401 Y402 A528 E530 V535	L391-V400 HydrophobicContact CD1-CG1 4.05Å; L391-V400 HydrophobicContact CD2-CG1 4.32Å; L391-V400 HydrophobicContact CG-CG1 4Å; L391-T401 CarbonylContact C-O 3.56Å; L391-T401 WeakPolarHBondContact CA-O 3.24Å; L391-Y402 HydrophobicContact CB-CD2 4.03Å; L391-A528 HydrophobicContact CD1-CB 4.49Å; L391-A528 HydrophobicContact CD2-CB 4.25Å; L391-E530 HydrophobicContact CB-CB 4.34Å; L391-V535 HydrophobicContact CD1-CG1 3.65Å
392	H	98.8	Very high	98	Very high	47 Å²	47	36.5 Å²	36.5	22%	0.218	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137.1	174.7	-170.4	81.1	0	0	0	109.6	R299 F394 V400 T401	R299-H392 HydrophobicContact CB-CB 4.18Å; R299-H392 HydrophobicContact CG-CB 3.97Å; H392-F394 AromaticContact CD2-CD1 4Å; H392-F394 AromaticContact CD2-CD2 3.88Å; H392-F394 AromaticContact CD2-CE1 3.74Å; H392-F394 AromaticContact CD2-CE2 3.62Å; H392-F394 AromaticContact CD2-CZ 3.56Å; H392-F394 AromaticContact NE2-CD1 3.78Å; H392-F394 AromaticContact NE2-CE1 3.54Å; H392-F394 AromaticContact NE2-CZ 3.85Å; H392-V400 CarbonylContact O-C 3.49Å; H392-V400 WeakPolarHBondContact O-CA 3.37Å; H392-T401 PolarHBondContact N-O 3.5Å; H392-T401 PolarHBondContact O-N 3.47Å
393	Y	98.7	Very high	98	Very high	48 Å²	48	34 Å²	34	19%	0.188	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	122.8	176.6	172.3	-124.3	0	0	0	109.3	E395 V399 V400 V525 I727	Y393-E395 HydrophobicContact CD1-CB 3.93Å; Y393-E395 VanDerWaalsContact CE1-CA 3.45Å; Y393-E395 HydrophobicContact CE1-CB 3.42Å; Y393-E395 VanDerWaalsContact CE1-CB 3.42Å; Y393-V399 WeakPolarHBondContact CD2-O 3.36Å; Y393-V400 HydrophobicContact CD2-CG2 3.63Å; Y393-V400 HydrophobicContact CE2-CG2 4.36Å; Y393-V400 HydrophobicContact CG-CG2 4.37Å; Y393-V525 HydrophobicContact CD2-CG2 4.44Å; Y393-V525 HydrophobicContact CE2-CB 3.89Å; Y393-V525 HydrophobicContact CE2-CG1 4.42Å; Y393-V525 HydrophobicContact CE2-CG2 3.73Å; Y393-I727 HydrophobicContact CD1-CD1 3.73Å; Y393-I727 HydrophobicContact CD1-CG2 4.2Å; Y393-I727 HydrophobicContact CD2-CD1 4.18Å; Y393-I727 HydrophobicContact CE1-CD1 3.63Å; Y393-I727 HydrophobicContact CE1-CG1 4.42Å; Y393-I727 HydrophobicContact CE1-CG2 3.46Å; Y393-I727 VanDerWaalsContact CE1-CG2 3.46Å; Y393-I727 HydrophobicContact CE2-CD1 4.11Å; Y393-I727 HydrophobicContact CG-CD1 3.99Å
394	F	98.8	Very high	98	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	98.1	171.1	-66.4	-77.7	0	0	0	108.2	D252 A295 F296 R299 T300 H392 D396 W397 G398 V399 T401	D252-F394 HydrophobicContact CB-CB 4.4Å; D252-F394 HydrophobicContact CB-CD1 4.08Å; D252-F394 VanDerWaalsContact OD2-CA 3.29Å; D252-F394 WeakPolarHBondContact OD2-CA 3.41Å; D252-F394 VanDerWaalsContact OD2-CB 3.28Å; D252-F394 WeakPolarHBondContact OD2-CB 3.49Å; A295-F394 HydrophobicContact CB-CE1 4.43Å; F296-F394 HydrophobicContact CB-CE1 4.3Å; F296-F394 HydrophobicContact CD2-CE1 4.2Å; F296-F394 HydrophobicContact CD2-CZ 4.36Å; R299-F394 HydrophobicContact CB-CE2 4.1Å; R299-F394 HydrophobicContact CB-CZ 3.81Å; T300-F394 HydrophobicContact CG2-CE2 3.91Å; T300-F394 HydrophobicContact CG2-CZ 4.02Å; H392-F394 AromaticContact CD2-CD1 4Å; H392-F394 AromaticContact CD2-CD2 3.88Å; H392-F394 AromaticContact CD2-CE1 3.74Å; H392-F394 AromaticContact CD2-CE2 3.62Å; H392-F394 AromaticContact CD2-CZ 3.56Å; H392-F394 AromaticContact NE2-CD1 3.78Å; H392-F394 AromaticContact NE2-CE1 3.54Å; H392-F394 AromaticContact NE2-CZ 3.85Å; F394-D396 VanDerWaalsContact C-N 3.3Å; F394-D396 PolarHBondContact O-N 2.94Å; F394-W397 HydrophobicContact CB-CB 3.81Å; F394-W397 HydrophobicContact CB-CE3 4.41Å; F394-W397 HydrophobicContact CD2-CE3 4.09Å; F394-W397 HydrophobicContact CG-CE3 4.24Å; F394-G398 WeakPolarHBondContact O-CA 3.43Å; F394-G398 PolarHBondContact O-N 2.69Å; F394-V399 HydrophobicContact CB-CB 4.49Å; F394-V399 HydrophobicContact CD2-CB 4.28Å; F394-V399 HydrophobicContact CD2-CG1 4.45Å; F394-V399 PolarHBondContact N-O 3.39Å; F394-V399 PolarHBondContact O-N 3.29Å; F394-T401 HydrophobicContact CE2-CG2 4.38Å
395	E	97.9	Very high	98.1	Very high	66 Å²	66	26.9 Å²	26.9	31%	0.308	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-18.6	-171.3	75.3	-77.4	176.2	0	0	115.1	T251 D252 Y393 R425	T251-E395 WeakPolarHBondContact CB-OE1 3.29Å; T251-E395 PolarHBondContact OG1-OE1 3.03Å; D252-E395 WeakPolarHBondContact CB-OE2 3.28Å; D252-E395 PolarHBondContact OD2-N 2.88Å; Y393-E395 HydrophobicContact CD1-CB 3.93Å; Y393-E395 VanDerWaalsContact CE1-CA 3.45Å; Y393-E395 HydrophobicContact CE1-CB 3.42Å; Y393-E395 VanDerWaalsContact CE1-CB 3.42Å; E395-R425 VanDerWaalsContact CG-NH1 3.35Å
396	D	98.6	Very high	98.1	Very high	5 Å²	5	25.3 Å²	25.3	3%	0.027	13%	0.127	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-49	172.2	-153.1	-87.7	0	0	0	110.4	V250 D252 F394 G398 G424 R425 A426	V250-D396 HydrophobicContact CG1-CB 4.17Å; D252-D396 WeakPolarHBondContact OD2-CA 3.41Å; D252-D396 VanDerWaalsContact OD2-CB 3.26Å; D252-D396 WeakPolarHBondContact OD2-CB 3.41Å; D252-D396 PolarHBondContact OD2-N 3.49Å; F394-D396 VanDerWaalsContact C-N 3.3Å; F394-D396 PolarHBondContact O-N 2.94Å; D396-G398 VanDerWaalsContact C-N 3.3Å; D396-G398 PolarHBondContact O-N 3.43Å; D396-G424 CarbonylContact O-C 3.38Å; D396-G424 VanDerWaalsContact O-CA 3.28Å; D396-G424 WeakPolarHBondContact O-CA 3.36Å; D396-R425 PolarHBondContact O-N 3.03Å; D396-R425 PolarHBondContact OD1-N 2.94Å; D396-R425 IonicContact OD2-CZ 3.14Å; D396-R425 IonicContact OD2-NE 3.87Å; D396-R425 PolarHBondContact OD2-NE 3Å; D396-R425 VanDerWaalsContact OD2-NE 3.16Å; D396-R425 IonicContact OD2-NH2 3.39Å; D396-R425 PolarHBondContact OD2-NH2 3.01Å; D396-A426 PolarHBondContact OD1-N 3.02Å; D396-A426 VanDerWaalsContact OD1-N 3.13Å; D396-A426 WeakPolarHBondContact OD2-CB 3.5Å; D396-A426 PolarHBondContact OD2-N 3.35Å
397	W	98.8	Very high	98.1	Very high	3 Å²	3	23.1 Å²	23.1	1%	0.011	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-30.5	179.8	-159.1	16.4	0	0	0	113.1	D252 Y256 V259 F296 T300 V309 I311 F394 V399	D252-W397 PolarHBondContact OD2-N 3.06Å; Y256-W397 PolarHBondContact O-NE1 3.47Å; V259-W397 HydrophobicContact CG2-CH2 4.16Å; F296-W397 HydrophobicContact CD2-CE3 4.28Å; F296-W397 HydrophobicContact CD2-CZ3 4.23Å; F296-W397 HydrophobicContact CE2-CD2 4.23Å; F296-W397 AromaticContact CE2-CE3 3.7Å; F296-W397 HydrophobicContact CE2-CE3 3.7Å; F296-W397 AromaticContact CE2-CH2 3.95Å; F296-W397 HydrophobicContact CE2-CH2 3.95Å; F296-W397 HydrophobicContact CE2-CZ2 4.44Å; F296-W397 AromaticContact CE2-CZ3 3.55Å; F296-W397 HydrophobicContact CE2-CZ3 3.55Å; F296-W397 HydrophobicContact CZ-CH2 4.49Å; F296-W397 HydrophobicContact CZ-CZ3 4.49Å; T300-W397 HydrophobicContact CG2-CZ3 3.94Å; V309-W397 HydrophobicContact CG1-CH2 3.93Å; V309-W397 HydrophobicContact CG1-CZ3 4.48Å; I311-W397 HydrophobicContact CB-CH2 4.2Å; I311-W397 HydrophobicContact CB-CZ2 3.88Å; I311-W397 HydrophobicContact CD1-CH2 4.15Å; I311-W397 HydrophobicContact CD1-CZ2 4.29Å; I311-W397 HydrophobicContact CG2-CH2 4.46Å; I311-W397 HydrophobicContact CG2-CZ2 3.69Å; F394-W397 HydrophobicContact CB-CB 3.81Å; F394-W397 HydrophobicContact CB-CE3 4.41Å; F394-W397 HydrophobicContact CD2-CE3 4.09Å; F394-W397 HydrophobicContact CG-CE3 4.24Å; W397-V399 HydrophobicContact CB-CG2 4.32Å; W397-V399 HydrophobicContact CD2-CB 4.01Å; W397-V399 HydrophobicContact CD2-CG2 3.44Å; W397-V399 VanDerWaalsContact CD2-CG2 3.44Å; W397-V399 HydrophobicContact CE3-CB 3.64Å; W397-V399 HydrophobicContact CE3-CG1 4.14Å; W397-V399 HydrophobicContact CE3-CG2 3.56Å; W397-V399 HydrophobicContact CG-CB 4.42Å; W397-V399 HydrophobicContact CG-CG2 3.79Å; W397-V399 HydrophobicContact CH2-CG2 4.34Å; W397-V399 HydrophobicContact CZ2-CG2 4.25Å; W397-V399 HydrophobicContact CZ3-CB 4.09Å; W397-V399 HydrophobicContact CZ3-CG1 4.08Å; W397-V399 HydrophobicContact CZ3-CG2 4.01Å
398	G	98.6	Very high	98.1	Very high	3 Å²	3	25.4 Å²	25.4	3%	0.031	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	32.2	-174.2	0	0	0	0	0	113.5	F394 D396 S419	F394-G398 WeakPolarHBondContact O-CA 3.43Å; F394-G398 PolarHBondContact O-N 2.69Å; D396-G398 VanDerWaalsContact C-N 3.3Å; D396-G398 PolarHBondContact O-N 3.43Å; G398-S419 CarbonylContact O-C 3.52Å; G398-S419 PolarHBondContact O-N 3.19Å
399	V	98.9	Very high	98	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131	-177.3	177	0	0	0	0	111	I311 Y393 F394 W397 T401 F417 K418	I311-V399 HydrophobicContact CD1-CG1 3.87Å; I311-V399 HydrophobicContact CD1-CG2 3.82Å; Y393-V399 WeakPolarHBondContact CD2-O 3.36Å; F394-V399 HydrophobicContact CB-CB 4.49Å; F394-V399 HydrophobicContact CD2-CB 4.28Å; F394-V399 HydrophobicContact CD2-CG1 4.45Å; F394-V399 PolarHBondContact N-O 3.39Å; F394-V399 PolarHBondContact O-N 3.29Å; W397-V399 HydrophobicContact CB-CG2 4.32Å; W397-V399 HydrophobicContact CD2-CB 4.01Å; W397-V399 HydrophobicContact CD2-CG2 3.44Å; W397-V399 VanDerWaalsContact CD2-CG2 3.44Å; W397-V399 HydrophobicContact CE3-CB 3.64Å; W397-V399 HydrophobicContact CE3-CG1 4.14Å; W397-V399 HydrophobicContact CE3-CG2 3.56Å; W397-V399 HydrophobicContact CG-CB 4.42Å; W397-V399 HydrophobicContact CG-CG2 3.79Å; W397-V399 HydrophobicContact CH2-CG2 4.34Å; W397-V399 HydrophobicContact CZ2-CG2 4.25Å; W397-V399 HydrophobicContact CZ3-CB 4.09Å; W397-V399 HydrophobicContact CZ3-CG1 4.08Å; W397-V399 HydrophobicContact CZ3-CG2 4.01Å; V399-T401 HydrophobicContact CG1-CG2 4.12Å; V399-F417 CarbonylContact C-O 3Å; V399-F417 WeakPolarHBondContact CA-O 3.31Å; V399-K418 HydrophobicContact CG2-CB 4.09Å; V399-K418 HydrophobicContact CG2-CD 4.45Å; V399-K418 HydrophobicContact CG2-CG 3.85Å
400	V	98.9	Very high	98	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	138.9	168.3	-176.1	0	0	0	0	108.7	L391 H392 Y393 S416 F417 V525 A528 I537	L391-V400 HydrophobicContact CD1-CG1 4.05Å; L391-V400 HydrophobicContact CD2-CG1 4.32Å; L391-V400 HydrophobicContact CG-CG1 4Å; H392-V400 CarbonylContact O-C 3.49Å; H392-V400 WeakPolarHBondContact O-CA 3.37Å; Y393-V400 HydrophobicContact CD2-CG2 3.63Å; Y393-V400 HydrophobicContact CE2-CG2 4.36Å; Y393-V400 HydrophobicContact CG-CG2 4.37Å; V400-S416 CarbonylContact O-C 3.53Å; V400-S416 WeakPolarHBondContact O-CA 3.49Å; V400-F417 HydrophobicContact CB-CB 4.42Å; V400-F417 PolarHBondContact N-O 3.46Å; V400-F417 PolarHBondContact O-N 3.03Å; V400-V525 HydrophobicContact CG2-CG1 3.77Å; V400-V525 HydrophobicContact CG2-CG2 4.14Å; V400-A528 HydrophobicContact CG1-CB 4.13Å; V400-A528 HydrophobicContact CG2-CB 3.78Å; V400-I537 HydrophobicContact CB-CD1 4.12Å; V400-I537 HydrophobicContact CG1-CD1 3.63Å; V400-I537 HydrophobicContact CG1-CG1 4.13Å; V400-I537 HydrophobicContact CG2-CG2 4.28Å
401	T	98.9	Very high	98	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	149.2	170.7	58.1	0	0	0	0	109.8	R299 L391 H392 F394 V399 F414 L415	R299-T401 WeakPolarHBondContact O-CB 3.43Å; R299-T401 WeakPolarHBondContact O-CG2 3.33Å; R299-T401 PolarHBondContact O-OG1 2.99Å; R299-T401 VanDerWaalsContact O-OG1 3.11Å; L391-T401 CarbonylContact C-O 3.56Å; L391-T401 WeakPolarHBondContact CA-O 3.24Å; H392-T401 PolarHBondContact N-O 3.5Å; H392-T401 PolarHBondContact O-N 3.47Å; F394-T401 HydrophobicContact CE2-CG2 4.38Å; V399-T401 HydrophobicContact CG1-CG2 4.12Å; T401-F414 HydrophobicContact CG2-CZ 4.21Å; T401-L415 CarbonylContact C-O 3.56Å; T401-L415 WeakPolarHBondContact CA-O 3.45Å
402	Y	98.9	Very high	97.9	Very high	16 Å²	16	30.5 Å²	30.5	6%	0.063	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	132.3	173.3	174.8	-102.6	0	0	0	110	P389 K390 L391 P413 F414 L415 E530 V535 L560	P389-Y402 HydrophobicContact CB-CE1 4.05Å; P389-Y402 HydrophobicContact CB-CE2 3.84Å; P389-Y402 WeakPolarHBondContact CB-OH 3.38Å; K390-Y402 WeakPolarHBondContact O-CA 3.31Å; L391-Y402 HydrophobicContact CB-CD2 4.03Å; Y402-P413 HydrophobicContact CD1-CG 4.42Å; Y402-P413 HydrophobicContact CE1-CG 3.95Å; Y402-F414 VanDerWaalsContact O-CA 3.31Å; Y402-F414 WeakPolarHBondContact O-CA 3.48Å; Y402-L415 PolarHBondContact N-O 3.41Å; Y402-L415 PolarHBondContact O-N 3.45Å; Y402-E530 HydrophobicContact CE2-CG 4.05Å; Y402-V535 HydrophobicContact CD1-CG2 3.86Å; Y402-V535 HydrophobicContact CD2-CG2 3.7Å; Y402-V535 HydrophobicContact CE1-CG2 3.75Å; Y402-V535 HydrophobicContact CE2-CG2 3.62Å; Y402-V535 HydrophobicContact CG-CG2 3.81Å; Y402-L560 HydrophobicContact CD1-CD2 3.86Å; Y402-L560 HydrophobicContact CE1-CD2 3.63Å
403	G	98.4	Very high	97.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	76.2	29.5	175.2	0	0	0	0	0	115.1	K390 L406 P413	K390-G403 PolarHBondContact O-N 3.49Å; G403-L406 WeakPolarHBondContact O-CD1 3.27Å; G403-L406 WeakPolarHBondContact O-CG 3.43Å; G403-P413 WeakPolarHBondContact CA-O 3.43Å
404	S	98	Very high	97.9	Very high	5 Å²	5	26 Å²	26	4%	0.035	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	157.2	171	34.6	0	0	0	0	113.4	R299 V301 L406	R299-S404 VanDerWaalsContact CA-OG 3.26Å; R299-S404 WeakPolarHBondContact CA-OG 3.35Å; R299-S404 WeakPolarHBondContact O-CB 3.42Å; R299-S404 PolarHBondContact O-OG 2.84Å; R299-S404 VanDerWaalsContact O-OG 3.05Å; V301-S404 VanDerWaalsContact O-CA 3.3Å; V301-S404 WeakPolarHBondContact O-CA 3.19Å; V301-S404 WeakPolarHBondContact O-CB 3.48Å; S404-L406 PolarHBondContact O-N 3.43Å
405	A	97.9	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	53	35.1	175.8	0	0	0	0	0	114.6	Y298 V301 F305 Y386	Y298-A405 HydrophobicContact CD2-CB 3.46Å; Y298-A405 VanDerWaalsContact CD2-CB 3.46Å; Y298-A405 HydrophobicContact CE2-CB 3.21Å; Y298-A405 HydrophobicContact CG-CB 4.43Å; Y298-A405 WeakPolarHBondContact O-CB 3.27Å; V301-A405 HydrophobicContact CG1-CB 3.61Å; V301-A405 PolarHBondContact O-N 2.68Å; F305-A405 HydrophobicContact CE1-CB 3.92Å; F305-A405 HydrophobicContact CZ-CB 4.45Å; F305-A405 WeakPolarHBondContact CZ-O 3.47Å; Y386-A405 VanDerWaalsContact CD2-O 3.27Å; Y386-A405 WeakPolarHBondContact CD2-O 3.42Å; Y386-A405 WeakPolarHBondContact CE2-O 3.41Å
406	L	97.9	Very high	98	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.005	12%	0.123	C	C	.	.			trans	-91.9	159.9	173.8	-61.9	177.7	0	0	0	111.3	P303 G304 P389 G403 S404 R412	P303-L406 CarbonylContact C-O 3.49Å; P303-L406 WeakPolarHBondContact CA-O 3.18Å; P303-L406 HydrophobicContact CB-CB 4.3Å; P303-L406 HydrophobicContact CG-CB 4.27Å; G304-L406 PolarHBondContact N-O 2.76Å; P389-L406 HydrophobicContact CB-CD1 4.2Å; P389-L406 HydrophobicContact CG-CD1 3.91Å; G403-L406 WeakPolarHBondContact O-CD1 3.27Å; G403-L406 WeakPolarHBondContact O-CG 3.43Å; S404-L406 PolarHBondContact O-N 3.43Å; L406-R412 HydrophobicContact CB-CB 4.34Å; L406-R412 HydrophobicContact CD1-CB 4.1Å
407	P	97.2	Very high	98	Very high	28 Å²	28	22.7 Å²	22.7	18%	0.182	12%	0.122	C	C	.	.			trans	-57.4	147.7	158.6	-21	33.1	0	0	0	111.3	E409	P407-E409 HydrophobicContact CB-CG 3.96Å; P407-E409 PolarHBondContact O-N 2.88Å; P407-E409 VanDerWaalsContact O-N 3.11Å
408	A	95.1	Very high	98	Very high	66 Å²	66	22.6 Å²	22.6	55%	0.545	12%	0.122	S	C	.	.	S	Bend	trans	-77.8	91.9	171.5	0	0	0	0	0	109.7
409	E	95.8	Very high	98	Very high	100 Å²	100	22.5 Å²	22.5	47%	0.467	12%	0.12	S	C	.	.			trans	-138.1	161	-176.7	-67.1	170.6	-176.2	0	0	110.6	P407 N411 R412 N463	P407-E409 HydrophobicContact CB-CG 3.96Å; P407-E409 PolarHBondContact O-N 2.88Å; P407-E409 VanDerWaalsContact O-N 3.11Å; E409-N411 PolarHBondContact O-N 3.33Å; E409-R412 HydrophobicContact CB-CB 4.46Å; E409-R412 HydrophobicContact CB-CG 3.75Å; E409-R412 WeakPolarHBondContact O-CB 3.42Å; E409-R412 PolarHBondContact O-N 3.47Å; E409-R412 VanDerWaalsContact O-N 3.16Å; E409-R412 IonicContact OE2-NE 3.67Å; E409-N463 CarbonylContact O-C 3.56Å
410	I	96.6	Very high	97.9	Very high	114 Å²	114	22.7 Å²	22.7	59%	0.585	12%	0.123	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.3	139	173.2	-62.7	172.8	0	0	0	109.5	R412	I410-R412 PolarHBondContact O-N 3.38Å
411	N	96.3	Very high	97.9	Very high	66 Å²	66	25 Å²	25	35%	0.353	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	22.7	-177.7	-62	-29.6	0	0	0	114.5	E409 P413 N463 H562 P563 Q564	E409-N411 PolarHBondContact O-N 3.33Å; N411-P413 WeakPolarHBondContact O-CD 3.45Å; N411-N463 PolarHBondContact N-OD1 2.97Å; N411-H562 PolarHBondContact OD1-CE1 3.25Å; N411-H562 VanDerWaalsContact OD1-CE1 3.25Å; N411-P563 HydrophobicContact CB-CB 3.94Å; N411-P563 HydrophobicContact CB-CG 4.15Å; N411-Q564 PolarHBondContact OD1-NE2 2.87Å
412	R	97.3	Very high	97.9	Very high	73 Å²	73	25.1 Å²	25.1	28%	0.275	13%	0.133	S	C	.	.			trans	-108.6	85.6	167.3	-60	-56.3	-168.5	160.1	5.9	109.4	G387 L406 E409 I410 P462 N463 G464	G387-R412 PolarHBondContact O-NH1 2.89Å; G387-R412 PolarHBondContact O-NH2 3.06Å; L406-R412 HydrophobicContact CB-CB 4.34Å; L406-R412 HydrophobicContact CD1-CB 4.1Å; E409-R412 HydrophobicContact CB-CB 4.46Å; E409-R412 HydrophobicContact CB-CG 3.75Å; E409-R412 WeakPolarHBondContact O-CB 3.42Å; E409-R412 PolarHBondContact O-N 3.47Å; E409-R412 VanDerWaalsContact O-N 3.16Å; E409-R412 IonicContact OE2-NE 3.67Å; I410-R412 PolarHBondContact O-N 3.38Å; R412-P462 CarbonylContact C-O 3.6Å; R412-N463 CarbonylContact O-C 3.53Å; R412-G464 PolarHBondContact O-N 3.31Å; R412-G464 VanDerWaalsContact O-N 3.15Å
413	P	98	Very high	97.9	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	13%	0.131	C	C	.	.			trans	-84.3	157.1	-172.6	36.6	-34.7	0	0	0	110.9	Y402 G403 N411 F460 A461 P462 L560 P563	Y402-P413 HydrophobicContact CD1-CG 4.42Å; Y402-P413 HydrophobicContact CE1-CG 3.95Å; G403-P413 WeakPolarHBondContact CA-O 3.43Å; N411-P413 WeakPolarHBondContact O-CD 3.45Å; P413-F460 HydrophobicContact CB-CE2 4.36Å; P413-A461 CarbonylContact C-O 3.48Å; P413-A461 VanDerWaalsContact CA-O 3.3Å; P413-A461 WeakPolarHBondContact CA-O 3.35Å; P413-P462 WeakPolarHBondContact CA-O 3.5Å; P413-P462 WeakPolarHBondContact CB-O 3.33Å; P413-L560 HydrophobicContact CG-CD2 4.21Å; P413-P563 HydrophobicContact CB-CB 4.33Å; P413-P563 WeakPolarHBondContact CB-O 3.4Å; P413-P563 HydrophobicContact CG-CB 3.91Å; P413-P563 HydrophobicContact CG-CG 4.44Å
414	F	98.9	Very high	97.9	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.7	157.6	179.8	-89.7	0	0	0	110.1	L302 P303 V309 T401 Y402 F460 A461	L302-F414 HydrophobicContact CD1-CD1 3.87Å; L302-F414 HydrophobicContact CD1-CD2 4.32Å; L302-F414 HydrophobicContact CD1-CE1 3.6Å; L302-F414 HydrophobicContact CD1-CE2 4.08Å; L302-F414 HydrophobicContact CD1-CG 4.22Å; L302-F414 HydrophobicContact CD1-CZ 3.72Å; L302-F414 HydrophobicContact CD2-CD1 4.46Å; L302-F414 HydrophobicContact CG-CB 4.37Å; L302-F414 HydrophobicContact CG-CD1 3.78Å; L302-F414 HydrophobicContact CG-CD2 4.28Å; L302-F414 HydrophobicContact CG-CE1 4.07Å; L302-F414 HydrophobicContact CG-CG 3.89Å; L302-F414 HydrophobicContact CG-CZ 4.44Å; P303-F414 VanDerWaalsContact CD-CB 3.49Å; P303-F414 HydrophobicContact CG-CB 4.01Å; V309-F414 HydrophobicContact CB-CE1 4.44Å; V309-F414 HydrophobicContact CB-CZ 4.13Å; V309-F414 HydrophobicContact CG2-CE1 4.11Å; V309-F414 HydrophobicContact CG2-CZ 4.09Å; T401-F414 HydrophobicContact CG2-CZ 4.21Å; Y402-F414 VanDerWaalsContact O-CA 3.31Å; Y402-F414 WeakPolarHBondContact O-CA 3.48Å; F414-F460 WeakPolarHBondContact O-CA 3.24Å; F414-F460 WeakPolarHBondContact O-CD2 3.45Å; F414-A461 HydrophobicContact CB-CB 4.19Å; F414-A461 PolarHBondContact N-O 2.88Å; F414-A461 PolarHBondContact O-N 2.6Å
415	L	98.9	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	133.6	174	177.6	68.9	0	0	0	108.5	T401 Y402 F458 T459 F460 V535 I537 L558 L560 L566	T401-L415 CarbonylContact C-O 3.56Å; T401-L415 WeakPolarHBondContact CA-O 3.45Å; Y402-L415 PolarHBondContact N-O 3.41Å; Y402-L415 PolarHBondContact O-N 3.45Å; L415-F458 HydrophobicContact CD1-CD2 4.31Å; L415-T459 WeakPolarHBondContact CA-O 3.5Å; L415-T459 VanDerWaalsContact CD1-O 3.23Å; L415-T459 WeakPolarHBondContact CD1-O 3.4Å; L415-F460 HydrophobicContact CB-CD2 4.49Å; L415-F460 HydrophobicContact CD1-CB 4.34Å; L415-F460 HydrophobicContact CD1-CD2 4.15Å; L415-V535 HydrophobicContact CD2-CG1 4.49Å; L415-I537 HydrophobicContact CD2-CD1 3.98Å; L415-L558 HydrophobicContact CD1-CD2 3.64Å; L415-L558 HydrophobicContact CD2-CD2 4.22Å; L415-L558 HydrophobicContact CG-CD2 4.27Å; L415-L560 HydrophobicContact CD2-CB 4.49Å; L415-L566 HydrophobicContact CD1-CD1 4.39Å; L415-L566 HydrophobicContact CD1-CD2 3.83Å; L415-L566 HydrophobicContact CD2-CD1 4.37Å
416	S	98.9	Very high	97.9	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	156.4	168.6	76.5	0	0	0	0	111.7	V309 V400 F458 T459	V309-S416 VanDerWaalsContact CG2-CB 3.45Å; V309-S416 VanDerWaalsContact CG2-OG 3.3Å; V309-S416 WeakPolarHBondContact CG2-OG 3.45Å; V400-S416 CarbonylContact O-C 3.53Å; V400-S416 WeakPolarHBondContact O-CA 3.49Å; S416-F458 WeakPolarHBondContact O-CA 3.42Å; S416-F458 WeakPolarHBondContact O-CB 3.28Å; S416-T459 PolarHBondContact N-O 3.05Å; S416-T459 PolarHBondContact O-N 2.94Å; S416-T459 VanDerWaalsContact O-N 3.08Å; S416-T459 WeakPolarHBondContact OG-CB 3.4Å; S416-T459 PolarHBondContact OG-N 3.03Å; S416-T459 PolarHBondContact OG-OG1 3.48Å
417	F	98.9	Very high	97.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	130	174.4	-179.8	-99	0	0	0	110	V399 V400 N456 S457 F458 V525 I537 R556 L558	V399-F417 CarbonylContact C-O 3Å; V399-F417 WeakPolarHBondContact CA-O 3.31Å; V400-F417 HydrophobicContact CB-CB 4.42Å; V400-F417 PolarHBondContact N-O 3.46Å; V400-F417 PolarHBondContact O-N 3.03Å; F417-N456 HydrophobicContact CE2-CB 4.35Å; F417-N456 HydrophobicContact CZ-CB 4.2Å; F417-S457 CarbonylContact C-O 3.59Å; F417-S457 WeakPolarHBondContact CA-O 3.34Å; F417-S457 VanDerWaalsContact CD2-O 3.28Å; F417-S457 WeakPolarHBondContact CD2-O 3.34Å; F417-F458 HydrophobicContact CD2-CB 4.09Å; F417-V525 HydrophobicContact CD1-CG2 4.17Å; F417-V525 HydrophobicContact CE1-CG2 4.24Å; F417-I537 HydrophobicContact CB-CD1 4.19Å; F417-I537 HydrophobicContact CB-CG2 4Å; F417-I537 HydrophobicContact CD1-CG2 3.52Å; F417-I537 HydrophobicContact CE1-CG2 4.16Å; F417-I537 HydrophobicContact CG-CG2 3.77Å; F417-R556 HydrophobicContact CE2-CB 4.26Å; F417-R556 HydrophobicContact CE2-CG 3.99Å; F417-R556 HydrophobicContact CZ-CB 4.49Å; F417-L558 HydrophobicContact CD2-CD1 3.7Å; F417-L558 HydrophobicContact CD2-CD2 4.35Å; F417-L558 HydrophobicContact CE2-CD1 3.92Å
418	K	98.9	Very high	98	Very high	1 Å²	1	24.6 Å²	24.6	0%	0.004	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.1	175.5	-175	-175	-176.3	-157.7	0	110.5	I311 V399 E451 D454 N456 S457	I311-K418 HydrophobicContact CD1-CB 4.23Å; I311-K418 HydrophobicContact CG2-CD 3.8Å; V399-K418 HydrophobicContact CG2-CB 4.09Å; V399-K418 HydrophobicContact CG2-CD 4.45Å; V399-K418 HydrophobicContact CG2-CG 3.85Å; K418-E451 IonicContact NZ-OE2 3.55Å; K418-E451 PolarHBondContact NZ-OE2 2.97Å; K418-D454 WeakPolarHBondContact CD-OD1 3.36Å; K418-D454 VanDerWaalsContact CD-OD2 3.26Å; K418-D454 WeakPolarHBondContact CD-OD2 3.05Å; K418-D454 WeakPolarHBondContact CE-OD1 3.3Å; K418-D454 IonicContact NZ-OD1 3.63Å; K418-D454 PolarHBondContact NZ-OD1 3.09Å; K418-D454 IonicContact NZ-OD2 2.64Å; K418-D454 PolarHBondContact NZ-OD2 2.76Å; K418-N456 CarbonylContact O-C 3.6Å; K418-N456 WeakPolarHBondContact O-CA 3.26Å; K418-N456 PolarHBondContact O-N 3.18Å; K418-S457 PolarHBondContact N-O 3.21Å; K418-S457 PolarHBondContact O-N 2.79Å
419	S	98.8	Very high	98.1	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.007	11%	0.106	C	C	.	.			trans	-159.6	93.2	165.9	-164.7	0	0	0	0	108.2	G398 N456 G523 R524 V525 E540	G398-S419 CarbonylContact O-C 3.52Å; G398-S419 PolarHBondContact O-N 3.19Å; S419-N456 VanDerWaalsContact CB-OD1 3.28Å; S419-N456 WeakPolarHBondContact CB-OD1 3.42Å; S419-N456 PolarHBondContact OG-OD1 3.01Å; S419-G523 CarbonylContact O-C 3.59Å; S419-G523 WeakPolarHBondContact OG-CA 3.34Å; S419-R524 CarbonylContact O-C 3.58Å; S419-R524 VanDerWaalsContact O-C 3.26Å; S419-R524 WeakPolarHBondContact O-CA 3.28Å; S419-R524 PolarHBondContact O-N 2.92Å; S419-R524 PolarHBondContact OG-N 3.07Å; S419-V525 WeakPolarHBondContact O-CG2 3.1Å; S419-V525 PolarHBondContact O-N 3.31Å; S419-E540 PolarHBondContact OG-O 3.12Å
420	G	98.2	Very high	98.2	Very high	5 Å²	5	17.4 Å²	17.4	5%	0.052	8%	0.084	C	C	.	.			trans	-140.9	179.2	-167.2	0	0	0	0	0	113.5	Q455 G523	G420-Q455 PolarHBondContact O-OE1 3.34Å; G420-G523 CarbonylContact C-O 3.52Å; G420-G523 PolarHBondContact O-N 3.47Å
421	K	98.5	Very high	98.3	Very high	49 Å²	49	13 Å²	13	21%	0.213	6%	0.062	C	C	.	.	B	Isolated β-bridge	trans	-82.7	142.4	176	-71.5	177.5	166.1	-151.3	0	110.1	G423 G424 R425 Y428 D429 Q522	K421-G423 PolarHBondContact O-N 3.29Å; K421-G424 WeakPolarHBondContact O-CA 3.16Å; K421-G424 PolarHBondContact O-N 3.02Å; K421-R425 HydrophobicContact CD-CB 4.37Å; K421-R425 HydrophobicContact CD-CG 4.37Å; K421-Y428 HydrophobicContact CB-CD1 4.47Å; K421-Y428 HydrophobicContact CB-CD2 3.85Å; K421-Y428 HydrophobicContact CB-CG 3.78Å; K421-Y428 HydrophobicContact CD-CD1 3.61Å; K421-Y428 HydrophobicContact CD-CD2 4.45Å; K421-Y428 HydrophobicContact CD-CE1 4.19Å; K421-Y428 HydrophobicContact CD-CG 3.75Å; K421-Y428 HydrophobicContact CG-CD1 4.26Å; K421-Y428 HydrophobicContact CG-CD2 4.29Å; K421-Y428 HydrophobicContact CG-CG 4.06Å; K421-D429 IonicContact NZ-OD1 2.73Å; K421-D429 PolarHBondContact NZ-OD1 2.86Å; K421-Q522 HydrophobicContact CG-CB 3.99Å
422	L	98.6	Very high	98.3	Very high	2 Å²	2	13.2 Å²	13.2	1%	0.01	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	133.1	171.6	-175.9	66.8	0	0	0	110.8	G424 Y428 W443 A448 E451 T503 L511 A518 C521	L422-G424 PolarHBondContact O-N 3.42Å; L422-Y428 HydrophobicContact CB-CD2 4.46Å; L422-Y428 WeakPolarHBondContact O-CB 3.34Å; L422-W443 HydrophobicContact CB-CH2 4.31Å; L422-W443 HydrophobicContact CB-CZ2 4.43Å; L422-W443 HydrophobicContact CD2-CH2 4.08Å; L422-W443 HydrophobicContact CD2-CZ2 3.96Å; L422-W443 HydrophobicContact CG-CH2 3.91Å; L422-W443 HydrophobicContact CG-CZ2 4.21Å; L422-W443 WeakPolarHBondContact O-CH2 3.43Å; L422-A448 HydrophobicContact CD1-CB 3.79Å; L422-A448 HydrophobicContact CG-CB 3.99Å; L422-E451 HydrophobicContact CD1-CB 4.38Å; L422-T503 HydrophobicContact CD2-CG2 4.41Å; L422-L511 HydrophobicContact CD1-CD2 3.76Å; L422-A518 WeakPolarHBondContact CD2-O 3.33Å; L422-C521 HydrophobicContact CB-CB 4.37Å; L422-C521 WeakPolarHBondContact CB-O 3.34Å; L422-C521 HydrophobicContact CD2-CB 4.43Å; L422-C521 PolarHBondContact N-O 3.14Å
423	G	97.9	Very high	98.3	Very high	1 Å²	1	15.1 Å²	15.1	1%	0.01	7%	0.071	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.5	3.7	-173.6	0	0	0	0	0	114.5	Y256 K421 I427 E451	Y256-G423 VanDerWaalsContact CB-O 3.31Å; Y256-G423 WeakPolarHBondContact CB-O 3.36Å; K421-G423 PolarHBondContact O-N 3.29Å; G423-I427 VanDerWaalsContact O-CB 3.3Å; G423-I427 WeakPolarHBondContact O-CB 3.45Å; G423-I427 VanDerWaalsContact O-CD1 3.3Å; G423-I427 WeakPolarHBondContact O-CD1 3.37Å; G423-I427 WeakPolarHBondContact O-CG1 3.46Å; G423-E451 VanDerWaalsContact CA-OE1 3.28Å; G423-E451 WeakPolarHBondContact CA-OE1 3.14Å; G423-E451 PolarHBondContact N-OE1 3.26Å
424	G	98.3	Very high	98.2	Very high	1 Å²	1	18.9 Å²	18.9	1%	0.01	9%	0.092	C	C	.	.	H	α-helix	trans	76.1	161.7	-164.8	0	0	0	0	0	112.4	D396 K421 L422 A426 I427 Y428	D396-G424 CarbonylContact O-C 3.38Å; D396-G424 VanDerWaalsContact O-CA 3.28Å; D396-G424 WeakPolarHBondContact O-CA 3.36Å; K421-G424 WeakPolarHBondContact O-CA 3.16Å; K421-G424 PolarHBondContact O-N 3.02Å; L422-G424 PolarHBondContact O-N 3.42Å; G424-A426 VanDerWaalsContact C-N 3.29Å; G424-A426 PolarHBondContact O-N 3.22Å; G424-I427 PolarHBondContact O-N 3.11Å; G424-Y428 WeakPolarHBondContact O-CB 3.19Å; G424-Y428 PolarHBondContact O-N 3.25Å
425	R	98.2	Very high	98.2	Very high	15 Å²	15	19.8 Å²	19.8	6%	0.057	10%	0.095	C	C	.	.	H	α-helix	trans	-57.7	-40.6	-175.7	179.2	-160.4	64.2	-166.9	-5.8	111.7	E249 T251 E395 D396 K421 D429	E249-R425 PolarHBondContact O-NH2 3.29Å; T251-R425 PolarHBondContact OG1-NH2 2.84Å; E395-R425 VanDerWaalsContact CG-NH1 3.35Å; D396-R425 PolarHBondContact O-N 3.03Å; D396-R425 PolarHBondContact OD1-N 2.94Å; D396-R425 IonicContact OD2-CZ 3.14Å; D396-R425 IonicContact OD2-NE 3.87Å; D396-R425 PolarHBondContact OD2-NE 3Å; D396-R425 VanDerWaalsContact OD2-NE 3.16Å; D396-R425 IonicContact OD2-NH2 3.39Å; D396-R425 PolarHBondContact OD2-NH2 3.01Å; K421-R425 HydrophobicContact CD-CB 4.37Å; K421-R425 HydrophobicContact CD-CG 4.37Å; R425-D429 VanDerWaalsContact O-CB 3.23Å; R425-D429 WeakPolarHBondContact O-CB 3.3Å; R425-D429 PolarHBondContact O-N 2.89Å
426	A	98.4	Very high	98.1	Very high	3 Å²	3	19.8 Å²	19.8	3%	0.025	10%	0.095	C	C	.	.	H	α-helix	trans	-59.7	-56.3	-179.1	0	0	0	0	0	111.7	E249 V250 D396 G424 Y428 D429 I430	E249-A426 HydrophobicContact CB-CB 3.81Å; V250-A426 HydrophobicContact CG2-CB 3.72Å; D396-A426 PolarHBondContact OD1-N 3.02Å; D396-A426 VanDerWaalsContact OD1-N 3.13Å; D396-A426 WeakPolarHBondContact OD2-CB 3.5Å; D396-A426 PolarHBondContact OD2-N 3.35Å; G424-A426 VanDerWaalsContact C-N 3.29Å; G424-A426 PolarHBondContact O-N 3.22Å; A426-Y428 PolarHBondContact O-N 3.13Å; A426-D429 PolarHBondContact O-N 3.46Å; A426-I430 WeakPolarHBondContact O-CB 3.49Å; A426-I430 WeakPolarHBondContact O-CD1 3.16Å; A426-I430 WeakPolarHBondContact O-CG1 3.3Å; A426-I430 PolarHBondContact O-N 3.21Å
427	I	98.6	Very high	98	Very high	4 Å²	4	26 Å²	26	2%	0.021	12%	0.122	C	C	.	.	H	α-helix	trans	-62.1	-47.2	-178.9	-64.2	-177.2	0	0	0	110.4	L202 Y256 G423 G424 D429 I430 V431 W443 F446	L202-I427 HydrophobicContact CD1-CD1 4.35Å; L202-I427 HydrophobicContact CD1-CG1 4.48Å; Y256-I427 HydrophobicContact CD1-CD1 3.46Å; Y256-I427 VanDerWaalsContact CD1-CD1 3.46Å; Y256-I427 HydrophobicContact CE1-CD1 3.48Å; Y256-I427 VanDerWaalsContact CE1-CD1 3.48Å; Y256-I427 HydrophobicContact CG-CD1 4.19Å; G423-I427 VanDerWaalsContact O-CB 3.3Å; G423-I427 WeakPolarHBondContact O-CB 3.45Å; G423-I427 VanDerWaalsContact O-CD1 3.3Å; G423-I427 WeakPolarHBondContact O-CD1 3.37Å; G423-I427 WeakPolarHBondContact O-CG1 3.46Å; G424-I427 PolarHBondContact O-N 3.11Å; I427-D429 PolarHBondContact O-N 3.35Å; I427-I430 PolarHBondContact O-N 3.18Å; I427-V431 HydrophobicContact CG2-CG2 4.5Å; I427-V431 WeakPolarHBondContact O-CG2 3.33Å; I427-V431 PolarHBondContact O-N 3.17Å; I427-W443 HydrophobicContact CG2-CH2 4Å; I427-W443 HydrophobicContact CG2-CZ3 3.7Å; I427-F446 HydrophobicContact CB-CD1 4.41Å; I427-F446 HydrophobicContact CB-CE1 4.5Å; I427-F446 HydrophobicContact CD1-CD1 3.77Å; I427-F446 HydrophobicContact CD1-CE1 4.18Å; I427-F446 HydrophobicContact CD1-CG 4.45Å; I427-F446 HydrophobicContact CG1-CD1 3.93Å; I427-F446 HydrophobicContact CG1-CE1 3.91Å; I427-F446 HydrophobicContact CG2-CB 3.87Å; I427-F446 HydrophobicContact CG2-CD1 3.72Å; I427-F446 HydrophobicContact CG2-CD2 3.69Å; I427-F446 HydrophobicContact CG2-CE1 4.14Å; I427-F446 HydrophobicContact CG2-CE2 4.1Å; I427-F446 HydrophobicContact CG2-CG 3.47Å; I427-F446 VanDerWaalsContact CG2-CG 3.47Å; I427-F446 HydrophobicContact CG2-CZ 4.31Å
428	Y	98.2	Very high	97.9	Very high	15 Å²	15	32.2 Å²	32.2	6%	0.059	15%	0.152	C	C	.	.	H	α-helix	trans	-56.9	-50.7	178.8	-169.6	-79.9	0	0	0	111.3	K421 L422 G424 A426 I430 V431 H432 W443 D520 C521 Q522	K421-Y428 HydrophobicContact CB-CD1 4.47Å; K421-Y428 HydrophobicContact CB-CD2 3.85Å; K421-Y428 HydrophobicContact CB-CG 3.78Å; K421-Y428 HydrophobicContact CD-CD1 3.61Å; K421-Y428 HydrophobicContact CD-CD2 4.45Å; K421-Y428 HydrophobicContact CD-CE1 4.19Å; K421-Y428 HydrophobicContact CD-CG 3.75Å; K421-Y428 HydrophobicContact CG-CD1 4.26Å; K421-Y428 HydrophobicContact CG-CD2 4.29Å; K421-Y428 HydrophobicContact CG-CG 4.06Å; L422-Y428 HydrophobicContact CB-CD2 4.46Å; L422-Y428 WeakPolarHBondContact O-CB 3.34Å; G424-Y428 WeakPolarHBondContact O-CB 3.19Å; G424-Y428 PolarHBondContact O-N 3.25Å; A426-Y428 PolarHBondContact O-N 3.13Å; Y428-I430 VanDerWaalsContact C-N 3.35Å; Y428-I430 PolarHBondContact O-N 2.95Å; Y428-V431 PolarHBondContact O-N 2.74Å; Y428-H432 HydrophobicContact CD1-CB 4.37Å; Y428-H432 AromaticContact CD1-CE1 3.83Å; Y428-H432 AromaticContact CD1-CG 3.9Å; Y428-H432 AromaticContact CD1-ND1 3.36Å; Y428-H432 WeakPolarHBondContact CD1-ND1 3.13Å; Y428-H432 AromaticContact CD2-CE1 3.51Å; Y428-H432 AromaticContact CD2-ND1 3.82Å; Y428-H432 HydrophobicContact CE1-CB 4.25Å; Y428-H432 AromaticContact CE1-CD2 3.96Å; Y428-H432 AromaticContact CE1-CE1 3.65Å; Y428-H432 AromaticContact CE1-CG 3.63Å; Y428-H432 AromaticContact CE1-ND1 3.43Å; Y428-H432 WeakPolarHBondContact CE1-ND1 3.37Å; Y428-H432 AromaticContact CE1-NE2 3.97Å; Y428-H432 AromaticContact CE2-CE1 3.31Å; Y428-H432 WeakPolarHBondContact CE2-CE1 3.4Å; Y428-H432 AromaticContact CE2-ND1 3.89Å; Y428-H432 AromaticContact CE2-NE2 3.8Å; Y428-H432 AromaticContact CG-CE1 3.78Å; Y428-H432 AromaticContact CG-ND1 3.58Å; Y428-H432 AromaticContact CZ-CD2 3.95Å; Y428-H432 AromaticContact CZ-CE1 3.4Å; Y428-H432 AromaticContact CZ-ND1 3.71Å; Y428-H432 AromaticContact CZ-NE2 3.56Å; Y428-H432 WeakPolarHBondContact O-CB 3.37Å; Y428-H432 PolarHBondContact O-N 3.15Å; Y428-H432 PolarHBondContact O-ND1 3.14Å; Y428-W443 HydrophobicContact CD2-CZ2 4.45Å; Y428-D520 PolarHBondContact OH-O 3.12Å; Y428-C521 WeakPolarHBondContact CE2-O 3.41Å; Y428-Q522 HydrophobicContact CE2-CB 4.45Å
429	D	98.2	Very high	97.8	Very high	13 Å²	13	33.3 Å²	33.3	7%	0.07	16%	0.156	C	C	.	.	H	α-helix	trans	-67.2	-35.3	-179.3	-82.4	11.7	0	0	0	112	K421 R425 A426 I427 K433	K421-D429 IonicContact NZ-OD1 2.73Å; K421-D429 PolarHBondContact NZ-OD1 2.86Å; R425-D429 VanDerWaalsContact O-CB 3.23Å; R425-D429 WeakPolarHBondContact O-CB 3.3Å; R425-D429 PolarHBondContact O-N 2.89Å; A426-D429 PolarHBondContact O-N 3.46Å; I427-D429 PolarHBondContact O-N 3.35Å; D429-K433 HydrophobicContact CB-CD 4.17Å; D429-K433 WeakPolarHBondContact O-CA 3.21Å; D429-K433 WeakPolarHBondContact O-CB 3.39Å; D429-K433 WeakPolarHBondContact O-CG 3.49Å; D429-K433 PolarHBondContact O-N 2.78Å; D429-K433 IonicContact OD1-NZ 3.85Å; D429-K433 IonicContact OD2-NZ 2.77Å; D429-K433 PolarHBondContact OD2-NZ 3.14Å
430	I	98.4	Very high	97.7	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-59.8	-47.7	174.2	-74.2	164.2	0	0	0	110.7	L246 A426 I427 Y428 N434 K435 Y436 I440 F446	L246-I430 HydrophobicContact CD2-CD1 4.18Å; A426-I430 WeakPolarHBondContact O-CB 3.49Å; A426-I430 WeakPolarHBondContact O-CD1 3.16Å; A426-I430 WeakPolarHBondContact O-CG1 3.3Å; A426-I430 PolarHBondContact O-N 3.21Å; I427-I430 PolarHBondContact O-N 3.18Å; Y428-I430 VanDerWaalsContact C-N 3.35Å; Y428-I430 PolarHBondContact O-N 2.95Å; I430-N434 WeakPolarHBondContact O-CA 3.17Å; I430-N434 PolarHBondContact O-N 3.45Å; I430-N434 VanDerWaalsContact O-N 3.14Å; I430-K435 HydrophobicContact CB-CB 4.43Å; I430-K435 HydrophobicContact CG1-CB 4.27Å; I430-K435 HydrophobicContact CG1-CD 4.24Å; I430-K435 HydrophobicContact CG2-CB 4.36Å; I430-K435 PolarHBondContact O-N 2.95Å; I430-Y436 HydrophobicContact CD1-CD2 4.21Å; I430-Y436 HydrophobicContact CD1-CE2 3.89Å; I430-Y436 HydrophobicContact CG1-CD2 4.01Å; I430-Y436 HydrophobicContact CG1-CE2 3.85Å; I430-Y436 HydrophobicContact CG2-CD2 4.06Å; I430-I440 HydrophobicContact CG2-CB 4.45Å; I430-I440 HydrophobicContact CG2-CG1 4.08Å; I430-I440 HydrophobicContact CG2-CG2 4.04Å; I430-F446 HydrophobicContact CG2-CE2 3.96Å; I430-F446 HydrophobicContact CG2-CZ 3.98Å
431	V	97.4	Very high	97.6	Very high	21 Å²	21	40.8 Å²	40.8	13%	0.127	19%	0.187	C	C	.	.	H	α-helix	trans	-65.6	-54.6	178.8	168.9	0	0	0	0	111	I427 Y428 K433 N434 W443 F446	I427-V431 HydrophobicContact CG2-CG2 4.5Å; I427-V431 WeakPolarHBondContact O-CG2 3.33Å; I427-V431 PolarHBondContact O-N 3.17Å; Y428-V431 PolarHBondContact O-N 2.74Å; V431-K433 PolarHBondContact O-N 3.48Å; V431-N434 PolarHBondContact O-N 3.42Å; V431-W443 HydrophobicContact CG1-CD2 4.34Å; V431-W443 HydrophobicContact CG1-CG 4.15Å; V431-W443 HydrophobicContact CG2-CD2 4.28Å; V431-W443 HydrophobicContact CG2-CE3 4.48Å; V431-F446 HydrophobicContact CG2-CD2 3.66Å; V431-F446 HydrophobicContact CG2-CE2 3.82Å
432	H	96.6	Very high	97.3	Very high	71 Å²	71	39.6 Å²	39.6	33%	0.329	19%	0.188	S	C	.	.	H	α-helix	trans	-76.5	-25.8	-170.4	-66.8	79.9	0	0	0	113.5	Y428 W443 G519 D520	Y428-H432 HydrophobicContact CD1-CB 4.37Å; Y428-H432 AromaticContact CD1-CE1 3.83Å; Y428-H432 AromaticContact CD1-CG 3.9Å; Y428-H432 AromaticContact CD1-ND1 3.36Å; Y428-H432 WeakPolarHBondContact CD1-ND1 3.13Å; Y428-H432 AromaticContact CD2-CE1 3.51Å; Y428-H432 AromaticContact CD2-ND1 3.82Å; Y428-H432 HydrophobicContact CE1-CB 4.25Å; Y428-H432 AromaticContact CE1-CD2 3.96Å; Y428-H432 AromaticContact CE1-CE1 3.65Å; Y428-H432 AromaticContact CE1-CG 3.63Å; Y428-H432 AromaticContact CE1-ND1 3.43Å; Y428-H432 WeakPolarHBondContact CE1-ND1 3.37Å; Y428-H432 AromaticContact CE1-NE2 3.97Å; Y428-H432 AromaticContact CE2-CE1 3.31Å; Y428-H432 WeakPolarHBondContact CE2-CE1 3.4Å; Y428-H432 AromaticContact CE2-ND1 3.89Å; Y428-H432 AromaticContact CE2-NE2 3.8Å; Y428-H432 AromaticContact CG-CE1 3.78Å; Y428-H432 AromaticContact CG-ND1 3.58Å; Y428-H432 AromaticContact CZ-CD2 3.95Å; Y428-H432 AromaticContact CZ-CE1 3.4Å; Y428-H432 AromaticContact CZ-ND1 3.71Å; Y428-H432 AromaticContact CZ-NE2 3.56Å; Y428-H432 WeakPolarHBondContact O-CB 3.37Å; Y428-H432 PolarHBondContact O-N 3.15Å; Y428-H432 PolarHBondContact O-ND1 3.14Å; H432-W443 AromaticContact CE1-NE1 3.93Å; H432-G519 PolarHBondContact CE1-O 3.32Å; H432-G519 PolarHBondContact NE2-O 2.83Å; H432-D520 IonicContact CD2-OD1 3.63Å; H432-D520 PolarHBondContact CD2-OD1 3.42Å; H432-D520 IonicContact NE2-OD1 3.37Å; H432-D520 PolarHBondContact NE2-OD1 2.69Å; H432-D520 VanDerWaalsContact NE2-OD1 3.13Å
433	K	97.1	Very high	97.2	Very high	112 Å²	112	40.6 Å²	40.6	49%	0.487	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	3.6	174.6	-55.5	174.4	178.1	166.6	0	112.6	D429 V431 K435	D429-K433 HydrophobicContact CB-CD 4.17Å; D429-K433 WeakPolarHBondContact O-CA 3.21Å; D429-K433 WeakPolarHBondContact O-CB 3.39Å; D429-K433 WeakPolarHBondContact O-CG 3.49Å; D429-K433 PolarHBondContact O-N 2.78Å; D429-K433 IonicContact OD1-NZ 3.85Å; D429-K433 IonicContact OD2-NZ 2.77Å; D429-K433 PolarHBondContact OD2-NZ 3.14Å; V431-K433 PolarHBondContact O-N 3.48Å; K433-K435 HydrophobicContact CB-CD 4.46Å; K433-K435 HydrophobicContact CB-CG 4.13Å; K433-K435 PolarHBondContact O-N 3.44Å
434	N	96.6	Very high	96.9	Very high	81 Å²	81	46.1 Å²	46.1	43%	0.433	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.4	51.3	178.2	-169.2	26.5	0	0	0	112.4	I430 V431 K437	I430-N434 WeakPolarHBondContact O-CA 3.17Å; I430-N434 PolarHBondContact O-N 3.45Å; I430-N434 VanDerWaalsContact O-N 3.14Å; V431-N434 PolarHBondContact O-N 3.42Å; N434-K437 WeakPolarHBondContact ND2-CE 3.36Å; N434-K437 WeakPolarHBondContact O-CE 3.46Å; N434-K437 WeakPolarHBondContact O-CG 3.39Å
435	K	98	Very high	96.9	Very high	18 Å²	18	46.6 Å²	46.6	8%	0.078	22%	0.215	C	C	.	.			trans	-82.1	156.9	175.9	-57	177.1	66	179	0	110	E249 I430 K433 K437 V732 P733 E734	E249-K435 WeakPolarHBondContact OE1-CE 3.48Å; E249-K435 IonicContact OE1-NZ 2.71Å; E249-K435 PolarHBondContact OE1-NZ 3.42Å; E249-K435 IonicContact OE2-NZ 2.61Å; E249-K435 PolarHBondContact OE2-NZ 3.3Å; I430-K435 HydrophobicContact CB-CB 4.43Å; I430-K435 HydrophobicContact CG1-CB 4.27Å; I430-K435 HydrophobicContact CG1-CD 4.24Å; I430-K435 HydrophobicContact CG2-CB 4.36Å; I430-K435 PolarHBondContact O-N 2.95Å; K433-K435 HydrophobicContact CB-CD 4.46Å; K433-K435 HydrophobicContact CB-CG 4.13Å; K433-K435 PolarHBondContact O-N 3.44Å; K435-K437 PolarHBondContact O-N 2.86Å; K435-V732 PolarHBondContact NZ-O 3.25Å; K435-P733 PolarHBondContact NZ-O 2.73Å; K435-E734 VanDerWaalsContact CA-OE2 3.23Å; K435-E734 WeakPolarHBondContact CA-OE2 3.38Å; K435-E734 WeakPolarHBondContact CB-OE2 3.34Å
436	Y	98.3	Very high	96.8	Very high	0 Å²	0	46 Å²	46	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	55.2	47.5	179.2	-53.3	-83.1	0	0	0	113.2	V245 L246 E249 I430 E438 W439 I440 E734 V735 Y738	V245-Y436 HydrophobicContact CG1-CE1 4.12Å; L246-Y436 HydrophobicContact CD2-CD1 3.98Å; L246-Y436 HydrophobicContact CD2-CD2 3.37Å; L246-Y436 HydrophobicContact CD2-CE1 4.22Å; L246-Y436 HydrophobicContact CD2-CE2 3.65Å; L246-Y436 HydrophobicContact CD2-CG 3.56Å; E249-Y436 WeakPolarHBondContact OE1-CE2 3.37Å; E249-Y436 PolarHBondContact OE1-OH 2.97Å; I430-Y436 HydrophobicContact CD1-CD2 4.21Å; I430-Y436 HydrophobicContact CD1-CE2 3.89Å; I430-Y436 HydrophobicContact CG1-CD2 4.01Å; I430-Y436 HydrophobicContact CG1-CE2 3.85Å; I430-Y436 HydrophobicContact CG2-CD2 4.06Å; Y436-E438 PolarHBondContact O-N 3.03Å; Y436-W439 HydrophobicContact CD1-CE3 4.33Å; Y436-W439 HydrophobicContact CD1-CZ3 4.29Å; Y436-W439 PolarHBondContact O-N 3.29Å; Y436-I440 PolarHBondContact O-N 3.46Å; Y436-E734 HydrophobicContact CD1-CG 4.05Å; Y436-E734 HydrophobicContact CD2-CG 4.38Å; Y436-E734 HydrophobicContact CE1-CG 3.69Å; Y436-E734 HydrophobicContact CE2-CG 4.04Å; Y436-E734 HydrophobicContact CG-CG 4.36Å; Y436-E734 PolarHBondContact N-OE2 3.17Å; Y436-V735 HydrophobicContact CE1-CB 4.18Å; Y436-V735 VanDerWaalsContact OH-CG2 3.28Å; Y436-V735 WeakPolarHBondContact OH-CG2 3.41Å; Y436-V735 PolarHBondContact OH-N 3.31Å; Y436-Y738 AromaticContact CD1-CD1 3.86Å; Y436-Y738 HydrophobicContact CD1-CD1 3.86Å; Y436-Y738 AromaticContact CD1-CD2 3.68Å; Y436-Y738 HydrophobicContact CD1-CD2 3.68Å; Y436-Y738 HydrophobicContact CD1-CE1 4.18Å; Y436-Y738 AromaticContact CD1-CE2 3.97Å; Y436-Y738 HydrophobicContact CD1-CE2 3.97Å; Y436-Y738 AromaticContact CD1-CG 3.59Å; Y436-Y738 HydrophobicContact CD1-CG 3.59Å; Y436-Y738 HydrophobicContact CE1-CD1 4.1Å; Y436-Y738 HydrophobicContact CE1-CD2 4.37Å; Y436-Y738 AromaticContact CE1-CG 3.87Å; Y436-Y738 HydrophobicContact CE1-CG 3.87Å
437	K	96.3	Very high	96.7	Very high	131 Å²	131	46.2 Å²	46.2	57%	0.57	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-27.8	-169.4	-63.6	-179.5	-178.9	176.5	0	114.3	N434 K435 W439 Y738	N434-K437 WeakPolarHBondContact ND2-CE 3.36Å; N434-K437 WeakPolarHBondContact O-CE 3.46Å; N434-K437 WeakPolarHBondContact O-CG 3.39Å; K435-K437 PolarHBondContact O-N 2.86Å; K437-W439 PolarHBondContact O-N 3.29Å; K437-Y738 PolarHBondContact N-OH 2.8Å
438	E	96.1	Very high	96.6	Very high	131 Å²	131	46 Å²	46	61%	0.612	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-24.6	177.6	-76.5	81.3	137.6	0	0	112	Y436 Y738 V739	Y436-E438 PolarHBondContact O-N 3.03Å; E438-Y738 HydrophobicContact CB-CE2 4.26Å; E438-Y738 PolarHBondContact OE1-OH 3.3Å; E438-Y738 PolarHBondContact OE2-OH 2.99Å; E438-V739 HydrophobicContact CB-CG2 4.36Å; E438-V739 HydrophobicContact CG-CG2 4.29Å
439	W	96.9	Very high	96.4	Very high	24 Å²	24	45.3 Å²	45.3	9%	0.091	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.6	-36.7	-173.7	-54.7	-15.3	0	0	0	113.2	K242 V245 L246 Y436 K437 Y738 V739 V742	K242-W439 HydrophobicContact CB-CD2 4.37Å; K242-W439 HydrophobicContact CB-CE3 3.97Å; K242-W439 HydrophobicContact CB-CH2 4.3Å; K242-W439 HydrophobicContact CB-CZ3 3.94Å; K242-W439 HydrophobicContact CD-CD2 3.88Å; K242-W439 HydrophobicContact CD-CE3 4.3Å; K242-W439 HydrophobicContact CD-CG 4.04Å; K242-W439 HydrophobicContact CD-CZ2 4.49Å; K242-W439 HydrophobicContact CG-CD2 3.88Å; K242-W439 HydrophobicContact CG-CE3 3.93Å; K242-W439 HydrophobicContact CG-CH2 3.9Å; K242-W439 HydrophobicContact CG-CZ2 3.84Å; K242-W439 HydrophobicContact CG-CZ3 3.95Å; V245-W439 HydrophobicContact CB-CH2 4.22Å; V245-W439 HydrophobicContact CB-CZ3 4.09Å; V245-W439 HydrophobicContact CG1-CH2 4.22Å; V245-W439 HydrophobicContact CG1-CZ3 4.07Å; V245-W439 HydrophobicContact CG2-CH2 4.45Å; L246-W439 HydrophobicContact CD2-CE3 4.41Å; Y436-W439 HydrophobicContact CD1-CE3 4.33Å; Y436-W439 HydrophobicContact CD1-CZ3 4.29Å; Y436-W439 PolarHBondContact O-N 3.29Å; K437-W439 PolarHBondContact O-N 3.29Å; W439-Y738 HydrophobicContact CD2-CD2 4.1Å; W439-Y738 HydrophobicContact CD2-CE2 4.13Å; W439-Y738 AromaticContact CE2-CD2 3.77Å; W439-Y738 AromaticContact CE2-CE2 3.96Å; W439-Y738 HydrophobicContact CE3-CD2 4.11Å; W439-Y738 HydrophobicContact CE3-CE2 4.44Å; W439-Y738 AromaticContact CH2-CD2 3.57Å; W439-Y738 HydrophobicContact CH2-CD2 3.57Å; W439-Y738 HydrophobicContact CH2-CE2 4.5Å; W439-Y738 HydrophobicContact CH2-CG 4.34Å; W439-Y738 WeakPolarHBondContact CH2-O 3.48Å; W439-Y738 AromaticContact CZ2-CD2 3.53Å; W439-Y738 HydrophobicContact CZ2-CD2 3.53Å; W439-Y738 HydrophobicContact CZ2-CE2 4.18Å; W439-Y738 AromaticContact CZ3-CD2 3.85Å; W439-Y738 HydrophobicContact CZ3-CD2 3.85Å; W439-V739 HydrophobicContact CZ2-CG2 4.38Å; W439-V742 HydrophobicContact CH2-CG2 3.51Å; W439-V742 HydrophobicContact CZ2-CB 4.34Å; W439-V742 HydrophobicContact CZ2-CG2 3.68Å
440	I	97.4	Very high	96.4	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.015	21%	0.207	C	C	.	.			trans	-106.5	129.2	-167	-54.4	-57.5	0	0	0	111.4	Y201 L246 I430 Y436 N445 F446	Y201-I440 HydrophobicContact CD2-CD1 3.63Å; Y201-I440 HydrophobicContact CE2-CD1 3.65Å; L246-I440 HydrophobicContact CD1-CD1 4.01Å; L246-I440 HydrophobicContact CD2-CG1 4.48Å; I430-I440 HydrophobicContact CG2-CB 4.45Å; I430-I440 HydrophobicContact CG2-CG1 4.08Å; I430-I440 HydrophobicContact CG2-CG2 4.04Å; Y436-I440 PolarHBondContact O-N 3.46Å; I440-N445 HydrophobicContact CD1-CB 3.75Å; I440-N445 HydrophobicContact CG2-CB 4.34Å; I440-F446 HydrophobicContact CD1-CE2 4.06Å; I440-F446 HydrophobicContact CD1-CZ 3.96Å; I440-F446 HydrophobicContact CG2-CE2 3.93Å
441	K	94.8	Very high	96.3	Very high	160 Å²	160	44.8 Å²	44.8	70%	0.696	21%	0.207	S	C	*	.			trans	-126.7	62.2	177.4	-62	-177	-179.1	-178.5	0	109.7	N445	K441-N445 PolarHBondContact N-OD1 3.43Å
442	G	93.8	Very high	96.4	Very high	24 Å²	24	44.4 Å²	44.4	25%	0.247	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	65.7	-153.4	-177.2	0	0	0	0	0	113.6	R444 N445	G442-R444 PolarHBondContact O-N 3.45Å; G442-N445 PolarHBondContact O-N 3.39Å
443	W	94.8	Very high	96.5	Very high	22 Å²	22	41 Å²	41	8%	0.083	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-60	-14.3	-178	-77.1	114.9	0	0	0	114.9	L422 I427 Y428 V431 H432 N445 F446 A448 Y513 K514 G519	L422-W443 HydrophobicContact CB-CH2 4.31Å; L422-W443 HydrophobicContact CB-CZ2 4.43Å; L422-W443 HydrophobicContact CD2-CH2 4.08Å; L422-W443 HydrophobicContact CD2-CZ2 3.96Å; L422-W443 HydrophobicContact CG-CH2 3.91Å; L422-W443 HydrophobicContact CG-CZ2 4.21Å; L422-W443 WeakPolarHBondContact O-CH2 3.43Å; I427-W443 HydrophobicContact CG2-CH2 4Å; I427-W443 HydrophobicContact CG2-CZ3 3.7Å; Y428-W443 HydrophobicContact CD2-CZ2 4.45Å; V431-W443 HydrophobicContact CG1-CD2 4.34Å; V431-W443 HydrophobicContact CG1-CG 4.15Å; V431-W443 HydrophobicContact CG2-CD2 4.28Å; V431-W443 HydrophobicContact CG2-CE3 4.48Å; H432-W443 AromaticContact CE1-NE1 3.93Å; W443-N445 PolarHBondContact O-N 2.83Å; W443-N445 VanDerWaalsContact O-N 3.09Å; W443-F446 HydrophobicContact CE3-CB 4.07Å; W443-F446 HydrophobicContact CZ3-CB 4.21Å; W443-F446 PolarHBondContact O-N 3.39Å; W443-A448 HydrophobicContact CZ3-CB 4.19Å; W443-Y513 HydrophobicContact CD2-CD2 4.35Å; W443-Y513 AromaticContact CE3-CD2 3.92Å; W443-Y513 HydrophobicContact CE3-CD2 3.92Å; W443-Y513 HydrophobicContact CE3-CE2 4.5Å; W443-K514 HydrophobicContact CB-CG 4.43Å; W443-G519 PolarHBondContact NE1-O 3.2Å; W443-G519 VanDerWaalsContact NE1-O 3.1Å
444	R	93.6	Very high	96.5	Very high	118 Å²	118	35.7 Å²	35.7	45%	0.445	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-55.3	-29.2	173.5	-179.2	177.6	173.7	88.8	5.7	112.7	F199 G442	F199-R444 HydrophobicContact CD2-CG 4.43Å; F199-R444 WeakPolarHBondContact CD2-O 3.31Å; F199-R444 HydrophobicContact CE2-CG 3.99Å; F199-R444 WeakPolarHBondContact CE2-O 3.44Å; G442-R444 PolarHBondContact O-N 3.45Å
445	N	96.8	Very high	96.6	Very high	11 Å²	11	31.9 Å²	31.9	6%	0.059	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-97.5	9.9	-174.9	-70.4	106.2	0	0	0	114.6	F199 Q200 Y201 I440 K441 G442 W443	F199-N445 VanDerWaalsContact O-CA 3.31Å; F199-N445 WeakPolarHBondContact O-CA 3.37Å; F199-N445 PolarHBondContact O-ND2 2.83Å; Q200-N445 CarbonylContact C-O 3.53Å; Q200-N445 VanDerWaalsContact CA-O 3.29Å; Q200-N445 WeakPolarHBondContact CA-O 3.39Å; Y201-N445 HydrophobicContact CD2-CB 4.2Å; Y201-N445 HydrophobicContact CE2-CB 4.25Å; Y201-N445 PolarHBondContact N-O 2.88Å; I440-N445 HydrophobicContact CD1-CB 3.75Å; I440-N445 HydrophobicContact CG2-CB 4.34Å; K441-N445 PolarHBondContact N-OD1 3.43Å; G442-N445 PolarHBondContact O-N 3.39Å; W443-N445 PolarHBondContact O-N 2.83Å; W443-N445 VanDerWaalsContact O-N 3.09Å
446	F	97.5	Very high	96.7	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	14%	0.141	C	C	.	.			trans	-139.6	164	175.5	-61.7	-76.3	0	0	0	109.3	L246 I427 I430 V431 I440 W443	L246-F446 HydrophobicContact CD1-CE1 4.43Å; L246-F446 HydrophobicContact CD1-CZ 4.37Å; I427-F446 HydrophobicContact CB-CD1 4.41Å; I427-F446 HydrophobicContact CB-CE1 4.5Å; I427-F446 HydrophobicContact CD1-CD1 3.77Å; I427-F446 HydrophobicContact CD1-CE1 4.18Å; I427-F446 HydrophobicContact CD1-CG 4.45Å; I427-F446 HydrophobicContact CG1-CD1 3.93Å; I427-F446 HydrophobicContact CG1-CE1 3.91Å; I427-F446 HydrophobicContact CG2-CB 3.87Å; I427-F446 HydrophobicContact CG2-CD1 3.72Å; I427-F446 HydrophobicContact CG2-CD2 3.69Å; I427-F446 HydrophobicContact CG2-CE1 4.14Å; I427-F446 HydrophobicContact CG2-CE2 4.1Å; I427-F446 HydrophobicContact CG2-CG 3.47Å; I427-F446 VanDerWaalsContact CG2-CG 3.47Å; I427-F446 HydrophobicContact CG2-CZ 4.31Å; I430-F446 HydrophobicContact CG2-CE2 3.96Å; I430-F446 HydrophobicContact CG2-CZ 3.98Å; V431-F446 HydrophobicContact CG2-CD2 3.66Å; V431-F446 HydrophobicContact CG2-CE2 3.82Å; I440-F446 HydrophobicContact CD1-CE2 4.06Å; I440-F446 HydrophobicContact CD1-CZ 3.96Å; I440-F446 HydrophobicContact CG2-CE2 3.93Å; W443-F446 HydrophobicContact CE3-CB 4.07Å; W443-F446 HydrophobicContact CZ3-CB 4.21Å; W443-F446 PolarHBondContact O-N 3.39Å
447	N	96.1	Very high	96.7	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.043	14%	0.141	C	C	.	.			trans	-137.8	103.4	177	-174.7	-15.1	0	0	0	110.3	Q200 H203 Y256 G449 Y513	Q200-N447 HydrophobicContact CB-CB 4.41Å; Q200-N447 HydrophobicContact CG-CB 4.35Å; Q200-N447 PolarHBondContact OE1-ND2 3.29Å; H203-N447 HydrophobicContact CB-CB 4.16Å; Y256-N447 VanDerWaalsContact CE2-O 3.24Å; Y256-N447 WeakPolarHBondContact CE2-O 3.47Å; Y256-N447 PolarHBondContact OH-O 3.19Å; N447-G449 VanDerWaalsContact C-N 3.31Å; N447-G449 PolarHBondContact OD1-N 2.84Å; N447-Y513 WeakPolarHBondContact CA-OH 3.33Å; N447-Y513 WeakPolarHBondContact OD1-CE1 3.38Å; N447-Y513 PolarHBondContact OD1-OH 2.89Å
448	A	96.3	Very high	96.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	11%	0.114	C	C	.	.			trans	-94.5	18.4	179.5	0	0	0	0	0	112.9	L422 W443 H450 E451 Y513	L422-A448 HydrophobicContact CD1-CB 3.79Å; L422-A448 HydrophobicContact CG-CB 3.99Å; W443-A448 HydrophobicContact CZ3-CB 4.19Å; A448-H450 VanDerWaalsContact C-N 3.27Å; A448-H450 PolarHBondContact O-N 3.05Å; A448-E451 PolarHBondContact O-N 2.95Å; A448-Y513 HydrophobicContact CB-CD1 4.24Å; A448-Y513 HydrophobicContact CB-CD2 4.1Å; A448-Y513 HydrophobicContact CB-CG 3.84Å
449	G	94.2	Very high	97	Very high	0 Å²	0	19 Å²	19	0%	0	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-26.3	-172	0	0	0	0	0	114.5	N447 E451 K476 W510 L511	N447-G449 VanDerWaalsContact C-N 3.31Å; N447-G449 PolarHBondContact OD1-N 2.84Å; G449-E451 VanDerWaalsContact C-N 3.34Å; G449-K476 WeakPolarHBondContact O-CE 3.29Å; G449-W510 VanDerWaalsContact CA-CE3 3.41Å; G449-L511 WeakPolarHBondContact O-CB 3.42Å; G449-L511 PolarHBondContact O-N 3.19Å
450	H	96.6	Very high	97.1	Very high	3 Å²	3	17.9 Å²	17.9	1%	0.014	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-10.5	178.7	-80.6	-42.6	0	0	0	113.7	E257 Y261 A312 D313 A448 Y473 W510	E257-H450 IonicContact OE1-CD2 2.78Å; E257-H450 PolarHBondContact OE1-CD2 3.49Å; Y261-H450 HydrophobicContact CD2-CB 4.32Å; Y261-H450 AromaticContact CD2-CD2 3.94Å; Y261-H450 AromaticContact CD2-CG 3.94Å; Y261-H450 AromaticContact CE1-CD2 3.98Å; Y261-H450 AromaticContact CE1-NE2 3.69Å; Y261-H450 HydrophobicContact CE2-CB 4.46Å; Y261-H450 AromaticContact CE2-CD2 3.68Å; Y261-H450 AromaticContact CE2-CE1 3.63Å; Y261-H450 AromaticContact CE2-CG 3.69Å; Y261-H450 AromaticContact CE2-ND1 3.63Å; Y261-H450 AromaticContact CE2-NE2 3.65Å; Y261-H450 AromaticContact CZ-CD2 3.68Å; Y261-H450 AromaticContact CZ-CE1 3.48Å; Y261-H450 VanDerWaalsContact CZ-CE1 3.48Å; Y261-H450 AromaticContact CZ-ND1 3.98Å; Y261-H450 AromaticContact CZ-NE2 3.25Å; Y261-H450 PolarHBondContact OH-CE1 2.87Å; Y261-H450 PolarHBondContact OH-NE2 3.34Å; A312-H450 WeakPolarHBondContact CB-O 3.44Å; D313-H450 HydrophobicContact CB-CB 4.19Å; D313-H450 PolarHBondContact N-O 3.35Å; D313-H450 IonicContact OD2-CE1 3.36Å; D313-H450 IonicContact OD2-CG 4Å; D313-H450 IonicContact OD2-ND1 3.4Å; D313-H450 PolarHBondContact OD2-ND1 2.75Å; A448-H450 VanDerWaalsContact C-N 3.27Å; A448-H450 PolarHBondContact O-N 3.05Å; H450-Y473 PolarHBondContact CE1-OH 2.64Å; H450-W510 HydrophobicContact CB-CZ3 4.4Å; H450-W510 AromaticContact CD2-CH2 3.79Å; H450-W510 AromaticContact CD2-CZ3 3.42Å; H450-W510 VanDerWaalsContact CD2-CZ3 3.42Å; H450-W510 WeakPolarHBondContact CD2-CZ3 3.33Å; H450-W510 AromaticContact CE1-CH2 3.53Å; H450-W510 AromaticContact CE1-CZ3 3.29Å; H450-W510 WeakPolarHBondContact CE1-CZ3 3.32Å; H450-W510 AromaticContact CG-CZ3 3.54Å; H450-W510 AromaticContact ND1-CZ3 3.49Å; H450-W510 WeakPolarHBondContact ND1-CZ3 3.18Å; H450-W510 AromaticContact NE2-CH2 3.25Å; H450-W510 WeakPolarHBondContact NE2-CH2 3.29Å; H450-W510 AromaticContact NE2-CZ3 3.27Å; H450-W510 VanDerWaalsContact NE2-CZ3 3.27Å; H450-W510 WeakPolarHBondContact NE2-CZ3 3.3Å
451	E	98.3	Very high	97.1	Very high	2 Å²	2	17.8 Å²	17.8	1%	0.009	8%	0.083	C	C	.	.			trans	-69.3	166	170.7	-74.5	-153.6	-123.7	0	0	111.9	Y256 K418 L422 G423 A448 G449 K476 L511	Y256-E451 HydrophobicContact CD2-CG 4.19Å; K418-E451 IonicContact NZ-OE2 3.55Å; K418-E451 PolarHBondContact NZ-OE2 2.97Å; L422-E451 HydrophobicContact CD1-CB 4.38Å; G423-E451 VanDerWaalsContact CA-OE1 3.28Å; G423-E451 WeakPolarHBondContact CA-OE1 3.14Å; G423-E451 PolarHBondContact N-OE1 3.26Å; A448-E451 PolarHBondContact O-N 2.95Å; G449-E451 VanDerWaalsContact C-N 3.34Å; E451-K476 WeakPolarHBondContact O-CD 3.32Å; E451-K476 WeakPolarHBondContact O-CE 3.34Å; E451-L511 HydrophobicContact CB-CD2 3.74Å; E451-L511 WeakPolarHBondContact O-CB 3.18Å
452	H	98.3	Very high	97.3	Very high	12 Å²	12	10.2 Å²	10.2	6%	0.056	5%	0.049	C	C	.	.			trans	-116.2	159.3	179.4	-70.9	172.5	0	0	0	111.6	A312 D313 D454 L472 N481	A312-H452 PolarHBondContact O-CE1 3.36Å; A312-H452 VanDerWaalsContact O-CE1 3.22Å; D313-H452 PolarHBondContact N-NE2 3Å; D313-H452 IonicContact OD1-CD2 3.7Å; D313-H452 IonicContact OD1-CE1 3.39Å; D313-H452 IonicContact OD1-NE2 3.07Å; D313-H452 PolarHBondContact OD1-NE2 3.42Å; H452-D454 HydrophobicContact CB-CB 3.88Å; H452-D454 PolarHBondContact O-N 2.82Å; H452-L472 PolarHBondContact CE1-O 2.97Å; H452-N481 PolarHBondContact ND1-OD1 2.69Å
453	P	98.1	Very high	97.5	Very high	0 Å²	0	9.4 Å²	9.4	0%	0	4%	0.04	C	C	.	.	S	Bend	trans	-73.1	66.5	165.8	30.9	-34	0	0	0	111.1	Y477 N481 Q501 L511	P453-Y477 VanDerWaalsContact CG-C 3.44Å; P453-N481 PolarHBondContact O-ND2 3.36Å; P453-Q501 HydrophobicContact CB-CB 3.92Å; P453-Q501 PolarHBondContact O-OE1 2.91Å; P453-L511 HydrophobicContact CG-CD1 4.47Å
454	D	98.7	Very high	97.6	Very high	0 Å²	0	9 Å²	9	0%	0	4%	0.042	C	C	.	.			trans	-122.5	16.5	-162.9	64.9	-1	0	0	0	114	K418 H452 N456 S457 N481	K418-D454 WeakPolarHBondContact CD-OD1 3.36Å; K418-D454 VanDerWaalsContact CD-OD2 3.26Å; K418-D454 WeakPolarHBondContact CD-OD2 3.05Å; K418-D454 WeakPolarHBondContact CE-OD1 3.3Å; K418-D454 IonicContact NZ-OD1 3.63Å; K418-D454 PolarHBondContact NZ-OD1 3.09Å; K418-D454 IonicContact NZ-OD2 2.64Å; K418-D454 PolarHBondContact NZ-OD2 2.76Å; H452-D454 HydrophobicContact CB-CB 3.88Å; H452-D454 PolarHBondContact O-N 2.82Å; D454-N456 PolarHBondContact O-N 2.88Å; D454-S457 WeakPolarHBondContact O-CB 3.2Å; D454-S457 PolarHBondContact O-N 3.35Å; D454-S457 PolarHBondContact O-OG 3.36Å; D454-N481 HydrophobicContact CB-CB 3.93Å; D454-N481 WeakPolarHBondContact CB-OD1 3.07Å
455	Q	98.8	Very high	97.8	Very high	2 Å²	2	4.1 Å²	4.1	1%	0.009	3%	0.025	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	134.5	-179.3	-51.4	-54.6	-35.1	0	0	110.5	G420 S457 V483 Q501 A544	G420-Q455 PolarHBondContact O-OE1 3.34Å; Q455-S457 VanDerWaalsContact C-N 3.34Å; Q455-V483 WeakPolarHBondContact O-CG1 3.37Å; Q455-Q501 PolarHBondContact O-NE2 3.13Å; Q455-A544 HydrophobicContact CB-CB 3.72Å; Q455-A544 HydrophobicContact CG-CB 3.77Å
456	N	98.8	Very high	97.8	Very high	1 Å²	1	5 Å²	5	1%	0.005	3%	0.032	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.4	17.6	-165.4	-68.1	-9	0	0	0	115.4	F417 K418 S419 D454 G541 L554 R556	F417-N456 HydrophobicContact CE2-CB 4.35Å; F417-N456 HydrophobicContact CZ-CB 4.2Å; K418-N456 CarbonylContact O-C 3.6Å; K418-N456 WeakPolarHBondContact O-CA 3.26Å; K418-N456 PolarHBondContact O-N 3.18Å; S419-N456 VanDerWaalsContact CB-OD1 3.28Å; S419-N456 WeakPolarHBondContact CB-OD1 3.42Å; S419-N456 PolarHBondContact OG-OD1 3.01Å; D454-N456 PolarHBondContact O-N 2.88Å; N456-G541 WeakPolarHBondContact ND2-CA 3.05Å; N456-G541 PolarHBondContact ND2-N 3.48Å; N456-L554 PolarHBondContact ND2-O 2.94Å; N456-R556 HydrophobicContact CB-CB 4.28Å; N456-R556 VanDerWaalsContact O-CD 3.24Å; N456-R556 WeakPolarHBondContact O-CD 3.42Å; N456-R556 PolarHBondContact O-NH1 3.27Å
457	S	98.9	Very high	97.9	Very high	0 Å²	0	5 Å²	5	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	159.2	171.1	81.1	0	0	0	0	112	F417 K418 D454 Q455 E470 N482	F417-S457 CarbonylContact C-O 3.59Å; F417-S457 WeakPolarHBondContact CA-O 3.34Å; F417-S457 VanDerWaalsContact CD2-O 3.28Å; F417-S457 WeakPolarHBondContact CD2-O 3.34Å; K418-S457 PolarHBondContact N-O 3.21Å; K418-S457 PolarHBondContact O-N 2.79Å; D454-S457 WeakPolarHBondContact O-CB 3.2Å; D454-S457 PolarHBondContact O-N 3.35Å; D454-S457 PolarHBondContact O-OG 3.36Å; Q455-S457 VanDerWaalsContact C-N 3.34Å; S457-E470 PolarHBondContact OG-OE1 2.75Å; S457-N482 WeakPolarHBondContact CA-O 3.49Å
458	F	98.9	Very high	98	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	159.8	173.2	82.2	-76.6	0	0	0	110.9	L415 S416 F417 F460 I468 N482 L558 L566 L568 F587 F664	L415-F458 HydrophobicContact CD1-CD2 4.31Å; S416-F458 WeakPolarHBondContact O-CA 3.42Å; S416-F458 WeakPolarHBondContact O-CB 3.28Å; F417-F458 HydrophobicContact CD2-CB 4.09Å; F458-F460 HydrophobicContact CE2-CB 4.28Å; F458-I468 HydrophobicContact CE1-CG2 4.39Å; F458-I468 HydrophobicContact CE2-CB 4.23Å; F458-I468 HydrophobicContact CE2-CG1 4.26Å; F458-I468 HydrophobicContact CE2-CG2 4.12Å; F458-I468 HydrophobicContact CZ-CB 4.4Å; F458-I468 HydrophobicContact CZ-CG1 4.26Å; F458-I468 HydrophobicContact CZ-CG2 3.93Å; F458-N482 HydrophobicContact CD1-CB 4.31Å; F458-N482 HydrophobicContact CE1-CB 4.45Å; F458-N482 PolarHBondContact O-ND2 3.2Å; F458-L558 HydrophobicContact CB-CD2 3.77Å; F458-L558 HydrophobicContact CD2-CD2 3.91Å; F458-L558 HydrophobicContact CG-CD2 3.98Å; F458-L566 HydrophobicContact CD2-CD2 4.21Å; F458-L566 HydrophobicContact CE2-CD2 3.84Å; F458-L568 HydrophobicContact CD1-CD1 3.74Å; F458-L568 HydrophobicContact CE1-CD1 3.37Å; F458-L568 HydrophobicContact CE2-CD1 4.38Å; F458-L568 HydrophobicContact CG-CD1 4.39Å; F458-L568 HydrophobicContact CZ-CD1 3.73Å; F458-F587 AromaticContact CE1-CD1 3.84Å; F458-F587 HydrophobicContact CE1-CD1 3.84Å; F458-F587 AromaticContact CE1-CE1 3.75Å; F458-F587 HydrophobicContact CE1-CE1 3.75Å; F458-F587 AromaticContact CZ-CD1 3.96Å; F458-F587 HydrophobicContact CZ-CD1 3.96Å; F458-F587 HydrophobicContact CZ-CE1 4.03Å; F458-F664 HydrophobicContact CE2-CE2 4.36Å; F458-F664 HydrophobicContact CE2-CZ 4.31Å; F458-F664 HydrophobicContact CZ-CE1 4.1Å; F458-F664 AromaticContact CZ-CE2 3.92Å; F458-F664 HydrophobicContact CZ-CE2 3.92Å; F458-F664 AromaticContact CZ-CZ 3.57Å; F458-F664 HydrophobicContact CZ-CZ 3.57Å
459	T	98.9	Very high	98.2	Very high	7 Å²	7	5.3 Å²	5.3	4%	0.043	3%	0.034	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	154.6	168.1	71.8	0	0	0	0	110.2	L415 S416 I468 E470	L415-T459 WeakPolarHBondContact CA-O 3.5Å; L415-T459 VanDerWaalsContact CD1-O 3.23Å; L415-T459 WeakPolarHBondContact CD1-O 3.4Å; S416-T459 PolarHBondContact N-O 3.05Å; S416-T459 PolarHBondContact O-N 2.94Å; S416-T459 VanDerWaalsContact O-N 3.08Å; S416-T459 WeakPolarHBondContact OG-CB 3.4Å; S416-T459 PolarHBondContact OG-N 3.03Å; S416-T459 PolarHBondContact OG-OG1 3.48Å; T459-I468 CarbonylContact C-O 3.56Å; T459-I468 VanDerWaalsContact CA-O 3.31Å; T459-I468 WeakPolarHBondContact CA-O 3.37Å; T459-I468 VanDerWaalsContact CB-O 3.3Å; T459-I468 WeakPolarHBondContact CB-O 3.28Å; T459-E470 HydrophobicContact CG2-CG 3.74Å
460	F	98.9	Very high	98.4	Very high	1 Å²	1	5.7 Å²	5.7	0%	0.004	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	124.5	-179.8	-175	-136.3	0	0	0	111.9	P413 F414 L415 F458 P462 F467 I468 L560 L566 F664	P413-F460 HydrophobicContact CB-CE2 4.36Å; F414-F460 WeakPolarHBondContact O-CA 3.24Å; F414-F460 WeakPolarHBondContact O-CD2 3.45Å; L415-F460 HydrophobicContact CB-CD2 4.49Å; L415-F460 HydrophobicContact CD1-CB 4.34Å; L415-F460 HydrophobicContact CD1-CD2 4.15Å; F458-F460 HydrophobicContact CE2-CB 4.28Å; F460-P462 HydrophobicContact CD1-CG 4.37Å; F460-P462 HydrophobicContact CE1-CB 3.9Å; F460-P462 HydrophobicContact CE1-CG 3.93Å; F460-P462 HydrophobicContact CE2-CB 4.07Å; F460-P462 HydrophobicContact CZ-CB 3.55Å; F460-P462 HydrophobicContact CZ-CG 4.09Å; F460-F467 HydrophobicContact CD1-CD1 4.28Å; F460-F467 WeakPolarHBondContact O-CB 3.44Å; F460-F467 PolarHBondContact O-N 2.84Å; F460-I468 HydrophobicContact CB-CB 4.34Å; F460-I468 HydrophobicContact CB-CG1 4.5Å; F460-I468 PolarHBondContact N-O 3.11Å; F460-I468 PolarHBondContact O-N 3.34Å; F460-L560 HydrophobicContact CE2-CD1 3.66Å; F460-L560 HydrophobicContact CZ-CD1 3.85Å; F460-L566 HydrophobicContact CB-CD2 4.02Å; F460-L566 HydrophobicContact CD1-CB 4.1Å; F460-L566 HydrophobicContact CD1-CD2 3.88Å; F460-L566 HydrophobicContact CD2-CD2 4.13Å; F460-L566 HydrophobicContact CE1-CB 3.71Å; F460-L566 HydrophobicContact CE1-CD2 4.35Å; F460-L566 HydrophobicContact CE2-CB 4.29Å; F460-L566 HydrophobicContact CG-CD2 3.76Å; F460-L566 HydrophobicContact CZ-CB 3.81Å; F460-F664 HydrophobicContact CD1-CB 4Å; F460-F664 HydrophobicContact CE1-CB 4.01Å
461	A	98.8	Very high	98.4	Very high	2 Å²	2	5.7 Å²	5.7	2%	0.017	4%	0.037	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	79.4	175.5	0	0	0	0	0	110.9	P413 F414 N463 G464 V465	P413-A461 CarbonylContact C-O 3.48Å; P413-A461 VanDerWaalsContact CA-O 3.3Å; P413-A461 WeakPolarHBondContact CA-O 3.35Å; F414-A461 HydrophobicContact CB-CB 4.19Å; F414-A461 PolarHBondContact N-O 2.88Å; F414-A461 PolarHBondContact O-N 2.6Å; A461-N463 PolarHBondContact O-N 3Å; A461-G464 PolarHBondContact O-N 3.02Å; A461-G464 VanDerWaalsContact O-N 3.13Å; A461-V465 WeakPolarHBondContact CA-O 3.41Å; A461-V465 WeakPolarHBondContact CB-O 3.36Å
462	P	97.9	Very high	98.4	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.037	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-37.1	-168	15.7	-32.5	0	0	0	117.3	R412 P413 F460 P563 Q564 Y614	R412-P462 CarbonylContact C-O 3.6Å; P413-P462 WeakPolarHBondContact CA-O 3.5Å; P413-P462 WeakPolarHBondContact CB-O 3.33Å; F460-P462 HydrophobicContact CD1-CG 4.37Å; F460-P462 HydrophobicContact CE1-CB 3.9Å; F460-P462 HydrophobicContact CE1-CG 3.93Å; F460-P462 HydrophobicContact CE2-CB 4.07Å; F460-P462 HydrophobicContact CZ-CB 3.55Å; F460-P462 HydrophobicContact CZ-CG 4.09Å; P462-P563 WeakPolarHBondContact CA-O 3.12Å; P462-P563 WeakPolarHBondContact CB-O 3.1Å; P462-Q564 HydrophobicContact CB-CB 4.44Å; P462-Q564 HydrophobicContact CB-CG 4.19Å; P462-Y614 HydrophobicContact CB-CE1 4.38Å; P462-Y614 HydrophobicContact CG-CD1 3.63Å; P462-Y614 HydrophobicContact CG-CE1 3.42Å; P462-Y614 VanDerWaalsContact CG-CE1 3.42Å
463	N	97.3	Very high	98.3	Very high	8 Å²	8	6.7 Å²	6.7	4%	0.043	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	25.9	177.2	-63.4	-42	0	0	0	111.1	E409 N411 R412 A461 V465 Q564 Y614	E409-N463 CarbonylContact O-C 3.56Å; N411-N463 PolarHBondContact N-OD1 2.97Å; R412-N463 CarbonylContact O-C 3.53Å; A461-N463 PolarHBondContact O-N 3Å; N463-V465 HydrophobicContact CB-CG2 4.49Å; N463-V465 PolarHBondContact O-N 3.4Å; N463-Q564 VanDerWaalsContact ND2-CD 3.33Å; N463-Q564 PolarHBondContact ND2-OE1 2.91Å; N463-Q564 VanDerWaalsContact OD1-CG 3.26Å; N463-Q564 WeakPolarHBondContact OD1-CG 3.08Å; N463-Q564 PolarHBondContact OD1-NE2 2.8Å; N463-Y614 PolarHBondContact ND2-OH 2.98Å
464	G	96.8	Very high	98.1	Very high	13 Å²	13	6.8 Å²	6.8	13%	0.134	4%	0.041	C	C	.	.	S	Bend	trans	75.5	-4.7	-162.3	0	0	0	0	0	114.3	R412 A461 P466	R412-G464 PolarHBondContact O-N 3.31Å; R412-G464 VanDerWaalsContact O-N 3.15Å; A461-G464 PolarHBondContact O-N 3.02Å; A461-G464 VanDerWaalsContact O-N 3.13Å; G464-P466 WeakPolarHBondContact O-CD 3.31Å
465	V	98.1	Very high	97.9	Very high	15 Å²	15	7 Å²	7	9%	0.091	4%	0.042	C	C	.	.			trans	-80.9	119.8	174.4	178.5	0	0	0	0	109.9	A461 N463 F467 H609 Y614	A461-V465 WeakPolarHBondContact CA-O 3.41Å; A461-V465 WeakPolarHBondContact CB-O 3.36Å; N463-V465 HydrophobicContact CB-CG2 4.49Å; N463-V465 PolarHBondContact O-N 3.4Å; V465-F467 PolarHBondContact O-N 3.32Å; V465-H609 HydrophobicContact CG1-CB 4.17Å; V465-Y614 HydrophobicContact CB-CE1 4.4Å; V465-Y614 HydrophobicContact CB-CE2 4.09Å; V465-Y614 HydrophobicContact CG1-CD2 4.33Å; V465-Y614 HydrophobicContact CG1-CE2 3.71Å; V465-Y614 HydrophobicContact CG2-CE2 4.4Å; V465-Y614 WeakPolarHBondContact CG2-OH 3.24Å
466	P	98.3	Very high	97.8	Very high	30 Å²	30	6.9 Å²	6.9	20%	0.195	4%	0.042	C	C	.	.			trans	-65.2	106.9	-179.4	-19.7	32.8	0	0	0	111.6	G464 T469 N589	G464-P466 WeakPolarHBondContact O-CD 3.31Å; P466-T469 HydrophobicContact CB-CG2 3.49Å; P466-T469 VanDerWaalsContact CB-CG2 3.49Å; P466-N589 PolarHBondContact O-ND2 3.17Å
467	F	98.8	Very high	97.7	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.05	C	C	.	.	S	Bend	trans	-96.5	-61.7	178.7	179	-154.6	0	0	0	111.2	F460 V465 N589 F594 I607 Y614 K615 M616 F664	F460-F467 HydrophobicContact CD1-CD1 4.28Å; F460-F467 WeakPolarHBondContact O-CB 3.44Å; F460-F467 PolarHBondContact O-N 2.84Å; V465-F467 PolarHBondContact O-N 3.32Å; F467-N589 PolarHBondContact O-ND2 3.32Å; F467-F594 AromaticContact CE2-CE1 3.94Å; F467-F594 HydrophobicContact CE2-CE1 3.94Å; F467-I607 HydrophobicContact CD2-CD1 3.68Å; F467-I607 HydrophobicContact CD2-CG1 3.75Å; F467-I607 HydrophobicContact CE2-CD1 4.42Å; F467-I607 HydrophobicContact CE2-CG1 4.02Å; F467-Y614 HydrophobicContact CB-CD1 4.43Å; F467-Y614 HydrophobicContact CG-CD1 4.48Å; F467-Y614 HydrophobicContact CG-CG 4.45Å; F467-K615 WeakPolarHBondContact CE1-O 3.28Å; F467-K615 VanDerWaalsContact CZ-C 3.48Å; F467-K615 WeakPolarHBondContact CZ-O 3.15Å; F467-M616 HydrophobicContact CE1-CB 4.42Å; F467-M616 HydrophobicContact CZ-CB 4.01Å; F467-M616 HydrophobicContact CZ-CG 4.26Å; F467-F664 HydrophobicContact CD1-CB 4.37Å; F467-F664 HydrophobicContact CD1-CD1 4.33Å; F467-F664 HydrophobicContact CE1-CB 3.93Å; F467-F664 AromaticContact CE1-CD1 3.74Å; F467-F664 HydrophobicContact CE1-CD1 3.74Å; F467-F664 HydrophobicContact CE1-CG 4.34Å; F467-F664 HydrophobicContact CZ-CD1 4.32Å
468	I	98.9	Very high	97.7	Very high	2 Å²	2	9.1 Å²	9.1	1%	0.01	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-104.6	117.5	171	-51	-54.1	0	0	0	107.4	F458 T459 F460 F587 H588 F594 M616 F664	F458-I468 HydrophobicContact CE1-CG2 4.39Å; F458-I468 HydrophobicContact CE2-CB 4.23Å; F458-I468 HydrophobicContact CE2-CG1 4.26Å; F458-I468 HydrophobicContact CE2-CG2 4.12Å; F458-I468 HydrophobicContact CZ-CB 4.4Å; F458-I468 HydrophobicContact CZ-CG1 4.26Å; F458-I468 HydrophobicContact CZ-CG2 3.93Å; T459-I468 CarbonylContact C-O 3.56Å; T459-I468 VanDerWaalsContact CA-O 3.31Å; T459-I468 WeakPolarHBondContact CA-O 3.37Å; T459-I468 VanDerWaalsContact CB-O 3.3Å; T459-I468 WeakPolarHBondContact CB-O 3.28Å; F460-I468 HydrophobicContact CB-CB 4.34Å; F460-I468 HydrophobicContact CB-CG1 4.5Å; F460-I468 PolarHBondContact N-O 3.11Å; F460-I468 PolarHBondContact O-N 3.34Å; I468-F587 HydrophobicContact CD1-CB 4.3Å; I468-H588 CarbonylContact C-O 3.3Å; I468-H588 WeakPolarHBondContact CA-O 3.43Å; I468-F594 HydrophobicContact CD1-CE1 4.34Å; I468-F594 HydrophobicContact CD1-CZ 4.2Å; I468-M616 HydrophobicContact CD1-SD 4.33Å; I468-F664 HydrophobicContact CD1-CD1 3.97Å; I468-F664 HydrophobicContact CD1-CE1 3.74Å; I468-F664 HydrophobicContact CG1-CD1 3.78Å; I468-F664 HydrophobicContact CG1-CE1 3.69Å
469	T	98.9	Very high	97.6	Very high	14 Å²	14	10.1 Å²	10.1	9%	0.086	6%	0.055	C	C	.	.			trans	-120.8	160.9	-171.3	76.8	0	0	0	0	111.5	P466 N482 H588 N589 V590	P466-T469 HydrophobicContact CB-CG2 3.49Å; P466-T469 VanDerWaalsContact CB-CG2 3.49Å; T469-N482 PolarHBondContact O-ND2 3.31Å; T469-H588 PolarHBondContact N-O 3.19Å; T469-H588 WeakPolarHBondContact O-CB 3.46Å; T469-N589 WeakPolarHBondContact OG1-CA 3.31Å; T469-V590 PolarHBondContact OG1-N 2.86Å
470	E	98.6	Very high	97.6	Very high	7 Å²	7	10.3 Å²	10.3	3%	0.033	6%	0.055	C	C	.	.			trans	-68.2	163.1	159.3	-70	-59.9	165.2	0	0	110.7	V309 A310 I311 S457 T459	V309-E470 WeakPolarHBondContact O-CG 3.19Å; A310-E470 HydrophobicContact CB-CB 4.28Å; A310-E470 WeakPolarHBondContact O-CB 3.46Å; I311-E470 HydrophobicContact CG1-CG 4.26Å; S457-E470 PolarHBondContact OG-OE1 2.75Å; T459-E470 HydrophobicContact CG2-CG 3.74Å
471	A	97.8	Very high	97.6	Very high	4 Å²	4	10.4 Å²	10.4	3%	0.033	6%	0.056	C	C	.	.			trans	-99.3	10.1	-176.2	0	0	0	0	0	114.4	F480 Y635 T644	A471-F480 WeakPolarHBondContact CB-O 3.47Å; A471-Y635 VanDerWaalsContact CB-OH 3.24Å; A471-Y635 WeakPolarHBondContact CB-OH 3.32Å; A471-Y635 WeakPolarHBondContact O-CE2 3.36Å; A471-Y635 PolarHBondContact O-OH 3.25Å; A471-T644 HydrophobicContact CB-CG2 3.97Å
472	L	97.7	Very high	97.6	Very high	4 Å²	4	10.3 Å²	10.3	2%	0.021	6%	0.055	C	C	.	.			trans	62.8	-165.6	178.8	-48.4	179.9	0	0	0	113	A310 S314 Y316 H452 G474 V590 Y641	A310-L472 HydrophobicContact CB-CD2 3.89Å; S314-L472 CarbonylContact O-C 3.54Å; S314-L472 WeakPolarHBondContact O-CB 3.36Å; Y316-L472 HydrophobicContact CD1-CD1 4.21Å; Y316-L472 HydrophobicContact CD1-CD2 4.45Å; Y316-L472 HydrophobicContact CD2-CD1 3.92Å; Y316-L472 HydrophobicContact CE1-CD1 3.84Å; Y316-L472 HydrophobicContact CE2-CD1 3.5Å; Y316-L472 HydrophobicContact CG-CD1 4.24Å; Y316-L472 HydrophobicContact CG-CD2 4.48Å; Y316-L472 VanDerWaalsContact CZ-CD1 3.45Å; H452-L472 PolarHBondContact CE1-O 2.97Å; L472-G474 PolarHBondContact O-N 2.81Å; L472-G474 VanDerWaalsContact O-N 3.13Å; L472-V590 HydrophobicContact CD1-CG2 3.81Å; L472-V590 HydrophobicContact CG-CG2 4Å; L472-Y641 HydrophobicContact CB-CD2 4.09Å; L472-Y641 HydrophobicContact CD1-CD1 4.11Å; L472-Y641 HydrophobicContact CD1-CD2 4.07Å; L472-Y641 HydrophobicContact CD1-CE1 4.49Å; L472-Y641 HydrophobicContact CD1-CE2 4.45Å; L472-Y641 HydrophobicContact CD1-CG 3.92Å
473	Y	96.1	Very high	97.6	Very high	31 Å²	31	10.3 Å²	10.3	12%	0.122	6%	0.055	C	C	.	.	S	Bend	trans	-61.6	111.6	176.2	-159.7	-35.6	0	0	0	111.1	Y261 D313 S314 F319 H450 Y635 Y639	Y261-Y473 HydrophobicContact CE2-CD2 4.48Å; Y261-Y473 HydrophobicContact CE2-CE2 4.02Å; Y261-Y473 WeakPolarHBondContact OH-CE2 3.26Å; D313-Y473 HydrophobicContact CB-CD1 4.1Å; D313-Y473 HydrophobicContact CB-CD2 3.88Å; D313-Y473 HydrophobicContact CB-CE1 4.27Å; D313-Y473 HydrophobicContact CB-CE2 4.04Å; D313-Y473 HydrophobicContact CB-CG 3.91Å; D313-Y473 WeakPolarHBondContact OD1-CD1 3.48Å; D313-Y473 WeakPolarHBondContact OD2-CE1 3.47Å; S314-Y473 PolarHBondContact O-N 3.17Å; F319-Y473 HydrophobicContact CZ-CD2 4.43Å; H450-Y473 PolarHBondContact CE1-OH 2.64Å; Y473-Y635 WeakPolarHBondContact O-CD2 3.37Å; Y473-Y635 VanDerWaalsContact O-CE2 3.23Å; Y473-Y635 WeakPolarHBondContact O-CE2 3.29Å; Y473-Y639 AromaticContact CD1-CD1 3.52Å; Y473-Y639 HydrophobicContact CD1-CD1 3.52Å; Y473-Y639 AromaticContact CD1-CE1 3.67Å; Y473-Y639 HydrophobicContact CD1-CE1 3.67Å; Y473-Y639 AromaticContact CE1-CD1 3.85Å; Y473-Y639 HydrophobicContact CE1-CD1 3.85Å; Y473-Y639 AromaticContact CE1-CE1 3.67Å; Y473-Y639 HydrophobicContact CE1-CE1 3.67Å
474	G	94.3	Very high	97.7	Very high	1 Å²	1	10 Å²	10	1%	0.01	5%	0.053	C	C	.	.			trans	-150	-177.9	178.7	0	0	0	0	0	114.3	L472 K476 Y639	L472-G474 PolarHBondContact O-N 2.81Å; L472-G474 VanDerWaalsContact O-N 3.13Å; G474-K476 PolarHBondContact O-NZ 2.6Å; G474-Y639 WeakPolarHBondContact O-CE1 3.4Å
475	P	94.4	Very high	97.8	Very high	5 Å²	5	9.5 Å²	9.5	3%	0.032	5%	0.047	C	C	.	.			trans	-57.6	152.6	171.5	-22.4	33.7	0	0	0	112.2	Y477 F480 Y635 P636 Y639	P475-Y477 HydrophobicContact CB-CD1 4.08Å; P475-Y477 HydrophobicContact CB-CD2 3.91Å; P475-Y477 HydrophobicContact CB-CE1 3.76Å; P475-Y477 HydrophobicContact CB-CE2 3.63Å; P475-Y477 HydrophobicContact CB-CG 4.13Å; P475-Y477 HydrophobicContact CG-CE2 4.2Å; P475-Y477 PolarHBondContact O-N 3.11Å; P475-F480 HydrophobicContact CB-CD2 4.3Å; P475-F480 HydrophobicContact CB-CE2 4.01Å; P475-F480 HydrophobicContact CG-CD2 4.48Å; P475-F480 HydrophobicContact CG-CE2 3.88Å; P475-Y635 HydrophobicContact CG-CD1 4.22Å; P475-P636 VanDerWaalsContact CG-CD 3.5Å; P475-P636 HydrophobicContact CG-CG 3.89Å; P475-Y639 HydrophobicContact CG-CD2 4.5Å; P475-Y639 HydrophobicContact CG-CE2 3.88Å
476	K	96.1	Very high	97.8	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.043	C	C	.	.			trans	-86.2	56	-171.3	-56.1	-63	-176.4	-74.5	0	112.1	D313 G449 E451 G474 E504 D505 K509 L511	D313-K476 IonicContact OD1-NZ 2.64Å; D313-K476 PolarHBondContact OD1-NZ 3.09Å; D313-K476 VanDerWaalsContact OD2-CE 3.31Å; D313-K476 WeakPolarHBondContact OD2-CE 3.33Å; D313-K476 IonicContact OD2-NZ 3.56Å; D313-K476 PolarHBondContact OD2-NZ 2.78Å; G449-K476 WeakPolarHBondContact O-CE 3.29Å; E451-K476 WeakPolarHBondContact O-CD 3.32Å; E451-K476 WeakPolarHBondContact O-CE 3.34Å; G474-K476 PolarHBondContact O-NZ 2.6Å; K476-E504 WeakPolarHBondContact O-CA 3.37Å; K476-D505 PolarHBondContact O-N 3.14Å; K476-D505 VanDerWaalsContact O-N 3.16Å; K476-K509 VanDerWaalsContact CE-O 3.3Å; K476-K509 WeakPolarHBondContact CE-O 3.34Å; K476-K509 WeakPolarHBondContact CG-O 3.33Å; K476-K509 PolarHBondContact NZ-O 3.01Å; K476-L511 HydrophobicContact CB-CD1 4.13Å; K476-L511 HydrophobicContact CD-CB 4.41Å; K476-L511 HydrophobicContact CD-CD1 4.38Å; K476-L511 HydrophobicContact CG-CB 4.47Å
477	Y	97.5	Very high	97.8	Very high	47 Å²	47	8.1 Å²	8.1	18%	0.184	4%	0.039	C	C	.	.			trans	-102.7	136.7	-178.3	-53.1	-19.8	0	0	0	110.7	P453 P475 F479 F480 N481 F495 D505	P453-Y477 VanDerWaalsContact CG-C 3.44Å; P475-Y477 HydrophobicContact CB-CD1 4.08Å; P475-Y477 HydrophobicContact CB-CD2 3.91Å; P475-Y477 HydrophobicContact CB-CE1 3.76Å; P475-Y477 HydrophobicContact CB-CE2 3.63Å; P475-Y477 HydrophobicContact CB-CG 4.13Å; P475-Y477 HydrophobicContact CG-CE2 4.2Å; P475-Y477 PolarHBondContact O-N 3.11Å; Y477-F479 VanDerWaalsContact C-N 3.28Å; Y477-F479 AromaticContact CD2-CE1 3.7Å; Y477-F479 HydrophobicContact CD2-CE1 3.7Å; Y477-F479 HydrophobicContact CD2-CE2 4.46Å; Y477-F479 AromaticContact CD2-CZ 3.56Å; Y477-F479 HydrophobicContact CD2-CZ 3.56Å; Y477-F479 HydrophobicContact CE2-CZ 4.37Å; Y477-F479 HydrophobicContact CG-CE1 4.02Å; Y477-F479 HydrophobicContact CG-CZ 4.29Å; Y477-F479 PolarHBondContact O-N 3.18Å; Y477-F480 AromaticContact CD2-CD2 3.63Å; Y477-F480 HydrophobicContact CD2-CD2 3.63Å; Y477-F480 AromaticContact CD2-CE2 3.26Å; Y477-F480 HydrophobicContact CD2-CE2 3.26Å; Y477-F480 HydrophobicContact CD2-CZ 4.05Å; Y477-F480 AromaticContact CE2-CE2 3.81Å; Y477-F480 HydrophobicContact CE2-CE2 3.81Å; Y477-F480 HydrophobicContact CG-CD2 4.04Å; Y477-F480 HydrophobicContact CG-CE2 4.12Å; Y477-F480 PolarHBondContact O-N 2.98Å; Y477-F480 VanDerWaalsContact O-N 3.11Å; Y477-N481 PolarHBondContact O-ND2 3.11Å; Y477-N481 VanDerWaalsContact O-ND2 3.12Å; Y477-F495 AromaticContact CD1-CE2 3.92Å; Y477-F495 HydrophobicContact CD1-CE2 3.92Å; Y477-F495 AromaticContact CD1-CZ 3.63Å; Y477-F495 HydrophobicContact CD1-CZ 3.63Å; Y477-F495 HydrophobicContact CD2-CE1 4.44Å; Y477-F495 HydrophobicContact CD2-CE2 4.29Å; Y477-F495 AromaticContact CD2-CZ 3.63Å; Y477-F495 HydrophobicContact CD2-CZ 3.63Å; Y477-F495 AromaticContact CE1-CZ 3.93Å; Y477-F495 HydrophobicContact CE1-CZ 3.93Å; Y477-F495 HydrophobicContact CE2-CE1 4.49Å; Y477-F495 AromaticContact CE2-CZ 3.9Å; Y477-F495 HydrophobicContact CE2-CZ 3.9Å; Y477-F495 AromaticContact CG-CE2 3.77Å; Y477-F495 HydrophobicContact CG-CE2 3.77Å; Y477-F495 AromaticContact CG-CZ 3.5Å; Y477-F495 HydrophobicContact CG-CZ 3.5Å; Y477-F495 VanDerWaalsContact CG-CZ 3.5Å; Y477-D505 WeakPolarHBondContact CE1-O 3.22Å
478	T	98.3	Very high	97.8	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	5%	0.054	C	C	.	.	G	3₁₀ helix	trans	-58	-43.2	-179.9	-54.3	0	0	0	0	111	F480 N481 V483 M485 G500 Q501 E504	T478-F480 PolarHBondContact O-N 3.34Å; T478-F480 VanDerWaalsContact O-N 3.13Å; T478-N481 PolarHBondContact O-N 3.46Å; T478-V483 HydrophobicContact CG2-CG2 3.49Å; T478-V483 VanDerWaalsContact CG2-CG2 3.49Å; T478-V483 VanDerWaalsContact O-CG2 3.27Å; T478-V483 WeakPolarHBondContact O-CG2 3.29Å; T478-M485 HydrophobicContact CG2-CG 3.75Å; T478-G500 WeakPolarHBondContact OG1-CA 3.37Å; T478-Q501 HydrophobicContact CG2-CB 4.49Å; T478-Q501 HydrophobicContact CG2-CG 4.08Å; T478-Q501 PolarHBondContact OG1-N 3.3Å; T478-E504 WeakPolarHBondContact CB-OE1 3.14Å; T478-E504 PolarHBondContact N-OE1 2.94Å; T478-E504 PolarHBondContact OG1-OE1 3.49Å
479	F	97.8	Very high	97.7	Very high	22 Å²	22	11.6 Å²	11.6	10%	0.096	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-71	-4	-179	73.7	-99.3	0	0	0	115.3	Y477 M485 F495 F586 H588 Y646	Y477-F479 VanDerWaalsContact C-N 3.28Å; Y477-F479 AromaticContact CD2-CE1 3.7Å; Y477-F479 HydrophobicContact CD2-CE1 3.7Å; Y477-F479 HydrophobicContact CD2-CE2 4.46Å; Y477-F479 AromaticContact CD2-CZ 3.56Å; Y477-F479 HydrophobicContact CD2-CZ 3.56Å; Y477-F479 HydrophobicContact CE2-CZ 4.37Å; Y477-F479 HydrophobicContact CG-CE1 4.02Å; Y477-F479 HydrophobicContact CG-CZ 4.29Å; Y477-F479 PolarHBondContact O-N 3.18Å; F479-M485 HydrophobicContact CB-SD 3.83Å; F479-M485 HydrophobicContact CD1-SD 4.38Å; F479-F495 AromaticContact CD1-CD2 3.89Å; F479-F495 HydrophobicContact CD1-CD2 3.89Å; F479-F495 AromaticContact CD1-CE2 3.86Å; F479-F495 HydrophobicContact CD1-CE2 3.86Å; F479-F495 HydrophobicContact CD1-CG 4.29Å; F479-F495 HydrophobicContact CD1-CZ 4.26Å; F479-F495 AromaticContact CE1-CD1 3.9Å; F479-F495 HydrophobicContact CE1-CD1 3.9Å; F479-F495 AromaticContact CE1-CD2 3.81Å; F479-F495 HydrophobicContact CE1-CD2 3.81Å; F479-F495 AromaticContact CE1-CE1 3.61Å; F479-F495 HydrophobicContact CE1-CE1 3.61Å; F479-F495 AromaticContact CE1-CE2 3.5Å; F479-F495 HydrophobicContact CE1-CE2 3.5Å; F479-F495 HydrophobicContact CE1-CG 4.02Å; F479-F495 AromaticContact CE1-CZ 3.43Å; F479-F495 HydrophobicContact CE1-CZ 3.43Å; F479-F495 VanDerWaalsContact CE1-CZ 3.43Å; F479-F495 HydrophobicContact CZ-CE1 4.33Å; F479-F495 HydrophobicContact CZ-CZ 4.29Å; F479-F586 HydrophobicContact CB-CD1 3.86Å; F479-F586 HydrophobicContact CB-CD2 3.81Å; F479-F586 HydrophobicContact CB-CE1 3.55Å; F479-F586 HydrophobicContact CB-CE2 3.48Å; F479-F586 VanDerWaalsContact CB-CE2 3.48Å; F479-F586 HydrophobicContact CB-CG 3.99Å; F479-F586 HydrophobicContact CB-CZ 3.36Å; F479-F586 HydrophobicContact CG-CE1 4.43Å; F479-F586 HydrophobicContact CG-CZ 4.43Å; F479-H588 PolarHBondContact O-CE1 2.86Å; F479-H588 PolarHBondContact O-NE2 3.01Å; F479-Y646 HydrophobicContact CD2-CE1 4.42Å
480	F	98.2	Very high	97.4	Very high	11 Å²	11	13.3 Å²	13.3	5%	0.048	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-86.3	1.8	169.3	-75	-35.8	0	0	0	113.1	A471 P475 Y477 T478 R633 Y635 T644	A471-F480 WeakPolarHBondContact CB-O 3.47Å; P475-F480 HydrophobicContact CB-CD2 4.3Å; P475-F480 HydrophobicContact CB-CE2 4.01Å; P475-F480 HydrophobicContact CG-CD2 4.48Å; P475-F480 HydrophobicContact CG-CE2 3.88Å; Y477-F480 AromaticContact CD2-CD2 3.63Å; Y477-F480 HydrophobicContact CD2-CD2 3.63Å; Y477-F480 AromaticContact CD2-CE2 3.26Å; Y477-F480 HydrophobicContact CD2-CE2 3.26Å; Y477-F480 HydrophobicContact CD2-CZ 4.05Å; Y477-F480 AromaticContact CE2-CE2 3.81Å; Y477-F480 HydrophobicContact CE2-CE2 3.81Å; Y477-F480 HydrophobicContact CG-CD2 4.04Å; Y477-F480 HydrophobicContact CG-CE2 4.12Å; Y477-F480 PolarHBondContact O-N 2.98Å; Y477-F480 VanDerWaalsContact O-N 3.11Å; T478-F480 PolarHBondContact O-N 3.34Å; T478-F480 VanDerWaalsContact O-N 3.13Å; F480-R633 HydrophobicContact CE1-CB 3.96Å; F480-R633 HydrophobicContact CE1-CG 4.38Å; F480-R633 HydrophobicContact CZ-CB 4.38Å; F480-Y635 HydrophobicContact CD1-CE1 4.2Å; F480-Y635 AromaticContact CD2-CE1 3.83Å; F480-Y635 HydrophobicContact CD2-CE1 3.83Å; F480-Y635 HydrophobicContact CE1-CE1 4.01Å; F480-Y635 AromaticContact CE2-CD1 3.96Å; F480-Y635 HydrophobicContact CE2-CD1 3.96Å; F480-Y635 AromaticContact CE2-CE1 3.63Å; F480-Y635 HydrophobicContact CE2-CE1 3.63Å; F480-Y635 HydrophobicContact CG-CE1 4.13Å; F480-Y635 AromaticContact CZ-CD1 3.98Å; F480-Y635 HydrophobicContact CZ-CD1 3.98Å; F480-Y635 AromaticContact CZ-CE1 3.73Å; F480-Y635 HydrophobicContact CZ-CE1 3.73Å; F480-T644 HydrophobicContact CD1-CG2 3.81Å; F480-T644 HydrophobicContact CE1-CG2 4.08Å
481	N	98.8	Very high	96.9	Very high	2 Å²	2	15.4 Å²	15.4	1%	0.011	9%	0.09	C	C	.	.	S	Bend	trans	-116.9	157.2	176.7	-56	-81	0	0	0	109.6	H452 P453 D454 Y477 T478 V483	H452-N481 PolarHBondContact ND1-OD1 2.69Å; P453-N481 PolarHBondContact O-ND2 3.36Å; D454-N481 HydrophobicContact CB-CB 3.93Å; D454-N481 WeakPolarHBondContact CB-OD1 3.07Å; Y477-N481 PolarHBondContact O-ND2 3.11Å; Y477-N481 VanDerWaalsContact O-ND2 3.12Å; T478-N481 PolarHBondContact O-N 3.46Å; N481-V483 HydrophobicContact CB-CG1 4.14Å; N481-V483 HydrophobicContact CB-CG2 4.02Å; N481-V483 PolarHBondContact O-N 3.3Å
482	N	98.9	Very high	96.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-73.8	60	179.4	-60.8	-58.6	0	0	0	112.1	S457 F458 T469 R556 F586 F587 H588	S457-N482 WeakPolarHBondContact CA-O 3.49Å; F458-N482 HydrophobicContact CD1-CB 4.31Å; F458-N482 HydrophobicContact CE1-CB 4.45Å; F458-N482 PolarHBondContact O-ND2 3.2Å; T469-N482 PolarHBondContact O-ND2 3.31Å; N482-R556 PolarHBondContact O-NH1 2.94Å; N482-F586 CarbonylContact C-O 3.57Å; N482-F586 VanDerWaalsContact CA-O 3.24Å; N482-F586 WeakPolarHBondContact CA-O 3.42Å; N482-F587 WeakPolarHBondContact OD1-CA 3.43Å; N482-H588 PolarHBondContact OD1-CD2 3.39Å; N482-H588 PolarHBondContact OD1-N 2.77Å
483	V	98.9	Very high	95.7	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-134.1	-174.7	-169.6	-60.2	0	0	0	0	112	Q455 T478 N481 F586	Q455-V483 WeakPolarHBondContact O-CG1 3.37Å; T478-V483 HydrophobicContact CG2-CG2 3.49Å; T478-V483 VanDerWaalsContact CG2-CG2 3.49Å; T478-V483 VanDerWaalsContact O-CG2 3.27Å; T478-V483 WeakPolarHBondContact O-CG2 3.29Å; N481-V483 HydrophobicContact CB-CG1 4.14Å; N481-V483 HydrophobicContact CB-CG2 4.02Å; N481-V483 PolarHBondContact O-N 3.3Å; V483-F586 PolarHBondContact O-N 3.05Å
484	L	98.8	Very high	95.4	Very high	1 Å²	1	26.3 Å²	26.3	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	149.8	178.4	-58.8	93.2	0	0	0	112.6	F486 Y545 L554 I572 A583 T584	L484-F486 HydrophobicContact CB-CE2 4.32Å; L484-F486 HydrophobicContact CB-CZ 4.16Å; L484-F486 HydrophobicContact CD2-CZ 4.43Å; L484-Y545 WeakPolarHBondContact O-CE1 3.49Å; L484-Y545 PolarHBondContact O-OH 2.82Å; L484-L554 HydrophobicContact CD1-CD1 4.26Å; L484-L554 HydrophobicContact CD2-CD1 4.33Å; L484-I572 HydrophobicContact CD2-CD1 3.95Å; L484-I572 HydrophobicContact CD2-CG1 4.47Å; L484-A583 HydrophobicContact CD2-CB 4.43Å; L484-T584 CarbonylContact C-O 3.59Å; L484-T584 WeakPolarHBondContact CA-O 3.45Å
485	M	98.7	Very high	95.3	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.015	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	159.5	159.4	-61.8	-179.2	76.3	0	0	110	T478 F479 F495 W498 A583 T584 F586	T478-M485 HydrophobicContact CG2-CG 3.75Å; F479-M485 HydrophobicContact CB-SD 3.83Å; F479-M485 HydrophobicContact CD1-SD 4.38Å; M485-F495 HydrophobicContact CE-CB 4.28Å; M485-F495 HydrophobicContact CE-CD2 4.08Å; M485-W498 HydrophobicContact CB-CB 4.46Å; M485-W498 HydrophobicContact CB-CE3 4.3Å; M485-W498 HydrophobicContact CE-CB 3.82Å; M485-W498 HydrophobicContact SD-CB 4.49Å; M485-A583 CarbonylContact O-C 3.54Å; M485-A583 WeakPolarHBondContact O-CA 3.38Å; M485-T584 HydrophobicContact CB-CG2 3.74Å; M485-T584 PolarHBondContact N-O 3.46Å; M485-T584 PolarHBondContact O-N 2.89Å; M485-F586 HydrophobicContact CB-CE2 4.3Å; M485-F586 HydrophobicContact CG-CE2 3.87Å; M485-F586 HydrophobicContact SD-CE2 3.82Å; M485-F586 HydrophobicContact SD-CZ 4.21Å
486	F	98.8	Very high	95.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	152.8	-174.8	-62.2	-80.1	0	0	0	112.4	L484 W498 E499 Y545 L551 L554 I572 L580 A582 A583 L653	L484-F486 HydrophobicContact CB-CE2 4.32Å; L484-F486 HydrophobicContact CB-CZ 4.16Å; L484-F486 HydrophobicContact CD2-CZ 4.43Å; F486-W498 CarbonylContact O-C 3.29Å; F486-W498 WeakPolarHBondContact O-CA 3.42Å; F486-E499 PolarHBondContact N-O 3.46Å; F486-E499 PolarHBondContact O-N 3.23Å; F486-Y545 AromaticContact CD2-CD1 3.77Å; F486-Y545 HydrophobicContact CD2-CD1 3.77Å; F486-Y545 AromaticContact CD2-CE1 3.76Å; F486-Y545 HydrophobicContact CD2-CE1 3.76Å; F486-Y545 AromaticContact CE2-CD1 3.76Å; F486-Y545 HydrophobicContact CE2-CD1 3.76Å; F486-Y545 AromaticContact CE2-CE1 3.55Å; F486-Y545 HydrophobicContact CE2-CE1 3.55Å; F486-Y545 HydrophobicContact CE2-CE2 4.39Å; F486-Y545 HydrophobicContact CE2-CG 4.24Å; F486-Y545 AromaticContact CE2-CZ 3.89Å; F486-L551 HydrophobicContact CD1-CD2 4.49Å; F486-L551 HydrophobicContact CD2-CD1 4.11Å; F486-L551 HydrophobicContact CE1-CD2 4.07Å; F486-L551 HydrophobicContact CE2-CD1 3.75Å; F486-L551 HydrophobicContact CE2-CD2 4.47Å; F486-L551 HydrophobicContact CZ-CD1 4.11Å; F486-L551 HydrophobicContact CZ-CD2 4.07Å; F486-L554 HydrophobicContact CE2-CD2 3.92Å; F486-L554 HydrophobicContact CZ-CD1 3.78Å; F486-L554 HydrophobicContact CZ-CD2 3.88Å; F486-L554 HydrophobicContact CZ-CG 4.45Å; F486-I572 HydrophobicContact CE1-CD1 4.11Å; F486-I572 HydrophobicContact CE1-CG1 4.39Å; F486-I572 HydrophobicContact CE1-CG2 4.11Å; F486-L580 HydrophobicContact CB-CD1 3.92Å; F486-L580 HydrophobicContact CB-CD2 3.67Å; F486-L580 HydrophobicContact CB-CG 4.43Å; F486-L580 HydrophobicContact CD1-CD1 3.78Å; F486-L580 HydrophobicContact CG-CD1 3.91Å; F486-A582 WeakPolarHBondContact CA-O 3.31Å; F486-A583 HydrophobicContact CD1-CB 3.76Å; F486-A583 HydrophobicContact CE1-CB 3.74Å; F486-L653 HydrophobicContact CD1-CD1 4.32Å
487	S	98.3	Very high	95.2	Very high	16 Å²	16	36.5 Å²	36.5	11%	0.112	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	154.6	172.9	74.6	0	0	0	0	111.6	P497 L580 E581 A582	S487-P497 WeakPolarHBondContact CB-O 3.4Å; S487-L580 WeakPolarHBondContact O-CA 3.22Å; S487-E581 PolarHBondContact O-N 2.74Å; S487-A582 PolarHBondContact N-O 2.84Å; S487-A582 PolarHBondContact O-N 2.91Å; S487-A582 VanDerWaalsContact O-N 3.14Å
488	P	97.9	Very high	95.2	Very high	48 Å²	48	37 Å²	37	31%	0.312	21%	0.207	S	C	.	.	S	Bend	cis	-71.3	147.3	-9.1	30.6	-36.5	0	0	0	113.5	P497 P579	P488-P497 CarbonylContact C-O 3.59Å; P488-P579 WeakPolarHBondContact CD-O 3.25Å; P488-P579 WeakPolarHBondContact CG-O 3.45Å
489	A	96.7	Very high	95.2	Very high	27 Å²	27	37.5 Å²	37.5	22%	0.223	21%	0.21	C	C	.	.			trans	-59.8	136.8	171.2	0	0	0	0	0	111	P497 E499	A489-P497 WeakPolarHBondContact CB-O 3.33Å; A489-P497 PolarHBondContact N-O 2.83Å; A489-E499 WeakPolarHBondContact CA-OE2 3.3Å; A489-E499 HydrophobicContact CB-CB 3.76Å
490	V	94	Very high	95.2	Very high	51 Å²	51	36.6 Å²	36.6	31%	0.309	21%	0.207	S	C	.	.	S	Bend	trans	-100.3	-6.9	177.5	-60.5	0	0	0	0	112	E499 K548 L549 P579	V490-E499 WeakPolarHBondContact CG2-OE2 3.36Å; V490-E499 PolarHBondContact N-OE2 3.36Å; V490-K548 HydrophobicContact CB-CB 4.25Å; V490-K548 HydrophobicContact CG2-CB 3.55Å; V490-L549 HydrophobicContact CB-CD2 4.35Å; V490-L549 HydrophobicContact CG1-CD2 3.92Å; V490-L549 HydrophobicContact CG2-CD2 3.65Å; V490-L549 HydrophobicContact CG2-CG 4.01Å; V490-P579 HydrophobicContact CG1-CB 4.34Å; V490-P579 HydrophobicContact CG1-CG 3.4Å; V490-P579 VanDerWaalsContact CG1-CG 3.4Å
491	S	87.1	Confident	95.2	Very high	51 Å²	51	36.3 Å²	36.3	36%	0.357	21%	0.205	S	C	.	.	S	Bend	trans	-133	178.5	178.4	79.3	0	0	0	0	111.8	S493 E499	S491-S493 PolarHBondContact O-N 3.31Å; S491-E499 PolarHBondContact N-OE2 3.28Å; S491-E499 VanDerWaalsContact N-OE2 3.13Å; S491-E499 VanDerWaalsContact OG-CD 3.23Å; S491-E499 PolarHBondContact OG-OE1 3.4Å; S491-E499 PolarHBondContact OG-OE2 3.43Å
492	K	84.6	Confident	95.1	Very high	210 Å²	210	37.5 Å²	37.5	91%	0.913	21%	0.212	S	C	*	.			trans	-68.8	105.9	173.1	-177.9	-178.9	177.1	-175.8	0	108.3
493	S	86.6	Confident	94.9	Very high	20 Å²	20	37.6 Å²	37.6	14%	0.14	21%	0.212	C	C	.	.			trans	-98.4	152.7	176.6	179.3	0	0	0	0	112.3	S491 F495 W498	S491-S493 PolarHBondContact O-N 3.31Å; S493-F495 PolarHBondContact O-N 3.48Å; S493-F495 PolarHBondContact OG-N 2.99Å; S493-F495 VanDerWaalsContact OG-N 3.11Å; S493-W498 WeakPolarHBondContact CB-O 3.36Å; S493-W498 PolarHBondContact OG-O 3.28Å
494	C	88.6	Confident	94.7	Very high	38 Å²	38	38.6 Å²	38.6	26%	0.257	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-32.6	168.3	-59.9	0	0	0	0	112.4	C506	C494-C506 WeakPolarHBondContact CA-SG 3.44Å; C494-C506 HydrophobicContact CB-CB 3.6Å; C494-C506 WeakPolarHBondContact CB-SG 3.44Å; C494-C506 WeakPolarHBondContact SG-CB 3.44Å; C494-C506 PolarHBondContact SG-N 2.98Å; C494-C506 CovalentContact SG-SG 2.01Å; C494-C506 PolarHBondContact SG-SG 3.44Å
495	F	93.4	Very high	94.2	Very high	59 Å²	59	39.8 Å²	39.8	26%	0.259	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-129	39.6	-167.3	-51.3	-65	0	0	0	112.4	Y477 F479 M485 S493 W498 E504	Y477-F495 AromaticContact CD1-CE2 3.92Å; Y477-F495 HydrophobicContact CD1-CE2 3.92Å; Y477-F495 AromaticContact CD1-CZ 3.63Å; Y477-F495 HydrophobicContact CD1-CZ 3.63Å; Y477-F495 HydrophobicContact CD2-CE1 4.44Å; Y477-F495 HydrophobicContact CD2-CE2 4.29Å; Y477-F495 AromaticContact CD2-CZ 3.63Å; Y477-F495 HydrophobicContact CD2-CZ 3.63Å; Y477-F495 AromaticContact CE1-CZ 3.93Å; Y477-F495 HydrophobicContact CE1-CZ 3.93Å; Y477-F495 HydrophobicContact CE2-CE1 4.49Å; Y477-F495 AromaticContact CE2-CZ 3.9Å; Y477-F495 HydrophobicContact CE2-CZ 3.9Å; Y477-F495 AromaticContact CG-CE2 3.77Å; Y477-F495 HydrophobicContact CG-CE2 3.77Å; Y477-F495 AromaticContact CG-CZ 3.5Å; Y477-F495 HydrophobicContact CG-CZ 3.5Å; Y477-F495 VanDerWaalsContact CG-CZ 3.5Å; F479-F495 AromaticContact CD1-CD2 3.89Å; F479-F495 HydrophobicContact CD1-CD2 3.89Å; F479-F495 AromaticContact CD1-CE2 3.86Å; F479-F495 HydrophobicContact CD1-CE2 3.86Å; F479-F495 HydrophobicContact CD1-CG 4.29Å; F479-F495 HydrophobicContact CD1-CZ 4.26Å; F479-F495 AromaticContact CE1-CD1 3.9Å; F479-F495 HydrophobicContact CE1-CD1 3.9Å; F479-F495 AromaticContact CE1-CD2 3.81Å; F479-F495 HydrophobicContact CE1-CD2 3.81Å; F479-F495 AromaticContact CE1-CE1 3.61Å; F479-F495 HydrophobicContact CE1-CE1 3.61Å; F479-F495 AromaticContact CE1-CE2 3.5Å; F479-F495 HydrophobicContact CE1-CE2 3.5Å; F479-F495 HydrophobicContact CE1-CG 4.02Å; F479-F495 AromaticContact CE1-CZ 3.43Å; F479-F495 HydrophobicContact CE1-CZ 3.43Å; F479-F495 VanDerWaalsContact CE1-CZ 3.43Å; F479-F495 HydrophobicContact CZ-CE1 4.33Å; F479-F495 HydrophobicContact CZ-CZ 4.29Å; M485-F495 HydrophobicContact CE-CB 4.28Å; M485-F495 HydrophobicContact CE-CD2 4.08Å; S493-F495 PolarHBondContact O-N 3.48Å; S493-F495 PolarHBondContact OG-N 2.99Å; S493-F495 VanDerWaalsContact OG-N 3.11Å; F495-W498 CarbonylContact C-O 3.56Å; F495-W498 WeakPolarHBondContact O-CB 3.4Å; F495-W498 PolarHBondContact O-N 2.98Å; F495-E504 WeakPolarHBondContact CD2-OE2 3.42Å; F495-E504 HydrophobicContact CE2-CG 4.46Å
496	S	91.3	Very high	93.7	Very high	81 Å²	81	43 Å²	43	57%	0.566	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-47	135.7	177.6	-71.4	0	0	0	0	112.3
497	P	96.1	Very high	92.7	Very high	79 Å²	79	46.1 Å²	46.1	51%	0.513	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	cis	-83.9	5.4	10.9	35.6	-37.8	0	0	0	115.3	S487 P488 A489	S487-P497 WeakPolarHBondContact CB-O 3.4Å; P488-P497 CarbonylContact C-O 3.59Å; A489-P497 WeakPolarHBondContact CB-O 3.33Å; A489-P497 PolarHBondContact N-O 2.83Å
498	W	98.1	Very high	91.9	Very high	58 Å²	58	45.9 Å²	45.9	22%	0.22	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-84.7	139.1	-179.8	-60.9	98.8	0	0	0	111.8	M485 F486 S493 F495 A582 T584 T650	M485-W498 HydrophobicContact CB-CB 4.46Å; M485-W498 HydrophobicContact CB-CE3 4.3Å; M485-W498 HydrophobicContact CE-CB 3.82Å; M485-W498 HydrophobicContact SD-CB 4.49Å; F486-W498 CarbonylContact O-C 3.29Å; F486-W498 WeakPolarHBondContact O-CA 3.42Å; S493-W498 WeakPolarHBondContact CB-O 3.36Å; S493-W498 PolarHBondContact OG-O 3.28Å; F495-W498 CarbonylContact C-O 3.56Å; F495-W498 WeakPolarHBondContact O-CB 3.4Å; F495-W498 PolarHBondContact O-N 2.98Å; W498-A582 HydrophobicContact CH2-CB 4.13Å; W498-A582 HydrophobicContact CZ3-CB 4.44Å; W498-T584 HydrophobicContact CD2-CG2 3.84Å; W498-T584 HydrophobicContact CE3-CG2 3.4Å; W498-T584 VanDerWaalsContact CE3-CG2 3.4Å; W498-T584 HydrophobicContact CH2-CG2 3.74Å; W498-T584 HydrophobicContact CZ2-CG2 4.15Å; W498-T584 HydrophobicContact CZ3-CG2 3.36Å; W498-T650 HydrophobicContact CH2-CG2 3.95Å; W498-T650 HydrophobicContact CZ2-CG2 4.35Å
499	E	97.8	Very high	91	Very high	11 Å²	11	45.3 Å²	45.3	5%	0.051	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-118.9	127.9	171.7	-172.4	163.6	169.7	0	0	109.6	F486 A489 V490 S491 N546 L549	F486-E499 PolarHBondContact N-O 3.46Å; F486-E499 PolarHBondContact O-N 3.23Å; A489-E499 WeakPolarHBondContact CA-OE2 3.3Å; A489-E499 HydrophobicContact CB-CB 3.76Å; V490-E499 WeakPolarHBondContact CG2-OE2 3.36Å; V490-E499 PolarHBondContact N-OE2 3.36Å; S491-E499 PolarHBondContact N-OE2 3.28Å; S491-E499 VanDerWaalsContact N-OE2 3.13Å; S491-E499 VanDerWaalsContact OG-CD 3.23Å; S491-E499 PolarHBondContact OG-OE1 3.4Å; S491-E499 PolarHBondContact OG-OE2 3.43Å; E499-N546 VanDerWaalsContact OE1-CB 3.27Å; E499-N546 WeakPolarHBondContact OE1-CB 3.42Å; E499-N546 PolarHBondContact OE1-ND2 3.32Å; E499-L549 HydrophobicContact CG-CD1 4.47Å
500	G	97.4	Very high	90.5	Very high	3 Å²	3	44.5 Å²	44.5	3%	0.031	25%	0.249	C	C	.	.			trans	-95.7	-153.2	178.8	0	0	0	0	0	113.3	T478 Y545	T478-G500 WeakPolarHBondContact OG1-CA 3.37Å; G500-Y545 WeakPolarHBondContact O-CD1 3.25Å
501	Q	97.9	Very high	90.4	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.019	23%	0.234	C	C	.	.			trans	-75	152.9	176.1	-64.4	-177.5	13.8	0	0	110.9	P453 Q455 T478 T503 E504 A544 Y545	P453-Q501 HydrophobicContact CB-CB 3.92Å; P453-Q501 PolarHBondContact O-OE1 2.91Å; Q455-Q501 PolarHBondContact O-NE2 3.13Å; T478-Q501 HydrophobicContact CG2-CB 4.49Å; T478-Q501 HydrophobicContact CG2-CG 4.08Å; T478-Q501 PolarHBondContact OG1-N 3.3Å; Q501-T503 PolarHBondContact O-N 3.43Å; Q501-E504 VanDerWaalsContact O-CB 3.22Å; Q501-E504 WeakPolarHBondContact O-CB 3.34Å; Q501-E504 PolarHBondContact O-N 2.94Å; Q501-A544 CarbonylContact C-O 3.46Å; Q501-A544 WeakPolarHBondContact CA-O 3.22Å; Q501-A544 HydrophobicContact CB-CB 4.45Å; Q501-A544 VanDerWaalsContact CB-O 3.29Å; Q501-A544 WeakPolarHBondContact CB-O 3.32Å; Q501-A544 HydrophobicContact CG-CB 4.03Å; Q501-Y545 HydrophobicContact CG-CD1 4.3Å; Q501-Y545 HydrophobicContact CG-CD2 4.43Å; Q501-Y545 HydrophobicContact CG-CE1 3.78Å; Q501-Y545 HydrophobicContact CG-CE2 3.89Å; Q501-Y545 PolarHBondContact NE2-OH 3.31Å
502	I	96.6	Very high	90.6	Very high	28 Å²	28	42.6 Å²	42.6	14%	0.144	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.6	-171.9	60.2	-171.2	0	0	0	114.8	L517 A518 C521 A544 Y545 N546	I502-L517 HydrophobicContact CD1-CB 4.14Å; I502-L517 WeakPolarHBondContact CD1-O 3.3Å; I502-A518 WeakPolarHBondContact O-CB 3.5Å; I502-C521 HydrophobicContact CD1-CB 3.9Å; I502-C521 HydrophobicContact CG1-CB 3.89Å; I502-A544 WeakPolarHBondContact CG1-O 3.43Å; I502-A544 PolarHBondContact N-O 3.41Å; I502-Y545 VanDerWaalsContact CG2-C 3.48Å; I502-N546 HydrophobicContact CG2-CB 4.13Å; I502-N546 VanDerWaalsContact CG2-N 3.34Å
503	T	96.1	Very high	90.9	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.006	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.6	177.6	53.6	0	0	0	0	113.3	L422 Q501 L511 K512 A518 C521	L422-T503 HydrophobicContact CD2-CG2 4.41Å; Q501-T503 PolarHBondContact O-N 3.43Å; T503-L511 HydrophobicContact CG2-CD2 4.18Å; T503-L511 HydrophobicContact CG2-CG 4.49Å; T503-L511 WeakPolarHBondContact O-CD1 3.24Å; T503-K512 WeakPolarHBondContact CA-O 3.22Å; T503-K512 WeakPolarHBondContact CB-O 3.22Å; T503-K512 WeakPolarHBondContact CG2-O 3.22Å; T503-K512 PolarHBondContact O-N 3.11Å; T503-K512 VanDerWaalsContact O-N 3.08Å; T503-A518 HydrophobicContact CG2-CB 4.38Å; T503-C521 HydrophobicContact CG2-CB 3.48Å; T503-C521 VanDerWaalsContact CG2-CB 3.48Å
504	E	94.2	Very high	90.7	Very high	22 Å²	22	34.1 Å²	34.1	10%	0.103	19%	0.191	C	C	.	.			trans	-56.4	136.7	176.7	-178.2	168.4	-83.9	0	0	112.1	K476 T478 F495 Q501	K476-E504 WeakPolarHBondContact O-CA 3.37Å; T478-E504 WeakPolarHBondContact CB-OE1 3.14Å; T478-E504 PolarHBondContact N-OE1 2.94Å; T478-E504 PolarHBondContact OG1-OE1 3.49Å; F495-E504 WeakPolarHBondContact CD2-OE2 3.42Å; F495-E504 HydrophobicContact CE2-CG 4.46Å; Q501-E504 VanDerWaalsContact O-CB 3.22Å; Q501-E504 WeakPolarHBondContact O-CB 3.34Å; Q501-E504 PolarHBondContact O-N 2.94Å
505	D	88.9	Confident	90.3	Very high	25 Å²	25	37.2 Å²	37.2	13%	0.134	20%	0.201	C	C	.	.			trans	-135.7	125.5	175.2	-163.8	-23	0	0	0	110.9	K476 Y477 S507 S508 K512	K476-D505 PolarHBondContact O-N 3.14Å; K476-D505 VanDerWaalsContact O-N 3.16Å; Y477-D505 WeakPolarHBondContact CE1-O 3.22Å; D505-S507 WeakPolarHBondContact OD1-CA 3.48Å; D505-S507 PolarHBondContact OD1-N 2.75Å; D505-S507 PolarHBondContact OD1-OG 2.87Å; D505-S508 PolarHBondContact OD1-N 3.21Å; D505-S508 WeakPolarHBondContact OD2-CB 3.36Å; D505-K512 HydrophobicContact CB-CB 4.42Å
506	C	86.8	Confident	89.7	Confident	71 Å²	71	40.4 Å²	40.4	48%	0.48	22%	0.221	S	C	.	.	S	Bend	trans	-91.9	-10.3	177.8	4.5	0	0	0	0	113.9	C494	C494-C506 WeakPolarHBondContact CA-SG 3.44Å; C494-C506 HydrophobicContact CB-CB 3.6Å; C494-C506 WeakPolarHBondContact CB-SG 3.44Å; C494-C506 WeakPolarHBondContact SG-CB 3.44Å; C494-C506 PolarHBondContact SG-N 2.98Å; C494-C506 CovalentContact SG-SG 2.01Å; C494-C506 PolarHBondContact SG-SG 3.44Å
507	S	79.1	Confident	89.8	Confident	65 Å²	65	40 Å²	40	46%	0.455	21%	0.212	S	C	.	.	S	Bend	trans	-117.4	-6.3	-168.3	69.9	0	0	0	0	113.8	D505 K859	D505-S507 WeakPolarHBondContact OD1-CA 3.48Å; D505-S507 PolarHBondContact OD1-N 2.75Å; D505-S507 PolarHBondContact OD1-OG 2.87Å; S507-K859 WeakPolarHBondContact O-CD 3.35Å; S507-K859 VanDerWaalsContact O-CG 3.27Å; S507-K859 WeakPolarHBondContact O-CG 3.46Å; S507-K859 PolarHBondContact OG-NZ 3.34Å
508	S	80.1	Confident	89.6	Confident	11 Å²	11	36.2 Å²	36.2	8%	0.077	19%	0.188	C	C	.	.			trans	-131.4	151.4	-174.5	-169.5	0	0	0	0	111.2	D505 W510	D505-S508 PolarHBondContact OD1-N 3.21Å; D505-S508 WeakPolarHBondContact OD2-CB 3.36Å; S508-W510 WeakPolarHBondContact CB-O 3.28Å; S508-W510 PolarHBondContact OG-N 3.06Å; S508-W510 VanDerWaalsContact OG-N 3.07Å
509	K	80.2	Confident	89.5	Confident	36 Å²	36	33.7 Å²	33.7	16%	0.157	18%	0.179	C	C	.	.	S	Bend	trans	-74.2	-17.9	165.4	75	-178.2	-171.2	-179.9	0	112.4	K476	K476-K509 VanDerWaalsContact CE-O 3.3Å; K476-K509 WeakPolarHBondContact CE-O 3.34Å; K476-K509 WeakPolarHBondContact CG-O 3.33Å; K476-K509 PolarHBondContact NZ-O 3.01Å
510	W	85.4	Confident	89.4	Confident	10 Å²	10	36.9 Å²	36.9	4%	0.038	20%	0.197	C	C	.	.	S	Bend	trans	-96.9	148.2	-179.3	-64.6	113	0	0	0	111.1	H203 G449 H450 S508 M858	H203-W510 AromaticContact NE2-CH2 3.71Å; G449-W510 VanDerWaalsContact CA-CE3 3.41Å; H450-W510 HydrophobicContact CB-CZ3 4.4Å; H450-W510 AromaticContact CD2-CH2 3.79Å; H450-W510 AromaticContact CD2-CZ3 3.42Å; H450-W510 VanDerWaalsContact CD2-CZ3 3.42Å; H450-W510 WeakPolarHBondContact CD2-CZ3 3.33Å; H450-W510 AromaticContact CE1-CH2 3.53Å; H450-W510 AromaticContact CE1-CZ3 3.29Å; H450-W510 WeakPolarHBondContact CE1-CZ3 3.32Å; H450-W510 AromaticContact CG-CZ3 3.54Å; H450-W510 AromaticContact ND1-CZ3 3.49Å; H450-W510 WeakPolarHBondContact ND1-CZ3 3.18Å; H450-W510 AromaticContact NE2-CH2 3.25Å; H450-W510 WeakPolarHBondContact NE2-CH2 3.29Å; H450-W510 AromaticContact NE2-CZ3 3.27Å; H450-W510 VanDerWaalsContact NE2-CZ3 3.27Å; H450-W510 WeakPolarHBondContact NE2-CZ3 3.3Å; S508-W510 WeakPolarHBondContact CB-O 3.28Å; S508-W510 PolarHBondContact OG-N 3.06Å; S508-W510 VanDerWaalsContact OG-N 3.07Å; W510-M858 HydrophobicContact CZ2-CE 3.48Å; W510-M858 VanDerWaalsContact CZ2-CE 3.48Å; W510-M858 HydrophobicContact CZ2-SD 4.08Å; W510-M858 PolarHBondContact NE1-SD 3.36Å
511	L	91.4	Very high	89.4	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-63.9	147.4	174.3	-166.9	73.8	0	0	0	110.1	L422 G449 E451 P453 K476 T503 Y513	L422-L511 HydrophobicContact CD1-CD2 3.76Å; G449-L511 WeakPolarHBondContact O-CB 3.42Å; G449-L511 PolarHBondContact O-N 3.19Å; E451-L511 HydrophobicContact CB-CD2 3.74Å; E451-L511 WeakPolarHBondContact O-CB 3.18Å; P453-L511 HydrophobicContact CG-CD1 4.47Å; K476-L511 HydrophobicContact CB-CD1 4.13Å; K476-L511 HydrophobicContact CD-CB 4.41Å; K476-L511 HydrophobicContact CD-CD1 4.38Å; K476-L511 HydrophobicContact CG-CB 4.47Å; T503-L511 HydrophobicContact CG2-CD2 4.18Å; T503-L511 HydrophobicContact CG2-CG 4.49Å; T503-L511 WeakPolarHBondContact O-CD1 3.24Å; L511-Y513 VanDerWaalsContact O-CD1 3.24Å; L511-Y513 WeakPolarHBondContact O-CD1 3.3Å; L511-Y513 PolarHBondContact O-N 3.13Å
512	K	91.4	Very high	89.4	Confident	62 Å²	62	40.2 Å²	40.2	27%	0.27	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-76.2	119.3	167.7	-173.9	-176.4	177.5	178.2	0	109.2	T503 D505 D516 A518	T503-K512 WeakPolarHBondContact CA-O 3.22Å; T503-K512 WeakPolarHBondContact CB-O 3.22Å; T503-K512 WeakPolarHBondContact CG2-O 3.22Å; T503-K512 PolarHBondContact O-N 3.11Å; T503-K512 VanDerWaalsContact O-N 3.08Å; D505-K512 HydrophobicContact CB-CB 4.42Å; K512-D516 WeakPolarHBondContact CE-OD2 3.36Å; K512-D516 IonicContact NZ-OD2 3.78Å; K512-D516 PolarHBondContact NZ-OD2 3.39Å; K512-A518 HydrophobicContact CB-CB 4.29Å; K512-A518 HydrophobicContact CD-CB 3.97Å; K512-A518 HydrophobicContact CG-CB 3.74Å; K512-A518 WeakPolarHBondContact O-CB 3.33Å
513	Y	91.1	Very high	89.5	Confident	1 Å²	1	39 Å²	39	0%	0.004	21%	0.207	C	C	.	.			trans	-140.8	-21	179.1	66.8	-87.8	0	0	0	115.8	W443 N447 A448 L511 G519 E855	W443-Y513 HydrophobicContact CD2-CD2 4.35Å; W443-Y513 AromaticContact CE3-CD2 3.92Å; W443-Y513 HydrophobicContact CE3-CD2 3.92Å; W443-Y513 HydrophobicContact CE3-CE2 4.5Å; N447-Y513 WeakPolarHBondContact CA-OH 3.33Å; N447-Y513 WeakPolarHBondContact OD1-CE1 3.38Å; N447-Y513 PolarHBondContact OD1-OH 2.89Å; A448-Y513 HydrophobicContact CB-CD1 4.24Å; A448-Y513 HydrophobicContact CB-CD2 4.1Å; A448-Y513 HydrophobicContact CB-CG 3.84Å; L511-Y513 VanDerWaalsContact O-CD1 3.24Å; L511-Y513 WeakPolarHBondContact O-CD1 3.3Å; L511-Y513 PolarHBondContact O-N 3.13Å; Y513-G519 WeakPolarHBondContact O-CA 3.22Å; Y513-G519 PolarHBondContact O-N 3.39Å; Y513-E855 WeakPolarHBondContact CE1-OE1 3.25Å; Y513-E855 VanDerWaalsContact CZ-OE1 3.28Å; Y513-E855 PolarHBondContact OH-OE1 2.9Å
514	K	83.7	Confident	89.6	Confident	51 Å²	51	44.3 Å²	44.3	22%	0.222	23%	0.226	C	C	.	.	S	Bend	trans	-83.5	-25.1	-173.6	-67.9	-173.6	179.2	120.1	0	115	W443 E855	W443-K514 HydrophobicContact CB-CG 4.43Å; K514-E855 WeakPolarHBondContact CD-OE1 3.25Å; K514-E855 WeakPolarHBondContact CE-OE1 3.24Å; K514-E855 IonicContact NZ-OE1 2.76Å; K514-E855 PolarHBondContact NZ-OE1 3.32Å
515	H	79.9	Confident	89.8	Confident	103 Å²	103	43.4 Å²	43.4	48%	0.477	22%	0.222	S	C	.	.	S	Bend	trans	-125.9	155.1	-164.6	-59.6	-58.6	0	0	0	112.5	A518	H515-A518 WeakPolarHBondContact O-CB 3.36Å; H515-A518 PolarHBondContact O-N 3.17Å
516	D	80.9	Confident	90.2	Very high	125 Å²	125	42.8 Å²	42.8	67%	0.668	22%	0.22	S	C	*	.	G	3₁₀ helix	trans	55.5	-150.8	178	-48.2	-43.4	0	0	0	112.6	K512 A518	K512-D516 WeakPolarHBondContact CE-OD2 3.36Å; K512-D516 IonicContact NZ-OD2 3.78Å; K512-D516 PolarHBondContact NZ-OD2 3.39Å; D516-A518 PolarHBondContact O-N 3.28Å
517	L	91.9	Very high	90.7	Very high	72 Å²	72	39.4 Å²	39.4	38%	0.377	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-62.5	-18.2	176.3	-61.5	171.2	0	0	0	113.2	I502 G519 D520	I502-L517 HydrophobicContact CD1-CB 4.14Å; I502-L517 WeakPolarHBondContact CD1-O 3.3Å; L517-G519 VanDerWaalsContact C-N 3.27Å; L517-G519 PolarHBondContact O-N 3.02Å; L517-D520 WeakPolarHBondContact O-CB 3.38Å; L517-D520 PolarHBondContact O-N 2.91Å
518	A	93.8	Very high	91.6	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.008	18%	0.182	C	C	.	.	G	3₁₀ helix	trans	-62.1	-37.2	-174	0	0	0	0	0	112.2	L422 I502 T503 K512 H515 D516 D520 C521	L422-A518 WeakPolarHBondContact CD2-O 3.33Å; I502-A518 WeakPolarHBondContact O-CB 3.5Å; T503-A518 HydrophobicContact CG2-CB 4.38Å; K512-A518 HydrophobicContact CB-CB 4.29Å; K512-A518 HydrophobicContact CD-CB 3.97Å; K512-A518 HydrophobicContact CG-CB 3.74Å; K512-A518 WeakPolarHBondContact O-CB 3.33Å; H515-A518 WeakPolarHBondContact O-CB 3.36Å; H515-A518 PolarHBondContact O-N 3.17Å; D516-A518 PolarHBondContact O-N 3.28Å; A518-D520 PolarHBondContact O-N 3.4Å; A518-C521 WeakPolarHBondContact O-CB 3.24Å; A518-C521 PolarHBondContact O-N 3.41Å; A518-C521 VanDerWaalsContact O-N 3.16Å
519	G	94.2	Very high	92.4	Very high	4 Å²	4	39 Å²	39	4%	0.041	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-66.2	-18.9	175.8	0	0	0	0	0	114.3	H432 W443 Y513 L517	H432-G519 PolarHBondContact CE1-O 3.32Å; H432-G519 PolarHBondContact NE2-O 2.83Å; W443-G519 PolarHBondContact NE1-O 3.2Å; W443-G519 VanDerWaalsContact NE1-O 3.1Å; Y513-G519 WeakPolarHBondContact O-CA 3.22Å; Y513-G519 PolarHBondContact O-N 3.39Å; L517-G519 VanDerWaalsContact C-N 3.27Å; L517-G519 PolarHBondContact O-N 3.02Å
520	D	96.4	Very high	93.2	Very high	79 Å²	79	40.9 Å²	40.9	42%	0.422	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-92.7	0.1	177.7	-63.1	-50.3	0	0	0	112.7	Y428 H432 L517 A518 Q522	Y428-D520 PolarHBondContact OH-O 3.12Å; H432-D520 IonicContact CD2-OD1 3.63Å; H432-D520 PolarHBondContact CD2-OD1 3.42Å; H432-D520 IonicContact NE2-OD1 3.37Å; H432-D520 PolarHBondContact NE2-OD1 2.69Å; H432-D520 VanDerWaalsContact NE2-OD1 3.13Å; L517-D520 WeakPolarHBondContact O-CB 3.38Å; L517-D520 PolarHBondContact O-N 2.91Å; A518-D520 PolarHBondContact O-N 3.4Å; D520-Q522 PolarHBondContact O-N 2.63Å
521	C	98.1	Very high	93.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.21	C	C	.	.			trans	-56.4	126.9	-175.5	-176.3	0	0	0	0	112.8	L422 Y428 I502 T503 A518	L422-C521 HydrophobicContact CB-CB 4.37Å; L422-C521 WeakPolarHBondContact CB-O 3.34Å; L422-C521 HydrophobicContact CD2-CB 4.43Å; L422-C521 PolarHBondContact N-O 3.14Å; Y428-C521 WeakPolarHBondContact CE2-O 3.41Å; I502-C521 HydrophobicContact CD1-CB 3.9Å; I502-C521 HydrophobicContact CG1-CB 3.89Å; T503-C521 HydrophobicContact CG2-CB 3.48Å; T503-C521 VanDerWaalsContact CG2-CB 3.48Å; A518-C521 WeakPolarHBondContact O-CB 3.24Å; A518-C521 PolarHBondContact O-N 3.41Å; A518-C521 VanDerWaalsContact O-N 3.16Å
522	Q	97.4	Very high	93.9	Very high	76 Å²	76	47.1 Å²	47.1	36%	0.355	23%	0.234	S	C	.	.	B	Isolated β-bridge	trans	-152.4	128.5	176.3	60.1	-176	-25.3	0	0	112.5	K421 Y428 D520 G543 A544	K421-Q522 HydrophobicContact CG-CB 3.99Å; Y428-Q522 HydrophobicContact CE2-CB 4.45Å; D520-Q522 PolarHBondContact O-N 2.63Å; Q522-G543 PolarHBondContact N-O 2.93Å; Q522-G543 VanDerWaalsContact N-O 3.09Å; Q522-G543 CarbonylContact O-C 3.57Å; Q522-G543 WeakPolarHBondContact O-CA 3.36Å; Q522-A544 PolarHBondContact O-N 2.93Å
523	G	98.1	Very high	93.9	Very high	4 Å²	4	45.9 Å²	45.9	4%	0.041	24%	0.238	C	C	.	.			trans	-89.5	176.3	152.1	0	0	0	0	0	111.4	S419 G420 E540	S419-G523 CarbonylContact O-C 3.59Å; S419-G523 WeakPolarHBondContact OG-CA 3.34Å; G420-G523 CarbonylContact C-O 3.52Å; G420-G523 PolarHBondContact O-N 3.47Å; G523-E540 WeakPolarHBondContact CA-O 3.4Å
524	R	97.9	Very high	94.3	Very high	112 Å²	112	46 Å²	46	42%	0.423	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	125	172.6	-177.3	175.2	60.4	80.6	5.5	111.9	S419 V526 G539 E540	S419-R524 CarbonylContact O-C 3.58Å; S419-R524 VanDerWaalsContact O-C 3.26Å; S419-R524 WeakPolarHBondContact O-CA 3.28Å; S419-R524 PolarHBondContact O-N 2.92Å; S419-R524 PolarHBondContact OG-N 3.07Å; R524-V526 PolarHBondContact O-N 2.95Å; R524-G539 CarbonylContact O-C 3.57Å; R524-G539 WeakPolarHBondContact O-CA 3.46Å; R524-E540 PolarHBondContact N-O 3.39Å; R524-E540 PolarHBondContact O-N 3.13Å
525	V	98.5	Very high	95	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.012	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	117.4	162.6	-169.1	0	0	0	0	109.2	Y393 V400 F417 S419 A528 I537 I727	Y393-V525 HydrophobicContact CD2-CG2 4.44Å; Y393-V525 HydrophobicContact CE2-CB 3.89Å; Y393-V525 HydrophobicContact CE2-CG1 4.42Å; Y393-V525 HydrophobicContact CE2-CG2 3.73Å; V400-V525 HydrophobicContact CG2-CG1 3.77Å; V400-V525 HydrophobicContact CG2-CG2 4.14Å; F417-V525 HydrophobicContact CD1-CG2 4.17Å; F417-V525 HydrophobicContact CE1-CG2 4.24Å; S419-V525 WeakPolarHBondContact O-CG2 3.1Å; S419-V525 PolarHBondContact O-N 3.31Å; V525-A528 HydrophobicContact CG1-CB 4.25Å; V525-I537 HydrophobicContact CG1-CG2 4.33Å; V525-I727 HydrophobicContact CB-CD1 3.82Å; V525-I727 HydrophobicContact CG1-CD1 3.36Å
526	V	97.1	Very high	95.9	Very high	13 Å²	13	38.7 Å²	38.7	8%	0.079	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-42.6	-178.6	-177.1	0	0	0	0	111.2	R524 R538 E540 F709 A726 I727	R524-V526 PolarHBondContact O-N 2.95Å; V526-R538 HydrophobicContact CB-CB 4.29Å; V526-R538 HydrophobicContact CB-CG 4.02Å; V526-R538 HydrophobicContact CG2-CG 4.3Å; V526-R538 PolarHBondContact N-O 3.46Å; V526-E540 HydrophobicContact CG2-CB 3.71Å; V526-F709 HydrophobicContact CG1-CE1 4.27Å; V526-F709 HydrophobicContact CG1-CZ 4.49Å; V526-A726 WeakPolarHBondContact O-CA 3.4Å; V526-I727 PolarHBondContact O-N 3.04Å
527	A	97.1	Very high	96.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	144.1	-179.9	0	0	0	0	0	110.3	F536 I537 R538 F709 S725	A527-F536 HydrophobicContact CB-CD1 4.33Å; A527-F536 HydrophobicContact CB-CE1 3.86Å; A527-I537 CarbonylContact O-C 3.57Å; A527-I537 VanDerWaalsContact O-CA 3.32Å; A527-I537 WeakPolarHBondContact O-CA 3.3Å; A527-R538 HydrophobicContact CB-CB 4.3Å; A527-R538 PolarHBondContact N-O 3.47Å; A527-R538 PolarHBondContact O-N 2.99Å; A527-F709 HydrophobicContact CB-CD2 4.05Å; A527-F709 HydrophobicContact CB-CE2 3.9Å; A527-F709 HydrophobicContact CB-CZ 4.31Å; A527-S725 WeakPolarHBondContact CA-O 3.16Å; A527-S725 VanDerWaalsContact CB-O 3.3Å; A527-S725 WeakPolarHBondContact CB-O 3.42Å
528	A	97.9	Very high	97	Very high	17 Å²	17	29.4 Å²	29.4	14%	0.14	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	117	172.4	0	0	0	0	0	109.1	L391 V400 V525 F536 I537 S725 I727	L391-A528 HydrophobicContact CD1-CB 4.49Å; L391-A528 HydrophobicContact CD2-CB 4.25Å; V400-A528 HydrophobicContact CG1-CB 4.13Å; V400-A528 HydrophobicContact CG2-CB 3.78Å; V525-A528 HydrophobicContact CG1-CB 4.25Å; A528-F536 CarbonylContact C-O 3.54Å; A528-F536 WeakPolarHBondContact CA-O 3.4Å; A528-I537 HydrophobicContact CB-CG1 4.47Å; A528-S725 PolarHBondContact N-O 3.32Å; A528-I727 HydrophobicContact CB-CD1 3.98Å
529	M	97.7	Very high	97.3	Very high	51 Å²	51	29.3 Å²	29.3	25%	0.251	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	142.3	-179.1	-177.5	175.4	-176.3	0	0	111.1	R531 F536 F721 S725	M529-R531 HydrophobicContact CE-CB 4.3Å; M529-R531 VanDerWaalsContact CE-NE 3.35Å; M529-R531 PolarHBondContact SD-NH2 3.19Å; M529-R531 VanDerWaalsContact SD-NH2 3.39Å; M529-F536 PolarHBondContact N-O 3.09Å; M529-F536 PolarHBondContact O-N 2.86Å; M529-F721 HydrophobicContact CB-CD1 4Å; M529-F721 HydrophobicContact CB-CE1 4.15Å; M529-F721 HydrophobicContact CG-CD1 4.2Å; M529-F721 HydrophobicContact CG-CE1 4.17Å; M529-F721 WeakPolarHBondContact O-CE1 3.17Å; M529-F721 HydrophobicContact SD-CD1 4.27Å; M529-S725 PolarHBondContact SD-OG 3.37Å
530	E	97.3	Very high	97.4	Very high	74 Å²	74	30.5 Å²	30.5	35%	0.346	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	136.4	163.8	-177.7	-81	132.7	0	0	108.9	L391 Y402 S532 G533 V534 V535	L391-E530 HydrophobicContact CB-CB 4.34Å; Y402-E530 HydrophobicContact CE2-CG 4.05Å; E530-S532 PolarHBondContact OE1-N 3.31Å; E530-S532 VanDerWaalsContact OE1-N 3.14Å; E530-G533 PolarHBondContact OE1-N 3.41Å; E530-V534 CarbonylContact C-O 3.6Å; E530-V534 WeakPolarHBondContact CA-O 3.39Å; E530-V535 HydrophobicContact CB-CG2 4.18Å; E530-V535 HydrophobicContact CG-CG2 4.03Å
531	R	96.5	Very high	97.5	Very high	72 Å²	72	26.7 Å²	26.7	27%	0.272	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	120.6	173.9	-167.5	-179.6	-62.9	-165.9	6.1	109.8	M529 G533 V534 I719 V720 F721	M529-R531 HydrophobicContact CE-CB 4.3Å; M529-R531 VanDerWaalsContact CE-NE 3.35Å; M529-R531 PolarHBondContact SD-NH2 3.19Å; M529-R531 VanDerWaalsContact SD-NH2 3.39Å; R531-G533 VanDerWaalsContact C-N 3.28Å; R531-G533 PolarHBondContact O-N 3.14Å; R531-V534 PolarHBondContact N-O 3.15Å; R531-V534 PolarHBondContact O-N 2.89Å; R531-V534 VanDerWaalsContact O-N 3.12Å; R531-I719 HydrophobicContact CB-CG2 3.99Å; R531-I719 HydrophobicContact CG-CG2 4.07Å; R531-V720 PolarHBondContact NH1-O 3.15Å; R531-V720 PolarHBondContact NH2-O 2.87Å; R531-F721 HydrophobicContact CB-CE1 3.77Å; R531-F721 HydrophobicContact CB-CZ 3.93Å
532	S	94.2	Very high	97.6	Very high	71 Å²	71	28.7 Å²	28.7	50%	0.497	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	38.9	176.5	-54.5	0	0	0	0	113.4	E530 V534 Q717	E530-S532 PolarHBondContact OE1-N 3.31Å; E530-S532 VanDerWaalsContact OE1-N 3.14Å; S532-V534 PolarHBondContact O-N 3.1Å; S532-Q717 PolarHBondContact OG-NE2 2.97Å; S532-Q717 VanDerWaalsContact OG-NE2 3.17Å
533	G	92.9	Very high	97.6	Very high	36 Å²	36	26.5 Å²	26.5	37%	0.371	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.7	-8.7	-179.2	0	0	0	0	0	114.8	E530 R531	E530-G533 PolarHBondContact OE1-N 3.41Å; R531-G533 VanDerWaalsContact C-N 3.28Å; R531-G533 PolarHBondContact O-N 3.14Å
534	V	98.1	Very high	97.6	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.024	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	132.5	173.9	177.2	0	0	0	0	109.7	E530 R531 S532 V559 L560 V712 I719 F721	E530-V534 CarbonylContact C-O 3.6Å; E530-V534 WeakPolarHBondContact CA-O 3.39Å; R531-V534 PolarHBondContact N-O 3.15Å; R531-V534 PolarHBondContact O-N 2.89Å; R531-V534 VanDerWaalsContact O-N 3.12Å; S532-V534 PolarHBondContact O-N 3.1Å; V534-V559 HydrophobicContact CG1-CG1 3.98Å; V534-L560 WeakPolarHBondContact CA-O 3.26Å; V534-L560 WeakPolarHBondContact CG1-O 3.47Å; V534-V712 HydrophobicContact CG1-CG2 4.21Å; V534-I719 HydrophobicContact CB-CD1 4.12Å; V534-I719 HydrophobicContact CG2-CD1 3.55Å; V534-F721 HydrophobicContact CB-CZ 4.21Å; V534-F721 HydrophobicContact CG1-CE2 3.9Å; V534-F721 HydrophobicContact CG1-CZ 3.91Å
535	V	98.7	Very high	97.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.9	175.7	-178.7	0	0	0	0	109.5	L391 Y402 L415 E530 I537 V559 L560	L391-V535 HydrophobicContact CD1-CG1 3.65Å; Y402-V535 HydrophobicContact CD1-CG2 3.86Å; Y402-V535 HydrophobicContact CD2-CG2 3.7Å; Y402-V535 HydrophobicContact CE1-CG2 3.75Å; Y402-V535 HydrophobicContact CE2-CG2 3.62Å; Y402-V535 HydrophobicContact CG-CG2 3.81Å; L415-V535 HydrophobicContact CD2-CG1 4.49Å; E530-V535 HydrophobicContact CB-CG2 4.18Å; E530-V535 HydrophobicContact CG-CG2 4.03Å; V535-I537 HydrophobicContact CG1-CD1 4.19Å; V535-I537 HydrophobicContact CG1-CG1 4.06Å; V535-V559 CarbonylContact O-C 3.6Å; V535-V559 VanDerWaalsContact O-CA 3.29Å; V535-V559 WeakPolarHBondContact O-CA 3.41Å; V535-L560 HydrophobicContact CB-CB 3.92Å; V535-L560 HydrophobicContact CG2-CB 4.44Å; V535-L560 HydrophobicContact CG2-CD2 4.27Å; V535-L560 PolarHBondContact N-O 3.33Å; V535-L560 PolarHBondContact O-N 2.86Å
536	F	98.6	Very high	97.6	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.1	171.9	173.4	-117.7	0	0	0	111	A527 A528 M529 R538 N557 L558 V559 F709 V710 F721	A527-F536 HydrophobicContact CB-CD1 4.33Å; A527-F536 HydrophobicContact CB-CE1 3.86Å; A528-F536 CarbonylContact C-O 3.54Å; A528-F536 WeakPolarHBondContact CA-O 3.4Å; M529-F536 PolarHBondContact N-O 3.09Å; M529-F536 PolarHBondContact O-N 2.86Å; F536-R538 HydrophobicContact CE1-CB 4.25Å; F536-R538 HydrophobicContact CE2-CB 4.39Å; F536-R538 HydrophobicContact CZ-CB 3.77Å; F536-N557 HydrophobicContact CE2-CB 4.26Å; F536-L558 WeakPolarHBondContact CA-O 3.17Å; F536-V559 HydrophobicContact CD2-CG2 4.01Å; F536-F709 HydrophobicContact CD1-CB 4.47Å; F536-F709 HydrophobicContact CE1-CB 3.43Å; F536-F709 VanDerWaalsContact CE1-CB 3.43Å; F536-F709 HydrophobicContact CE1-CD2 4.18Å; F536-F709 AromaticContact CE1-CG 3.99Å; F536-F709 HydrophobicContact CE1-CG 3.99Å; F536-F709 HydrophobicContact CZ-CB 3.68Å; F536-F709 HydrophobicContact CZ-CG 4.48Å; F536-V710 HydrophobicContact CB-CG1 4.12Å; F536-V710 HydrophobicContact CD1-CG1 3.78Å; F536-V710 HydrophobicContact CD2-CB 4.31Å; F536-V710 HydrophobicContact CD2-CG1 3.36Å; F536-V710 HydrophobicContact CE1-CG1 3.95Å; F536-V710 HydrophobicContact CE2-CB 4.07Å; F536-V710 HydrophobicContact CE2-CG1 3.53Å; F536-V710 HydrophobicContact CG-CG1 3.45Å; F536-V710 VanDerWaalsContact CG-CG1 3.45Å; F536-V710 HydrophobicContact CZ-CB 4.32Å; F536-V710 HydrophobicContact CZ-CG1 3.81Å; F536-F721 HydrophobicContact CB-CB 4.4Å; F536-F721 HydrophobicContact CB-CD1 3.66Å; F536-F721 HydrophobicContact CB-CD2 3.92Å; F536-F721 HydrophobicContact CB-CE1 3.76Å; F536-F721 HydrophobicContact CB-CE2 4Å; F536-F721 HydrophobicContact CB-CG 3.72Å; F536-F721 HydrophobicContact CB-CZ 3.92Å; F536-F721 HydrophobicContact CD1-CB 3.72Å; F536-F721 HydrophobicContact CD1-CD1 4.25Å; F536-F721 AromaticContact CD1-CG 4Å; F536-F721 HydrophobicContact CD1-CG 4Å; F536-F721 HydrophobicContact CE1-CB 4.35Å; F536-F721 HydrophobicContact CG-CB 4.27Å; F536-F721 HydrophobicContact CG-CD1 4.38Å; F536-F721 HydrophobicContact CG-CD2 4.44Å; F536-F721 HydrophobicContact CG-CG 4.12Å
537	I	98.8	Very high	97.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	134.6	174.3	-53.5	167.7	0	0	0	108.7	V400 L415 F417 V525 A527 A528 V535 N557 L558	V400-I537 HydrophobicContact CB-CD1 4.12Å; V400-I537 HydrophobicContact CG1-CD1 3.63Å; V400-I537 HydrophobicContact CG1-CG1 4.13Å; V400-I537 HydrophobicContact CG2-CG2 4.28Å; L415-I537 HydrophobicContact CD2-CD1 3.98Å; F417-I537 HydrophobicContact CB-CD1 4.19Å; F417-I537 HydrophobicContact CB-CG2 4Å; F417-I537 HydrophobicContact CD1-CG2 3.52Å; F417-I537 HydrophobicContact CE1-CG2 4.16Å; F417-I537 HydrophobicContact CG-CG2 3.77Å; V525-I537 HydrophobicContact CG1-CG2 4.33Å; A527-I537 CarbonylContact O-C 3.57Å; A527-I537 VanDerWaalsContact O-CA 3.32Å; A527-I537 WeakPolarHBondContact O-CA 3.3Å; A528-I537 HydrophobicContact CB-CG1 4.47Å; V535-I537 HydrophobicContact CG1-CD1 4.19Å; V535-I537 HydrophobicContact CG1-CG1 4.06Å; I537-N557 CarbonylContact O-C 3.46Å; I537-N557 WeakPolarHBondContact O-CA 3.38Å; I537-L558 HydrophobicContact CB-CB 4.3Å; I537-L558 PolarHBondContact N-O 2.94Å; I537-L558 PolarHBondContact O-N 3.4Å
538	R	98.6	Very high	97.6	Very high	1 Å²	1	32.4 Å²	32.4	0%	0.004	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	129.3	171.7	177.9	176.6	-70.3	-172.9	-3.6	109.7	V526 A527 F536 R556 N557 E702 F709	V526-R538 HydrophobicContact CB-CB 4.29Å; V526-R538 HydrophobicContact CB-CG 4.02Å; V526-R538 HydrophobicContact CG2-CG 4.3Å; V526-R538 PolarHBondContact N-O 3.46Å; A527-R538 HydrophobicContact CB-CB 4.3Å; A527-R538 PolarHBondContact N-O 3.47Å; A527-R538 PolarHBondContact O-N 2.99Å; F536-R538 HydrophobicContact CE1-CB 4.25Å; F536-R538 HydrophobicContact CE2-CB 4.39Å; F536-R538 HydrophobicContact CZ-CB 3.77Å; R538-R556 CarbonylContact C-O 3.55Å; R538-R556 WeakPolarHBondContact CA-O 3.41Å; R538-N557 VanDerWaalsContact CZ-OD1 3.22Å; R538-N557 PolarHBondContact NE-OD1 3.13Å; R538-N557 PolarHBondContact NH2-OD1 2.85Å; R538-E702 IonicContact NH1-OE1 3.46Å; R538-E702 PolarHBondContact NH1-OE1 3.5Å; R538-F709 PolarHBondContact NH2-O 2.92Å; R538-F709 VanDerWaalsContact NH2-O 3.08Å
539	G	98.3	Very high	97.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	158.9	167.9	0	0	0	0	0	112.9	R524 Q555 R556	R524-G539 CarbonylContact O-C 3.57Å; R524-G539 WeakPolarHBondContact O-CA 3.46Å; G539-Q555 VanDerWaalsContact O-CA 3.32Å; G539-Q555 WeakPolarHBondContact O-CA 3.25Å; G539-R556 PolarHBondContact N-O 3.24Å; G539-R556 PolarHBondContact O-N 2.79Å; G539-R556 VanDerWaalsContact O-N 3.16Å
540	E	98.2	Very high	97.6	Very high	28 Å²	28	31.8 Å²	31.8	13%	0.131	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.4	174.5	177.1	59.2	-102.1	0	0	108.9	S419 G523 R524 V526 V542 L554 Q555	S419-E540 PolarHBondContact OG-O 3.12Å; G523-E540 WeakPolarHBondContact CA-O 3.4Å; R524-E540 PolarHBondContact N-O 3.39Å; R524-E540 PolarHBondContact O-N 3.13Å; V526-E540 HydrophobicContact CG2-CB 3.71Å; E540-V542 WeakPolarHBondContact OE1-CG2 3.49Å; E540-V542 PolarHBondContact OE1-N 3.45Å; E540-L554 PolarHBondContact OE1-N 2.81Å; E540-Q555 WeakPolarHBondContact OE2-CG 3.43Å
541	G	98.3	Very high	97.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	17%	0.165	C	C	.	.			trans	-109.9	-8.5	-169.1	0	0	0	0	0	115.4	N456 G543 A544 Y545 L554	N456-G541 WeakPolarHBondContact ND2-CA 3.05Å; N456-G541 PolarHBondContact ND2-N 3.48Å; G541-G543 PolarHBondContact O-N 3.1Å; G541-G543 VanDerWaalsContact O-N 3.09Å; G541-A544 WeakPolarHBondContact O-CB 3.17Å; G541-A544 PolarHBondContact O-N 2.82Å; G541-Y545 VanDerWaalsContact O-CD2 3.29Å; G541-Y545 WeakPolarHBondContact O-CD2 3.29Å; G541-L554 PolarHBondContact N-O 3.43Å
542	V	98.5	Very high	97.6	Very high	42 Å²	42	32.9 Å²	32.9	26%	0.255	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-51.6	-41	-172	170.3	0	0	0	0	113	E540 A544 Y545 L551 L554	E540-V542 WeakPolarHBondContact OE1-CG2 3.49Å; E540-V542 PolarHBondContact OE1-N 3.45Å; V542-A544 PolarHBondContact O-N 2.85Å; V542-Y545 PolarHBondContact O-N 3.46Å; V542-L551 HydrophobicContact CG1-CB 4.47Å; V542-L551 WeakPolarHBondContact CG1-O 3.45Å; V542-L551 HydrophobicContact CG2-CB 4.05Å; V542-L554 HydrophobicContact CG2-CB 3.97Å
543	G	98.1	Very high	97.7	Very high	30 Å²	30	31.9 Å²	31.9	31%	0.309	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-67	-5.2	-178	0	0	0	0	0	115.4	Q522 G541	Q522-G543 PolarHBondContact N-O 2.93Å; Q522-G543 VanDerWaalsContact N-O 3.09Å; Q522-G543 CarbonylContact O-C 3.57Å; Q522-G543 WeakPolarHBondContact O-CA 3.36Å; G541-G543 PolarHBondContact O-N 3.1Å; G541-G543 VanDerWaalsContact O-N 3.09Å
544	A	98.4	Very high	98	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-95.8	-7.1	173.6	0	0	0	0	0	113.2	Q455 Q501 I502 Q522 G541 V542	Q455-A544 HydrophobicContact CB-CB 3.72Å; Q455-A544 HydrophobicContact CG-CB 3.77Å; Q501-A544 CarbonylContact C-O 3.46Å; Q501-A544 WeakPolarHBondContact CA-O 3.22Å; Q501-A544 HydrophobicContact CB-CB 4.45Å; Q501-A544 VanDerWaalsContact CB-O 3.29Å; Q501-A544 WeakPolarHBondContact CB-O 3.32Å; Q501-A544 HydrophobicContact CG-CB 4.03Å; I502-A544 WeakPolarHBondContact CG1-O 3.43Å; I502-A544 PolarHBondContact N-O 3.41Å; Q522-A544 PolarHBondContact O-N 2.93Å; G541-A544 WeakPolarHBondContact O-CB 3.17Å; G541-A544 PolarHBondContact O-N 2.82Å; V542-A544 PolarHBondContact O-N 2.85Å
545	Y	98.4	Very high	98	Very high	4 Å²	4	30.3 Å²	30.3	2%	0.016	15%	0.15	C	C	.	.	S	Bend	trans	-115.8	158.7	-176	-66.2	-92.4	0	0	0	111.3	L484 F486 G500 Q501 I502 G541 V542 P547 L549 L551 L554	L484-Y545 WeakPolarHBondContact O-CE1 3.49Å; L484-Y545 PolarHBondContact O-OH 2.82Å; F486-Y545 AromaticContact CD2-CD1 3.77Å; F486-Y545 HydrophobicContact CD2-CD1 3.77Å; F486-Y545 AromaticContact CD2-CE1 3.76Å; F486-Y545 HydrophobicContact CD2-CE1 3.76Å; F486-Y545 AromaticContact CE2-CD1 3.76Å; F486-Y545 HydrophobicContact CE2-CD1 3.76Å; F486-Y545 AromaticContact CE2-CE1 3.55Å; F486-Y545 HydrophobicContact CE2-CE1 3.55Å; F486-Y545 HydrophobicContact CE2-CE2 4.39Å; F486-Y545 HydrophobicContact CE2-CG 4.24Å; F486-Y545 AromaticContact CE2-CZ 3.89Å; G500-Y545 WeakPolarHBondContact O-CD1 3.25Å; Q501-Y545 HydrophobicContact CG-CD1 4.3Å; Q501-Y545 HydrophobicContact CG-CD2 4.43Å; Q501-Y545 HydrophobicContact CG-CE1 3.78Å; Q501-Y545 HydrophobicContact CG-CE2 3.89Å; Q501-Y545 PolarHBondContact NE2-OH 3.31Å; I502-Y545 VanDerWaalsContact CG2-C 3.48Å; G541-Y545 VanDerWaalsContact O-CD2 3.29Å; G541-Y545 WeakPolarHBondContact O-CD2 3.29Å; V542-Y545 PolarHBondContact O-N 3.46Å; Y545-P547 WeakPolarHBondContact O-CD 3.27Å; Y545-L549 HydrophobicContact CD1-CD1 4.48Å; Y545-L551 HydrophobicContact CD2-CD1 4.45Å; Y545-L551 HydrophobicContact CG-CD1 4.06Å; Y545-L554 HydrophobicContact CD2-CD2 3.56Å; Y545-L554 HydrophobicContact CE2-CD2 3.18Å; Y545-L554 HydrophobicContact CG-CD2 4.49Å
546	N	97.3	Very high	98	Very high	16 Å²	16	30.3 Å²	30.3	9%	0.086	15%	0.15	C	C	.	.			trans	-64	124.6	-178.8	-174.1	-18.8	0	0	0	110.4	E499 I502 K548 L549	E499-N546 VanDerWaalsContact OE1-CB 3.27Å; E499-N546 WeakPolarHBondContact OE1-CB 3.42Å; E499-N546 PolarHBondContact OE1-ND2 3.32Å; I502-N546 HydrophobicContact CG2-CB 4.13Å; I502-N546 VanDerWaalsContact CG2-N 3.34Å; N546-K548 PolarHBondContact O-N 3.11Å; N546-K548 WeakPolarHBondContact OD1-CB 3.44Å; N546-K548 PolarHBondContact OD1-N 2.76Å; N546-K548 VanDerWaalsContact OD1-N 3.12Å; N546-L549 HydrophobicContact CB-CD1 4.15Å; N546-L549 HydrophobicContact CB-CG 4.2Å; N546-L549 VanDerWaalsContact O-CB 3.31Å; N546-L549 WeakPolarHBondContact O-CB 3.39Å; N546-L549 WeakPolarHBondContact O-CG 3.34Å; N546-L549 PolarHBondContact O-N 2.76Å
547	P	97.3	Very high	98	Very high	90 Å²	90	30.4 Å²	30.4	58%	0.584	15%	0.151	S	C	*	.	G	3₁₀ helix	trans	-57.6	-23.7	-179.4	-26.8	35.3	0	0	0	114.1	Y545 L549 K550	Y545-P547 WeakPolarHBondContact O-CD 3.27Å; P547-L549 PolarHBondContact O-N 2.93Å; P547-K550 PolarHBondContact O-N 3.13Å
548	K	97.7	Very high	98	Very high	144 Å²	144	30.4 Å²	30.4	63%	0.626	15%	0.151	S	C	*	.	G	3₁₀ helix	trans	-67.3	-15.9	176.6	-67.6	-177.5	-178.6	179.5	0	114	V490 N546 K550	V490-K548 HydrophobicContact CB-CB 4.25Å; V490-K548 HydrophobicContact CG2-CB 3.55Å; N546-K548 PolarHBondContact O-N 3.11Å; N546-K548 WeakPolarHBondContact OD1-CB 3.44Å; N546-K548 PolarHBondContact OD1-N 2.76Å; N546-K548 VanDerWaalsContact OD1-N 3.12Å; K548-K550 PolarHBondContact O-N 3.41Å
549	L	97.8	Very high	98	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-70.9	-15.8	170.2	-60.1	169.2	0	0	0	111.6	V490 E499 Y545 N546 P547 L551 S578 L580	V490-L549 HydrophobicContact CB-CD2 4.35Å; V490-L549 HydrophobicContact CG1-CD2 3.92Å; V490-L549 HydrophobicContact CG2-CD2 3.65Å; V490-L549 HydrophobicContact CG2-CG 4.01Å; E499-L549 HydrophobicContact CG-CD1 4.47Å; Y545-L549 HydrophobicContact CD1-CD1 4.48Å; N546-L549 HydrophobicContact CB-CD1 4.15Å; N546-L549 HydrophobicContact CB-CG 4.2Å; N546-L549 VanDerWaalsContact O-CB 3.31Å; N546-L549 WeakPolarHBondContact O-CB 3.39Å; N546-L549 WeakPolarHBondContact O-CG 3.34Å; N546-L549 PolarHBondContact O-N 2.76Å; P547-L549 PolarHBondContact O-N 2.93Å; L549-L551 VanDerWaalsContact C-N 3.33Å; L549-L551 HydrophobicContact CB-CD1 4.41Å; L549-L551 HydrophobicContact CB-CG 4.28Å; L549-L551 HydrophobicContact CD1-CD1 4.5Å; L549-L551 PolarHBondContact O-N 3.12Å; L549-S578 PolarHBondContact O-OG 2.9Å; L549-L580 HydrophobicContact CB-CD1 4.15Å; L549-L580 HydrophobicContact CB-CD2 4.47Å; L549-L580 HydrophobicContact CB-CG 4.41Å; L549-L580 HydrophobicContact CD2-CD2 3.72Å
550	K	97.9	Very high	98	Very high	55 Å²	55	30.4 Å²	30.4	24%	0.239	15%	0.151	C	C	.	.			trans	55	46.4	178.1	-49.5	-170.7	-169.1	163.1	0	113.3	P547 K548 R552 E575 D577	P547-K550 PolarHBondContact O-N 3.13Å; K548-K550 PolarHBondContact O-N 3.41Å; K550-R552 PolarHBondContact O-N 3.39Å; K550-E575 HydrophobicContact CB-CB 3.92Å; K550-E575 HydrophobicContact CB-CG 4.06Å; K550-E575 PolarHBondContact O-N 2.84Å; K550-D577 WeakPolarHBondContact CD-O 3.4Å; K550-D577 WeakPolarHBondContact CD-OD1 3.3Å; K550-D577 PolarHBondContact NZ-O 3.23Å; K550-D577 IonicContact NZ-OD1 3.4Å; K550-D577 PolarHBondContact NZ-OD1 2.86Å; K550-D577 VanDerWaalsContact NZ-OD1 3.15Å; K550-D577 IonicContact NZ-OD2 3.21Å; K550-D577 PolarHBondContact NZ-OD2 2.92Å
551	L	97.8	Very high	98	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.052	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	113.3	169.6	-67.4	166.8	0	0	0	108.6	F486 V542 Y545 L549 I572 L574 L580	F486-L551 HydrophobicContact CD1-CD2 4.49Å; F486-L551 HydrophobicContact CD2-CD1 4.11Å; F486-L551 HydrophobicContact CE1-CD2 4.07Å; F486-L551 HydrophobicContact CE2-CD1 3.75Å; F486-L551 HydrophobicContact CE2-CD2 4.47Å; F486-L551 HydrophobicContact CZ-CD1 4.11Å; F486-L551 HydrophobicContact CZ-CD2 4.07Å; V542-L551 HydrophobicContact CG1-CB 4.47Å; V542-L551 WeakPolarHBondContact CG1-O 3.45Å; V542-L551 HydrophobicContact CG2-CB 4.05Å; Y545-L551 HydrophobicContact CD2-CD1 4.45Å; Y545-L551 HydrophobicContact CG-CD1 4.06Å; L549-L551 VanDerWaalsContact C-N 3.33Å; L549-L551 HydrophobicContact CB-CD1 4.41Å; L549-L551 HydrophobicContact CB-CG 4.28Å; L549-L551 HydrophobicContact CD1-CD1 4.5Å; L549-L551 PolarHBondContact O-N 3.12Å; L551-I572 HydrophobicContact CD2-CG2 3.99Å; L551-L574 HydrophobicContact CD2-CD2 3.7Å; L551-L580 HydrophobicContact CD2-CD1 3.69Å; L551-L580 HydrophobicContact CG-CD1 4.13Å
552	R	96.4	Very high	98	Very high	160 Å²	160	31.3 Å²	31.3	60%	0.604	16%	0.155	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-78.4	-38	174.8	-173.3	176.8	178	-172.9	6.4	112.1	K550 H573 E575	K550-R552 PolarHBondContact O-N 3.39Å; R552-H573 WeakPolarHBondContact CA-O 3.18Å; R552-H573 HydrophobicContact CB-CB 4.42Å; R552-H573 WeakPolarHBondContact CB-O 3.36Å; R552-H573 PolarHBondContact N-O 3.48Å; R552-H573 PolarHBondContact NH1-CE1 3.22Å; R552-H573 VanDerWaalsContact NH1-CE1 3.34Å; R552-H573 PolarHBondContact NH1-NE2 2.97Å; R552-E575 HydrophobicContact CB-CG 4.18Å
553	K	96.2	Very high	98	Very high	49 Å²	49	30.8 Å²	30.8	21%	0.213	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	143.3	172.3	-60.8	-173.9	177.8	-178.2	0	110.4	Q555 H573 T700	K553-Q555 HydrophobicContact CB-CG 4.42Å; K553-H573 HydrophobicContact CB-CB 3.87Å; K553-H573 HydrophobicContact CG-CB 4.35Å; K553-H573 PolarHBondContact N-O 2.82Å; K553-H573 VanDerWaalsContact N-O 3.16Å; K553-H573 PolarHBondContact O-N 3.1Å; K553-T700 PolarHBondContact NZ-O 3.34Å
554	L	98.1	Very high	98.1	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	85.1	170.9	178.8	56.9	0	0	0	108	N456 L484 F486 E540 G541 V542 Y545 I572	N456-L554 PolarHBondContact ND2-O 2.94Å; L484-L554 HydrophobicContact CD1-CD1 4.26Å; L484-L554 HydrophobicContact CD2-CD1 4.33Å; F486-L554 HydrophobicContact CE2-CD2 3.92Å; F486-L554 HydrophobicContact CZ-CD1 3.78Å; F486-L554 HydrophobicContact CZ-CD2 3.88Å; F486-L554 HydrophobicContact CZ-CG 4.45Å; E540-L554 PolarHBondContact OE1-N 2.81Å; G541-L554 PolarHBondContact N-O 3.43Å; V542-L554 HydrophobicContact CG2-CB 3.97Å; Y545-L554 HydrophobicContact CD2-CD2 3.56Å; Y545-L554 HydrophobicContact CE2-CD2 3.18Å; Y545-L554 HydrophobicContact CG-CD2 4.49Å; L554-I572 HydrophobicContact CD1-CG1 3.86Å
555	Q	98.1	Very high	98.1	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.037	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	127.7	-174.5	-67.8	-170.8	-18.1	0	0	111.2	G539 E540 K553 D570 Q571	G539-Q555 VanDerWaalsContact O-CA 3.32Å; G539-Q555 WeakPolarHBondContact O-CA 3.25Å; E540-Q555 WeakPolarHBondContact OE2-CG 3.43Å; K553-Q555 HydrophobicContact CB-CG 4.42Å; Q555-D570 CarbonylContact O-C 3.47Å; Q555-D570 WeakPolarHBondContact O-CA 3.45Å; Q555-Q571 HydrophobicContact CB-CB 4.36Å; Q555-Q571 PolarHBondContact N-O 3.1Å; Q555-Q571 PolarHBondContact O-N 2.67Å
556	R	98.8	Very high	98.1	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	127	169.7	177.4	162.7	-77.1	-174.9	-10.4	109.6	F417 N456 N482 R538 G539 L558 L568 D570	F417-R556 HydrophobicContact CE2-CB 4.26Å; F417-R556 HydrophobicContact CE2-CG 3.99Å; F417-R556 HydrophobicContact CZ-CB 4.49Å; N456-R556 HydrophobicContact CB-CB 4.28Å; N456-R556 VanDerWaalsContact O-CD 3.24Å; N456-R556 WeakPolarHBondContact O-CD 3.42Å; N456-R556 PolarHBondContact O-NH1 3.27Å; N482-R556 PolarHBondContact O-NH1 2.94Å; R538-R556 CarbonylContact C-O 3.55Å; R538-R556 WeakPolarHBondContact CA-O 3.41Å; G539-R556 PolarHBondContact N-O 3.24Å; G539-R556 PolarHBondContact O-N 2.79Å; G539-R556 VanDerWaalsContact O-N 3.16Å; R556-L558 HydrophobicContact CG-CD1 3.66Å; R556-L568 HydrophobicContact CG-CD1 4.25Å; R556-L568 HydrophobicContact CG-CD2 4.27Å; R556-L568 HydrophobicContact CG-CG 4.2Å; R556-D570 WeakPolarHBondContact CA-OD1 3.21Å; R556-D570 WeakPolarHBondContact CB-OD1 3.37Å; R556-D570 VanDerWaalsContact CG-OD1 3.29Å; R556-D570 WeakPolarHBondContact CG-OD1 3.16Å; R556-D570 IonicContact CZ-OD1 3.73Å; R556-D570 IonicContact CZ-OD2 2.72Å; R556-D570 IonicContact NE-OD1 3.24Å; R556-D570 PolarHBondContact NE-OD1 3.09Å; R556-D570 IonicContact NE-OD2 2.64Å; R556-D570 PolarHBondContact NE-OD2 2.89Å; R556-D570 IonicContact NH2-OD1 3.33Å; R556-D570 IonicContact NH2-OD2 3.53Å; R556-D570 PolarHBondContact NH2-OD2 2.89Å
557	N	98.8	Very high	98.2	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.9	-177.7	-58.3	-93.2	0	0	0	109.4	F536 I537 R538 L568 V569 L698	F536-N557 HydrophobicContact CE2-CB 4.26Å; I537-N557 CarbonylContact O-C 3.46Å; I537-N557 WeakPolarHBondContact O-CA 3.38Å; R538-N557 VanDerWaalsContact CZ-OD1 3.22Å; R538-N557 PolarHBondContact NE-OD1 3.13Å; R538-N557 PolarHBondContact NH2-OD1 2.85Å; N557-L568 CarbonylContact O-C 3.58Å; N557-L568 VanDerWaalsContact O-CA 3.24Å; N557-L568 WeakPolarHBondContact O-CA 3.48Å; N557-V569 HydrophobicContact CB-CB 4.23Å; N557-V569 WeakPolarHBondContact CB-O 3.24Å; N557-V569 PolarHBondContact N-O 2.86Å; N557-V569 PolarHBondContact ND2-O 2.79Å; N557-V569 PolarHBondContact O-N 2.96Å; N557-L698 HydrophobicContact CB-CD2 3.73Å
558	L	98.9	Very high	98.3	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.8	172.2	-76.2	72.8	0	0	0	108.6	L415 F417 F458 F536 I537 R556 L566 L567 L568	L415-L558 HydrophobicContact CD1-CD2 3.64Å; L415-L558 HydrophobicContact CD2-CD2 4.22Å; L415-L558 HydrophobicContact CG-CD2 4.27Å; F417-L558 HydrophobicContact CD2-CD1 3.7Å; F417-L558 HydrophobicContact CD2-CD2 4.35Å; F417-L558 HydrophobicContact CE2-CD1 3.92Å; F458-L558 HydrophobicContact CB-CD2 3.77Å; F458-L558 HydrophobicContact CD2-CD2 3.91Å; F458-L558 HydrophobicContact CG-CD2 3.98Å; F536-L558 WeakPolarHBondContact CA-O 3.17Å; I537-L558 HydrophobicContact CB-CB 4.3Å; I537-L558 PolarHBondContact N-O 2.94Å; I537-L558 PolarHBondContact O-N 3.4Å; R556-L558 HydrophobicContact CG-CD1 3.66Å; L558-L566 HydrophobicContact CB-CD1 4.14Å; L558-L566 HydrophobicContact CG-CD1 4.43Å; L558-L567 WeakPolarHBondContact CA-O 3.35Å; L558-L568 HydrophobicContact CD1-CD1 4.23Å; L558-L568 HydrophobicContact CD1-CG 4.4Å; L558-L568 HydrophobicContact CG-CD1 4.43Å
559	V	98.8	Very high	98.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	100.9	174.7	-169.8	0	0	0	0	108.1	V534 V535 F536 L561 L567 V696 V710 V712	V534-V559 HydrophobicContact CG1-CG1 3.98Å; V535-V559 CarbonylContact O-C 3.6Å; V535-V559 VanDerWaalsContact O-CA 3.29Å; V535-V559 WeakPolarHBondContact O-CA 3.41Å; F536-V559 HydrophobicContact CD2-CG2 4.01Å; V559-L561 HydrophobicContact CG1-CD2 3.64Å; V559-L561 HydrophobicContact CG1-CG 4.23Å; V559-L561 PolarHBondContact O-N 3.06Å; V559-L567 HydrophobicContact CB-CB 4.29Å; V559-L567 PolarHBondContact N-O 3.05Å; V559-L567 PolarHBondContact O-N 3.13Å; V559-V696 HydrophobicContact CG2-CG1 4.26Å; V559-V710 HydrophobicContact CG2-CG2 4.36Å; V559-V712 HydrophobicContact CG1-CG2 3.76Å
560	L	98.8	Very high	98.4	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	99.6	172.9	-171.6	68.1	0	0	0	108.1	Y402 P413 L415 F460 V534 V535 H562 L566	Y402-L560 HydrophobicContact CD1-CD2 3.86Å; Y402-L560 HydrophobicContact CE1-CD2 3.63Å; P413-L560 HydrophobicContact CG-CD2 4.21Å; L415-L560 HydrophobicContact CD2-CB 4.49Å; F460-L560 HydrophobicContact CE2-CD1 3.66Å; F460-L560 HydrophobicContact CZ-CD1 3.85Å; V534-L560 WeakPolarHBondContact CA-O 3.26Å; V534-L560 WeakPolarHBondContact CG1-O 3.47Å; V535-L560 HydrophobicContact CB-CB 3.92Å; V535-L560 HydrophobicContact CG2-CB 4.44Å; V535-L560 HydrophobicContact CG2-CD2 4.27Å; V535-L560 PolarHBondContact N-O 3.33Å; V535-L560 PolarHBondContact O-N 2.86Å; L560-H562 WeakPolarHBondContact CD1-O 3.35Å; L560-H562 WeakPolarHBondContact CG-O 3.13Å; L560-L566 HydrophobicContact CB-CD1 4.28Å; L560-L566 HydrophobicContact CD1-CB 3.93Å; L560-L566 HydrophobicContact CD1-CD1 4.3Å
561	L	98.6	Very high	98.4	Very high	9 Å²	9	15 Å²	15	5%	0.047	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-35.3	-176.7	-63.5	171.4	0	0	0	111.8	V559 L565 L567 Y694 V696 V712	V559-L561 HydrophobicContact CG1-CD2 3.64Å; V559-L561 HydrophobicContact CG1-CG 4.23Å; V559-L561 PolarHBondContact O-N 3.06Å; L561-L565 HydrophobicContact CB-CD2 4.37Å; L561-L565 HydrophobicContact CD1-CD2 4.3Å; L561-L565 PolarHBondContact N-O 3.43Å; L561-L567 HydrophobicContact CD1-CB 4.23Å; L561-Y694 HydrophobicContact CB-CD1 3.99Å; L561-Y694 HydrophobicContact CB-CE1 4.09Å; L561-Y694 HydrophobicContact CB-CG 4.34Å; L561-Y694 HydrophobicContact CD1-CG 4.14Å; L561-Y694 HydrophobicContact CD2-CD1 4.17Å; L561-Y694 HydrophobicContact CG-CD1 4.45Å; L561-V696 HydrophobicContact CD1-CG2 4.26Å; L561-V696 HydrophobicContact CD2-CG2 3.68Å; L561-V712 HydrophobicContact CD2-CG1 3.64Å; L561-V712 HydrophobicContact CD2-CG2 4.4Å
562	H	98.4	Very high	98.4	Very high	39 Å²	39	14.5 Å²	14.5	18%	0.181	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	154.8	177.1	177.9	-93.5	0	0	0	107.6	N411 L560 Q564 L565	N411-H562 PolarHBondContact OD1-CE1 3.25Å; N411-H562 VanDerWaalsContact OD1-CE1 3.25Å; L560-H562 WeakPolarHBondContact CD1-O 3.35Å; L560-H562 WeakPolarHBondContact CG-O 3.13Å; H562-Q564 PolarHBondContact ND1-N 3.01Å; H562-Q564 VanDerWaalsContact ND1-N 3.18Å; H562-Q564 PolarHBondContact O-N 3.43Å; H562-L565 HydrophobicContact CB-CB 3.87Å; H562-L565 PolarHBondContact N-O 2.91Å; H562-L565 CarbonylContact O-C 3.6Å; H562-L565 PolarHBondContact O-N 3.1Å; H562-L565 VanDerWaalsContact O-O 3.13Å
563	P	98.5	Very high	98.4	Very high	31 Å²	31	7.9 Å²	7.9	20%	0.201	4%	0.039	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45.2	-31.9	175.5	-37.7	40.4	0	0	0	116.2	N411 P413 P462	N411-P563 HydrophobicContact CB-CB 3.94Å; N411-P563 HydrophobicContact CB-CG 4.15Å; P413-P563 HydrophobicContact CB-CB 4.33Å; P413-P563 WeakPolarHBondContact CB-O 3.4Å; P413-P563 HydrophobicContact CG-CB 3.91Å; P413-P563 HydrophobicContact CG-CG 4.44Å; P462-P563 WeakPolarHBondContact CA-O 3.12Å; P462-P563 WeakPolarHBondContact CB-O 3.1Å
564	Q	98.6	Very high	98.5	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108	11.6	179	-63.8	-168.9	64.2	0	0	114.1	N411 P462 N463 H562 I665 G666 S668 I669	N411-Q564 PolarHBondContact OD1-NE2 2.87Å; P462-Q564 HydrophobicContact CB-CB 4.44Å; P462-Q564 HydrophobicContact CB-CG 4.19Å; N463-Q564 VanDerWaalsContact ND2-CD 3.33Å; N463-Q564 PolarHBondContact ND2-OE1 2.91Å; N463-Q564 VanDerWaalsContact OD1-CG 3.26Å; N463-Q564 WeakPolarHBondContact OD1-CG 3.08Å; N463-Q564 PolarHBondContact OD1-NE2 2.8Å; H562-Q564 PolarHBondContact ND1-N 3.01Å; H562-Q564 VanDerWaalsContact ND1-N 3.18Å; H562-Q564 PolarHBondContact O-N 3.43Å; Q564-I665 CarbonylContact O-C 3.5Å; Q564-I665 WeakPolarHBondContact O-CA 3.49Å; Q564-G666 PolarHBondContact O-N 3.08Å; Q564-S668 PolarHBondContact NE2-OG 3.5Å; Q564-S668 PolarHBondContact OE1-OG 2.95Å; Q564-I669 HydrophobicContact CB-CG1 3.75Å
565	L	98.8	Very high	98.4	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	101	-177.9	-166.5	65.2	0	0	0	110.6	L561 H562 L663 F664 I665 I669 V671 V687 T689 Y694	L561-L565 HydrophobicContact CB-CD2 4.37Å; L561-L565 HydrophobicContact CD1-CD2 4.3Å; L561-L565 PolarHBondContact N-O 3.43Å; H562-L565 HydrophobicContact CB-CB 3.87Å; H562-L565 PolarHBondContact N-O 2.91Å; H562-L565 CarbonylContact O-C 3.6Å; H562-L565 PolarHBondContact O-N 3.1Å; H562-L565 VanDerWaalsContact O-O 3.13Å; L565-L663 HydrophobicContact CD1-CD1 3.75Å; L565-L663 HydrophobicContact CD1-CD2 4.26Å; L565-L663 HydrophobicContact CD1-CG 3.98Å; L565-L663 HydrophobicContact CG-CD1 4.15Å; L565-F664 WeakPolarHBondContact CA-O 3.31Å; L565-I665 HydrophobicContact CD1-CG1 3.89Å; L565-I665 HydrophobicContact CD1-CG2 4.5Å; L565-I669 HydrophobicContact CD1-CG2 4.35Å; L565-V671 HydrophobicContact CD1-CG2 4.08Å; L565-V687 HydrophobicContact CD2-CG1 4.14Å; L565-T689 HydrophobicContact CD2-CG2 4.12Å; L565-Y694 HydrophobicContact CD2-CD2 4.06Å; L565-Y694 HydrophobicContact CD2-CE2 3.92Å
566	L	98.9	Very high	98.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128	177.8	171.5	68.8	0	0	0	109.7	L415 F458 F460 L558 L560 F664	L415-L566 HydrophobicContact CD1-CD1 4.39Å; L415-L566 HydrophobicContact CD1-CD2 3.83Å; L415-L566 HydrophobicContact CD2-CD1 4.37Å; F458-L566 HydrophobicContact CD2-CD2 4.21Å; F458-L566 HydrophobicContact CE2-CD2 3.84Å; F460-L566 HydrophobicContact CB-CD2 4.02Å; F460-L566 HydrophobicContact CD1-CB 4.1Å; F460-L566 HydrophobicContact CD1-CD2 3.88Å; F460-L566 HydrophobicContact CD2-CD2 4.13Å; F460-L566 HydrophobicContact CE1-CB 3.71Å; F460-L566 HydrophobicContact CE1-CD2 4.35Å; F460-L566 HydrophobicContact CE2-CB 4.29Å; F460-L566 HydrophobicContact CG-CD2 3.76Å; F460-L566 HydrophobicContact CZ-CB 3.81Å; L558-L566 HydrophobicContact CB-CD1 4.14Å; L558-L566 HydrophobicContact CG-CD1 4.43Å; L560-L566 HydrophobicContact CB-CD1 4.28Å; L560-L566 HydrophobicContact CD1-CB 3.93Å; L560-L566 HydrophobicContact CD1-CD1 4.3Å; L566-F664 HydrophobicContact CB-CB 4.19Å; L566-F664 HydrophobicContact CB-CD2 4.35Å; L566-F664 HydrophobicContact CD2-CD2 4.05Å; L566-F664 HydrophobicContact CG-CD2 4.12Å; L566-F664 PolarHBondContact N-O 3.08Å; L566-F664 PolarHBondContact O-N 2.9Å
567	L	98.9	Very high	98	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	130.1	169.9	176.9	70.1	0	0	0	109.1	L558 V559 L561 V569 I661 L663 V685 V696	L558-L567 WeakPolarHBondContact CA-O 3.35Å; V559-L567 HydrophobicContact CB-CB 4.29Å; V559-L567 PolarHBondContact N-O 3.05Å; V559-L567 PolarHBondContact O-N 3.13Å; L561-L567 HydrophobicContact CD1-CB 4.23Å; L567-V569 HydrophobicContact CD2-CG2 4.39Å; L567-V569 HydrophobicContact CG-CG2 4.23Å; L567-I661 HydrophobicContact CD1-CG2 3.45Å; L567-I661 VanDerWaalsContact CD1-CG2 3.45Å; L567-L663 HydrophobicContact CB-CD1 4.39Å; L567-L663 HydrophobicContact CD1-CD1 4.28Å; L567-V685 HydrophobicContact CD1-CG1 3.95Å; L567-V685 HydrophobicContact CD2-CB 4.13Å; L567-V685 HydrophobicContact CD2-CG1 4.1Å; L567-V685 HydrophobicContact CD2-CG2 4.33Å; L567-V696 HydrophobicContact CD2-CB 3.9Å; L567-V696 HydrophobicContact CD2-CG1 3.98Å; L567-V696 HydrophobicContact CD2-CG2 3.74Å
568	L	98.9	Very high	98	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	134.2	170.6	-172.6	156.4	0	0	0	109.5	F458 R556 N557 L558 I661 Y662 F664	F458-L568 HydrophobicContact CD1-CD1 3.74Å; F458-L568 HydrophobicContact CE1-CD1 3.37Å; F458-L568 HydrophobicContact CE2-CD1 4.38Å; F458-L568 HydrophobicContact CG-CD1 4.39Å; F458-L568 HydrophobicContact CZ-CD1 3.73Å; R556-L568 HydrophobicContact CG-CD1 4.25Å; R556-L568 HydrophobicContact CG-CD2 4.27Å; R556-L568 HydrophobicContact CG-CG 4.2Å; N557-L568 CarbonylContact O-C 3.58Å; N557-L568 VanDerWaalsContact O-CA 3.24Å; N557-L568 WeakPolarHBondContact O-CA 3.48Å; L558-L568 HydrophobicContact CD1-CD1 4.23Å; L558-L568 HydrophobicContact CD1-CG 4.4Å; L558-L568 HydrophobicContact CG-CD1 4.43Å; L568-I661 CarbonylContact O-C 3.52Å; L568-I661 WeakPolarHBondContact O-CA 3.49Å; L568-Y662 HydrophobicContact CB-CD2 4.41Å; L568-Y662 HydrophobicContact CD2-CD2 3.46Å; L568-Y662 VanDerWaalsContact CD2-CD2 3.46Å; L568-Y662 HydrophobicContact CD2-CE2 3.88Å; L568-Y662 HydrophobicContact CD2-CG 4.43Å; L568-Y662 HydrophobicContact CG-CD2 4.48Å; L568-Y662 PolarHBondContact N-O 2.89Å; L568-Y662 PolarHBondContact O-N 3.39Å; L568-F664 HydrophobicContact CB-CE2 3.9Å; L568-F664 HydrophobicContact CD1-CE2 4.47Å
569	V	98.8	Very high	97.9	Very high	2 Å²	2	24.5 Å²	24.5	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	113.3	174.2	179.9	0	0	0	0	109.5	N557 L567 V660 I661 L683 L698	N557-V569 HydrophobicContact CB-CB 4.23Å; N557-V569 WeakPolarHBondContact CB-O 3.24Å; N557-V569 PolarHBondContact N-O 2.86Å; N557-V569 PolarHBondContact ND2-O 2.79Å; N557-V569 PolarHBondContact O-N 2.96Å; L567-V569 HydrophobicContact CD2-CG2 4.39Å; L567-V569 HydrophobicContact CG-CG2 4.23Å; V569-V660 WeakPolarHBondContact CA-O 3.42Å; V569-I661 HydrophobicContact CG2-CG1 4.28Å; V569-I661 HydrophobicContact CG2-CG2 4.21Å; V569-L683 HydrophobicContact CG1-CD2 3.49Å; V569-L683 VanDerWaalsContact CG1-CD2 3.49Å; V569-L683 HydrophobicContact CG2-CD2 4.24Å; V569-L698 HydrophobicContact CB-CD2 4.17Å; V569-L698 HydrophobicContact CG1-CD2 4.4Å; V569-L698 HydrophobicContact CG2-CD1 4.07Å; V569-L698 HydrophobicContact CG2-CD2 4.36Å
570	D	98.6	Very high	97.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	132.1	167.8	-77.1	-32.7	0	0	0	109.5	Q555 R556 R659 V660	Q555-D570 CarbonylContact O-C 3.47Å; Q555-D570 WeakPolarHBondContact O-CA 3.45Å; R556-D570 WeakPolarHBondContact CA-OD1 3.21Å; R556-D570 WeakPolarHBondContact CB-OD1 3.37Å; R556-D570 VanDerWaalsContact CG-OD1 3.29Å; R556-D570 WeakPolarHBondContact CG-OD1 3.16Å; R556-D570 IonicContact CZ-OD1 3.73Å; R556-D570 IonicContact CZ-OD2 2.72Å; R556-D570 IonicContact NE-OD1 3.24Å; R556-D570 PolarHBondContact NE-OD1 3.09Å; R556-D570 IonicContact NE-OD2 2.64Å; R556-D570 PolarHBondContact NE-OD2 2.89Å; R556-D570 IonicContact NH2-OD1 3.33Å; R556-D570 IonicContact NH2-OD2 3.53Å; R556-D570 PolarHBondContact NH2-OD2 2.89Å; D570-R659 CarbonylContact O-C 3.59Å; D570-R659 WeakPolarHBondContact O-CA 3.4Å; D570-V660 PolarHBondContact N-O 2.67Å; D570-V660 PolarHBondContact O-N 3.04Å
571	Q	97.9	Very high	97.8	Very high	4 Å²	4	31.6 Å²	31.6	2%	0.019	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	114.3	174.7	-179.8	-177.7	-67.4	0	0	109.2	Q555 I657 R659 T700	Q555-Q571 HydrophobicContact CB-CB 4.36Å; Q555-Q571 PolarHBondContact N-O 3.1Å; Q555-Q571 PolarHBondContact O-N 2.67Å; Q571-I657 HydrophobicContact CG-CG2 4.17Å; Q571-R659 HydrophobicContact CB-CG 4.15Å; Q571-R659 HydrophobicContact CG-CG 3.97Å; Q571-T700 PolarHBondContact NE2-O 2.91Å
572	I	98.2	Very high	97.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	118	-178	-57.3	159.5	0	0	0	107	L484 F486 L551 L554 L574 A583 L653 I657 T658	L484-I572 HydrophobicContact CD2-CD1 3.95Å; L484-I572 HydrophobicContact CD2-CG1 4.47Å; F486-I572 HydrophobicContact CE1-CD1 4.11Å; F486-I572 HydrophobicContact CE1-CG1 4.39Å; F486-I572 HydrophobicContact CE1-CG2 4.11Å; L551-I572 HydrophobicContact CD2-CG2 3.99Å; L554-I572 HydrophobicContact CD1-CG1 3.86Å; I572-L574 HydrophobicContact CG2-CD2 3.84Å; I572-L574 HydrophobicContact CG2-CG 4.45Å; I572-A583 HydrophobicContact CD1-CB 3.83Å; I572-L653 HydrophobicContact CB-CD2 4.44Å; I572-L653 HydrophobicContact CD1-CD2 3.7Å; I572-L653 HydrophobicContact CG2-CD2 4.19Å; I572-I657 WeakPolarHBondContact O-CA 3.49Å; I572-T658 PolarHBondContact N-O 2.96Å; I572-T658 PolarHBondContact O-N 2.81Å
573	H	96.8	Very high	97.8	Very high	20 Å²	20	29.9 Å²	29.9	9%	0.093	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.6	176.7	-172.3	168.1	0	0	0	108.3	R552 K553 P656 I657	R552-H573 WeakPolarHBondContact CA-O 3.18Å; R552-H573 HydrophobicContact CB-CB 4.42Å; R552-H573 WeakPolarHBondContact CB-O 3.36Å; R552-H573 PolarHBondContact N-O 3.48Å; R552-H573 PolarHBondContact NH1-CE1 3.22Å; R552-H573 VanDerWaalsContact NH1-CE1 3.34Å; R552-H573 PolarHBondContact NH1-NE2 2.97Å; K553-H573 HydrophobicContact CB-CB 3.87Å; K553-H573 HydrophobicContact CG-CB 4.35Å; K553-H573 PolarHBondContact N-O 2.82Å; K553-H573 VanDerWaalsContact N-O 3.16Å; K553-H573 PolarHBondContact O-N 3.1Å; H573-P656 WeakPolarHBondContact CA-O 3.45Å; H573-I657 HydrophobicContact CB-CG1 4.3Å
574	L	97.6	Very high	97.8	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.026	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	149.6	179.2	-56.3	-174.7	0	0	0	111.2	L551 I572 L580 L653 P656	L551-L574 HydrophobicContact CD2-CD2 3.7Å; I572-L574 HydrophobicContact CG2-CD2 3.84Å; I572-L574 HydrophobicContact CG2-CG 4.45Å; L574-L580 HydrophobicContact CD1-CB 4.22Å; L574-L580 HydrophobicContact CD2-CB 4.35Å; L574-L580 HydrophobicContact CD2-CD1 3.9Å; L574-L653 HydrophobicContact CD1-CB 4.21Å; L574-L653 HydrophobicContact CD1-CD1 4.14Å; L574-P656 PolarHBondContact N-O 3.15Å
575	E	96.8	Very high	97.8	Very high	87 Å²	87	28.5 Å²	28.5	41%	0.407	15%	0.151	S	C	.	.			trans	-69.7	160.9	162.4	-59.7	179.6	-171.5	0	0	110.7	K550 R552 D577 S578 H655	K550-E575 HydrophobicContact CB-CB 3.92Å; K550-E575 HydrophobicContact CB-CG 4.06Å; K550-E575 PolarHBondContact O-N 2.84Å; R552-E575 HydrophobicContact CB-CG 4.18Å; E575-D577 PolarHBondContact O-N 3.02Å; E575-D577 VanDerWaalsContact O-N 3.14Å; E575-S578 WeakPolarHBondContact O-CB 3.14Å; E575-S578 PolarHBondContact O-N 3.09Å; E575-S578 VanDerWaalsContact O-N 3.15Å; E575-H655 PolarHBondContact O-NE2 3.17Å; E575-H655 VanDerWaalsContact O-NE2 3.12Å
576	D	93.9	Very high	97.8	Very high	145 Å²	145	28.9 Å²	28.9	78%	0.775	15%	0.152	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.3	-175.6	-69.8	-14.6	0	0	0	113.5	H655	D576-H655 VanDerWaalsContact CA-NE2 3.3Å; D576-H655 WeakPolarHBondContact CA-NE2 3.19Å; D576-H655 IonicContact OD1-CE1 3.46Å; D576-H655 PolarHBondContact OD1-CE1 3.26Å; D576-H655 VanDerWaalsContact OD1-CE1 3.31Å; D576-H655 IonicContact OD1-NE2 2.8Å
577	D	95.4	Very high	97.8	Very high	100 Å²	100	28.9 Å²	28.9	54%	0.535	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.9	24.5	-177.3	67.6	-14.3	0	0	0	112.7	K550 E575	K550-D577 WeakPolarHBondContact CD-O 3.4Å; K550-D577 WeakPolarHBondContact CD-OD1 3.3Å; K550-D577 PolarHBondContact NZ-O 3.23Å; K550-D577 IonicContact NZ-OD1 3.4Å; K550-D577 PolarHBondContact NZ-OD1 2.86Å; K550-D577 VanDerWaalsContact NZ-OD1 3.15Å; K550-D577 IonicContact NZ-OD2 3.21Å; K550-D577 PolarHBondContact NZ-OD2 2.92Å; E575-D577 PolarHBondContact O-N 3.02Å; E575-D577 VanDerWaalsContact O-N 3.14Å
578	S	97.8	Very high	97.8	Very high	20 Å²	20	28.9 Å²	28.9	14%	0.14	15%	0.152	C	C	.	.			trans	-63.2	138.4	171.3	179.8	0	0	0	0	110.8	L549 E575 L580	L549-S578 PolarHBondContact O-OG 2.9Å; E575-S578 WeakPolarHBondContact O-CB 3.14Å; E575-S578 PolarHBondContact O-N 3.09Å; E575-S578 VanDerWaalsContact O-N 3.15Å; S578-L580 VanDerWaalsContact C-N 3.27Å; S578-L580 PolarHBondContact O-N 2.71Å; S578-L580 PolarHBondContact OG-N 2.93Å
579	P	96.6	Very high	97.8	Very high	50 Å²	50	29 Å²	29	33%	0.325	15%	0.153	S	C	.	.			trans	-82.3	-4.9	177.8	33.4	-33.6	0	0	0	113.3	P488 V490	P488-P579 WeakPolarHBondContact CD-O 3.25Å; P488-P579 WeakPolarHBondContact CG-O 3.45Å; V490-P579 HydrophobicContact CG1-CB 4.34Å; V490-P579 HydrophobicContact CG1-CG 3.4Å; V490-P579 VanDerWaalsContact CG1-CG 3.4Å
580	L	98.2	Very high	97.8	Very high	11 Å²	11	29.7 Å²	29.7	6%	0.058	16%	0.157	C	C	.	.			trans	-73.6	135.4	-169.3	-65.7	-176.2	0	0	0	113	F486 S487 L549 L551 L574 S578 L653	F486-L580 HydrophobicContact CB-CD1 3.92Å; F486-L580 HydrophobicContact CB-CD2 3.67Å; F486-L580 HydrophobicContact CB-CG 4.43Å; F486-L580 HydrophobicContact CD1-CD1 3.78Å; F486-L580 HydrophobicContact CG-CD1 3.91Å; S487-L580 WeakPolarHBondContact O-CA 3.22Å; L549-L580 HydrophobicContact CB-CD1 4.15Å; L549-L580 HydrophobicContact CB-CD2 4.47Å; L549-L580 HydrophobicContact CB-CG 4.41Å; L549-L580 HydrophobicContact CD2-CD2 3.72Å; L551-L580 HydrophobicContact CD2-CD1 3.69Å; L551-L580 HydrophobicContact CG-CD1 4.13Å; L574-L580 HydrophobicContact CD1-CB 4.22Å; L574-L580 HydrophobicContact CD2-CB 4.35Å; L574-L580 HydrophobicContact CD2-CD1 3.9Å; S578-L580 VanDerWaalsContact C-N 3.27Å; S578-L580 PolarHBondContact O-N 2.71Å; S578-L580 PolarHBondContact OG-N 2.93Å; L580-L653 HydrophobicContact CB-CD1 3.69Å; L580-L653 HydrophobicContact CD1-CD1 4.39Å
581	E	98	Very high	97.7	Very high	139 Å²	139	32.3 Å²	32.3	65%	0.65	17%	0.171	S	C	*	.			trans	-118.2	-27.8	-179.6	-63.6	-177.8	-178.5	0	0	112.5	S487 L653	S487-E581 PolarHBondContact O-N 2.74Å; E581-L653 PolarHBondContact O-N 3.13Å
582	A	98.1	Very high	97.7	Very high	8 Å²	8	34.1 Å²	34.1	7%	0.066	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	154.3	179.1	0	0	0	0	0	112.7	F486 S487 W498 T651 L652	F486-A582 WeakPolarHBondContact CA-O 3.31Å; S487-A582 PolarHBondContact N-O 2.84Å; S487-A582 PolarHBondContact O-N 2.91Å; S487-A582 VanDerWaalsContact O-N 3.14Å; W498-A582 HydrophobicContact CH2-CB 4.13Å; W498-A582 HydrophobicContact CZ3-CB 4.44Å; A582-T651 WeakPolarHBondContact CA-O 3.43Å; A582-L652 HydrophobicContact CB-CD2 4.44Å
583	A	98.4	Very high	97.7	Very high	4 Å²	4	37.3 Å²	37.3	3%	0.033	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	153	166	0	0	0	0	0	109.8	L484 M485 F486 I572 T650 T651 L653	L484-A583 HydrophobicContact CD2-CB 4.43Å; M485-A583 CarbonylContact O-C 3.54Å; M485-A583 WeakPolarHBondContact O-CA 3.38Å; F486-A583 HydrophobicContact CD1-CB 3.76Å; F486-A583 HydrophobicContact CE1-CB 3.74Å; I572-A583 HydrophobicContact CD1-CB 3.83Å; A583-T650 CarbonylContact O-C 3.57Å; A583-T650 WeakPolarHBondContact O-CA 3.42Å; A583-T651 PolarHBondContact N-O 2.86Å; A583-T651 PolarHBondContact O-N 3.27Å; A583-L653 HydrophobicContact CB-CD1 4.5Å; A583-L653 HydrophobicContact CB-CD2 3.87Å; A583-L653 HydrophobicContact CB-CG 4.41Å
584	T	98.4	Very high	97.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	132.8	171.5	176.1	0	0	0	0	110	L484 M485 W498 F586 N648 V649	L484-T584 CarbonylContact C-O 3.59Å; L484-T584 WeakPolarHBondContact CA-O 3.45Å; M485-T584 HydrophobicContact CB-CG2 3.74Å; M485-T584 PolarHBondContact N-O 3.46Å; M485-T584 PolarHBondContact O-N 2.89Å; W498-T584 HydrophobicContact CD2-CG2 3.84Å; W498-T584 HydrophobicContact CE3-CG2 3.4Å; W498-T584 VanDerWaalsContact CE3-CG2 3.4Å; W498-T584 HydrophobicContact CH2-CG2 3.74Å; W498-T584 HydrophobicContact CZ2-CG2 4.15Å; W498-T584 HydrophobicContact CZ3-CG2 3.36Å; T584-F586 HydrophobicContact CG2-CE2 3.64Å; T584-F586 HydrophobicContact CG2-CZ 3.85Å; T584-N648 PolarHBondContact OG1-ND2 2.95Å; T584-N648 VanDerWaalsContact OG1-ND2 3.15Å; T584-N648 PolarHBondContact OG1-OD1 2.93Å; T584-V649 CarbonylContact C-O 3.56Å; T584-V649 VanDerWaalsContact CA-O 3.31Å; T584-V649 WeakPolarHBondContact CA-O 3.33Å
585	S	98.7	Very high	97.8	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.021	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	134.3	179.1	-62.6	0	0	0	0	110.2	N648 V649 Y662	S585-N648 WeakPolarHBondContact O-CA 3.45Å; S585-V649 PolarHBondContact N-O 3.2Å; S585-V649 PolarHBondContact O-N 3.01Å; S585-Y662 VanDerWaalsContact CB-OH 3.31Å; S585-Y662 WeakPolarHBondContact CB-OH 3.48Å; S585-Y662 PolarHBondContact OG-OH 2.8Å
586	F	98.9	Very high	97.9	Very high	9 Å²	9	41.1 Å²	41.1	4%	0.039	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	141.9	179.4	-62	-88.7	0	0	0	111.7	F479 N482 V483 M485 T584 Y646 V647 N648	F479-F586 HydrophobicContact CB-CD1 3.86Å; F479-F586 HydrophobicContact CB-CD2 3.81Å; F479-F586 HydrophobicContact CB-CE1 3.55Å; F479-F586 HydrophobicContact CB-CE2 3.48Å; F479-F586 VanDerWaalsContact CB-CE2 3.48Å; F479-F586 HydrophobicContact CB-CG 3.99Å; F479-F586 HydrophobicContact CB-CZ 3.36Å; F479-F586 HydrophobicContact CG-CE1 4.43Å; F479-F586 HydrophobicContact CG-CZ 4.43Å; N482-F586 CarbonylContact C-O 3.57Å; N482-F586 VanDerWaalsContact CA-O 3.24Å; N482-F586 WeakPolarHBondContact CA-O 3.42Å; V483-F586 PolarHBondContact O-N 3.05Å; M485-F586 HydrophobicContact CB-CE2 4.3Å; M485-F586 HydrophobicContact CG-CE2 3.87Å; M485-F586 HydrophobicContact SD-CE2 3.82Å; M485-F586 HydrophobicContact SD-CZ 4.21Å; T584-F586 HydrophobicContact CG2-CE2 3.64Å; T584-F586 HydrophobicContact CG2-CZ 3.85Å; F586-Y646 AromaticContact CD1-CD2 3.76Å; F586-Y646 HydrophobicContact CD1-CD2 3.76Å; F586-Y646 AromaticContact CD1-CE2 3.96Å; F586-Y646 HydrophobicContact CD1-CE2 3.96Å; F586-Y646 HydrophobicContact CD1-CG 4.49Å; F586-Y646 HydrophobicContact CE1-CD2 4.23Å; F586-Y646 AromaticContact CE1-CE2 3.96Å; F586-Y646 HydrophobicContact CE1-CE2 3.96Å; F586-V647 CarbonylContact C-O 3.42Å; F586-V647 WeakPolarHBondContact CA-O 3.48Å; F586-N648 HydrophobicContact CD1-CB 4Å; F586-N648 HydrophobicContact CE1-CB 3.76Å; F586-N648 WeakPolarHBondContact CE1-ND2 3.34Å
587	F	98.9	Very high	98.1	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	122.5	176.5	-54.1	-84.2	0	0	0	110	F458 I468 N482 F594 M616 Y646 V647 V649 Y662 F664	F458-F587 AromaticContact CE1-CD1 3.84Å; F458-F587 HydrophobicContact CE1-CD1 3.84Å; F458-F587 AromaticContact CE1-CE1 3.75Å; F458-F587 HydrophobicContact CE1-CE1 3.75Å; F458-F587 AromaticContact CZ-CD1 3.96Å; F458-F587 HydrophobicContact CZ-CD1 3.96Å; F458-F587 HydrophobicContact CZ-CE1 4.03Å; I468-F587 HydrophobicContact CD1-CB 4.3Å; N482-F587 WeakPolarHBondContact OD1-CA 3.43Å; F587-F594 WeakPolarHBondContact O-CE2 3.24Å; F587-M616 HydrophobicContact CB-CE 4.27Å; F587-M616 HydrophobicContact CB-SD 4.3Å; F587-M616 HydrophobicContact CD1-CE 4.23Å; F587-M616 HydrophobicContact CD2-CE 3.59Å; F587-M616 HydrophobicContact CE1-CE 4.5Å; F587-M616 HydrophobicContact CE2-CE 3.9Å; F587-M616 HydrophobicContact CG-CE 3.76Å; F587-M616 HydrophobicContact CG-SD 4.42Å; F587-M616 HydrophobicContact CZ-CE 4.34Å; F587-Y646 CarbonylContact O-C 3.44Å; F587-Y646 WeakPolarHBondContact O-CA 3.25Å; F587-Y646 WeakPolarHBondContact O-CB 3.45Å; F587-V647 HydrophobicContact CB-CB 4.48Å; F587-V647 PolarHBondContact N-O 2.78Å; F587-V647 PolarHBondContact O-N 3.27Å; F587-V649 HydrophobicContact CD2-CG2 4.24Å; F587-V649 HydrophobicContact CE2-CB 4.46Å; F587-V649 HydrophobicContact CE2-CG2 3.92Å; F587-Y662 HydrophobicContact CE1-CD1 4.47Å; F587-Y662 AromaticContact CE2-CD1 3.76Å; F587-Y662 HydrophobicContact CE2-CD1 3.76Å; F587-Y662 AromaticContact CE2-CE1 3.51Å; F587-Y662 HydrophobicContact CE2-CE1 3.51Å; F587-Y662 AromaticContact CZ-CD1 3.49Å; F587-Y662 HydrophobicContact CZ-CD1 3.49Å; F587-Y662 VanDerWaalsContact CZ-CD1 3.49Å; F587-Y662 HydrophobicContact CZ-CD2 4.26Å; F587-Y662 AromaticContact CZ-CE1 3.45Å; F587-Y662 HydrophobicContact CZ-CE1 3.45Å; F587-Y662 VanDerWaalsContact CZ-CE1 3.45Å; F587-Y662 HydrophobicContact CZ-CE2 4.19Å; F587-Y662 AromaticContact CZ-CG 3.93Å; F587-Y662 HydrophobicContact CZ-CG 3.93Å; F587-Y662 AromaticContact CZ-CZ 3.81Å; F587-F664 HydrophobicContact CD1-CE1 4.15Å; F587-F664 AromaticContact CD1-CZ 3.88Å; F587-F664 HydrophobicContact CD1-CZ 3.88Å; F587-F664 HydrophobicContact CE1-CE1 4.42Å; F587-F664 AromaticContact CE1-CZ 3.71Å; F587-F664 HydrophobicContact CE1-CZ 3.71Å; F587-F664 HydrophobicContact CZ-CZ 4.47Å
588	H	98.9	Very high	98.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	148.6	-168.1	-71.6	-98.6	0	0	0	113.3	I468 T469 F479 N482 T644 N645 Y646	I468-H588 CarbonylContact C-O 3.3Å; I468-H588 WeakPolarHBondContact CA-O 3.43Å; T469-H588 PolarHBondContact N-O 3.19Å; T469-H588 WeakPolarHBondContact O-CB 3.46Å; F479-H588 PolarHBondContact O-CE1 2.86Å; F479-H588 PolarHBondContact O-NE2 3.01Å; N482-H588 PolarHBondContact OD1-CD2 3.39Å; N482-H588 PolarHBondContact OD1-N 2.77Å; H588-T644 WeakPolarHBondContact ND1-CG2 3.31Å; H588-T644 PolarHBondContact ND1-OG1 2.84Å; H588-T644 VanDerWaalsContact ND1-OG1 3.1Å; H588-N645 CarbonylContact C-O 3.42Å; H588-N645 VanDerWaalsContact CA-O 3.28Å; H588-N645 WeakPolarHBondContact CA-O 3.44Å; H588-Y646 VanDerWaalsContact CE1-CB 3.49Å; H588-Y646 WeakPolarHBondContact CE1-CB 3.48Å; H588-Y646 AromaticContact CE1-CD1 3.66Å; H588-Y646 AromaticContact CE1-CG 3.8Å
589	N	98.8	Very high	98	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.011	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	115.7	158.8	-170.8	-60.6	0	0	0	108.2	P466 F467 T469 D591 V592 F594 I607 N645	P466-N589 PolarHBondContact O-ND2 3.17Å; F467-N589 PolarHBondContact O-ND2 3.32Å; T469-N589 WeakPolarHBondContact OG1-CA 3.31Å; N589-D591 VanDerWaalsContact C-N 3.31Å; N589-D591 PolarHBondContact O-N 2.99Å; N589-D591 PolarHBondContact OD1-N 2.79Å; N589-D591 VanDerWaalsContact OD1-N 3.08Å; N589-V592 WeakPolarHBondContact CB-O 3.45Å; N589-V592 PolarHBondContact OD1-N 3.18Å; N589-V592 PolarHBondContact OD1-O 3.06Å; N589-F594 HydrophobicContact CB-CE2 3.72Å; N589-F594 HydrophobicContact CB-CZ 3.79Å; N589-I607 WeakPolarHBondContact ND2-CD1 3.31Å; N589-N645 PolarHBondContact N-O 2.68Å; N589-N645 WeakPolarHBondContact O-CB 3.46Å; N589-N645 PolarHBondContact O-N 3.27Å; N589-N645 PolarHBondContact O-ND2 2.76Å
590	V	98.3	Very high	97.8	Very high	16 Å²	16	42 Å²	42	10%	0.097	23%	0.228	C	C	.	.	S	Bend	trans	-69.7	-29.5	-173	69.9	0	0	0	0	112.9	Y316 T469 L472 G643	Y316-V590 HydrophobicContact CE1-CG1 3.92Å; T469-V590 PolarHBondContact OG1-N 2.86Å; L472-V590 HydrophobicContact CD1-CG2 3.81Å; L472-V590 HydrophobicContact CG-CG2 4Å; V590-G643 WeakPolarHBondContact CG2-O 3.5Å
591	D	97.4	Very high	97.5	Very high	55 Å²	55	49.8 Å²	49.8	29%	0.294	26%	0.264	S	S	.	.	S	Bend	trans	-98.1	-37.1	-172.2	-63.4	-62.8	0	0	0	113.1	R307 Y316 N589	R307-D591 IonicContact CZ-OD2 2.68Å; R307-D591 IonicContact NH1-OD2 3.47Å; R307-D591 PolarHBondContact NH1-OD2 2.64Å; R307-D591 IonicContact NH2-OD1 3.13Å; R307-D591 IonicContact NH2-OD2 3.77Å; R307-D591 PolarHBondContact NH2-OD2 3.23Å; Y316-D591 PolarHBondContact OH-OD1 2.94Å; N589-D591 VanDerWaalsContact C-N 3.31Å; N589-D591 PolarHBondContact O-N 2.99Å; N589-D591 PolarHBondContact OD1-N 2.79Å; N589-D591 VanDerWaalsContact OD1-N 3.08Å
592	V	98.1	Very high	97.5	Very high	42 Å²	42	44.3 Å²	44.3	26%	0.255	24%	0.24	S	C	.	.	S	Bend	trans	-124.9	126.8	-168.1	-174.2	0	0	0	0	110.2	N589 I607	N589-V592 WeakPolarHBondContact CB-O 3.45Å; N589-V592 PolarHBondContact OD1-N 3.18Å; N589-V592 PolarHBondContact OD1-O 3.06Å; V592-I607 HydrophobicContact CB-CB 4.49Å; V592-I607 HydrophobicContact CB-CG2 4.49Å; V592-I607 HydrophobicContact CG1-CB 3.99Å; V592-I607 HydrophobicContact CG1-CG2 4.25Å
593	P	97.9	Very high	97.5	Very high	68 Å²	68	46.2 Å²	46.2	44%	0.442	25%	0.247	S	C	.	.			trans	-70.2	151.4	174.9	30	-34.7	0	0	0	111.9	N645	P593-N645 HydrophobicContact CB-CB 4.25Å
594	F	98.8	Very high	97.5	Very high	11 Å²	11	46.2 Å²	46.2	5%	0.048	25%	0.248	C	C	.	.			trans	-80.7	150.5	174.8	-65.8	-92.9	0	0	0	111.6	F467 I468 F587 N589 A605 F606 I607 M616 I630 V647	F467-F594 AromaticContact CE2-CE1 3.94Å; F467-F594 HydrophobicContact CE2-CE1 3.94Å; I468-F594 HydrophobicContact CD1-CE1 4.34Å; I468-F594 HydrophobicContact CD1-CZ 4.2Å; F587-F594 WeakPolarHBondContact O-CE2 3.24Å; N589-F594 HydrophobicContact CB-CE2 3.72Å; N589-F594 HydrophobicContact CB-CZ 3.79Å; F594-A605 HydrophobicContact CB-CB 4.3Å; F594-A605 HydrophobicContact CD1-CB 4.14Å; F594-F606 CarbonylContact C-O 3.52Å; F594-F606 WeakPolarHBondContact CA-O 3.48Å; F594-I607 HydrophobicContact CD1-CG2 3.66Å; F594-I607 HydrophobicContact CE1-CG2 3.85Å; F594-I607 HydrophobicContact CG-CG2 4.09Å; F594-I607 HydrophobicContact CZ-CG2 4.43Å; F594-M616 HydrophobicContact CE1-SD 4.34Å; F594-I630 HydrophobicContact CB-CD1 3.92Å; F594-I630 HydrophobicContact CB-CG1 4.5Å; F594-I630 HydrophobicContact CB-CG2 3.97Å; F594-I630 WeakPolarHBondContact O-CG2 3.23Å; F594-V647 HydrophobicContact CB-CG2 3.73Å; F594-V647 HydrophobicContact CD1-CG2 3.6Å; F594-V647 HydrophobicContact CD2-CG2 3.62Å; F594-V647 HydrophobicContact CE1-CG2 4.05Å; F594-V647 HydrophobicContact CE2-CG2 4.05Å; F594-V647 HydrophobicContact CG-CG2 3.37Å; F594-V647 HydrophobicContact CZ-CG2 4.26Å
595	E	98.5	Very high	97.6	Very high	78 Å²	78	46.2 Å²	46.2	36%	0.364	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	144.1	169.2	-72.4	174.4	-115.8	0	0	109.5	A605 F606 R608	E595-A605 CarbonylContact O-C 3.56Å; E595-A605 WeakPolarHBondContact O-CA 3.3Å; E595-F606 HydrophobicContact CB-CD1 4.11Å; E595-F606 HydrophobicContact CB-CD2 4.16Å; E595-F606 HydrophobicContact CB-CE1 3.58Å; E595-F606 HydrophobicContact CB-CE2 3.63Å; E595-F606 HydrophobicContact CB-CG 4.39Å; E595-F606 HydrophobicContact CB-CZ 3.32Å; E595-F606 VanDerWaalsContact CD-CE2 3.48Å; E595-F606 HydrophobicContact CG-CE2 4.11Å; E595-F606 HydrophobicContact CG-CZ 4.05Å; E595-F606 PolarHBondContact N-O 3.41Å; E595-F606 WeakPolarHBondContact O-CD1 3.39Å; E595-F606 PolarHBondContact O-N 2.89Å; E595-F606 VanDerWaalsContact OE2-CZ 3.25Å; E595-F606 WeakPolarHBondContact OE2-CZ 3.43Å; E595-R608 WeakPolarHBondContact OE1-CD 3.43Å; E595-R608 IonicContact OE1-CZ 3.2Å; E595-R608 IonicContact OE1-NE 2.64Å; E595-R608 PolarHBondContact OE1-NE 2.81Å; E595-R608 IonicContact OE1-NH2 2.79Å; E595-R608 IonicContact OE2-CZ 3.43Å; E595-R608 IonicContact OE2-NE 2.94Å; E595-R608 PolarHBondContact OE2-NE 2.95Å; E595-R608 IonicContact OE2-NH2 2.78Å; E595-R608 PolarHBondContact OE2-NH2 3.09Å
596	E	97.6	Very high	97.6	Very high	103 Å²	103	47 Å²	47	48%	0.481	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	146.5	179	-59.7	-179.5	165.2	0	0	111.7	F606 K627 I630	E596-F606 WeakPolarHBondContact O-CE1 3.39Å; E596-K627 VanDerWaalsContact CD-NZ 3.32Å; E596-K627 WeakPolarHBondContact OE1-CE 3.49Å; E596-K627 IonicContact OE1-NZ 2.81Å; E596-K627 PolarHBondContact OE1-NZ 2.83Å; E596-K627 WeakPolarHBondContact OE2-CE 3.34Å; E596-K627 IonicContact OE2-NZ 3.74Å; E596-K627 PolarHBondContact OE2-NZ 3.25Å; E596-I630 HydrophobicContact CB-CD1 4.32Å; E596-I630 HydrophobicContact CG-CD1 3.47Å; E596-I630 VanDerWaalsContact CG-CD1 3.47Å; E596-I630 HydrophobicContact CG-CG1 4.19Å
597	T	97.9	Very high	97.6	Very high	39 Å²	39	46.7 Å²	46.7	24%	0.239	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	159.3	169.4	-170.9	0	0	0	0	111.1	G604 F606 Y617	T597-G604 PolarHBondContact N-O 3.04Å; T597-G604 CarbonylContact O-C 3.51Å; T597-G604 PolarHBondContact O-N 3.06Å; T597-G604 VanDerWaalsContact O-O 3.05Å; T597-F606 HydrophobicContact CG2-CD1 3.98Å; T597-Y617 HydrophobicContact CG2-CE1 3.72Å
598	V	97.2	Very high	97.5	Very high	84 Å²	84	52.9 Å²	52.9	51%	0.509	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	135.4	174.5	60.8	0	0	0	0	108.8	V602	V598-V602 WeakPolarHBondContact CA-O 3.19Å
599	V	95.1	Very high	97.3	Very high	69 Å²	69	56.6 Å²	56.6	42%	0.418	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	126.5	176.5	179.9	0	0	0	0	107.7	E601 V602 Y617	V599-E601 VanDerWaalsContact C-N 3.26Å; V599-E601 PolarHBondContact O-N 3.11Å; V599-V602 PolarHBondContact N-O 3.27Å; V599-V602 WeakPolarHBondContact O-CA 3.23Å; V599-V602 VanDerWaalsContact O-CB 3.28Å; V599-V602 WeakPolarHBondContact O-CB 3.31Å; V599-V602 PolarHBondContact O-N 2.75Å; V599-Y617 HydrophobicContact CB-CE1 4.26Å; V599-Y617 HydrophobicContact CG2-CE1 3.96Å; V599-Y617 WeakPolarHBondContact CG2-OH 3Å
600	D	91.8	Very high	97	Very high	142 Å²	142	68.5 Å²	68.5	76%	0.759	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	47.1	-179.9	-57.4	-30.9	0	0	0	113.3	V602	D600-V602 PolarHBondContact O-N 3.08Å; D600-V602 VanDerWaalsContact O-N 3.09Å
601	E	92.9	Very high	96.8	Very high	173 Å²	173	71.2 Å²	71.2	81%	0.808	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	2.7	-176.4	-53	-175.6	166.4	0	0	115.6	V599	V599-E601 VanDerWaalsContact C-N 3.26Å; V599-E601 PolarHBondContact O-N 3.11Å
602	V	97.4	Very high	96.8	Very high	25 Å²	25	69.8 Å²	69.8	15%	0.152	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	111.6	173.4	-169.7	0	0	0	0	109.6	V598 V599 D600 Y617 W618 M619	V598-V602 WeakPolarHBondContact CA-O 3.19Å; V599-V602 PolarHBondContact N-O 3.27Å; V599-V602 WeakPolarHBondContact O-CA 3.23Å; V599-V602 VanDerWaalsContact O-CB 3.28Å; V599-V602 WeakPolarHBondContact O-CB 3.31Å; V599-V602 PolarHBondContact O-N 2.75Å; D600-V602 PolarHBondContact O-N 3.08Å; D600-V602 VanDerWaalsContact O-N 3.09Å; V602-Y617 HydrophobicContact CG1-CD1 4.28Å; V602-W618 WeakPolarHBondContact CG1-O 3.17Å; V602-M619 HydrophobicContact CB-CE 4.17Å; V602-M619 HydrophobicContact CG1-CE 3.54Å; V602-M619 HydrophobicContact CG2-CE 3.45Å; V602-M619 VanDerWaalsContact CG2-CE 3.45Å
603	H	98.6	Very high	96.8	Very high	48 Å²	48	70.5 Å²	70.5	22%	0.222	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	149.4	175.4	-67.1	84.5	0	0	0	111.4	Y617 W618 S625	H603-Y617 WeakPolarHBondContact O-CA 3.34Å; H603-W618 HydrophobicContact CB-CZ2 3.72Å; H603-W618 PolarHBondContact O-N 2.99Å; H603-W618 VanDerWaalsContact O-N 3.13Å; H603-S625 WeakPolarHBondContact CB-OG 3.37Å; H603-S625 PolarHBondContact CE1-O 3.25Å; H603-S625 PolarHBondContact N-OG 2.8Å; H603-S625 PolarHBondContact ND1-O 3.17Å
604	G	98.6	Very high	96.8	Very high	4 Å²	4	67.3 Å²	67.3	4%	0.041	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	176.8	-178.4	0	0	0	0	0	112.6	T597 M616 W618	T597-G604 PolarHBondContact N-O 3.04Å; T597-G604 CarbonylContact O-C 3.51Å; T597-G604 PolarHBondContact O-N 3.06Å; T597-G604 VanDerWaalsContact O-O 3.05Å; G604-M616 CarbonylContact C-O 3.55Å; G604-M616 WeakPolarHBondContact CA-O 3.49Å; G604-W618 VanDerWaalsContact C-CZ3 3.42Å; G604-W618 VanDerWaalsContact CA-CH2 3.47Å
605	A	98.8	Very high	96.8	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	158.2	171.7	0	0	0	0	0	109.6	F594 E595 K615 M616 W618 I630 V647	F594-A605 HydrophobicContact CB-CB 4.3Å; F594-A605 HydrophobicContact CD1-CB 4.14Å; E595-A605 CarbonylContact O-C 3.56Å; E595-A605 WeakPolarHBondContact O-CA 3.3Å; A605-K615 CarbonylContact O-C 3.56Å; A605-M616 HydrophobicContact CB-CG 4.06Å; A605-M616 HydrophobicContact CB-SD 4.49Å; A605-M616 PolarHBondContact N-O 3.12Å; A605-M616 WeakPolarHBondContact O-CG 3.41Å; A605-M616 PolarHBondContact O-N 3.08Å; A605-W618 HydrophobicContact CB-CH2 4.24Å; A605-W618 HydrophobicContact CB-CZ3 4.07Å; A605-I630 HydrophobicContact CB-CD1 4.32Å; A605-V647 HydrophobicContact CB-CG1 4.36Å; A605-V647 HydrophobicContact CB-CG2 3.67Å
606	F	98.8	Very high	96.8	Very high	19 Å²	19	66.7 Å²	66.7	8%	0.083	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	161	175.6	67.9	-90.1	0	0	0	112.1	F594 E595 E596 T597 R608 I613 Y614 K615	F594-F606 CarbonylContact C-O 3.52Å; F594-F606 WeakPolarHBondContact CA-O 3.48Å; E595-F606 HydrophobicContact CB-CD1 4.11Å; E595-F606 HydrophobicContact CB-CD2 4.16Å; E595-F606 HydrophobicContact CB-CE1 3.58Å; E595-F606 HydrophobicContact CB-CE2 3.63Å; E595-F606 HydrophobicContact CB-CG 4.39Å; E595-F606 HydrophobicContact CB-CZ 3.32Å; E595-F606 VanDerWaalsContact CD-CE2 3.48Å; E595-F606 HydrophobicContact CG-CE2 4.11Å; E595-F606 HydrophobicContact CG-CZ 4.05Å; E595-F606 PolarHBondContact N-O 3.41Å; E595-F606 WeakPolarHBondContact O-CD1 3.39Å; E595-F606 PolarHBondContact O-N 2.89Å; E595-F606 VanDerWaalsContact OE2-CZ 3.25Å; E595-F606 WeakPolarHBondContact OE2-CZ 3.43Å; E596-F606 WeakPolarHBondContact O-CE1 3.39Å; T597-F606 HydrophobicContact CG2-CD1 3.98Å; F606-R608 HydrophobicContact CD2-CG 4.18Å; F606-R608 HydrophobicContact CE2-CG 3.83Å; F606-R608 VanDerWaalsContact CZ-NH2 3.33Å; F606-I613 HydrophobicContact CB-CG2 3.65Å; F606-I613 HydrophobicContact CD2-CG2 3.49Å; F606-I613 VanDerWaalsContact CD2-CG2 3.49Å; F606-I613 HydrophobicContact CE2-CG2 4.34Å; F606-I613 HydrophobicContact CG-CG2 3.73Å; F606-Y614 CarbonylContact C-O 3.53Å; F606-Y614 WeakPolarHBondContact CA-O 3.22Å; F606-Y614 WeakPolarHBondContact CB-O 3.44Å; F606-K615 HydrophobicContact CB-CB 4.37Å; F606-K615 HydrophobicContact CB-CG 4.01Å
607	I	98.7	Very high	96.9	Very high	2 Å²	2	63 Å²	63	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	150.1	165.2	64.6	170.2	0	0	0	109.6	F467 N589 V592 F594 Y614	F467-I607 HydrophobicContact CD2-CD1 3.68Å; F467-I607 HydrophobicContact CD2-CG1 3.75Å; F467-I607 HydrophobicContact CE2-CD1 4.42Å; F467-I607 HydrophobicContact CE2-CG1 4.02Å; N589-I607 WeakPolarHBondContact ND2-CD1 3.31Å; V592-I607 HydrophobicContact CB-CB 4.49Å; V592-I607 HydrophobicContact CB-CG2 4.49Å; V592-I607 HydrophobicContact CG1-CB 3.99Å; V592-I607 HydrophobicContact CG1-CG2 4.25Å; F594-I607 HydrophobicContact CD1-CG2 3.66Å; F594-I607 HydrophobicContact CE1-CG2 3.85Å; F594-I607 HydrophobicContact CG-CG2 4.09Å; F594-I607 HydrophobicContact CZ-CG2 4.43Å; I607-Y614 PolarHBondContact N-O 3.12Å; I607-Y614 PolarHBondContact O-N 2.98Å; I607-Y614 VanDerWaalsContact O-N 3.08Å
608	R	97.9	Very high	96.9	Very high	130 Å²	130	61.4 Å²	61.4	49%	0.491	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	124.9	171	-60.2	-175.8	-167.7	-87.8	-4.1	109.4	E595 F606	E595-R608 WeakPolarHBondContact OE1-CD 3.43Å; E595-R608 IonicContact OE1-CZ 3.2Å; E595-R608 IonicContact OE1-NE 2.64Å; E595-R608 PolarHBondContact OE1-NE 2.81Å; E595-R608 IonicContact OE1-NH2 2.79Å; E595-R608 IonicContact OE2-CZ 3.43Å; E595-R608 IonicContact OE2-NE 2.94Å; E595-R608 PolarHBondContact OE2-NE 2.95Å; E595-R608 IonicContact OE2-NH2 2.78Å; E595-R608 PolarHBondContact OE2-NH2 3.09Å; F606-R608 HydrophobicContact CD2-CG 4.18Å; F606-R608 HydrophobicContact CE2-CG 3.83Å; F606-R608 VanDerWaalsContact CZ-NH2 3.33Å
609	H	95.2	Very high	96.9	Very high	79 Å²	79	57.8 Å²	57.8	37%	0.366	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	170.2	170.9	-169.2	-101.4	0	0	0	109.8	V465 D611 G612 Y614	V465-H609 HydrophobicContact CG1-CB 4.17Å; H609-D611 IonicContact CE1-OD1 3.53Å; H609-D611 IonicContact CG-OD1 3.7Å; H609-D611 IonicContact ND1-OD1 2.69Å; H609-D611 PolarHBondContact ND1-OD1 3.16Å; H609-D611 PolarHBondContact O-N 3.33Å; H609-G612 CarbonylContact C-O 3.55Å; H609-G612 PolarHBondContact N-O 3.23Å; H609-G612 PolarHBondContact O-N 2.95Å; H609-G612 VanDerWaalsContact O-O 3.05Å; H609-Y614 HydrophobicContact CB-CD2 4.1Å; H609-Y614 HydrophobicContact CB-CE2 3.94Å
610	R	92.7	Very high	97	Very high	252 Å²	252	54.9 Å²	54.9	95%	0.951	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-28.7	-174.1	-64.2	-177.8	-178.5	-178.5	1.4	113.4
611	D	93.4	Very high	97	Very high	72 Å²	72	49 Å²	49	39%	0.385	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	0.1	-178.4	65.9	-29.8	0	0	0	113.5	H609 Y614	H609-D611 IonicContact CE1-OD1 3.53Å; H609-D611 IonicContact CG-OD1 3.7Å; H609-D611 IonicContact ND1-OD1 2.69Å; H609-D611 PolarHBondContact ND1-OD1 3.16Å; H609-D611 PolarHBondContact O-N 3.33Å; D611-Y614 WeakPolarHBondContact OD1-CE2 3.29Å; D611-Y614 PolarHBondContact OD2-OH 3.26Å
612	G	96.6	Very high	97	Very high	25 Å²	25	45.1 Å²	45.1	26%	0.258	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	143.3	-163.1	173.9	0	0	0	0	0	114.1	H609	H609-G612 CarbonylContact C-O 3.55Å; H609-G612 PolarHBondContact N-O 3.23Å; H609-G612 PolarHBondContact O-N 2.95Å; H609-G612 VanDerWaalsContact O-O 3.05Å
613	I	98.3	Very high	96.7	Very high	58 Å²	58	45.8 Å²	45.8	30%	0.297	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.2	-178.5	-59	179	0	0	0	108.8	F606 K615	F606-I613 HydrophobicContact CB-CG2 3.65Å; F606-I613 HydrophobicContact CD2-CG2 3.49Å; F606-I613 VanDerWaalsContact CD2-CG2 3.49Å; F606-I613 HydrophobicContact CE2-CG2 4.34Å; F606-I613 HydrophobicContact CG-CG2 3.73Å; I613-K615 HydrophobicContact CG2-CD 4.47Å; I613-K615 HydrophobicContact CG2-CG 3.72Å
614	Y	98.8	Very high	96.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	121.7	172.6	-68.6	-93.6	0	0	0	108.6	P462 N463 V465 F467 F606 I607 H609 D611 I665 P667	P462-Y614 HydrophobicContact CB-CE1 4.38Å; P462-Y614 HydrophobicContact CG-CD1 3.63Å; P462-Y614 HydrophobicContact CG-CE1 3.42Å; P462-Y614 VanDerWaalsContact CG-CE1 3.42Å; N463-Y614 PolarHBondContact ND2-OH 2.98Å; V465-Y614 HydrophobicContact CB-CE1 4.4Å; V465-Y614 HydrophobicContact CB-CE2 4.09Å; V465-Y614 HydrophobicContact CG1-CD2 4.33Å; V465-Y614 HydrophobicContact CG1-CE2 3.71Å; V465-Y614 HydrophobicContact CG2-CE2 4.4Å; V465-Y614 WeakPolarHBondContact CG2-OH 3.24Å; F467-Y614 HydrophobicContact CB-CD1 4.43Å; F467-Y614 HydrophobicContact CG-CD1 4.48Å; F467-Y614 HydrophobicContact CG-CG 4.45Å; F606-Y614 CarbonylContact C-O 3.53Å; F606-Y614 WeakPolarHBondContact CA-O 3.22Å; F606-Y614 WeakPolarHBondContact CB-O 3.44Å; I607-Y614 PolarHBondContact N-O 3.12Å; I607-Y614 PolarHBondContact O-N 2.98Å; I607-Y614 VanDerWaalsContact O-N 3.08Å; H609-Y614 HydrophobicContact CB-CD2 4.1Å; H609-Y614 HydrophobicContact CB-CE2 3.94Å; D611-Y614 WeakPolarHBondContact OD1-CE2 3.29Å; D611-Y614 PolarHBondContact OD2-OH 3.26Å; Y614-I665 WeakPolarHBondContact CA-O 3.11Å; Y614-P667 HydrophobicContact CE1-CG 4.15Å; Y614-P667 HydrophobicContact CE2-CG 4.16Å
615	K	98.7	Very high	96.4	Very high	76 Å²	76	49.1 Å²	49.1	33%	0.33	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	150.7	-168.7	-54.9	175.2	-173.7	172	0	110.9	F467 A605 F606 I613 Y617 F664 I665	F467-K615 WeakPolarHBondContact CE1-O 3.28Å; F467-K615 VanDerWaalsContact CZ-C 3.48Å; F467-K615 WeakPolarHBondContact CZ-O 3.15Å; A605-K615 CarbonylContact O-C 3.56Å; F606-K615 HydrophobicContact CB-CB 4.37Å; F606-K615 HydrophobicContact CB-CG 4.01Å; I613-K615 HydrophobicContact CG2-CD 4.47Å; I613-K615 HydrophobicContact CG2-CG 3.72Å; K615-Y617 HydrophobicContact CB-CE2 3.94Å; K615-Y617 HydrophobicContact CD-CE2 4.13Å; K615-F664 WeakPolarHBondContact O-CA 3.44Å; K615-I665 HydrophobicContact CB-CB 4.43Å; K615-I665 PolarHBondContact N-O 3.46Å; K615-I665 PolarHBondContact O-N 3.2Å
616	M	98.8	Very high	96.2	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	142	165.3	62.7	-179.6	-70.1	0	0	110.5	F467 I468 F587 F594 G604 A605 W618 V647 Y662 L663 F664	F467-M616 HydrophobicContact CE1-CB 4.42Å; F467-M616 HydrophobicContact CZ-CB 4.01Å; F467-M616 HydrophobicContact CZ-CG 4.26Å; I468-M616 HydrophobicContact CD1-SD 4.33Å; F587-M616 HydrophobicContact CB-CE 4.27Å; F587-M616 HydrophobicContact CB-SD 4.3Å; F587-M616 HydrophobicContact CD1-CE 4.23Å; F587-M616 HydrophobicContact CD2-CE 3.59Å; F587-M616 HydrophobicContact CE1-CE 4.5Å; F587-M616 HydrophobicContact CE2-CE 3.9Å; F587-M616 HydrophobicContact CG-CE 3.76Å; F587-M616 HydrophobicContact CG-SD 4.42Å; F587-M616 HydrophobicContact CZ-CE 4.34Å; F594-M616 HydrophobicContact CE1-SD 4.34Å; G604-M616 CarbonylContact C-O 3.55Å; G604-M616 WeakPolarHBondContact CA-O 3.49Å; A605-M616 HydrophobicContact CB-CG 4.06Å; A605-M616 HydrophobicContact CB-SD 4.49Å; A605-M616 PolarHBondContact N-O 3.12Å; A605-M616 WeakPolarHBondContact O-CG 3.41Å; A605-M616 PolarHBondContact O-N 3.08Å; M616-W618 HydrophobicContact CE-CE3 3.94Å; M616-W618 HydrophobicContact CE-CZ3 4.1Å; M616-W618 HydrophobicContact CG-CZ3 4.21Å; M616-V647 HydrophobicContact SD-CG2 4.47Å; M616-Y662 HydrophobicContact CE-CD1 4.46Å; M616-L663 CarbonylContact C-O 3.6Å; M616-L663 WeakPolarHBondContact CA-O 3.4Å; M616-F664 HydrophobicContact CB-CD1 3.68Å; M616-F664 HydrophobicContact CB-CE1 3.91Å; M616-F664 HydrophobicContact CB-CG 4.41Å; M616-F664 HydrophobicContact CE-CE1 3.67Å; M616-F664 HydrophobicContact CE-CZ 4.05Å; M616-F664 HydrophobicContact SD-CD1 4.38Å; M616-F664 HydrophobicContact SD-CE1 3.83Å
617	Y	98.8	Very high	96.1	Very high	27 Å²	27	57.3 Å²	57.3	11%	0.106	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	152.8	175.5	-66.8	-83	0	0	0	109.7	T597 V599 V602 H603 K615 Y662 L663 I665	T597-Y617 HydrophobicContact CG2-CE1 3.72Å; V599-Y617 HydrophobicContact CB-CE1 4.26Å; V599-Y617 HydrophobicContact CG2-CE1 3.96Å; V599-Y617 WeakPolarHBondContact CG2-OH 3Å; V602-Y617 HydrophobicContact CG1-CD1 4.28Å; H603-Y617 WeakPolarHBondContact O-CA 3.34Å; K615-Y617 HydrophobicContact CB-CE2 3.94Å; K615-Y617 HydrophobicContact CD-CE2 4.13Å; Y617-Y662 CarbonylContact O-C 3.49Å; Y617-Y662 WeakPolarHBondContact O-CA 3.14Å; Y617-L663 PolarHBondContact N-O 2.86Å; Y617-L663 PolarHBondContact O-N 2.84Å; Y617-I665 HydrophobicContact CD2-CD1 3.72Å; Y617-I665 HydrophobicContact CE2-CD1 3.93Å
618	W	98.6	Very high	96	Very high	4 Å²	4	57.7 Å²	57.7	2%	0.015	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.9	-179.9	59.6	81.9	0	0	0	113.1	V602 H603 G604 A605 M616 S625 E626 A628 V647 V649 I661 Y662	V602-W618 WeakPolarHBondContact CG1-O 3.17Å; H603-W618 HydrophobicContact CB-CZ2 3.72Å; H603-W618 PolarHBondContact O-N 2.99Å; H603-W618 VanDerWaalsContact O-N 3.13Å; G604-W618 VanDerWaalsContact C-CZ3 3.42Å; G604-W618 VanDerWaalsContact CA-CH2 3.47Å; A605-W618 HydrophobicContact CB-CH2 4.24Å; A605-W618 HydrophobicContact CB-CZ3 4.07Å; M616-W618 HydrophobicContact CE-CE3 3.94Å; M616-W618 HydrophobicContact CE-CZ3 4.1Å; M616-W618 HydrophobicContact CG-CZ3 4.21Å; W618-S625 VanDerWaalsContact O-CB 3.23Å; W618-S625 WeakPolarHBondContact O-CB 3.4Å; W618-S625 PolarHBondContact O-OG 3.31Å; W618-E626 PolarHBondContact NE1-O 3.43Å; W618-A628 HydrophobicContact CH2-CB 3.49Å; W618-A628 VanDerWaalsContact CH2-CB 3.49Å; W618-A628 HydrophobicContact CZ2-CB 3.33Å; W618-V647 HydrophobicContact CH2-CG1 4.06Å; W618-V647 HydrophobicContact CZ3-CG1 4.18Å; W618-V649 HydrophobicContact CD2-CG1 4.12Å; W618-V649 HydrophobicContact CD2-CG2 3.81Å; W618-V649 HydrophobicContact CE3-CG2 3.99Å; W618-V649 HydrophobicContact CG-CG1 3.9Å; W618-V649 HydrophobicContact CG-CG2 4.33Å; W618-V649 HydrophobicContact CH2-CG2 4.32Å; W618-V649 HydrophobicContact CZ2-CG2 4.17Å; W618-V649 HydrophobicContact CZ3-CG2 4.21Å; W618-I661 CarbonylContact C-O 3.51Å; W618-I661 WeakPolarHBondContact CA-O 3.48Å; W618-I661 WeakPolarHBondContact CB-O 3.49Å; W618-Y662 HydrophobicContact CB-CD1 3.45Å; W618-Y662 VanDerWaalsContact CB-CD1 3.45Å; W618-Y662 HydrophobicContact CB-CE1 3.85Å; W618-Y662 HydrophobicContact CB-CG 4.19Å; W618-Y662 HydrophobicContact CG-CD1 4.24Å; W618-Y662 HydrophobicContact CG-CE1 4.33Å
619	M	97.8	Very high	96	Very high	8 Å²	8	55.6 Å²	55.6	4%	0.039	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.2	159.2	170.3	59.8	-173.1	67	0	0	109	V602 H624 I661 F674 V676	V602-M619 HydrophobicContact CB-CE 4.17Å; V602-M619 HydrophobicContact CG1-CE 3.54Å; V602-M619 HydrophobicContact CG2-CE 3.45Å; V602-M619 VanDerWaalsContact CG2-CE 3.45Å; M619-H624 CarbonylContact C-O 3.53Å; M619-H624 VanDerWaalsContact CA-O 3.32Å; M619-H624 WeakPolarHBondContact CA-O 3.45Å; M619-I661 PolarHBondContact N-O 3.05Å; M619-I661 WeakPolarHBondContact O-CD1 3.4Å; M619-I661 PolarHBondContact O-N 3.31Å; M619-F674 HydrophobicContact CE-CD1 3.61Å; M619-F674 HydrophobicContact CE-CE1 3.65Å; M619-F674 HydrophobicContact CE-CG 4.15Å; M619-F674 HydrophobicContact CE-CZ 4.22Å; M619-F674 HydrophobicContact CG-CE1 4.25Å; M619-F674 HydrophobicContact CG-CZ 4.14Å; M619-F674 HydrophobicContact SD-CE1 4.33Å; M619-F674 HydrophobicContact SD-CZ 4.32Å; M619-V676 HydrophobicContact CG-CG1 4.09Å; M619-V676 HydrophobicContact CG-CG2 4.08Å; M619-V676 HydrophobicContact SD-CB 4.27Å; M619-V676 HydrophobicContact SD-CG1 3.75Å; M619-V676 HydrophobicContact SD-CG2 3.59Å; M619-V676 VanDerWaalsContact SD-CG2 3.59Å
620	D	95.6	Very high	96.1	Very high	9 Å²	9	54 Å²	54	5%	0.048	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	173.7	167	74	21.3	0	0	0	111.8	T622 G623 H624 T651 R654 R659 V676	D620-T622 PolarHBondContact O-N 3.3Å; D620-T622 VanDerWaalsContact O-N 3.07Å; D620-T622 WeakPolarHBondContact OD1-CA 3.32Å; D620-T622 WeakPolarHBondContact OD1-CB 3.39Å; D620-T622 PolarHBondContact OD1-N 3.05Å; D620-T622 PolarHBondContact OD1-OG1 3.01Å; D620-T622 PolarHBondContact OD2-OG1 2.83Å; D620-G623 PolarHBondContact O-N 2.99Å; D620-G623 PolarHBondContact OD1-N 2.83Å; D620-H624 PolarHBondContact N-O 2.9Å; D620-H624 PolarHBondContact OD1-N 3.2Å; D620-T651 HydrophobicContact CB-CG2 4.45Å; D620-R654 VanDerWaalsContact CG-NH2 3.28Å; D620-R654 IonicContact OD1-NH2 3.23Å; D620-R654 IonicContact OD2-CZ 3.27Å; D620-R654 IonicContact OD2-NH1 2.7Å; D620-R654 PolarHBondContact OD2-NH1 3.36Å; D620-R654 IonicContact OD2-NH2 2.79Å; D620-R654 PolarHBondContact OD2-NH2 3.27Å; D620-R659 WeakPolarHBondContact CA-O 3.11Å; D620-V676 WeakPolarHBondContact O-CG2 3.22Å
621	D	92.3	Very high	96.3	Very high	18 Å²	18	43 Å²	43	10%	0.096	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-1.3	-178.9	68.4	0.7	0	0	0	116.1	R654 R659 I661 L683	D621-R654 IonicContact OD1-CZ 3.74Å; D621-R654 IonicContact OD1-NE 3.85Å; D621-R654 IonicContact OD1-NH2 2.89Å; D621-R654 PolarHBondContact OD1-NH2 2.7Å; D621-R659 HydrophobicContact CB-CB 4.02Å; D621-R659 PolarHBondContact N-O 2.69Å; D621-R659 IonicContact OD2-CZ 3.5Å; D621-R659 IonicContact OD2-NE 3.59Å; D621-R659 PolarHBondContact OD2-NE 3.11Å; D621-R659 IonicContact OD2-NH2 3.45Å; D621-R659 PolarHBondContact OD2-NH2 3.04Å; D621-I661 HydrophobicContact CB-CD1 4.18Å; D621-L683 HydrophobicContact CB-CD1 3.71Å
622	T	92.5	Very high	96.5	Very high	91 Å²	91	43.4 Å²	43.4	56%	0.558	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95	-5.2	169.6	71.2	0	0	0	0	112.5	D620 H624	D620-T622 PolarHBondContact O-N 3.3Å; D620-T622 VanDerWaalsContact O-N 3.07Å; D620-T622 WeakPolarHBondContact OD1-CA 3.32Å; D620-T622 WeakPolarHBondContact OD1-CB 3.39Å; D620-T622 PolarHBondContact OD1-N 3.05Å; D620-T622 PolarHBondContact OD1-OG1 3.01Å; D620-T622 PolarHBondContact OD2-OG1 2.83Å; T622-H624 VanDerWaalsContact C-N 3.32Å
623	G	92.1	Very high	96.4	Very high	40 Å²	40	48.8 Å²	48.8	41%	0.412	26%	0.259	S	S	.	.	S	Bend	trans	85.2	2.8	-173.6	0	0	0	0	0	113.5	D620	D620-G623 PolarHBondContact O-N 2.99Å; D620-G623 PolarHBondContact OD1-N 2.83Å
624	H	94.3	Very high	96.2	Very high	111 Å²	111	52.7 Å²	52.7	51%	0.514	28%	0.278	S	S	.	.			trans	-76.3	132.6	176.5	-176.4	67.7	0	0	0	110.3	M619 D620 T622	M619-H624 CarbonylContact C-O 3.53Å; M619-H624 VanDerWaalsContact CA-O 3.32Å; M619-H624 WeakPolarHBondContact CA-O 3.45Å; D620-H624 PolarHBondContact N-O 2.9Å; D620-H624 PolarHBondContact OD1-N 3.2Å; T622-H624 VanDerWaalsContact C-N 3.32Å
625	S	96.4	Very high	96	Very high	10 Å²	10	53.6 Å²	53.6	7%	0.07	28%	0.281	C	S	.	.			trans	-125.5	110	-179.9	-176.3	0	0	0	0	109.7	H603 W618	H603-S625 WeakPolarHBondContact CB-OG 3.37Å; H603-S625 PolarHBondContact CE1-O 3.25Å; H603-S625 PolarHBondContact N-OG 2.8Å; H603-S625 PolarHBondContact ND1-O 3.17Å; W618-S625 VanDerWaalsContact O-CB 3.23Å; W618-S625 WeakPolarHBondContact O-CB 3.4Å; W618-S625 PolarHBondContact O-OG 3.31Å
626	E	94.6	Very high	95.5	Very high	78 Å²	78	52.5 Å²	52.5	36%	0.364	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-86.7	144.2	179.7	-165.6	168.3	175.1	0	0	111.2	W618 A628	W618-E626 PolarHBondContact NE1-O 3.43Å; E626-A628 PolarHBondContact O-N 2.92Å
627	K	97.1	Very high	94.7	Very high	114 Å²	114	59.9 Å²	59.9	50%	0.496	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-66	129.8	176.8	-173.5	179.6	177.3	177.6	0	110.6	E596	E596-K627 VanDerWaalsContact CD-NZ 3.32Å; E596-K627 WeakPolarHBondContact OE1-CE 3.49Å; E596-K627 IonicContact OE1-NZ 2.81Å; E596-K627 PolarHBondContact OE1-NZ 2.83Å; E596-K627 WeakPolarHBondContact OE2-CE 3.34Å; E596-K627 IonicContact OE2-NZ 3.74Å; E596-K627 PolarHBondContact OE2-NZ 3.25Å
628	A	96.7	Very high	93.7	Very high	9 Å²	9	59.5 Å²	59.5	7%	0.074	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-77.5	160	176.4	0	0	0	0	0	113.1	W618 E626 V647 N648 V649	W618-A628 HydrophobicContact CH2-CB 3.49Å; W618-A628 VanDerWaalsContact CH2-CB 3.49Å; W618-A628 HydrophobicContact CZ2-CB 3.33Å; E626-A628 PolarHBondContact O-N 2.92Å; A628-V647 HydrophobicContact CB-CG1 3.43Å; A628-V647 VanDerWaalsContact CB-CG1 3.43Å; A628-N648 CarbonylContact C-O 3.53Å; A628-N648 VanDerWaalsContact CA-O 3.25Å; A628-N648 WeakPolarHBondContact CA-O 3.27Å; A628-N648 WeakPolarHBondContact CB-O 3.45Å; A628-V649 HydrophobicContact CB-CG2 4.07Å
629	T	97.5	Very high	93	Very high	87 Å²	87	60 Å²	60	53%	0.534	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	127.3	163.3	-60	0	0	0	0	109.5	N648	T629-N648 PolarHBondContact N-O 3.23Å; T629-N648 PolarHBondContact O-N 3.2Å
630	I	97.7	Very high	92.3	Very high	45 Å²	45	63.3 Å²	63.3	23%	0.231	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	134.2	172.8	-59.1	-176	0	0	0	109.4	F594 E596 A605 Y646 V647	F594-I630 HydrophobicContact CB-CD1 3.92Å; F594-I630 HydrophobicContact CB-CG1 4.5Å; F594-I630 HydrophobicContact CB-CG2 3.97Å; F594-I630 WeakPolarHBondContact O-CG2 3.23Å; E596-I630 HydrophobicContact CB-CD1 4.32Å; E596-I630 HydrophobicContact CG-CD1 3.47Å; E596-I630 VanDerWaalsContact CG-CD1 3.47Å; E596-I630 HydrophobicContact CG-CG1 4.19Å; A605-I630 HydrophobicContact CB-CD1 4.32Å; I630-Y646 WeakPolarHBondContact CA-O 3.38Å; I630-V647 HydrophobicContact CG1-CG2 4.39Å
631	A	96.8	Very high	92	Very high	21 Å²	21	65.5 Å²	65.5	17%	0.174	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	148.5	-179.9	0	0	0	0	0	112.9	N645 Y646	A631-N645 CarbonylContact O-C 3.47Å; A631-N645 WeakPolarHBondContact O-CA 3.33Å; A631-Y646 HydrophobicContact CB-CD2 4.46Å; A631-Y646 HydrophobicContact CB-CE1 4.08Å; A631-Y646 HydrophobicContact CB-CE2 3.85Å; A631-Y646 PolarHBondContact N-O 2.93Å; A631-Y646 PolarHBondContact O-N 3.28Å
632	S	96.6	Very high	91.7	Very high	80 Å²	80	70.8 Å²	70.8	56%	0.559	38%	0.375	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.9	126.3	164.9	-60	0	0	0	0	108.3	N645	S632-N645 VanDerWaalsContact CB-OD1 3.28Å; S632-N645 WeakPolarHBondContact CB-OD1 3.43Å; S632-N645 PolarHBondContact OG-OD1 2.77Å
633	R	95	Very high	91.8	Very high	139 Å²	139	67 Å²	67	53%	0.525	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	125.3	179.4	-71.2	-64.6	-170	-178.1	0.6	109.7	F480 G643 T644 Y646	F480-R633 HydrophobicContact CE1-CB 3.96Å; F480-R633 HydrophobicContact CE1-CG 4.38Å; F480-R633 HydrophobicContact CZ-CB 4.38Å; R633-G643 CarbonylContact O-C 3.56Å; R633-G643 WeakPolarHBondContact O-CA 3.31Å; R633-T644 PolarHBondContact N-O 2.87Å; R633-T644 PolarHBondContact O-N 3.3Å; R633-Y646 HydrophobicContact CB-CE1 4.27Å; R633-Y646 HydrophobicContact CG-CE1 3.54Å
634	M	94.6	Very high	92.1	Very high	139 Å²	139	65.2 Å²	65.2	69%	0.685	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.4	143.7	167.9	-64.6	-65.7	-66.2	0	0	109.7	N642	M634-N642 CarbonylContact C-O 3.6Å; M634-N642 WeakPolarHBondContact CA-O 3.49Å; M634-N642 HydrophobicContact CE-CB 3.78Å; M634-N642 WeakPolarHBondContact CE-O 3.3Å; M634-N642 HydrophobicContact SD-CB 4.17Å
635	Y	93.1	Very high	92.3	Very high	19 Å²	19	60.8 Å²	60.8	8%	0.075	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-73.4	154	170.7	-70.7	-32.1	0	0	0	111.6	A471 Y473 P475 F480 N642	A471-Y635 VanDerWaalsContact CB-OH 3.24Å; A471-Y635 WeakPolarHBondContact CB-OH 3.32Å; A471-Y635 WeakPolarHBondContact O-CE2 3.36Å; A471-Y635 PolarHBondContact O-OH 3.25Å; Y473-Y635 WeakPolarHBondContact O-CD2 3.37Å; Y473-Y635 VanDerWaalsContact O-CE2 3.23Å; Y473-Y635 WeakPolarHBondContact O-CE2 3.29Å; P475-Y635 HydrophobicContact CG-CD1 4.22Å; F480-Y635 HydrophobicContact CD1-CE1 4.2Å; F480-Y635 AromaticContact CD2-CE1 3.83Å; F480-Y635 HydrophobicContact CD2-CE1 3.83Å; F480-Y635 HydrophobicContact CE1-CE1 4.01Å; F480-Y635 AromaticContact CE2-CD1 3.96Å; F480-Y635 HydrophobicContact CE2-CD1 3.96Å; F480-Y635 AromaticContact CE2-CE1 3.63Å; F480-Y635 HydrophobicContact CE2-CE1 3.63Å; F480-Y635 HydrophobicContact CG-CE1 4.13Å; F480-Y635 AromaticContact CZ-CD1 3.98Å; F480-Y635 HydrophobicContact CZ-CD1 3.98Å; F480-Y635 AromaticContact CZ-CE1 3.73Å; F480-Y635 HydrophobicContact CZ-CE1 3.73Å; Y635-N642 PolarHBondContact N-O 2.9Å
636	P	88.8	Confident	92.4	Very high	53 Å²	53	61.1 Å²	61.1	34%	0.344	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-53.4	158.9	169.9	-23.9	34.4	0	0	0	111.1	P475 Y639	P475-P636 VanDerWaalsContact CG-CD 3.5Å; P475-P636 HydrophobicContact CG-CG 3.89Å; P636-Y639 HydrophobicContact CB-CD2 4.18Å; P636-Y639 HydrophobicContact CB-CE2 4.22Å; P636-Y639 HydrophobicContact CG-CD2 4.4Å; P636-Y639 HydrophobicContact CG-CE2 4.21Å; P636-Y639 WeakPolarHBondContact O-CD2 3.29Å
637	R	82.9	Confident	92.6	Very high	155 Å²	155	57.4 Å²	57.4	59%	0.585	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	150.1	163.9	-166.9	169	177.3	-138.9	4	108.5	L862 D863	R637-L862 CarbonylContact C-O 3.5Å; R637-L862 CarbonylContact O-C 3.04Å; R637-D863 WeakPolarHBondContact CD-OD1 3.43Å; R637-D863 IonicContact CZ-OD1 3.73Å; R637-D863 IonicContact NE-OD1 2.92Å; R637-D863 PolarHBondContact NE-OD1 3.18Å; R637-D863 VanDerWaalsContact NH1-CG 3.29Å; R637-D863 IonicContact NH1-OD1 3.88Å; R637-D863 PolarHBondContact NH1-OD1 2.81Å; R637-D863 IonicContact NH1-OD2 2.85Å; R637-D863 PolarHBondContact NH1-OD2 3.27Å
638	G	77.2	Confident	92.6	Very high	20 Å²	20	53 Å²	53	21%	0.206	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	98	-11.2	-175.4	0	0	0	0	0	116	L862 F864	G638-L862 PolarHBondContact N-O 2.98Å; G638-F864 CarbonylContact C-O 3.14Å; G638-F864 VanDerWaalsContact CA-C 3.45Å; G638-F864 WeakPolarHBondContact CA-O 3.42Å
639	Y	83.9	Confident	92.7	Very high	15 Å²	15	52.7 Å²	52.7	6%	0.059	28%	0.276	C	S	.	.			trans	-103.7	142	174	-67.1	-87.2	0	0	0	110.7	Y473 G474 P475 P636 Y641 L862	Y473-Y639 AromaticContact CD1-CD1 3.52Å; Y473-Y639 HydrophobicContact CD1-CD1 3.52Å; Y473-Y639 AromaticContact CD1-CE1 3.67Å; Y473-Y639 HydrophobicContact CD1-CE1 3.67Å; Y473-Y639 AromaticContact CE1-CD1 3.85Å; Y473-Y639 HydrophobicContact CE1-CD1 3.85Å; Y473-Y639 AromaticContact CE1-CE1 3.67Å; Y473-Y639 HydrophobicContact CE1-CE1 3.67Å; G474-Y639 WeakPolarHBondContact O-CE1 3.4Å; P475-Y639 HydrophobicContact CG-CD2 4.5Å; P475-Y639 HydrophobicContact CG-CE2 3.88Å; P636-Y639 HydrophobicContact CB-CD2 4.18Å; P636-Y639 HydrophobicContact CB-CE2 4.22Å; P636-Y639 HydrophobicContact CG-CD2 4.4Å; P636-Y639 HydrophobicContact CG-CE2 4.21Å; P636-Y639 WeakPolarHBondContact O-CD2 3.29Å; Y639-Y641 VanDerWaalsContact C-N 3.27Å; Y639-Y641 PolarHBondContact O-N 3.16Å; Y639-L862 HydrophobicContact CE2-CD2 4.11Å
640	P	82.5	Confident	92.7	Very high	76 Å²	76	50.2 Å²	50.2	49%	0.494	26%	0.261	S	S	.	.	S	Bend	trans	-77.9	-8.3	-173.7	30.1	-34.8	0	0	0	114.1
641	Y	89.3	Confident	92.7	Very high	55 Å²	55	48.7 Å²	48.7	22%	0.216	25%	0.254	C	S	.	.	S	Bend	trans	-120.5	151.1	-177.5	-65.5	-66.1	0	0	0	111.8	N315 Y316 L472 Y639 G643	N315-Y641 HydrophobicContact CB-CE2 3.94Å; N315-Y641 WeakPolarHBondContact CB-OH 3.44Å; Y316-Y641 AromaticContact CD2-CE1 3.9Å; Y316-Y641 HydrophobicContact CD2-CE1 3.9Å; Y316-Y641 AromaticContact CE2-CD1 3.82Å; Y316-Y641 HydrophobicContact CE2-CD1 3.82Å; Y316-Y641 AromaticContact CE2-CE1 3.54Å; Y316-Y641 HydrophobicContact CE2-CE1 3.54Å; L472-Y641 HydrophobicContact CB-CD2 4.09Å; L472-Y641 HydrophobicContact CD1-CD1 4.11Å; L472-Y641 HydrophobicContact CD1-CD2 4.07Å; L472-Y641 HydrophobicContact CD1-CE1 4.49Å; L472-Y641 HydrophobicContact CD1-CE2 4.45Å; L472-Y641 HydrophobicContact CD1-CG 3.92Å; Y639-Y641 VanDerWaalsContact C-N 3.27Å; Y639-Y641 PolarHBondContact O-N 3.16Å; Y641-G643 VanDerWaalsContact C-N 3.34Å; Y641-G643 PolarHBondContact O-N 3.48Å
642	N	86.6	Confident	92.7	Very high	130 Å²	130	53.3 Å²	53.3	70%	0.695	28%	0.275	S	S	*	.			trans	-62.1	-39	-172	-70.8	-9.1	0	0	0	112.8	M634 Y635	M634-N642 CarbonylContact C-O 3.6Å; M634-N642 WeakPolarHBondContact CA-O 3.49Å; M634-N642 HydrophobicContact CE-CB 3.78Å; M634-N642 WeakPolarHBondContact CE-O 3.3Å; M634-N642 HydrophobicContact SD-CB 4.17Å; Y635-N642 PolarHBondContact N-O 2.9Å
643	G	93.9	Very high	92.7	Very high	10 Å²	10	50.6 Å²	50.6	10%	0.103	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	145	-154.4	-173.8	0	0	0	0	0	111.8	V590 R633 Y641	V590-G643 WeakPolarHBondContact CG2-O 3.5Å; R633-G643 CarbonylContact O-C 3.56Å; R633-G643 WeakPolarHBondContact O-CA 3.31Å; Y641-G643 VanDerWaalsContact C-N 3.34Å; Y641-G643 PolarHBondContact O-N 3.48Å
644	T	98.3	Very high	92.6	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.018	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	160.2	-176.4	-171.4	0	0	0	0	112.1	A471 F480 H588 R633 Y646	A471-T644 HydrophobicContact CB-CG2 3.97Å; F480-T644 HydrophobicContact CD1-CG2 3.81Å; F480-T644 HydrophobicContact CE1-CG2 4.08Å; H588-T644 WeakPolarHBondContact ND1-CG2 3.31Å; H588-T644 PolarHBondContact ND1-OG1 2.84Å; H588-T644 VanDerWaalsContact ND1-OG1 3.1Å; R633-T644 PolarHBondContact N-O 2.87Å; R633-T644 PolarHBondContact O-N 3.3Å; T644-Y646 HydrophobicContact CG2-CD1 4.49Å
645	N	98.6	Very high	92.3	Very high	19 Å²	19	45.9 Å²	45.9	10%	0.102	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	141.4	172.4	-44.4	-82.7	0	0	0	108.9	H588 N589 P593 A631 S632	H588-N645 CarbonylContact C-O 3.42Å; H588-N645 VanDerWaalsContact CA-O 3.28Å; H588-N645 WeakPolarHBondContact CA-O 3.44Å; N589-N645 PolarHBondContact N-O 2.68Å; N589-N645 WeakPolarHBondContact O-CB 3.46Å; N589-N645 PolarHBondContact O-N 3.27Å; N589-N645 PolarHBondContact O-ND2 2.76Å; P593-N645 HydrophobicContact CB-CB 4.25Å; A631-N645 CarbonylContact O-C 3.47Å; A631-N645 WeakPolarHBondContact O-CA 3.33Å; S632-N645 VanDerWaalsContact CB-OD1 3.28Å; S632-N645 WeakPolarHBondContact CB-OD1 3.43Å; S632-N645 PolarHBondContact OG-OD1 2.77Å
646	Y	98.7	Very high	92.2	Very high	16 Å²	16	47.4 Å²	47.4	6%	0.063	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.7	-179.7	62	-94.3	0	0	0	114.5	F479 F586 F587 H588 I630 A631 R633 T644 N648	F479-Y646 HydrophobicContact CD2-CE1 4.42Å; F586-Y646 AromaticContact CD1-CD2 3.76Å; F586-Y646 HydrophobicContact CD1-CD2 3.76Å; F586-Y646 AromaticContact CD1-CE2 3.96Å; F586-Y646 HydrophobicContact CD1-CE2 3.96Å; F586-Y646 HydrophobicContact CD1-CG 4.49Å; F586-Y646 HydrophobicContact CE1-CD2 4.23Å; F586-Y646 AromaticContact CE1-CE2 3.96Å; F586-Y646 HydrophobicContact CE1-CE2 3.96Å; F587-Y646 CarbonylContact O-C 3.44Å; F587-Y646 WeakPolarHBondContact O-CA 3.25Å; F587-Y646 WeakPolarHBondContact O-CB 3.45Å; H588-Y646 VanDerWaalsContact CE1-CB 3.49Å; H588-Y646 WeakPolarHBondContact CE1-CB 3.48Å; H588-Y646 AromaticContact CE1-CD1 3.66Å; H588-Y646 AromaticContact CE1-CG 3.8Å; I630-Y646 WeakPolarHBondContact CA-O 3.38Å; A631-Y646 HydrophobicContact CB-CD2 4.46Å; A631-Y646 HydrophobicContact CB-CE1 4.08Å; A631-Y646 HydrophobicContact CB-CE2 3.85Å; A631-Y646 PolarHBondContact N-O 2.93Å; A631-Y646 PolarHBondContact O-N 3.28Å; R633-Y646 HydrophobicContact CB-CE1 4.27Å; R633-Y646 HydrophobicContact CG-CE1 3.54Å; T644-Y646 HydrophobicContact CG2-CD1 4.49Å; Y646-N648 HydrophobicContact CD2-CB 4.34Å; Y646-N648 HydrophobicContact CE2-CB 4.29Å
647	V	98.7	Very high	92.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.8	164.3	-172.6	0	0	0	0	107.8	F586 F587 F594 A605 M616 W618 A628 I630 V649	F586-V647 CarbonylContact C-O 3.42Å; F586-V647 WeakPolarHBondContact CA-O 3.48Å; F587-V647 HydrophobicContact CB-CB 4.48Å; F587-V647 PolarHBondContact N-O 2.78Å; F587-V647 PolarHBondContact O-N 3.27Å; F594-V647 HydrophobicContact CB-CG2 3.73Å; F594-V647 HydrophobicContact CD1-CG2 3.6Å; F594-V647 HydrophobicContact CD2-CG2 3.62Å; F594-V647 HydrophobicContact CE1-CG2 4.05Å; F594-V647 HydrophobicContact CE2-CG2 4.05Å; F594-V647 HydrophobicContact CG-CG2 3.37Å; F594-V647 HydrophobicContact CZ-CG2 4.26Å; A605-V647 HydrophobicContact CB-CG1 4.36Å; A605-V647 HydrophobicContact CB-CG2 3.67Å; M616-V647 HydrophobicContact SD-CG2 4.47Å; W618-V647 HydrophobicContact CH2-CG1 4.06Å; W618-V647 HydrophobicContact CZ3-CG1 4.18Å; A628-V647 HydrophobicContact CB-CG1 3.43Å; A628-V647 VanDerWaalsContact CB-CG1 3.43Å; I630-V647 HydrophobicContact CG1-CG2 4.39Å; V647-V649 HydrophobicContact CG1-CG2 3.93Å
648	N	97.4	Very high	93.2	Very high	23 Å²	23	39 Å²	39	12%	0.123	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.3	169	166.8	-30.7	0	0	0	108.1	T584 S585 F586 A628 T629 Y646 T650	T584-N648 PolarHBondContact OG1-ND2 2.95Å; T584-N648 VanDerWaalsContact OG1-ND2 3.15Å; T584-N648 PolarHBondContact OG1-OD1 2.93Å; S585-N648 WeakPolarHBondContact O-CA 3.45Å; F586-N648 HydrophobicContact CD1-CB 4Å; F586-N648 HydrophobicContact CE1-CB 3.76Å; F586-N648 WeakPolarHBondContact CE1-ND2 3.34Å; A628-N648 CarbonylContact C-O 3.53Å; A628-N648 VanDerWaalsContact CA-O 3.25Å; A628-N648 WeakPolarHBondContact CA-O 3.27Å; A628-N648 WeakPolarHBondContact CB-O 3.45Å; T629-N648 PolarHBondContact N-O 3.23Å; T629-N648 PolarHBondContact O-N 3.2Å; Y646-N648 HydrophobicContact CD2-CB 4.34Å; Y646-N648 HydrophobicContact CE2-CB 4.29Å; N648-T650 PolarHBondContact OD1-OG1 2.84Å; N648-T650 VanDerWaalsContact OD1-OG1 3.13Å
649	V	98.3	Very high	94.1	Very high	2 Å²	2	38.6 Å²	38.6	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	110.3	175.4	-175.4	0	0	0	0	108.5	T584 S585 F587 W618 A628 V647 Y662	T584-V649 CarbonylContact C-O 3.56Å; T584-V649 VanDerWaalsContact CA-O 3.31Å; T584-V649 WeakPolarHBondContact CA-O 3.33Å; S585-V649 PolarHBondContact N-O 3.2Å; S585-V649 PolarHBondContact O-N 3.01Å; F587-V649 HydrophobicContact CD2-CG2 4.24Å; F587-V649 HydrophobicContact CE2-CB 4.46Å; F587-V649 HydrophobicContact CE2-CG2 3.92Å; W618-V649 HydrophobicContact CD2-CG1 4.12Å; W618-V649 HydrophobicContact CD2-CG2 3.81Å; W618-V649 HydrophobicContact CE3-CG2 3.99Å; W618-V649 HydrophobicContact CG-CG1 3.9Å; W618-V649 HydrophobicContact CG-CG2 4.33Å; W618-V649 HydrophobicContact CH2-CG2 4.32Å; W618-V649 HydrophobicContact CZ2-CG2 4.17Å; W618-V649 HydrophobicContact CZ3-CG2 4.21Å; A628-V649 HydrophobicContact CB-CG2 4.07Å; V647-V649 HydrophobicContact CG1-CG2 3.93Å; V649-Y662 HydrophobicContact CB-CE1 4.1Å; V649-Y662 HydrophobicContact CG1-CE1 4.03Å; V649-Y662 HydrophobicContact CG2-CE1 4.12Å
650	T	97.6	Very high	94.8	Very high	34 Å²	34	38.1 Å²	38.1	21%	0.209	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	145.4	175.2	-64.4	0	0	0	0	110.4	W498 A583 N648	W498-T650 HydrophobicContact CH2-CG2 3.95Å; W498-T650 HydrophobicContact CZ2-CG2 4.35Å; A583-T650 CarbonylContact O-C 3.57Å; A583-T650 WeakPolarHBondContact O-CA 3.42Å; N648-T650 PolarHBondContact OD1-OG1 2.84Å; N648-T650 VanDerWaalsContact OD1-OG1 3.13Å
651	T	97	Very high	95.6	Very high	14 Å²	14	34.5 Å²	34.5	9%	0.086	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	130.3	178.1	-56.5	0	0	0	0	110.1	A582 A583 D620 T658 V660	A582-T651 WeakPolarHBondContact CA-O 3.43Å; A583-T651 PolarHBondContact N-O 2.86Å; A583-T651 PolarHBondContact O-N 3.27Å; D620-T651 HydrophobicContact CB-CG2 4.45Å; T651-T658 HydrophobicContact CG2-CG2 4.23Å; T651-V660 HydrophobicContact CG2-CG2 3.79Å
652	L	97.1	Very high	96	Very high	118 Å²	118	31.9 Å²	31.9	62%	0.618	17%	0.165	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.8	131.8	171.3	-63.5	177.2	0	0	0	110.4	A582	A582-L652 HydrophobicContact CB-CD2 4.44Å
653	L	97.2	Very high	96.6	Very high	22 Å²	22	25.7 Å²	25.7	12%	0.115	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-83.1	123.9	-179.2	-62.7	176.8	0	0	0	110.5	F486 I572 L574 L580 E581 A583 T658	F486-L653 HydrophobicContact CD1-CD1 4.32Å; I572-L653 HydrophobicContact CB-CD2 4.44Å; I572-L653 HydrophobicContact CD1-CD2 3.7Å; I572-L653 HydrophobicContact CG2-CD2 4.19Å; L574-L653 HydrophobicContact CD1-CB 4.21Å; L574-L653 HydrophobicContact CD1-CD1 4.14Å; L580-L653 HydrophobicContact CB-CD1 3.69Å; L580-L653 HydrophobicContact CD1-CD1 4.39Å; E581-L653 PolarHBondContact O-N 3.13Å; A583-L653 HydrophobicContact CB-CD1 4.5Å; A583-L653 HydrophobicContact CB-CD2 3.87Å; A583-L653 HydrophobicContact CB-CG 4.41Å; L653-T658 WeakPolarHBondContact CA-OG1 3.49Å; L653-T658 HydrophobicContact CD2-CG2 3.98Å
654	R	92.6	Very high	96.8	Very high	76 Å²	76	25.2 Å²	25.2	29%	0.287	13%	0.128	S	C	.	.	P	Polyproline II helix	trans	-91.4	136.7	168.5	-69.2	-176.4	-70.7	-79.2	-1	110.4	D620 D621 P656 I657 T658	D620-R654 VanDerWaalsContact CG-NH2 3.28Å; D620-R654 IonicContact OD1-NH2 3.23Å; D620-R654 IonicContact OD2-CZ 3.27Å; D620-R654 IonicContact OD2-NH1 2.7Å; D620-R654 PolarHBondContact OD2-NH1 3.36Å; D620-R654 IonicContact OD2-NH2 2.79Å; D620-R654 PolarHBondContact OD2-NH2 3.27Å; D621-R654 IonicContact OD1-CZ 3.74Å; D621-R654 IonicContact OD1-NE 3.85Å; D621-R654 IonicContact OD1-NH2 2.89Å; D621-R654 PolarHBondContact OD1-NH2 2.7Å; R654-P656 CarbonylContact O-C 3.55Å; R654-I657 CarbonylContact O-C 3.54Å; R654-I657 VanDerWaalsContact O-C 3.3Å; R654-I657 PolarHBondContact O-N 3.43Å; R654-T658 PolarHBondContact N-OG1 2.89Å; R654-T658 PolarHBondContact O-OG1 2.81Å
655	H	88.6	Confident	96.9	Very high	103 Å²	103	25.4 Å²	25.4	48%	0.477	13%	0.129	S	C	.	.	S	Bend	trans	-83.3	140.4	176.2	-163.7	-78.9	0	0	0	111.7	E575 D576	E575-H655 PolarHBondContact O-NE2 3.17Å; E575-H655 VanDerWaalsContact O-NE2 3.12Å; D576-H655 VanDerWaalsContact CA-NE2 3.3Å; D576-H655 WeakPolarHBondContact CA-NE2 3.19Å; D576-H655 IonicContact OD1-CE1 3.46Å; D576-H655 PolarHBondContact OD1-CE1 3.26Å; D576-H655 VanDerWaalsContact OD1-CE1 3.31Å; D576-H655 IonicContact OD1-NE2 2.8Å
656	P	91.8	Very high	96.9	Very high	52 Å²	52	24.6 Å²	24.6	34%	0.338	13%	0.125	S	C	.	.	S	Bend	cis	-86.2	-13.3	-9	32.1	-33.5	0	0	0	113.3	H573 L574 R654	H573-P656 WeakPolarHBondContact CA-O 3.45Å; L574-P656 PolarHBondContact N-O 3.15Å; R654-P656 CarbonylContact O-C 3.55Å
657	I	95	Very high	96.8	Very high	32 Å²	32	26 Å²	26	16%	0.164	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	128.6	-170.3	-64.8	148.2	0	0	0	109.5	Q571 I572 H573 R654 R659 T700	Q571-I657 HydrophobicContact CG-CG2 4.17Å; I572-I657 WeakPolarHBondContact O-CA 3.49Å; H573-I657 HydrophobicContact CB-CG1 4.3Å; R654-I657 CarbonylContact O-C 3.54Å; R654-I657 VanDerWaalsContact O-C 3.3Å; R654-I657 PolarHBondContact O-N 3.43Å; I657-R659 HydrophobicContact CG2-CG 4.12Å; I657-T700 HydrophobicContact CD1-CG2 3.45Å; I657-T700 VanDerWaalsContact CD1-CG2 3.45Å; I657-T700 HydrophobicContact CG1-CG2 4.17Å; I657-T700 HydrophobicContact CG2-CG2 4.33Å
658	T	96.5	Very high	96.7	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	135.9	169.4	-53.6	0	0	0	0	109.1	I572 T651 L653 R654 V660	I572-T658 PolarHBondContact N-O 2.96Å; I572-T658 PolarHBondContact O-N 2.81Å; T651-T658 HydrophobicContact CG2-CG2 4.23Å; L653-T658 WeakPolarHBondContact CA-OG1 3.49Å; L653-T658 HydrophobicContact CD2-CG2 3.98Å; R654-T658 PolarHBondContact N-OG1 2.89Å; R654-T658 PolarHBondContact O-OG1 2.81Å; T658-V660 HydrophobicContact CG2-CG2 4.32Å
659	R	97.2	Very high	96.8	Very high	11 Å²	11	29.6 Å²	29.6	4%	0.042	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	132.4	173.9	-66.1	169.7	-65.3	-161.5	-1.1	109.9	D570 Q571 D620 D621 I657 D679 Q682 L683	D570-R659 CarbonylContact O-C 3.59Å; D570-R659 WeakPolarHBondContact O-CA 3.4Å; Q571-R659 HydrophobicContact CB-CG 4.15Å; Q571-R659 HydrophobicContact CG-CG 3.97Å; D620-R659 WeakPolarHBondContact CA-O 3.11Å; D621-R659 HydrophobicContact CB-CB 4.02Å; D621-R659 PolarHBondContact N-O 2.69Å; D621-R659 IonicContact OD2-CZ 3.5Å; D621-R659 IonicContact OD2-NE 3.59Å; D621-R659 PolarHBondContact OD2-NE 3.11Å; D621-R659 IonicContact OD2-NH2 3.45Å; D621-R659 PolarHBondContact OD2-NH2 3.04Å; I657-R659 HydrophobicContact CG2-CG 4.12Å; R659-D679 VanDerWaalsContact CZ-O 3.25Å; R659-D679 PolarHBondContact NH1-O 3.31Å; R659-D679 PolarHBondContact NH2-O 2.88Å; R659-Q682 PolarHBondContact NH1-O 3.24Å; R659-L683 HydrophobicContact CB-CD2 4.24Å
660	V	97.9	Very high	96.6	Very high	4 Å²	4	34.5 Å²	34.5	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	132.1	178.8	-162.2	0	0	0	0	109	V569 D570 T651 T658 Y662	V569-V660 WeakPolarHBondContact CA-O 3.42Å; D570-V660 PolarHBondContact N-O 2.67Å; D570-V660 PolarHBondContact O-N 3.04Å; T651-V660 HydrophobicContact CG2-CG2 3.79Å; T658-V660 HydrophobicContact CG2-CG2 4.32Å; V660-Y662 HydrophobicContact CB-CE2 3.86Å; V660-Y662 HydrophobicContact CG1-CE1 4.15Å; V660-Y662 HydrophobicContact CG1-CE2 3.69Å; V660-Y662 VanDerWaalsContact CG1-CZ 3.46Å; V660-Y662 WeakPolarHBondContact CG1-OH 3.3Å
661	I	98.6	Very high	96.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130	-170.9	-53.8	87.9	0	0	0	108.3	L567 L568 V569 W618 M619 D621 F674 V676 L683 V685	L567-I661 HydrophobicContact CD1-CG2 3.45Å; L567-I661 VanDerWaalsContact CD1-CG2 3.45Å; L568-I661 CarbonylContact O-C 3.52Å; L568-I661 WeakPolarHBondContact O-CA 3.49Å; V569-I661 HydrophobicContact CG2-CG1 4.28Å; V569-I661 HydrophobicContact CG2-CG2 4.21Å; W618-I661 CarbonylContact C-O 3.51Å; W618-I661 WeakPolarHBondContact CA-O 3.48Å; W618-I661 WeakPolarHBondContact CB-O 3.49Å; M619-I661 PolarHBondContact N-O 3.05Å; M619-I661 WeakPolarHBondContact O-CD1 3.4Å; M619-I661 PolarHBondContact O-N 3.31Å; D621-I661 HydrophobicContact CB-CD1 4.18Å; I661-F674 HydrophobicContact CB-CZ 4.26Å; I661-F674 HydrophobicContact CG2-CE2 3.86Å; I661-F674 HydrophobicContact CG2-CZ 3.66Å; I661-V676 HydrophobicContact CB-CG1 4.33Å; I661-V676 HydrophobicContact CD1-CB 4.49Å; I661-V676 HydrophobicContact CD1-CG1 4.13Å; I661-V676 HydrophobicContact CG1-CG1 4.11Å; I661-V676 HydrophobicContact CG2-CG1 4.37Å; I661-L683 HydrophobicContact CD1-CD1 4.26Å; I661-L683 HydrophobicContact CD1-CD2 4.06Å; I661-L683 HydrophobicContact CG1-CD2 3.8Å; I661-V685 HydrophobicContact CG1-CG2 4.3Å; I661-V685 HydrophobicContact CG2-CG1 4.32Å; I661-V685 HydrophobicContact CG2-CG2 4.1Å
662	Y	98.8	Very high	96.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	136.2	178.2	-48.2	-100.4	0	0	0	109.5	L568 S585 F587 M616 Y617 W618 V649 V660	L568-Y662 HydrophobicContact CB-CD2 4.41Å; L568-Y662 HydrophobicContact CD2-CD2 3.46Å; L568-Y662 VanDerWaalsContact CD2-CD2 3.46Å; L568-Y662 HydrophobicContact CD2-CE2 3.88Å; L568-Y662 HydrophobicContact CD2-CG 4.43Å; L568-Y662 HydrophobicContact CG-CD2 4.48Å; L568-Y662 PolarHBondContact N-O 2.89Å; L568-Y662 PolarHBondContact O-N 3.39Å; S585-Y662 VanDerWaalsContact CB-OH 3.31Å; S585-Y662 WeakPolarHBondContact CB-OH 3.48Å; S585-Y662 PolarHBondContact OG-OH 2.8Å; F587-Y662 HydrophobicContact CE1-CD1 4.47Å; F587-Y662 AromaticContact CE2-CD1 3.76Å; F587-Y662 HydrophobicContact CE2-CD1 3.76Å; F587-Y662 AromaticContact CE2-CE1 3.51Å; F587-Y662 HydrophobicContact CE2-CE1 3.51Å; F587-Y662 AromaticContact CZ-CD1 3.49Å; F587-Y662 HydrophobicContact CZ-CD1 3.49Å; F587-Y662 VanDerWaalsContact CZ-CD1 3.49Å; F587-Y662 HydrophobicContact CZ-CD2 4.26Å; F587-Y662 AromaticContact CZ-CE1 3.45Å; F587-Y662 HydrophobicContact CZ-CE1 3.45Å; F587-Y662 VanDerWaalsContact CZ-CE1 3.45Å; F587-Y662 HydrophobicContact CZ-CE2 4.19Å; F587-Y662 AromaticContact CZ-CG 3.93Å; F587-Y662 HydrophobicContact CZ-CG 3.93Å; F587-Y662 AromaticContact CZ-CZ 3.81Å; M616-Y662 HydrophobicContact CE-CD1 4.46Å; Y617-Y662 CarbonylContact O-C 3.49Å; Y617-Y662 WeakPolarHBondContact O-CA 3.14Å; W618-Y662 HydrophobicContact CB-CD1 3.45Å; W618-Y662 VanDerWaalsContact CB-CD1 3.45Å; W618-Y662 HydrophobicContact CB-CE1 3.85Å; W618-Y662 HydrophobicContact CB-CG 4.19Å; W618-Y662 HydrophobicContact CG-CD1 4.24Å; W618-Y662 HydrophobicContact CG-CE1 4.33Å; V649-Y662 HydrophobicContact CB-CE1 4.1Å; V649-Y662 HydrophobicContact CG1-CE1 4.03Å; V649-Y662 HydrophobicContact CG2-CE1 4.12Å; V660-Y662 HydrophobicContact CB-CE2 3.86Å; V660-Y662 HydrophobicContact CG1-CE1 4.15Å; V660-Y662 HydrophobicContact CG1-CE2 3.69Å; V660-Y662 VanDerWaalsContact CG1-CZ 3.46Å; V660-Y662 WeakPolarHBondContact CG1-OH 3.3Å
663	L	98.9	Very high	96.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	121.1	178.9	-171.4	69.3	0	0	0	109.5	L565 L567 M616 Y617 I665 V671 F674 V687	L565-L663 HydrophobicContact CD1-CD1 3.75Å; L565-L663 HydrophobicContact CD1-CD2 4.26Å; L565-L663 HydrophobicContact CD1-CG 3.98Å; L565-L663 HydrophobicContact CG-CD1 4.15Å; L567-L663 HydrophobicContact CB-CD1 4.39Å; L567-L663 HydrophobicContact CD1-CD1 4.28Å; M616-L663 CarbonylContact C-O 3.6Å; M616-L663 WeakPolarHBondContact CA-O 3.4Å; Y617-L663 PolarHBondContact N-O 2.86Å; Y617-L663 PolarHBondContact O-N 2.84Å; L663-I665 HydrophobicContact CD2-CD1 4.18Å; L663-I665 HydrophobicContact CD2-CG1 4.32Å; L663-I665 HydrophobicContact CG-CD1 4.43Å; L663-I665 HydrophobicContact CG-CG1 4.12Å; L663-V671 HydrophobicContact CD2-CG1 4.15Å; L663-V671 HydrophobicContact CD2-CG2 4.23Å; L663-F674 HydrophobicContact CB-CD1 4.34Å; L663-F674 HydrophobicContact CB-CE1 4.02Å; L663-F674 HydrophobicContact CB-CZ 4.17Å; L663-F674 HydrophobicContact CD2-CB 4.33Å; L663-F674 HydrophobicContact CD2-CD1 4.22Å; L663-F674 HydrophobicContact CD2-CD2 4.34Å; L663-F674 HydrophobicContact CD2-CG 4.05Å; L663-V687 HydrophobicContact CD1-CG2 4.13Å; L663-V687 HydrophobicContact CD2-CG1 3.94Å; L663-V687 HydrophobicContact CD2-CG2 4.22Å
664	F	98.9	Very high	96.5	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	129.5	179.9	-55.6	-94.4	0	0	0	109.9	F458 F460 F467 I468 L565 L566 L568 F587 K615 M616	F458-F664 HydrophobicContact CE2-CE2 4.36Å; F458-F664 HydrophobicContact CE2-CZ 4.31Å; F458-F664 HydrophobicContact CZ-CE1 4.1Å; F458-F664 AromaticContact CZ-CE2 3.92Å; F458-F664 HydrophobicContact CZ-CE2 3.92Å; F458-F664 AromaticContact CZ-CZ 3.57Å; F458-F664 HydrophobicContact CZ-CZ 3.57Å; F460-F664 HydrophobicContact CD1-CB 4Å; F460-F664 HydrophobicContact CE1-CB 4.01Å; F467-F664 HydrophobicContact CD1-CB 4.37Å; F467-F664 HydrophobicContact CD1-CD1 4.33Å; F467-F664 HydrophobicContact CE1-CB 3.93Å; F467-F664 AromaticContact CE1-CD1 3.74Å; F467-F664 HydrophobicContact CE1-CD1 3.74Å; F467-F664 HydrophobicContact CE1-CG 4.34Å; F467-F664 HydrophobicContact CZ-CD1 4.32Å; I468-F664 HydrophobicContact CD1-CD1 3.97Å; I468-F664 HydrophobicContact CD1-CE1 3.74Å; I468-F664 HydrophobicContact CG1-CD1 3.78Å; I468-F664 HydrophobicContact CG1-CE1 3.69Å; L565-F664 WeakPolarHBondContact CA-O 3.31Å; L566-F664 HydrophobicContact CB-CB 4.19Å; L566-F664 HydrophobicContact CB-CD2 4.35Å; L566-F664 HydrophobicContact CD2-CD2 4.05Å; L566-F664 HydrophobicContact CG-CD2 4.12Å; L566-F664 PolarHBondContact N-O 3.08Å; L566-F664 PolarHBondContact O-N 2.9Å; L568-F664 HydrophobicContact CB-CE2 3.9Å; L568-F664 HydrophobicContact CD1-CE2 4.47Å; F587-F664 HydrophobicContact CD1-CE1 4.15Å; F587-F664 AromaticContact CD1-CZ 3.88Å; F587-F664 HydrophobicContact CD1-CZ 3.88Å; F587-F664 HydrophobicContact CE1-CE1 4.42Å; F587-F664 AromaticContact CE1-CZ 3.71Å; F587-F664 HydrophobicContact CE1-CZ 3.71Å; F587-F664 HydrophobicContact CZ-CZ 4.47Å; K615-F664 WeakPolarHBondContact O-CA 3.44Å; M616-F664 HydrophobicContact CB-CD1 3.68Å; M616-F664 HydrophobicContact CB-CE1 3.91Å; M616-F664 HydrophobicContact CB-CG 4.41Å; M616-F664 HydrophobicContact CE-CE1 3.67Å; M616-F664 HydrophobicContact CE-CZ 4.05Å; M616-F664 HydrophobicContact SD-CD1 4.38Å; M616-F664 HydrophobicContact SD-CE1 3.83Å
665	I	98.8	Very high	96.7	Very high	7 Å²	7	36 Å²	36	4%	0.036	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	122.6	-164.4	-49	165.6	0	0	0	109.4	Q564 L565 Y614 K615 Y617 L663 I669 V671	Q564-I665 CarbonylContact O-C 3.5Å; Q564-I665 WeakPolarHBondContact O-CA 3.49Å; L565-I665 HydrophobicContact CD1-CG1 3.89Å; L565-I665 HydrophobicContact CD1-CG2 4.5Å; Y614-I665 WeakPolarHBondContact CA-O 3.11Å; K615-I665 HydrophobicContact CB-CB 4.43Å; K615-I665 PolarHBondContact N-O 3.46Å; K615-I665 PolarHBondContact O-N 3.2Å; Y617-I665 HydrophobicContact CD2-CD1 3.72Å; Y617-I665 HydrophobicContact CE2-CD1 3.93Å; L663-I665 HydrophobicContact CD2-CD1 4.18Å; L663-I665 HydrophobicContact CD2-CG1 4.32Å; L663-I665 HydrophobicContact CG-CD1 4.43Å; L663-I665 HydrophobicContact CG-CG1 4.12Å; I665-I669 HydrophobicContact CG2-CB 3.88Å; I665-I669 HydrophobicContact CG2-CG2 4.09Å; I665-I669 WeakPolarHBondContact CG2-O 3.37Å; I665-V671 HydrophobicContact CD1-CB 4.1Å; I665-V671 HydrophobicContact CD1-CG2 3.57Å; I665-V671 HydrophobicContact CG1-CG2 3.98Å; I665-V671 HydrophobicContact CG2-CG2 4.12Å
666	G	98.4	Very high	97.1	Very high	2 Å²	2	32 Å²	32	2%	0.021	18%	0.184	C	C	.	.			trans	-80.2	163.2	169.3	0	0	0	0	0	112.7	Q564 S668 I669	Q564-G666 PolarHBondContact O-N 3.08Å; G666-S668 PolarHBondContact O-N 2.61Å; G666-S668 VanDerWaalsContact O-N 3.1Å; G666-I669 PolarHBondContact O-N 3.18Å; G666-I669 VanDerWaalsContact O-N 3.13Å
667	P	97.8	Very high	97.2	Very high	45 Å²	45	37.9 Å²	37.9	29%	0.292	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-20	-166.9	26.5	-37.4	0	0	0	114.5	Y614	Y614-P667 HydrophobicContact CE1-CG 4.15Å; Y614-P667 HydrophobicContact CE2-CG 4.16Å
668	S	97.3	Very high	96.9	Very high	74 Å²	74	38 Å²	38	52%	0.517	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-5.6	179.5	-44.4	0	0	0	0	114.1	Q564 G666	Q564-S668 PolarHBondContact NE2-OG 3.5Å; Q564-S668 PolarHBondContact OE1-OG 2.95Å; G666-S668 PolarHBondContact O-N 2.61Å; G666-S668 VanDerWaalsContact O-N 3.1Å
669	I	97.6	Very high	96.4	Very high	24 Å²	24	42 Å²	42	12%	0.123	23%	0.23	C	C	.	.			trans	-107	121.4	-177	-59.2	-63.8	0	0	0	110	Q564 L565 I665 G666 V671 T689	Q564-I669 HydrophobicContact CB-CG1 3.75Å; L565-I669 HydrophobicContact CD1-CG2 4.35Å; I665-I669 HydrophobicContact CG2-CB 3.88Å; I665-I669 HydrophobicContact CG2-CG2 4.09Å; I665-I669 WeakPolarHBondContact CG2-O 3.37Å; G666-I669 PolarHBondContact O-N 3.18Å; G666-I669 VanDerWaalsContact O-N 3.13Å; I669-V671 HydrophobicContact CG2-CG2 4.03Å; I669-T689 HydrophobicContact CG2-CG2 3.72Å
670	D	95.9	Very high	95.8	Very high	105 Å²	105	46.7 Å²	46.7	56%	0.561	26%	0.262	S	S	*	.			trans	-98	105.4	171.1	-175.3	39.1	0	0	0	109.8	T689 G690	D670-T689 CarbonylContact O-C 3.58Å; D670-T689 WeakPolarHBondContact O-CA 3.38Å; D670-T689 VanDerWaalsContact O-CB 3.28Å; D670-T689 WeakPolarHBondContact O-CB 3.37Å; D670-G690 PolarHBondContact O-N 3.32Å
671	V	97.3	Very high	95.3	Very high	36 Å²	36	55.5 Å²	55.5	22%	0.218	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	117.9	177	177.2	0	0	0	0	108.8	L565 L663 I665 I669 F674 V687 T689	L565-V671 HydrophobicContact CD1-CG2 4.08Å; L663-V671 HydrophobicContact CD2-CG1 4.15Å; L663-V671 HydrophobicContact CD2-CG2 4.23Å; I665-V671 HydrophobicContact CD1-CB 4.1Å; I665-V671 HydrophobicContact CD1-CG2 3.57Å; I665-V671 HydrophobicContact CG1-CG2 3.98Å; I665-V671 HydrophobicContact CG2-CG2 4.12Å; I669-V671 HydrophobicContact CG2-CG2 4.03Å; V671-F674 HydrophobicContact CG1-CB 4.39Å; V671-V687 HydrophobicContact CG1-CG1 4.03Å; V671-V687 HydrophobicContact CG2-CG1 4.44Å; V671-T689 HydrophobicContact CG2-CG2 4.38Å
672	Q	95.8	Very high	95	Very high	125 Å²	125	57.9 Å²	57.9	58%	0.584	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.5	-27.9	-178.6	-62.6	-177.3	-15.9	0	0	112.6	T688	Q672-T688 PolarHBondContact N-O 2.86Å
673	S	96.4	Very high	94.8	Very high	48 Å²	48	57.9 Å²	57.9	34%	0.336	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	136.6	178	-175	0	0	0	0	110.7	V687 T688	S673-V687 CarbonylContact O-C 3.01Å; S673-V687 WeakPolarHBondContact O-CA 3.42Å; S673-T688 PolarHBondContact N-O 3.28Å; S673-T688 VanDerWaalsContact N-O 3.14Å; S673-T688 PolarHBondContact O-N 2.93Å
674	F	97.1	Very high	94.8	Very high	26 Å²	26	59.3 Å²	59.3	11%	0.114	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	106.5	172.6	172.3	-148.7	0	0	0	107.7	M619 I661 L663 V671 V676 V685 F686 V687	M619-F674 HydrophobicContact CE-CD1 3.61Å; M619-F674 HydrophobicContact CE-CE1 3.65Å; M619-F674 HydrophobicContact CE-CG 4.15Å; M619-F674 HydrophobicContact CE-CZ 4.22Å; M619-F674 HydrophobicContact CG-CE1 4.25Å; M619-F674 HydrophobicContact CG-CZ 4.14Å; M619-F674 HydrophobicContact SD-CE1 4.33Å; M619-F674 HydrophobicContact SD-CZ 4.32Å; I661-F674 HydrophobicContact CB-CZ 4.26Å; I661-F674 HydrophobicContact CG2-CE2 3.86Å; I661-F674 HydrophobicContact CG2-CZ 3.66Å; L663-F674 HydrophobicContact CB-CD1 4.34Å; L663-F674 HydrophobicContact CB-CE1 4.02Å; L663-F674 HydrophobicContact CB-CZ 4.17Å; L663-F674 HydrophobicContact CD2-CB 4.33Å; L663-F674 HydrophobicContact CD2-CD1 4.22Å; L663-F674 HydrophobicContact CD2-CD2 4.34Å; L663-F674 HydrophobicContact CD2-CG 4.05Å; V671-F674 HydrophobicContact CG1-CB 4.39Å; F674-V676 HydrophobicContact CE2-CG1 3.99Å; F674-V676 HydrophobicContact CZ-CG1 4.47Å; F674-V685 HydrophobicContact CD2-CG1 4.17Å; F674-V685 HydrophobicContact CE2-CG1 3.71Å; F674-F686 WeakPolarHBondContact CA-O 3.38Å; F674-V687 HydrophobicContact CD2-CG2 4.06Å
675	T	96.4	Very high	94.7	Very high	61 Å²	61	59.3 Å²	59.3	37%	0.374	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	147	-176.6	59.5	0	0	0	0	111.1	F686	T675-F686 PolarHBondContact N-O 2.78Å; T675-F686 PolarHBondContact O-N 3.16Å
676	V	96.5	Very high	94.7	Very high	18 Å²	18	61.8 Å²	61.8	11%	0.109	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	144.6	-179	-59	0	0	0	0	110.2	M619 D620 I661 F674 D684 V685	M619-V676 HydrophobicContact CG-CG1 4.09Å; M619-V676 HydrophobicContact CG-CG2 4.08Å; M619-V676 HydrophobicContact SD-CB 4.27Å; M619-V676 HydrophobicContact SD-CG1 3.75Å; M619-V676 HydrophobicContact SD-CG2 3.59Å; M619-V676 VanDerWaalsContact SD-CG2 3.59Å; D620-V676 WeakPolarHBondContact O-CG2 3.22Å; I661-V676 HydrophobicContact CB-CG1 4.33Å; I661-V676 HydrophobicContact CD1-CB 4.49Å; I661-V676 HydrophobicContact CD1-CG1 4.13Å; I661-V676 HydrophobicContact CG1-CG1 4.11Å; I661-V676 HydrophobicContact CG2-CG1 4.37Å; F674-V676 HydrophobicContact CE2-CG1 3.99Å; F674-V676 HydrophobicContact CZ-CG1 4.47Å; V676-D684 CarbonylContact C-O 3.55Å; V676-D684 WeakPolarHBondContact CA-O 3.4Å; V676-V685 HydrophobicContact CG1-CG1 4.3Å; V676-V685 HydrophobicContact CG1-CG2 4.22Å
677	R	93.9	Very high	94.7	Very high	176 Å²	176	61.7 Å²	61.7	66%	0.664	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.5	110.1	171.6	-63.2	-176.2	-179.9	-178.7	-0.1	108.5	D684	R677-D684 HydrophobicContact CB-CB 4.32Å; R677-D684 PolarHBondContact N-O 3.44Å; R677-D684 PolarHBondContact O-N 2.85Å
678	G	87.9	Confident	94.7	Very high	36 Å²	36	62 Å²	62	37%	0.371	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	137.6	175.5	0	0	0	0	0	112.2
679	D	87.8	Confident	94.7	Very high	83 Å²	83	58.9 Å²	58.9	44%	0.444	30%	0.303	S	S	.	.			trans	-120.3	175.6	158.2	80	29.7	0	0	0	109.6	R659 R681 Q682	R659-D679 VanDerWaalsContact CZ-O 3.25Å; R659-D679 PolarHBondContact NH1-O 3.31Å; R659-D679 PolarHBondContact NH2-O 2.88Å; D679-R681 PolarHBondContact O-N 2.9Å; D679-R681 VanDerWaalsContact O-N 3.11Å; D679-R681 WeakPolarHBondContact OD1-CA 3.45Å; D679-R681 PolarHBondContact OD1-N 3.01Å; D679-Q682 PolarHBondContact N-O 3.17Å; D679-Q682 VanDerWaalsContact O-O 3.08Å; D679-Q682 PolarHBondContact OD1-N 3.02Å
680	P	84.2	Confident	94.5	Very high	109 Å²	109	60 Å²	60	71%	0.708	32%	0.32	S	S	*	.	S	Bend	trans	-58.5	-23.5	-178	-27.7	36.5	0	0	0	115.5	T700	P680-T700 PolarHBondContact O-OG1 2.83Å
681	R	87.4	Confident	94.5	Very high	189 Å²	189	62.6 Å²	62.6	71%	0.713	33%	0.328	S	S	*	.	S	Bend	trans	-106.5	-29.2	-174.7	-66.7	-173.6	174.8	-166.5	-2.5	113.7	D679 W699 T700	D679-R681 PolarHBondContact O-N 2.9Å; D679-R681 VanDerWaalsContact O-N 3.11Å; D679-R681 WeakPolarHBondContact OD1-CA 3.45Å; D679-R681 PolarHBondContact OD1-N 3.01Å; R681-W699 WeakPolarHBondContact O-CA 3.38Å; R681-T700 PolarHBondContact O-N 2.86Å; R681-T700 PolarHBondContact O-OG1 2.85Å
682	Q	91.8	Very high	94.4	Very high	50 Å²	50	63.7 Å²	63.7	23%	0.234	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	145.3	-170.4	-163.7	176.6	-67.4	0	0	111.2	R659 D679 D684 L698	R659-Q682 PolarHBondContact NH1-O 3.24Å; D679-Q682 PolarHBondContact N-O 3.17Å; D679-Q682 VanDerWaalsContact O-O 3.08Å; D679-Q682 PolarHBondContact OD1-N 3.02Å; Q682-D684 WeakPolarHBondContact CG-OD1 3.38Å; Q682-D684 PolarHBondContact NE2-OD1 3.43Å; Q682-L698 CarbonylContact C-O 3.51Å; Q682-L698 VanDerWaalsContact CA-O 3.31Å; Q682-L698 WeakPolarHBondContact CA-O 3.49Å; Q682-L698 WeakPolarHBondContact CG-O 3.26Å
683	L	95.7	Very high	94.5	Very high	1 Å²	1	59.8 Å²	59.8	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126.1	168.6	176.1	66.6	0	0	0	108.6	V569 D621 R659 I661 V685 Y697 L698	V569-L683 HydrophobicContact CG1-CD2 3.49Å; V569-L683 VanDerWaalsContact CG1-CD2 3.49Å; V569-L683 HydrophobicContact CG2-CD2 4.24Å; D621-L683 HydrophobicContact CB-CD1 3.71Å; R659-L683 HydrophobicContact CB-CD2 4.24Å; I661-L683 HydrophobicContact CD1-CD1 4.26Å; I661-L683 HydrophobicContact CD1-CD2 4.06Å; I661-L683 HydrophobicContact CG1-CD2 3.8Å; L683-V685 HydrophobicContact CD2-CG2 4.27Å; L683-V685 HydrophobicContact CG-CG2 4.17Å; L683-Y697 WeakPolarHBondContact O-CA 3.39Å; L683-L698 PolarHBondContact N-O 2.9Å; L683-L698 PolarHBondContact O-N 2.94Å
684	D	97	Very high	94.6	Very high	31 Å²	31	58.3 Å²	58.3	17%	0.166	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	127.4	176.4	-59.5	-0.6	0	0	0	108.5	V676 R677 Q682 F686 V696 Y697	V676-D684 CarbonylContact C-O 3.55Å; V676-D684 WeakPolarHBondContact CA-O 3.4Å; R677-D684 HydrophobicContact CB-CB 4.32Å; R677-D684 PolarHBondContact N-O 3.44Å; R677-D684 PolarHBondContact O-N 2.85Å; Q682-D684 WeakPolarHBondContact CG-OD1 3.38Å; Q682-D684 PolarHBondContact NE2-OD1 3.43Å; D684-F686 HydrophobicContact CB-CE2 3.66Å; D684-F686 HydrophobicContact CB-CZ 3.93Å; D684-V696 CarbonylContact C-O 3.57Å; D684-V696 WeakPolarHBondContact CA-O 3.3Å; D684-Y697 HydrophobicContact CB-CD1 4.27Å; D684-Y697 HydrophobicContact CB-CE1 4.36Å; D684-Y697 VanDerWaalsContact OD1-CD1 3.3Å; D684-Y697 WeakPolarHBondContact OD1-CD1 3.4Å
685	V	98.4	Very high	94.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	122.1	174.4	-175.7	0	0	0	0	108.7	L567 I661 F674 V676 L683 V687 A695 V696	L567-V685 HydrophobicContact CD1-CG1 3.95Å; L567-V685 HydrophobicContact CD2-CB 4.13Å; L567-V685 HydrophobicContact CD2-CG1 4.1Å; L567-V685 HydrophobicContact CD2-CG2 4.33Å; I661-V685 HydrophobicContact CG1-CG2 4.3Å; I661-V685 HydrophobicContact CG2-CG1 4.32Å; I661-V685 HydrophobicContact CG2-CG2 4.1Å; F674-V685 HydrophobicContact CD2-CG1 4.17Å; F674-V685 HydrophobicContact CE2-CG1 3.71Å; V676-V685 HydrophobicContact CG1-CG1 4.3Å; V676-V685 HydrophobicContact CG1-CG2 4.22Å; L683-V685 HydrophobicContact CD2-CG2 4.27Å; L683-V685 HydrophobicContact CG-CG2 4.17Å; V685-V687 HydrophobicContact CG1-CG2 4.12Å; V685-A695 CarbonylContact O-C 3.48Å; V685-A695 WeakPolarHBondContact O-CA 3.21Å; V685-V696 HydrophobicContact CB-CB 4.33Å; V685-V696 PolarHBondContact N-O 2.82Å; V685-V696 PolarHBondContact O-N 3.42Å
686	F	98.1	Very high	94.7	Very high	58 Å²	58	54.8 Å²	54.8	25%	0.254	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	123.4	176.7	-55.5	-84.5	0	0	0	109.5	F674 T675 D684 Y694 A695 Y697	F674-F686 WeakPolarHBondContact CA-O 3.38Å; T675-F686 PolarHBondContact N-O 2.78Å; T675-F686 PolarHBondContact O-N 3.16Å; D684-F686 HydrophobicContact CB-CE2 3.66Å; D684-F686 HydrophobicContact CB-CZ 3.93Å; F686-Y694 WeakPolarHBondContact CA-O 3.13Å; F686-A695 HydrophobicContact CD1-CB 3.65Å; F686-A695 HydrophobicContact CE1-CB 3.72Å; F686-Y697 HydrophobicContact CZ-CE1 4.4Å
687	V	98.3	Very high	94.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	120.2	176.8	-174.4	0	0	0	0	108.5	L565 L663 V671 S673 F674 V685 Y694	L565-V687 HydrophobicContact CD2-CG1 4.14Å; L663-V687 HydrophobicContact CD1-CG2 4.13Å; L663-V687 HydrophobicContact CD2-CG1 3.94Å; L663-V687 HydrophobicContact CD2-CG2 4.22Å; V671-V687 HydrophobicContact CG1-CG1 4.03Å; V671-V687 HydrophobicContact CG2-CG1 4.44Å; S673-V687 CarbonylContact O-C 3.01Å; S673-V687 WeakPolarHBondContact O-CA 3.42Å; F674-V687 HydrophobicContact CD2-CG2 4.06Å; V685-V687 HydrophobicContact CG1-CG2 4.12Å; V687-Y694 PolarHBondContact N-O 3.22Å; V687-Y694 PolarHBondContact O-N 3.32Å
688	T	97.9	Very high	94.8	Very high	53 Å²	53	48.1 Å²	48.1	33%	0.325	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	128.3	173.5	-51.9	0	0	0	0	108.8	Q672 S673	Q672-T688 PolarHBondContact N-O 2.86Å; S673-T688 PolarHBondContact N-O 3.28Å; S673-T688 VanDerWaalsContact N-O 3.14Å; S673-T688 PolarHBondContact O-N 2.93Å
689	T	97.3	Very high	94.9	Very high	8 Å²	8	49.2 Å²	49.2	5%	0.049	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	173.6	172.6	77.1	0	0	0	0	109.8	L565 I669 D670 V671 E691 H692 Y694	L565-T689 HydrophobicContact CD2-CG2 4.12Å; I669-T689 HydrophobicContact CG2-CG2 3.72Å; D670-T689 CarbonylContact O-C 3.58Å; D670-T689 WeakPolarHBondContact O-CA 3.38Å; D670-T689 VanDerWaalsContact O-CB 3.28Å; D670-T689 WeakPolarHBondContact O-CB 3.37Å; V671-T689 HydrophobicContact CG2-CG2 4.38Å; T689-E691 PolarHBondContact O-N 3.41Å; T689-E691 VanDerWaalsContact O-N 3.08Å; T689-E691 PolarHBondContact OG1-N 2.85Å; T689-H692 PolarHBondContact N-O 3.48Å; T689-H692 PolarHBondContact OG1-N 2.94Å; T689-H692 PolarHBondContact OG1-O 2.77Å; T689-Y694 HydrophobicContact CG2-CE2 4.24Å
690	G	94.2	Very high	94.6	Very high	47 Å²	47	45.3 Å²	45.3	49%	0.485	24%	0.235	S	C	.	.	S	Bend	trans	-57.7	-18.6	173.1	0	0	0	0	0	114.9	D670	D670-G690 PolarHBondContact O-N 3.32Å
691	E	94.2	Very high	94	Very high	159 Å²	159	43.3 Å²	43.3	74%	0.743	22%	0.22	S	C	*	.	S	Bend	trans	-120.2	-29.4	-175.4	-63.5	-174.7	165.9	0	0	114.1	T689	T689-E691 PolarHBondContact O-N 3.41Å; T689-E691 VanDerWaalsContact O-N 3.08Å; T689-E691 PolarHBondContact OG1-N 2.85Å
692	H	96.6	Very high	92.9	Very high	59 Å²	59	37.1 Å²	37.1	27%	0.273	20%	0.2	S	C	.	.			trans	-138.1	153.4	-167.7	-64.5	-69.7	0	0	0	112.6	T689 Y694 D715	T689-H692 PolarHBondContact N-O 3.48Å; T689-H692 PolarHBondContact OG1-N 2.94Å; T689-H692 PolarHBondContact OG1-O 2.77Å; H692-Y694 HydrophobicContact CB-CD2 4.35Å; H692-Y694 HydrophobicContact CB-CE2 3.5Å; H692-Y694 VanDerWaalsContact CB-CE2 3.5Å; H692-D715 WeakPolarHBondContact CA-OD1 3.33Å; H692-D715 IonicContact CE1-OD2 3.88Å; H692-D715 IonicContact CG-OD2 3.15Å; H692-D715 IonicContact ND1-OD1 3.81Å; H692-D715 IonicContact ND1-OD2 3.31Å; H692-D715 PolarHBondContact ND1-OD2 2.92Å
693	A	97.7	Very high	91.1	Very high	44 Å²	44	40.6 Å²	40.6	36%	0.364	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	129.8	169.7	0	0	0	0	0	110.8	D715	A693-D715 PolarHBondContact N-OD1 3.3Å; A693-D715 PolarHBondContact O-N 3.41Å
694	Y	98.4	Very high	89.2	Confident	17 Å²	17	42.2 Å²	42.2	7%	0.067	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.4	179	-56.2	-85.8	0	0	0	110.3	L561 L565 F686 V687 T689 H692 V713 A714	L561-Y694 HydrophobicContact CB-CD1 3.99Å; L561-Y694 HydrophobicContact CB-CE1 4.09Å; L561-Y694 HydrophobicContact CB-CG 4.34Å; L561-Y694 HydrophobicContact CD1-CG 4.14Å; L561-Y694 HydrophobicContact CD2-CD1 4.17Å; L561-Y694 HydrophobicContact CG-CD1 4.45Å; L565-Y694 HydrophobicContact CD2-CD2 4.06Å; L565-Y694 HydrophobicContact CD2-CE2 3.92Å; F686-Y694 WeakPolarHBondContact CA-O 3.13Å; V687-Y694 PolarHBondContact N-O 3.22Å; V687-Y694 PolarHBondContact O-N 3.32Å; T689-Y694 HydrophobicContact CG2-CE2 4.24Å; H692-Y694 HydrophobicContact CB-CD2 4.35Å; H692-Y694 HydrophobicContact CB-CE2 3.5Å; H692-Y694 VanDerWaalsContact CB-CE2 3.5Å; Y694-V713 CarbonylContact C-O 3.26Å; Y694-V713 VanDerWaalsContact CA-O 3.31Å; Y694-V713 WeakPolarHBondContact CA-O 3.38Å; Y694-A714 HydrophobicContact CD1-CB 3.78Å; Y694-A714 HydrophobicContact CE1-CB 3.8Å
695	A	98.2	Very high	86.9	Confident	11 Å²	11	46.2 Å²	46.2	9%	0.091	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	125	167	0	0	0	0	0	109.7	V685 F686 Y697 V712 V713	V685-A695 CarbonylContact O-C 3.48Å; V685-A695 WeakPolarHBondContact O-CA 3.21Å; F686-A695 HydrophobicContact CD1-CB 3.65Å; F686-A695 HydrophobicContact CE1-CB 3.72Å; A695-Y697 HydrophobicContact CB-CE2 3.76Å; A695-V712 CarbonylContact O-C 3.6Å; A695-V712 WeakPolarHBondContact O-CA 3.39Å; A695-V713 HydrophobicContact CB-CB 4.28Å; A695-V713 PolarHBondContact N-O 3.33Å; A695-V713 PolarHBondContact O-N 2.75Å
696	V	98.1	Very high	84.8	Confident	1 Å²	1	57.9 Å²	57.9	1%	0.006	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	124.4	-178.4	-171.7	0	0	0	0	109	V559 L561 L567 D684 V685 L698 V710 Q711 V712	V559-V696 HydrophobicContact CG2-CG1 4.26Å; L561-V696 HydrophobicContact CD1-CG2 4.26Å; L561-V696 HydrophobicContact CD2-CG2 3.68Å; L567-V696 HydrophobicContact CD2-CB 3.9Å; L567-V696 HydrophobicContact CD2-CG1 3.98Å; L567-V696 HydrophobicContact CD2-CG2 3.74Å; D684-V696 CarbonylContact C-O 3.57Å; D684-V696 WeakPolarHBondContact CA-O 3.3Å; V685-V696 HydrophobicContact CB-CB 4.33Å; V685-V696 PolarHBondContact N-O 2.82Å; V685-V696 PolarHBondContact O-N 3.42Å; V696-L698 HydrophobicContact CG1-CD1 3.64Å; V696-L698 HydrophobicContact CG1-CG 4.4Å; V696-V710 HydrophobicContact CG1-CG2 3.46Å; V696-V710 VanDerWaalsContact CG1-CG2 3.46Å; V696-Q711 CarbonylContact C-O 3.41Å; V696-Q711 WeakPolarHBondContact CA-O 3.21Å; V696-V712 HydrophobicContact CG1-CG2 4.26Å; V696-V712 HydrophobicContact CG2-CG1 4.49Å; V696-V712 HydrophobicContact CG2-CG2 4.37Å
697	Y	96.3	Very high	83.5	Confident	50 Å²	50	56 Å²	56	20%	0.196	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	114.1	-178.5	-53.1	-85.9	0	0	0	108.8	L683 D684 F686 A695 V710 Q711 V713	L683-Y697 WeakPolarHBondContact O-CA 3.39Å; D684-Y697 HydrophobicContact CB-CD1 4.27Å; D684-Y697 HydrophobicContact CB-CE1 4.36Å; D684-Y697 VanDerWaalsContact OD1-CD1 3.3Å; D684-Y697 WeakPolarHBondContact OD1-CD1 3.4Å; F686-Y697 HydrophobicContact CZ-CE1 4.4Å; A695-Y697 HydrophobicContact CB-CE2 3.76Å; Y697-V710 CarbonylContact O-C 3.54Å; Y697-V710 VanDerWaalsContact O-CA 3.3Å; Y697-V710 WeakPolarHBondContact O-CA 3.39Å; Y697-V710 WeakPolarHBondContact O-CG2 3.49Å; Y697-Q711 HydrophobicContact CD2-CB 4.27Å; Y697-Q711 HydrophobicContact CD2-CG 4.1Å; Y697-Q711 PolarHBondContact N-O 2.8Å; Y697-Q711 PolarHBondContact O-N 3.04Å; Y697-V713 HydrophobicContact CE2-CG2 3.99Å
698	L	94.4	Very high	82.8	Confident	4 Å²	4	56.7 Å²	56.7	2%	0.021	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.7	176.3	-62.3	97.1	0	0	0	110.4	N557 V569 Q682 L683 V696 V710	N557-L698 HydrophobicContact CB-CD2 3.73Å; V569-L698 HydrophobicContact CB-CD2 4.17Å; V569-L698 HydrophobicContact CG1-CD2 4.4Å; V569-L698 HydrophobicContact CG2-CD1 4.07Å; V569-L698 HydrophobicContact CG2-CD2 4.36Å; Q682-L698 CarbonylContact C-O 3.51Å; Q682-L698 VanDerWaalsContact CA-O 3.31Å; Q682-L698 WeakPolarHBondContact CA-O 3.49Å; Q682-L698 WeakPolarHBondContact CG-O 3.26Å; L683-L698 PolarHBondContact N-O 2.9Å; L683-L698 PolarHBondContact O-N 2.94Å; V696-L698 HydrophobicContact CG1-CD1 3.64Å; V696-L698 HydrophobicContact CG1-CG 4.4Å; L698-V710 HydrophobicContact CD1-CG2 4.46Å; L698-V710 HydrophobicContact CG-CB 4.36Å; L698-V710 HydrophobicContact CG-CG2 3.93Å
699	W	90.3	Very high	82.4	Confident	59 Å²	59	54.5 Å²	54.5	22%	0.223	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136	178.4	-63.8	-81.8	0	0	0	112.5	R681 A708 Q711	R681-W699 WeakPolarHBondContact O-CA 3.38Å; W699-A708 HydrophobicContact CE3-CB 4.16Å; W699-A708 HydrophobicContact CH2-CB 3.97Å; W699-A708 HydrophobicContact CZ3-CB 3.46Å; W699-A708 VanDerWaalsContact CZ3-CB 3.46Å; W699-Q711 HydrophobicContact CH2-CB 3.67Å; W699-Q711 HydrophobicContact CZ3-CB 4.13Å
700	T	82	Confident	82.3	Confident	1 Å²	1	54.1 Å²	54.1	1%	0.006	29%	0.292	C	S	.	.	S	Bend	trans	-70.8	-35.6	179.1	-52	0	0	0	0	112.4	K553 Q571 I657 P680 R681	K553-T700 PolarHBondContact NZ-O 3.34Å; Q571-T700 PolarHBondContact NE2-O 2.91Å; I657-T700 HydrophobicContact CD1-CG2 3.45Å; I657-T700 VanDerWaalsContact CD1-CG2 3.45Å; I657-T700 HydrophobicContact CG1-CG2 4.17Å; I657-T700 HydrophobicContact CG2-CG2 4.33Å; P680-T700 PolarHBondContact O-OG1 2.83Å; R681-T700 PolarHBondContact O-N 2.86Å; R681-T700 PolarHBondContact O-OG1 2.85Å
701	V	70.9	Confident	82.4	Confident	67 Å²	67	53.6 Å²	53.6	41%	0.406	28%	0.276	S	S	.	.	S	Bend	trans	-125.5	131.7	-177.3	-170	0	0	0	0	109.9	D703	V701-D703 VanDerWaalsContact CG1-OD1 3.24Å; V701-D703 WeakPolarHBondContact CG1-OD1 3.43Å; V701-D703 PolarHBondContact O-N 3.16Å
702	E	65.8	Low	82.6	Confident	60 Å²	60	46 Å²	46	28%	0.28	24%	0.241	S	C	.	.			trans	-91.5	72.5	176.9	-67.2	171.4	-156.3	0	0	109.5	R538 G704 F709	R538-E702 IonicContact NH1-OE1 3.46Å; R538-E702 PolarHBondContact NH1-OE1 3.5Å; E702-G704 PolarHBondContact O-N 3.32Å; E702-F709 VanDerWaalsContact CD-CE1 3.42Å; E702-F709 HydrophobicContact CG-CD1 4.45Å; E702-F709 WeakPolarHBondContact OE1-CD1 3.36Å; E702-F709 WeakPolarHBondContact OE1-CE1 3.48Å; E702-F709 WeakPolarHBondContact OE2-CE1 3.41Å
703	D	54.4	Low	82.6	Confident	122 Å²	122	45 Å²	45	65%	0.652	24%	0.239	S	C	*	.			trans	-82.6	108.2	-179.1	-74.9	-32.5	0	0	0	111.5	V701	V701-D703 VanDerWaalsContact CG1-OD1 3.24Å; V701-D703 WeakPolarHBondContact CG1-OD1 3.43Å; V701-D703 PolarHBondContact O-N 3.16Å
704	G	54.2	Low	82.5	Confident	35 Å²	35	43.6 Å²	43.6	36%	0.361	23%	0.228	S	C	.	.	S	Bend	trans	94.6	176.6	167.3	0	0	0	0	0	116.4	E702 R706 S707 R723	E702-G704 PolarHBondContact O-N 3.32Å; G704-R706 VanDerWaalsContact C-N 3.28Å; G704-R706 PolarHBondContact O-N 3.09Å; G704-S707 PolarHBondContact O-OG 3.36Å; G704-R723 PolarHBondContact O-NH2 2.96Å
705	P	48.7	Very low	82.3	Confident	115 Å²	115	46.6 Å²	46.6	75%	0.747	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-7	-174.3	27.3	-32.7	0	0	0	114.9
706	R	54.7	Low	82	Confident	246 Å²	246	57.9 Å²	57.9	93%	0.928	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.8	9.3	178.5	-68.4	-174.1	177.6	178.6	-0.2	113.8	G704 A708	G704-R706 VanDerWaalsContact C-N 3.28Å; G704-R706 PolarHBondContact O-N 3.09Å; R706-A708 PolarHBondContact O-N 3.48Å
707	S	71	Confident	81.9	Confident	18 Å²	18	62.5 Å²	62.5	13%	0.126	31%	0.306	C	S	.	.			trans	-71.9	126.8	-179.1	62.1	0	0	0	0	111.3	G704	G704-S707 PolarHBondContact O-OG 3.36Å
708	A	84.3	Confident	81.9	Confident	14 Å²	14	66.5 Å²	66.5	12%	0.116	33%	0.325	C	S	.	.			trans	-83.5	151.4	170.3	0	0	0	0	0	110.5	W699 R706 V720	W699-A708 HydrophobicContact CE3-CB 4.16Å; W699-A708 HydrophobicContact CH2-CB 3.97Å; W699-A708 HydrophobicContact CZ3-CB 3.46Å; W699-A708 VanDerWaalsContact CZ3-CB 3.46Å; R706-A708 PolarHBondContact O-N 3.48Å; A708-V720 HydrophobicContact CB-CG1 3.61Å
709	F	89.9	Confident	82	Confident	7 Å²	7	66.5 Å²	66.5	3%	0.031	33%	0.325	C	S	.	.	S	Bend	trans	-76.1	-47.4	171.5	-65.6	-64.1	0	0	0	111.1	V526 A527 F536 R538 E702 F721 D722 A726	V526-F709 HydrophobicContact CG1-CE1 4.27Å; V526-F709 HydrophobicContact CG1-CZ 4.49Å; A527-F709 HydrophobicContact CB-CD2 4.05Å; A527-F709 HydrophobicContact CB-CE2 3.9Å; A527-F709 HydrophobicContact CB-CZ 4.31Å; F536-F709 HydrophobicContact CD1-CB 4.47Å; F536-F709 HydrophobicContact CE1-CB 3.43Å; F536-F709 VanDerWaalsContact CE1-CB 3.43Å; F536-F709 HydrophobicContact CE1-CD2 4.18Å; F536-F709 AromaticContact CE1-CG 3.99Å; F536-F709 HydrophobicContact CE1-CG 3.99Å; F536-F709 HydrophobicContact CZ-CB 3.68Å; F536-F709 HydrophobicContact CZ-CG 4.48Å; R538-F709 PolarHBondContact NH2-O 2.92Å; R538-F709 VanDerWaalsContact NH2-O 3.08Å; E702-F709 VanDerWaalsContact CD-CE1 3.42Å; E702-F709 HydrophobicContact CG-CD1 4.45Å; E702-F709 WeakPolarHBondContact OE1-CD1 3.36Å; E702-F709 WeakPolarHBondContact OE1-CE1 3.48Å; E702-F709 WeakPolarHBondContact OE2-CE1 3.41Å; F709-F721 WeakPolarHBondContact CB-O 3.24Å; F709-F721 PolarHBondContact N-O 3.04Å; F709-D722 WeakPolarHBondContact CD2-O 3.2Å; F709-D722 WeakPolarHBondContact CE2-O 3.27Å; F709-A726 HydrophobicContact CE2-CB 3.9Å; F709-A726 HydrophobicContact CZ-CB 3.81Å
710	V	94.4	Very high	82.2	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	145.3	177.3	63.4	0	0	0	0	110.2	F536 V559 V696 Y697 L698 V712 F721	F536-V710 HydrophobicContact CB-CG1 4.12Å; F536-V710 HydrophobicContact CD1-CG1 3.78Å; F536-V710 HydrophobicContact CD2-CB 4.31Å; F536-V710 HydrophobicContact CD2-CG1 3.36Å; F536-V710 HydrophobicContact CE1-CG1 3.95Å; F536-V710 HydrophobicContact CE2-CB 4.07Å; F536-V710 HydrophobicContact CE2-CG1 3.53Å; F536-V710 HydrophobicContact CG-CG1 3.45Å; F536-V710 VanDerWaalsContact CG-CG1 3.45Å; F536-V710 HydrophobicContact CZ-CB 4.32Å; F536-V710 HydrophobicContact CZ-CG1 3.81Å; V559-V710 HydrophobicContact CG2-CG2 4.36Å; V696-V710 HydrophobicContact CG1-CG2 3.46Å; V696-V710 VanDerWaalsContact CG1-CG2 3.46Å; Y697-V710 CarbonylContact O-C 3.54Å; Y697-V710 VanDerWaalsContact O-CA 3.3Å; Y697-V710 WeakPolarHBondContact O-CA 3.39Å; Y697-V710 WeakPolarHBondContact O-CG2 3.49Å; L698-V710 HydrophobicContact CD1-CG2 4.46Å; L698-V710 HydrophobicContact CG-CB 4.36Å; L698-V710 HydrophobicContact CG-CG2 3.93Å; V710-V712 HydrophobicContact CG2-CG2 4.24Å; V710-F721 HydrophobicContact CG1-CB 3.77Å; V710-F721 HydrophobicContact CG1-CD2 3.63Å; V710-F721 HydrophobicContact CG1-CG 4Å; V710-F721 PolarHBondContact N-O 3.06Å; V710-F721 PolarHBondContact O-N 3.48Å
711	Q	96.1	Very high	82.7	Confident	36 Å²	36	65.4 Å²	65.4	17%	0.168	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	131.2	167.5	171.6	-175.3	-65	0	0	108.8	V696 Y697 W699 K718 I719 V720	V696-Q711 CarbonylContact C-O 3.41Å; V696-Q711 WeakPolarHBondContact CA-O 3.21Å; Y697-Q711 HydrophobicContact CD2-CB 4.27Å; Y697-Q711 HydrophobicContact CD2-CG 4.1Å; Y697-Q711 PolarHBondContact N-O 2.8Å; Y697-Q711 PolarHBondContact O-N 3.04Å; W699-Q711 HydrophobicContact CH2-CB 3.67Å; W699-Q711 HydrophobicContact CZ3-CB 4.13Å; Q711-K718 HydrophobicContact CG-CG 4.34Å; Q711-I719 CarbonylContact C-O 3.56Å; Q711-I719 WeakPolarHBondContact CA-O 3.48Å; Q711-V720 HydrophobicContact CB-CG2 4.48Å; Q711-V720 HydrophobicContact CG-CG2 4.16Å
712	V	97.9	Very high	83.6	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	130.8	175.4	-178.4	0	0	0	0	108.3	V534 V559 L561 A695 V696 V710 I719 F721	V534-V712 HydrophobicContact CG1-CG2 4.21Å; V559-V712 HydrophobicContact CG1-CG2 3.76Å; L561-V712 HydrophobicContact CD2-CG1 3.64Å; L561-V712 HydrophobicContact CD2-CG2 4.4Å; A695-V712 CarbonylContact O-C 3.6Å; A695-V712 WeakPolarHBondContact O-CA 3.39Å; V696-V712 HydrophobicContact CG1-CG2 4.26Å; V696-V712 HydrophobicContact CG2-CG1 4.49Å; V696-V712 HydrophobicContact CG2-CG2 4.37Å; V710-V712 HydrophobicContact CG2-CG2 4.24Å; V712-I719 HydrophobicContact CB-CB 4.35Å; V712-I719 PolarHBondContact N-O 2.69Å; V712-I719 PolarHBondContact O-N 3.02Å; V712-F721 HydrophobicContact CG2-CE2 4.39Å
713	V	97.4	Very high	84.4	Confident	38 Å²	38	68.7 Å²	68.7	23%	0.23	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	108.2	167.7	-178	0	0	0	0	106.6	Y694 A695 Y697 Q717	Y694-V713 CarbonylContact C-O 3.26Å; Y694-V713 VanDerWaalsContact CA-O 3.31Å; Y694-V713 WeakPolarHBondContact CA-O 3.38Å; A695-V713 HydrophobicContact CB-CB 4.28Å; A695-V713 PolarHBondContact N-O 3.33Å; A695-V713 PolarHBondContact O-N 2.75Å; Y697-V713 HydrophobicContact CE2-CG2 3.99Å; V713-Q717 CarbonylContact C-O 3.59Å; V713-Q717 WeakPolarHBondContact CA-O 3.42Å
714	A	95.6	Very high	85.8	Confident	15 Å²	15	66.6 Å²	66.6	12%	0.124	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	108.3	173.7	0	0	0	0	0	107.8	Y694 R716 Q717	Y694-A714 HydrophobicContact CD1-CB 3.78Å; Y694-A714 HydrophobicContact CE1-CB 3.8Å; A714-R716 PolarHBondContact O-N 3.4Å; A714-Q717 PolarHBondContact N-O 3.46Å; A714-Q717 WeakPolarHBondContact O-CB 3.24Å; A714-Q717 PolarHBondContact O-N 3.06Å
715	D	93.9	Very high	87.2	Confident	80 Å²	80	65.2 Å²	65.2	43%	0.428	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	53	-97.8	-169.9	-54.4	-42.8	0	0	0	112.4	H692 A693	H692-D715 WeakPolarHBondContact CA-OD1 3.33Å; H692-D715 IonicContact CE1-OD2 3.88Å; H692-D715 IonicContact CG-OD2 3.15Å; H692-D715 IonicContact ND1-OD1 3.81Å; H692-D715 IonicContact ND1-OD2 3.31Å; H692-D715 PolarHBondContact ND1-OD2 2.92Å; A693-D715 PolarHBondContact N-OD1 3.3Å; A693-D715 PolarHBondContact O-N 3.41Å
716	R	91.4	Very high	89.1	Confident	248 Å²	248	61.4 Å²	61.4	94%	0.936	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-7.1	177.4	-61.2	-175.6	-178.5	-175	1	113.1	A714	A714-R716 PolarHBondContact O-N 3.4Å
717	Q	95.3	Very high	90.9	Very high	97 Å²	97	51.5 Å²	51.5	45%	0.453	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	118.9	-175.7	-170.1	176.3	13.3	0	0	110.7	S532 V713 A714 I719	S532-Q717 PolarHBondContact OG-NE2 2.97Å; S532-Q717 VanDerWaalsContact OG-NE2 3.17Å; V713-Q717 CarbonylContact C-O 3.59Å; V713-Q717 WeakPolarHBondContact CA-O 3.42Å; A714-Q717 PolarHBondContact N-O 3.46Å; A714-Q717 WeakPolarHBondContact O-CB 3.24Å; A714-Q717 PolarHBondContact O-N 3.06Å; Q717-I719 HydrophobicContact CG-CD1 4.47Å; Q717-I719 HydrophobicContact CG-CG1 4.05Å
718	K	96.4	Very high	91.5	Very high	135 Å²	135	61.6 Å²	61.6	59%	0.587	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	122.3	172.3	-176	179.2	178.1	164.2	0	110.4	Q711 V720	Q711-K718 HydrophobicContact CG-CG 4.34Å; K718-V720 HydrophobicContact CD-CG2 4.46Å; K718-V720 HydrophobicContact CG-CG2 4.18Å
719	I	96.7	Very high	91.1	Very high	4 Å²	4	66.3 Å²	66.3	2%	0.021	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	124.6	179.2	-53.7	169.3	0	0	0	107.3	R531 V534 Q711 V712 Q717 F721	R531-I719 HydrophobicContact CB-CG2 3.99Å; R531-I719 HydrophobicContact CG-CG2 4.07Å; V534-I719 HydrophobicContact CB-CD1 4.12Å; V534-I719 HydrophobicContact CG2-CD1 3.55Å; Q711-I719 CarbonylContact C-O 3.56Å; Q711-I719 WeakPolarHBondContact CA-O 3.48Å; V712-I719 HydrophobicContact CB-CB 4.35Å; V712-I719 PolarHBondContact N-O 2.69Å; V712-I719 PolarHBondContact O-N 3.02Å; Q717-I719 HydrophobicContact CG-CD1 4.47Å; Q717-I719 HydrophobicContact CG-CG1 4.05Å; I719-F721 HydrophobicContact CG2-CD2 4.28Å; I719-F721 HydrophobicContact CG2-CE2 3.56Å; I719-F721 HydrophobicContact CG2-CZ 3.83Å
720	V	94.8	Very high	90.5	Very high	37 Å²	37	69.7 Å²	69.7	22%	0.224	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	130.2	-177.6	-178.8	0	0	0	0	109	R531 A708 Q711 K718 D722	R531-V720 PolarHBondContact NH1-O 3.15Å; R531-V720 PolarHBondContact NH2-O 2.87Å; A708-V720 HydrophobicContact CB-CG1 3.61Å; Q711-V720 HydrophobicContact CB-CG2 4.48Å; Q711-V720 HydrophobicContact CG-CG2 4.16Å; K718-V720 HydrophobicContact CD-CG2 4.46Å; K718-V720 HydrophobicContact CG-CG2 4.18Å; V720-D722 HydrophobicContact CG1-CB 4.49Å
721	F	93.9	Very high	90	Very high	0 Å²	0	73.3 Å²	73.3	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	106.7	172.3	-62.6	-90.8	0	0	0	107.8	M529 R531 V534 F536 F709 V710 V712 I719	M529-F721 HydrophobicContact CB-CD1 4Å; M529-F721 HydrophobicContact CB-CE1 4.15Å; M529-F721 HydrophobicContact CG-CD1 4.2Å; M529-F721 HydrophobicContact CG-CE1 4.17Å; M529-F721 WeakPolarHBondContact O-CE1 3.17Å; M529-F721 HydrophobicContact SD-CD1 4.27Å; R531-F721 HydrophobicContact CB-CE1 3.77Å; R531-F721 HydrophobicContact CB-CZ 3.93Å; V534-F721 HydrophobicContact CB-CZ 4.21Å; V534-F721 HydrophobicContact CG1-CE2 3.9Å; V534-F721 HydrophobicContact CG1-CZ 3.91Å; F536-F721 HydrophobicContact CB-CB 4.4Å; F536-F721 HydrophobicContact CB-CD1 3.66Å; F536-F721 HydrophobicContact CB-CD2 3.92Å; F536-F721 HydrophobicContact CB-CE1 3.76Å; F536-F721 HydrophobicContact CB-CE2 4Å; F536-F721 HydrophobicContact CB-CG 3.72Å; F536-F721 HydrophobicContact CB-CZ 3.92Å; F536-F721 HydrophobicContact CD1-CB 3.72Å; F536-F721 HydrophobicContact CD1-CD1 4.25Å; F536-F721 AromaticContact CD1-CG 4Å; F536-F721 HydrophobicContact CD1-CG 4Å; F536-F721 HydrophobicContact CE1-CB 4.35Å; F536-F721 HydrophobicContact CG-CB 4.27Å; F536-F721 HydrophobicContact CG-CD1 4.38Å; F536-F721 HydrophobicContact CG-CD2 4.44Å; F536-F721 HydrophobicContact CG-CG 4.12Å; F709-F721 WeakPolarHBondContact CB-O 3.24Å; F709-F721 PolarHBondContact N-O 3.04Å; V710-F721 HydrophobicContact CG1-CB 3.77Å; V710-F721 HydrophobicContact CG1-CD2 3.63Å; V710-F721 HydrophobicContact CG1-CG 4Å; V710-F721 PolarHBondContact N-O 3.06Å; V710-F721 PolarHBondContact O-N 3.48Å; V712-F721 HydrophobicContact CG2-CE2 4.39Å; I719-F721 HydrophobicContact CG2-CD2 4.28Å; I719-F721 HydrophobicContact CG2-CE2 3.56Å; I719-F721 HydrophobicContact CG2-CZ 3.83Å
722	D	89.8	Confident	89.8	Confident	60 Å²	60	73.1 Å²	73.1	32%	0.321	38%	0.378	S	S	.	.			trans	-110.8	-163.1	-177.2	61.2	22.5	0	0	0	111	F709 V720 A724 S725	F709-D722 WeakPolarHBondContact CD2-O 3.2Å; F709-D722 WeakPolarHBondContact CE2-O 3.27Å; V720-D722 HydrophobicContact CG1-CB 4.49Å; D722-A724 PolarHBondContact O-N 3.05Å; D722-A724 WeakPolarHBondContact OD1-CB 3.45Å; D722-A724 PolarHBondContact OD1-N 3.08Å; D722-S725 VanDerWaalsContact O-CB 3.3Å; D722-S725 WeakPolarHBondContact O-CB 3.23Å; D722-S725 PolarHBondContact O-N 3.43Å; D722-S725 PolarHBondContact O-OG 2.88Å
723	R	82.3	Confident	89.6	Confident	135 Å²	135	78 Å²	78	51%	0.509	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-56.5	-17.2	177.4	-70.8	-170.1	179.1	-160	0.1	114.4	G704 S725 A726	G704-R723 PolarHBondContact O-NH2 2.96Å; R723-S725 PolarHBondContact O-N 3.07Å; R723-A726 WeakPolarHBondContact O-CB 3.44Å; R723-A726 PolarHBondContact O-N 3.33Å; R723-A726 VanDerWaalsContact O-N 3.12Å
724	A	82.9	Confident	89.6	Confident	79 Å²	79	79.7 Å²	79.7	65%	0.653	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-65.3	-26	171.8	0	0	0	0	0	112.2	D722 A726	D722-A724 PolarHBondContact O-N 3.05Å; D722-A724 WeakPolarHBondContact OD1-CB 3.45Å; D722-A724 PolarHBondContact OD1-N 3.08Å; A724-A726 VanDerWaalsContact C-N 3.26Å
725	S	83.4	Confident	89.7	Confident	5 Å²	5	79.9 Å²	79.9	4%	0.035	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-78.8	-9.3	174	-47.4	0	0	0	0	113.1	A527 A528 M529 D722 R723	A527-S725 WeakPolarHBondContact CA-O 3.16Å; A527-S725 VanDerWaalsContact CB-O 3.3Å; A527-S725 WeakPolarHBondContact CB-O 3.42Å; A528-S725 PolarHBondContact N-O 3.32Å; M529-S725 PolarHBondContact SD-OG 3.37Å; D722-S725 VanDerWaalsContact O-CB 3.3Å; D722-S725 WeakPolarHBondContact O-CB 3.23Å; D722-S725 PolarHBondContact O-N 3.43Å; D722-S725 PolarHBondContact O-OG 2.88Å; R723-S725 PolarHBondContact O-N 3.07Å
726	A	89.8	Confident	89.8	Confident	36 Å²	36	84.3 Å²	84.3	30%	0.298	43%	0.43	S	S	.	.	B	Isolated β-bridge	trans	-72.6	132.9	-175.2	0	0	0	0	0	111.2	V526 F709 R723 A724	V526-A726 WeakPolarHBondContact O-CA 3.4Å; F709-A726 HydrophobicContact CE2-CB 3.9Å; F709-A726 HydrophobicContact CZ-CB 3.81Å; R723-A726 WeakPolarHBondContact O-CB 3.44Å; R723-A726 PolarHBondContact O-N 3.33Å; R723-A726 VanDerWaalsContact O-N 3.12Å; A724-A726 VanDerWaalsContact C-N 3.26Å
727	I	90.9	Very high	90	Very high	38 Å²	38	77 Å²	77	20%	0.195	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-80.9	129.2	175.2	-61.4	-177.3	0	0	0	108.8	Y393 V525 V526 A528	Y393-I727 HydrophobicContact CD1-CD1 3.73Å; Y393-I727 HydrophobicContact CD1-CG2 4.2Å; Y393-I727 HydrophobicContact CD2-CD1 4.18Å; Y393-I727 HydrophobicContact CE1-CD1 3.63Å; Y393-I727 HydrophobicContact CE1-CG1 4.42Å; Y393-I727 HydrophobicContact CE1-CG2 3.46Å; Y393-I727 VanDerWaalsContact CE1-CG2 3.46Å; Y393-I727 HydrophobicContact CE2-CD1 4.11Å; Y393-I727 HydrophobicContact CG-CD1 3.99Å; V525-I727 HydrophobicContact CB-CD1 3.82Å; V525-I727 HydrophobicContact CG1-CD1 3.36Å; V526-I727 PolarHBondContact O-N 3.04Å; A528-I727 HydrophobicContact CB-CD1 3.98Å
728	R	84.6	Confident	90.2	Very high	229 Å²	229	73.1 Å²	73.1	86%	0.864	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-99.4	126.9	174	-62.5	-176.1	-175.8	-174.5	1.7	109.2
729	T	76.2	Confident	90.2	Very high	114 Å²	114	69.1 Å²	69.1	70%	0.699	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-82.8	124.1	171.5	25.1	0	0	0	0	110.3
730	S	76.6	Confident	90.2	Very high	77 Å²	77	69.6 Å²	69.6	54%	0.538	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-103.4	132.8	169.4	53.4	0	0	0	0	110.1
731	A	83.6	Confident	90.4	Very high	76 Å²	76	69.2 Å²	69.2	63%	0.628	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-71.3	129.7	170.6	0	0	0	0	0	109.9
732	V	92.6	Very high	90.5	Very high	32 Å²	32	69.5 Å²	69.5	19%	0.194	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-88.4	124.5	171.9	-176.6	0	0	0	0	108.3	E249 T251 K435	E249-V732 HydrophobicContact CB-CG1 4.26Å; E249-V732 HydrophobicContact CG-CG1 4.14Å; T251-V732 HydrophobicContact CG2-CG2 4.07Å; K435-V732 PolarHBondContact NZ-O 3.25Å
733	P	94.1	Very high	90.8	Very high	102 Å²	102	71.5 Å²	71.5	66%	0.662	39%	0.389	S	S	*	.	P	Polyproline II helix	trans	-67.4	157.3	178.7	29.1	-34.8	0	0	0	111.2	K435	K435-P733 PolarHBondContact NZ-O 2.73Å
734	E	97	Very high	91.5	Very high	74 Å²	74	70.2 Å²	70.2	35%	0.346	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-62.6	142.4	169.1	-168.5	177.3	87.4	0	0	110.3	K435 Y436 K736 Y738	K435-E734 VanDerWaalsContact CA-OE2 3.23Å; K435-E734 WeakPolarHBondContact CA-OE2 3.38Å; K435-E734 WeakPolarHBondContact CB-OE2 3.34Å; Y436-E734 HydrophobicContact CD1-CG 4.05Å; Y436-E734 HydrophobicContact CD2-CG 4.38Å; Y436-E734 HydrophobicContact CE1-CG 3.69Å; Y436-E734 HydrophobicContact CE2-CG 4.04Å; Y436-E734 HydrophobicContact CG-CG 4.36Å; Y436-E734 PolarHBondContact N-OE2 3.17Å; E734-K736 PolarHBondContact O-N 3.41Å; E734-Y738 HydrophobicContact CG-CD1 4.32Å; E734-Y738 HydrophobicContact CG-CE1 4.45Å; E734-Y738 VanDerWaalsContact OE1-CE1 3.27Å; E734-Y738 WeakPolarHBondContact OE1-CE1 3.34Å
735	V	97.3	Very high	92.1	Very high	20 Å²	20	67.3 Å²	67.3	12%	0.121	36%	0.358	C	S	.	.	P	Polyproline II helix	trans	-62.8	124.3	175	176	0	0	0	0	109.2	V245 Q248 Y436 Y738 I741	V245-V735 HydrophobicContact CG1-CB 4.02Å; V245-V735 HydrophobicContact CG1-CG1 4.03Å; V245-V735 HydrophobicContact CG1-CG2 4.27Å; Q248-V735 HydrophobicContact CB-CG2 3.88Å; Q248-V735 HydrophobicContact CG-CG2 4.45Å; Y436-V735 HydrophobicContact CE1-CB 4.18Å; Y436-V735 VanDerWaalsContact OH-CG2 3.28Å; Y436-V735 WeakPolarHBondContact OH-CG2 3.41Å; Y436-V735 PolarHBondContact OH-N 3.31Å; V735-Y738 WeakPolarHBondContact O-CD1 3.1Å; V735-I741 HydrophobicContact CG1-CD1 3.68Å
736	K	96.1	Very high	92.5	Very high	172 Å²	172	67.8 Å²	67.8	75%	0.748	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	141.3	-179.7	-65.1	-179.3	179.6	178.2	0	110.9	E734 Y738	E734-K736 PolarHBondContact O-N 3.41Å; K736-Y738 PolarHBondContact O-N 3.12Å
737	D	96.6	Very high	92.7	Very high	94 Å²	94	71.3 Å²	71.3	50%	0.503	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	36.8	178.4	-172.9	41.2	0	0	0	113	V739 G740 I741 R744	D737-V739 PolarHBondContact O-N 2.96Å; D737-G740 PolarHBondContact O-N 3.37Å; D737-G740 WeakPolarHBondContact OD1-CA 3.41Å; D737-G740 PolarHBondContact OD1-N 3.01Å; D737-I741 WeakPolarHBondContact O-CG1 3.45Å; D737-I741 PolarHBondContact O-N 3.05Å; D737-R744 IonicContact OD2-CZ 3.35Å; D737-R744 IonicContact OD2-NH1 2.77Å; D737-R744 PolarHBondContact OD2-NH1 3.06Å; D737-R744 IonicContact OD2-NH2 2.96Å; D737-R744 PolarHBondContact OD2-NH2 2.96Å
738	Y	97.9	Very high	92.9	Very high	16 Å²	16	72.5 Å²	72.5	6%	0.063	38%	0.375	C	S	.	.	H	α-helix	trans	-57.1	-34.9	-176	61.9	-94.6	0	0	0	113.2	Y436 K437 E438 W439 E734 V735 K736 V742	Y436-Y738 AromaticContact CD1-CD1 3.86Å; Y436-Y738 HydrophobicContact CD1-CD1 3.86Å; Y436-Y738 AromaticContact CD1-CD2 3.68Å; Y436-Y738 HydrophobicContact CD1-CD2 3.68Å; Y436-Y738 HydrophobicContact CD1-CE1 4.18Å; Y436-Y738 AromaticContact CD1-CE2 3.97Å; Y436-Y738 HydrophobicContact CD1-CE2 3.97Å; Y436-Y738 AromaticContact CD1-CG 3.59Å; Y436-Y738 HydrophobicContact CD1-CG 3.59Å; Y436-Y738 HydrophobicContact CE1-CD1 4.1Å; Y436-Y738 HydrophobicContact CE1-CD2 4.37Å; Y436-Y738 AromaticContact CE1-CG 3.87Å; Y436-Y738 HydrophobicContact CE1-CG 3.87Å; K437-Y738 PolarHBondContact N-OH 2.8Å; E438-Y738 HydrophobicContact CB-CE2 4.26Å; E438-Y738 PolarHBondContact OE1-OH 3.3Å; E438-Y738 PolarHBondContact OE2-OH 2.99Å; W439-Y738 HydrophobicContact CD2-CD2 4.1Å; W439-Y738 HydrophobicContact CD2-CE2 4.13Å; W439-Y738 AromaticContact CE2-CD2 3.77Å; W439-Y738 AromaticContact CE2-CE2 3.96Å; W439-Y738 HydrophobicContact CE3-CD2 4.11Å; W439-Y738 HydrophobicContact CE3-CE2 4.44Å; W439-Y738 AromaticContact CH2-CD2 3.57Å; W439-Y738 HydrophobicContact CH2-CD2 3.57Å; W439-Y738 HydrophobicContact CH2-CE2 4.5Å; W439-Y738 HydrophobicContact CH2-CG 4.34Å; W439-Y738 WeakPolarHBondContact CH2-O 3.48Å; W439-Y738 AromaticContact CZ2-CD2 3.53Å; W439-Y738 HydrophobicContact CZ2-CD2 3.53Å; W439-Y738 HydrophobicContact CZ2-CE2 4.18Å; W439-Y738 AromaticContact CZ3-CD2 3.85Å; W439-Y738 HydrophobicContact CZ3-CD2 3.85Å; E734-Y738 HydrophobicContact CG-CD1 4.32Å; E734-Y738 HydrophobicContact CG-CE1 4.45Å; E734-Y738 VanDerWaalsContact OE1-CE1 3.27Å; E734-Y738 WeakPolarHBondContact OE1-CE1 3.34Å; V735-Y738 WeakPolarHBondContact O-CD1 3.1Å; K736-Y738 PolarHBondContact O-N 3.12Å; Y738-V742 PolarHBondContact O-N 2.87Å
739	V	97.7	Very high	93.3	Very high	52 Å²	52	61.7 Å²	61.7	32%	0.315	33%	0.334	S	S	.	.	H	α-helix	trans	-66.6	-46.8	173	-178.8	0	0	0	0	111.2	E438 W439 D737 I741 V742 E743	E438-V739 HydrophobicContact CB-CG2 4.36Å; E438-V739 HydrophobicContact CG-CG2 4.29Å; W439-V739 HydrophobicContact CZ2-CG2 4.38Å; D737-V739 PolarHBondContact O-N 2.96Å; V739-I741 VanDerWaalsContact C-N 3.29Å; V739-I741 PolarHBondContact O-N 2.6Å; V739-V742 PolarHBondContact O-N 2.87Å; V739-E743 HydrophobicContact CG1-CG 4.36Å; V739-E743 WeakPolarHBondContact O-CG 3.44Å; V739-E743 PolarHBondContact O-N 2.79Å
740	G	97.2	Very high	94.1	Very high	14 Å²	14	57.9 Å²	57.9	14%	0.144	31%	0.308	C	S	.	.	H	α-helix	trans	-63.7	-32.8	179.2	0	0	0	0	0	113.2	D737 R744	D737-G740 PolarHBondContact O-N 3.37Å; D737-G740 WeakPolarHBondContact OD1-CA 3.41Å; D737-G740 PolarHBondContact OD1-N 3.01Å; G740-R744 VanDerWaalsContact C-CZ 3.45Å; G740-R744 WeakPolarHBondContact O-CB 3.31Å; G740-R744 VanDerWaalsContact O-CG 3.3Å; G740-R744 WeakPolarHBondContact O-CG 3.48Å; G740-R744 VanDerWaalsContact O-CZ 3.27Å; G740-R744 PolarHBondContact O-N 3.31Å; G740-R744 PolarHBondContact O-NE 3Å; G740-R744 PolarHBondContact O-NH1 3.01Å
741	I	97.2	Very high	94.9	Very high	28 Å²	28	57.7 Å²	57.7	14%	0.144	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-52.8	173.3	-67.5	169.7	0	0	0	110.4	V245 V735 D737 V739 E743 R744 N745	V245-I741 HydrophobicContact CG2-CB 4.4Å; V245-I741 HydrophobicContact CG2-CG2 3.88Å; V735-I741 HydrophobicContact CG1-CD1 3.68Å; D737-I741 WeakPolarHBondContact O-CG1 3.45Å; D737-I741 PolarHBondContact O-N 3.05Å; V739-I741 VanDerWaalsContact C-N 3.29Å; V739-I741 PolarHBondContact O-N 2.6Å; I741-E743 PolarHBondContact O-N 2.8Å; I741-R744 PolarHBondContact O-N 2.81Å; I741-N745 PolarHBondContact O-N 2.69Å; I741-N745 VanDerWaalsContact O-N 3.14Å
742	V	97.3	Very high	95.4	Very high	6 Å²	6	54.2 Å²	54.2	4%	0.036	28%	0.276	C	S	.	.	H	α-helix	trans	-63.6	-44.5	-179.4	175.9	0	0	0	0	111.2	E241 K242 V245 W439 Y738 V739 R744 N745 L746	E241-V742 HydrophobicContact CB-CB 4.42Å; E241-V742 HydrophobicContact CB-CG1 3.97Å; E241-V742 HydrophobicContact CB-CG2 4.03Å; K242-V742 HydrophobicContact CG-CG2 4.17Å; V245-V742 HydrophobicContact CG2-CG2 4.17Å; W439-V742 HydrophobicContact CH2-CG2 3.51Å; W439-V742 HydrophobicContact CZ2-CB 4.34Å; W439-V742 HydrophobicContact CZ2-CG2 3.68Å; Y738-V742 PolarHBondContact O-N 2.87Å; V739-V742 PolarHBondContact O-N 2.87Å; V742-R744 VanDerWaalsContact C-N 3.31Å; V742-R744 PolarHBondContact O-N 2.82Å; V742-N745 PolarHBondContact O-N 2.73Å; V742-L746 HydrophobicContact CG1-CD1 3.98Å; V742-L746 HydrophobicContact CG1-CG 4.34Å; V742-L746 WeakPolarHBondContact O-CG 3.22Å; V742-L746 PolarHBondContact O-N 2.83Å
743	E	95.3	Very high	95.4	Very high	102 Å²	102	52.7 Å²	52.7	48%	0.477	27%	0.267	S	S	.	.	H	α-helix	trans	-63.1	-35.8	179.7	-73.6	-63.6	162.8	0	0	112.8	V739 I741 Q747	V739-E743 HydrophobicContact CG1-CG 4.36Å; V739-E743 WeakPolarHBondContact O-CG 3.44Å; V739-E743 PolarHBondContact O-N 2.79Å; I741-E743 PolarHBondContact O-N 2.8Å; E743-Q747 WeakPolarHBondContact O-CG 3.27Å; E743-Q747 PolarHBondContact O-N 3.07Å; E743-Q747 PolarHBondContact O-NE2 2.84Å
744	R	96.7	Very high	95.1	Very high	108 Å²	108	50.5 Å²	50.5	41%	0.408	25%	0.247	S	C	.	.	H	α-helix	trans	-63.9	-50.9	173.5	-78.1	-175.5	-66	-88.7	4.9	111.2	D737 G740 I741 V742 L746 Q747 H748	D737-R744 IonicContact OD2-CZ 3.35Å; D737-R744 IonicContact OD2-NH1 2.77Å; D737-R744 PolarHBondContact OD2-NH1 3.06Å; D737-R744 IonicContact OD2-NH2 2.96Å; D737-R744 PolarHBondContact OD2-NH2 2.96Å; G740-R744 VanDerWaalsContact C-CZ 3.45Å; G740-R744 WeakPolarHBondContact O-CB 3.31Å; G740-R744 VanDerWaalsContact O-CG 3.3Å; G740-R744 WeakPolarHBondContact O-CG 3.48Å; G740-R744 VanDerWaalsContact O-CZ 3.27Å; G740-R744 PolarHBondContact O-N 3.31Å; G740-R744 PolarHBondContact O-NE 3Å; G740-R744 PolarHBondContact O-NH1 3.01Å; I741-R744 PolarHBondContact O-N 2.81Å; V742-R744 VanDerWaalsContact C-N 3.31Å; V742-R744 PolarHBondContact O-N 2.82Å; R744-L746 VanDerWaalsContact C-N 3.25Å; R744-L746 PolarHBondContact O-N 2.98Å; R744-Q747 WeakPolarHBondContact O-CB 3.47Å; R744-Q747 PolarHBondContact O-N 2.85Å; R744-H748 PolarHBondContact O-CD2 3.29Å
745	N	95.1	Very high	94.7	Very high	18 Å²	18	50 Å²	50	10%	0.096	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-35.2	179.7	-71.6	-5.8	0	0	0	112	E241 I282 I741 V742 Q747 H748	E241-N745 HydrophobicContact CG-CB 4.25Å; E241-N745 PolarHBondContact OE2-ND2 2.81Å; I282-N745 WeakPolarHBondContact CD1-O 3.36Å; I282-N745 HydrophobicContact CG2-CB 4.21Å; I741-N745 PolarHBondContact O-N 2.69Å; I741-N745 VanDerWaalsContact O-N 3.14Å; V742-N745 PolarHBondContact O-N 2.73Å; N745-Q747 PolarHBondContact O-N 2.69Å; N745-H748 WeakPolarHBondContact O-CB 3.49Å; N745-H748 PolarHBondContact O-N 2.84Å; N745-H748 VanDerWaalsContact O-N 3.16Å
746	L	93.8	Very high	94.3	Very high	16 Å²	16	49 Å²	49	8%	0.084	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-14.8	172.9	-72.3	174.5	0	0	0	114	L237 A238 V742 R744 F749	L237-L746 HydrophobicContact CB-CD2 3.47Å; L237-L746 VanDerWaalsContact CB-CD2 3.47Å; L237-L746 HydrophobicContact CD1-CD2 4.33Å; A238-L746 HydrophobicContact CB-CD1 4.44Å; A238-L746 HydrophobicContact CB-CD2 4.46Å; V742-L746 HydrophobicContact CG1-CD1 3.98Å; V742-L746 HydrophobicContact CG1-CG 4.34Å; V742-L746 WeakPolarHBondContact O-CG 3.22Å; V742-L746 PolarHBondContact O-N 2.83Å; R744-L746 VanDerWaalsContact C-N 3.25Å; R744-L746 PolarHBondContact O-N 2.98Å; L746-F749 HydrophobicContact CD2-CE1 4.49Å; L746-F749 WeakPolarHBondContact O-CD1 3.09Å; L746-F749 WeakPolarHBondContact O-CE1 3.48Å
747	Q	93.5	Very high	93.8	Very high	110 Å²	110	42.1 Å²	42.1	51%	0.514	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-17.9	174.5	-57.8	-47.4	-56.6	0	0	113.5	E743 R744 N745 P751	E743-Q747 WeakPolarHBondContact O-CG 3.27Å; E743-Q747 PolarHBondContact O-N 3.07Å; E743-Q747 PolarHBondContact O-NE2 2.84Å; R744-Q747 WeakPolarHBondContact O-CB 3.47Å; R744-Q747 PolarHBondContact O-N 2.85Å; N745-Q747 PolarHBondContact O-N 2.69Å; Q747-P751 WeakPolarHBondContact O-CD 3.43Å
748	H	94.3	Very high	93.3	Very high	63 Å²	63	43.2 Å²	43.2	29%	0.292	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-34.2	-170.8	-81.9	-119.4	0	0	0	113.6	F280 D281 I282 R744 N745 P751	F280-H748 WeakPolarHBondContact O-CB 3.37Å; D281-H748 PolarHBondContact O-CE1 3.4Å; D281-H748 PolarHBondContact O-ND1 2.86Å; I282-H748 HydrophobicContact CD1-CB 4.09Å; I282-H748 HydrophobicContact CG1-CB 3.64Å; R744-H748 PolarHBondContact O-CD2 3.29Å; N745-H748 WeakPolarHBondContact O-CB 3.49Å; N745-H748 PolarHBondContact O-N 2.84Å; N745-H748 VanDerWaalsContact O-N 3.16Å; H748-P751 WeakPolarHBondContact O-CD 3.37Å
749	F	94.2	Very high	92.6	Very high	1 Å²	1	44.3 Å²	44.3	0%	0.004	22%	0.216	C	C	.	.	H	α-helix	trans	-76.9	-30.3	-175.8	79.7	-81.9	0	0	0	113	Y230 T233 K234 L237 F280 L746 V752 F753	Y230-F749 HydrophobicContact CD1-CE2 4.26Å; Y230-F749 HydrophobicContact CD2-CD2 4.19Å; Y230-F749 AromaticContact CD2-CE2 3.46Å; Y230-F749 HydrophobicContact CD2-CE2 3.46Å; Y230-F749 VanDerWaalsContact CD2-CE2 3.46Å; Y230-F749 HydrophobicContact CD2-CZ 4.3Å; Y230-F749 HydrophobicContact CE1-CE2 4.09Å; Y230-F749 HydrophobicContact CE1-CZ 4.03Å; Y230-F749 HydrophobicContact CE2-CD2 4.08Å; Y230-F749 AromaticContact CE2-CE2 3.27Å; Y230-F749 HydrophobicContact CE2-CE2 3.27Å; Y230-F749 AromaticContact CE2-CZ 3.77Å; Y230-F749 HydrophobicContact CE2-CZ 3.77Å; Y230-F749 AromaticContact CG-CE2 3.96Å; Y230-F749 HydrophobicContact CG-CE2 3.96Å; Y230-F749 AromaticContact CZ-CE2 3.61Å; Y230-F749 AromaticContact CZ-CZ 3.61Å; T233-F749 HydrophobicContact CG2-CB 4.23Å; T233-F749 HydrophobicContact CG2-CD2 3.72Å; T233-F749 HydrophobicContact CG2-CE2 4.25Å; T233-F749 HydrophobicContact CG2-CG 4.01Å; K234-F749 HydrophobicContact CB-CE1 4.36Å; K234-F749 HydrophobicContact CB-CE2 4.3Å; K234-F749 HydrophobicContact CB-CZ 3.69Å; K234-F749 HydrophobicContact CD-CZ 4.42Å; K234-F749 HydrophobicContact CG-CE1 4.38Å; K234-F749 HydrophobicContact CG-CZ 3.99Å; L237-F749 HydrophobicContact CD1-CB 4.04Å; L237-F749 HydrophobicContact CD1-CD1 3.57Å; L237-F749 HydrophobicContact CD1-CE1 4.25Å; L237-F749 HydrophobicContact CD1-CG 3.91Å; F280-F749 HydrophobicContact CB-CB 4.26Å; F280-F749 HydrophobicContact CD1-CB 3.54Å; F280-F749 HydrophobicContact CD2-CB 4.25Å; F280-F749 HydrophobicContact CE1-CB 3.88Å; F280-F749 HydrophobicContact CG-CB 3.76Å; F280-F749 HydrophobicContact CZ-CB 4.37Å; L746-F749 HydrophobicContact CD2-CE1 4.49Å; L746-F749 WeakPolarHBondContact O-CD1 3.09Å; L746-F749 WeakPolarHBondContact O-CE1 3.48Å; F749-V752 WeakPolarHBondContact O-CB 3.27Å; F749-V752 PolarHBondContact O-N 2.73Å; F749-V752 VanDerWaalsContact O-N 3.09Å; F749-F753 AromaticContact CD2-CD2 3.76Å; F749-F753 HydrophobicContact CD2-CD2 3.76Å; F749-F753 AromaticContact CD2-CE2 3.67Å; F749-F753 HydrophobicContact CD2-CE2 3.67Å; F749-F753 HydrophobicContact CE2-CD2 4.49Å; F749-F753 HydrophobicContact CE2-CE2 4.39Å; F749-F753 WeakPolarHBondContact O-CD2 3.35Å; F749-F753 PolarHBondContact O-N 2.88Å
750	K	92.4	Very high	91.8	Very high	34 Å²	34	42 Å²	42	15%	0.148	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-45.1	-174.5	180	175.4	-177.4	174.9	0	113.7	Y230 V752 F753 Q754 D826	Y230-K750 HydrophobicContact CE2-CB 4.21Å; Y230-K750 HydrophobicContact CE2-CG 4.16Å; K750-V752 VanDerWaalsContact C-N 3.27Å; K750-V752 PolarHBondContact O-N 3.11Å; K750-F753 PolarHBondContact O-N 2.86Å; K750-Q754 WeakPolarHBondContact O-CG 3.49Å; K750-Q754 PolarHBondContact O-N 2.71Å; K750-D826 VanDerWaalsContact CE-OD2 3.27Å; K750-D826 WeakPolarHBondContact CE-OD2 3.46Å; K750-D826 IonicContact NZ-OD1 3.93Å; K750-D826 IonicContact NZ-OD2 2.77Å; K750-D826 PolarHBondContact NZ-OD2 2.9Å
751	P	93.3	Very high	90.8	Very high	73 Å²	73	43.7 Å²	43.7	47%	0.474	21%	0.207	S	C	.	.	H	α-helix	trans	-56.5	-35.8	174	-28.2	35.3	0	0	0	114.4	Q747 H748 Q754 Q755	Q747-P751 WeakPolarHBondContact O-CD 3.43Å; H748-P751 WeakPolarHBondContact O-CD 3.37Å; P751-Q754 PolarHBondContact O-N 2.8Å; P751-Q755 WeakPolarHBondContact O-CB 3.11Å; P751-Q755 PolarHBondContact O-N 2.93Å
752	V	93.6	Very high	89.7	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.024	22%	0.222	C	C	.	.	H	α-helix	trans	-65.2	-44.7	178.8	-178.9	0	0	0	0	110.5	F35 A38 F280 F749 K750 Q755 L756	F35-V752 HydrophobicContact CE2-CG2 4.08Å; F35-V752 HydrophobicContact CZ-CG2 4Å; A38-V752 HydrophobicContact CB-CG1 3.66Å; F280-V752 HydrophobicContact CD1-CB 4.3Å; F280-V752 HydrophobicContact CD1-CG1 4.47Å; F280-V752 HydrophobicContact CD1-CG2 4.19Å; F280-V752 HydrophobicContact CE1-CG1 4.49Å; F749-V752 WeakPolarHBondContact O-CB 3.27Å; F749-V752 PolarHBondContact O-N 2.73Å; F749-V752 VanDerWaalsContact O-N 3.09Å; K750-V752 VanDerWaalsContact C-N 3.27Å; K750-V752 PolarHBondContact O-N 3.11Å; V752-Q755 PolarHBondContact O-N 2.78Å; V752-L756 PolarHBondContact O-N 2.81Å
753	F	92	Very high	88.3	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-62.5	-43.9	174.6	-83.1	-101.9	0	0	0	112.2	M221 L226 A229 Y230 T233 F280 F749 K750 Q755 L756 E757 F828	M221-F753 HydrophobicContact CB-CE1 4.36Å; M221-F753 HydrophobicContact CB-CZ 4.28Å; M221-F753 HydrophobicContact CG-CD1 4.34Å; M221-F753 HydrophobicContact CG-CE1 3.84Å; M221-F753 HydrophobicContact CG-CE2 4.24Å; M221-F753 HydrophobicContact CG-CZ 3.8Å; M221-F753 HydrophobicContact SD-CD2 3.93Å; M221-F753 HydrophobicContact SD-CE1 4.11Å; M221-F753 HydrophobicContact SD-CE2 3.4Å; M221-F753 WeakPolarHBondContact SD-CE2 3.47Å; M221-F753 HydrophobicContact SD-CG 4.49Å; M221-F753 HydrophobicContact SD-CZ 3.51Å; M221-F753 VanDerWaalsContact SD-CZ 3.51Å; L226-F753 HydrophobicContact CB-CD1 4.23Å; L226-F753 HydrophobicContact CD2-CD1 4.07Å; L226-F753 HydrophobicContact CD2-CE1 4.44Å; A229-F753 HydrophobicContact CB-CE1 3.91Å; A229-F753 HydrophobicContact CB-CZ 4.2Å; Y230-F753 VanDerWaalsContact CA-CE1 3.48Å; Y230-F753 HydrophobicContact CD2-CB 4.16Å; Y230-F753 AromaticContact CD2-CD1 3.87Å; Y230-F753 HydrophobicContact CD2-CD1 3.87Å; Y230-F753 HydrophobicContact CD2-CD2 4.24Å; Y230-F753 HydrophobicContact CD2-CE1 4.31Å; Y230-F753 AromaticContact CD2-CG 3.82Å; Y230-F753 HydrophobicContact CD2-CG 3.82Å; Y230-F753 HydrophobicContact CG-CD1 4.44Å; Y230-F753 VanDerWaalsContact N-CE1 3.31Å; T233-F753 HydrophobicContact CG2-CE2 4.31Å; F280-F753 HydrophobicContact CE1-CE2 4.04Å; F280-F753 HydrophobicContact CZ-CE2 4.34Å; F749-F753 AromaticContact CD2-CD2 3.76Å; F749-F753 HydrophobicContact CD2-CD2 3.76Å; F749-F753 AromaticContact CD2-CE2 3.67Å; F749-F753 HydrophobicContact CD2-CE2 3.67Å; F749-F753 HydrophobicContact CE2-CD2 4.49Å; F749-F753 HydrophobicContact CE2-CE2 4.39Å; F749-F753 WeakPolarHBondContact O-CD2 3.35Å; F749-F753 PolarHBondContact O-N 2.88Å; K750-F753 PolarHBondContact O-N 2.86Å; F753-Q755 VanDerWaalsContact C-N 3.29Å; F753-Q755 PolarHBondContact O-N 3.37Å; F753-L756 PolarHBondContact O-N 3.38Å; F753-E757 PolarHBondContact O-N 2.86Å; F753-F828 HydrophobicContact CB-CE1 4.02Å; F753-F828 HydrophobicContact CB-CE2 4.14Å; F753-F828 HydrophobicContact CB-CZ 3.75Å; F753-F828 AromaticContact CD1-CE1 3.98Å; F753-F828 HydrophobicContact CD1-CE1 3.98Å; F753-F828 HydrophobicContact CD1-CZ 4.3Å; F753-F828 HydrophobicContact CG-CE1 4.41Å
754	Q	88.8	Confident	86.7	Confident	55 Å²	55	45.7 Å²	45.7	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-63.5	-33.8	175.9	-70.7	179.5	-16.2	0	0	112.6	K750 P751 K758 F828	K750-Q754 WeakPolarHBondContact O-CG 3.49Å; K750-Q754 PolarHBondContact O-N 2.71Å; P751-Q754 PolarHBondContact O-N 2.8Å; Q754-K758 VanDerWaalsContact O-CG 3.25Å; Q754-K758 WeakPolarHBondContact O-CG 3.35Å; Q754-K758 PolarHBondContact O-N 2.66Å; Q754-K758 VanDerWaalsContact O-N 3.11Å; Q754-F828 HydrophobicContact CG-CD2 3.9Å; Q754-F828 HydrophobicContact CG-CE2 4.05Å
755	Q	89.6	Confident	84.6	Confident	64 Å²	64	46.2 Å²	46.2	30%	0.299	22%	0.22	S	C	.	.	H	α-helix	trans	-68.1	-44.4	175.4	-178.2	176.4	4.7	0	0	111.5	N37 P751 V752 F753 K758 Q759	N37-Q755 PolarHBondContact OD1-OE1 2.65Å; P751-Q755 WeakPolarHBondContact O-CB 3.11Å; P751-Q755 PolarHBondContact O-N 2.93Å; V752-Q755 PolarHBondContact O-N 2.78Å; F753-Q755 VanDerWaalsContact C-N 3.29Å; F753-Q755 PolarHBondContact O-N 3.37Å; Q755-K758 WeakPolarHBondContact O-CB 3.35Å; Q755-K758 PolarHBondContact O-N 2.76Å; Q755-Q759 WeakPolarHBondContact O-CG 3.28Å; Q755-Q759 PolarHBondContact O-N 2.91Å
756	L	88	Confident	82.6	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-62.2	-43.4	175.2	-76.8	173.7	0	0	0	111.8	A38 M221 L226 V752 F753 K758 Q759 I760	A38-L756 HydrophobicContact CB-CD1 3.72Å; A38-L756 HydrophobicContact CB-CD2 3.68Å; A38-L756 HydrophobicContact CB-CG 3.64Å; M221-L756 HydrophobicContact CE-CD1 4.19Å; M221-L756 HydrophobicContact CG-CD1 3.45Å; M221-L756 VanDerWaalsContact CG-CD1 3.45Å; M221-L756 HydrophobicContact SD-CD1 4.01Å; L226-L756 HydrophobicContact CD1-CB 4.26Å; L226-L756 HydrophobicContact CD2-CB 4.09Å; L226-L756 HydrophobicContact CD2-CD1 4.12Å; V752-L756 PolarHBondContact O-N 2.81Å; F753-L756 PolarHBondContact O-N 3.38Å; L756-K758 VanDerWaalsContact C-N 3.32Å; L756-K758 PolarHBondContact O-N 2.75Å; L756-Q759 WeakPolarHBondContact O-CB 3.46Å; L756-Q759 PolarHBondContact O-N 3.31Å; L756-Q759 VanDerWaalsContact O-N 3.14Å; L756-I760 VanDerWaalsContact O-CG1 3.24Å; L756-I760 WeakPolarHBondContact O-CG1 3.38Å; L756-I760 PolarHBondContact O-N 3.01Å
757	E	86.2	Confident	80.5	Confident	26 Å²	26	54.9 Å²	54.9	12%	0.121	27%	0.269	C	S	.	.	H	α-helix	trans	-54.9	-48.9	174.5	-173.3	-168.4	-177.1	0	0	110.9	L226 F753 Q759 I760 L761 I827 F828	L226-E757 HydrophobicContact CD1-CB 3.76Å; L226-E757 HydrophobicContact CD1-CG 4.49Å; F753-E757 PolarHBondContact O-N 2.86Å; E757-Q759 PolarHBondContact O-N 3.28Å; E757-I760 PolarHBondContact O-N 2.77Å; E757-L761 HydrophobicContact CG-CD1 4.05Å; E757-L761 WeakPolarHBondContact O-CB 3.49Å; E757-L761 VanDerWaalsContact O-CG 3.31Å; E757-L761 WeakPolarHBondContact O-CG 3.17Å; E757-L761 PolarHBondContact O-N 3.13Å; E757-I827 WeakPolarHBondContact OE1-CD1 2.99Å; E757-F828 HydrophobicContact CB-CE2 4.43Å; E757-F828 WeakPolarHBondContact OE2-CE2 2.98Å
758	K	84.6	Confident	78.4	Confident	117 Å²	117	55.2 Å²	55.2	51%	0.509	29%	0.291	S	S	.	.	H	α-helix	trans	-59.4	-44	176.1	-72.2	168.1	-172	170.6	0	112.1	Q754 Q755 L756 S762	Q754-K758 VanDerWaalsContact O-CG 3.25Å; Q754-K758 WeakPolarHBondContact O-CG 3.35Å; Q754-K758 PolarHBondContact O-N 2.66Å; Q754-K758 VanDerWaalsContact O-N 3.11Å; Q755-K758 WeakPolarHBondContact O-CB 3.35Å; Q755-K758 PolarHBondContact O-N 2.76Å; L756-K758 VanDerWaalsContact C-N 3.32Å; L756-K758 PolarHBondContact O-N 2.75Å; K758-S762 WeakPolarHBondContact O-CB 3.47Å; K758-S762 PolarHBondContact O-N 3.34Å
759	Q	84.4	Confident	76.6	Confident	40 Å²	40	55 Å²	55	19%	0.187	30%	0.297	C	S	.	.	H	α-helix	trans	-61.9	-46.8	177.5	-72.8	176.5	15.4	0	0	111.4	A38 Q755 L756 E757 S762 R763	A38-Q759 PolarHBondContact O-NE2 2.85Å; A38-Q759 PolarHBondContact O-OE1 2.98Å; Q755-Q759 WeakPolarHBondContact O-CG 3.28Å; Q755-Q759 PolarHBondContact O-N 2.91Å; L756-Q759 WeakPolarHBondContact O-CB 3.46Å; L756-Q759 PolarHBondContact O-N 3.31Å; L756-Q759 VanDerWaalsContact O-N 3.14Å; E757-Q759 PolarHBondContact O-N 3.28Å; Q759-S762 PolarHBondContact O-N 3.05Å; Q759-S762 PolarHBondContact O-OG 3.45Å; Q759-R763 PolarHBondContact O-N 3.13Å; Q759-R763 VanDerWaalsContact O-N 3.11Å
760	I	80	Confident	74.7	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.01	30%	0.302	C	S	.	.	H	α-helix	trans	-63.2	-52.1	-179.7	-61.1	160.7	0	0	0	109.4	Y40 G224 L226 L756 E757 S762 R763 V764 T773 L777	Y40-I760 HydrophobicContact CD1-CG1 3.86Å; Y40-I760 HydrophobicContact CD2-CD1 3.8Å; Y40-I760 HydrophobicContact CD2-CG1 3.52Å; Y40-I760 HydrophobicContact CE1-CG1 4.18Å; Y40-I760 HydrophobicContact CE2-CD1 4.02Å; Y40-I760 HydrophobicContact CE2-CG1 3.84Å; Y40-I760 HydrophobicContact CG-CD1 4.3Å; Y40-I760 HydrophobicContact CG-CG1 3.53Å; G224-I760 VanDerWaalsContact CA-CD1 3.48Å; L226-I760 HydrophobicContact CD1-CD1 4.1Å; L226-I760 HydrophobicContact CG-CD1 4.42Å; L756-I760 VanDerWaalsContact O-CG1 3.24Å; L756-I760 WeakPolarHBondContact O-CG1 3.38Å; L756-I760 PolarHBondContact O-N 3.01Å; E757-I760 PolarHBondContact O-N 2.77Å; I760-S762 PolarHBondContact O-N 3.12Å; I760-R763 WeakPolarHBondContact O-CA 3.34Å; I760-R763 PolarHBondContact O-N 3.35Å; I760-V764 HydrophobicContact CG2-CG2 4.04Å; I760-V764 WeakPolarHBondContact O-CG2 3.47Å; I760-V764 PolarHBondContact O-N 2.78Å; I760-T773 HydrophobicContact CG2-CG2 3.75Å; I760-L777 HydrophobicContact CB-CD1 4.15Å; I760-L777 HydrophobicContact CB-CD2 4.29Å; I760-L777 HydrophobicContact CD1-CD2 3.92Å; I760-L777 HydrophobicContact CG2-CD1 3.49Å; I760-L777 VanDerWaalsContact CG2-CD1 3.49Å; I760-L777 HydrophobicContact CG2-CD2 4.11Å; I760-L777 HydrophobicContact CG2-CG 3.95Å
761	L	75.9	Confident	72.9	Confident	51 Å²	51	61 Å²	61	27%	0.267	32%	0.319	S	S	.	.	H	α-helix	trans	-55.3	-36.5	177.4	-71.2	174.9	0	0	0	112.4	E757 V764 R765 L777	E757-L761 HydrophobicContact CG-CD1 4.05Å; E757-L761 WeakPolarHBondContact O-CB 3.49Å; E757-L761 VanDerWaalsContact O-CG 3.31Å; E757-L761 WeakPolarHBondContact O-CG 3.17Å; E757-L761 PolarHBondContact O-N 3.13Å; L761-V764 PolarHBondContact O-N 2.91Å; L761-R765 WeakPolarHBondContact O-CG 3.18Å; L761-R765 PolarHBondContact O-N 2.65Å; L761-L777 HydrophobicContact CD2-CD1 3.78Å; L761-L777 HydrophobicContact CG-CD1 4.2Å
762	S	74.4	Confident	71.3	Confident	64 Å²	64	63 Å²	63	45%	0.448	32%	0.32	S	S	.	.	H	α-helix	trans	-66.3	-36.9	175.1	81.1	0	0	0	0	113.3	K758 Q759 I760	K758-S762 WeakPolarHBondContact O-CB 3.47Å; K758-S762 PolarHBondContact O-N 3.34Å; Q759-S762 PolarHBondContact O-N 3.05Å; Q759-S762 PolarHBondContact O-OG 3.45Å; I760-S762 PolarHBondContact O-N 3.12Å
763	R	68.9	Low	69.5	Low	109 Å²	109	63.8 Å²	63.8	41%	0.411	33%	0.325	S	S	.	.	H	α-helix	trans	-74.5	-34.1	175.2	-67	-169.6	-171.6	169	7.9	112.3	N39 Y40 Q759 I760 R765 N766	N39-R763 PolarHBondContact OD1-NH2 2.87Å; Y40-R763 VanDerWaalsContact CD1-NH1 3.27Å; Y40-R763 PolarHBondContact O-NH1 3.06Å; Y40-R763 PolarHBondContact O-NH2 3.42Å; Q759-R763 PolarHBondContact O-N 3.13Å; Q759-R763 VanDerWaalsContact O-N 3.11Å; I760-R763 WeakPolarHBondContact O-CA 3.34Å; I760-R763 PolarHBondContact O-N 3.35Å; R763-R765 VanDerWaalsContact C-N 3.28Å; R763-R765 PolarHBondContact O-N 3.36Å; R763-N766 PolarHBondContact O-N 2.97Å; R763-N766 VanDerWaalsContact O-N 3.13Å
764	V	61.4	Low	67.8	Low	5 Å²	5	64.1 Å²	64.1	3%	0.03	33%	0.328	C	S	.	.	H	α-helix	trans	-64	-32.8	177.9	-164.8	0	0	0	0	111.8	I760 L761 N766 T767 F770 T773 L777	I760-V764 HydrophobicContact CG2-CG2 4.04Å; I760-V764 WeakPolarHBondContact O-CG2 3.47Å; I760-V764 PolarHBondContact O-N 2.78Å; L761-V764 PolarHBondContact O-N 2.91Å; V764-N766 PolarHBondContact O-N 2.65Å; V764-N766 VanDerWaalsContact O-N 3.1Å; V764-T767 PolarHBondContact O-N 2.79Å; V764-F770 HydrophobicContact CB-CD2 4.31Å; V764-F770 HydrophobicContact CG1-CB 4.03Å; V764-F770 HydrophobicContact CG1-CD2 3.29Å; V764-F770 HydrophobicContact CG1-CE2 3.77Å; V764-F770 HydrophobicContact CG1-CG 3.76Å; V764-T773 HydrophobicContact CG2-CG2 3.38Å; V764-L777 HydrophobicContact CG2-CD1 4.49Å
765	R	53.3	Low	66.2	Low	119 Å²	119	65.5 Å²	65.5	45%	0.449	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-17	175	-74.5	175.4	175.2	-158.2	-8.2	114.6	L761 R763 F820	L761-R765 WeakPolarHBondContact O-CG 3.18Å; L761-R765 PolarHBondContact O-N 2.65Å; R763-R765 VanDerWaalsContact C-N 3.28Å; R763-R765 PolarHBondContact O-N 3.36Å; R765-F820 VanDerWaalsContact NH2-CD2 3.34Å; R765-F820 VanDerWaalsContact NH2-CE2 3.27Å
766	N	52.3	Low	64.9	Low	137 Å²	137	66.2 Å²	66.2	73%	0.733	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.6	8.7	-172.4	-66.7	-15.6	0	0	0	114.1	R763 V764	R763-N766 PolarHBondContact O-N 2.97Å; R763-N766 VanDerWaalsContact O-N 3.13Å; V764-N766 PolarHBondContact O-N 2.65Å; V764-N766 VanDerWaalsContact O-N 3.1Å
767	T	49.2	Very low	63.3	Low	78 Å²	78	67.2 Å²	67.2	48%	0.479	34%	0.339	S	S	.	.			trans	-138.8	148.4	-176.1	45.4	0	0	0	0	114.8	V764 S769	V764-T767 PolarHBondContact O-N 2.79Å; T767-S769 PolarHBondContact O-N 3.33Å; T767-S769 VanDerWaalsContact O-N 3.12Å
768	A	50.4	Low	61.8	Low	118 Å²	118	66.5 Å²	66.5	98%	0.975	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-2.4	171.7	0	0	0	0	0	114.1	F770	A768-F770 VanDerWaalsContact C-N 3.32Å
769	S	54.8	Low	60.3	Low	58 Å²	58	69.2 Å²	69.2	41%	0.406	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	15.2	178.6	179.7	0	0	0	0	113.4	T767 R771 K772 T773	T767-S769 PolarHBondContact O-N 3.33Å; T767-S769 VanDerWaalsContact O-N 3.12Å; S769-R771 VanDerWaalsContact C-N 3.29Å; S769-R771 PolarHBondContact O-N 2.91Å; S769-R771 VanDerWaalsContact O-N 3.14Å; S769-K772 PolarHBondContact O-N 3.31Å; S769-T773 PolarHBondContact O-N 2.97Å; S769-T773 PolarHBondContact O-OG1 3.35Å
770	F	54.7	Low	58.7	Low	25 Å²	25	69.2 Å²	69.2	11%	0.11	34%	0.343	C	S	.	.	H	α-helix	trans	-49.8	-44.3	-170.8	-177.8	-82.6	0	0	0	114	V764 A768 T773 A774 I793 F794	V764-F770 HydrophobicContact CB-CD2 4.31Å; V764-F770 HydrophobicContact CG1-CB 4.03Å; V764-F770 HydrophobicContact CG1-CD2 3.29Å; V764-F770 HydrophobicContact CG1-CE2 3.77Å; V764-F770 HydrophobicContact CG1-CG 3.76Å; A768-F770 VanDerWaalsContact C-N 3.32Å; F770-T773 PolarHBondContact O-N 3.41Å; F770-A774 HydrophobicContact CD1-CB 4.46Å; F770-A774 HydrophobicContact CE1-CB 4.19Å; F770-A774 VanDerWaalsContact O-CB 3.26Å; F770-A774 WeakPolarHBondContact O-CB 3.42Å; F770-A774 PolarHBondContact O-N 3.12Å; F770-I793 HydrophobicContact CE2-CG2 4.31Å; F770-I793 HydrophobicContact CZ-CB 4.25Å; F770-I793 HydrophobicContact CZ-CG2 3.65Å; F770-F794 AromaticContact CD1-CD2 3.69Å; F770-F794 HydrophobicContact CD1-CD2 3.69Å; F770-F794 HydrophobicContact CD1-CE2 4.29Å; F770-F794 HydrophobicContact CE1-CB 4.2Å; F770-F794 AromaticContact CE1-CD2 3.79Å; F770-F794 HydrophobicContact CE1-CD2 3.79Å; F770-F794 HydrophobicContact CG-CD2 4.4Å
771	R	54.6	Low	56.8	Low	135 Å²	135	74.9 Å²	74.9	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-66.3	-45.3	-174.6	-161.1	174.7	-175	154.5	5.4	112.9	S769 T773 A774 E775 E787	S769-R771 VanDerWaalsContact C-N 3.29Å; S769-R771 PolarHBondContact O-N 2.91Å; S769-R771 VanDerWaalsContact O-N 3.14Å; R771-T773 VanDerWaalsContact C-N 3.33Å; R771-T773 PolarHBondContact O-N 2.75Å; R771-A774 PolarHBondContact O-N 3.24Å; R771-E775 IonicContact NE-OE1 2.7Å; R771-E775 WeakPolarHBondContact O-CB 3.49Å; R771-E775 VanDerWaalsContact O-CG 3.25Å; R771-E775 WeakPolarHBondContact O-CG 3.34Å; R771-E775 PolarHBondContact O-N 2.85Å; R771-E787 IonicContact NH2-OE1 3.68Å; R771-E787 PolarHBondContact NH2-OE1 3.14Å
772	K	59.7	Low	55.4	Low	115 Å²	115	75.9 Å²	75.9	50%	0.5	39%	0.388	S	S	.	.	H	α-helix	trans	-66.6	-34.1	-179.7	-166.3	175.7	-178.7	-178	0	112.3	S769 R776	S769-K772 PolarHBondContact O-N 3.31Å; K772-R776 WeakPolarHBondContact O-CG 3.12Å; K772-R776 PolarHBondContact O-N 3.15Å
773	T	56.3	Low	54.1	Low	22 Å²	22	81.6 Å²	81.6	14%	0.135	41%	0.405	C	S	.	.	H	α-helix	trans	-79.5	-35.2	177.6	-44.9	0	0	0	0	112.1	I760 V764 S769 F770 R771 R776 L777	I760-T773 HydrophobicContact CG2-CG2 3.75Å; V764-T773 HydrophobicContact CG2-CG2 3.38Å; S769-T773 PolarHBondContact O-N 2.97Å; S769-T773 PolarHBondContact O-OG1 3.35Å; F770-T773 PolarHBondContact O-N 3.41Å; R771-T773 VanDerWaalsContact C-N 3.33Å; R771-T773 PolarHBondContact O-N 2.75Å; T773-R776 PolarHBondContact O-N 3.05Å; T773-L777 PolarHBondContact O-N 3.16Å; T773-L777 VanDerWaalsContact O-N 3.16Å
774	A	55.5	Low	53.1	Low	6 Å²	6	85.6 Å²	85.6	5%	0.05	42%	0.42	C	S	.	.	H	α-helix	trans	-68.2	-38.9	173	0	0	0	0	0	112.1	F770 R771 R776 L777 L778 I790	F770-A774 HydrophobicContact CD1-CB 4.46Å; F770-A774 HydrophobicContact CE1-CB 4.19Å; F770-A774 VanDerWaalsContact O-CB 3.26Å; F770-A774 WeakPolarHBondContact O-CB 3.42Å; F770-A774 PolarHBondContact O-N 3.12Å; R771-A774 PolarHBondContact O-N 3.24Å; A774-R776 VanDerWaalsContact C-N 3.28Å; A774-R776 PolarHBondContact O-N 3.47Å; A774-L777 PolarHBondContact O-N 3.15Å; A774-L778 HydrophobicContact CB-CD1 4.49Å; A774-L778 WeakPolarHBondContact O-CB 3.33Å; A774-L778 PolarHBondContact O-N 3.43Å; A774-I790 HydrophobicContact CB-CG1 4.02Å; A774-I790 HydrophobicContact CB-CG2 4.38Å
775	E	56.9	Low	52.5	Low	84 Å²	84	90.6 Å²	90.6	39%	0.393	44%	0.444	S	S	.	.	H	α-helix	trans	-61.3	-33.1	172.4	-77.7	170.7	-173.8	0	0	113	R771 I790	R771-E775 IonicContact NE-OE1 2.7Å; R771-E775 WeakPolarHBondContact O-CB 3.49Å; R771-E775 VanDerWaalsContact O-CG 3.25Å; R771-E775 WeakPolarHBondContact O-CG 3.34Å; R771-E775 PolarHBondContact O-N 2.85Å; E775-I790 HydrophobicContact CG-CD1 3.74Å
776	R	61.4	Low	52.4	Low	80 Å²	80	85.7 Å²	85.7	30%	0.302	43%	0.427	S	S	.	.	H	α-helix	trans	-72.2	-36.3	174.2	-75.1	174.5	179.7	-176.3	-3.6	112.8	K772 T773 A774	K772-R776 WeakPolarHBondContact O-CG 3.12Å; K772-R776 PolarHBondContact O-N 3.15Å; T773-R776 PolarHBondContact O-N 3.05Å; A774-R776 VanDerWaalsContact C-N 3.28Å; A774-R776 PolarHBondContact O-N 3.47Å
777	L	55	Low	52.4	Low	20 Å²	20	83.5 Å²	83.5	11%	0.105	41%	0.412	C	S	.	.	H	α-helix	trans	-80.3	-32	-178.5	-83.1	169.2	0	0	0	114.2	L226 I760 L761 V764 T773 A774	L226-L777 HydrophobicContact CD1-CD2 4.16Å; I760-L777 HydrophobicContact CB-CD1 4.15Å; I760-L777 HydrophobicContact CB-CD2 4.29Å; I760-L777 HydrophobicContact CD1-CD2 3.92Å; I760-L777 HydrophobicContact CG2-CD1 3.49Å; I760-L777 VanDerWaalsContact CG2-CD1 3.49Å; I760-L777 HydrophobicContact CG2-CD2 4.11Å; I760-L777 HydrophobicContact CG2-CG 3.95Å; L761-L777 HydrophobicContact CD2-CD1 3.78Å; L761-L777 HydrophobicContact CG-CD1 4.2Å; V764-L777 HydrophobicContact CG2-CD1 4.49Å; T773-L777 PolarHBondContact O-N 3.16Å; T773-L777 VanDerWaalsContact O-N 3.16Å; A774-L777 PolarHBondContact O-N 3.15Å
778	L	54.5	Low	52.6	Low	12 Å²	12	84.5 Å²	84.5	6%	0.063	41%	0.411	C	S	.	.			trans	-118.1	29.1	-164.7	-63.2	167.6	0	0	0	113.1	A774 F780 T786 A789 I790 I793 I827	A774-L778 HydrophobicContact CB-CD1 4.49Å; A774-L778 WeakPolarHBondContact O-CB 3.33Å; A774-L778 PolarHBondContact O-N 3.43Å; L778-F780 HydrophobicContact CB-CD2 4.43Å; L778-F780 HydrophobicContact CB-CE2 3.94Å; L778-F780 HydrophobicContact CD2-CE2 4.07Å; L778-F780 HydrophobicContact CD2-CZ 4.16Å; L778-F780 WeakPolarHBondContact O-CD2 3.16Å; L778-F780 WeakPolarHBondContact O-CE2 3.45Å; L778-F780 PolarHBondContact O-N 2.96Å; L778-T786 VanDerWaalsContact O-CG2 3.22Å; L778-T786 WeakPolarHBondContact O-CG2 3.43Å; L778-T786 PolarHBondContact O-OG1 3.26Å; L778-A789 HydrophobicContact CD1-CB 4.41Å; L778-I790 HydrophobicContact CD1-CG1 4.03Å; L778-I793 HydrophobicContact CD1-CD1 3.49Å; L778-I793 VanDerWaalsContact CD1-CD1 3.49Å; L778-I827 HydrophobicContact CD2-CD1 3.61Å
779	R	53.4	Low	52.7	Low	173 Å²	173	80 Å²	80	65%	0.653	38%	0.375	S	S	*	.			trans	-71.5	72.7	-173.5	-144	-176.1	-167.9	-164.9	4.4	111.7	Q227	Q227-R779 PolarHBondContact OE1-O 3.49Å
780	F	50.7	Low	52.8	Low	40 Å²	40	77.7 Å²	77.7	18%	0.175	36%	0.357	C	S	.	.			trans	-67.8	152.4	175.4	-58.1	-78.7	0	0	0	110.3	L778 D782 T786 A789	L778-F780 HydrophobicContact CB-CD2 4.43Å; L778-F780 HydrophobicContact CB-CE2 3.94Å; L778-F780 HydrophobicContact CD2-CE2 4.07Å; L778-F780 HydrophobicContact CD2-CZ 4.16Å; L778-F780 WeakPolarHBondContact O-CD2 3.16Å; L778-F780 WeakPolarHBondContact O-CE2 3.45Å; L778-F780 PolarHBondContact O-N 2.96Å; F780-D782 PolarHBondContact O-N 2.96Å; F780-D782 VanDerWaalsContact O-N 3.12Å; F780-T786 WeakPolarHBondContact CB-OG1 3.41Å; F780-T786 PolarHBondContact N-OG1 2.85Å; F780-T786 VanDerWaalsContact N-OG1 3.11Å; F780-T786 PolarHBondContact O-OG1 3.24Å; F780-A789 HydrophobicContact CE2-CB 3.91Å
781	S	39.1	Very low	52.8	Low	122 Å²	122	80.5 Å²	80.5	85%	0.853	37%	0.373	S	S	*	.	S	Bend	trans	-61.2	-18.1	174.9	22.2	0	0	0	0	113.2
782	D	46.8	Very low	52.9	Low	71 Å²	71	82.1 Å²	82.1	38%	0.38	38%	0.38	S	S	.	.	S	Bend	trans	-103.4	114.6	169.7	-170.9	-14.1	0	0	0	110.7	F780 R784 Q785 T786	F780-D782 PolarHBondContact O-N 2.96Å; F780-D782 VanDerWaalsContact O-N 3.12Å; D782-R784 PolarHBondContact O-N 3.02Å; D782-R784 VanDerWaalsContact OD1-CB 3.29Å; D782-R784 WeakPolarHBondContact OD1-CB 3.36Å; D782-R784 PolarHBondContact OD1-N 2.76Å; D782-Q785 HydrophobicContact CB-CB 4.15Å; D782-Q785 HydrophobicContact CB-CG 4.03Å; D782-Q785 PolarHBondContact O-N 3.12Å; D782-T786 PolarHBondContact O-N 2.96Å; D782-T786 VanDerWaalsContact O-N 3.1Å; D782-T786 PolarHBondContact O-OG1 2.77Å
783	K	48.1	Very low	52.7	Low	184 Å²	184	78.6 Å²	78.6	80%	0.8	37%	0.366	S	S	*	.	H	α-helix	trans	-58.5	-30.2	176.9	-78	-175.8	175.3	-178.8	0	112.4	E787	K783-E787 PolarHBondContact O-N 3.3Å
784	R	47.2	Very low	52.6	Low	194 Å²	194	81.9 Å²	81.9	73%	0.732	38%	0.379	S	S	*	.	H	α-helix	trans	-74.7	-38	-177.8	-150	176.5	-172.3	175.5	1.7	111.7	D782 E788	D782-R784 PolarHBondContact O-N 3.02Å; D782-R784 VanDerWaalsContact OD1-CB 3.29Å; D782-R784 WeakPolarHBondContact OD1-CB 3.36Å; D782-R784 PolarHBondContact OD1-N 2.76Å; R784-E788 WeakPolarHBondContact O-CG 3.37Å; R784-E788 PolarHBondContact O-N 2.64Å
785	Q	49.2	Very low	52.6	Low	110 Å²	110	83.8 Å²	83.8	51%	0.514	39%	0.394	S	S	.	.	H	α-helix	trans	-71.2	-34.2	173.9	-67.9	-177.5	-8.4	0	0	112.3	D782 E788 A789	D782-Q785 HydrophobicContact CB-CB 4.15Å; D782-Q785 HydrophobicContact CB-CG 4.03Å; D782-Q785 PolarHBondContact O-N 3.12Å; Q785-E788 PolarHBondContact O-N 3.48Å; Q785-A789 VanDerWaalsContact O-CB 3.26Å; Q785-A789 WeakPolarHBondContact O-CB 3.33Å; Q785-A789 PolarHBondContact O-N 2.99Å
786	T	51.5	Low	52.4	Low	16 Å²	16	83.6 Å²	83.6	10%	0.098	40%	0.395	C	S	.	.	H	α-helix	trans	-61.6	-48.9	172.5	-55.3	0	0	0	0	111.1	L778 F780 D782 A789 I790	L778-T786 VanDerWaalsContact O-CG2 3.22Å; L778-T786 WeakPolarHBondContact O-CG2 3.43Å; L778-T786 PolarHBondContact O-OG1 3.26Å; F780-T786 WeakPolarHBondContact CB-OG1 3.41Å; F780-T786 PolarHBondContact N-OG1 2.85Å; F780-T786 VanDerWaalsContact N-OG1 3.11Å; F780-T786 PolarHBondContact O-OG1 3.24Å; D782-T786 PolarHBondContact O-N 2.96Å; D782-T786 VanDerWaalsContact O-N 3.1Å; D782-T786 PolarHBondContact O-OG1 2.77Å; T786-A789 PolarHBondContact O-N 3.39Å; T786-I790 HydrophobicContact CG2-CD1 3.76Å; T786-I790 WeakPolarHBondContact O-CB 3.31Å; T786-I790 WeakPolarHBondContact O-CD1 3.12Å; T786-I790 WeakPolarHBondContact O-CG1 3.46Å; T786-I790 PolarHBondContact O-N 3.1Å
787	E	52.4	Low	51.8	Low	91 Å²	91	81.4 Å²	81.4	43%	0.425	39%	0.392	S	S	.	.	H	α-helix	trans	-63.5	-44.2	175.5	-75	-122.7	131.5	0	0	112.2	R771 K783 A789 I790 D791	R771-E787 IonicContact NH2-OE1 3.68Å; R771-E787 PolarHBondContact NH2-OE1 3.14Å; K783-E787 PolarHBondContact O-N 3.3Å; E787-A789 PolarHBondContact O-N 3.3Å; E787-I790 PolarHBondContact O-N 3.34Å; E787-D791 VanDerWaalsContact O-CB 3.29Å; E787-D791 WeakPolarHBondContact O-CB 3.35Å; E787-D791 VanDerWaalsContact O-CG 3.28Å; E787-D791 PolarHBondContact O-N 3.48Å
788	E	52.1	Low	51.7	Low	98 Å²	98	85 Å²	85	46%	0.458	41%	0.408	S	S	.	.	H	α-helix	trans	-62.9	-37	176.9	-79.1	-175.2	-164.4	0	0	113.5	R784 Q785 R792	R784-E788 WeakPolarHBondContact O-CG 3.37Å; R784-E788 PolarHBondContact O-N 2.64Å; Q785-E788 PolarHBondContact O-N 3.48Å; E788-R792 WeakPolarHBondContact O-CB 3.35Å; E788-R792 VanDerWaalsContact O-CG 3.26Å; E788-R792 WeakPolarHBondContact O-CG 3.49Å; E788-R792 PolarHBondContact O-N 3.47Å; E788-R792 IonicContact OE2-NH2 3.9Å
789	A	53.5	Low	51.6	Low	25 Å²	25	93.1 Å²	93.1	21%	0.207	44%	0.438	C	S	.	.	H	α-helix	trans	-69.7	-43.5	176.8	0	0	0	0	0	111.3	L778 F780 Q785 T786 E787 R792 I793	L778-A789 HydrophobicContact CD1-CB 4.41Å; F780-A789 HydrophobicContact CE2-CB 3.91Å; Q785-A789 VanDerWaalsContact O-CB 3.26Å; Q785-A789 WeakPolarHBondContact O-CB 3.33Å; Q785-A789 PolarHBondContact O-N 2.99Å; T786-A789 PolarHBondContact O-N 3.39Å; E787-A789 PolarHBondContact O-N 3.3Å; A789-R792 PolarHBondContact O-N 3.27Å; A789-I793 WeakPolarHBondContact O-CD1 3.22Å; A789-I793 VanDerWaalsContact O-CG1 3.23Å; A789-I793 WeakPolarHBondContact O-CG1 3.37Å; A789-I793 PolarHBondContact O-N 3.09Å
790	I	55.3	Low	51.3	Low	8 Å²	8	88.9 Å²	88.9	4%	0.041	43%	0.426	C	S	.	.	H	α-helix	trans	-60.3	-46.8	174.2	-68.6	167.5	0	0	0	109.9	A774 E775 L778 T786 E787 I793 F794	A774-I790 HydrophobicContact CB-CG1 4.02Å; A774-I790 HydrophobicContact CB-CG2 4.38Å; E775-I790 HydrophobicContact CG-CD1 3.74Å; L778-I790 HydrophobicContact CD1-CG1 4.03Å; T786-I790 HydrophobicContact CG2-CD1 3.76Å; T786-I790 WeakPolarHBondContact O-CB 3.31Å; T786-I790 WeakPolarHBondContact O-CD1 3.12Å; T786-I790 WeakPolarHBondContact O-CG1 3.46Å; T786-I790 PolarHBondContact O-N 3.1Å; E787-I790 PolarHBondContact O-N 3.34Å; I790-I793 PolarHBondContact O-N 3.42Å; I790-F794 VanDerWaalsContact O-CB 3.25Å; I790-F794 WeakPolarHBondContact O-CB 3.15Å; I790-F794 PolarHBondContact O-N 3.26Å
791	D	54.5	Low	51.3	Low	84 Å²	84	92.8 Å²	92.8	45%	0.449	45%	0.445	S	S	.	.	H	α-helix	trans	-66.9	-37.1	180	-76.3	-18	0	0	0	112.7	E787 F794 A795	E787-D791 VanDerWaalsContact O-CB 3.29Å; E787-D791 WeakPolarHBondContact O-CB 3.35Å; E787-D791 VanDerWaalsContact O-CG 3.28Å; E787-D791 PolarHBondContact O-N 3.48Å; D791-F794 PolarHBondContact O-N 2.99Å; D791-A795 WeakPolarHBondContact O-CB 3.16Å; D791-A795 PolarHBondContact O-N 2.83Å
792	R	57.5	Low	51.7	Low	169 Å²	169	93.9 Å²	93.9	64%	0.638	44%	0.436	S	S	*	.	H	α-helix	trans	-64	-45.4	172.9	-79.6	179.6	-162.8	-168.9	9.1	111.6	E788 A789 F794 A795 I796	E788-R792 WeakPolarHBondContact O-CB 3.35Å; E788-R792 VanDerWaalsContact O-CG 3.26Å; E788-R792 WeakPolarHBondContact O-CG 3.49Å; E788-R792 PolarHBondContact O-N 3.47Å; E788-R792 IonicContact OE2-NH2 3.9Å; A789-R792 PolarHBondContact O-N 3.27Å; R792-F794 VanDerWaalsContact C-N 3.31Å; R792-F794 PolarHBondContact O-N 3.4Å; R792-A795 PolarHBondContact O-N 3.46Å; R792-I796 WeakPolarHBondContact O-CD1 3.33Å; R792-I796 WeakPolarHBondContact O-CG1 3.37Å; R792-I796 PolarHBondContact O-N 3.14Å
793	I	54.7	Low	51.7	Low	42 Å²	42	97.4 Å²	97.4	22%	0.215	45%	0.45	C	S	.	.	H	α-helix	trans	-67	-38.1	178.6	-60	165.2	0	0	0	109.9	F770 L778 A789 I790 I796 S797	F770-I793 HydrophobicContact CE2-CG2 4.31Å; F770-I793 HydrophobicContact CZ-CB 4.25Å; F770-I793 HydrophobicContact CZ-CG2 3.65Å; L778-I793 HydrophobicContact CD1-CD1 3.49Å; L778-I793 VanDerWaalsContact CD1-CD1 3.49Å; A789-I793 WeakPolarHBondContact O-CD1 3.22Å; A789-I793 VanDerWaalsContact O-CG1 3.23Å; A789-I793 WeakPolarHBondContact O-CG1 3.37Å; A789-I793 PolarHBondContact O-N 3.09Å; I790-I793 PolarHBondContact O-N 3.42Å; I793-I796 PolarHBondContact O-N 3.08Å; I793-S797 WeakPolarHBondContact O-CB 3.28Å; I793-S797 PolarHBondContact O-N 3.2Å
794	F	56.2	Low	51.6	Low	91 Å²	91	96.5 Å²	96.5	40%	0.399	45%	0.449	S	S	.	.	H	α-helix	trans	-64.2	-43.9	174.9	-163	-103.4	0	0	0	112.2	F770 I790 D791 R792 I796 S797 Q798	F770-F794 AromaticContact CD1-CD2 3.69Å; F770-F794 HydrophobicContact CD1-CD2 3.69Å; F770-F794 HydrophobicContact CD1-CE2 4.29Å; F770-F794 HydrophobicContact CE1-CB 4.2Å; F770-F794 AromaticContact CE1-CD2 3.79Å; F770-F794 HydrophobicContact CE1-CD2 3.79Å; F770-F794 HydrophobicContact CG-CD2 4.4Å; I790-F794 VanDerWaalsContact O-CB 3.25Å; I790-F794 WeakPolarHBondContact O-CB 3.15Å; I790-F794 PolarHBondContact O-N 3.26Å; D791-F794 PolarHBondContact O-N 2.99Å; R792-F794 VanDerWaalsContact C-N 3.31Å; R792-F794 PolarHBondContact O-N 3.4Å; F794-I796 PolarHBondContact O-N 3.13Å; F794-S797 WeakPolarHBondContact O-CB 3.49Å; F794-S797 PolarHBondContact O-N 2.68Å; F794-Q798 HydrophobicContact CD1-CG 4.42Å; F794-Q798 HydrophobicContact CE1-CG 4.29Å; F794-Q798 PolarHBondContact O-N 2.88Å
795	A	54.5	Low	51.3	Low	46 Å²	46	95.7 Å²	95.7	38%	0.38	45%	0.453	S	S	.	.	H	α-helix	trans	-66	-37.5	177.9	0	0	0	0	0	112.8	D791 R792 R799	D791-A795 WeakPolarHBondContact O-CB 3.16Å; D791-A795 PolarHBondContact O-N 2.83Å; R792-A795 PolarHBondContact O-N 3.46Å; A795-R799 WeakPolarHBondContact O-CG 3.21Å; A795-R799 PolarHBondContact O-N 2.92Å
796	I	52.6	Low	50.8	Low	79 Å²	79	93.3 Å²	93.3	41%	0.405	46%	0.458	S	S	.	.	H	α-helix	trans	-70.7	-37.3	175.4	-60.2	163.6	0	0	0	110.4	R792 I793 F794 R799 Q800 F820	R792-I796 WeakPolarHBondContact O-CD1 3.33Å; R792-I796 WeakPolarHBondContact O-CG1 3.37Å; R792-I796 PolarHBondContact O-N 3.14Å; I793-I796 PolarHBondContact O-N 3.08Å; F794-I796 PolarHBondContact O-N 3.13Å; I796-R799 PolarHBondContact O-N 3.1Å; I796-Q800 PolarHBondContact O-N 2.79Å; I796-F820 HydrophobicContact CB-CE2 4.49Å; I796-F820 HydrophobicContact CG2-CD2 4.37Å; I796-F820 HydrophobicContact CG2-CE2 3.43Å; I796-F820 VanDerWaalsContact CG2-CE2 3.43Å; I796-F820 HydrophobicContact CG2-CZ 4.01Å
797	S	49.9	Very low	50.3	Low	34 Å²	34	103.1 Å²	103.1	24%	0.238	49%	0.493	C	S	.	.	H	α-helix	trans	-61.3	-46.8	173.2	-175.9	0	0	0	0	112.1	I793 F794 R799 Q800 Q801	I793-S797 WeakPolarHBondContact O-CB 3.28Å; I793-S797 PolarHBondContact O-N 3.2Å; F794-S797 WeakPolarHBondContact O-CB 3.49Å; F794-S797 PolarHBondContact O-N 2.68Å; S797-R799 PolarHBondContact O-N 3.24Å; S797-Q800 PolarHBondContact O-N 3.08Å; S797-Q801 PolarHBondContact O-N 2.96Å; S797-Q801 VanDerWaalsContact O-N 3.1Å
798	Q	52.1	Low	49.6	Very low	96 Å²	96	103 Å²	103	45%	0.449	51%	0.508	S	S	.	.	H	α-helix	trans	-63.4	-39.8	176.5	-76.5	-168.1	-14.1	0	0	112.9	F794 Q800 Q801 Q802	F794-Q798 HydrophobicContact CD1-CG 4.42Å; F794-Q798 HydrophobicContact CE1-CG 4.29Å; F794-Q798 PolarHBondContact O-N 2.88Å; Q798-Q800 PolarHBondContact O-N 2.93Å; Q798-Q801 PolarHBondContact O-N 2.94Å; Q798-Q802 PolarHBondContact O-N 2.86Å
799	R	53.5	Low	49	Very low	182 Å²	182	108 Å²	108	69%	0.687	53%	0.528	S	S	*	.	H	α-helix	trans	-60.8	-30.9	175.3	-80.7	-179.5	178.4	-174.7	1	112.7	A795 I796 S797 Q803	A795-R799 WeakPolarHBondContact O-CG 3.21Å; A795-R799 PolarHBondContact O-N 2.92Å; I796-R799 PolarHBondContact O-N 3.1Å; S797-R799 PolarHBondContact O-N 3.24Å; R799-Q803 WeakPolarHBondContact O-CG 3.3Å; R799-Q803 PolarHBondContact O-N 2.95Å
800	Q	47	Very low	48.1	Very low	84 Å²	84	116 Å²	116	39%	0.393	56%	0.558	S	S	.	*	H	α-helix	trans	-80.8	-36.9	176.1	-83	-173.5	-24.4	0	0	113.6	I796 S797 Q798 Q802 Q803 Q804	I796-Q800 PolarHBondContact O-N 2.79Å; S797-Q800 PolarHBondContact O-N 3.08Å; Q798-Q800 PolarHBondContact O-N 2.93Å; Q800-Q802 VanDerWaalsContact C-N 3.29Å; Q800-Q802 PolarHBondContact O-N 2.84Å; Q800-Q803 PolarHBondContact O-N 2.83Å; Q800-Q803 VanDerWaalsContact O-N 3.17Å; Q800-Q804 PolarHBondContact O-N 2.86Å
801	Q	49.7	Very low	46.8	Very low	123 Å²	123	123 Å²	123	58%	0.575	60%	0.596	S	S	*	*	H	α-helix	trans	-60.7	-40.2	171.6	-85.2	-177.9	-13.3	0	0	111.6	S797 Q798 Q804 H805	S797-Q801 PolarHBondContact O-N 2.96Å; S797-Q801 VanDerWaalsContact O-N 3.1Å; Q798-Q801 PolarHBondContact O-N 2.94Å; Q801-Q804 PolarHBondContact O-N 2.85Å; Q801-H805 PolarHBondContact O-N 3.01Å; Q801-H805 VanDerWaalsContact O-N 3.09Å
802	Q	47.2	Very low	46.2	Very low	144 Å²	144	131 Å²	131	67%	0.673	62%	0.62	S	S	*	*	H	α-helix	trans	-67.6	-33.7	173.9	-76.5	179.2	-11.5	0	0	113	Q798 Q800 G806	Q798-Q802 PolarHBondContact O-N 2.86Å; Q800-Q802 VanDerWaalsContact C-N 3.29Å; Q800-Q802 PolarHBondContact O-N 2.84Å; Q802-G806 PolarHBondContact O-N 2.88Å; Q802-G806 VanDerWaalsContact O-N 3.09Å
803	Q	48.3	Very low	44.9	Very low	146 Å²	146	132.6 Å²	132.6	68%	0.682	63%	0.631	S	S	*	*	H	α-helix	trans	-75.1	-25.8	174.9	-79.7	-177.9	-3.9	0	0	114	R799 Q800	R799-Q803 WeakPolarHBondContact O-CG 3.3Å; R799-Q803 PolarHBondContact O-N 2.95Å; Q800-Q803 PolarHBondContact O-N 2.83Å; Q800-Q803 VanDerWaalsContact O-N 3.17Å
804	Q	45.1	Very low	44.2	Very low	165 Å²	165	137.8 Å²	137.8	77%	0.771	66%	0.664	S	S	*	*	H	α-helix	trans	-78.2	-35.8	172.7	-85.4	-176.8	-15.5	0	0	112.8	Q800 Q801	Q800-Q804 PolarHBondContact O-N 2.86Å; Q801-Q804 PolarHBondContact O-N 2.85Å
805	H	40.7	Very low	42.9	Very low	176 Å²	176	137.2 Å²	137.2	82%	0.815	68%	0.676	S	S	*	*	H	α-helix	trans	-81	-15.1	174.9	-82.1	-34.6	0	0	0	114.6	Q801	Q801-H805 PolarHBondContact O-N 3.01Å; Q801-H805 VanDerWaalsContact O-N 3.09Å
806	G	39.8	Very low	41.9	Very low	60 Å²	60	143.7 Å²	143.7	62%	0.619	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-2.1	179.5	0	0	0	0	0	116.8	Q802	Q802-G806 PolarHBondContact O-N 2.88Å; Q802-G806 VanDerWaalsContact O-N 3.09Å
807	R	40.1	Very low	40.8	Very low	222 Å²	222	143.6 Å²	143.6	84%	0.838	72%	0.715	S	S	*	*			trans	-112	61.5	-176.6	-94.9	-176.3	171.3	173.2	-0.6	113.3
808	A	38.1	Very low	39.8	Very low	89 Å²	89	152.7 Å²	152.7	74%	0.736	75%	0.745	S	S	*	*	S	Bend	trans	-121.8	55	161.4	0	0	0	0	0	111
809	K	39	Very low	38.9	Very low	202 Å²	202	155.9 Å²	155.9	88%	0.878	76%	0.758	S	S	*	*	S	Bend	trans	-177.3	125.1	149	-103.1	157.4	-178.4	176.9	0	112
810	K	33.6	Very low	38.1	Very low	195 Å²	195	150 Å²	150	85%	0.848	74%	0.737	S	S	*	*			trans	82	118	162.5	-72.3	-176.9	173.4	178.9	0	120.6
811	N	29.9	Very low	37.7	Very low	155 Å²	155	150.4 Å²	150.4	83%	0.829	75%	0.745	S	S	*	*			trans	87	112.1	145.4	-68.7	-3.4	0	0	0	121.3	K813	N811-K813 PolarHBondContact O-N 3.45Å
812	R	40.5	Very low	37	Very low	252 Å²	252	150.5 Å²	150.5	95%	0.951	75%	0.75	S	S	*	*			trans	-41.4	115.4	154.1	-93.3	172.8	157.6	169.1	-6.1	111.4
813	K	30.6	Very low	36.5	Very low	202 Å²	202	147.8 Å²	147.8	88%	0.878	75%	0.752	S	S	*	*			trans	-156.5	136.5	141.8	-104.2	178.8	-173.7	-177.4	0	108.6	N811 A815	N811-K813 PolarHBondContact O-N 3.45Å; K813-A815 PolarHBondContact O-N 3.08Å
814	V	40.5	Very low	36.4	Very low	150 Å²	150	143.8 Å²	143.8	91%	0.909	74%	0.738	S	S	*	*			trans	-43.1	117.7	-176.4	178.2	0	0	0	0	111.6
815	A	28.8	Very low	36.8	Very low	79 Å²	79	139.8 Å²	139.8	65%	0.653	73%	0.726	S	S	*	*			trans	-94.5	111.7	175.8	0	0	0	0	0	109.6	K813 G817	K813-A815 PolarHBondContact O-N 3.08Å; A815-G817 PolarHBondContact O-N 3.43Å
816	K	32.2	Very low	38.1	Very low	183 Å²	183	134.3 Å²	134.3	80%	0.796	70%	0.702	S	S	*	*			trans	-50.9	127.8	163.5	-88.3	175.5	169.4	177.5	0	109.1	Y818	K816-Y818 PolarHBondContact O-N 3.21Å
817	G	30.8	Very low	39.6	Very low	77 Å²	77	132.3 Å²	132.3	79%	0.794	68%	0.677	S	S	*	*			trans	-59.7	108.2	173.5	0	0	0	0	0	110.7	A815 K819	A815-G817 PolarHBondContact O-N 3.43Å; G817-K819 PolarHBondContact O-N 2.99Å
818	Y	28.4	Very low	41.4	Very low	224 Å²	224	122 Å²	122	88%	0.878	64%	0.638	S	S	*	*			trans	-80.9	107.9	171.4	-95.7	-91.2	0	0	0	109.1	K816 F820	K816-Y818 PolarHBondContact O-N 3.21Å; Y818-F820 PolarHBondContact O-N 3.2Å
819	K	33.7	Very low	43.1	Very low	163 Å²	163	119.4 Å²	119.4	71%	0.709	62%	0.617	S	S	*	*			trans	-68.3	115.8	172.3	-73.9	179	173.7	-176.9	0	109.9	G817 V821 D822	G817-K819 PolarHBondContact O-N 2.99Å; K819-V821 VanDerWaalsContact C-N 3.26Å; K819-D822 WeakPolarHBondContact CD-OD2 3.46Å
820	F	35.8	Very low	44.6	Very low	58 Å²	58	114 Å²	114	25%	0.254	60%	0.595	S	S	.	*	S	Bend	trans	-73	-20.4	168	-172.8	-78.5	0	0	0	112.3	R765 I796 Y818 D822	R765-F820 VanDerWaalsContact NH2-CD2 3.34Å; R765-F820 VanDerWaalsContact NH2-CE2 3.27Å; I796-F820 HydrophobicContact CB-CE2 4.49Å; I796-F820 HydrophobicContact CG2-CD2 4.37Å; I796-F820 HydrophobicContact CG2-CE2 3.43Å; I796-F820 VanDerWaalsContact CG2-CE2 3.43Å; I796-F820 HydrophobicContact CG2-CZ 4.01Å; Y818-F820 PolarHBondContact O-N 3.2Å; F820-D822 VanDerWaalsContact C-N 3.34Å; F820-D822 PolarHBondContact O-N 3.36Å
821	V	38.8	Very low	46.6	Very low	93 Å²	93	105.2 Å²	105.2	56%	0.564	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.7	-15.6	-161.3	-171.4	0	0	0	0	113.8	K819	K819-V821 VanDerWaalsContact C-N 3.26Å
822	D	35.5	Very low	48.8	Very low	125 Å²	125	99.8 Å²	99.8	67%	0.668	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	5.7	-174.1	-63	-30.5	0	0	0	113.9	K819 F820	K819-D822 WeakPolarHBondContact CD-OD2 3.46Å; F820-D822 VanDerWaalsContact C-N 3.34Å; F820-D822 PolarHBondContact O-N 3.36Å
823	A	37.2	Very low	50.3	Low	87 Å²	87	91.6 Å²	91.6	72%	0.719	51%	0.505	S	S	*	.	S	Bend	trans	-115.6	3	-172	0	0	0	0	0	115.8
824	V	45.2	Very low	52	Low	63 Å²	63	85.7 Å²	85.7	38%	0.382	48%	0.483	S	S	.	.	S	Bend	trans	-90.9	125	170.5	-174.9	0	0	0	0	107.7	I827	V824-I827 HydrophobicContact CG1-CD1 4.49Å
825	P	54.6	Low	53.5	Low	80 Å²	80	79.1 Å²	79.1	52%	0.519	44%	0.442	S	S	.	.			trans	-54.7	141.1	174.4	-21.4	31.2	0	0	0	110.6	I827	P825-I827 WeakPolarHBondContact O-CG1 3.48Å; P825-I827 PolarHBondContact O-N 2.64Å
826	D	66.2	Low	55.4	Low	61 Å²	61	83.5 Å²	83.5	33%	0.326	44%	0.442	S	S	.	.			trans	-59.9	96	174.2	-178.9	4.5	0	0	0	109.4	K750 F828 A829 Q830	K750-D826 VanDerWaalsContact CE-OD2 3.27Å; K750-D826 WeakPolarHBondContact CE-OD2 3.46Å; K750-D826 IonicContact NZ-OD1 3.93Å; K750-D826 IonicContact NZ-OD2 2.77Å; K750-D826 PolarHBondContact NZ-OD2 2.9Å; D826-F828 PolarHBondContact O-N 2.83Å; D826-F828 PolarHBondContact OD1-N 3.06Å; D826-A829 HydrophobicContact CB-CB 3.89Å; D826-A829 WeakPolarHBondContact O-CB 3.35Å; D826-A829 PolarHBondContact O-N 2.95Å; D826-A829 VanDerWaalsContact O-N 3.07Å; D826-A829 PolarHBondContact OD1-N 2.72Å; D826-A829 WeakPolarHBondContact OD2-CB 3.35Å; D826-Q830 PolarHBondContact O-N 2.89Å
827	I	71.7	Confident	56.9	Low	19 Å²	19	81.4 Å²	81.4	10%	0.097	43%	0.433	C	S	.	.	H	α-helix	trans	-59.8	-36.4	-174.6	-56.8	-172.7	0	0	0	109.5	E757 L778 V824 P825 Q830 I831	E757-I827 WeakPolarHBondContact OE1-CD1 2.99Å; L778-I827 HydrophobicContact CD2-CD1 3.61Å; V824-I827 HydrophobicContact CG1-CD1 4.49Å; P825-I827 WeakPolarHBondContact O-CG1 3.48Å; P825-I827 PolarHBondContact O-N 2.64Å; I827-Q830 WeakPolarHBondContact O-CB 3.37Å; I827-Q830 PolarHBondContact O-N 2.88Å; I827-I831 HydrophobicContact CG2-CD1 3.92Å; I827-I831 HydrophobicContact CG2-CG1 4.4Å; I827-I831 VanDerWaalsContact O-CG1 3.28Å; I827-I831 WeakPolarHBondContact O-CG1 3.16Å; I827-I831 PolarHBondContact O-N 3.2Å
828	F	78.6	Confident	58.3	Low	4 Å²	4	81.7 Å²	81.7	2%	0.018	42%	0.419	C	S	.	.	H	α-helix	trans	-67.7	-36.7	178.1	-58.6	-70.7	0	0	0	112.2	L226 Y230 F753 Q754 E757 D826 Q830 I831 E832	L226-F828 HydrophobicContact CB-CE1 4.12Å; L226-F828 HydrophobicContact CB-CZ 4.08Å; L226-F828 HydrophobicContact CD1-CZ 4.17Å; Y230-F828 HydrophobicContact CD1-CD1 4.3Å; Y230-F828 HydrophobicContact CD2-CB 4.38Å; Y230-F828 AromaticContact CD2-CD1 3.29Å; Y230-F828 HydrophobicContact CD2-CD1 3.29Å; Y230-F828 AromaticContact CD2-CE1 3.78Å; Y230-F828 HydrophobicContact CD2-CE1 3.78Å; Y230-F828 HydrophobicContact CD2-CG 4Å; Y230-F828 HydrophobicContact CE1-CB 4.49Å; Y230-F828 HydrophobicContact CE2-CB 3.91Å; Y230-F828 AromaticContact CE2-CD1 3.7Å; Y230-F828 HydrophobicContact CE2-CD1 3.7Å; Y230-F828 HydrophobicContact CE2-CE1 4.5Å; Y230-F828 AromaticContact CE2-CG 3.92Å; Y230-F828 HydrophobicContact CE2-CG 3.92Å; Y230-F828 AromaticContact CG-CD1 3.64Å; Y230-F828 HydrophobicContact CG-CD1 3.64Å; Y230-F828 HydrophobicContact CG-CE1 4.16Å; F753-F828 HydrophobicContact CB-CE1 4.02Å; F753-F828 HydrophobicContact CB-CE2 4.14Å; F753-F828 HydrophobicContact CB-CZ 3.75Å; F753-F828 AromaticContact CD1-CE1 3.98Å; F753-F828 HydrophobicContact CD1-CE1 3.98Å; F753-F828 HydrophobicContact CD1-CZ 4.3Å; F753-F828 HydrophobicContact CG-CE1 4.41Å; Q754-F828 HydrophobicContact CG-CD2 3.9Å; Q754-F828 HydrophobicContact CG-CE2 4.05Å; E757-F828 HydrophobicContact CB-CE2 4.43Å; E757-F828 WeakPolarHBondContact OE2-CE2 2.98Å; D826-F828 PolarHBondContact O-N 2.83Å; D826-F828 PolarHBondContact OD1-N 3.06Å; F828-Q830 VanDerWaalsContact C-N 3.3Å; F828-Q830 PolarHBondContact O-N 2.96Å; F828-I831 HydrophobicContact CD1-CD1 4.04Å; F828-I831 HydrophobicContact CE1-CD1 4.46Å; F828-I831 PolarHBondContact O-N 3.1Å; F828-E832 VanDerWaalsContact O-CG 3.26Å; F828-E832 WeakPolarHBondContact O-CG 3.4Å; F828-E832 PolarHBondContact O-N 3.35Å
829	A	74.5	Confident	60	Low	35 Å²	35	74.7 Å²	74.7	29%	0.289	39%	0.391	S	S	.	.	H	α-helix	trans	-63.1	-36.8	172.2	0	0	0	0	0	112.2	D826 E832 V833	D826-A829 HydrophobicContact CB-CB 3.89Å; D826-A829 WeakPolarHBondContact O-CB 3.35Å; D826-A829 PolarHBondContact O-N 2.95Å; D826-A829 VanDerWaalsContact O-N 3.07Å; D826-A829 PolarHBondContact OD1-N 2.72Å; D826-A829 WeakPolarHBondContact OD2-CB 3.35Å; A829-E832 PolarHBondContact O-N 2.88Å; A829-V833 WeakPolarHBondContact O-CG2 3.49Å; A829-V833 PolarHBondContact O-N 2.85Å; A829-V833 VanDerWaalsContact O-N 3.15Å
830	Q	69.3	Low	61.5	Low	89 Å²	89	73.1 Å²	73.1	42%	0.416	39%	0.386	S	S	.	.	H	α-helix	trans	-69.5	-40.7	174.5	-64.5	-177.5	1.5	0	0	112	D826 I827 F828 E832 V833 N834	D826-Q830 PolarHBondContact O-N 2.89Å; I827-Q830 WeakPolarHBondContact O-CB 3.37Å; I827-Q830 PolarHBondContact O-N 2.88Å; F828-Q830 VanDerWaalsContact C-N 3.3Å; F828-Q830 PolarHBondContact O-N 2.96Å; Q830-E832 VanDerWaalsContact C-N 3.29Å; Q830-E832 PolarHBondContact O-N 3.03Å; Q830-V833 PolarHBondContact O-N 2.86Å; Q830-N834 PolarHBondContact O-N 2.89Å; Q830-N834 VanDerWaalsContact O-N 3.09Å
831	I	75	Confident	62.8	Low	10 Å²	10	77.8 Å²	77.8	5%	0.051	41%	0.406	C	S	.	.	H	α-helix	trans	-57.5	-44.3	173.3	-70.1	164.5	0	0	0	110.1	Q227 Y230 L231 I827 F828 V833 N834 E835	Q227-I831 HydrophobicContact CB-CD1 4.14Å; Q227-I831 HydrophobicContact CG-CD1 3.79Å; Q227-I831 HydrophobicContact CG-CG1 4.16Å; Y230-I831 HydrophobicContact CD1-CG2 4.3Å; L231-I831 HydrophobicContact CD1-CG2 4.49Å; L231-I831 HydrophobicContact CD2-CG2 3.59Å; L231-I831 HydrophobicContact CG-CG2 3.99Å; I827-I831 HydrophobicContact CG2-CD1 3.92Å; I827-I831 HydrophobicContact CG2-CG1 4.4Å; I827-I831 VanDerWaalsContact O-CG1 3.28Å; I827-I831 WeakPolarHBondContact O-CG1 3.16Å; I827-I831 PolarHBondContact O-N 3.2Å; F828-I831 HydrophobicContact CD1-CD1 4.04Å; F828-I831 HydrophobicContact CE1-CD1 4.46Å; F828-I831 PolarHBondContact O-N 3.1Å; I831-V833 PolarHBondContact O-N 3.11Å; I831-N834 PolarHBondContact O-N 2.94Å; I831-E835 WeakPolarHBondContact O-CB 3.29Å; I831-E835 PolarHBondContact O-N 2.96Å
832	E	77.8	Confident	63.7	Low	42 Å²	42	74 Å²	74	20%	0.196	38%	0.384	C	S	.	.	H	α-helix	trans	-64.7	-38.4	178.7	-73	178.2	151.3	0	0	113.5	Y230 K234 F828 A829 Q830 N834 E835 R836	Y230-E832 HydrophobicContact CE1-CG 3.77Å; Y230-E832 PolarHBondContact OH-OE1 2.87Å; K234-E832 IonicContact NZ-OE1 3.78Å; F828-E832 VanDerWaalsContact O-CG 3.26Å; F828-E832 WeakPolarHBondContact O-CG 3.4Å; F828-E832 PolarHBondContact O-N 3.35Å; A829-E832 PolarHBondContact O-N 2.88Å; Q830-E832 VanDerWaalsContact C-N 3.29Å; Q830-E832 PolarHBondContact O-N 3.03Å; E832-N834 VanDerWaalsContact C-N 3.31Å; E832-N834 PolarHBondContact O-N 2.89Å; E832-E835 PolarHBondContact O-N 2.78Å; E832-R836 WeakPolarHBondContact O-CG 3.26Å; E832-R836 PolarHBondContact O-N 2.98Å
833	V	71.9	Confident	64.8	Low	80 Å²	80	71.8 Å²	71.8	49%	0.485	37%	0.37	S	S	.	.	H	α-helix	trans	-64.7	-39.1	175.2	171.6	0	0	0	0	110.9	A829 Q830 I831	A829-V833 WeakPolarHBondContact O-CG2 3.49Å; A829-V833 PolarHBondContact O-N 2.85Å; A829-V833 VanDerWaalsContact O-N 3.15Å; Q830-V833 PolarHBondContact O-N 2.86Å; I831-V833 PolarHBondContact O-N 3.11Å
834	N	66.4	Low	65.8	Low	77 Å²	77	70.7 Å²	70.7	41%	0.412	36%	0.355	S	S	.	.	H	α-helix	trans	-72.7	-39.3	176.4	-72	-23.5	0	0	0	112.1	Q830 I831 E832 R836 K837 V838	Q830-N834 PolarHBondContact O-N 2.89Å; Q830-N834 VanDerWaalsContact O-N 3.09Å; I831-N834 PolarHBondContact O-N 2.94Å; E832-N834 VanDerWaalsContact C-N 3.31Å; E832-N834 PolarHBondContact O-N 2.89Å; N834-R836 PolarHBondContact O-N 3.38Å; N834-K837 WeakPolarHBondContact O-CB 3.4Å; N834-K837 PolarHBondContact O-N 2.8Å; N834-K837 VanDerWaalsContact O-N 3.15Å; N834-V838 WeakPolarHBondContact O-CG2 3.47Å; N834-V838 PolarHBondContact O-N 3.29Å
835	E	71.3	Confident	66.2	Low	12 Å²	12	71.9 Å²	71.9	6%	0.056	36%	0.356	C	S	.	.	H	α-helix	trans	-57.4	-46.3	174.3	179.9	-107.1	141.3	0	0	111	L231 K234 I831 E832 K837 V838 R839	L231-E835 HydrophobicContact CD2-CB 3.65Å; L231-E835 HydrophobicContact CD2-CG 3.64Å; K234-E835 IonicContact NZ-OE2 3.37Å; K234-E835 PolarHBondContact NZ-OE2 3.25Å; I831-E835 WeakPolarHBondContact O-CB 3.29Å; I831-E835 PolarHBondContact O-N 2.96Å; E832-E835 PolarHBondContact O-N 2.78Å; E835-K837 PolarHBondContact O-N 3.46Å; E835-V838 CarbonylContact O-C 3.56Å; E835-V838 PolarHBondContact O-N 3.35Å; E835-V838 VanDerWaalsContact O-N 3.08Å; E835-R839 WeakPolarHBondContact O-CB 3.36Å; E835-R839 PolarHBondContact O-N 2.78Å; E835-R839 VanDerWaalsContact OE1-CD 3.31Å; E835-R839 WeakPolarHBondContact OE1-CD 3.37Å; E835-R839 IonicContact OE1-NH1 3.81Å
836	R	68.3	Low	66	Low	171 Å²	171	69.2 Å²	69.2	65%	0.645	34%	0.341	S	S	*	.	H	α-helix	trans	-54.9	-39.6	176.7	-75.6	177.5	-178.7	-175.2	1.6	112.7	E832 N834 Q840	E832-R836 WeakPolarHBondContact O-CG 3.26Å; E832-R836 PolarHBondContact O-N 2.98Å; N834-R836 PolarHBondContact O-N 3.38Å; R836-Q840 WeakPolarHBondContact O-CB 3.48Å; R836-Q840 WeakPolarHBondContact O-CG 3.46Å; R836-Q840 PolarHBondContact O-N 3.24Å
837	K	63.3	Low	65.1	Low	139 Å²	139	73.7 Å²	73.7	60%	0.604	36%	0.36	S	S	*	.	H	α-helix	trans	-70.5	-42.8	176.8	-67.9	178	-179.6	174.3	0	111.9	N834 E835 K841	N834-K837 WeakPolarHBondContact O-CB 3.4Å; N834-K837 PolarHBondContact O-N 2.8Å; N834-K837 VanDerWaalsContact O-N 3.15Å; E835-K837 PolarHBondContact O-N 3.46Å; K837-K841 WeakPolarHBondContact O-CB 3.39Å; K837-K841 PolarHBondContact O-N 2.01Å
838	V	60.1	Low	63.9	Low	84 Å²	84	80.9 Å²	80.9	51%	0.509	39%	0.391	S	S	.	.	H	α-helix	trans	-66.1	-44.7	177.9	174.5	0	0	0	0	110.8	N834 E835 K841 A842	N834-V838 WeakPolarHBondContact O-CG2 3.47Å; N834-V838 PolarHBondContact O-N 3.29Å; E835-V838 CarbonylContact O-C 3.56Å; E835-V838 PolarHBondContact O-N 3.35Å; E835-V838 VanDerWaalsContact O-N 3.08Å; V838-K841 CarbonylContact O-C 3.16Å; V838-K841 WeakPolarHBondContact O-CB 3.44Å; V838-K841 PolarHBondContact O-N 2.85Å; V838-K841 VanDerWaalsContact O-N 3.14Å; V838-A842 WeakPolarHBondContact O-CB 3.48Å; V838-A842 PolarHBondContact O-N 3.49Å
839	R	64.8	Low	62.1	Low	77 Å²	77	85 Å²	85	29%	0.291	41%	0.41	S	S	.	.	H	α-helix	trans	-61.7	-44.6	175.8	-178.9	173.9	175.9	176.5	4.6	112	Y193 E835 K841 A842 Q843	Y193-R839 HydrophobicContact CE1-CG 3.97Å; E835-R839 WeakPolarHBondContact O-CB 3.36Å; E835-R839 PolarHBondContact O-N 2.78Å; E835-R839 VanDerWaalsContact OE1-CD 3.31Å; E835-R839 WeakPolarHBondContact OE1-CD 3.37Å; E835-R839 IonicContact OE1-NH1 3.81Å; R839-K841 VanDerWaalsContact C-N 3.28Å; R839-K841 PolarHBondContact O-N 3.13Å; R839-A842 PolarHBondContact O-N 2.51Å; R839-Q843 HydrophobicContact CG-CG 4.28Å; R839-Q843 VanDerWaalsContact O-CB 3.26Å; R839-Q843 WeakPolarHBondContact O-CB 3.4Å; R839-Q843 VanDerWaalsContact O-CG 3.26Å; R839-Q843 WeakPolarHBondContact O-CG 2.94Å; R839-Q843 PolarHBondContact O-N 3.11Å
840	Q	65.1	Low	60.3	Low	130 Å²	130	90.8 Å²	90.8	61%	0.607	44%	0.435	S	S	*	.	H	α-helix	trans	-59.7	-41.1	173.1	-86.1	-178.5	-15.1	0	0	111.5	R836 T844	R836-Q840 WeakPolarHBondContact O-CB 3.48Å; R836-Q840 WeakPolarHBondContact O-CG 3.46Å; R836-Q840 PolarHBondContact O-N 3.24Å; Q840-T844 VanDerWaalsContact O-CB 3.28Å; Q840-T844 WeakPolarHBondContact O-CB 2.96Å; Q840-T844 PolarHBondContact O-N 3.44Å; Q840-T844 PolarHBondContact O-OG1 2.88Å
841	K	63.7	Low	59	Low	155 Å²	155	90 Å²	90	67%	0.674	44%	0.438	S	S	*	.	H	α-helix	trans	-66.1	-44.8	177.2	-166.9	-179.9	178.8	-174.1	0	112	K837 V838 R839 T844 Q845	K837-K841 WeakPolarHBondContact O-CB 3.39Å; K837-K841 PolarHBondContact O-N 2.01Å; V838-K841 CarbonylContact O-C 3.16Å; V838-K841 WeakPolarHBondContact O-CB 3.44Å; V838-K841 PolarHBondContact O-N 2.85Å; V838-K841 VanDerWaalsContact O-N 3.14Å; R839-K841 VanDerWaalsContact C-N 3.28Å; R839-K841 PolarHBondContact O-N 3.13Å; K841-T844 PolarHBondContact O-N 2.84Å; K841-Q845 WeakPolarHBondContact O-CB 3.42Å; K841-Q845 PolarHBondContact O-N 2.79Å
842	A	58.1	Low	57.5	Low	13 Å²	13	92.4 Å²	92.4	11%	0.107	45%	0.453	C	S	.	.	H	α-helix	trans	-65.2	-42.5	177	0	0	0	0	0	111.9	V838 R839 Q845 A846	V838-A842 WeakPolarHBondContact O-CB 3.48Å; V838-A842 PolarHBondContact O-N 3.49Å; R839-A842 PolarHBondContact O-N 2.51Å; A842-Q845 PolarHBondContact O-N 3.06Å; A842-A846 VanDerWaalsContact O-CB 3.27Å; A842-A846 WeakPolarHBondContact O-CB 3.48Å; A842-A846 PolarHBondContact O-N 3.29Å
843	Q	57.2	Low	55.9	Low	80 Å²	80	93.2 Å²	93.2	37%	0.374	46%	0.458	S	S	.	.	H	α-helix	trans	-65.6	-39.9	174.5	-75	178.8	-20.1	0	0	112	R839 Q845 A846 Q847	R839-Q843 HydrophobicContact CG-CG 4.28Å; R839-Q843 VanDerWaalsContact O-CB 3.26Å; R839-Q843 WeakPolarHBondContact O-CB 3.4Å; R839-Q843 VanDerWaalsContact O-CG 3.26Å; R839-Q843 WeakPolarHBondContact O-CG 2.94Å; R839-Q843 PolarHBondContact O-N 3.11Å; Q843-Q845 VanDerWaalsContact C-N 3.31Å; Q843-A846 PolarHBondContact O-N 2.95Å; Q843-Q847 VanDerWaalsContact O-CB 3.3Å; Q843-Q847 WeakPolarHBondContact O-CB 3.47Å; Q843-Q847 WeakPolarHBondContact O-CG 3.41Å; Q843-Q847 PolarHBondContact O-N 3.28Å
844	T	58.3	Low	54.8	Low	64 Å²	64	91.6 Å²	91.6	39%	0.393	45%	0.445	S	S	.	.	H	α-helix	trans	-66.8	-35.2	175.2	-54.9	0	0	0	0	111.2	Q840 K841 K848	Q840-T844 VanDerWaalsContact O-CB 3.28Å; Q840-T844 WeakPolarHBondContact O-CB 2.96Å; Q840-T844 PolarHBondContact O-N 3.44Å; Q840-T844 PolarHBondContact O-OG1 2.88Å; K841-T844 PolarHBondContact O-N 2.84Å; T844-K848 HydrophobicContact CG2-CD 4.45Å; T844-K848 WeakPolarHBondContact O-CB 3.19Å; T844-K848 VanDerWaalsContact O-CG 3.27Å; T844-K848 WeakPolarHBondContact O-CG 3.38Å; T844-K848 PolarHBondContact O-N 3.22Å; T844-K848 VanDerWaalsContact O-N 3.13Å
845	Q	53.9	Low	53.9	Low	87 Å²	87	89 Å²	89	41%	0.407	43%	0.431	S	S	.	.	H	α-helix	trans	-72	-44.1	175.8	-173.5	169.6	-10.9	0	0	111.6	K841 A842 Q843 Q847 K848 E849	K841-Q845 WeakPolarHBondContact O-CB 3.42Å; K841-Q845 PolarHBondContact O-N 2.79Å; A842-Q845 PolarHBondContact O-N 3.06Å; Q843-Q845 VanDerWaalsContact C-N 3.31Å; Q845-Q847 PolarHBondContact O-N 3.35Å; Q845-K848 PolarHBondContact O-N 3.36Å; Q845-E849 PolarHBondContact NE2-OE1 3.16Å; Q845-E849 PolarHBondContact O-N 2.93Å
846	A	50	Low	52.7	Low	25 Å²	25	94.8 Å²	94.8	21%	0.207	46%	0.458	C	S	.	.	H	α-helix	trans	-67.4	-17.4	173.7	0	0	0	0	0	113.8	R194 A842 Q843	R194-A846 HydrophobicContact CG-CB 4.47Å; A842-A846 VanDerWaalsContact O-CB 3.27Å; A842-A846 WeakPolarHBondContact O-CB 3.48Å; A842-A846 PolarHBondContact O-N 3.29Å; Q843-A846 PolarHBondContact O-N 2.95Å
847	Q	48.3	Very low	51.6	Low	154 Å²	154	90.7 Å²	90.7	72%	0.72	45%	0.446	S	S	*	.	H	α-helix	trans	-87.3	-21.4	169.3	-78.8	175.2	-3.7	0	0	113.1	Q843 Q845	Q843-Q847 VanDerWaalsContact O-CB 3.3Å; Q843-Q847 WeakPolarHBondContact O-CB 3.47Å; Q843-Q847 WeakPolarHBondContact O-CG 3.41Å; Q843-Q847 PolarHBondContact O-N 3.28Å; Q845-Q847 PolarHBondContact O-N 3.35Å
848	K	46.2	Very low	50.7	Low	171 Å²	171	85.4 Å²	85.4	74%	0.743	42%	0.424	S	S	*	.	H	α-helix	trans	-90.1	-34.9	177.9	-80.2	177.6	178.8	-175.5	0	112.3	T844 Q845 L850	T844-K848 HydrophobicContact CG2-CD 4.45Å; T844-K848 WeakPolarHBondContact O-CB 3.19Å; T844-K848 VanDerWaalsContact O-CG 3.27Å; T844-K848 WeakPolarHBondContact O-CG 3.38Å; T844-K848 PolarHBondContact O-N 3.22Å; T844-K848 VanDerWaalsContact O-N 3.13Å; Q845-K848 PolarHBondContact O-N 3.36Å; K848-L850 PolarHBondContact O-N 3.08Å
849	E	41.5	Very low	49.9	Very low	91 Å²	91	84.8 Å²	84.8	43%	0.425	41%	0.414	S	S	.	.	S	Bend	trans	-68.1	116.8	159.4	-69.9	166.8	-162.3	0	0	105.2	Q845	Q845-E849 PolarHBondContact NE2-OE1 3.16Å; Q845-E849 PolarHBondContact O-N 2.93Å
850	L	36.6	Very low	48.5	Very low	156 Å²	156	88.2 Å²	88.2	82%	0.817	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-48.2	132.8	168.2	-81.4	151.6	0	0	0	106.5	K848 V852	K848-L850 PolarHBondContact O-N 3.08Å; L850-V852 PolarHBondContact O-N 3.1Å
851	P	42.2	Very low	47.4	Very low	72 Å²	72	83.5 Å²	83.5	47%	0.468	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-51.1	120.2	175.1	21.1	-29.9	0	0	0	106.3	D853	P851-D853 PolarHBondContact O-N 3.37Å
852	V	42.6	Very low	46.2	Very low	60 Å²	60	80 Å²	80	36%	0.364	41%	0.405	S	S	.	.			trans	-51.1	113.7	170.6	171.9	0	0	0	0	104.6	L850 E854 E857	L850-V852 PolarHBondContact O-N 3.1Å; V852-E854 PolarHBondContact O-N 3.07Å; V852-E857 HydrophobicContact CG1-CB 4.42Å; V852-E857 HydrophobicContact CG1-CG 4.1Å; V852-E857 WeakPolarHBondContact CG1-OE2 3.4Å
853	D	45.3	Very low	45.1	Very low	59 Å²	59	84 Å²	84	32%	0.316	43%	0.425	S	S	.	.			trans	-71.1	90.4	174.8	-173.8	8.7	0	0	0	105.3	P851 E855 E856 E857	P851-D853 PolarHBondContact O-N 3.37Å; D853-E855 PolarHBondContact O-N 3.05Å; D853-E855 WeakPolarHBondContact OD1-CB 3.38Å; D853-E855 PolarHBondContact OD1-N 3.04Å; D853-E856 HydrophobicContact CB-CB 4.02Å; D853-E856 WeakPolarHBondContact O-CA 3.32Å; D853-E856 PolarHBondContact O-N 3.34Å; D853-E857 PolarHBondContact O-N 3.33Å
854	E	48.6	Very low	44.2	Very low	46 Å²	46	83 Å²	83	22%	0.215	42%	0.419	C	S	.	.	H	α-helix	trans	-53.7	-25.2	178.8	-71.2	172.9	175.8	0	0	110.1	G196 V852 M858	G196-E854 PolarHBondContact N-OE1 2.75Å; V852-E854 PolarHBondContact O-N 3.07Å; E854-M858 HydrophobicContact CB-SD 4.43Å; E854-M858 WeakPolarHBondContact O-CB 3.23Å; E854-M858 WeakPolarHBondContact O-CG 3.28Å; E854-M858 PolarHBondContact O-N 2.98Å
855	E	47.4	Very low	42.9	Very low	23 Å²	23	82.1 Å²	82.1	11%	0.107	42%	0.419	C	S	.	.	H	α-helix	trans	-75.4	-27.6	173.1	-76.4	171.1	-150.7	0	0	114	Y513 K514 D853 K859	Y513-E855 WeakPolarHBondContact CE1-OE1 3.25Å; Y513-E855 VanDerWaalsContact CZ-OE1 3.28Å; Y513-E855 PolarHBondContact OH-OE1 2.9Å; K514-E855 WeakPolarHBondContact CD-OE1 3.25Å; K514-E855 WeakPolarHBondContact CE-OE1 3.24Å; K514-E855 IonicContact NZ-OE1 2.76Å; K514-E855 PolarHBondContact NZ-OE1 3.32Å; D853-E855 PolarHBondContact O-N 3.05Å; D853-E855 WeakPolarHBondContact OD1-CB 3.38Å; D853-E855 PolarHBondContact OD1-N 3.04Å; E855-K859 WeakPolarHBondContact O-CE 3.22Å; E855-K859 VanDerWaalsContact O-CG 3.22Å; E855-K859 WeakPolarHBondContact O-CG 3.36Å
856	E	45.2	Very low	41.9	Very low	133 Å²	133	84.2 Å²	84.2	62%	0.621	43%	0.433	S	S	*	.	H	α-helix	trans	-82.5	-39.5	173.2	-109.6	-169.4	165	0	0	111.6	D853	D853-E856 HydrophobicContact CB-CB 4.02Å; D853-E856 WeakPolarHBondContact O-CA 3.32Å; D853-E856 PolarHBondContact O-N 3.34Å
857	E	46.1	Very low	41	Very low	86 Å²	86	87 Å²	87	40%	0.402	44%	0.444	S	S	.	.	H	α-helix	trans	-81.4	-24	-178.7	-74.6	-170.8	-177.9	0	0	113.9	W146 V852 D853 K859	W146-E857 PolarHBondContact NE1-OE2 3.46Å; V852-E857 HydrophobicContact CG1-CB 4.42Å; V852-E857 HydrophobicContact CG1-CG 4.1Å; V852-E857 WeakPolarHBondContact CG1-OE2 3.4Å; D853-E857 PolarHBondContact O-N 3.33Å; E857-K859 VanDerWaalsContact C-N 3.35Å
858	M	44	Very low	40	Very low	28 Å²	28	86 Å²	86	14%	0.138	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-84.5	-2.2	175.2	-67.7	177.1	76.8	0	0	114.2	W510 E854 D860 L861	W510-M858 HydrophobicContact CZ2-CE 3.48Å; W510-M858 VanDerWaalsContact CZ2-CE 3.48Å; W510-M858 HydrophobicContact CZ2-SD 4.08Å; W510-M858 PolarHBondContact NE1-SD 3.36Å; E854-M858 HydrophobicContact CB-SD 4.43Å; E854-M858 WeakPolarHBondContact O-CB 3.23Å; E854-M858 WeakPolarHBondContact O-CG 3.28Å; E854-M858 PolarHBondContact O-N 2.98Å; M858-D860 PolarHBondContact O-N 2.91Å; M858-L861 HydrophobicContact CB-CD1 3.78Å; M858-L861 HydrophobicContact CE-CD1 3.95Å; M858-L861 HydrophobicContact CG-CD1 3.58Å; M858-L861 PolarHBondContact O-N 2.87Å
859	K	42.5	Very low	39.1	Very low	70 Å²	70	86.8 Å²	86.8	30%	0.304	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-61.2	-28.4	172	-67.4	-174.2	175.4	177.1	0	112.3	S507 E855 E857 L861	S507-K859 WeakPolarHBondContact O-CD 3.35Å; S507-K859 VanDerWaalsContact O-CG 3.27Å; S507-K859 WeakPolarHBondContact O-CG 3.46Å; S507-K859 PolarHBondContact OG-NZ 3.34Å; E855-K859 WeakPolarHBondContact O-CE 3.22Å; E855-K859 VanDerWaalsContact O-CG 3.22Å; E855-K859 WeakPolarHBondContact O-CG 3.36Å; E857-K859 VanDerWaalsContact C-N 3.35Å; K859-L861 VanDerWaalsContact C-N 3.34Å; K859-L861 PolarHBondContact O-N 2.77Å
860	D	35.1	Very low	38.4	Very low	150 Å²	150	87.8 Å²	87.8	80%	0.802	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-83.8	-2.3	-177.7	-72.1	-16	0	0	0	114.1	M858 L862	M858-D860 PolarHBondContact O-N 2.91Å; D860-L862 VanDerWaalsContact C-N 3.28Å; D860-L862 PolarHBondContact O-N 2.83Å
861	L	43.5	Very low	37.9	Very low	30 Å²	30	88.8 Å²	88.8	16%	0.157	46%	0.457	C	S	.	.			trans	-83.8	16	-175.4	-76.4	165.8	0	0	0	115	D143 A144 M858 K859 D863 F864	D143-L861 VanDerWaalsContact O-CD2 3.3Å; D143-L861 WeakPolarHBondContact O-CD2 3.34Å; A144-L861 HydrophobicContact CB-CD2 4.13Å; M858-L861 HydrophobicContact CB-CD1 3.78Å; M858-L861 HydrophobicContact CE-CD1 3.95Å; M858-L861 HydrophobicContact CG-CD1 3.58Å; M858-L861 PolarHBondContact O-N 2.87Å; K859-L861 VanDerWaalsContact C-N 3.34Å; K859-L861 PolarHBondContact O-N 2.77Å; L861-D863 PolarHBondContact O-N 2.87Å; L861-F864 HydrophobicContact CD2-CD2 4.2Å; L861-F864 HydrophobicContact CD2-CE2 3.54Å
862	L	38.8	Very low	37.1	Very low	82 Å²	82	93 Å²	93	43%	0.429	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.8	19.9	-177.5	-77	169.1	0	0	0	115.3	R637 G638 Y639 D860	R637-L862 CarbonylContact C-O 3.5Å; R637-L862 CarbonylContact O-C 3.04Å; G638-L862 PolarHBondContact N-O 2.98Å; Y639-L862 HydrophobicContact CE2-CD2 4.11Å; D860-L862 VanDerWaalsContact C-N 3.28Å; D860-L862 PolarHBondContact O-N 2.83Å
863	D	33.4	Very low	36.3	Very low	96 Å²	96	99.9 Å²	99.9	51%	0.513	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.9	5.8	-171.7	-107.3	-5.8	0	0	0	116.3	R637 L861 A865	R637-D863 WeakPolarHBondContact CD-OD1 3.43Å; R637-D863 IonicContact CZ-OD1 3.73Å; R637-D863 IonicContact NE-OD1 2.92Å; R637-D863 PolarHBondContact NE-OD1 3.18Å; R637-D863 VanDerWaalsContact NH1-CG 3.29Å; R637-D863 IonicContact NH1-OD1 3.88Å; R637-D863 PolarHBondContact NH1-OD1 2.81Å; R637-D863 IonicContact NH1-OD2 2.85Å; R637-D863 PolarHBondContact NH1-OD2 3.27Å; L861-D863 PolarHBondContact O-N 2.87Å; D863-A865 PolarHBondContact O-N 3.28Å
864	F	38.1	Very low	35.5	Very low	59 Å²	59	103.4 Å²	103.4	26%	0.259	52%	0.519	S	S	.	.			trans	-87.2	94.7	176.8	-70.5	-79.6	0	0	0	115.2	V141 D143 G638 L861	V141-F864 HydrophobicContact CG1-CE1 3.92Å; V141-F864 HydrophobicContact CG1-CZ 4Å; D143-F864 HydrophobicContact CB-CZ 4.13Å; G638-F864 CarbonylContact C-O 3.14Å; G638-F864 VanDerWaalsContact CA-C 3.45Å; G638-F864 WeakPolarHBondContact CA-O 3.42Å; L861-F864 HydrophobicContact CD2-CD2 4.2Å; L861-F864 HydrophobicContact CD2-CE2 3.54Å
865	A	32	Very low	34.3	Very low	47 Å²	47	104.4 Å²	104.4	39%	0.388	54%	0.542	S	S	.	.			trans	-140.1	139.4	153.1	0	0	0	0	0	110.8	D863 I867	D863-A865 PolarHBondContact O-N 3.28Å; A865-I867 PolarHBondContact O-N 2.95Å
866	D	32.1	Very low	33.3	Very low	130 Å²	130	110.6 Å²	110.6	70%	0.695	58%	0.581	S	S	*	*			trans	-59.9	119.9	178.1	-112.1	-28.3	0	0	0	110.9	T868	D866-T868 PolarHBondContact O-N 2.77Å
867	I	30.9	Very low	32.3	Very low	85 Å²	85	108.9 Å²	108.9	44%	0.436	58%	0.584	S	S	.	*			trans	-85.4	99.2	171.9	-53	173.9	0	0	0	108.1	A865 Y869	A865-I867 PolarHBondContact O-N 2.95Å; I867-Y869 VanDerWaalsContact C-N 3.32Å; I867-Y869 HydrophobicContact CB-CD2 4.42Å; I867-Y869 HydrophobicContact CG2-CD2 3.3Å; I867-Y869 HydrophobicContact CG2-CE2 3.68Å; I867-Y869 HydrophobicContact CG2-CG 4.19Å; I867-Y869 PolarHBondContact O-N 2.61Å
868	T	28.5	Very low	31.3	Very low	131 Å²	131	113 Å²	113	80%	0.804	61%	0.607	S	S	*	*			trans	-70.3	88.3	160.8	34.4	0	0	0	0	109.5	D866 V870	D866-T868 PolarHBondContact O-N 2.77Å; T868-V870 PolarHBondContact O-N 2.65Å
869	Y	27	Very low	30.4	Very low	189 Å²	189	121.2 Å²	121.2	74%	0.741	64%	0.642	S	S	*	*			trans	-78.3	91.1	166.3	-106.5	-75.5	0	0	0	109.4	I867 K871	I867-Y869 VanDerWaalsContact C-N 3.32Å; I867-Y869 HydrophobicContact CB-CD2 4.42Å; I867-Y869 HydrophobicContact CG2-CD2 3.3Å; I867-Y869 HydrophobicContact CG2-CE2 3.68Å; I867-Y869 HydrophobicContact CG2-CG 4.19Å; I867-Y869 PolarHBondContact O-N 2.61Å; Y869-K871 PolarHBondContact O-N 3.13Å
870	V	26.2	Very low	29.6	Very low	111 Å²	111	121.6 Å²	121.6	67%	0.673	67%	0.666	S	S	*	*			trans	-85	94.9	156.7	-179.3	0	0	0	0	107.3	T868 H872	T868-V870 PolarHBondContact O-N 2.65Å; V870-H872 PolarHBondContact O-N 3.04Å
871	K	26.2	Very low	29.1	Very low	177 Å²	177	126.3 Å²	126.3	77%	0.77	67%	0.672	S	S	*	*			trans	-70	94.5	166.1	-108.4	-177.4	179.8	173.6	0	108.1	Y869 K873	Y869-K871 PolarHBondContact O-N 3.13Å; K871-K873 PolarHBondContact O-N 3.43Å
872	H	25.1	Very low	28.2	Very low	162 Å²	162	130.5 Å²	130.5	75%	0.75	70%	0.704	S	S	*	*			trans	-64.8	98.7	160.6	-86.7	-69.8	0	0	0	108.9	V870 T874	V870-H872 PolarHBondContact O-N 3.04Å; H872-T874 PolarHBondContact O-N 2.59Å
873	K	26.2	Very low	27.6	Very low	203 Å²	203	130.2 Å²	130.2	88%	0.883	72%	0.721	S	S	*	*			trans	-77	93.8	157.9	-92.6	-175.8	173.3	179.3	0	107.5	K871	K871-K873 PolarHBondContact O-N 3.43Å
874	T	27.7	Very low	27.2	Very low	133 Å²	133	134.2 Å²	134.2	82%	0.816	74%	0.741	S	S	*	*			trans	-80.7	119	164.5	43.1	0	0	0	0	109.7	H872	H872-T874 PolarHBondContact O-N 2.59Å
875	G	24.9	Very low	26.5	Very low	67 Å²	67	135.7 Å²	135.7	69%	0.691	76%	0.764	S	S	*	*			trans	-164.6	98.9	162.8	0	0	0	0	0	109.1
876	V	25.6	Very low	26.2	Very low	153 Å²	153	142.7 Å²	142.7	93%	0.927	79%	0.789	S	S	*	*				-176.7	135.3	108.7	165.4	0	0	0	0	108.8
877	S	23.4	Very low	25.7	Very low	98 Å²	98	145.4 Å²	145.4	69%	0.685	80%	0.8	S	S	*	*			trans	-54.3	139.6	-176.9	176	0	0	0	0	117.3
878	I	26.5	Very low	25.5	Very low	172 Å²	172	147.7 Å²	147.7	88%	0.882	82%	0.817	S	S	*	*			trans	-137.8	130.1	140.4	-60.9	-174.9	0	0	0	109.7
879	K	24.2	Very low	25.3	Very low	201 Å²	201	147.6 Å²	147.6	87%	0.874	82%	0.817	S	S	*	*			trans	-65	144.6	-175.5	-79.2	167.6	166.7	171.5	0	114.5
880	G	25.3	Very low	25.2	Very low	78 Å²	78	145.4 Å²	145.4	80%	0.804	82%	0.823	S	S	*	*			trans	-170.5	113.3	158.6	0	0	0	0	0	112.8
881	R	26.4	Very low	25.2	Very low	249 Å²	249	144.9 Å²	144.9	94%	0.94	83%	0.83	S	S	*	*			trans	-52.8	161.4	169.6	-75.3	168.7	169.3	174.2	-5.1	111.8
882	S	24.2	Very low	25.3	Very low	118 Å²	118	148.4 Å²	148.4	83%	0.825	84%	0.839	S	S	*	*			cis	-177.2	159.5	4.8	45.6	0	0	0	0	108.1
883	G	25.5	Very low	25.4	Very low	76 Å²	76	146.1 Å²	146.1	78%	0.784	84%	0.841	S	S	*	*			trans	117.7	81	154.5	0	0	0	0	0	115.6
884	L	24.2	Very low	25.9	Very low	179 Å²	179	142 Å²	142	94%	0.937	84%	0.838	S	S	*	*				80.9	100.3	84.5	-150.4	130.9	0	0	0	114.6
885	A	24.7	Very low	26.5	Very low	90 Å²	90	140 Å²	140	74%	0.744	84%	0.835	S	S	*	*			trans	-169.3	113.8	144.1	0	0	0	0	0	112.3
886	Q	24.6	Very low	27.3	Very low	194 Å²	194	142 Å²	142	91%	0.907	84%	0.836	S	S	*	*			trans	55	102.9	149	-79.3	168	-32.5	0	0	122
887	M	23	Very low	28.3	Very low	187 Å²	187	139.4 Å²	139.4	92%	0.921	82%	0.824	S	S	*	*			trans	-78.1	138.1	143.8	-85.9	177.9	150.2	0	0	109.8
888	V	25.4	Very low	29.3	Very low	133 Å²	133	140.9 Å²	140.9	81%	0.806	82%	0.823	S	S	*	*			trans	-164.6	115	134.6	158.4	0	0	0	0	110.2
889	T	24.2	Very low	30.5	Very low	129 Å²	129	136.4 Å²	136.4	79%	0.791	81%	0.807	S	S	*	*			trans	53.4	105.5	149.4	60	0	0	0	0	122.2
890	T	25.2	Very low	31.7	Very low	143 Å²	143	128.6 Å²	128.6	88%	0.877	78%	0.78	S	S	*	*			trans	-74.4	124.3	153	45.1	0	0	0	0	111.3
891	A	27.1	Very low	33.1	Very low	100 Å²	100	128.6 Å²	128.6	83%	0.826	77%	0.768	S	S	*	*			trans	-67.1	131	167.7	0	0	0	0	0	110.7	S893	A891-S893 PolarHBondContact O-N 2.86Å
892	R	27.2	Very low	34.4	Very low	252 Å²	252	125.1 Å²	125.1	95%	0.951	76%	0.756	S	S	*	*			trans	-64	113	170.9	-79.2	173.8	167.4	167.5	-4.5	109.7
893	S	27.8	Very low	35.9	Very low	114 Å²	114	122.1 Å²	122.1	80%	0.797	73%	0.733	S	S	*	*			trans	-80.5	120.7	163.1	58.4	0	0	0	0	109.7	A891 A895	A891-S893 PolarHBondContact O-N 2.86Å; S893-A895 PolarHBondContact O-N 3.07Å
894	S	37.8	Very low	37.3	Very low	117 Å²	117	126.5 Å²	126.5	82%	0.818	73%	0.726	S	S	*	*			trans	-61.9	110.6	174.6	47.4	0	0	0	0	112.8
895	A	38.9	Very low	39	Very low	90 Å²	90	122.7 Å²	122.7	74%	0.744	71%	0.706	S	S	*	*			trans	-147.4	81.3	160.6	0	0	0	0	0	111.2	S893	S893-A895 PolarHBondContact O-N 3.07Å
896	P	42.1	Very low	40.7	Very low	109 Å²	109	124.8 Å²	124.8	71%	0.708	70%	0.698	S	S	*	*	S	Bend	trans	-128.8	2.9	152.5	12	10.7	0	0	0	114.7
897	S	46.7	Very low	42.3	Very low	98 Å²	98	118.1 Å²	118.1	69%	0.685	67%	0.669	S	S	*	*	S	Bend	trans	-94.5	-4.6	-172	63.2	0	0	0	0	116.2
898	I	45.3	Very low	44.4	Very low	129 Å²	129	114.6 Å²	114.6	66%	0.662	65%	0.652	S	S	*	*	S	Bend	trans	-96.3	-32.5	-174.4	-60.1	174.8	0	0	0	112.8	S901 Y902	I898-S901 PolarHBondContact O-N 2.83Å; I898-Y902 PolarHBondContact O-N 2.89Å
899	S	51	Low	46.1	Very low	79 Å²	79	113 Å²	113	55%	0.552	64%	0.639	S	S	*	*	H	α-helix	trans	-70.6	-40.1	-178.8	70.8	0	0	0	0	112.5	S901 Y902 T903	S899-S901 VanDerWaalsContact C-N 3.25Å; S899-S901 PolarHBondContact O-N 3.21Å; S899-Y902 PolarHBondContact O-N 2.79Å; S899-T903 PolarHBondContact O-N 2.95Å; S899-T903 VanDerWaalsContact O-N 3.1Å; S899-T903 PolarHBondContact O-OG1 2.85Å
900	A	48.6	Very low	47.7	Very low	36 Å²	36	110.4 Å²	110.4	30%	0.298	62%	0.62	S	S	.	*	H	α-helix	trans	-65.5	-27.1	179.8	0	0	0	0	0	113.3	R904	A900-R904 WeakPolarHBondContact O-CG 3.31Å; A900-R904 PolarHBondContact O-N 2.88Å
901	S	55.3	Low	49.6	Very low	79 Å²	79	106 Å²	106	55%	0.552	59%	0.591	S	S	*	*	H	α-helix	trans	-72.2	-43.9	175.1	173.8	0	0	0	0	111.5	I898 S899 R904 L905	I898-S901 PolarHBondContact O-N 2.83Å; S899-S901 VanDerWaalsContact C-N 3.25Å; S899-S901 PolarHBondContact O-N 3.21Å; S901-R904 PolarHBondContact O-N 2.69Å; S901-L905 PolarHBondContact O-N 3.06Å
902	Y	53.1	Low	51.5	Low	175 Å²	175	103.7 Å²	103.7	69%	0.686	57%	0.572	S	S	*	*	H	α-helix	trans	-68.2	-41.5	-178.3	-134.6	-90.1	0	0	0	112.2	I898 S899 R904 L905 F906	I898-Y902 PolarHBondContact O-N 2.89Å; S899-Y902 PolarHBondContact O-N 2.79Å; Y902-R904 VanDerWaalsContact C-N 3.33Å; Y902-R904 PolarHBondContact O-N 2.92Å; Y902-L905 PolarHBondContact O-N 2.81Å; Y902-F906 WeakPolarHBondContact O-CB 3.38Å; Y902-F906 PolarHBondContact O-N 3.15Å
903	T	55.5	Low	53	Low	56 Å²	56	95.9 Å²	95.9	34%	0.344	55%	0.548	S	S	.	.	H	α-helix	trans	-64.4	-37.9	178.2	-45.9	0	0	0	0	111.8	S899 L907	S899-T903 PolarHBondContact O-N 2.95Å; S899-T903 VanDerWaalsContact O-N 3.1Å; S899-T903 PolarHBondContact O-OG1 2.85Å; T903-L907 HydrophobicContact CG2-CD1 4.41Å; T903-L907 PolarHBondContact O-N 2.81Å
904	R	55.7	Low	54.8	Low	167 Å²	167	92.5 Å²	92.5	63%	0.63	52%	0.519	S	S	*	.	H	α-helix	trans	-68.9	-42.5	175.8	-74.4	178.9	-176.6	-156.3	0.4	112.2	A900 S901 Y902 F906 L907 I908	A900-R904 WeakPolarHBondContact O-CG 3.31Å; A900-R904 PolarHBondContact O-N 2.88Å; S901-R904 PolarHBondContact O-N 2.69Å; Y902-R904 VanDerWaalsContact C-N 3.33Å; Y902-R904 PolarHBondContact O-N 2.92Å; R904-F906 VanDerWaalsContact C-N 3.34Å; R904-L907 PolarHBondContact O-N 2.9Å; R904-I908 VanDerWaalsContact O-CG1 3.27Å; R904-I908 WeakPolarHBondContact O-CG1 3.27Å; R904-I908 PolarHBondContact O-N 2.82Å
905	L	61	Low	56.2	Low	100 Å²	100	92.9 Å²	92.9	52%	0.524	51%	0.506	S	S	.	.	H	α-helix	trans	-63.5	-42.6	176.6	-168.7	70.5	0	0	0	111.2	S901 Y902 I908 L909	S901-L905 PolarHBondContact O-N 3.06Å; Y902-L905 PolarHBondContact O-N 2.81Å; L905-I908 PolarHBondContact O-N 3.13Å; L905-L909 PolarHBondContact O-N 2.63Å
906	F	59.7	Low	57.4	Low	134 Å²	134	92.8 Å²	92.8	59%	0.588	50%	0.496	S	S	*	.	H	α-helix	trans	-61.1	-44	176.1	-178.4	-97.6	0	0	0	112.3	Y902 R904 L909 N910	Y902-F906 WeakPolarHBondContact O-CB 3.38Å; Y902-F906 PolarHBondContact O-N 3.15Å; R904-F906 VanDerWaalsContact C-N 3.34Å; F906-L909 PolarHBondContact O-N 2.81Å; F906-N910 WeakPolarHBondContact CE1-ND2 3.19Å; F906-N910 WeakPolarHBondContact CE2-ND2 3.4Å; F906-N910 VanDerWaalsContact CZ-ND2 3.27Å; F906-N910 WeakPolarHBondContact CZ-ND2 3.46Å; F906-N910 PolarHBondContact O-N 3.44Å; F906-N910 VanDerWaalsContact O-N 3.08Å; F906-N910 PolarHBondContact O-ND2 3.32Å
907	L	58.8	Low	58.2	Low	54 Å²	54	92.9 Å²	92.9	28%	0.283	49%	0.488	S	S	.	.	H	α-helix	trans	-65.2	-43.7	177.1	-112.1	103.4	0	0	0	112.2	T903 R904 L909 N910 I911	T903-L907 HydrophobicContact CG2-CD1 4.41Å; T903-L907 PolarHBondContact O-N 2.81Å; R904-L907 PolarHBondContact O-N 2.9Å; L907-L909 VanDerWaalsContact C-N 3.32Å; L907-L909 PolarHBondContact O-N 2.9Å; L907-N910 PolarHBondContact O-N 2.95Å; L907-I911 HydrophobicContact CD2-CD1 4.4Å; L907-I911 WeakPolarHBondContact O-CB 3.34Å; L907-I911 VanDerWaalsContact O-CG1 3.24Å; L907-I911 WeakPolarHBondContact O-CG1 3.46Å; L907-I911 PolarHBondContact O-N 3.14Å
908	I	66.8	Low	59.1	Low	112 Å²	112	89.7 Å²	89.7	57%	0.574	46%	0.463	S	S	*	.	H	α-helix	trans	-61.5	-43.1	178.7	-69.1	167	0	0	0	110.5	R904 L905 I911 A912	R904-I908 VanDerWaalsContact O-CG1 3.27Å; R904-I908 WeakPolarHBondContact O-CG1 3.27Å; R904-I908 PolarHBondContact O-N 2.82Å; L905-I908 PolarHBondContact O-N 3.13Å; I908-I911 PolarHBondContact O-N 3.31Å; I908-A912 WeakPolarHBondContact O-CB 3.45Å; I908-A912 PolarHBondContact O-N 3.5Å
909	L	60.7	Low	60.1	Low	100 Å²	100	86 Å²	86	52%	0.524	45%	0.452	S	S	.	.	H	α-helix	trans	-63.7	-44.4	178.8	-127.8	99.1	0	0	0	111.9	L905 F906 L907 A912 I913	L905-L909 PolarHBondContact O-N 2.63Å; F906-L909 PolarHBondContact O-N 2.81Å; L907-L909 VanDerWaalsContact C-N 3.32Å; L907-L909 PolarHBondContact O-N 2.9Å; L909-A912 PolarHBondContact O-N 3.48Å; L909-I913 HydrophobicContact CD2-CD1 4.35Å; L909-I913 WeakPolarHBondContact O-CD1 3.38Å; L909-I913 VanDerWaalsContact O-CG1 3.28Å; L909-I913 WeakPolarHBondContact O-CG1 3.4Å; L909-I913 PolarHBondContact O-N 2.82Å
910	N	57.9	Low	60.5	Low	75 Å²	75	88.3 Å²	88.3	40%	0.401	46%	0.456	S	S	.	.	H	α-helix	trans	-67.3	-38.6	179.7	-81.8	-79.5	0	0	0	112.3	F906 L907 I913 F914	F906-N910 WeakPolarHBondContact CE1-ND2 3.19Å; F906-N910 WeakPolarHBondContact CE2-ND2 3.4Å; F906-N910 VanDerWaalsContact CZ-ND2 3.27Å; F906-N910 WeakPolarHBondContact CZ-ND2 3.46Å; F906-N910 PolarHBondContact O-N 3.44Å; F906-N910 VanDerWaalsContact O-N 3.08Å; F906-N910 PolarHBondContact O-ND2 3.32Å; L907-N910 PolarHBondContact O-N 2.95Å; N910-I913 PolarHBondContact O-N 3.28Å; N910-F914 WeakPolarHBondContact O-CB 3.49Å; N910-F914 PolarHBondContact O-N 2.98Å
911	I	64.8	Low	61.1	Low	51 Å²	51	90.5 Å²	90.5	26%	0.262	46%	0.46	S	S	.	.	H	α-helix	trans	-63.5	-43.2	173.9	-69.3	167.4	0	0	0	110.4	L907 I908 F914 F915	L907-I911 HydrophobicContact CD2-CD1 4.4Å; L907-I911 WeakPolarHBondContact O-CB 3.34Å; L907-I911 VanDerWaalsContact O-CG1 3.24Å; L907-I911 WeakPolarHBondContact O-CG1 3.46Å; L907-I911 PolarHBondContact O-N 3.14Å; I908-I911 PolarHBondContact O-N 3.31Å; I911-F914 PolarHBondContact O-N 3.27Å; I911-F915 HydrophobicContact CG2-CD2 3.78Å; I911-F915 HydrophobicContact CG2-CE2 3.61Å; I911-F915 VanDerWaalsContact O-CD2 3.22Å; I911-F915 WeakPolarHBondContact O-CD2 3.38Å; I911-F915 PolarHBondContact O-N 2.92Å
912	A	65.9	Low	61.4	Low	51 Å²	51	90.1 Å²	90.1	42%	0.421	45%	0.451	S	S	.	.	H	α-helix	trans	-62.8	-44.6	177.2	0	0	0	0	0	112.1	I908 L909 F914 F915 V916	I908-A912 WeakPolarHBondContact O-CB 3.45Å; I908-A912 PolarHBondContact O-N 3.5Å; L909-A912 PolarHBondContact O-N 3.48Å; A912-F914 VanDerWaalsContact C-N 3.31Å; A912-F914 PolarHBondContact O-N 3.45Å; A912-F915 PolarHBondContact O-N 3.43Å; A912-V916 WeakPolarHBondContact O-CG2 3.38Å; A912-V916 PolarHBondContact O-N 3.05Å
913	I	60.2	Low	61.9	Low	88 Å²	88	86.4 Å²	86.4	45%	0.451	45%	0.447	S	S	.	.	H	α-helix	trans	-61.7	-41.2	176.7	-69.8	162.4	0	0	0	110.8	L909 N910 F915 V916 M917	L909-I913 HydrophobicContact CD2-CD1 4.35Å; L909-I913 WeakPolarHBondContact O-CD1 3.38Å; L909-I913 VanDerWaalsContact O-CG1 3.28Å; L909-I913 WeakPolarHBondContact O-CG1 3.4Å; L909-I913 PolarHBondContact O-N 2.82Å; N910-I913 PolarHBondContact O-N 3.28Å; I913-F915 PolarHBondContact O-N 3.44Å; I913-V916 PolarHBondContact O-N 3.01Å; I913-M917 HydrophobicContact CG2-CG 4.27Å; I913-M917 WeakPolarHBondContact O-CB 3.43Å; I913-M917 VanDerWaalsContact O-CG 3.26Å; I913-M917 WeakPolarHBondContact O-CG 3.4Å; I913-M917 PolarHBondContact O-N 3.44Å
914	F	65.1	Low	61.8	Low	43 Å²	43	92.8 Å²	92.8	19%	0.189	47%	0.466	C	S	.	.	H	α-helix	trans	-59.8	-46.7	176.1	178.7	-95.8	0	0	0	111.9	N910 I911 A912 V916 M917 L918 D944 L948	N910-F914 WeakPolarHBondContact O-CB 3.49Å; N910-F914 PolarHBondContact O-N 2.98Å; I911-F914 PolarHBondContact O-N 3.27Å; A912-F914 VanDerWaalsContact C-N 3.31Å; A912-F914 PolarHBondContact O-N 3.45Å; F914-V916 VanDerWaalsContact C-N 3.33Å; F914-V916 PolarHBondContact O-N 2.98Å; F914-M917 PolarHBondContact O-N 3Å; F914-L918 HydrophobicContact CE1-CD2 4.39Å; F914-L918 VanDerWaalsContact O-CB 3.28Å; F914-L918 WeakPolarHBondContact O-CB 3.28Å; F914-L918 PolarHBondContact O-N 3.27Å; F914-D944 HydrophobicContact CE2-CB 3.92Å; F914-D944 HydrophobicContact CZ-CB 3.89Å; F914-L948 HydrophobicContact CD1-CD1 3.47Å; F914-L948 VanDerWaalsContact CD1-CD1 3.47Å; F914-L948 HydrophobicContact CD2-CD1 4.03Å; F914-L948 HydrophobicContact CE1-CD1 3.5Å; F914-L948 HydrophobicContact CE2-CD1 4.06Å; F914-L948 HydrophobicContact CG-CD1 3.74Å; F914-L948 HydrophobicContact CZ-CD1 3.81Å
915	F	66.9	Low	61.9	Low	125 Å²	125	88.4 Å²	88.4	55%	0.548	45%	0.452	S	S	.	.	H	α-helix	trans	-65.6	-34.1	178.2	-80.8	-67.8	0	0	0	113.3	I911 A912 I913 L918 A919	I911-F915 HydrophobicContact CG2-CD2 3.78Å; I911-F915 HydrophobicContact CG2-CE2 3.61Å; I911-F915 VanDerWaalsContact O-CD2 3.22Å; I911-F915 WeakPolarHBondContact O-CD2 3.38Å; I911-F915 PolarHBondContact O-N 2.92Å; A912-F915 PolarHBondContact O-N 3.43Å; I913-F915 PolarHBondContact O-N 3.44Å; F915-L918 HydrophobicContact CD1-CD2 4.16Å; F915-L918 HydrophobicContact CE1-CD2 4.44Å; F915-A919 WeakPolarHBondContact O-CB 3.44Å; F915-A919 PolarHBondContact O-N 2.93Å
916	V	65.1	Low	61.6	Low	88 Å²	88	91.8 Å²	91.8	53%	0.533	47%	0.465	S	S	.	.	H	α-helix	trans	-66.4	-46.3	173.8	172.1	0	0	0	0	110.8	A912 I913 F914 L918 A919 M920	A912-V916 WeakPolarHBondContact O-CG2 3.38Å; A912-V916 PolarHBondContact O-N 3.05Å; I913-V916 PolarHBondContact O-N 3.01Å; F914-V916 VanDerWaalsContact C-N 3.33Å; F914-V916 PolarHBondContact O-N 2.98Å; V916-L918 VanDerWaalsContact C-N 3.32Å; V916-L918 PolarHBondContact O-N 3.19Å; V916-A919 PolarHBondContact O-N 3.42Å; V916-M920 HydrophobicContact CG1-SD 4.39Å; V916-M920 WeakPolarHBondContact O-CG 3.25Å; V916-M920 PolarHBondContact O-N 2.97Å
917	M	57.2	Low	61.5	Low	110 Å²	110	94.7 Å²	94.7	54%	0.542	48%	0.477	S	S	.	.	H	α-helix	trans	-61.9	-40.1	176.3	-71.6	-105.9	-75.2	0	0	111.8	I913 F914 M920 Q921	I913-M917 HydrophobicContact CG2-CG 4.27Å; I913-M917 WeakPolarHBondContact O-CB 3.43Å; I913-M917 VanDerWaalsContact O-CG 3.26Å; I913-M917 WeakPolarHBondContact O-CG 3.4Å; I913-M917 PolarHBondContact O-N 3.44Å; F914-M917 PolarHBondContact O-N 3Å; M917-M920 PolarHBondContact O-N 2.71Å; M917-Q921 WeakPolarHBondContact O-CB 3.35Å; M917-Q921 WeakPolarHBondContact O-CG 3.28Å; M917-Q921 PolarHBondContact O-N 2.89Å
918	L	66.1	Low	61.3	Low	31 Å²	31	94.2 Å²	94.2	16%	0.162	48%	0.481	C	S	.	.	H	α-helix	trans	-61.8	-46.3	175.2	-175.9	66.3	0	0	0	111.8	F914 F915 V916 M920 Q921 L922 L941	F914-L918 HydrophobicContact CE1-CD2 4.39Å; F914-L918 VanDerWaalsContact O-CB 3.28Å; F914-L918 WeakPolarHBondContact O-CB 3.28Å; F914-L918 PolarHBondContact O-N 3.27Å; F915-L918 HydrophobicContact CD1-CD2 4.16Å; F915-L918 HydrophobicContact CE1-CD2 4.44Å; V916-L918 VanDerWaalsContact C-N 3.32Å; V916-L918 PolarHBondContact O-N 3.19Å; L918-M920 VanDerWaalsContact C-N 3.35Å; L918-Q921 PolarHBondContact O-N 3.03Å; L918-L922 HydrophobicContact CD1-CD1 4.29Å; L918-L922 HydrophobicContact CG-CD1 3.98Å; L918-L922 WeakPolarHBondContact O-CB 3.44Å; L918-L922 WeakPolarHBondContact O-CG 3.47Å; L918-L922 PolarHBondContact O-N 2.95Å; L918-L941 HydrophobicContact CD1-CD1 3.62Å; L918-L941 HydrophobicContact CD1-CD2 3.18Å; L918-L941 HydrophobicContact CD1-CG 3.94Å
919	A	66.8	Low	60.8	Low	53 Å²	53	99.2 Å²	99.2	44%	0.438	50%	0.499	S	S	.	.	H	α-helix	trans	-63.9	-39.7	177.2	0	0	0	0	0	111.8	F915 V916 T923	F915-A919 WeakPolarHBondContact O-CB 3.44Å; F915-A919 PolarHBondContact O-N 2.93Å; V916-A919 PolarHBondContact O-N 3.42Å; A919-T923 WeakPolarHBondContact O-CB 3.35Å; A919-T923 WeakPolarHBondContact O-CG2 3.29Å; A919-T923 PolarHBondContact O-N 2.79Å; A919-T923 PolarHBondContact O-OG1 3.26Å
920	M	59.1	Low	60.9	Low	127 Å²	127	104.5 Å²	104.5	63%	0.626	51%	0.512	S	S	*	.	H	α-helix	trans	-65.5	-40.6	174.6	-74.3	-174.8	69.4	0	0	112.3	V916 M917 L918 T923 Y924	V916-M920 HydrophobicContact CG1-SD 4.39Å; V916-M920 WeakPolarHBondContact O-CG 3.25Å; V916-M920 PolarHBondContact O-N 2.97Å; M917-M920 PolarHBondContact O-N 2.71Å; L918-M920 VanDerWaalsContact C-N 3.35Å; M920-T923 WeakPolarHBondContact CA-OG1 3.47Å; M920-T923 PolarHBondContact O-OG1 2.85Å; M920-Y924 WeakPolarHBondContact O-CB 3.41Å; M920-Y924 PolarHBondContact O-N 3.09Å
921	Q	60.8	Low	61	Low	82 Å²	82	106.7 Å²	106.7	38%	0.383	52%	0.523	S	S	.	.	H	α-helix	trans	-69.7	-41	176.9	-75.9	-177.5	-10.9	0	0	112.3	M917 L918 T923 Y924 F925	M917-Q921 WeakPolarHBondContact O-CB 3.35Å; M917-Q921 WeakPolarHBondContact O-CG 3.28Å; M917-Q921 PolarHBondContact O-N 2.89Å; L918-Q921 PolarHBondContact O-N 3.03Å; Q921-T923 PolarHBondContact O-N 2.84Å; Q921-Y924 PolarHBondContact O-N 3.21Å; Q921-F925 WeakPolarHBondContact O-CB 3.33Å; Q921-F925 WeakPolarHBondContact O-CD2 3.34Å; Q921-F925 PolarHBondContact O-N 2.81Å
922	L	63.2	Low	60.7	Low	71 Å²	71	111.7 Å²	111.7	37%	0.372	55%	0.545	S	S	.	.	H	α-helix	trans	-64.8	-37.7	177.2	-77.3	165.7	0	0	0	112.4	L918 Q926 Y938	L918-L922 HydrophobicContact CD1-CD1 4.29Å; L918-L922 HydrophobicContact CG-CD1 3.98Å; L918-L922 WeakPolarHBondContact O-CB 3.44Å; L918-L922 WeakPolarHBondContact O-CG 3.47Å; L918-L922 PolarHBondContact O-N 2.95Å; L922-Q926 PolarHBondContact O-N 2.82Å; L922-Y938 HydrophobicContact CD2-CE1 4.5Å
923	T	62.6	Low	60.3	Low	97 Å²	97	111.2 Å²	111.2	60%	0.595	55%	0.545	S	S	*	.	H	α-helix	trans	-71.3	-34.5	175.1	44.5	0	0	0	0	112.4	A919 M920 Q921	A919-T923 WeakPolarHBondContact O-CB 3.35Å; A919-T923 WeakPolarHBondContact O-CG2 3.29Å; A919-T923 PolarHBondContact O-N 2.79Å; A919-T923 PolarHBondContact O-OG1 3.26Å; M920-T923 WeakPolarHBondContact CA-OG1 3.47Å; M920-T923 PolarHBondContact O-OG1 2.85Å; Q921-T923 PolarHBondContact O-N 2.84Å
924	Y	54.2	Low	60.3	Low	189 Å²	189	110 Å²	110	74%	0.741	54%	0.537	S	S	*	.	H	α-helix	trans	-70.8	-34.8	176	-155	-99.2	0	0	0	112.7	M920 Q921	M920-Y924 WeakPolarHBondContact O-CB 3.41Å; M920-Y924 PolarHBondContact O-N 3.09Å; Q921-Y924 PolarHBondContact O-N 3.21Å
925	F	57.2	Low	60.3	Low	75 Å²	75	116 Å²	116	33%	0.329	56%	0.559	S	S	.	*	H	α-helix	trans	-86.4	-7.2	-175.9	-91.2	-84.3	0	0	0	116	Q921 K927 A928 L937	Q921-F925 WeakPolarHBondContact O-CB 3.33Å; Q921-F925 WeakPolarHBondContact O-CD2 3.34Å; Q921-F925 PolarHBondContact O-N 2.81Å; F925-K927 PolarHBondContact O-N 3.42Å; F925-K927 VanDerWaalsContact O-N 3.09Å; F925-A928 HydrophobicContact CD1-CB 3.91Å; F925-A928 HydrophobicContact CE1-CB 4.33Å; F925-A928 PolarHBondContact O-N 3.03Å; F925-L937 HydrophobicContact CB-CD2 4.31Å; F925-L937 HydrophobicContact CD1-CD2 4.41Å; F925-L937 HydrophobicContact CD2-CD2 3.85Å; F925-L937 HydrophobicContact CE2-CD1 4.49Å; F925-L937 HydrophobicContact CE2-CD2 4.26Å; F925-L937 HydrophobicContact CG-CD2 3.93Å
926	Q	55.4	Low	60	Low	171 Å²	171	114 Å²	114	80%	0.799	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.2	-13.2	168.1	-84.1	-174.6	-16.2	0	0	113.3	L922	L922-Q926 PolarHBondContact O-N 2.82Å
927	K	55.8	Low	59.9	Low	195 Å²	195	111.1 Å²	111.1	85%	0.848	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.1	3.6	179.6	-77.6	-177.9	176.1	175.9	0	115.7	F925	F925-K927 PolarHBondContact O-N 3.42Å; F925-K927 VanDerWaalsContact O-N 3.09Å
928	A	55	Low	60.2	Low	45 Å²	45	112 Å²	112	37%	0.372	54%	0.539	S	S	.	.			trans	-96.9	119.7	-175.8	0	0	0	0	0	113.7	F925 R930	F925-A928 HydrophobicContact CD1-CB 3.91Å; F925-A928 HydrophobicContact CE1-CB 4.33Å; F925-A928 PolarHBondContact O-N 3.03Å; A928-R930 PolarHBondContact O-N 3.38Å
929	K	55.9	Low	60.3	Low	216 Å²	216	113.1 Å²	113.1	94%	0.939	55%	0.552	S	S	*	*			trans	-78.3	20.9	-171.5	-80.9	-174.6	174.8	-180	0	117.3
930	R	62.8	Low	60	Low	211 Å²	211	115 Å²	115	80%	0.796	55%	0.554	S	S	*	*			trans	-135.4	117.7	-178.8	-77.3	-173.1	172.6	-178.4	-2.1	114	A928 H932 G933	A928-R930 PolarHBondContact O-N 3.38Å; R930-H932 PolarHBondContact O-N 2.9Å; R930-H932 VanDerWaalsContact O-N 3.12Å; R930-G933 PolarHBondContact O-N 3.39Å
931	L	59.8	Low	60.3	Low	121 Å²	121	109.9 Å²	109.9	63%	0.634	53%	0.529	S	S	*	.	H	α-helix	trans	-56.1	-26.7	-177	-139.9	87.6	0	0	0	114.7
932	H	58.9	Low	60.6	Low	157 Å²	157	111.8 Å²	111.8	73%	0.727	54%	0.541	S	S	*	.	H	α-helix	trans	-77.8	-33.8	-176	-150.8	62.8	0	0	0	112.9	R930 R935 C936	R930-H932 PolarHBondContact O-N 2.9Å; R930-H932 VanDerWaalsContact O-N 3.12Å; H932-R935 PolarHBondContact O-N 3.36Å; H932-C936 PolarHBondContact O-N 3.08Å
933	G	58.7	Low	60.8	Low	40 Å²	40	112.4 Å²	112.4	41%	0.412	55%	0.547	S	S	.	.	H	α-helix	trans	-70	-34.3	176.4	0	0	0	0	0	112.6	R930 C936 L937	R930-G933 PolarHBondContact O-N 3.39Å; G933-C936 PolarHBondContact O-N 2.99Å; G933-L937 WeakPolarHBondContact O-CB 3.49Å; G933-L937 PolarHBondContact O-N 2.93Å; G933-L937 VanDerWaalsContact O-N 3.1Å
934	Q	60.4	Low	60.8	Low	62 Å²	62	110.7 Å²	110.7	29%	0.29	54%	0.535	S	S	.	.	H	α-helix	trans	-64.4	-42.3	175.7	-73.3	177.5	-24.3	0	0	111.8	C936 L937 Y938	Q934-C936 PolarHBondContact O-N 3.31Å; Q934-L937 PolarHBondContact O-N 3.45Å; Q934-Y938 HydrophobicContact CB-CD2 4.33Å; Q934-Y938 HydrophobicContact CB-CE2 4.02Å; Q934-Y938 WeakPolarHBondContact O-CD2 3.32Å; Q934-Y938 PolarHBondContact O-N 3.46Å
935	R	64.4	Low	61.2	Low	171 Å²	171	104.1 Å²	104.1	65%	0.645	52%	0.517	S	S	*	.	H	α-helix	trans	-64.3	-38.5	178.9	-71	-178.5	179	-179.4	-0.4	113.1	H932 A939	H932-R935 PolarHBondContact O-N 3.36Å; R935-A939 WeakPolarHBondContact O-CB 3.28Å; R935-A939 PolarHBondContact O-N 2.96Å
936	C	60.8	Low	61.7	Low	81 Å²	81	104.2 Å²	104.2	55%	0.547	53%	0.525	S	S	.	.	H	α-helix	trans	-69.4	-40.1	177.7	-155	0	0	0	0	111.3	H932 G933 Q934 A939 I940	H932-C936 PolarHBondContact O-N 3.08Å; G933-C936 PolarHBondContact O-N 2.99Å; Q934-C936 PolarHBondContact O-N 3.31Å; C936-A939 PolarHBondContact O-N 2.9Å; C936-I940 WeakPolarHBondContact O-CG1 3.24Å; C936-I940 PolarHBondContact O-N 3.23Å; C936-I940 VanDerWaalsContact O-N 3.08Å
937	L	62.7	Low	62.2	Low	28 Å²	28	100.3 Å²	100.3	15%	0.147	51%	0.509	C	S	.	.	H	α-helix	trans	-63.2	-47.2	174.1	-169.8	76	0	0	0	111.8	F925 G933 Q934 A939 I940 L941	F925-L937 HydrophobicContact CB-CD2 4.31Å; F925-L937 HydrophobicContact CD1-CD2 4.41Å; F925-L937 HydrophobicContact CD2-CD2 3.85Å; F925-L937 HydrophobicContact CE2-CD1 4.49Å; F925-L937 HydrophobicContact CE2-CD2 4.26Å; F925-L937 HydrophobicContact CG-CD2 3.93Å; G933-L937 WeakPolarHBondContact O-CB 3.49Å; G933-L937 PolarHBondContact O-N 2.93Å; G933-L937 VanDerWaalsContact O-N 3.1Å; Q934-L937 PolarHBondContact O-N 3.45Å; L937-A939 VanDerWaalsContact C-N 3.27Å; L937-A939 PolarHBondContact O-N 3.42Å; L937-I940 PolarHBondContact O-N 2.96Å; L937-L941 HydrophobicContact CG-CD1 4.18Å; L937-L941 WeakPolarHBondContact O-CB 3.36Å; L937-L941 VanDerWaalsContact O-CG 3.29Å; L937-L941 WeakPolarHBondContact O-CG 3.45Å; L937-L941 PolarHBondContact O-N 3.39Å
938	Y	64.1	Low	62.4	Low	130 Å²	130	93.6 Å²	93.6	51%	0.51	48%	0.482	S	S	.	.	H	α-helix	trans	-62.1	-34	177	-71.2	-56.7	0	0	0	112.7	L922 Q934 L942	L922-Y938 HydrophobicContact CD2-CE1 4.5Å; Q934-Y938 HydrophobicContact CB-CD2 4.33Å; Q934-Y938 HydrophobicContact CB-CE2 4.02Å; Q934-Y938 WeakPolarHBondContact O-CD2 3.32Å; Q934-Y938 PolarHBondContact O-N 3.46Å; Y938-L942 WeakPolarHBondContact O-CB 3.35Å; Y938-L942 PolarHBondContact O-N 3.47Å
939	A	66.8	Low	63	Low	54 Å²	54	97 Å²	97	45%	0.446	49%	0.494	S	S	.	.	H	α-helix	trans	-66.1	-43.9	174.8	0	0	0	0	0	112.1	R935 C936 L937 L942 V943	R935-A939 WeakPolarHBondContact O-CB 3.28Å; R935-A939 PolarHBondContact O-N 2.96Å; C936-A939 PolarHBondContact O-N 2.9Å; L937-A939 VanDerWaalsContact C-N 3.27Å; L937-A939 PolarHBondContact O-N 3.42Å; A939-L942 PolarHBondContact O-N 3.46Å; A939-V943 WeakPolarHBondContact O-CG2 3.44Å; A939-V943 PolarHBondContact O-N 2.93Å; A939-V943 VanDerWaalsContact O-N 3.1Å
940	I	62.3	Low	63.3	Low	92 Å²	92	97 Å²	97	47%	0.472	49%	0.488	S	S	.	.	H	α-helix	trans	-64.1	-45	176.8	-66.8	166.5	0	0	0	110.5	C936 L937 L942 V943 D944	C936-I940 WeakPolarHBondContact O-CG1 3.24Å; C936-I940 PolarHBondContact O-N 3.23Å; C936-I940 VanDerWaalsContact O-N 3.08Å; L937-I940 PolarHBondContact O-N 2.96Å; I940-L942 VanDerWaalsContact C-N 3.29Å; I940-L942 PolarHBondContact O-N 3.07Å; I940-V943 PolarHBondContact O-N 3.46Å; I940-V943 VanDerWaalsContact O-N 3.16Å; I940-D944 PolarHBondContact O-N 3.4Å
941	L	64.2	Low	63.2	Low	20 Å²	20	91.8 Å²	91.8	11%	0.105	48%	0.475	C	S	.	.	H	α-helix	trans	-62.9	-35.1	178.2	-70.2	178.4	0	0	0	113	L918 L937 S945	L918-L941 HydrophobicContact CD1-CD1 3.62Å; L918-L941 HydrophobicContact CD1-CD2 3.18Å; L918-L941 HydrophobicContact CD1-CG 3.94Å; L937-L941 HydrophobicContact CG-CD1 4.18Å; L937-L941 WeakPolarHBondContact O-CB 3.36Å; L937-L941 VanDerWaalsContact O-CG 3.29Å; L937-L941 WeakPolarHBondContact O-CG 3.45Å; L937-L941 PolarHBondContact O-N 3.39Å; L941-S945 VanDerWaalsContact O-CB 3.29Å; L941-S945 WeakPolarHBondContact O-CB 3.45Å; L941-S945 PolarHBondContact O-N 3.23Å; L941-S945 PolarHBondContact O-OG 3Å
942	L	67.6	Low	63.3	Low	122 Å²	122	93.4 Å²	93.4	64%	0.639	47%	0.474	S	S	*	.	H	α-helix	trans	-66.9	-43	175.1	-158.8	99.7	0	0	0	111.1	Y938 A939 I940 S945 C946	Y938-L942 WeakPolarHBondContact O-CB 3.35Å; Y938-L942 PolarHBondContact O-N 3.47Å; A939-L942 PolarHBondContact O-N 3.46Å; I940-L942 VanDerWaalsContact C-N 3.29Å; I940-L942 PolarHBondContact O-N 3.07Å; L942-S945 PolarHBondContact O-N 3.49Å; L942-C946 PolarHBondContact O-N 3.1Å; L942-C946 PolarHBondContact O-SG 3.28Å; L942-C946 VanDerWaalsContact O-SG 3.36Å
943	V	67.5	Low	63.3	Low	83 Å²	83	88.7 Å²	88.7	50%	0.503	46%	0.458	S	S	.	.	H	α-helix	trans	-63.8	-47.1	177.9	171.2	0	0	0	0	111	A939 I940 S945 C946 I947	A939-V943 WeakPolarHBondContact O-CG2 3.44Å; A939-V943 PolarHBondContact O-N 2.93Å; A939-V943 VanDerWaalsContact O-N 3.1Å; I940-V943 PolarHBondContact O-N 3.46Å; I940-V943 VanDerWaalsContact O-N 3.16Å; V943-S945 VanDerWaalsContact C-N 3.33Å; V943-S945 PolarHBondContact O-N 2.97Å; V943-C946 WeakPolarHBondContact O-CB 3.49Å; V943-C946 PolarHBondContact O-N 3.36Å; V943-I947 HydrophobicContact CG1-CD1 3.96Å; V943-I947 WeakPolarHBondContact O-CG1 2.98Å; V943-I947 PolarHBondContact O-N 2.98Å
944	D	62	Low	63.3	Low	62 Å²	62	90.5 Å²	90.5	33%	0.332	47%	0.465	S	S	.	.	H	α-helix	trans	-63.9	-39.7	178.4	-77.3	-12.7	0	0	0	111.8	F914 I940 C946 I947 L948	F914-D944 HydrophobicContact CE2-CB 3.92Å; F914-D944 HydrophobicContact CZ-CB 3.89Å; I940-D944 PolarHBondContact O-N 3.4Å; D944-C946 VanDerWaalsContact C-N 3.33Å; D944-C946 PolarHBondContact O-N 2.7Å; D944-I947 PolarHBondContact O-N 3.23Å; D944-L948 WeakPolarHBondContact O-CG 3.41Å; D944-L948 PolarHBondContact O-N 3.39Å
945	S	63.6	Low	63	Low	51 Å²	51	89.7 Å²	89.7	36%	0.357	47%	0.466	S	S	.	.	H	α-helix	trans	-63.2	-39.4	175	-59.9	0	0	0	0	111.9	L941 L942 V943 L948 L949	L941-S945 VanDerWaalsContact O-CB 3.29Å; L941-S945 WeakPolarHBondContact O-CB 3.45Å; L941-S945 PolarHBondContact O-N 3.23Å; L941-S945 PolarHBondContact O-OG 3Å; L942-S945 PolarHBondContact O-N 3.49Å; V943-S945 VanDerWaalsContact C-N 3.33Å; V943-S945 PolarHBondContact O-N 2.97Å; S945-L948 PolarHBondContact O-N 3.33Å; S945-L949 WeakPolarHBondContact O-CB 3.22Å; S945-L949 PolarHBondContact O-N 3.43Å
946	C	67.1	Low	62.5	Low	76 Å²	76	85.6 Å²	85.6	51%	0.514	46%	0.463	S	S	.	.	H	α-helix	trans	-64.4	-42.4	174.6	-76.7	0	0	0	0	112.1	L942 V943 D944 L949 W950	L942-C946 PolarHBondContact O-N 3.1Å; L942-C946 PolarHBondContact O-SG 3.28Å; L942-C946 VanDerWaalsContact O-SG 3.36Å; V943-C946 WeakPolarHBondContact O-CB 3.49Å; V943-C946 PolarHBondContact O-N 3.36Å; D944-C946 VanDerWaalsContact C-N 3.33Å; D944-C946 PolarHBondContact O-N 2.7Å; C946-L949 PolarHBondContact O-N 3.45Å; C946-W950 WeakPolarHBondContact O-CB 3.35Å; C946-W950 PolarHBondContact O-N 3.15Å
947	I	65.1	Low	62.1	Low	90 Å²	90	89.6 Å²	89.6	46%	0.462	47%	0.474	S	S	.	.	H	α-helix	trans	-62.6	-43.4	177.5	-68.3	167.1	0	0	0	110.7	V943 D944 W950 L951	V943-I947 HydrophobicContact CG1-CD1 3.96Å; V943-I947 WeakPolarHBondContact O-CG1 2.98Å; V943-I947 PolarHBondContact O-N 2.98Å; D944-I947 PolarHBondContact O-N 3.23Å; I947-W950 WeakPolarHBondContact O-CB 3.45Å; I947-W950 PolarHBondContact O-N 3.05Å; I947-L951 HydrophobicContact CG2-CD1 3.96Å; I947-L951 WeakPolarHBondContact O-CG 3.27Å; I947-L951 PolarHBondContact O-N 3.43Å
948	L	61.8	Low	61.3	Low	53 Å²	53	91.9 Å²	91.9	28%	0.277	49%	0.492	S	S	.	.	H	α-helix	trans	-65.7	-40.7	178	-73.3	168.9	0	0	0	112.6	F914 D944 S945 W950 L951 Y952	F914-L948 HydrophobicContact CD1-CD1 3.47Å; F914-L948 VanDerWaalsContact CD1-CD1 3.47Å; F914-L948 HydrophobicContact CD2-CD1 4.03Å; F914-L948 HydrophobicContact CE1-CD1 3.5Å; F914-L948 HydrophobicContact CE2-CD1 4.06Å; F914-L948 HydrophobicContact CG-CD1 3.74Å; F914-L948 HydrophobicContact CZ-CD1 3.81Å; D944-L948 WeakPolarHBondContact O-CG 3.41Å; D944-L948 PolarHBondContact O-N 3.39Å; S945-L948 PolarHBondContact O-N 3.33Å; L948-W950 VanDerWaalsContact C-N 3.29Å; L948-W950 PolarHBondContact O-N 3.44Å; L948-L951 PolarHBondContact O-N 3.47Å; L948-Y952 WeakPolarHBondContact O-CB 3.03Å; L948-Y952 PolarHBondContact O-N 2.07Å
949	L	66.6	Low	60.7	Low	117 Å²	117	95 Å²	95	61%	0.613	51%	0.512	S	S	*	.	H	α-helix	trans	-63	-36.2	173	-93.3	151.9	0	0	0	112.1	S945 C946 S953	S945-L949 WeakPolarHBondContact O-CB 3.22Å; S945-L949 PolarHBondContact O-N 3.43Å; C946-L949 PolarHBondContact O-N 3.45Å; L949-S953 VanDerWaalsContact O-CB 3.29Å; L949-S953 WeakPolarHBondContact O-CB 3.12Å; L949-S953 PolarHBondContact O-N 3.02Å
950	W	63	Low	59.8	Low	215 Å²	215	96.2 Å²	96.2	81%	0.814	52%	0.516	S	S	*	.	H	α-helix	trans	-69.9	-42.9	177.7	-137.8	51.1	0	0	0	112	C946 I947 L948 S953 S954	C946-W950 WeakPolarHBondContact O-CB 3.35Å; C946-W950 PolarHBondContact O-N 3.15Å; I947-W950 WeakPolarHBondContact O-CB 3.45Å; I947-W950 PolarHBondContact O-N 3.05Å; L948-W950 VanDerWaalsContact C-N 3.29Å; L948-W950 PolarHBondContact O-N 3.44Å; W950-S953 PolarHBondContact O-N 3.48Å; W950-S954 WeakPolarHBondContact O-CB 3.29Å; W950-S954 PolarHBondContact O-N 2.92Å
951	L	60.2	Low	59.7	Low	102 Å²	102	96.5 Å²	96.5	53%	0.534	52%	0.518	S	S	.	.	H	α-helix	trans	-63.2	-42	173.6	-75.8	164.2	0	0	0	111.9	I947 L948 S954 C955	I947-L951 HydrophobicContact CG2-CD1 3.96Å; I947-L951 WeakPolarHBondContact O-CG 3.27Å; I947-L951 PolarHBondContact O-N 3.43Å; L948-L951 PolarHBondContact O-N 3.47Å; L951-S954 PolarHBondContact O-N 3.39Å; L951-C955 PolarHBondContact O-N 2.92Å; L951-C955 VanDerWaalsContact O-N 3.15Å
952	Y	62.3	Low	59.5	Low	156 Å²	156	100.5 Å²	100.5	61%	0.612	54%	0.54	S	S	*	.	H	α-helix	trans	-64.1	-44.4	175.6	-178.1	-97.3	0	0	0	112.1	L948 C955 S956	L948-Y952 WeakPolarHBondContact O-CB 3.03Å; L948-Y952 PolarHBondContact O-N 2.07Å; Y952-C955 PolarHBondContact O-N 2.97Å; Y952-S956 PolarHBondContact O-N 3.45Å
953	S	59	Low	59	Low	57 Å²	57	99.3 Å²	99.3	40%	0.399	53%	0.534	S	S	.	.	H	α-helix	trans	-64	-42	177.4	-170.9	0	0	0	0	112.1	L949 W950 C955 S956	L949-S953 VanDerWaalsContact O-CB 3.29Å; L949-S953 WeakPolarHBondContact O-CB 3.12Å; L949-S953 PolarHBondContact O-N 3.02Å; W950-S953 PolarHBondContact O-N 3.48Å; S953-C955 PolarHBondContact O-N 2.92Å; S953-S956 PolarHBondContact O-N 3.17Å; S953-S956 VanDerWaalsContact O-N 3.17Å; S953-S956 PolarHBondContact O-OG 3.22Å
954	S	57.3	Low	58.5	Low	79 Å²	79	100.2 Å²	100.2	55%	0.552	54%	0.536	S	S	*	.	H	α-helix	trans	-64.4	-36.8	179.1	-173.1	0	0	0	0	112.8	W950 L951 S956 S958	W950-S954 WeakPolarHBondContact O-CB 3.29Å; W950-S954 PolarHBondContact O-N 2.92Å; L951-S954 PolarHBondContact O-N 3.39Å; S954-S956 VanDerWaalsContact C-N 3.34Å; S954-S958 PolarHBondContact O-OG 3.5Å
955	C	55.5	Low	58.3	Low	45 Å²	45	102.6 Å²	102.6	30%	0.304	55%	0.549	S	S	.	.	H	α-helix	trans	-81.6	-7.9	176.7	-118.7	0	0	0	0	113.7	L951 Y952 S953 C960	L951-C955 PolarHBondContact O-N 2.92Å; L951-C955 VanDerWaalsContact O-N 3.15Å; Y952-C955 PolarHBondContact O-N 2.97Å; S953-C955 PolarHBondContact O-N 2.92Å; C955-C960 WeakPolarHBondContact CB-SG 3.22Å; C955-C960 PolarHBondContact O-SG 3.34Å; C955-C960 WeakPolarHBondContact SG-CB 3.32Å; C955-C960 CovalentContact SG-SG 2.07Å; C955-C960 PolarHBondContact SG-SG 3.37Å
956	S	53.4	Low	57.9	Low	85 Å²	85	106.1 Å²	106.1	59%	0.594	56%	0.562	S	S	*	*	H	α-helix	trans	-87.7	-22.2	177	107.9	0	0	0	0	113.3	Y952 S953 S954	Y952-S956 PolarHBondContact O-N 3.45Å; S953-S956 PolarHBondContact O-N 3.17Å; S953-S956 VanDerWaalsContact O-N 3.17Å; S953-S956 PolarHBondContact O-OG 3.22Å; S954-S956 VanDerWaalsContact C-N 3.34Å
957	Q	52.2	Low	57.3	Low	165 Å²	165	108.2 Å²	108.2	77%	0.771	57%	0.565	S	S	*	*	H	α-helix	trans	-108.7	-7.4	-172.8	-65.6	-171.8	-7.4	0	0	115.2
958	S	45	Very low	56.7	Low	76 Å²	76	109.6 Å²	109.6	53%	0.531	57%	0.573	S	S	.	*	S	Bend	trans	-140.5	147.9	173.9	57.2	0	0	0	0	109.5	S954 C960	S954-S958 PolarHBondContact O-OG 3.5Å; S958-C960 PolarHBondContact O-N 3.29Å
959	Q	51.6	Low	56.3	Low	196 Å²	196	114.3 Å²	114.3	92%	0.916	60%	0.598	S	S	*	*			trans	-54.2	109.5	173.6	-74.8	-177.1	-21.1	0	0	108.4
960	C	48.9	Very low	55.3	Low	79 Å²	79	114.1 Å²	114.1	53%	0.534	60%	0.597	S	S	.	*			trans	-52.3	0	166.6	-50.3	0	0	0	0	109.1	C955 S958	C955-C960 WeakPolarHBondContact CB-SG 3.22Å; C955-C960 PolarHBondContact O-SG 3.34Å; C955-C960 WeakPolarHBondContact SG-CB 3.32Å; C955-C960 CovalentContact SG-SG 2.07Å; C955-C960 PolarHBondContact SG-SG 3.37Å; S958-C960 PolarHBondContact O-N 3.29Å

Retrieved 960 of 960 residues in 2053.9 ms (Link to these results)

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