A0A093GU89_STRCA Loading...

Arylsulfatase I

AlphaFold DB , UniProt , Accession A0A093GU89, Species STRCA (Struthio camelus australis), Gene n/a, Length 573 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.9	Very low	35.1	Very low	238 Å²	238	139.1 Å²	139.1	100%	1.172	80%	0.795	S	S	*	*				0	89.2	0	-55.9	-171.3	-69.1	0	0	106.9
2	A	37.6	Very low	34.8	Very low	82 Å²	82	138.9 Å²	138.9	68%	0.678	80%	0.798	S	S	*	*			cis	83.5	109.5	16	0	0	0	0	0	116.6
3	V	36	Very low	34.4	Very low	137 Å²	137	135.1 Å²	135.1	83%	0.83	79%	0.785	S	S	*	*			trans	-144.9	101.9	156.6	-173.6	0	0	0	0	103.5
4	Y	41.3	Very low	34.1	Very low	214 Å²	214	136.1 Å²	136.1	84%	0.839	78%	0.784	S	S	*	*				59	129.7	82.3	-73.5	-68.5	0	0	0	113.3
5	A	39.5	Very low	33.8	Very low	81 Å²	81	136.8 Å²	136.8	67%	0.669	78%	0.784	S	S	*	*			cis	-149.5	-165.2	-2.1	0	0	0	0	0	108.7
6	L	31.6	Very low	33.7	Very low	162 Å²	162	133.3 Å²	133.3	85%	0.848	77%	0.77	S	S	*	*			cis	-148.3	-179.1	24.3	-101.2	114.2	0	0	0	113.2
7	T	36	Very low	33.5	Very low	113 Å²	113	137.7 Å²	137.7	69%	0.693	78%	0.778	S	S	*	*			trans	-50.8	156.3	167.3	52.5	0	0	0	0	116.6
8	G	31.6	Very low	33.2	Very low	74 Å²	74	133.3 Å²	133.3	76%	0.763	77%	0.768	S	S	*	*			cis	-168.8	-146.8	4.7	0	0	0	0	0	109.9
9	F	29.3	Very low	33.1	Very low	186 Å²	186	137.9 Å²	137.9	82%	0.816	77%	0.774	S	S	*	*			cis	-161	146.8	1.3	-115.2	-87.8	0	0	0	110.2
10	S	31.5	Very low	32.8	Very low	96 Å²	96	138.8 Å²	138.8	67%	0.671	78%	0.776	S	S	*	*			trans	26	145.5	136.2	-166.6	0	0	0	0	122.9
11	L	29.4	Very low	32.8	Very low	147 Å²	147	136 Å²	136	77%	0.77	77%	0.766	S	S	*	*			cis	173.3	149.6	-22.2	-102.3	152.6	0	0	0	107.7
12	V	30.6	Very low	32.2	Very low	137 Å²	137	135.6 Å²	135.6	83%	0.83	75%	0.751	S	S	*	*			trans	66.6	150.2	146.4	163.2	0	0	0	0	117.8
13	S	30	Very low	31.8	Very low	89 Å²	89	137.1 Å²	137.1	62%	0.622	75%	0.748	S	S	*	*			cis	-154.1	138.3	-1	126	0	0	0	0	109
14	L	30.9	Very low	31.4	Very low	149 Å²	149	140.8 Å²	140.8	78%	0.78	75%	0.747	S	S	*	*				82.8	148.2	80.9	-130.6	173.3	0	0	0	114.7
15	L	28.8	Very low	30.8	Very low	147 Å²	147	138.6 Å²	138.6	77%	0.77	75%	0.746	S	S	*	*			trans	80.4	157.9	172.8	-52.8	173.7	0	0	0	118.6
16	S	32	Very low	30.4	Very low	81 Å²	81	144.4 Å²	144.4	57%	0.566	76%	0.757	S	S	*	*				-178.4	152.4	-64.1	49.9	0	0	0	0	112.6
17	F	30	Very low	30.9	Very low	208 Å²	208	143.1 Å²	143.1	91%	0.912	76%	0.758	S	S	*	*			trans	66.9	151.9	175.8	-58.8	-88.9	0	0	0	116.9
18	G	28.7	Very low	30.5	Very low	58 Å²	58	140.8 Å²	140.8	60%	0.598	76%	0.756	S	S	*	*			cis	162.4	137.3	-13.9	0	0	0	0	0	115
19	Y	31	Very low	30.5	Very low	222 Å²	222	145.2 Å²	145.2	87%	0.871	76%	0.762	S	S	*	*			trans	65.3	160	172.1	-64.4	-90.2	0	0	0	116.7
20	L	28.6	Very low	30.4	Very low	155 Å²	155	142.9 Å²	142.9	81%	0.812	76%	0.762	S	S	*	*			cis	-138.5	-176.5	15.2	-120	122.3	0	0	0	113.1
21	S	30.8	Very low	30.3	Very low	81 Å²	81	142.3 Å²	142.3	57%	0.566	76%	0.763	S	S	*	*			trans	-77.7	-179.2	178.8	57.6	0	0	0	0	113.9
22	W	30.4	Very low	30.2	Very low	228 Å²	228	143.3 Å²	143.3	86%	0.864	77%	0.769	S	S	*	*			cis	-170	171.8	23.9	-116.5	-27.2	0	0	0	108.3
23	D	30.1	Very low	30.3	Very low	114 Å²	114	143.4 Å²	143.4	61%	0.61	77%	0.77	S	S	*	*			cis	-167.1	178.2	-21.7	-150	-18.3	0	0	0	110.7
24	W	28.2	Very low	30.3	Very low	214 Å²	214	143.6 Å²	143.6	81%	0.811	78%	0.777	S	S	*	*			trans	69.2	142	165.1	-67.7	20.2	0	0	0	117.6
25	M	27.1	Very low	30.2	Very low	169 Å²	169	145.4 Å²	145.4	83%	0.833	78%	0.783	S	S	*	*			cis	-141.2	170.7	22.6	-67.5	-178.8	170	0	0	114.1
26	K	32.9	Very low	30.4	Very low	203 Å²	203	145.5 Å²	145.5	88%	0.883	79%	0.785	S	S	*	*			trans	-129.6	152.3	158	-73.9	-170.3	176.6	-175	0	109.8
27	P	40.9	Very low	30.7	Very low	134 Å²	134	146.6 Å²	146.6	87%	0.87	79%	0.79	S	S	*	*				-149.5	169.2	102.3	37.8	-20.8	0	0	0	116.1
28	G	28.8	Very low	31.1	Very low	64 Å²	64	145.9 Å²	145.9	66%	0.66	79%	0.792	S	S	*	*			trans	113.6	115.3	178.7	0	0	0	0	0	112.2
29	L	30.1	Very low	31.4	Very low	168 Å²	168	151.4 Å²	151.4	88%	0.88	80%	0.802	S	S	*	*			cis	60.8	126.3	37.4	-67.2	137	0	0	0	111.9
30	V	28.4	Very low	31.7	Very low	137 Å²	137	150.3 Å²	150.3	83%	0.83	80%	0.802	S	S	*	*			cis	-142.7	146.4	13.7	175.9	0	0	0	0	108.7
31	A	28.4	Very low	32.1	Very low	83 Å²	83	147.9 Å²	147.9	69%	0.686	80%	0.798	S	S	*	*			cis	-168.8	170.2	-24.3	0	0	0	0	0	108.3
32	D	28.3	Very low	32.3	Very low	169 Å²	169	151.3 Å²	151.3	90%	0.904	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-74.9	136.4	-177.1	-62.8	-72.3	0	0	0	114.6
33	V	31	Very low	33	Very low	138 Å²	138	145 Å²	145	84%	0.836	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-99.7	117.5	162.6	178	0	0	0	0	108	M35	V33-M35 PolarHBondContact O-N 3.42Å
34	A	29.9	Very low	33.6	Very low	93 Å²	93	143.5 Å²	143.5	77%	0.769	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-60.2	132.1	179.6	0	0	0	0	0	111.3	D36	A34-D36 PolarHBondContact O-N 3.26Å
35	M	30.6	Very low	34.4	Very low	187 Å²	187	138.7 Å²	138.7	92%	0.921	79%	0.788	S	S	*	*			trans	-78.5	106.1	170.1	-60.6	-151.8	83	0	0	109.1	V33	V33-M35 PolarHBondContact O-N 3.42Å
36	D	32.5	Very low	35.8	Very low	149 Å²	149	134 Å²	134	80%	0.797	76%	0.763	S	S	*	*			trans	-60.8	140	176.2	-151.1	16.3	0	0	0	110.1	A34	A34-D36 PolarHBondContact O-N 3.26Å
37	P	38.3	Very low	37.4	Very low	105 Å²	105	130.3 Å²	130.3	68%	0.682	76%	0.758	S	S	*	*			trans	-59.8	144.2	-178.7	-23.2	34.8	0	0	0	111.4	E39	P37-E39 PolarHBondContact O-N 3.05Å
38	M	38.5	Very low	39.5	Very low	193 Å²	193	130.9 Å²	130.9	95%	0.951	74%	0.743	S	S	*	*			trans	-58.2	95	176.1	-105	-178.4	71.5	0	0	111.2	K40	M38-K40 PolarHBondContact O-N 2.82Å
39	E	33.7	Very low	42.7	Very low	174 Å²	174	129.1 Å²	129.1	81%	0.813	72%	0.72	S	S	*	*			trans	-60.4	124.9	173.3	-169.8	-178.7	-141.6	0	0	108.6	P37 S41	P37-E39 PolarHBondContact O-N 3.05Å; E39-S41 PolarHBondContact O-N 2.76Å
40	K	39	Very low	45.9	Very low	199 Å²	199	121.1 Å²	121.1	87%	0.865	68%	0.678	S	S	*	*			trans	-71.5	81.9	170.9	-79.9	179.3	175.6	171.9	0	108.3	M38 L42	M38-K40 PolarHBondContact O-N 2.82Å; K40-L42 PolarHBondContact O-N 3.25Å
41	S	35.5	Very low	49.3	Very low	104 Å²	104	114.8 Å²	114.8	73%	0.727	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-50.7	116.2	-179.9	51.7	0	0	0	0	110.4	E39	E39-S41 PolarHBondContact O-N 2.76Å
42	L	36.3	Very low	52.6	Low	153 Å²	153	110.9 Å²	110.9	80%	0.801	61%	0.606	S	S	*	*	P	Polyproline II helix	trans	-58.1	142.9	174.5	-70.7	167.1	0	0	0	108.5	K40	K40-L42 PolarHBondContact O-N 3.25Å
43	P	44.8	Very low	56	Low	95 Å²	95	102.8 Å²	102.8	62%	0.617	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-56.4	129.9	178.7	24.4	-33.8	0	0	0	108.9	T45	P43-T45 PolarHBondContact O-N 2.75Å
44	P	43	Very low	59.2	Low	82 Å²	82	96.3 Å²	96.3	53%	0.532	52%	0.524	S	S	.	.			trans	-58.2	112.4	-167.4	20.8	-33.2	0	0	0	110.6	L336	P44-L336 HydrophobicContact CB-CD2 4.43Å; P44-L336 HydrophobicContact CG-CD2 3.92Å
45	T	43.8	Very low	62.5	Low	113 Å²	113	91.9 Å²	91.9	69%	0.693	49%	0.487	S	S	*	.			trans	-66	144.7	170.1	50.8	0	0	0	0	108.5	P43 T47	P43-T45 PolarHBondContact O-N 2.75Å; T45-T47 VanDerWaalsContact C-N 3.29Å; T45-T47 PolarHBondContact O-N 2.66Å
46	F	56.9	Low	65.8	Low	72 Å²	72	83 Å²	83	32%	0.316	44%	0.443	S	S	.	.			trans	-66.4	85.8	-179.5	-70.6	-87.9	0	0	0	110.7	P50 L336 L360 R362 W377	F46-P50 HydrophobicContact CE1-CB 4.4Å; F46-P50 HydrophobicContact CE1-CG 4.14Å; F46-L336 HydrophobicContact CD1-CD1 4.4Å; F46-L336 HydrophobicContact CE1-CD1 3.8Å; F46-L336 HydrophobicContact CZ-CD1 4.47Å; F46-L360 HydrophobicContact CE1-CD2 4.14Å; F46-L360 HydrophobicContact CZ-CD2 3.89Å; F46-R362 VanDerWaalsContact CB-NH2 3.33Å; F46-R362 PolarHBondContact O-NH2 2.7Å; F46-W377 HydrophobicContact CZ-CZ2 4.42Å
47	T	65.8	Low	68.9	Low	124 Å²	124	75.9 Å²	75.9	76%	0.761	41%	0.405	S	S	*	.	S	Bend	trans	-71.2	-24.4	171.2	55.9	0	0	0	0	111.4	T45	T45-T47 VanDerWaalsContact C-N 3.29Å; T45-T47 PolarHBondContact O-N 2.66Å
48	R	86.5	Confident	71.8	Confident	147 Å²	147	70.9 Å²	70.9	56%	0.555	37%	0.373	S	S	*	.	S	Bend	trans	-139.9	163.4	172.7	-62	-175.5	-175.2	139.6	8.9	110.1
49	P	95.3	Very high	74.6	Confident	27 Å²	27	61.9 Å²	61.9	18%	0.175	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-59.9	149.5	165.8	-21.3	33.9	0	0	0	111.6	Y143 P231 N292	P49-Y143 HydrophobicContact CB-CE2 3.99Å; P49-Y143 WeakPolarHBondContact CB-OH 3.2Å; P49-P231 HydrophobicContact CB-CB 4.44Å; P49-N292 PolarHBondContact O-ND2 2.95Å
50	P	98	Very high	77.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-78.1	153.1	-179.6	33.1	-35.3	0	0	0	112	F46 Y143 N292 V294 L336 L360	F46-P50 HydrophobicContact CE1-CB 4.4Å; F46-P50 HydrophobicContact CE1-CG 4.14Å; P50-Y143 WeakPolarHBondContact O-CE1 3.4Å; P50-Y143 VanDerWaalsContact O-CZ 3.29Å; P50-Y143 PolarHBondContact O-OH 3.39Å; P50-N292 CarbonylContact C-O 3.55Å; P50-N292 VanDerWaalsContact CA-O 3.28Å; P50-N292 WeakPolarHBondContact CA-O 3.24Å; P50-N292 WeakPolarHBondContact CB-O 3.31Å; P50-V294 HydrophobicContact CB-CG2 3.96Å; P50-V294 HydrophobicContact CG-CG2 4.19Å; P50-L336 HydrophobicContact CB-CD1 3.73Å; P50-L360 VanDerWaalsContact CD-O 3.24Å; P50-L360 WeakPolarHBondContact CD-O 3.43Å; P50-L360 HydrophobicContact CG-CB 4.03Å; P50-L360 HydrophobicContact CG-CD2 4.28Å
51	H	98.8	Very high	80.5	Confident	4 Å²	4	44.1 Å²	44.1	2%	0.019	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	138.7	161.9	-48.6	-72.9	0	0	0	108.8	P228 K230 I232 Y289 N292 S293 V294	H51-P228 PolarHBondContact CE1-O 2.89Å; H51-P228 VanDerWaalsContact CE1-O 3.29Å; H51-K230 PolarHBondContact CE1-O 3.13Å; H51-K230 VanDerWaalsContact CE1-O 3.3Å; H51-I232 WeakPolarHBondContact CA-O 3.43Å; H51-I232 HydrophobicContact CB-CG2 3.86Å; H51-Y289 HydrophobicContact CB-CD1 4.45Å; H51-Y289 AromaticContact CD2-CD1 3.95Å; H51-Y289 PolarHBondContact CD2-O 2.87Å; H51-Y289 AromaticContact CE1-CD1 3.72Å; H51-Y289 AromaticContact CG-CD1 3.73Å; H51-Y289 AromaticContact ND1-CD1 3.58Å; H51-Y289 AromaticContact ND1-CE1 3.95Å; H51-Y289 AromaticContact NE2-CD1 3.96Å; H51-N292 PolarHBondContact CD2-O 3.37Å; H51-N292 PolarHBondContact N-O 3.29Å; H51-N292 PolarHBondContact NE2-ND2 3.5Å; H51-S293 CarbonylContact O-C 3.59Å; H51-S293 WeakPolarHBondContact O-CA 3.45Å; H51-V294 PolarHBondContact O-N 3.32Å
52	I	98.9	Very high	83.5	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	118.5	-176.8	-62.6	167.9	0	0	0	108.4	L138 Y143 I232 F233 I234 L357	I52-L138 HydrophobicContact CD1-CD2 4.19Å; I52-Y143 HydrophobicContact CB-CE1 4.48Å; I52-Y143 HydrophobicContact CD1-CE1 3.69Å; I52-Y143 HydrophobicContact CG1-CE1 3.98Å; I52-I232 PolarHBondContact N-O 3.29Å; I52-F233 HydrophobicContact CB-CD2 3.91Å; I52-F233 HydrophobicContact CG2-CD2 3.59Å; I52-F233 HydrophobicContact CG2-CE2 3.85Å; I52-F233 CarbonylContact O-C 3.37Å; I52-F233 VanDerWaalsContact O-CA 3.31Å; I52-F233 WeakPolarHBondContact O-CA 3.46Å; I52-I234 PolarHBondContact O-N 2.9Å; I52-L357 HydrophobicContact CD1-CB 4.23Å; I52-L357 HydrophobicContact CD1-CD2 4.23Å; I52-L357 HydrophobicContact CG1-CD2 4.41Å; I52-L357 HydrophobicContact CG2-CD1 4.1Å; I52-L357 HydrophobicContact CG2-CD2 3.66Å; I52-L357 HydrophobicContact CG2-CG 4.36Å
53	I	98.9	Very high	86.5	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	105.6	178.4	-50.7	-64.4	0	0	0	107.1	I55 I234 I280 L284 V294 I295 V296	I53-I55 HydrophobicContact CG2-CD1 4.41Å; I53-I55 HydrophobicContact CG2-CG1 4.11Å; I53-I234 HydrophobicContact CD1-CB 3.83Å; I53-I234 HydrophobicContact CD1-CD1 3.9Å; I53-I234 HydrophobicContact CD1-CG1 3.79Å; I53-I280 HydrophobicContact CG2-CG2 4.48Å; I53-L284 HydrophobicContact CD1-CD2 3.94Å; I53-L284 HydrophobicContact CG1-CD1 3.99Å; I53-L284 HydrophobicContact CG1-CD2 3.98Å; I53-V294 PolarHBondContact N-O 3.46Å; I53-I295 HydrophobicContact CB-CG1 4.35Å; I53-I295 HydrophobicContact CB-CG2 4.42Å; I53-I295 HydrophobicContact CG2-CG2 4.47Å; I53-I295 CarbonylContact O-C 3.56Å; I53-I295 WeakPolarHBondContact O-CA 3.44Å; I53-V296 PolarHBondContact O-N 2.75Å
54	F	98.9	Very high	89	Confident	1 Å²	1	29.6 Å²	29.6	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	112.5	179.2	-162.2	-71.9	0	0	0	109.4	L56 L103 F233 I234 Y235 V236 V296 W353 L357	F54-L56 HydrophobicContact CD1-CB 4.27Å; F54-L56 HydrophobicContact CE1-CB 4.1Å; F54-L56 HydrophobicContact CE1-CD1 4.11Å; F54-L103 HydrophobicContact CD1-CD2 4.06Å; F54-L103 HydrophobicContact CD2-CD1 4.3Å; F54-L103 HydrophobicContact CE1-CD1 4.12Å; F54-L103 HydrophobicContact CE1-CD2 3.65Å; F54-L103 HydrophobicContact CE2-CD1 3.7Å; F54-L103 HydrophobicContact CZ-CD1 3.61Å; F54-L103 HydrophobicContact CZ-CD2 3.99Å; F54-L103 HydrophobicContact CZ-CG 4.48Å; F54-F233 HydrophobicContact CB-CE2 4.03Å; F54-I234 PolarHBondContact N-O 3.25Å; F54-Y235 HydrophobicContact CB-CD2 4.4Å; F54-Y235 HydrophobicContact CD1-CD2 4.13Å; F54-Y235 HydrophobicContact CD1-CE2 4.2Å; F54-V236 PolarHBondContact O-N 3.1Å; F54-V296 HydrophobicContact CD2-CB 3.74Å; F54-V296 HydrophobicContact CD2-CG1 3.88Å; F54-V296 HydrophobicContact CD2-CG2 4.26Å; F54-V296 HydrophobicContact CE2-CB 3.91Å; F54-V296 HydrophobicContact CE2-CG1 3.48Å; F54-V296 VanDerWaalsContact CE2-CG1 3.48Å; F54-V296 HydrophobicContact CE2-CG2 4.49Å; F54-V296 HydrophobicContact CG-CB 4.38Å; F54-V296 HydrophobicContact CZ-CG1 3.97Å; F54-W353 HydrophobicContact CE2-CB 4.09Å; F54-W353 AromaticContact CE2-CD1 3.65Å; F54-W353 AromaticContact CE2-CD2 3.84Å; F54-W353 HydrophobicContact CE2-CD2 3.84Å; F54-W353 AromaticContact CE2-CG 3.6Å; F54-W353 HydrophobicContact CE2-CG 3.6Å; F54-W353 AromaticContact CE2-NE1 3.94Å; F54-W353 AromaticContact CZ-CD1 3.76Å; F54-W353 HydrophobicContact CZ-CG 4.18Å; F54-W353 AromaticContact CZ-NE1 3.92Å; F54-L357 HydrophobicContact CD2-CD1 4Å
55	I	98.9	Very high	91.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	117.6	179.3	-52.1	-176.2	0	0	0	108	I53 V236 F238 V277 I295 V296 F297 S298	I53-I55 HydrophobicContact CG2-CD1 4.41Å; I53-I55 HydrophobicContact CG2-CG1 4.11Å; I55-V236 HydrophobicContact CG1-CB 4.35Å; I55-F238 HydrophobicContact CG2-CD2 3.78Å; I55-F238 HydrophobicContact CG2-CE2 3.65Å; I55-V277 HydrophobicContact CD1-CG1 4.11Å; I55-V277 HydrophobicContact CD1-CG2 4.09Å; I55-V277 HydrophobicContact CG2-CG2 4.19Å; I55-I295 HydrophobicContact CD1-CG2 4.15Å; I55-V296 PolarHBondContact N-O 2.77Å; I55-F297 HydrophobicContact CB-CD2 3.95Å; I55-F297 HydrophobicContact CG2-CD2 3.75Å; I55-F297 HydrophobicContact CG2-CE2 3.9Å; I55-F297 WeakPolarHBondContact O-CA 3.47Å; I55-S298 PolarHBondContact O-N 3.4Å
56	L	98.9	Very high	94.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	119.9	178.5	-172.1	71.3	0	0	0	109.1	F54 R100 L103 Y235 V236 A237 F238 S298 T299 D300	F54-L56 HydrophobicContact CD1-CB 4.27Å; F54-L56 HydrophobicContact CE1-CB 4.1Å; F54-L56 HydrophobicContact CE1-CD1 4.11Å; L56-R100 HydrophobicContact CD2-CG 3.84Å; L56-L103 HydrophobicContact CD2-CD2 4.19Å; L56-Y235 HydrophobicContact CB-CE2 3.94Å; L56-Y235 HydrophobicContact CD2-CE2 4.01Å; L56-Y235 VanDerWaalsContact CD2-OH 3.25Å; L56-Y235 WeakPolarHBondContact CD2-OH 2.98Å; L56-V236 PolarHBondContact N-O 2.84Å; L56-A237 CarbonylContact O-C 3.56Å; L56-F238 PolarHBondContact O-N 2.76Å; L56-S298 CarbonylContact C-O 3.59Å; L56-S298 VanDerWaalsContact CA-O 3.3Å; L56-S298 WeakPolarHBondContact CA-O 3.39Å; L56-T299 WeakPolarHBondContact CD1-O 3.29Å; L56-D300 HydrophobicContact CD1-CB 3.85Å; L56-D300 HydrophobicContact CD2-CB 3.88Å; L56-D300 HydrophobicContact CG-CB 3.93Å
57	T	98.8	Very high	96.1	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	164.8	170.2	55.1	0	0	0	0	111.4	Q60 F238 A240 M273 F297 S298 T299 D300	T57-Q60 WeakPolarHBondContact OG1-CB 3.17Å; T57-Q60 PolarHBondContact OG1-OE1 3.3Å; T57-F238 HydrophobicContact CG2-CD2 4.36Å; T57-A240 WeakPolarHBondContact CB-O 3.47Å; T57-M273 HydrophobicContact CG2-CE 3.85Å; T57-M273 HydrophobicContact CG2-CG 3.83Å; T57-M273 HydrophobicContact CG2-SD 3.59Å; T57-M273 VanDerWaalsContact CG2-SD 3.59Å; T57-F297 HydrophobicContact CG2-CE2 3.86Å; T57-F297 HydrophobicContact CG2-CZ 3.62Å; T57-S298 PolarHBondContact N-O 2.96Å; T57-S298 PolarHBondContact OG1-O 3.21Å; T57-T299 CarbonylContact O-C 3.6Å; T57-D300 PolarHBondContact O-N 3.21Å
58	D	98.5	Very high	97.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.074	C	C	.	.	S	Bend	trans	-123.5	121.4	-167.7	-162.4	13.7	0	0	0	107.7	Q60 C96 R100 K150 F238 Q239 A240 V241 H242 D300	D58-Q60 PolarHBondContact O-N 3.11Å; D58-C96 PolarHBondContact OD1-SG 3.26Å; D58-C96 VanDerWaalsContact OD1-SG 3.34Å; D58-R100 VanDerWaalsContact CG-NH2 3.29Å; D58-R100 IonicContact OD1-NH2 3.41Å; D58-R100 PolarHBondContact OD1-NH2 3.04Å; D58-R100 IonicContact OD2-NH2 2.66Å; D58-K150 IonicContact OD1-NZ 2.72Å; D58-K150 PolarHBondContact OD1-NZ 3.26Å; D58-K150 WeakPolarHBondContact OD2-CD 3.4Å; D58-K150 WeakPolarHBondContact OD2-CE 3.31Å; D58-K150 IonicContact OD2-NZ 2.65Å; D58-K150 PolarHBondContact OD2-NZ 3.39Å; D58-F238 WeakPolarHBondContact CB-O 3.5Å; D58-Q239 WeakPolarHBondContact CB-O 3.39Å; D58-A240 PolarHBondContact N-O 2.96Å; D58-A240 CarbonylContact O-C 3.57Å; D58-V241 CarbonylContact O-C 3.57Å; D58-V241 WeakPolarHBondContact O-CA 3.05Å; D58-V241 PolarHBondContact O-N 2.94Å; D58-H242 HydrophobicContact CB-CB 3.97Å; D58-H242 VanDerWaalsContact CG-CB 3.46Å; D58-H242 PolarHBondContact O-N 2.92Å; D58-H242 VanDerWaalsContact O-N 3.13Å; D58-H242 IonicContact OD1-CD2 3.8Å; D58-H242 PolarHBondContact OD1-CD2 3.11Å; D58-H242 VanDerWaalsContact OD2-CB 3.27Å; D58-H242 WeakPolarHBondContact OD2-CB 3.15Å; D58-H242 IonicContact OD2-CD2 2.93Å; D58-H242 IonicContact OD2-CG 3.83Å; D58-D300 WeakPolarHBondContact CA-OD1 3.26Å
59	D	98.1	Very high	98.1	Very high	5 Å²	5	11.3 Å²	11.3	3%	0.027	8%	0.075	C	C	.	.	S	Bend	trans	56.3	26.7	-174.8	-63.7	12.7	0	0	0	115.7	G61 H242 Y266 D300 N301 G303 K318	D59-G61 PolarHBondContact O-N 3.42Å; D59-H242 VanDerWaalsContact CG-CD2 3.44Å; D59-H242 IonicContact OD1-CD2 3.25Å; D59-H242 PolarHBondContact OD1-CD2 3.48Å; D59-H242 IonicContact OD2-CD2 3.59Å; D59-H242 PolarHBondContact OD2-CD2 3.45Å; D59-H242 IonicContact OD2-CG 2.77Å; D59-H242 IonicContact OD2-NE2 3.79Å; D59-Y266 PolarHBondContact O-OH 3.06Å; D59-D300 PolarHBondContact N-OD1 3.21Å; D59-N301 PolarHBondContact OD1-ND2 3.4Å; D59-G303 WeakPolarHBondContact O-CA 3.43Å; D59-K318 VanDerWaalsContact OD1-CD 3.3Å; D59-K318 WeakPolarHBondContact OD1-CD 3.31Å; D59-K318 VanDerWaalsContact OD1-CE 3.31Å; D59-K318 WeakPolarHBondContact OD1-CE 3.46Å; D59-K318 IonicContact OD1-NZ 3.54Å; D59-K318 PolarHBondContact OD1-NZ 3.43Å; D59-K318 VanDerWaalsContact OD2-CD 3.25Å; D59-K318 WeakPolarHBondContact OD2-CD 3.35Å; D59-K318 IonicContact OD2-NZ 2.77Å; D59-K318 PolarHBondContact OD2-NZ 2.88Å
60	Q	98.5	Very high	98.2	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	7%	0.073	C	C	.	.			trans	-80.5	116.2	173.6	-161.6	176.1	-1.4	0	0	110.9	T57 D58 D64 V241 Y266 T299 I329	T57-Q60 WeakPolarHBondContact OG1-CB 3.17Å; T57-Q60 PolarHBondContact OG1-OE1 3.3Å; D58-Q60 PolarHBondContact O-N 3.11Å; Q60-D64 HydrophobicContact CG-CB 4.05Å; Q60-D64 PolarHBondContact NE2-O 3.09Å; Q60-V241 HydrophobicContact CB-CG2 4Å; Q60-V241 HydrophobicContact CG-CG2 4.25Å; Q60-Y266 WeakPolarHBondContact CA-OH 3.18Å; Q60-T299 PolarHBondContact N-OG1 3.49Å; Q60-T299 WeakPolarHBondContact O-CB 3.42Å; Q60-T299 PolarHBondContact O-OG1 2.82Å; Q60-T299 VanDerWaalsContact O-OG1 3.06Å; Q60-I329 HydrophobicContact CB-CD1 3.99Å; Q60-I329 HydrophobicContact CG-CD1 3.59Å
61	G	98.1	Very high	97.9	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	9%	0.088	C	C	.	.			trans	-79.4	163.3	-174.8	0	0	0	0	0	114.8	D59 H63 D64 Y266 S310 N311	D59-G61 PolarHBondContact O-N 3.42Å; G61-H63 PolarHBondContact O-N 3.29Å; G61-D64 WeakPolarHBondContact CA-OD2 3.22Å; G61-D64 PolarHBondContact N-OD2 3.07Å; G61-D64 WeakPolarHBondContact O-CB 3.37Å; G61-D64 PolarHBondContact O-N 3.5Å; G61-D64 VanDerWaalsContact O-N 3.09Å; G61-Y266 PolarHBondContact N-OH 2.98Å; G61-S310 CarbonylContact C-O 3.52Å; G61-S310 VanDerWaalsContact C-O 3.25Å; G61-S310 WeakPolarHBondContact CA-O 3.32Å; G61-N311 WeakPolarHBondContact CA-OD1 3.4Å
62	Y	98.4	Very high	97.8	Very high	23 Å²	23	13.8 Å²	13.8	9%	0.09	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-30.1	-178	-163.1	-97.9	0	0	0	112.9	H68 E88 S310 N311 L314 R327 I329	Y62-H68 AromaticContact CD1-ND1 3.83Å; Y62-H68 AromaticContact CE1-CE1 3.77Å; Y62-H68 AromaticContact CE1-ND1 3.71Å; Y62-H68 AromaticContact CE2-CE1 3.58Å; Y62-H68 AromaticContact CZ-CE1 3.42Å; Y62-H68 VanDerWaalsContact CZ-CE1 3.42Å; Y62-H68 AromaticContact CZ-ND1 3.85Å; Y62-H68 AromaticContact CZ-NE2 3.97Å; Y62-H68 WeakPolarHBondContact O-CB 3.24Å; Y62-H68 PolarHBondContact O-ND1 2.68Å; Y62-E88 PolarHBondContact OH-OE2 2.76Å; Y62-S310 PolarHBondContact N-O 3.01Å; Y62-N311 PolarHBondContact N-OD1 3.28Å; Y62-N311 VanDerWaalsContact N-OD1 3.14Å; Y62-L314 HydrophobicContact CD1-CD1 3.83Å; Y62-L314 HydrophobicContact CD1-CG 3.96Å; Y62-L314 HydrophobicContact CD2-CD1 3.73Å; Y62-L314 HydrophobicContact CE1-CD1 4.39Å; Y62-L314 HydrophobicContact CE1-CG 4.47Å; Y62-L314 HydrophobicContact CE2-CD1 4.28Å; Y62-L314 HydrophobicContact CG-CD1 3.47Å; Y62-L314 VanDerWaalsContact CG-CD1 3.47Å; Y62-L314 HydrophobicContact CG-CG 4.1Å; Y62-R327 HydrophobicContact CE2-CG 4.29Å; Y62-I329 HydrophobicContact CD2-CG2 4.21Å
63	H	97.9	Very high	97.7	Very high	23 Å²	23	19 Å²	19	11%	0.106	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	24.5	179.6	-158.2	72.4	0	0	0	113.2	G61 H68 S70 R263 S310 W312 P442	G61-H63 PolarHBondContact O-N 3.29Å; H63-H68 PolarHBondContact CE1-O 2.81Å; H63-H68 VanDerWaalsContact CE1-O 3.31Å; H63-H68 PolarHBondContact ND1-O 2.89Å; H63-S70 WeakPolarHBondContact O-CB 3.44Å; H63-S70 PolarHBondContact O-OG 3.22Å; H63-R263 PolarHBondContact O-NH2 2.75Å; H63-S310 WeakPolarHBondContact CA-O 3.49Å; H63-S310 WeakPolarHBondContact CB-O 3.18Å; H63-S310 PolarHBondContact N-O 2.75Å; H63-W312 HydrophobicContact CB-CB 4.34Å; H63-W312 WeakPolarHBondContact CB-O 3.17Å; H63-W312 PolarHBondContact ND1-O 3.01Å; H63-P442 WeakPolarHBondContact CD2-CG 3.1Å
64	D	98.4	Very high	97.7	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.113	C	C	.	.	S	Bend	trans	-113.8	31.6	-177.5	-58.5	-43.8	0	0	0	112.6	Q60 G61 I72 R263 Y266 G309 S310	Q60-D64 HydrophobicContact CG-CB 4.05Å; Q60-D64 PolarHBondContact NE2-O 3.09Å; G61-D64 WeakPolarHBondContact CA-OD2 3.22Å; G61-D64 PolarHBondContact N-OD2 3.07Å; G61-D64 WeakPolarHBondContact O-CB 3.37Å; G61-D64 PolarHBondContact O-N 3.5Å; G61-D64 VanDerWaalsContact O-N 3.09Å; D64-I72 HydrophobicContact CB-CD1 4.1Å; D64-R263 IonicContact OD1-CZ 3.16Å; D64-R263 VanDerWaalsContact OD1-CZ 3.25Å; D64-R263 IonicContact OD1-NH1 3.71Å; D64-R263 PolarHBondContact OD1-NH1 2.93Å; D64-R263 IonicContact OD1-NH2 3.95Å; D64-R263 PolarHBondContact OD1-NH2 2.89Å; D64-Y266 HydrophobicContact CB-CE1 3.99Å; D64-Y266 PolarHBondContact OD2-OH 3.01Å; D64-G309 WeakPolarHBondContact OD2-CA 3.46Å; D64-S310 PolarHBondContact OD1-N 2.78Å; D64-S310 PolarHBondContact OD2-N 2.82Å
65	V	98.1	Very high	97.7	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.138	C	C	.	.	S	Bend	trans	-141.3	140.3	171.9	-69.7	0	0	0	0	110.9	Y67 H68 S70 T74 L77 I329	V65-Y67 VanDerWaalsContact C-N 3.28Å; V65-Y67 HydrophobicContact CB-CD1 3.88Å; V65-Y67 HydrophobicContact CB-CE1 3.69Å; V65-Y67 HydrophobicContact CG1-CE1 3.96Å; V65-Y67 HydrophobicContact CG2-CD1 3.96Å; V65-Y67 HydrophobicContact CG2-CD2 4.16Å; V65-Y67 HydrophobicContact CG2-CE1 3.7Å; V65-Y67 HydrophobicContact CG2-CE2 3.93Å; V65-Y67 HydrophobicContact CG2-CG 4.19Å; V65-Y67 PolarHBondContact O-N 2.96Å; V65-H68 HydrophobicContact CG2-CB 3.96Å; V65-H68 PolarHBondContact O-N 3.23Å; V65-S70 VanDerWaalsContact C-CB 3.45Å; V65-S70 WeakPolarHBondContact O-CB 3.43Å; V65-S70 PolarHBondContact O-N 3.28Å; V65-T74 WeakPolarHBondContact CA-OG1 3.42Å; V65-L77 HydrophobicContact CG1-CD1 4.15Å; V65-I329 HydrophobicContact CG1-CD1 3.77Å; V65-I329 HydrophobicContact CG2-CG2 4.09Å
66	G	97.9	Very high	97.7	Very high	26 Å²	26	23.9 Å²	23.9	27%	0.268	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-59.7	-34.8	-178.1	0	0	0	0	0	113.3	H68 G69 T74 D78	G66-H68 PolarHBondContact O-N 3.46Å; G66-H68 VanDerWaalsContact O-N 3.1Å; G66-G69 PolarHBondContact O-N 3.06Å; G66-T74 PolarHBondContact N-OG1 3.12Å; G66-D78 WeakPolarHBondContact CA-OD1 3.32Å; G66-D78 PolarHBondContact N-OD1 3.42Å
67	Y	97.4	Very high	97.7	Very high	38 Å²	38	23.9 Å²	23.9	15%	0.149	14%	0.144	C	C	.	.	G	3₁₀ helix	trans	-68	-4.4	175.3	71.2	-100	0	0	0	115.5	V65 D78 A81 K86 F331	V65-Y67 VanDerWaalsContact C-N 3.28Å; V65-Y67 HydrophobicContact CB-CD1 3.88Å; V65-Y67 HydrophobicContact CB-CE1 3.69Å; V65-Y67 HydrophobicContact CG1-CE1 3.96Å; V65-Y67 HydrophobicContact CG2-CD1 3.96Å; V65-Y67 HydrophobicContact CG2-CD2 4.16Å; V65-Y67 HydrophobicContact CG2-CE1 3.7Å; V65-Y67 HydrophobicContact CG2-CE2 3.93Å; V65-Y67 HydrophobicContact CG2-CG 4.19Å; V65-Y67 PolarHBondContact O-N 2.96Å; Y67-D78 WeakPolarHBondContact CD1-OD1 3.46Å; Y67-D78 PolarHBondContact N-OD1 3.01Å; Y67-A81 HydrophobicContact CD1-CB 3.93Å; Y67-A81 HydrophobicContact CE1-CB 3.99Å; Y67-A81 HydrophobicContact CG-CB 4.36Å; Y67-K86 HydrophobicContact CD2-CD 3.49Å; Y67-K86 VanDerWaalsContact CD2-CD 3.49Å; Y67-K86 HydrophobicContact CE2-CD 3.89Å; Y67-K86 HydrophobicContact CG-CD 4.1Å; Y67-F331 HydrophobicContact CE1-CD1 4.18Å; Y67-F331 HydrophobicContact CE1-CE1 4.41Å
68	H	98	Very high	97.7	Very high	34 Å²	34	25.9 Å²	25.9	16%	0.157	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-111.1	15.6	166.5	-66.9	168.3	0	0	0	113.2	Y62 H63 V65 G66 E88	Y62-H68 AromaticContact CD1-ND1 3.83Å; Y62-H68 AromaticContact CE1-CE1 3.77Å; Y62-H68 AromaticContact CE1-ND1 3.71Å; Y62-H68 AromaticContact CE2-CE1 3.58Å; Y62-H68 AromaticContact CZ-CE1 3.42Å; Y62-H68 VanDerWaalsContact CZ-CE1 3.42Å; Y62-H68 AromaticContact CZ-ND1 3.85Å; Y62-H68 AromaticContact CZ-NE2 3.97Å; Y62-H68 WeakPolarHBondContact O-CB 3.24Å; Y62-H68 PolarHBondContact O-ND1 2.68Å; H63-H68 PolarHBondContact CE1-O 2.81Å; H63-H68 VanDerWaalsContact CE1-O 3.31Å; H63-H68 PolarHBondContact ND1-O 2.89Å; V65-H68 HydrophobicContact CG2-CB 3.96Å; V65-H68 PolarHBondContact O-N 3.23Å; G66-H68 PolarHBondContact O-N 3.46Å; G66-H68 VanDerWaalsContact O-N 3.1Å; H68-E88 IonicContact CE1-OE2 3.27Å; H68-E88 IonicContact NE2-OE1 2.72Å; H68-E88 IonicContact NE2-OE2 3.01Å; H68-E88 PolarHBondContact NE2-OE2 3.02Å; H68-E88 VanDerWaalsContact NE2-OE2 3.16Å
69	G	95.9	Very high	97.7	Very high	56 Å²	56	33 Å²	33	58%	0.577	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.2	19.5	177	0	0	0	0	0	114.9	G66	G66-G69 PolarHBondContact O-N 3.06Å
70	S	96.2	Very high	97.7	Very high	19 Å²	19	33.2 Å²	33.2	13%	0.133	18%	0.183	C	C	.	.			trans	-63.1	151.1	-178.5	-163.3	0	0	0	0	113.7	H63 V65 I72 R263	H63-S70 WeakPolarHBondContact O-CB 3.44Å; H63-S70 PolarHBondContact O-OG 3.22Å; V65-S70 VanDerWaalsContact C-CB 3.45Å; V65-S70 WeakPolarHBondContact O-CB 3.43Å; V65-S70 PolarHBondContact O-N 3.28Å; S70-I72 PolarHBondContact O-N 3.26Å; S70-I72 PolarHBondContact OG-N 3.29Å; S70-R263 PolarHBondContact OG-NH2 2.77Å
71	D	92.8	Very high	97.7	Very high	61 Å²	61	33.2 Å²	33.2	33%	0.326	18%	0.183	S	C	.	.	S	Bend	trans	-75.7	-2	165.4	58.8	-15.3	0	0	0	113.3	M258 R263 Q443	D71-M258 HydrophobicContact CB-CE 3.85Å; D71-M258 VanDerWaalsContact CG-CE 3.48Å; D71-M258 VanDerWaalsContact O-CE 3.22Å; D71-M258 WeakPolarHBondContact O-CE 3.41Å; D71-M258 WeakPolarHBondContact OD2-CE 3.28Å; D71-R263 IonicContact OD1-CZ 2.68Å; D71-R263 VanDerWaalsContact OD1-CZ 3.27Å; D71-R263 IonicContact OD1-NE 3.1Å; D71-R263 PolarHBondContact OD1-NE 3.17Å; D71-R263 IonicContact OD1-NH2 3.27Å; D71-R263 PolarHBondContact OD1-NH2 3.04Å; D71-R263 IonicContact OD2-NE 2.7Å; D71-R263 PolarHBondContact OD2-NE 3.23Å; D71-Q443 PolarHBondContact OD2-NE2 3.24Å
72	I	97.2	Very high	97.8	Very high	3 Å²	3	36.3 Å²	36.3	2%	0.015	21%	0.208	C	C	.	.	S	Bend	trans	-97.9	132.4	177.9	-52.7	178.9	0	0	0	110.3	D64 S70 T74 M258 Y266 A267 V270	D64-I72 HydrophobicContact CB-CD1 4.1Å; S70-I72 PolarHBondContact O-N 3.26Å; S70-I72 PolarHBondContact OG-N 3.29Å; I72-T74 HydrophobicContact CG2-CG2 4.49Å; I72-T74 PolarHBondContact O-N 3.2Å; I72-M258 HydrophobicContact CG1-CE 4.34Å; I72-Y266 HydrophobicContact CD1-CD1 3.97Å; I72-Y266 HydrophobicContact CD1-CE1 4.08Å; I72-A267 HydrophobicContact CB-CB 4.45Å; I72-A267 HydrophobicContact CD1-CB 4.03Å; I72-A267 HydrophobicContact CG1-CB 3.76Å; I72-A267 HydrophobicContact CG2-CB 4.08Å; I72-V270 HydrophobicContact CD1-CG2 4.3Å; I72-V270 HydrophobicContact CG2-CB 3.7Å; I72-V270 HydrophobicContact CG2-CG1 3.56Å; I72-V270 HydrophobicContact CG2-CG2 4.33Å
73	Q	95.9	Very high	97.8	Very high	109 Å²	109	37.6 Å²	37.6	51%	0.509	22%	0.215	S	C	.	.			trans	-83.8	109.1	-176.8	-58.4	175.6	-1.9	0	0	111.2	P75 Y255	Q73-P75 WeakPolarHBondContact O-CD 3.26Å; Q73-Y255 WeakPolarHBondContact CB-OH 3.5Å; Q73-Y255 HydrophobicContact CG-CE1 4.38Å; Q73-Y255 PolarHBondContact N-OH 3.01Å
74	T	98.6	Very high	97.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	21%	0.21	C	C	.	.			trans	-122.7	53.8	176	56.1	0	0	0	0	113.1	V65 G66 I72 T76 L77 D78 V270 D274	V65-T74 WeakPolarHBondContact CA-OG1 3.42Å; G66-T74 PolarHBondContact N-OG1 3.12Å; I72-T74 HydrophobicContact CG2-CG2 4.49Å; I72-T74 PolarHBondContact O-N 3.2Å; T74-T76 PolarHBondContact O-N 2.63Å; T74-T76 VanDerWaalsContact O-N 3.09Å; T74-L77 HydrophobicContact CG2-CD1 4.12Å; T74-L77 PolarHBondContact O-N 3.25Å; T74-L77 VanDerWaalsContact O-N 3.1Å; T74-D78 VanDerWaalsContact C-OD2 3.32Å; T74-D78 WeakPolarHBondContact O-CB 3.4Å; T74-D78 PolarHBondContact O-N 2.84Å; T74-D78 PolarHBondContact OG1-OD1 3.41Å; T74-D78 PolarHBondContact OG1-OD2 2.69Å; T74-V270 HydrophobicContact CG2-CG1 3.43Å; T74-V270 VanDerWaalsContact CG2-CG1 3.43Å; T74-D274 VanDerWaalsContact CA-OD1 3.24Å; T74-D274 WeakPolarHBondContact CA-OD1 3.4Å; T74-D274 VanDerWaalsContact O-OD1 3.12Å
75	P	98.6	Very high	97.8	Very high	84 Å²	84	36.5 Å²	36.5	55%	0.545	21%	0.21	S	C	.	.	H	α-helix	trans	-62.3	-23.9	-169.5	28	-37.1	0	0	0	114.1	Q73 R79 D274	Q73-P75 WeakPolarHBondContact O-CD 3.26Å; P75-R79 VanDerWaalsContact O-CB 3.24Å; P75-R79 WeakPolarHBondContact O-CB 3.39Å; P75-R79 PolarHBondContact O-N 2.86Å; P75-D274 WeakPolarHBondContact CD-OD2 3.47Å
76	T	98.9	Very high	97.9	Very high	21 Å²	21	38.5 Å²	38.5	13%	0.129	22%	0.219	C	C	.	.	H	α-helix	trans	-78.2	-46.1	175.3	-46.7	0	0	0	0	110.8	T74 R79 L80 D274 V277 K278	T74-T76 PolarHBondContact O-N 2.63Å; T74-T76 VanDerWaalsContact O-N 3.09Å; T76-R79 PolarHBondContact O-N 3.42Å; T76-L80 HydrophobicContact CG2-CD1 4.01Å; T76-L80 HydrophobicContact CG2-CG 4.48Å; T76-L80 WeakPolarHBondContact O-CB 3.22Å; T76-L80 VanDerWaalsContact O-CG 3.23Å; T76-L80 WeakPolarHBondContact O-CG 3.37Å; T76-L80 PolarHBondContact O-N 3Å; T76-D274 WeakPolarHBondContact CA-OD1 3.36Å; T76-D274 VanDerWaalsContact CB-CG 3.45Å; T76-D274 VanDerWaalsContact CB-OD1 3.23Å; T76-D274 WeakPolarHBondContact CB-OD1 3.42Å; T76-D274 WeakPolarHBondContact CB-OD2 3.48Å; T76-D274 PolarHBondContact N-OD1 2.99Å; T76-D274 PolarHBondContact N-OD2 3.35Å; T76-D274 VanDerWaalsContact N-OD2 3.17Å; T76-D274 PolarHBondContact OG1-OD2 3.47Å; T76-V277 HydrophobicContact CG2-CG1 4.34Å; T76-K278 HydrophobicContact CG2-CB 3.92Å
77	L	98.9	Very high	97.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-45.9	175.8	-57.8	-176.5	0	0	0	111.2	V65 T74 R79 L80 A81 M273 D274 V277 F297 F331	V65-L77 HydrophobicContact CG1-CD1 4.15Å; T74-L77 HydrophobicContact CG2-CD1 4.12Å; T74-L77 PolarHBondContact O-N 3.25Å; T74-L77 VanDerWaalsContact O-N 3.1Å; L77-R79 VanDerWaalsContact C-N 3.3Å; L77-R79 PolarHBondContact O-N 3.33Å; L77-L80 PolarHBondContact O-N 3.26Å; L77-A81 WeakPolarHBondContact O-CB 3.29Å; L77-A81 PolarHBondContact O-N 3.27Å; L77-M273 HydrophobicContact CD1-CE 3.83Å; L77-M273 HydrophobicContact CD1-SD 4.2Å; L77-D274 PolarHBondContact N-OD1 3.09Å; L77-V277 HydrophobicContact CD2-CB 4.27Å; L77-V277 HydrophobicContact CD2-CG1 4.03Å; L77-V277 HydrophobicContact CD2-CG2 4.19Å; L77-F297 HydrophobicContact CD1-CE1 4.08Å; L77-F297 HydrophobicContact CD1-CE2 4.1Å; L77-F297 HydrophobicContact CD1-CZ 3.6Å; L77-F297 HydrophobicContact CD2-CD2 3.76Å; L77-F297 HydrophobicContact CD2-CE1 4.41Å; L77-F297 HydrophobicContact CD2-CE2 3.47Å; L77-F297 VanDerWaalsContact CD2-CE2 3.47Å; L77-F297 HydrophobicContact CD2-CG 4.35Å; L77-F297 HydrophobicContact CD2-CZ 3.83Å; L77-F297 HydrophobicContact CG-CE2 4.46Å; L77-F297 HydrophobicContact CG-CZ 4.39Å; L77-F331 HydrophobicContact CB-CE1 4.1Å; L77-F331 HydrophobicContact CB-CZ 4.45Å; L77-F331 HydrophobicContact CD2-CE1 4.15Å; L77-F331 HydrophobicContact CD2-CZ 3.99Å
78	D	98.9	Very high	98	Very high	42 Å²	42	36.4 Å²	36.4	23%	0.225	20%	0.204	C	C	.	.	H	α-helix	trans	-57.8	-44.1	178.5	-58.8	-24.6	0	0	0	110.8	G66 Y67 T74 A82	G66-D78 WeakPolarHBondContact CA-OD1 3.32Å; G66-D78 PolarHBondContact N-OD1 3.42Å; Y67-D78 WeakPolarHBondContact CD1-OD1 3.46Å; Y67-D78 PolarHBondContact N-OD1 3.01Å; T74-D78 VanDerWaalsContact C-OD2 3.32Å; T74-D78 WeakPolarHBondContact O-CB 3.4Å; T74-D78 PolarHBondContact O-N 2.84Å; T74-D78 PolarHBondContact OG1-OD1 3.41Å; T74-D78 PolarHBondContact OG1-OD2 2.69Å; D78-A82 WeakPolarHBondContact O-CB 3.21Å; D78-A82 PolarHBondContact O-N 3.49Å
79	R	98.8	Very high	98	Very high	149 Å²	149	35.7 Å²	35.7	56%	0.562	20%	0.201	S	C	*	.	H	α-helix	trans	-64.5	-49.2	175.2	180	179.9	177.2	158.4	10.6	112.4	P75 T76 L77 A81 A82 E83	P75-R79 VanDerWaalsContact O-CB 3.24Å; P75-R79 WeakPolarHBondContact O-CB 3.39Å; P75-R79 PolarHBondContact O-N 2.86Å; T76-R79 PolarHBondContact O-N 3.42Å; L77-R79 VanDerWaalsContact C-N 3.3Å; L77-R79 PolarHBondContact O-N 3.33Å; R79-A81 VanDerWaalsContact C-N 3.3Å; R79-A81 PolarHBondContact O-N 2.94Å; R79-A82 PolarHBondContact O-N 2.94Å; R79-E83 HydrophobicContact CG-CG 4.35Å; R79-E83 IonicContact CZ-OE1 2.71Å; R79-E83 IonicContact NE-OE1 3.7Å; R79-E83 PolarHBondContact NE-OE1 2.86Å; R79-E83 IonicContact NE-OE2 2.88Å; R79-E83 IonicContact NH2-OE1 3.39Å; R79-E83 PolarHBondContact NH2-OE1 2.76Å; R79-E83 WeakPolarHBondContact O-CB 3.13Å; R79-E83 WeakPolarHBondContact O-CG 3.21Å; R79-E83 PolarHBondContact O-N 2.63Å
80	L	98.9	Very high	98.1	Very high	9 Å²	9	33 Å²	33	5%	0.047	17%	0.174	C	C	.	.	H	α-helix	trans	-63.4	-39.9	-177.7	-70.4	167.3	0	0	0	111.3	T76 L77 G84 V277 T281 F331 H333	T76-L80 HydrophobicContact CG2-CD1 4.01Å; T76-L80 HydrophobicContact CG2-CG 4.48Å; T76-L80 WeakPolarHBondContact O-CB 3.22Å; T76-L80 VanDerWaalsContact O-CG 3.23Å; T76-L80 WeakPolarHBondContact O-CG 3.37Å; T76-L80 PolarHBondContact O-N 3Å; L77-L80 PolarHBondContact O-N 3.26Å; L80-G84 PolarHBondContact O-N 3.47Å; L80-V277 HydrophobicContact CD1-CG1 3.65Å; L80-T281 HydrophobicContact CD1-CG2 3.97Å; L80-T281 HydrophobicContact CD2-CG2 4.16Å; L80-F331 HydrophobicContact CB-CD2 4.38Å; L80-F331 HydrophobicContact CB-CE2 3.51Å; L80-F331 HydrophobicContact CB-CZ 3.77Å; L80-F331 HydrophobicContact CD1-CE2 4.4Å; L80-F331 HydrophobicContact CD1-CZ 4.31Å; L80-H333 HydrophobicContact CB-CB 4.25Å; L80-H333 HydrophobicContact CD2-CB 4.34Å; L80-H333 PolarHBondContact O-ND1 2.88Å
81	A	98.8	Very high	98.2	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.008	17%	0.167	C	C	.	.	H	α-helix	trans	-62.5	-48.2	173.4	0	0	0	0	0	112	Y67 L77 R79 G84 K86 F331	Y67-A81 HydrophobicContact CD1-CB 3.93Å; Y67-A81 HydrophobicContact CE1-CB 3.99Å; Y67-A81 HydrophobicContact CG-CB 4.36Å; L77-A81 WeakPolarHBondContact O-CB 3.29Å; L77-A81 PolarHBondContact O-N 3.27Å; R79-A81 VanDerWaalsContact C-N 3.3Å; R79-A81 PolarHBondContact O-N 2.94Å; A81-G84 CarbonylContact O-C 3.6Å; A81-G84 PolarHBondContact O-N 2.93Å; A81-K86 HydrophobicContact CB-CD 4.24Å; A81-K86 HydrophobicContact CB-CG 3.99Å; A81-F331 HydrophobicContact CB-CB 4.14Å; A81-F331 HydrophobicContact CB-CD1 3.78Å; A81-F331 HydrophobicContact CB-CE1 4.29Å; A81-F331 HydrophobicContact CB-CG 3.91Å
82	A	98.7	Very high	98.5	Very high	64 Å²	64	29.2 Å²	29.2	53%	0.529	15%	0.152	S	C	.	.	H	α-helix	trans	-69.1	-33.1	179.6	0	0	0	0	0	113.6	D78 R79 R341	D78-A82 WeakPolarHBondContact O-CB 3.21Å; D78-A82 PolarHBondContact O-N 3.49Å; R79-A82 PolarHBondContact O-N 2.94Å; A82-R341 WeakPolarHBondContact O-CA 3.47Å; A82-R341 WeakPolarHBondContact O-CG 3.31Å
83	E	98.6	Very high	98.6	Very high	50 Å²	50	29.1 Å²	29.1	23%	0.234	15%	0.151	C	C	.	.	H	α-helix	trans	-77.9	-22.6	173	-72.2	178.3	172.6	0	0	112.7	R79 H333	R79-E83 HydrophobicContact CG-CG 4.35Å; R79-E83 IonicContact CZ-OE1 2.71Å; R79-E83 IonicContact NE-OE1 3.7Å; R79-E83 PolarHBondContact NE-OE1 2.86Å; R79-E83 IonicContact NE-OE2 2.88Å; R79-E83 IonicContact NH2-OE1 3.39Å; R79-E83 PolarHBondContact NH2-OE1 2.76Å; R79-E83 WeakPolarHBondContact O-CB 3.13Å; R79-E83 WeakPolarHBondContact O-CG 3.21Å; R79-E83 PolarHBondContact O-N 2.63Å; E83-H333 IonicContact OE2-CE1 2.71Å; E83-H333 PolarHBondContact OE2-CE1 3.1Å
84	G	98.8	Very high	98.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.128	C	C	.	.	S	Bend	trans	-103.1	-132.8	-175.9	0	0	0	0	0	114.2	L80 A81 V332 K340 R341 R342	L80-G84 PolarHBondContact O-N 3.47Å; A81-G84 CarbonylContact O-C 3.6Å; A81-G84 PolarHBondContact O-N 2.93Å; G84-V332 CarbonylContact C-O 3.51Å; G84-V332 WeakPolarHBondContact CA-O 3.49Å; G84-K340 CarbonylContact O-C 3.55Å; G84-R341 WeakPolarHBondContact O-CA 3.3Å; G84-R341 PolarHBondContact O-N 3.35Å; G84-R342 PolarHBondContact O-N 3.41Å
85	V	98.9	Very high	98.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	118.9	176.9	176.6	0	0	0	0	109.3	L87 F331 V332 I337 R342 I380	V85-L87 HydrophobicContact CG1-CD2 4.22Å; V85-F331 CarbonylContact O-C 3.56Å; V85-F331 VanDerWaalsContact O-CA 3.26Å; V85-F331 WeakPolarHBondContact O-CA 3.43Å; V85-F331 WeakPolarHBondContact O-CB 3.18Å; V85-V332 PolarHBondContact N-O 2.99Å; V85-V332 PolarHBondContact O-N 3.49Å; V85-I337 HydrophobicContact CG2-CD1 4.1Å; V85-I337 HydrophobicContact CG2-CG2 3.89Å; V85-R342 WeakPolarHBondContact CA-O 3.47Å; V85-R342 HydrophobicContact CG1-CG 4.27Å; V85-R342 HydrophobicContact CG2-CG 4.03Å; V85-I380 HydrophobicContact CB-CG2 4.49Å; V85-I380 HydrophobicContact CG1-CG2 4.48Å
86	K	98.9	Very high	98.5	Very high	42 Å²	42	22 Å²	22	18%	0.183	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	143.4	172.5	-61.2	-160.5	-66.2	147.8	0	111.1	Y67 A81 E88 R342 T343 S344	Y67-K86 HydrophobicContact CD2-CD 3.49Å; Y67-K86 VanDerWaalsContact CD2-CD 3.49Å; Y67-K86 HydrophobicContact CE2-CD 3.89Å; Y67-K86 HydrophobicContact CG-CD 4.1Å; A81-K86 HydrophobicContact CB-CD 4.24Å; A81-K86 HydrophobicContact CB-CG 3.99Å; K86-E88 VanDerWaalsContact CE-OE1 3.23Å; K86-E88 WeakPolarHBondContact CE-OE1 3.42Å; K86-E88 IonicContact NZ-OE1 2.67Å; K86-E88 PolarHBondContact NZ-OE1 2.95Å; K86-R342 PolarHBondContact N-O 2.93Å; K86-T343 WeakPolarHBondContact CE-OG1 3.43Å; K86-S344 WeakPolarHBondContact O-CB 3.44Å; K86-S344 PolarHBondContact O-N 3.5Å
87	L	98.8	Very high	98.5	Very high	8 Å²	8	21.1 Å²	21.1	4%	0.042	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	88.4	-179.6	-48.7	176.6	0	0	0	109.6	V85 N89 Y90 G330 V332 W353 I380	V85-L87 HydrophobicContact CG1-CD2 4.22Å; L87-N89 VanDerWaalsContact C-N 3.33Å; L87-Y90 HydrophobicContact CB-CG 4.26Å; L87-Y90 HydrophobicContact CD1-CD2 4.48Å; L87-Y90 HydrophobicContact CD1-CG 4.41Å; L87-Y90 WeakPolarHBondContact O-CB 3.46Å; L87-G330 PolarHBondContact N-O 3.07Å; L87-V332 HydrophobicContact CD1-CG2 4.26Å; L87-W353 HydrophobicContact CD1-CH2 3.84Å; L87-W353 HydrophobicContact CD1-CZ2 3.77Å; L87-I380 HydrophobicContact CD2-CD1 4.46Å; L87-I380 HydrophobicContact CD2-CG1 4.16Å
88	E	98.1	Very high	98.5	Very high	13 Å²	13	21.1 Å²	21.1	6%	0.061	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-10.1	-173.9	-56.5	-67.8	171.3	0	0	113	Y62 H68 K86 R327 T343 S344 W345	Y62-E88 PolarHBondContact OH-OE2 2.76Å; H68-E88 IonicContact CE1-OE2 3.27Å; H68-E88 IonicContact NE2-OE1 2.72Å; H68-E88 IonicContact NE2-OE2 3.01Å; H68-E88 PolarHBondContact NE2-OE2 3.02Å; H68-E88 VanDerWaalsContact NE2-OE2 3.16Å; K86-E88 VanDerWaalsContact CE-OE1 3.23Å; K86-E88 WeakPolarHBondContact CE-OE1 3.42Å; K86-E88 IonicContact NZ-OE1 2.67Å; K86-E88 PolarHBondContact NZ-OE1 2.95Å; E88-R327 PolarHBondContact O-NE 3.49Å; E88-R327 VanDerWaalsContact O-NE 3.11Å; E88-R327 PolarHBondContact O-NH2 2.71Å; E88-T343 HydrophobicContact CB-CG2 4.22Å; E88-T343 HydrophobicContact CG-CG2 3.45Å; E88-T343 VanDerWaalsContact CG-CG2 3.45Å; E88-S344 PolarHBondContact N-O 3.1Å; E88-S344 VanDerWaalsContact N-O 3.09Å; E88-W345 HydrophobicContact CB-CD2 4.18Å; E88-W345 HydrophobicContact CB-CE3 3.66Å; E88-W345 HydrophobicContact CB-CH2 3.68Å; E88-W345 HydrophobicContact CB-CZ2 4.19Å; E88-W345 HydrophobicContact CB-CZ3 3.39Å; E88-W345 HydrophobicContact CG-CH2 4.18Å; E88-W345 HydrophobicContact CG-CZ2 4.35Å; E88-W345 HydrophobicContact CG-CZ3 4.36Å
89	N	98.3	Very high	98.5	Very high	18 Å²	18	19.1 Å²	19.1	10%	0.096	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	43.3	178.3	-160.8	24	0	0	0	110.5	L87 W345 V348 R423	L87-N89 VanDerWaalsContact C-N 3.33Å; N89-W345 HydrophobicContact CB-CE3 4.46Å; N89-W345 WeakPolarHBondContact CB-O 3.47Å; N89-W345 PolarHBondContact ND2-O 3.27Å; N89-V348 PolarHBondContact O-N 3.42Å; N89-V348 VanDerWaalsContact O-N 3.11Å; N89-R423 PolarHBondContact OD1-NH1 3.12Å; N89-R423 PolarHBondContact OD1-NH2 3.49Å
90	Y	98.9	Very high	98.5	Very high	1 Å²	1	12 Å²	12	0%	0.004	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	136.3	-171.7	174.7	-121.6	0	0	0	112.8	L87 I92 S298 R327 G328 V348 W353	L87-Y90 HydrophobicContact CB-CG 4.26Å; L87-Y90 HydrophobicContact CD1-CD2 4.48Å; L87-Y90 HydrophobicContact CD1-CG 4.41Å; L87-Y90 WeakPolarHBondContact O-CB 3.46Å; Y90-I92 HydrophobicContact CE1-CG2 3.75Å; Y90-I92 HydrophobicContact CE2-CG2 4.5Å; Y90-S298 VanDerWaalsContact CE1-OG 3.31Å; Y90-S298 WeakPolarHBondContact CE1-OG 3.25Å; Y90-S298 PolarHBondContact OH-OG 3.19Å; Y90-R327 WeakPolarHBondContact O-CA 3.37Å; Y90-G328 PolarHBondContact O-N 2.85Å; Y90-V348 CarbonylContact C-O 3.58Å; Y90-V348 WeakPolarHBondContact CA-O 3.45Å; Y90-V348 HydrophobicContact CD2-CB 3.98Å; Y90-V348 HydrophobicContact CD2-CG1 3.78Å; Y90-V348 HydrophobicContact CE2-CG1 4.1Å; Y90-W353 HydrophobicContact CE2-CZ2 4.14Å; Y90-W353 AromaticContact CE2-NE1 3.56Å; Y90-W353 AromaticContact CZ-NE1 3.59Å; Y90-W353 PolarHBondContact OH-NE1 2.7Å
91	Y	98.9	Very high	98.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	141.9	-171.3	-69.1	-87	0	0	0	113.5	E323 V326 R327 L347 V348 H349 I350 I391 H393 R423	Y91-E323 WeakPolarHBondContact CE1-OE1 3.45Å; Y91-E323 WeakPolarHBondContact CE1-OE2 3.34Å; Y91-E323 PolarHBondContact OH-OE2 3.13Å; Y91-V326 VanDerWaalsContact CA-O 3.31Å; Y91-V326 WeakPolarHBondContact CA-O 3.26Å; Y91-V326 HydrophobicContact CD1-CB 4.44Å; Y91-V326 HydrophobicContact CD1-CG2 4.07Å; Y91-V326 VanDerWaalsContact CD1-O 3.25Å; Y91-V326 WeakPolarHBondContact CD1-O 3.47Å; Y91-V326 HydrophobicContact CE1-CG2 4.24Å; Y91-R327 HydrophobicContact CD1-CB 4.26Å; Y91-R327 HydrophobicContact CE1-CB 3.82Å; Y91-R327 HydrophobicContact CE1-CG 4Å; Y91-L347 HydrophobicContact CD2-CD1 3.82Å; Y91-L347 HydrophobicContact CE2-CD1 3.8Å; Y91-V348 PolarHBondContact N-O 3.09Å; Y91-H349 CarbonylContact O-C 3.41Å; Y91-H349 WeakPolarHBondContact O-CA 3.48Å; Y91-H349 PolarHBondContact O-CD2 2.88Å; Y91-H349 VanDerWaalsContact O-CD2 3.29Å; Y91-I350 PolarHBondContact O-N 2.75Å; Y91-I391 HydrophobicContact CD2-CD1 3.68Å; Y91-I391 HydrophobicContact CG-CD1 3.86Å; Y91-H393 AromaticContact CD1-CE1 3.6Å; Y91-R423 VanDerWaalsContact CZ-NH1 3.33Å; Y91-R423 PolarHBondContact OH-NH1 2.72Å
92	I	98.8	Very high	98.4	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	7%	0.067	C	C	.	.			trans	-130.1	179.5	178.6	50.5	56.2	0	0	0	108.3	Y90 T299 G325 V326 I350	Y90-I92 HydrophobicContact CE1-CG2 3.75Å; Y90-I92 HydrophobicContact CE2-CG2 4.5Å; I92-T299 HydrophobicContact CG1-CG2 4.36Å; I92-G325 VanDerWaalsContact CD1-O 3.26Å; I92-G325 WeakPolarHBondContact CD1-O 3.32Å; I92-V326 WeakPolarHBondContact CD1-O 3.43Å; I92-V326 PolarHBondContact N-O 3.44Å; I92-V326 VanDerWaalsContact O-O 3.13Å; I92-I350 HydrophobicContact CG2-CB 4.11Å; I92-I350 HydrophobicContact CG2-CD1 4Å; I92-I350 HydrophobicContact CG2-CG1 4.37Å
93	Q	98.7	Very high	98.4	Very high	0 Å²	0	8.6 Å²	8.6	0%	0	4%	0.042	C	C	.	.			trans	-93.9	151.1	174	-66.7	-63.9	-48.5	0	0	111.5	I95 P98 S99 Q102 D300 N301 H349 H393	Q93-I95 PolarHBondContact O-N 3.41Å; Q93-P98 HydrophobicContact CB-CB 3.65Å; Q93-P98 HydrophobicContact CG-CB 4.01Å; Q93-S99 WeakPolarHBondContact CA-OG 3.48Å; Q93-S99 WeakPolarHBondContact CB-OG 3.42Å; Q93-S99 PolarHBondContact N-OG 2.81Å; Q93-S99 PolarHBondContact O-OG 2.77Å; Q93-Q102 HydrophobicContact CG-CG 4.13Å; Q93-D300 VanDerWaalsContact O-O 3.1Å; Q93-N301 VanDerWaalsContact O-CB 3.3Å; Q93-N301 WeakPolarHBondContact O-CB 3.45Å; Q93-H349 PolarHBondContact NE2-NE2 2.84Å; Q93-H393 VanDerWaalsContact CD-O 3.23Å; Q93-H393 PolarHBondContact NE2-O 3.05Å; Q93-H393 PolarHBondContact OE1-O 3.24Å
94	P	97.8	Very high	98.4	Very high	5 Å²	5	6.3 Å²	6.3	3%	0.032	3%	0.031	C	C	.	.	S	Bend	trans	-73.3	-1.9	-167.5	30.8	-36.4	0	0	0	114.8	N301 G319 T320 Y321 V326	P94-N301 VanDerWaalsContact C-CB 3.45Å; P94-N301 WeakPolarHBondContact O-CB 3.48Å; P94-G319 PolarHBondContact O-N 2.95Å; P94-T320 VanDerWaalsContact CB-O 3.25Å; P94-T320 WeakPolarHBondContact CB-O 3.22Å; P94-Y321 HydrophobicContact CG-CD1 3.79Å; P94-Y321 HydrophobicContact CG-CE1 3.75Å; P94-V326 HydrophobicContact CB-CG1 4.14Å; P94-V326 HydrophobicContact CG-CG1 4.34Å
95	I	96.2	Very high	98.4	Very high	37 Å²	37	6.3 Å²	6.3	19%	0.19	3%	0.032	C	C	.	.	S	Bend	trans	-149.1	153.1	179.6	41.3	166	0	0	0	111.9	Q93 T97 P98 S99 S117 I118 N301 K318	Q93-I95 PolarHBondContact O-N 3.41Å; I95-T97 PolarHBondContact O-N 3.31Å; I95-P98 HydrophobicContact CD1-CG 3.97Å; I95-P98 HydrophobicContact CG1-CG 3.86Å; I95-P98 WeakPolarHBondContact O-CD 3.28Å; I95-S99 PolarHBondContact O-N 3.08Å; I95-S117 VanDerWaalsContact CD1-O 3.24Å; I95-S117 WeakPolarHBondContact CD1-O 3.43Å; I95-I118 HydrophobicContact CB-CG2 4.2Å; I95-I118 HydrophobicContact CD1-CG2 4.05Å; I95-N301 VanDerWaalsContact CA-OD1 3.27Å; I95-N301 WeakPolarHBondContact CA-OD1 3.48Å; I95-K318 HydrophobicContact CG2-CG 4.31Å
96	C	97.4	Very high	98.4	Very high	2 Å²	2	6.3 Å²	6.3	1%	0.014	3%	0.032	C	C	.	.	H	α-helix	trans	-53	-56.2	-167	-47.3	0	0	0	0	116.5	D58 S99 R100 K150 H152 D300 N301	D58-C96 PolarHBondContact OD1-SG 3.26Å; D58-C96 VanDerWaalsContact OD1-SG 3.34Å; C96-S99 PolarHBondContact O-N 3.25Å; C96-R100 WeakPolarHBondContact O-CB 3.39Å; C96-R100 VanDerWaalsContact O-CG 3.28Å; C96-R100 WeakPolarHBondContact O-CG 3.5Å; C96-R100 PolarHBondContact O-N 2.91Å; C96-K150 PolarHBondContact SG-NZ 3.21Å; C96-K150 VanDerWaalsContact SG-NZ 3.38Å; C96-H152 WeakPolarHBondContact CB-ND1 3.35Å; C96-D300 VanDerWaalsContact CA-OD2 3.23Å; C96-D300 WeakPolarHBondContact CA-OD2 3.38Å; C96-D300 WeakPolarHBondContact CB-OD2 3.47Å; C96-D300 PolarHBondContact SG-OD2 2.87Å; C96-D300 VanDerWaalsContact SG-OD2 3.4Å; C96-N301 PolarHBondContact N-OD1 2.91Å; C96-N301 VanDerWaalsContact N-OD1 3.11Å; C96-N301 PolarHBondContact SG-OD1 3.36Å
97	T	98.5	Very high	98.3	Very high	2 Å²	2	5.1 Å²	5.1	1%	0.012	3%	0.026	C	C	.	.	H	α-helix	trans	-62.2	-48.8	-173.6	-66	0	0	0	0	111.9	I95 S99 R100 S101 I119 H152 L153	I95-T97 PolarHBondContact O-N 3.31Å; T97-S99 PolarHBondContact O-N 3.31Å; T97-R100 PolarHBondContact O-N 2.74Å; T97-S101 WeakPolarHBondContact O-CB 3.48Å; T97-S101 PolarHBondContact O-N 3.45Å; T97-S101 PolarHBondContact O-OG 3.35Å; T97-I119 HydrophobicContact CG2-CB 4.35Å; T97-I119 HydrophobicContact CG2-CD1 3.75Å; T97-I119 HydrophobicContact CG2-CG1 3.92Å; T97-I119 PolarHBondContact OG1-N 3.47Å; T97-H152 PolarHBondContact OG1-CD2 3.14Å; T97-H152 PolarHBondContact OG1-CE1 2.71Å; T97-H152 PolarHBondContact OG1-ND1 2.9Å; T97-H152 PolarHBondContact OG1-NE2 2.9Å; T97-H152 PolarHBondContact OG1-O 2.84Å; T97-L153 HydrophobicContact CG2-CD2 4.14Å; T97-L153 WeakPolarHBondContact O-CD2 3.36Å
98	P	98.4	Very high	98.3	Very high	1 Å²	1	4.9 Å²	4.9	1%	0.006	2%	0.024	C	C	.	.	H	α-helix	trans	-46.2	-59.8	167	-37.8	42.3	0	0	0	114.3	Q93 I95 R100 S101 Q102 Q109	Q93-P98 HydrophobicContact CB-CB 3.65Å; Q93-P98 HydrophobicContact CG-CB 4.01Å; I95-P98 HydrophobicContact CD1-CG 3.97Å; I95-P98 HydrophobicContact CG1-CG 3.86Å; I95-P98 WeakPolarHBondContact O-CD 3.28Å; P98-R100 VanDerWaalsContact C-N 3.33Å; P98-R100 PolarHBondContact O-N 2.93Å; P98-S101 PolarHBondContact O-N 2.77Å; P98-S101 VanDerWaalsContact O-N 3.11Å; P98-S101 PolarHBondContact O-OG 3.32Å; P98-Q102 VanDerWaalsContact O-CG 3.24Å; P98-Q102 WeakPolarHBondContact O-CG 3.5Å; P98-Q102 PolarHBondContact O-N 2.81Å; P98-Q109 HydrophobicContact CB-CG 3.88Å; P98-Q109 HydrophobicContact CG-CG 4.14Å
99	S	98.8	Very high	98.3	Very high	0 Å²	0	4.3 Å²	4.3	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-56.8	-45.3	-178.7	-88.9	0	0	0	0	113.3	Q93 I95 C96 T97 S101 Q102 L103 D300	Q93-S99 WeakPolarHBondContact CA-OG 3.48Å; Q93-S99 WeakPolarHBondContact CB-OG 3.42Å; Q93-S99 PolarHBondContact N-OG 2.81Å; Q93-S99 PolarHBondContact O-OG 2.77Å; I95-S99 PolarHBondContact O-N 3.08Å; C96-S99 PolarHBondContact O-N 3.25Å; T97-S99 PolarHBondContact O-N 3.31Å; S99-S101 VanDerWaalsContact C-N 3.32Å; S99-S101 PolarHBondContact O-N 3.36Å; S99-Q102 PolarHBondContact O-N 3.01Å; S99-L103 WeakPolarHBondContact O-CB 3.47Å; S99-L103 PolarHBondContact O-N 2.96Å; S99-D300 WeakPolarHBondContact CB-O 3.35Å; S99-D300 PolarHBondContact OG-O 2.95Å
100	R	98.8	Very high	98.3	Very high	0 Å²	0	3.5 Å²	3.5	0%	0	2%	0.017	C	C	.	.	H	α-helix	trans	-65.8	-35.8	-179.5	-67	169.9	-166	-108.2	-4.9	111	L56 D58 C96 T97 P98 I104 K150 L153 D300	L56-R100 HydrophobicContact CD2-CG 3.84Å; D58-R100 VanDerWaalsContact CG-NH2 3.29Å; D58-R100 IonicContact OD1-NH2 3.41Å; D58-R100 PolarHBondContact OD1-NH2 3.04Å; D58-R100 IonicContact OD2-NH2 2.66Å; C96-R100 WeakPolarHBondContact O-CB 3.39Å; C96-R100 VanDerWaalsContact O-CG 3.28Å; C96-R100 WeakPolarHBondContact O-CG 3.5Å; C96-R100 PolarHBondContact O-N 2.91Å; T97-R100 PolarHBondContact O-N 2.74Å; P98-R100 VanDerWaalsContact C-N 3.33Å; P98-R100 PolarHBondContact O-N 2.93Å; R100-I104 VanDerWaalsContact O-CB 3.32Å; R100-I104 WeakPolarHBondContact O-CB 3.46Å; R100-I104 WeakPolarHBondContact O-CG1 3.39Å; R100-I104 PolarHBondContact O-N 2.77Å; R100-I104 VanDerWaalsContact O-N 3.1Å; R100-K150 PolarHBondContact NH1-O 2.97Å; R100-L153 HydrophobicContact CB-CD1 4.34Å; R100-L153 HydrophobicContact CB-CD2 3.74Å; R100-L153 HydrophobicContact CB-CG 4.15Å; R100-D300 IonicContact CZ-OD2 3.25Å; R100-D300 IonicContact NE-OD2 2.68Å; R100-D300 PolarHBondContact NE-OD2 3.45Å; R100-D300 IonicContact NH2-OD2 2.92Å; R100-D300 PolarHBondContact NH2-OD2 2.83Å
101	S	98.4	Very high	98.2	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-69.1	-41.5	176.1	70.3	0	0	0	0	111.9	T97 P98 S99 I104 T105	T97-S101 WeakPolarHBondContact O-CB 3.48Å; T97-S101 PolarHBondContact O-N 3.45Å; T97-S101 PolarHBondContact O-OG 3.35Å; P98-S101 PolarHBondContact O-N 2.77Å; P98-S101 VanDerWaalsContact O-N 3.11Å; P98-S101 PolarHBondContact O-OG 3.32Å; S99-S101 VanDerWaalsContact C-N 3.32Å; S99-S101 PolarHBondContact O-N 3.36Å; S101-I104 PolarHBondContact O-N 2.75Å; S101-T105 WeakPolarHBondContact O-CB 3.07Å; S101-T105 PolarHBondContact O-N 3.38Å; S101-T105 PolarHBondContact O-OG1 2.96Å
102	Q	98.8	Very high	98.1	Very high	0 Å²	0	5 Å²	5	0%	0	2%	0.024	C	C	.	.	H	α-helix	trans	-66.2	-42.1	178	-67.7	-129.7	46.1	0	0	112.2	Q93 P98 S99 G106 R107 Y108 H349 I350 T351	Q93-Q102 HydrophobicContact CG-CG 4.13Å; P98-Q102 VanDerWaalsContact O-CG 3.24Å; P98-Q102 WeakPolarHBondContact O-CG 3.5Å; P98-Q102 PolarHBondContact O-N 2.81Å; S99-Q102 PolarHBondContact O-N 3.01Å; Q102-G106 VanDerWaalsContact O-CA 3.27Å; Q102-G106 WeakPolarHBondContact O-CA 3.42Å; Q102-G106 PolarHBondContact O-N 2.77Å; Q102-R107 WeakPolarHBondContact CA-O 3.41Å; Q102-R107 VanDerWaalsContact CG-O 3.23Å; Q102-R107 WeakPolarHBondContact CG-O 3.29Å; Q102-R107 PolarHBondContact OE1-O 3.48Å; Q102-R107 VanDerWaalsContact OE1-O 3.04Å; Q102-Y108 VanDerWaalsContact OE1-CA 3.32Å; Q102-Y108 VanDerWaalsContact OE1-CD1 3.24Å; Q102-H349 PolarHBondContact OE1-CE1 2.71Å; Q102-H349 VanDerWaalsContact OE1-CE1 3.29Å; Q102-I350 HydrophobicContact CB-CG2 3.66Å; Q102-T351 HydrophobicContact CB-CG2 3.94Å; Q102-T351 HydrophobicContact CG-CG2 4.45Å
103	L	98.8	Very high	98	Very high	2 Å²	2	5 Å²	5	1%	0.01	2%	0.024	C	C	.	.	H	α-helix	trans	-59.2	-46.7	171.8	177	58.5	0	0	0	112.1	F54 L56 S99 Y235 I350 W353	F54-L103 HydrophobicContact CD1-CD2 4.06Å; F54-L103 HydrophobicContact CD2-CD1 4.3Å; F54-L103 HydrophobicContact CE1-CD1 4.12Å; F54-L103 HydrophobicContact CE1-CD2 3.65Å; F54-L103 HydrophobicContact CE2-CD1 3.7Å; F54-L103 HydrophobicContact CZ-CD1 3.61Å; F54-L103 HydrophobicContact CZ-CD2 3.99Å; F54-L103 HydrophobicContact CZ-CG 4.48Å; L56-L103 HydrophobicContact CD2-CD2 4.19Å; S99-L103 WeakPolarHBondContact O-CB 3.47Å; S99-L103 PolarHBondContact O-N 2.96Å; L103-Y235 HydrophobicContact CD2-CE2 3.73Å; L103-I350 HydrophobicContact CB-CD1 4.02Å; L103-I350 HydrophobicContact CB-CG1 3.99Å; L103-I350 HydrophobicContact CD1-CG1 4.31Å; L103-W353 HydrophobicContact CD1-CB 3.73Å; L103-W353 HydrophobicContact CD1-CG 4.12Å
104	I	98.4	Very high	98	Very high	1 Å²	1	5.3 Å²	5.3	1%	0.005	3%	0.026	C	C	.	.	H	α-helix	trans	-81	-19.3	-172.4	-66.1	-65.3	0	0	0	112.9	R100 S101 L127 P133 L134 W151 L153 F167 Y235 Y354	R100-I104 VanDerWaalsContact O-CB 3.32Å; R100-I104 WeakPolarHBondContact O-CB 3.46Å; R100-I104 WeakPolarHBondContact O-CG1 3.39Å; R100-I104 PolarHBondContact O-N 2.77Å; R100-I104 VanDerWaalsContact O-N 3.1Å; S101-I104 PolarHBondContact O-N 2.75Å; I104-L127 HydrophobicContact CG2-CD2 3.81Å; I104-P133 HydrophobicContact CG2-CB 3.81Å; I104-P133 CarbonylContact O-C 3.55Å; I104-P133 WeakPolarHBondContact O-CA 3.31Å; I104-L134 PolarHBondContact O-N 3.33Å; I104-W151 HydrophobicContact CG2-CH2 4.47Å; I104-L153 HydrophobicContact CB-CD1 4.08Å; I104-L153 HydrophobicContact CG1-CD1 3.96Å; I104-L153 HydrophobicContact CG2-CD1 4.31Å; I104-F167 HydrophobicContact CD1-CZ 4.4Å; I104-Y235 HydrophobicContact CD1-CD1 4.46Å; I104-Y235 HydrophobicContact CD1-CE1 4.22Å; I104-Y354 WeakPolarHBondContact O-CD2 3.4Å; I104-Y354 WeakPolarHBondContact O-CE2 3.24Å
105	T	98	Very high	97.9	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.006	3%	0.026	C	C	.	.	H	α-helix	trans	-116.9	-14.9	179.4	61	0	0	0	0	115.8	S101 R107 L127 Y354 L371	S101-T105 WeakPolarHBondContact O-CB 3.07Å; S101-T105 PolarHBondContact O-N 3.38Å; S101-T105 PolarHBondContact O-OG1 2.96Å; T105-R107 PolarHBondContact O-N 3.2Å; T105-R107 PolarHBondContact OG1-N 3.05Å; T105-L127 HydrophobicContact CG2-CD1 3.71Å; T105-L127 HydrophobicContact CG2-CD2 3.79Å; T105-L127 HydrophobicContact CG2-CG 3.99Å; T105-Y354 WeakPolarHBondContact O-CD2 3.45Å; T105-L371 WeakPolarHBondContact O-CD2 3.36Å
106	G	98.2	Very high	97.9	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.025	C	C	.	.	S	Bend	trans	65.9	24.7	-172.6	0	0	0	0	0	113.9	Q102 D372 G373	Q102-G106 VanDerWaalsContact O-CA 3.27Å; Q102-G106 WeakPolarHBondContact O-CA 3.42Å; Q102-G106 PolarHBondContact O-N 2.77Å; G106-D372 PolarHBondContact O-N 2.96Å; G106-G373 PolarHBondContact O-N 2.85Å
107	R	98.1	Very high	97.8	Very high	16 Å²	16	6.6 Å²	6.6	6%	0.06	3%	0.034	C	C	.	.	S	Bend	trans	-132.7	149.7	-173.6	-65.2	173.5	-162.3	-102.9	-2.5	113.5	Q102 T105 H111 T112 P369 G370 L371 D372	Q102-R107 WeakPolarHBondContact CA-O 3.41Å; Q102-R107 VanDerWaalsContact CG-O 3.23Å; Q102-R107 WeakPolarHBondContact CG-O 3.29Å; Q102-R107 PolarHBondContact OE1-O 3.48Å; Q102-R107 VanDerWaalsContact OE1-O 3.04Å; T105-R107 PolarHBondContact O-N 3.2Å; T105-R107 PolarHBondContact OG1-N 3.05Å; R107-H111 HydrophobicContact CB-CB 4.31Å; R107-T112 HydrophobicContact CB-CG2 4.37Å; R107-P369 VanDerWaalsContact CZ-O 3.31Å; R107-P369 PolarHBondContact NH1-O 2.59Å; R107-P369 PolarHBondContact NH2-O 3.39Å; R107-G370 PolarHBondContact NH1-O 3.13Å; R107-L371 HydrophobicContact CG-CD2 4.37Å; R107-D372 WeakPolarHBondContact CA-OD2 3.45Å; R107-D372 WeakPolarHBondContact CB-OD2 3.2Å
108	Y	98.6	Very high	97.7	Very high	3 Å²	3	8.3 Å²	8.3	1%	0.012	4%	0.042	C	C	.	.			trans	-65.7	155.9	172.4	-67.9	-53.7	0	0	0	112.5	Q102 I110 H111 H349 D372 R388 L392 Y499	Q102-Y108 VanDerWaalsContact OE1-CA 3.32Å; Q102-Y108 VanDerWaalsContact OE1-CD1 3.24Å; Y108-I110 PolarHBondContact O-N 3.11Å; Y108-H111 PolarHBondContact O-N 2.95Å; Y108-H349 AromaticContact CE1-CE1 3.58Å; Y108-H349 AromaticContact CE1-ND1 3.8Å; Y108-D372 HydrophobicContact CD2-CB 3.45Å; Y108-D372 VanDerWaalsContact CD2-CB 3.45Å; Y108-D372 WeakPolarHBondContact CD2-OD1 3.46Å; Y108-D372 HydrophobicContact CE2-CB 3.57Å; Y108-D372 HydrophobicContact CG-CB 4.02Å; Y108-D372 PolarHBondContact N-OD2 2.79Å; Y108-R388 PolarHBondContact OH-NH1 3.09Å; Y108-L392 HydrophobicContact CD1-CB 4.47Å; Y108-L392 HydrophobicContact CD2-CB 4.26Å; Y108-L392 HydrophobicContact CE1-CB 4.27Å; Y108-L392 WeakPolarHBondContact CE1-O 3.11Å; Y108-L392 HydrophobicContact CE2-CB 4.02Å; Y108-L392 PolarHBondContact OH-N 3.41Å; Y108-Y499 HydrophobicContact CD2-CE1 4.32Å; Y108-Y499 HydrophobicContact CE2-CE1 4.08Å
109	Q	97.9	Very high	97.6	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.009	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-56.8	-34.7	175.9	-61.8	95.6	-66.7	0	0	112.3	P98 H111 T112 G113 L114 Q115 N394	P98-Q109 HydrophobicContact CB-CG 3.88Å; P98-Q109 HydrophobicContact CG-CG 4.14Å; Q109-H111 PolarHBondContact O-N 2.89Å; Q109-H111 VanDerWaalsContact O-N 3.1Å; Q109-T112 WeakPolarHBondContact CA-OG1 3.17Å; Q109-T112 CarbonylContact O-C 3.2Å; Q109-T112 PolarHBondContact O-N 3Å; Q109-T112 PolarHBondContact O-OG1 3.42Å; Q109-G113 PolarHBondContact O-N 3.44Å; Q109-L114 WeakPolarHBondContact CG-O 3.3Å; Q109-L114 PolarHBondContact O-N 2.94Å; Q109-Q115 HydrophobicContact CB-CB 4.3Å; Q109-Q115 HydrophobicContact CB-CG 4.01Å; Q109-N394 PolarHBondContact NE2-OD1 2.64Å
110	I	98.1	Very high	97.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-58.4	-20.8	176.3	59	155.4	0	0	0	113.4	Y108 Q115 L392 I395 Y499 A503 I504	Y108-I110 PolarHBondContact O-N 3.11Å; I110-Q115 HydrophobicContact CG2-CG 3.9Å; I110-L392 HydrophobicContact CD1-CD2 3.57Å; I110-L392 HydrophobicContact CG1-CD2 3.92Å; I110-L392 HydrophobicContact CG2-CD2 4.14Å; I110-I395 HydrophobicContact CG2-CB 4.21Å; I110-Y499 HydrophobicContact CD1-CD1 3.96Å; I110-Y499 HydrophobicContact CD1-CG 4.49Å; I110-Y499 WeakPolarHBondContact CD1-O 3.4Å; I110-A503 HydrophobicContact CB-CB 3.79Å; I110-A503 HydrophobicContact CG2-CB 4.09Å; I110-A503 CarbonylContact O-C 3.58Å; I110-A503 WeakPolarHBondContact O-CA 3.31Å; I110-I504 PolarHBondContact O-N 2.82Å
111	H	97.8	Very high	97.4	Very high	31 Å²	31	13.8 Å²	13.8	14%	0.144	6%	0.064	C	C	.	.	G	3₁₀ helix	trans	-104.3	7.8	176.7	-58.2	146.7	0	0	0	113.3	R107 Y108 Q109 D372 T502	R107-H111 HydrophobicContact CB-CB 4.31Å; Y108-H111 PolarHBondContact O-N 2.95Å; Q109-H111 PolarHBondContact O-N 2.89Å; Q109-H111 VanDerWaalsContact O-N 3.1Å; H111-D372 IonicContact CE1-OD1 3.79Å; H111-D372 PolarHBondContact CE1-OD1 3.22Å; H111-D372 IonicContact CE1-OD2 2.77Å; H111-D372 IonicContact CG-OD2 3.2Å; H111-D372 VanDerWaalsContact ND1-CG 3.32Å; H111-D372 IonicContact ND1-OD1 2.72Å; H111-D372 PolarHBondContact ND1-OD1 2.74Å; H111-D372 VanDerWaalsContact ND1-OD1 3.11Å; H111-D372 IonicContact ND1-OD2 2.79Å; H111-D372 PolarHBondContact ND1-OD2 3.29Å; H111-T502 PolarHBondContact CD2-O 3.25Å; H111-T502 VanDerWaalsContact CD2-O 3.25Å; H111-T502 WeakPolarHBondContact NE2-CB 3.48Å; H111-T502 PolarHBondContact NE2-O 2.63Å; H111-T502 PolarHBondContact NE2-OG1 3.21Å
112	T	96.4	Very high	97.3	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.3	-7.9	178.2	58.2	0	0	0	0	114.3	R107 Q109 L114 P128	R107-T112 HydrophobicContact CB-CG2 4.37Å; Q109-T112 WeakPolarHBondContact CA-OG1 3.17Å; Q109-T112 CarbonylContact O-C 3.2Å; Q109-T112 PolarHBondContact O-N 3Å; Q109-T112 PolarHBondContact O-OG1 3.42Å; T112-L114 VanDerWaalsContact C-N 3.3Å; T112-P128 WeakPolarHBondContact O-CG 3.4Å
113	G	97	Very high	97.1	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	10.5	-178.7	0	0	0	0	0	113.6	Q109 Q115 R507	Q109-G113 PolarHBondContact O-N 3.44Å; G113-Q115 PolarHBondContact O-OE1 3.36Å; G113-R507 WeakPolarHBondContact O-CA 3.25Å; G113-R507 WeakPolarHBondContact O-CB 3.27Å; G113-R507 PolarHBondContact O-N 3.12Å
114	L	97.4	Very high	97	Very high	7 Å²	7	17.7 Å²	17.7	4%	0.037	8%	0.084	C	C	.	.			trans	-101.2	26.2	-174.6	-59.8	178.7	0	0	0	112.8	Q109 T112 H116 I119 L127	Q109-L114 WeakPolarHBondContact CG-O 3.3Å; Q109-L114 PolarHBondContact O-N 2.94Å; T112-L114 VanDerWaalsContact C-N 3.3Å; L114-H116 VanDerWaalsContact C-N 3.3Å; L114-H116 PolarHBondContact O-N 2.82Å; L114-I119 HydrophobicContact CD2-CD1 4.02Å; L114-I119 HydrophobicContact CD2-CG1 4.24Å; L114-L127 HydrophobicContact CD1-CD1 4.23Å
115	Q	96.9	Very high	96.9	Very high	7 Å²	7	17.8 Å²	17.8	3%	0.033	8%	0.084	C	C	.	.			trans	-61.8	-38.4	-172.7	-62.5	94.2	-44.6	0	0	112.6	Q109 I110 G113 N394 I395 I504 V506	Q109-Q115 HydrophobicContact CB-CB 4.3Å; Q109-Q115 HydrophobicContact CB-CG 4.01Å; I110-Q115 HydrophobicContact CG2-CG 3.9Å; G113-Q115 PolarHBondContact O-OE1 3.36Å; Q115-N394 PolarHBondContact O-ND2 2.58Å; Q115-I395 WeakPolarHBondContact CB-O 3.45Å; Q115-I395 WeakPolarHBondContact CG-O 3.33Å; Q115-I504 PolarHBondContact NE2-O 2.92Å; Q115-V506 HydrophobicContact CB-CG1 4.48Å; Q115-V506 HydrophobicContact CB-CG2 4.18Å; Q115-V506 HydrophobicContact CG-CG2 4.46Å
116	H	95.9	Very high	96.9	Very high	37 Å²	37	17.9 Å²	17.9	17%	0.171	9%	0.085	C	C	.	.	S	Bend	trans	-98	127.4	-173.3	-174.5	69.4	0	0	0	111.8	L114 D396 L398 V506 Y508	L114-H116 VanDerWaalsContact C-N 3.3Å; L114-H116 PolarHBondContact O-N 2.82Å; H116-D396 WeakPolarHBondContact CA-OD2 3.37Å; H116-D396 IonicContact CE1-OD2 3.2Å; H116-D396 IonicContact CG-OD1 3.34Å; H116-D396 IonicContact CG-OD2 3.27Å; H116-D396 IonicContact ND1-OD1 3.59Å; H116-D396 PolarHBondContact ND1-OD1 3.27Å; H116-D396 IonicContact ND1-OD2 2.8Å; H116-D396 PolarHBondContact ND1-OD2 2.87Å; H116-L398 HydrophobicContact CB-CB 4.38Å; H116-L398 HydrophobicContact CB-CD1 4Å; H116-L398 HydrophobicContact CB-CG 4.5Å; H116-V506 HydrophobicContact CB-CG1 3.65Å; H116-Y508 AromaticContact CD2-CD1 3.69Å; H116-Y508 AromaticContact CD2-CD2 3.91Å; H116-Y508 AromaticContact CD2-CE1 3.74Å; H116-Y508 AromaticContact CD2-CE2 3.98Å; H116-Y508 AromaticContact CD2-CG 3.75Å; H116-Y508 AromaticContact CD2-CZ 3.86Å
117	S	94.3	Very high	96.7	Very high	28 Å²	28	18 Å²	18	20%	0.196	9%	0.085	C	C	.	.	S	Bend	trans	58.5	-153.4	167.3	-174.9	0	0	0	0	113.4	I95 Y508	I95-S117 VanDerWaalsContact CD1-O 3.24Å; I95-S117 WeakPolarHBondContact CD1-O 3.43Å; S117-Y508 PolarHBondContact OG-OH 3.17Å
118	I	96.4	Very high	96.5	Very high	37 Å²	37	18 Å²	18	19%	0.19	9%	0.087	C	C	.	.			trans	-118.1	160.8	176.6	57.7	171.8	0	0	0	110.2	I95 R120 Q123	I95-I118 HydrophobicContact CB-CG2 4.2Å; I95-I118 HydrophobicContact CD1-CG2 4.05Å; I118-R120 PolarHBondContact O-N 2.95Å; I118-Q123 PolarHBondContact O-OE1 3.21Å
119	I	97.7	Very high	96.2	Very high	8 Å²	8	21.5 Å²	21.5	4%	0.041	11%	0.106	C	C	.	.			trans	-74.4	111.7	171	-66.6	158.7	0	0	0	108.6	T97 L114 N125	T97-I119 HydrophobicContact CG2-CB 4.35Å; T97-I119 HydrophobicContact CG2-CD1 3.75Å; T97-I119 HydrophobicContact CG2-CG1 3.92Å; T97-I119 PolarHBondContact OG1-N 3.47Å; L114-I119 HydrophobicContact CD2-CD1 4.02Å; L114-I119 HydrophobicContact CD2-CG1 4.24Å; I119-N125 HydrophobicContact CG1-CB 4.36Å; I119-N125 HydrophobicContact CG2-CB 4.4Å
120	R	95.7	Very high	95.8	Very high	100 Å²	100	26.4 Å²	26.4	38%	0.377	13%	0.133	S	C	.	.			trans	-73	150.6	176.8	-64.6	-71	174.7	158.9	-3.3	111.8	I118 R122 Q123	I118-R120 PolarHBondContact O-N 2.95Å; R120-R122 PolarHBondContact O-N 3.36Å; R120-Q123 HydrophobicContact CB-CB 4.49Å; R120-Q123 HydrophobicContact CB-CG 4.01Å; R120-Q123 PolarHBondContact O-N 2.84Å
121	P	96.6	Very high	95.1	Very high	8 Å²	8	30.2 Å²	30.2	5%	0.052	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-33.1	179	-30.2	37.4	0	0	0	114.9	F155 T175 D187 W524 W527	P121-F155 HydrophobicContact CB-CZ 4.18Å; P121-F155 WeakPolarHBondContact O-CZ 3.4Å; P121-T175 HydrophobicContact CB-CG2 4.03Å; P121-T175 HydrophobicContact CG-CG2 3.92Å; P121-D187 HydrophobicContact CB-CB 4.17Å; P121-D187 HydrophobicContact CG-CB 4.01Å; P121-W524 HydrophobicContact CB-CD2 4.14Å; P121-W524 HydrophobicContact CB-CE3 3.72Å; P121-W524 HydrophobicContact CB-CH2 3.61Å; P121-W524 HydrophobicContact CB-CZ2 4.02Å; P121-W524 HydrophobicContact CB-CZ3 3.45Å; P121-W524 VanDerWaalsContact CB-CZ3 3.45Å; P121-W527 VanDerWaalsContact O-CH2 3.29Å; P121-W527 WeakPolarHBondContact O-CH2 3.42Å; P121-W527 VanDerWaalsContact O-CZ3 3.29Å; P121-W527 WeakPolarHBondContact O-CZ3 3.17Å
122	R	96	Very high	94.9	Very high	43 Å²	43	30 Å²	30	16%	0.162	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.9	2.1	-179.8	-64	-179.7	-75.1	111.9	20.6	115.5	R120 D187 E511 N512 A515 W524	R120-R122 PolarHBondContact O-N 3.36Å; R122-D187 IonicContact CZ-OD2 2.67Å; R122-D187 IonicContact NE-OD2 3.39Å; R122-D187 PolarHBondContact NE-OD2 3.33Å; R122-D187 PolarHBondContact NH2-O 3.46Å; R122-D187 IonicContact NH2-OD2 3.18Å; R122-D187 PolarHBondContact NH2-OD2 2.87Å; R122-E511 HydrophobicContact CB-CB 4.1Å; R122-E511 HydrophobicContact CB-CG 4.48Å; R122-E511 VanDerWaalsContact CZ-CD 3.49Å; R122-E511 IonicContact CZ-OE1 3.37Å; R122-E511 IonicContact CZ-OE2 3.51Å; R122-E511 VanDerWaalsContact CZ-OE2 3.27Å; R122-E511 VanDerWaalsContact NH1-CD 3.28Å; R122-E511 IonicContact NH1-OE1 2.74Å; R122-E511 IonicContact NH1-OE2 3.49Å; R122-E511 PolarHBondContact NH1-OE2 2.95Å; R122-E511 IonicContact NH2-OE1 3.37Å; R122-E511 PolarHBondContact NH2-OE1 3.2Å; R122-E511 IonicContact NH2-OE2 3.63Å; R122-E511 PolarHBondContact NH2-OE2 3.26Å; R122-E511 VanDerWaalsContact NH2-OE2 3.1Å; R122-E511 CarbonylContact O-C 3.6Å; R122-E511 WeakPolarHBondContact O-CA 3.2Å; R122-N512 PolarHBondContact O-N 3.05Å; R122-A515 HydrophobicContact CB-CB 3.91Å; R122-A515 HydrophobicContact CG-CB 3.83Å; R122-W524 HydrophobicContact CG-CH2 3.78Å; R122-W524 HydrophobicContact CG-CZ3 3.72Å
123	Q	95.8	Very high	94.9	Very high	7 Å²	7	30 Å²	30	3%	0.033	15%	0.151	C	C	.	.	S	Bend	trans	-83.9	133.1	178.6	-80.1	178	-53.2	0	0	111.7	I118 R120 N125 Y508 P509 E511 W527	I118-Q123 PolarHBondContact O-OE1 3.21Å; R120-Q123 HydrophobicContact CB-CB 4.49Å; R120-Q123 HydrophobicContact CB-CG 4.01Å; R120-Q123 PolarHBondContact O-N 2.84Å; Q123-N125 HydrophobicContact CB-CB 4.44Å; Q123-N125 PolarHBondContact O-N 3.31Å; Q123-Y508 VanDerWaalsContact NE2-CE2 3.3Å; Q123-P509 WeakPolarHBondContact CG-O 3.42Å; Q123-P509 PolarHBondContact NE2-O 2.91Å; Q123-E511 HydrophobicContact CG-CG 4.44Å; Q123-W527 WeakPolarHBondContact O-CH2 3.28Å
124	P	96.4	Very high	94.9	Very high	35 Å²	35	30 Å²	30	23%	0.227	15%	0.151	C	C	.	.	S	Bend	trans	-77.1	65.9	172.1	34.1	-34.5	0	0	0	110	Y156 P509 A510 N512 W527	P124-Y156 HydrophobicContact CB-CD2 3.75Å; P124-Y156 HydrophobicContact CB-CE2 4.07Å; P124-Y156 HydrophobicContact CB-CG 4.25Å; P124-P509 HydrophobicContact CG-CB 4.1Å; P124-P509 HydrophobicContact CG-CG 4.12Å; P124-A510 WeakPolarHBondContact CD-O 3.15Å; P124-N512 HydrophobicContact CG-CB 4.47Å; P124-W527 HydrophobicContact CB-CZ2 4.36Å
125	N	96.4	Very high	95	Very high	2 Å²	2	29.7 Å²	29.7	1%	0.011	15%	0.149	C	C	.	.			trans	-140.8	149.2	-178.5	-163.4	11.9	0	0	0	110.9	I119 Q123 G154 Y156 R507 P509	I119-N125 HydrophobicContact CG1-CB 4.36Å; I119-N125 HydrophobicContact CG2-CB 4.4Å; Q123-N125 HydrophobicContact CB-CB 4.44Å; Q123-N125 PolarHBondContact O-N 3.31Å; N125-G154 WeakPolarHBondContact O-CA 3.35Å; N125-Y156 WeakPolarHBondContact O-CD1 3.49Å; N125-R507 PolarHBondContact ND2-O 3.25Å; N125-R507 PolarHBondContact OD1-NH1 2.55Å; N125-R507 VanDerWaalsContact OD1-NH1 3.12Å; N125-P509 HydrophobicContact CB-CG 3.87Å
126	C	96.9	Very high	95	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.027	16%	0.164	C	C	.	.			trans	-158.4	172.7	168.9	77	0	0	0	0	111	L153 Y156 C160 R507	C126-L153 CarbonylContact C-O 3.56Å; C126-L153 VanDerWaalsContact CA-O 3.23Å; C126-L153 WeakPolarHBondContact CA-O 3.47Å; C126-L153 VanDerWaalsContact CB-O 3.25Å; C126-L153 WeakPolarHBondContact CB-O 3.36Å; C126-Y156 HydrophobicContact CB-CD1 4.22Å; C126-Y156 HydrophobicContact CB-CE1 4.01Å; C126-C160 HydrophobicContact CB-CB 3.37Å; C126-C160 WeakPolarHBondContact CB-SG 3.41Å; C126-C160 WeakPolarHBondContact SG-CB 3.47Å; C126-C160 CovalentContact SG-SG 2.04Å; C126-C160 PolarHBondContact SG-SG 2.9Å; C126-R507 PolarHBondContact O-NH1 3.19Å
127	L	95.4	Very high	95.1	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	16%	0.159	C	C	.	.	S	Bend	trans	-48	128.8	173.4	-168.6	73.7	0	0	0	110.7	I104 T105 L114 L129 L153 R165	I104-L127 HydrophobicContact CG2-CD2 3.81Å; T105-L127 HydrophobicContact CG2-CD1 3.71Å; T105-L127 HydrophobicContact CG2-CD2 3.79Å; T105-L127 HydrophobicContact CG2-CG 3.99Å; L114-L127 HydrophobicContact CD1-CD1 4.23Å; L127-L129 PolarHBondContact O-N 3.23Å; L127-L153 HydrophobicContact CB-CB 4.37Å; L127-L153 HydrophobicContact CD2-CD1 4.31Å; L127-L153 PolarHBondContact N-O 3.38Å; L127-R165 PolarHBondContact O-NH1 2.9Å
128	P	93.3	Very high	95.3	Very high	16 Å²	16	30.5 Å²	30.5	10%	0.104	15%	0.15	C	C	.	.			trans	-51	130.7	-174.7	-29.4	35.2	0	0	0	113.3	T112 D130 R131 R165	T112-P128 WeakPolarHBondContact O-CG 3.4Å; P128-D130 VanDerWaalsContact C-N 3.3Å; P128-D130 WeakPolarHBondContact CB-OD1 3.37Å; P128-D130 PolarHBondContact O-N 2.98Å; P128-R131 HydrophobicContact CB-CG 4.36Å; P128-R165 PolarHBondContact O-NH1 3Å; P128-R165 PolarHBondContact O-NH2 3.46Å
129	L	92.9	Very high	95.3	Very high	78 Å²	78	32.2 Å²	32.2	41%	0.408	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-22.8	-172.4	-57	-175.7	0	0	0	112.8	L127 R131 D159	L127-L129 PolarHBondContact O-N 3.23Å; L129-R131 PolarHBondContact O-N 2.78Å; L129-D159 HydrophobicContact CD1-CB 4.15Å; L129-D159 HydrophobicContact CD2-CB 4.1Å
130	D	88.4	Confident	95.3	Very high	105 Å²	105	37 Å²	37	56%	0.561	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-2.6	178.6	68.6	-43.1	0	0	0	114.1	P128	P128-D130 VanDerWaalsContact C-N 3.3Å; P128-D130 WeakPolarHBondContact CB-OD1 3.37Å; P128-D130 PolarHBondContact O-N 2.98Å
131	R	84.4	Confident	95.3	Very high	80 Å²	80	33.4 Å²	33.4	30%	0.302	17%	0.171	S	C	.	.	S	Bend	trans	-112.7	116.3	-178.8	-53.5	-61.7	152.8	134.9	-2	111.5	P128 L129 P133 R165	P128-R131 HydrophobicContact CB-CG 4.36Å; L129-R131 PolarHBondContact O-N 2.78Å; R131-P133 WeakPolarHBondContact O-CD 3.48Å; R131-R165 PolarHBondContact O-NH2 2.7Å
132	A	92.3	Very high	95.4	Very high	27 Å²	27	34.9 Å²	34.9	22%	0.223	19%	0.188	C	C	.	.			trans	-61.1	116	174.3	0	0	0	0	0	111.2	Y354	A132-Y354 PolarHBondContact O-OH 3.49Å
133	P	96.3	Very high	95.5	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.			trans	-69.8	159.3	-179.4	-23.8	38.2	0	0	0	113.6	I104 R131 P135 Q136 K137 R165	I104-P133 HydrophobicContact CG2-CB 3.81Å; I104-P133 CarbonylContact O-C 3.55Å; I104-P133 WeakPolarHBondContact O-CA 3.31Å; R131-P133 WeakPolarHBondContact O-CD 3.48Å; P133-P135 HydrophobicContact CB-CG 4.02Å; P133-Q136 WeakPolarHBondContact O-CB 3.41Å; P133-Q136 PolarHBondContact O-N 2.86Å; P133-Q136 VanDerWaalsContact O-N 3.12Å; P133-K137 PolarHBondContact O-N 2.96Å; P133-K137 VanDerWaalsContact O-N 3.08Å; P133-R165 WeakPolarHBondContact CB-O 3.46Å; P133-R165 HydrophobicContact CG-CB 4.02Å; P133-R165 WeakPolarHBondContact CG-O 3.44Å
134	L	98.5	Very high	95.6	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-46.4	-54.6	170.7	171	58.6	0	0	0	113	I104 Q136 K137 L138 F233 Y354 L357 V358	I104-L134 PolarHBondContact O-N 3.33Å; L134-Q136 VanDerWaalsContact C-N 3.31Å; L134-Q136 PolarHBondContact O-N 3.1Å; L134-K137 PolarHBondContact O-N 2.85Å; L134-K137 VanDerWaalsContact O-N 3.1Å; L134-L138 HydrophobicContact CD1-CD1 3.84Å; L134-L138 HydrophobicContact CD1-CG 4.04Å; L134-L138 HydrophobicContact CG-CD1 4.06Å; L134-L138 WeakPolarHBondContact O-CG 3.29Å; L134-L138 PolarHBondContact O-N 3.14Å; L134-F233 HydrophobicContact CD2-CZ 4.25Å; L134-Y354 HydrophobicContact CB-CD2 3.66Å; L134-Y354 HydrophobicContact CB-CE2 3.97Å; L134-Y354 HydrophobicContact CB-CG 4.39Å; L134-L357 HydrophobicContact CD1-CB 4.16Å; L134-L357 HydrophobicContact CD2-CD1 4.03Å; L134-V358 HydrophobicContact CD1-CG2 3.73Å
135	P	98.4	Very high	95.7	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-61.6	-34.5	180	26.6	-38.8	0	0	0	113.1	P133 L138 Q139 T145 R165 G166 F167 F233	P133-P135 HydrophobicContact CB-CG 4.02Å; P135-L138 CarbonylContact O-C 3.51Å; P135-L138 PolarHBondContact O-N 2.91Å; P135-L138 VanDerWaalsContact O-N 3.12Å; P135-Q139 PolarHBondContact O-N 3.25Å; P135-T145 HydrophobicContact CB-CG2 4.45Å; P135-R165 WeakPolarHBondContact CG-O 3.4Å; P135-G166 CarbonylContact C-O 3.58Å; P135-G166 WeakPolarHBondContact CB-O 3.11Å; P135-F167 HydrophobicContact CB-CD1 3.87Å; P135-F167 HydrophobicContact CB-CD2 4.33Å; P135-F167 HydrophobicContact CB-CE1 3.67Å; P135-F167 HydrophobicContact CB-CE2 4.16Å; P135-F167 HydrophobicContact CB-CG 4.21Å; P135-F167 HydrophobicContact CB-CZ 3.82Å; P135-F167 HydrophobicContact CG-CD1 4.42Å; P135-F167 HydrophobicContact CG-CD2 4.04Å; P135-F167 HydrophobicContact CG-CE1 4.08Å; P135-F167 HydrophobicContact CG-CE2 3.67Å; P135-F167 HydrophobicContact CG-CG 4.42Å; P135-F167 HydrophobicContact CG-CZ 3.68Å; P135-F233 HydrophobicContact CB-CD1 4.11Å; P135-F233 HydrophobicContact CB-CE1 3.97Å
136	Q	97.3	Very high	95.9	Very high	74 Å²	74	32.5 Å²	32.5	35%	0.346	18%	0.177	S	C	.	.	H	α-helix	trans	-61.8	-44.7	172.3	-176.4	-175.3	-9.3	0	0	111.5	P133 L134 L138 Q139 E140	P133-Q136 WeakPolarHBondContact O-CB 3.41Å; P133-Q136 PolarHBondContact O-N 2.86Å; P133-Q136 VanDerWaalsContact O-N 3.12Å; L134-Q136 VanDerWaalsContact C-N 3.31Å; L134-Q136 PolarHBondContact O-N 3.1Å; Q136-L138 PolarHBondContact O-N 3.27Å; Q136-Q139 WeakPolarHBondContact O-CB 3.21Å; Q136-Q139 PolarHBondContact O-N 2.94Å; Q136-E140 WeakPolarHBondContact O-CG 3.4Å; Q136-E140 PolarHBondContact O-N 2.71Å
137	K	97.8	Very high	96	Very high	15 Å²	15	32.3 Å²	32.3	7%	0.065	18%	0.176	C	C	.	.	H	α-helix	trans	-65.2	-23.3	175.1	-68.9	-69.1	143.9	-170.5	0	113.3	P133 L134 E140 A141 Y354 V358 S367 V368	P133-K137 PolarHBondContact O-N 2.96Å; P133-K137 VanDerWaalsContact O-N 3.08Å; L134-K137 PolarHBondContact O-N 2.85Å; L134-K137 VanDerWaalsContact O-N 3.1Å; K137-E140 WeakPolarHBondContact CD-OE2 3.36Å; K137-E140 WeakPolarHBondContact CE-OE1 3.41Å; K137-E140 WeakPolarHBondContact CE-OE2 3.27Å; K137-E140 IonicContact NZ-OE1 2.71Å; K137-E140 PolarHBondContact NZ-OE1 3.12Å; K137-E140 IonicContact NZ-OE2 3.71Å; K137-E140 PolarHBondContact NZ-OE2 3.48Å; K137-A141 PolarHBondContact O-N 2.79Å; K137-Y354 HydrophobicContact CG-CE1 4.5Å; K137-Y354 WeakPolarHBondContact CG-OH 3.42Å; K137-V358 HydrophobicContact CB-CG2 3.77Å; K137-S367 PolarHBondContact NZ-OG 2.81Å; K137-V368 HydrophobicContact CD-CG2 3.82Å; K137-V368 HydrophobicContact CG-CG2 4.22Å
138	L	98.4	Very high	96.1	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-80.7	-37.5	172.5	-63.9	173.4	0	0	0	111.9	I52 L134 P135 Q136 E140 A141 G142 Y143 T145 F233 A361	I52-L138 HydrophobicContact CD1-CD2 4.19Å; L134-L138 HydrophobicContact CD1-CD1 3.84Å; L134-L138 HydrophobicContact CD1-CG 4.04Å; L134-L138 HydrophobicContact CG-CD1 4.06Å; L134-L138 WeakPolarHBondContact O-CG 3.29Å; L134-L138 PolarHBondContact O-N 3.14Å; P135-L138 CarbonylContact O-C 3.51Å; P135-L138 PolarHBondContact O-N 2.91Å; P135-L138 VanDerWaalsContact O-N 3.12Å; Q136-L138 PolarHBondContact O-N 3.27Å; L138-E140 VanDerWaalsContact C-N 3.34Å; L138-A141 CarbonylContact O-C 3.58Å; L138-A141 WeakPolarHBondContact O-CA 3.44Å; L138-A141 PolarHBondContact O-N 2.87Å; L138-A141 VanDerWaalsContact O-N 3.09Å; L138-G142 PolarHBondContact O-N 2.77Å; L138-Y143 HydrophobicContact CB-CG 4.19Å; L138-Y143 VanDerWaalsContact O-CB 3.29Å; L138-Y143 WeakPolarHBondContact O-CB 3.45Å; L138-Y143 PolarHBondContact O-N 2.79Å; L138-T145 HydrophobicContact CB-CG2 4.31Å; L138-F233 HydrophobicContact CD1-CB 3.93Å; L138-F233 HydrophobicContact CD1-CD1 3.55Å; L138-F233 HydrophobicContact CD1-CD2 3.91Å; L138-F233 HydrophobicContact CD1-CE1 3.95Å; L138-F233 HydrophobicContact CD1-CE2 4.29Å; L138-F233 HydrophobicContact CD1-CG 3.52Å; L138-F233 HydrophobicContact CD1-CZ 4.3Å; L138-A361 HydrophobicContact CD2-CB 3.38Å
139	Q	97.2	Very high	96.4	Very high	73 Å²	73	31.5 Å²	31.5	34%	0.341	17%	0.17	S	C	.	.	H	α-helix	trans	-58.7	-44.9	168.5	-71.7	178.3	-44.4	0	0	111.2	P135 Q136 A141 G142 T145 G166 D168	P135-Q139 PolarHBondContact O-N 3.25Å; Q136-Q139 WeakPolarHBondContact O-CB 3.21Å; Q136-Q139 PolarHBondContact O-N 2.94Å; Q139-A141 PolarHBondContact O-N 2.79Å; Q139-G142 WeakPolarHBondContact O-CA 3.38Å; Q139-G142 PolarHBondContact O-N 3.26Å; Q139-T145 HydrophobicContact CG-CG2 3.64Å; Q139-G166 PolarHBondContact NE2-O 2.86Å; Q139-G166 VanDerWaalsContact OE1-CA 3.28Å; Q139-G166 PolarHBondContact OE1-O 3.37Å; Q139-D168 PolarHBondContact NE2-OD1 2.85Å
140	E	96.6	Very high	96.7	Very high	107 Å²	107	27.8 Å²	27.8	50%	0.5	15%	0.151	S	C	.	.	H	α-helix	trans	-58.7	-31.7	173.2	-71.4	173.2	-145.3	0	0	112.5	Q136 K137 L138 G142	Q136-E140 WeakPolarHBondContact O-CG 3.4Å; Q136-E140 PolarHBondContact O-N 2.71Å; K137-E140 WeakPolarHBondContact CD-OE2 3.36Å; K137-E140 WeakPolarHBondContact CE-OE1 3.41Å; K137-E140 WeakPolarHBondContact CE-OE2 3.27Å; K137-E140 IonicContact NZ-OE1 2.71Å; K137-E140 PolarHBondContact NZ-OE1 3.12Å; K137-E140 IonicContact NZ-OE2 3.71Å; K137-E140 PolarHBondContact NZ-OE2 3.48Å; L138-E140 VanDerWaalsContact C-N 3.34Å; E140-G142 VanDerWaalsContact C-N 3.27Å; E140-G142 PolarHBondContact O-N 3Å
141	A	96.8	Very high	97.2	Very high	26 Å²	26	22.9 Å²	22.9	22%	0.215	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	10.5	172.9	0	0	0	0	0	113.9	K137 L138 Q139 Y143 A361	K137-A141 PolarHBondContact O-N 2.79Å; L138-A141 CarbonylContact O-C 3.58Å; L138-A141 WeakPolarHBondContact O-CA 3.44Å; L138-A141 PolarHBondContact O-N 2.87Å; L138-A141 VanDerWaalsContact O-N 3.09Å; Q139-A141 PolarHBondContact O-N 2.79Å; A141-Y143 HydrophobicContact CB-CD2 4.17Å; A141-Y143 HydrophobicContact CB-CE2 4.43Å; A141-A361 HydrophobicContact CB-CB 3.99Å
142	G	97.1	Very high	97.8	Very high	39 Å²	39	19.4 Å²	19.4	40%	0.402	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	9.5	175.2	0	0	0	0	0	115.9	L138 Q139 E140 K230	L138-G142 PolarHBondContact O-N 2.77Å; Q139-G142 WeakPolarHBondContact O-CA 3.38Å; Q139-G142 PolarHBondContact O-N 3.26Å; E140-G142 VanDerWaalsContact C-N 3.27Å; E140-G142 PolarHBondContact O-N 3Å; G142-K230 WeakPolarHBondContact O-CE 3.4Å
143	Y	98.6	Very high	98.1	Very high	4 Å²	4	18.1 Å²	18.1	2%	0.016	10%	0.101	C	C	.	.			trans	-71.6	147.5	175.1	-74.7	-123.2	0	0	0	110.5	P49 P50 I52 L138 A141 P231 F233 A361	P49-Y143 HydrophobicContact CB-CE2 3.99Å; P49-Y143 WeakPolarHBondContact CB-OH 3.2Å; P50-Y143 WeakPolarHBondContact O-CE1 3.4Å; P50-Y143 VanDerWaalsContact O-CZ 3.29Å; P50-Y143 PolarHBondContact O-OH 3.39Å; I52-Y143 HydrophobicContact CB-CE1 4.48Å; I52-Y143 HydrophobicContact CD1-CE1 3.69Å; I52-Y143 HydrophobicContact CG1-CE1 3.98Å; L138-Y143 HydrophobicContact CB-CG 4.19Å; L138-Y143 VanDerWaalsContact O-CB 3.29Å; L138-Y143 WeakPolarHBondContact O-CB 3.45Å; L138-Y143 PolarHBondContact O-N 2.79Å; A141-Y143 HydrophobicContact CB-CD2 4.17Å; A141-Y143 HydrophobicContact CB-CE2 4.43Å; Y143-P231 HydrophobicContact CD1-CB 3.87Å; Y143-P231 HydrophobicContact CD2-CB 3.83Å; Y143-P231 HydrophobicContact CD2-CG 3.92Å; Y143-P231 HydrophobicContact CE1-CB 3.72Å; Y143-P231 HydrophobicContact CE2-CB 3.66Å; Y143-P231 HydrophobicContact CE2-CG 4.01Å; Y143-P231 HydrophobicContact CG-CB 3.9Å; Y143-P231 HydrophobicContact CG-CG 4.25Å; Y143-F233 HydrophobicContact CD1-CB 4.06Å; Y143-A361 HydrophobicContact CD2-CB 4.09Å; Y143-A361 HydrophobicContact CE2-CB 3.31Å; Y143-A361 WeakPolarHBondContact OH-CA 3.36Å
144	S	98.6	Very high	98.2	Very high	18 Å²	18	18.2 Å²	18.2	13%	0.126	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	141.2	153.9	-100.8	0	0	0	0	110.5	D168 K230 P231 I232 F233	S144-D168 WeakPolarHBondContact CA-OD2 3.44Å; S144-D168 WeakPolarHBondContact CB-OD2 3.45Å; S144-D168 PolarHBondContact OG-OD2 3.19Å; S144-K230 PolarHBondContact OG-NZ 2.93Å; S144-P231 PolarHBondContact N-O 3.48Å; S144-P231 VanDerWaalsContact N-O 3.13Å; S144-I232 CarbonylContact O-C 3.49Å; S144-I232 WeakPolarHBondContact O-CA 3.48Å; S144-F233 PolarHBondContact O-N 2.86Å
145	T	98.9	Very high	98.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.5	-163.2	55.9	0	0	0	0	111.5	P135 L138 Q139 G166 F167 D168 T169 F233	P135-T145 HydrophobicContact CB-CG2 4.45Å; L138-T145 HydrophobicContact CB-CG2 4.31Å; Q139-T145 HydrophobicContact CG-CG2 3.64Å; T145-G166 PolarHBondContact OG1-O 3.39Å; T145-F167 WeakPolarHBondContact OG1-CA 3.08Å; T145-D168 PolarHBondContact N-OD2 2.8Å; T145-D168 WeakPolarHBondContact O-CA 3.48Å; T145-D168 VanDerWaalsContact O-CB 3.27Å; T145-D168 WeakPolarHBondContact O-CB 3.41Å; T145-D168 PolarHBondContact O-N 3.25Å; T145-D168 PolarHBondContact OG1-N 3.49Å; T145-D168 PolarHBondContact OG1-OD1 2.88Å; T145-D168 VanDerWaalsContact OG1-OD1 3.04Å; T145-T169 PolarHBondContact O-N 2.89Å; T145-F233 HydrophobicContact CG2-CB 4.24Å; T145-F233 HydrophobicContact CG2-CD1 4.34Å
146	H	98.9	Very high	98.1	Very high	15 Å²	15	18.9 Å²	18.9	7%	0.069	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	132.6	-174.8	-50.6	-82.1	0	0	0	110.4	T169 I222 F233 I234 Y235	H146-T169 WeakPolarHBondContact CA-O 3.47Å; H146-T169 PolarHBondContact ND1-OG1 3.27Å; H146-I222 HydrophobicContact CB-CD1 3.85Å; H146-F233 PolarHBondContact N-O 3.04Å; H146-I234 HydrophobicContact CB-CG1 4.47Å; H146-I234 WeakPolarHBondContact O-CA 3.46Å; H146-Y235 PolarHBondContact O-N 3.33Å
147	M	98.9	Very high	98.1	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	135	169.8	178	168.4	-179.8	0	0	110.2	K150 W151 P162 F167 T169 F170 L171 Y235 A237	M147-K150 VanDerWaalsContact CE-C 3.45Å; M147-K150 VanDerWaalsContact CE-O 3.24Å; M147-K150 WeakPolarHBondContact CE-O 3.26Å; M147-W151 HydrophobicContact CE-CB 4.07Å; M147-W151 HydrophobicContact CE-CE3 3.97Å; M147-W151 HydrophobicContact SD-CD2 4.49Å; M147-W151 HydrophobicContact SD-CE3 3.6Å; M147-W151 HydrophobicContact SD-CZ3 4.14Å; M147-P162 HydrophobicContact SD-CB 4.18Å; M147-P162 HydrophobicContact SD-CG 4.19Å; M147-F167 HydrophobicContact CB-CB 4.36Å; M147-F167 HydrophobicContact CB-CD1 3.71Å; M147-F167 HydrophobicContact CB-CD2 3.84Å; M147-F167 HydrophobicContact CB-CE1 3.81Å; M147-F167 HydrophobicContact CB-CE2 3.93Å; M147-F167 HydrophobicContact CB-CG 3.72Å; M147-F167 HydrophobicContact CB-CZ 3.93Å; M147-F167 HydrophobicContact CG-CE2 4.42Å; M147-F167 HydrophobicContact CG-CZ 4.47Å; M147-F167 HydrophobicContact SD-CD2 4.27Å; M147-F167 HydrophobicContact SD-CE2 3.84Å; M147-F167 HydrophobicContact SD-CZ 4.29Å; M147-T169 PolarHBondContact N-O 2.99Å; M147-F170 HydrophobicContact CB-CD2 3.96Å; M147-F170 HydrophobicContact CE-CE2 4.11Å; M147-F170 HydrophobicContact CG-CD2 3.8Å; M147-F170 HydrophobicContact CG-CE2 3.95Å; M147-F170 WeakPolarHBondContact O-CA 3.48Å; M147-F170 HydrophobicContact SD-CD2 4.17Å; M147-F170 HydrophobicContact SD-CE2 4.01Å; M147-L171 PolarHBondContact O-N 2.76Å; M147-L171 VanDerWaalsContact O-N 3.08Å; M147-Y235 WeakPolarHBondContact CA-O 3.14Å; M147-Y235 HydrophobicContact CB-CD1 4.42Å; M147-Y235 HydrophobicContact CE-CD1 3.87Å; M147-Y235 HydrophobicContact CE-CE1 3.59Å; M147-Y235 HydrophobicContact CG-CD1 3.78Å; M147-Y235 HydrophobicContact CG-CE1 4.45Å; M147-Y235 HydrophobicContact SD-CD1 3.64Å; M147-Y235 HydrophobicContact SD-CE1 3.84Å; M147-A237 HydrophobicContact CE-CB 3.93Å
148	V	98.9	Very high	98	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	120	173.4	-169.8	0	0	0	0	109.2	L171 Y215 R218 V219 I222 Y235 V236 A237	V148-L171 CarbonylContact C-O 3.6Å; V148-L171 VanDerWaalsContact CA-O 3.28Å; V148-L171 WeakPolarHBondContact CA-O 3.32Å; V148-Y215 HydrophobicContact CG1-CD1 3.64Å; V148-Y215 HydrophobicContact CG1-CG 3.81Å; V148-R218 HydrophobicContact CG1-CB 4.07Å; V148-R218 HydrophobicContact CG1-CG 4.37Å; V148-R218 HydrophobicContact CG2-CB 4.4Å; V148-R218 HydrophobicContact CG2-CG 4.08Å; V148-V219 HydrophobicContact CB-CG2 4.24Å; V148-V219 HydrophobicContact CG2-CG2 3.93Å; V148-I222 HydrophobicContact CG2-CD1 3.99Å; V148-Y235 PolarHBondContact N-O 3.45Å; V148-V236 CarbonylContact O-C 3.59Å; V148-A237 PolarHBondContact O-N 3.3Å
149	G	98.8	Very high	97.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	106	-154.2	178.4	0	0	0	0	0	115.6	W151 F170 L171 G172 A237	G149-W151 PolarHBondContact O-N 2.93Å; G149-F170 VanDerWaalsContact O-CE2 3.31Å; G149-F170 WeakPolarHBondContact O-CE2 3.27Å; G149-L171 PolarHBondContact N-O 2.92Å; G149-G172 WeakPolarHBondContact O-CA 3.38Å; G149-A237 CarbonylContact C-O 3.58Å; G149-A237 VanDerWaalsContact CA-O 3.25Å; G149-A237 WeakPolarHBondContact CA-O 3.38Å
150	K	98.9	Very high	97.9	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.111	C	C	.	.			trans	-71.1	118.6	-164.4	168.6	-179.7	161.5	175	0	113.7	D58 C96 R100 M147 H152 G176 A237	D58-K150 IonicContact OD1-NZ 2.72Å; D58-K150 PolarHBondContact OD1-NZ 3.26Å; D58-K150 WeakPolarHBondContact OD2-CD 3.4Å; D58-K150 WeakPolarHBondContact OD2-CE 3.31Å; D58-K150 IonicContact OD2-NZ 2.65Å; D58-K150 PolarHBondContact OD2-NZ 3.39Å; C96-K150 PolarHBondContact SG-NZ 3.21Å; C96-K150 VanDerWaalsContact SG-NZ 3.38Å; R100-K150 PolarHBondContact NH1-O 2.97Å; M147-K150 VanDerWaalsContact CE-C 3.45Å; M147-K150 VanDerWaalsContact CE-O 3.24Å; M147-K150 WeakPolarHBondContact CE-O 3.26Å; K150-H152 HydrophobicContact CG-CB 4.02Å; K150-G176 WeakPolarHBondContact CE-O 3.42Å; K150-G176 PolarHBondContact NZ-O 2.65Å; K150-A237 PolarHBondContact N-O 3.48Å; K150-A237 WeakPolarHBondContact O-CB 3.44Å
151	W	98.8	Very high	98	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.008	9%	0.089	C	C	.	.			trans	-78.1	-70.2	175.2	-179.5	-130.8	0	0	0	112.5	I104 M147 G149 L153 G154 C160 P162 R165 F167 F170 S173 L174	I104-W151 HydrophobicContact CG2-CH2 4.47Å; M147-W151 HydrophobicContact CE-CB 4.07Å; M147-W151 HydrophobicContact CE-CE3 3.97Å; M147-W151 HydrophobicContact SD-CD2 4.49Å; M147-W151 HydrophobicContact SD-CE3 3.6Å; M147-W151 HydrophobicContact SD-CZ3 4.14Å; G149-W151 PolarHBondContact O-N 2.93Å; W151-L153 HydrophobicContact CD2-CB 4.02Å; W151-L153 HydrophobicContact CD2-CG 4.38Å; W151-L153 HydrophobicContact CE3-CB 4.45Å; W151-L153 HydrophobicContact CE3-CD1 4.16Å; W151-L153 HydrophobicContact CE3-CG 4.38Å; W151-L153 HydrophobicContact CH2-CB 4.38Å; W151-L153 HydrophobicContact CH2-CD1 3.9Å; W151-L153 HydrophobicContact CZ2-CB 3.92Å; W151-L153 HydrophobicContact CZ2-CD1 4.29Å; W151-L153 HydrophobicContact CZ3-CD1 3.81Å; W151-L153 HydrophobicContact CZ3-CG 4.49Å; W151-L153 PolarHBondContact O-N 3.14Å; W151-G154 PolarHBondContact NE1-O 2.72Å; W151-G154 VanDerWaalsContact NE1-O 3.12Å; W151-C160 WeakPolarHBondContact CZ2-O 3.43Å; W151-C160 PolarHBondContact NE1-O 3.33Å; W151-P162 HydrophobicContact CB-CG 4.1Å; W151-P162 HydrophobicContact CD2-CG 3.68Å; W151-P162 HydrophobicContact CE3-CG 4.08Å; W151-P162 HydrophobicContact CG-CG 3.72Å; W151-R165 HydrophobicContact CH2-CB 3.96Å; W151-R165 HydrophobicContact CH2-CG 4.36Å; W151-R165 HydrophobicContact CZ2-CB 4.07Å; W151-R165 HydrophobicContact CZ2-CG 4Å; W151-F167 HydrophobicContact CZ3-CE2 4.07Å; W151-F170 HydrophobicContact CB-CZ 4.46Å; W151-S173 PolarHBondContact N-O 3.44Å; W151-L174 HydrophobicContact CB-CD2 4.46Å
152	H	98.6	Very high	98.1	Very high	6 Å²	6	14.1 Å²	14.1	3%	0.028	8%	0.08	C	C	.	.			trans	58.3	25.5	176.9	-159.6	-158.3	0	0	0	115.7	C96 T97 K150 L174 G176	C96-H152 WeakPolarHBondContact CB-ND1 3.35Å; T97-H152 PolarHBondContact OG1-CD2 3.14Å; T97-H152 PolarHBondContact OG1-CE1 2.71Å; T97-H152 PolarHBondContact OG1-ND1 2.9Å; T97-H152 PolarHBondContact OG1-NE2 2.9Å; T97-H152 PolarHBondContact OG1-O 2.84Å; K150-H152 HydrophobicContact CG-CB 4.02Å; H152-L174 WeakPolarHBondContact CA-O 3.43Å; H152-L174 PolarHBondContact N-O 2.83Å; H152-L174 VanDerWaalsContact N-O 3.09Å; H152-G176 WeakPolarHBondContact CD2-CA 3.23Å; H152-G176 PolarHBondContact CD2-N 2.94Å; H152-G176 WeakPolarHBondContact NE2-CA 3.46Å
153	L	98.5	Very high	98.1	Very high	1 Å²	1	14 Å²	14	1%	0.005	7%	0.071	C	C	.	.	S	Bend	trans	-111.1	21.1	174.8	-61.6	-174.9	0	0	0	113.6	T97 R100 I104 C126 L127 W151	T97-L153 HydrophobicContact CG2-CD2 4.14Å; T97-L153 WeakPolarHBondContact O-CD2 3.36Å; R100-L153 HydrophobicContact CB-CD1 4.34Å; R100-L153 HydrophobicContact CB-CD2 3.74Å; R100-L153 HydrophobicContact CB-CG 4.15Å; I104-L153 HydrophobicContact CB-CD1 4.08Å; I104-L153 HydrophobicContact CG1-CD1 3.96Å; I104-L153 HydrophobicContact CG2-CD1 4.31Å; C126-L153 CarbonylContact C-O 3.56Å; C126-L153 VanDerWaalsContact CA-O 3.23Å; C126-L153 WeakPolarHBondContact CA-O 3.47Å; C126-L153 VanDerWaalsContact CB-O 3.25Å; C126-L153 WeakPolarHBondContact CB-O 3.36Å; L127-L153 HydrophobicContact CB-CB 4.37Å; L127-L153 HydrophobicContact CD2-CD1 4.31Å; L127-L153 PolarHBondContact N-O 3.38Å; W151-L153 HydrophobicContact CD2-CB 4.02Å; W151-L153 HydrophobicContact CD2-CG 4.38Å; W151-L153 HydrophobicContact CE3-CB 4.45Å; W151-L153 HydrophobicContact CE3-CD1 4.16Å; W151-L153 HydrophobicContact CE3-CG 4.38Å; W151-L153 HydrophobicContact CH2-CB 4.38Å; W151-L153 HydrophobicContact CH2-CD1 3.9Å; W151-L153 HydrophobicContact CZ2-CB 3.92Å; W151-L153 HydrophobicContact CZ2-CD1 4.29Å; W151-L153 HydrophobicContact CZ3-CD1 3.81Å; W151-L153 HydrophobicContact CZ3-CG 4.49Å; W151-L153 PolarHBondContact O-N 3.14Å
154	G	97.8	Very high	98.1	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.021	9%	0.094	C	C	.	.			trans	86.5	153.5	179.8	0	0	0	0	0	113.7	N125 W151 C160	N125-G154 WeakPolarHBondContact O-CA 3.35Å; W151-G154 PolarHBondContact NE1-O 2.72Å; W151-G154 VanDerWaalsContact NE1-O 3.12Å; G154-C160 WeakPolarHBondContact O-CB 3.24Å
155	F	97.8	Very high	98.1	Very high	6 Å²	6	19.8 Å²	19.8	3%	0.026	9%	0.09	C	C	.	.			trans	-152.1	7.8	-171.6	58.3	-93.9	0	0	0	114.6	P121 K157 L161 L174 T175 W524 P526 W527	P121-F155 HydrophobicContact CB-CZ 4.18Å; P121-F155 WeakPolarHBondContact O-CZ 3.4Å; F155-K157 VanDerWaalsContact C-N 3.28Å; F155-K157 PolarHBondContact O-N 2.7Å; F155-L161 HydrophobicContact CB-CD2 3.95Å; F155-L174 HydrophobicContact CB-CB 4.08Å; F155-L174 HydrophobicContact CB-CD1 3.99Å; F155-L174 HydrophobicContact CB-CD2 4.45Å; F155-L174 HydrophobicContact CB-CG 4.41Å; F155-L174 HydrophobicContact CD1-CB 3.66Å; F155-L174 HydrophobicContact CD2-CD1 4.4Å; F155-L174 HydrophobicContact CE1-CB 4.21Å; F155-L174 HydrophobicContact CG-CB 3.85Å; F155-L174 HydrophobicContact CG-CD1 4.17Å; F155-T175 HydrophobicContact CE1-CG2 3.83Å; F155-T175 HydrophobicContact CZ-CG2 3.87Å; F155-W524 HydrophobicContact CE2-CB 4.26Å; F155-W524 HydrophobicContact CE2-CE3 4.37Å; F155-W524 HydrophobicContact CZ-CB 4.32Å; F155-W524 HydrophobicContact CZ-CE3 4.14Å; F155-P526 VanDerWaalsContact O-CA 3.26Å; F155-P526 WeakPolarHBondContact O-CA 3.36Å; F155-P526 WeakPolarHBondContact O-CB 3.43Å; F155-P526 WeakPolarHBondContact O-CG 3.3Å; F155-W527 HydrophobicContact CD2-CZ3 4.2Å; F155-W527 HydrophobicContact CE2-CE3 4.46Å; F155-W527 AromaticContact CE2-CZ3 3.77Å; F155-W527 HydrophobicContact CE2-CZ3 3.77Å; F155-W527 HydrophobicContact CZ-CZ3 4.45Å
156	Y	97.3	Very high	98	Very high	9 Å²	9	20.1 Å²	20.1	4%	0.035	9%	0.093	C	C	.	.	S	Bend	trans	-62.3	-30	-172.6	77.1	-71.8	0	0	0	114.8	P124 N125 C126 C160 P526 W527 A528 D534	P124-Y156 HydrophobicContact CB-CD2 3.75Å; P124-Y156 HydrophobicContact CB-CE2 4.07Å; P124-Y156 HydrophobicContact CB-CG 4.25Å; N125-Y156 WeakPolarHBondContact O-CD1 3.49Å; C126-Y156 HydrophobicContact CB-CD1 4.22Å; C126-Y156 HydrophobicContact CB-CE1 4.01Å; Y156-C160 WeakPolarHBondContact CE1-SG 3.46Å; Y156-P526 CarbonylContact O-C 3.58Å; Y156-P526 WeakPolarHBondContact O-CA 3.32Å; Y156-W527 VanDerWaalsContact CB-CH2 3.4Å; Y156-W527 HydrophobicContact CG-CZ2 4.4Å; Y156-W527 PolarHBondContact O-N 3.22Å; Y156-A528 HydrophobicContact CD2-CB 3.97Å; Y156-A528 HydrophobicContact CE2-CB 4.48Å; Y156-A528 WeakPolarHBondContact O-CB 2.96Å; Y156-A528 PolarHBondContact O-N 2.74Å; Y156-D534 PolarHBondContact OH-OD1 3.1Å
157	K	96	Very high	98	Very high	18 Å²	18	19.5 Å²	19.5	8%	0.078	9%	0.09	C	C	.	.	S	Bend	trans	-111.1	153.7	168.3	-76.6	175.9	173.9	170	0	109.9	F155 D159 C160 A528 D532 D534	F155-K157 VanDerWaalsContact C-N 3.28Å; F155-K157 PolarHBondContact O-N 2.7Å; K157-D159 PolarHBondContact O-N 2.85Å; K157-C160 VanDerWaalsContact O-CB 3.28Å; K157-C160 WeakPolarHBondContact O-CB 3.27Å; K157-C160 PolarHBondContact O-N 3.15Å; K157-C160 VanDerWaalsContact O-N 3.09Å; K157-A528 HydrophobicContact CG-CB 3.7Å; K157-D532 WeakPolarHBondContact CE-O 3.43Å; K157-D532 PolarHBondContact NZ-O 2.78Å; K157-D534 IonicContact NZ-OD1 3.69Å; K157-D534 PolarHBondContact NZ-OD1 3.17Å; K157-D534 IonicContact NZ-OD2 2.7Å; K157-D534 PolarHBondContact NZ-OD2 2.94Å
158	K	96.3	Very high	98	Very high	92 Å²	92	22.8 Å²	22.8	40%	0.4	11%	0.108	S	C	.	.	G	3₁₀ helix	trans	-54.5	-39.8	174.6	-67.1	177.2	-170.5	159.6	0	112.3	C160 L161 R164 P526 E530	K158-C160 PolarHBondContact O-N 3.21Å; K158-C160 VanDerWaalsContact O-N 3.09Å; K158-L161 VanDerWaalsContact O-CB 3.23Å; K158-L161 WeakPolarHBondContact O-CB 3.18Å; K158-L161 VanDerWaalsContact O-CG 3.27Å; K158-L161 WeakPolarHBondContact O-CG 3.5Å; K158-L161 PolarHBondContact O-N 2.79Å; K158-R164 WeakPolarHBondContact O-CG 3.32Å; K158-P526 HydrophobicContact CG-CG 4.47Å; K158-E530 IonicContact NZ-OE1 3.46Å; K158-E530 PolarHBondContact NZ-OE1 3.35Å
159	D	96.4	Very high	98	Very high	73 Å²	73	24.7 Å²	24.7	39%	0.39	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	-64	-17.2	-177.9	-55.5	-41.6	0	0	0	113.5	L129 K157 R165	L129-D159 HydrophobicContact CD1-CB 4.15Å; L129-D159 HydrophobicContact CD2-CB 4.1Å; K157-D159 PolarHBondContact O-N 2.85Å; D159-R165 WeakPolarHBondContact O-CD 3.39Å; D159-R165 WeakPolarHBondContact O-CG 3.4Å
160	C	97.5	Very high	98	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.007	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-80.2	-14.2	173.8	-55.7	0	0	0	0	113.6	C126 W151 G154 Y156 K157 K158	C126-C160 HydrophobicContact CB-CB 3.37Å; C126-C160 WeakPolarHBondContact CB-SG 3.41Å; C126-C160 WeakPolarHBondContact SG-CB 3.47Å; C126-C160 CovalentContact SG-SG 2.04Å; C126-C160 PolarHBondContact SG-SG 2.9Å; W151-C160 WeakPolarHBondContact CZ2-O 3.43Å; W151-C160 PolarHBondContact NE1-O 3.33Å; G154-C160 WeakPolarHBondContact O-CB 3.24Å; Y156-C160 WeakPolarHBondContact CE1-SG 3.46Å; K157-C160 VanDerWaalsContact O-CB 3.28Å; K157-C160 WeakPolarHBondContact O-CB 3.27Å; K157-C160 PolarHBondContact O-N 3.15Å; K157-C160 VanDerWaalsContact O-N 3.09Å; K158-C160 PolarHBondContact O-N 3.21Å; K158-C160 VanDerWaalsContact O-N 3.09Å
161	L	98.4	Very high	98	Very high	10 Å²	10	25 Å²	25	5%	0.052	12%	0.121	C	C	.	.	S	Bend	trans	-71.6	151.1	-176.2	-62.2	176.4	0	0	0	112.3	F155 K158 T163 R164 R165 L174 E200 P526	F155-L161 HydrophobicContact CB-CD2 3.95Å; K158-L161 VanDerWaalsContact O-CB 3.23Å; K158-L161 WeakPolarHBondContact O-CB 3.18Å; K158-L161 VanDerWaalsContact O-CG 3.27Å; K158-L161 WeakPolarHBondContact O-CG 3.5Å; K158-L161 PolarHBondContact O-N 2.79Å; L161-T163 PolarHBondContact O-N 3.48Å; L161-T163 VanDerWaalsContact O-N 3.13Å; L161-R164 PolarHBondContact O-N 2.83Å; L161-R165 PolarHBondContact O-N 2.95Å; L161-L174 HydrophobicContact CD2-CD1 3.78Å; L161-L174 HydrophobicContact CD2-CD2 3.83Å; L161-L174 HydrophobicContact CD2-CG 4.49Å; L161-E200 HydrophobicContact CD1-CB 4.43Å; L161-E200 HydrophobicContact CD1-CG 4.04Å; L161-P526 HydrophobicContact CD1-CG 3.95Å; L161-P526 HydrophobicContact CD2-CG 4.13Å; L161-P526 HydrophobicContact CG-CG 4.21Å
162	P	98.6	Very high	98	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.006	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-37.8	178.4	-27.5	34.3	0	0	0	114.1	M147 W151 R164 R165 G166 F167 F170 L174	M147-P162 HydrophobicContact SD-CB 4.18Å; M147-P162 HydrophobicContact SD-CG 4.19Å; W151-P162 HydrophobicContact CB-CG 4.1Å; W151-P162 HydrophobicContact CD2-CG 3.68Å; W151-P162 HydrophobicContact CE3-CG 4.08Å; W151-P162 HydrophobicContact CG-CG 3.72Å; P162-R164 VanDerWaalsContact C-N 3.28Å; P162-R164 PolarHBondContact O-N 2.9Å; P162-R165 CarbonylContact O-C 3.52Å; P162-R165 PolarHBondContact O-N 3.46Å; P162-G166 PolarHBondContact O-N 2.88Å; P162-F167 HydrophobicContact CB-CD2 3.93Å; P162-F167 PolarHBondContact O-N 2.99Å; P162-F167 VanDerWaalsContact O-N 3.14Å; P162-F170 HydrophobicContact CB-CB 4.15Å; P162-F170 HydrophobicContact CB-CD1 4.47Å; P162-F170 HydrophobicContact CB-CD2 3.9Å; P162-F170 HydrophobicContact CB-CE2 4.41Å; P162-F170 HydrophobicContact CB-CG 3.93Å; P162-F170 HydrophobicContact CG-CD1 4.04Å; P162-F170 HydrophobicContact CG-CD2 3.78Å; P162-F170 HydrophobicContact CG-CE1 4.06Å; P162-F170 HydrophobicContact CG-CE2 3.81Å; P162-F170 HydrophobicContact CG-CG 3.89Å; P162-F170 HydrophobicContact CG-CZ 3.95Å; P162-L174 HydrophobicContact CG-CD2 4.5Å
163	T	98.4	Very high	98	Very high	35 Å²	35	24.6 Å²	24.6	22%	0.215	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-27.2	176.8	45.5	0	0	0	0	113.9	L161 F170 E200	L161-T163 PolarHBondContact O-N 3.48Å; L161-T163 VanDerWaalsContact O-N 3.13Å; T163-F170 HydrophobicContact CG2-CB 4.26Å; T163-E200 WeakPolarHBondContact CB-OE1 3.4Å; T163-E200 HydrophobicContact CG2-CG 4.07Å; T163-E200 WeakPolarHBondContact OG1-CG 3.39Å; T163-E200 PolarHBondContact OG1-OE1 3.23Å
164	R	97.7	Very high	98	Very high	135 Å²	135	24.6 Å²	24.6	51%	0.509	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-11.2	175.2	-54.5	-57.4	168.7	143.5	-0.7	113	K158 L161 P162 E200	K158-R164 WeakPolarHBondContact O-CG 3.32Å; L161-R164 PolarHBondContact O-N 2.83Å; P162-R164 VanDerWaalsContact C-N 3.28Å; P162-R164 PolarHBondContact O-N 2.9Å; R164-E200 IonicContact CZ-OE1 3.73Å; R164-E200 IonicContact CZ-OE2 2.9Å; R164-E200 IonicContact NE-OE1 3.79Å; R164-E200 PolarHBondContact NE-OE1 3.18Å; R164-E200 IonicContact NE-OE2 3.39Å; R164-E200 IonicContact NH2-OE1 3.39Å; R164-E200 PolarHBondContact NH2-OE1 3.16Å; R164-E200 IonicContact NH2-OE2 2.59Å; R164-E200 PolarHBondContact NH2-OE2 3.44Å
165	R	97.8	Very high	98	Very high	10 Å²	10	24.6 Å²	24.6	4%	0.038	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	20.6	175.5	-60.1	-49.3	-67.6	-97.9	9.1	114	L127 P128 R131 P133 P135 W151 D159 L161 P162	L127-R165 PolarHBondContact O-NH1 2.9Å; P128-R165 PolarHBondContact O-NH1 3Å; P128-R165 PolarHBondContact O-NH2 3.46Å; R131-R165 PolarHBondContact O-NH2 2.7Å; P133-R165 WeakPolarHBondContact CB-O 3.46Å; P133-R165 HydrophobicContact CG-CB 4.02Å; P133-R165 WeakPolarHBondContact CG-O 3.44Å; P135-R165 WeakPolarHBondContact CG-O 3.4Å; W151-R165 HydrophobicContact CH2-CB 3.96Å; W151-R165 HydrophobicContact CH2-CG 4.36Å; W151-R165 HydrophobicContact CZ2-CB 4.07Å; W151-R165 HydrophobicContact CZ2-CG 4Å; D159-R165 WeakPolarHBondContact O-CD 3.39Å; D159-R165 WeakPolarHBondContact O-CG 3.4Å; L161-R165 PolarHBondContact O-N 2.95Å; P162-R165 CarbonylContact O-C 3.52Å; P162-R165 PolarHBondContact O-N 3.46Å
166	G	97.8	Very high	97.9	Very high	6 Å²	6	24.6 Å²	24.6	6%	0.062	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.7	15.7	165.6	0	0	0	0	0	116.3	P135 Q139 T145 P162	P135-G166 CarbonylContact C-O 3.58Å; P135-G166 WeakPolarHBondContact CB-O 3.11Å; Q139-G166 PolarHBondContact NE2-O 2.86Å; Q139-G166 VanDerWaalsContact OE1-CA 3.28Å; Q139-G166 PolarHBondContact OE1-O 3.37Å; T145-G166 PolarHBondContact OG1-O 3.39Å; P162-G166 PolarHBondContact O-N 2.88Å
167	F	98.8	Very high	97.8	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.009	13%	0.132	C	C	.	.			trans	-98.8	120.6	170.1	-68.4	-74.7	0	0	0	111.6	I104 P135 T145 M147 W151 P162 T169 F233 Y235	I104-F167 HydrophobicContact CD1-CZ 4.4Å; P135-F167 HydrophobicContact CB-CD1 3.87Å; P135-F167 HydrophobicContact CB-CD2 4.33Å; P135-F167 HydrophobicContact CB-CE1 3.67Å; P135-F167 HydrophobicContact CB-CE2 4.16Å; P135-F167 HydrophobicContact CB-CG 4.21Å; P135-F167 HydrophobicContact CB-CZ 3.82Å; P135-F167 HydrophobicContact CG-CD1 4.42Å; P135-F167 HydrophobicContact CG-CD2 4.04Å; P135-F167 HydrophobicContact CG-CE1 4.08Å; P135-F167 HydrophobicContact CG-CE2 3.67Å; P135-F167 HydrophobicContact CG-CG 4.42Å; P135-F167 HydrophobicContact CG-CZ 3.68Å; T145-F167 WeakPolarHBondContact OG1-CA 3.08Å; M147-F167 HydrophobicContact CB-CB 4.36Å; M147-F167 HydrophobicContact CB-CD1 3.71Å; M147-F167 HydrophobicContact CB-CD2 3.84Å; M147-F167 HydrophobicContact CB-CE1 3.81Å; M147-F167 HydrophobicContact CB-CE2 3.93Å; M147-F167 HydrophobicContact CB-CG 3.72Å; M147-F167 HydrophobicContact CB-CZ 3.93Å; M147-F167 HydrophobicContact CG-CE2 4.42Å; M147-F167 HydrophobicContact CG-CZ 4.47Å; M147-F167 HydrophobicContact SD-CD2 4.27Å; M147-F167 HydrophobicContact SD-CE2 3.84Å; M147-F167 HydrophobicContact SD-CZ 4.29Å; W151-F167 HydrophobicContact CZ3-CE2 4.07Å; P162-F167 HydrophobicContact CB-CD2 3.93Å; P162-F167 PolarHBondContact O-N 2.99Å; P162-F167 VanDerWaalsContact O-N 3.14Å; F167-T169 PolarHBondContact O-N 2.78Å; F167-F233 AromaticContact CE1-CD1 3.96Å; F167-F233 HydrophobicContact CE1-CD1 3.96Å; F167-F233 AromaticContact CE1-CE1 3.61Å; F167-F233 HydrophobicContact CE1-CE1 3.61Å; F167-F233 HydrophobicContact CZ-CE1 4.07Å; F167-Y235 HydrophobicContact CE1-CD1 4.4Å; F167-Y235 HydrophobicContact CE2-CD1 4.32Å; F167-Y235 AromaticContact CZ-CD1 3.66Å; F167-Y235 HydrophobicContact CZ-CD1 3.66Å; F167-Y235 HydrophobicContact CZ-CG 4.22Å
168	D	98.7	Very high	97.9	Very high	69 Å²	69	25.9 Å²	25.9	37%	0.369	13%	0.129	S	C	.	.	S	Bend	trans	-55.4	-36.5	174.7	-53.2	-17.5	0	0	0	111.9	Q139 S144 T145	Q139-D168 PolarHBondContact NE2-OD1 2.85Å; S144-D168 WeakPolarHBondContact CA-OD2 3.44Å; S144-D168 WeakPolarHBondContact CB-OD2 3.45Å; S144-D168 PolarHBondContact OG-OD2 3.19Å; T145-D168 PolarHBondContact N-OD2 2.8Å; T145-D168 WeakPolarHBondContact O-CA 3.48Å; T145-D168 VanDerWaalsContact O-CB 3.27Å; T145-D168 WeakPolarHBondContact O-CB 3.41Å; T145-D168 PolarHBondContact O-N 3.25Å; T145-D168 PolarHBondContact OG1-N 3.49Å; T145-D168 PolarHBondContact OG1-OD1 2.88Å; T145-D168 VanDerWaalsContact OG1-OD1 3.04Å
169	T	98.9	Very high	98	Very high	40 Å²	40	23.3 Å²	23.3	25%	0.245	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	142	176.5	76.9	0	0	0	0	112.9	T145 H146 M147 F167	T145-T169 PolarHBondContact O-N 2.89Å; H146-T169 WeakPolarHBondContact CA-O 3.47Å; H146-T169 PolarHBondContact ND1-OG1 3.27Å; M147-T169 PolarHBondContact N-O 2.99Å; F167-T169 PolarHBondContact O-N 2.78Å
170	F	98.9	Very high	98.1	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.009	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	141	172.7	179.9	-127.2	0	0	0	111.5	M147 G149 W151 P162 T163 G172 L174 H197 E198 G199	M147-F170 HydrophobicContact CB-CD2 3.96Å; M147-F170 HydrophobicContact CE-CE2 4.11Å; M147-F170 HydrophobicContact CG-CD2 3.8Å; M147-F170 HydrophobicContact CG-CE2 3.95Å; M147-F170 WeakPolarHBondContact O-CA 3.48Å; M147-F170 HydrophobicContact SD-CD2 4.17Å; M147-F170 HydrophobicContact SD-CE2 4.01Å; G149-F170 VanDerWaalsContact O-CE2 3.31Å; G149-F170 WeakPolarHBondContact O-CE2 3.27Å; W151-F170 HydrophobicContact CB-CZ 4.46Å; P162-F170 HydrophobicContact CB-CB 4.15Å; P162-F170 HydrophobicContact CB-CD1 4.47Å; P162-F170 HydrophobicContact CB-CD2 3.9Å; P162-F170 HydrophobicContact CB-CE2 4.41Å; P162-F170 HydrophobicContact CB-CG 3.93Å; P162-F170 HydrophobicContact CG-CD1 4.04Å; P162-F170 HydrophobicContact CG-CD2 3.78Å; P162-F170 HydrophobicContact CG-CE1 4.06Å; P162-F170 HydrophobicContact CG-CE2 3.81Å; P162-F170 HydrophobicContact CG-CG 3.89Å; P162-F170 HydrophobicContact CG-CZ 3.95Å; T163-F170 HydrophobicContact CG2-CB 4.26Å; F170-G172 WeakPolarHBondContact CE1-O 3.23Å; F170-G172 WeakPolarHBondContact CZ-O 3.33Å; F170-L174 HydrophobicContact CE1-CD2 3.75Å; F170-L174 HydrophobicContact CE1-CG 4.49Å; F170-L174 HydrophobicContact CZ-CD2 4.12Å; F170-H197 HydrophobicContact CD1-CB 4.32Å; F170-H197 HydrophobicContact CE1-CB 4.08Å; F170-E198 WeakPolarHBondContact O-CA 3.19Å; F170-G199 PolarHBondContact O-N 2.65Å
171	L	98.9	Very high	98.1	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.021	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	113.4	157.3	178.4	75.8	0	0	0	109.1	M147 V148 G149 H197 E198 L214 R218	M147-L171 PolarHBondContact O-N 2.76Å; M147-L171 VanDerWaalsContact O-N 3.08Å; V148-L171 CarbonylContact C-O 3.6Å; V148-L171 VanDerWaalsContact CA-O 3.28Å; V148-L171 WeakPolarHBondContact CA-O 3.32Å; G149-L171 PolarHBondContact N-O 2.92Å; L171-H197 CarbonylContact C-O 3.49Å; L171-H197 VanDerWaalsContact CA-O 3.26Å; L171-H197 WeakPolarHBondContact CA-O 3.45Å; L171-E198 HydrophobicContact CD1-CB 3.81Å; L171-E198 HydrophobicContact CD1-CG 4.27Å; L171-L214 HydrophobicContact CD2-CD1 4.37Å; L171-L214 HydrophobicContact CD2-CD2 4.4Å; L171-L214 HydrophobicContact CD2-CG 4.15Å; L171-R218 HydrophobicContact CB-CG 3.97Å; L171-R218 HydrophobicContact CD2-CB 3.62Å; L171-R218 HydrophobicContact CD2-CG 3.55Å; L171-R218 HydrophobicContact CG-CG 4.4Å
172	G	98.6	Very high	98.1	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167	-170.6	-179.4	0	0	0	0	0	115.2	G149 F170 H197	G149-G172 WeakPolarHBondContact O-CA 3.38Å; F170-G172 WeakPolarHBondContact CE1-O 3.23Å; F170-G172 WeakPolarHBondContact CZ-O 3.33Å; G172-H197 PolarHBondContact N-O 3.44Å; G172-H197 PolarHBondContact O-N 2.93Å
173	S	98.7	Very high	98.1	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.127	C	C	.	.			trans	-95.8	144.8	179.3	52.2	0	0	0	0	111.9	W151 D195	W151-S173 PolarHBondContact N-O 3.44Å; S173-D195 WeakPolarHBondContact CA-O 3.37Å; S173-D195 WeakPolarHBondContact CA-OD1 3.21Å; S173-D195 VanDerWaalsContact CB-O 3.25Å; S173-D195 WeakPolarHBondContact CB-O 3.35Å; S173-D195 VanDerWaalsContact CB-OD2 3.3Å; S173-D195 WeakPolarHBondContact CB-OD2 3.17Å
174	L	98.7	Very high	98.1	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	14%	0.135	C	C	.	.	S	Bend	trans	-91	-31.6	-179.7	-61.7	176.4	0	0	0	112.6	W151 H152 F155 L161 P162 F170 D195 H197	W151-L174 HydrophobicContact CB-CD2 4.46Å; H152-L174 WeakPolarHBondContact CA-O 3.43Å; H152-L174 PolarHBondContact N-O 2.83Å; H152-L174 VanDerWaalsContact N-O 3.09Å; F155-L174 HydrophobicContact CB-CB 4.08Å; F155-L174 HydrophobicContact CB-CD1 3.99Å; F155-L174 HydrophobicContact CB-CD2 4.45Å; F155-L174 HydrophobicContact CB-CG 4.41Å; F155-L174 HydrophobicContact CD1-CB 3.66Å; F155-L174 HydrophobicContact CD2-CD1 4.4Å; F155-L174 HydrophobicContact CE1-CB 4.21Å; F155-L174 HydrophobicContact CG-CB 3.85Å; F155-L174 HydrophobicContact CG-CD1 4.17Å; L161-L174 HydrophobicContact CD2-CD1 3.78Å; L161-L174 HydrophobicContact CD2-CD2 3.83Å; L161-L174 HydrophobicContact CD2-CG 4.49Å; P162-L174 HydrophobicContact CG-CD2 4.5Å; F170-L174 HydrophobicContact CE1-CD2 3.75Å; F170-L174 HydrophobicContact CE1-CG 4.49Å; F170-L174 HydrophobicContact CZ-CD2 4.12Å; L174-D195 VanDerWaalsContact N-CG 3.31Å; L174-D195 PolarHBondContact N-OD1 3.13Å; L174-D195 PolarHBondContact N-OD2 2.83Å; L174-D195 VanDerWaalsContact N-OD2 3.1Å; L174-H197 WeakPolarHBondContact CD1-NE2 3.49Å
175	T	98.1	Very high	98	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	11%	0.112	C	C	.	.	S	Bend	trans	-82	-172.3	-178	71.5	0	0	0	0	113.2	P121 F155 N177 N185 D195 W524	P121-T175 HydrophobicContact CB-CG2 4.03Å; P121-T175 HydrophobicContact CG-CG2 3.92Å; F155-T175 HydrophobicContact CE1-CG2 3.83Å; F155-T175 HydrophobicContact CZ-CG2 3.87Å; T175-N177 PolarHBondContact OG1-O 3.1Å; T175-N185 HydrophobicContact CG2-CB 4.42Å; T175-D195 WeakPolarHBondContact CA-OD2 3.24Å; T175-D195 WeakPolarHBondContact CB-OD2 3.33Å; T175-D195 HydrophobicContact CG2-CB 4.35Å; T175-D195 VanDerWaalsContact CG2-OD2 3.24Å; T175-D195 WeakPolarHBondContact CG2-OD2 2.99Å; T175-D195 PolarHBondContact N-OD2 2.71Å; T175-D195 PolarHBondContact OG1-OD2 2.89Å; T175-W524 HydrophobicContact CG2-CB 4.15Å; T175-W524 HydrophobicContact CG2-CD2 4.23Å; T175-W524 HydrophobicContact CG2-CG 3.9Å
176	G	95.1	Very high	97.9	Very high	6 Å²	6	23.5 Å²	23.5	6%	0.062	13%	0.132	C	C	.	.	S	Bend	trans	-80.4	-20.5	-178.1	0	0	0	0	0	116.1	K150 H152	K150-G176 WeakPolarHBondContact CE-O 3.42Å; K150-G176 PolarHBondContact NZ-O 2.65Å; H152-G176 WeakPolarHBondContact CD2-CA 3.23Å; H152-G176 PolarHBondContact CD2-N 2.94Å; H152-G176 WeakPolarHBondContact NE2-CA 3.46Å
177	N	95.8	Very high	97.6	Very high	54 Å²	54	24.1 Å²	24.1	29%	0.289	13%	0.134	S	C	.	.			trans	-170	158	179.9	62	-91	0	0	0	110.2	T175 N185	T175-N177 PolarHBondContact OG1-O 3.1Å; N177-N185 WeakPolarHBondContact O-CB 3.31Å; N177-N185 PolarHBondContact O-ND2 3.34Å
178	V	97.9	Very high	97	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	15%	0.152	C	C	.	.			trans	-141.1	170.1	175.3	-66.2	0	0	0	0	111	Y183 D184 N185 D195 Q239 P244	V178-Y183 HydrophobicContact CG2-CD1 4.27Å; V178-D184 CarbonylContact C-O 3.57Å; V178-D184 WeakPolarHBondContact CA-O 3.27Å; V178-N185 HydrophobicContact CG1-CB 4.29Å; V178-D195 HydrophobicContact CG1-CB 3.77Å; V178-Q239 PolarHBondContact O-NE2 3.2Å; V178-P244 WeakPolarHBondContact O-CD 3.37Å
179	D	98.4	Very high	96.3	Very high	37 Å²	37	29.1 Å²	29.1	20%	0.198	18%	0.177	C	C	.	.			trans	-62.3	136	159.6	-172.4	-75.7	0	0	0	110	Y181 T182 Y183 D184 Q246	D179-Y181 PolarHBondContact O-N 2.87Å; D179-Y181 WeakPolarHBondContact OD1-CA 3.36Å; D179-Y181 PolarHBondContact OD1-N 3.01Å; D179-T182 WeakPolarHBondContact CB-OG1 3.36Å; D179-T182 PolarHBondContact OD1-N 2.89Å; D179-Y183 VanDerWaalsContact O-CA 3.3Å; D179-Y183 WeakPolarHBondContact O-CA 3.49Å; D179-Y183 PolarHBondContact O-N 3.26Å; D179-Y183 VanDerWaalsContact O-N 3.09Å; D179-D184 PolarHBondContact N-O 2.88Å; D179-Q246 PolarHBondContact OD2-NE2 3.35Å; D179-Q246 PolarHBondContact OD2-OE1 3.23Å
180	Y	98.6	Very high	95.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-10.5	-176	-83	-102.6	0	0	0	114.4	Y210 S211 Q239 A240 H242 P244 Q246 M269	Y180-Y210 HydrophobicContact CD1-CD2 4.18Å; Y180-Y210 AromaticContact CD1-CE2 3.43Å; Y180-Y210 HydrophobicContact CD1-CE2 3.43Å; Y180-Y210 VanDerWaalsContact CD1-CE2 3.43Å; Y180-Y210 AromaticContact CD1-CZ 3.73Å; Y180-Y210 HydrophobicContact CE1-CE2 4.38Å; Y180-Y210 HydrophobicContact CG-CD2 4.43Å; Y180-Y210 AromaticContact CG-CE2 3.76Å; Y180-Y210 HydrophobicContact CG-CE2 3.76Å; Y180-Y210 CarbonylContact O-C 3.25Å; Y180-Y210 WeakPolarHBondContact O-CA 3.24Å; Y180-S211 WeakPolarHBondContact CD1-OG 3.43Å; Y180-S211 PolarHBondContact O-N 2.94Å; Y180-Q239 HydrophobicContact CE1-CB 4.4Å; Y180-Q239 HydrophobicContact CE1-CG 4.22Å; Y180-Q239 HydrophobicContact CE2-CG 4.27Å; Y180-Q239 VanDerWaalsContact CE2-NE2 3.31Å; Y180-Q239 PolarHBondContact OH-O 2.82Å; Y180-A240 WeakPolarHBondContact OH-CA 3.44Å; Y180-H242 VanDerWaalsContact CE2-O 3.31Å; Y180-H242 WeakPolarHBondContact CE2-O 3.46Å; Y180-H242 PolarHBondContact OH-N 3.43Å; Y180-H242 PolarHBondContact OH-O 2.88Å; Y180-P244 HydrophobicContact CD2-CG 4.24Å; Y180-P244 WeakPolarHBondContact CD2-O 3.41Å; Y180-P244 WeakPolarHBondContact CE2-O 3.23Å; Y180-Q246 HydrophobicContact CD2-CB 4.01Å; Y180-Q246 HydrophobicContact CG-CB 4.24Å; Y180-M269 HydrophobicContact CE1-CE 4.23Å; Y180-M269 HydrophobicContact CE2-CE 3.65Å; Y180-M269 VanDerWaalsContact CZ-CE 3.45Å; Y180-M269 WeakPolarHBondContact OH-CE 3.3Å
181	Y	98.4	Very high	95.5	Very high	66 Å²	66	31.6 Å²	31.6	26%	0.259	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-41.3	-178.4	-63.9	-90.3	0	0	0	113	D179 Y183 G208 Y210 Q246 P248	D179-Y181 PolarHBondContact O-N 2.87Å; D179-Y181 WeakPolarHBondContact OD1-CA 3.36Å; D179-Y181 PolarHBondContact OD1-N 3.01Å; Y181-Y183 WeakPolarHBondContact O-CD2 3.24Å; Y181-Y183 WeakPolarHBondContact O-CE2 3.34Å; Y181-G208 PolarHBondContact O-N 3.15Å; Y181-Y210 HydrophobicContact CD1-CD2 4.39Å; Y181-Y210 HydrophobicContact CD2-CD2 4.26Å; Y181-Y210 AromaticContact CE1-CD2 3.83Å; Y181-Y210 HydrophobicContact CE1-CD2 3.83Å; Y181-Y210 HydrophobicContact CE1-CG 4.21Å; Y181-Y210 AromaticContact CE2-CD2 3.67Å; Y181-Y210 HydrophobicContact CE2-CD2 3.67Å; Y181-Y210 HydrophobicContact CE2-CE2 4.07Å; Y181-Y210 AromaticContact CZ-CD2 3.43Å; Y181-Y210 VanDerWaalsContact CZ-CD2 3.43Å; Y181-Q246 HydrophobicContact CE2-CB 4.32Å; Y181-P248 WeakPolarHBondContact OH-CA 3.5Å; Y181-P248 WeakPolarHBondContact OH-CD 3.23Å; Y181-P248 WeakPolarHBondContact OH-CG 3.35Å; Y181-P248 VanDerWaalsContact OH-N 3.14Å
182	T	98.1	Very high	95.4	Very high	58 Å²	58	34 Å²	34	36%	0.356	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-14.7	179.3	73.1	0	0	0	0	113.2	D179 D184 Y194	D179-T182 WeakPolarHBondContact CB-OG1 3.36Å; D179-T182 PolarHBondContact OD1-N 2.89Å; T182-D184 WeakPolarHBondContact CB-OD2 3.18Å; T182-D184 PolarHBondContact O-N 2.95Å; T182-D184 PolarHBondContact OG1-OD2 3.08Å; T182-Y194 VanDerWaalsContact O-CD2 3.25Å; T182-Y194 WeakPolarHBondContact O-CD2 3.41Å; T182-Y194 WeakPolarHBondContact O-CE2 3.32Å
183	Y	98.3	Very high	95.3	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	23%	0.225	C	C	.	.			trans	62	15.8	-177.1	-51.3	-85.5	0	0	0	115.3	V178 D179 Y181 Y194 D195 L196 Q206 K209 L214	V178-Y183 HydrophobicContact CG2-CD1 4.27Å; D179-Y183 VanDerWaalsContact O-CA 3.3Å; D179-Y183 WeakPolarHBondContact O-CA 3.49Å; D179-Y183 PolarHBondContact O-N 3.26Å; D179-Y183 VanDerWaalsContact O-N 3.09Å; Y181-Y183 WeakPolarHBondContact O-CD2 3.24Å; Y181-Y183 WeakPolarHBondContact O-CE2 3.34Å; Y183-Y194 HydrophobicContact CD2-CE2 4.24Å; Y183-Y194 HydrophobicContact CG-CE2 4.48Å; Y183-D195 PolarHBondContact O-N 2.91Å; Y183-L196 HydrophobicContact CD1-CB 3.91Å; Y183-L196 HydrophobicContact CD1-CD1 3.77Å; Y183-L196 HydrophobicContact CD1-CD2 3.98Å; Y183-L196 HydrophobicContact CD1-CG 4.09Å; Y183-L196 HydrophobicContact CD2-CD2 4.19Å; Y183-L196 HydrophobicContact CE1-CD1 3.88Å; Y183-L196 HydrophobicContact CE1-CD2 3.9Å; Y183-L196 HydrophobicContact CE1-CG 4.36Å; Y183-L196 HydrophobicContact CE2-CD2 4.14Å; Y183-L196 HydrophobicContact CG-CB 3.84Å; Y183-L196 HydrophobicContact CG-CD2 4.12Å; Y183-L196 HydrophobicContact CG-CG 4.38Å; Y183-Q206 HydrophobicContact CE2-CB 4.25Å; Y183-Q206 WeakPolarHBondContact CE2-O 3.37Å; Y183-K209 PolarHBondContact OH-O 2.88Å; Y183-L214 HydrophobicContact CE1-CD2 4.39Å; Y183-L214 WeakPolarHBondContact OH-CD2 3.28Å
184	D	97.4	Very high	95.3	Very high	72 Å²	72	34.5 Å²	34.5	39%	0.385	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	136.9	176.1	-60.8	-56.6	0	0	0	111.7	V178 D179 T182	V178-D184 CarbonylContact C-O 3.57Å; V178-D184 WeakPolarHBondContact CA-O 3.27Å; D179-D184 PolarHBondContact N-O 2.88Å; T182-D184 WeakPolarHBondContact CB-OD2 3.18Å; T182-D184 PolarHBondContact O-N 2.95Å; T182-D184 PolarHBondContact OG1-OD2 3.08Å
185	N	96.7	Very high	95.3	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	136.3	165.6	174.5	-88.9	0	0	0	110	T175 N177 V178 C192 G193 D195 W524	T175-N185 HydrophobicContact CG2-CB 4.42Å; N177-N185 WeakPolarHBondContact O-CB 3.31Å; N177-N185 PolarHBondContact O-ND2 3.34Å; V178-N185 HydrophobicContact CG1-CB 4.29Å; N185-C192 CarbonylContact O-C 3.52Å; N185-C192 WeakPolarHBondContact O-CA 3.23Å; N185-G193 PolarHBondContact N-O 2.69Å; N185-G193 PolarHBondContact O-N 2.77Å; N185-D195 HydrophobicContact CB-CB 4.47Å; N185-W524 PolarHBondContact O-NE1 2.75Å
186	C	94.4	Very high	95.4	Very high	70 Å²	70	34.3 Å²	34.3	47%	0.473	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	126.7	169.8	-58.8	0	0	0	0	110.9	V191 C192	C186-V191 CarbonylContact C-O 3.45Å; C186-V191 VanDerWaalsContact CA-O 3.22Å; C186-V191 WeakPolarHBondContact CA-O 3.36Å; C186-C192 HydrophobicContact CB-CB 4.09Å; C186-C192 WeakPolarHBondContact CB-SG 3.31Å; C186-C192 WeakPolarHBondContact SG-CB 3.42Å; C186-C192 CovalentContact SG-SG 2.04Å; C186-C192 PolarHBondContact SG-SG 3.25Å
187	D	91.6	Very high	95.5	Very high	19 Å²	19	34.4 Å²	34.4	10%	0.102	22%	0.224	C	C	.	.	S	Bend	trans	-106.1	51.8	177.4	-168.8	47.3	0	0	0	110.6	P121 R122 V191 W524	P121-D187 HydrophobicContact CB-CB 4.17Å; P121-D187 HydrophobicContact CG-CB 4.01Å; R122-D187 IonicContact CZ-OD2 2.67Å; R122-D187 IonicContact NE-OD2 3.39Å; R122-D187 PolarHBondContact NE-OD2 3.33Å; R122-D187 PolarHBondContact NH2-O 3.46Å; R122-D187 IonicContact NH2-OD2 3.18Å; R122-D187 PolarHBondContact NH2-OD2 2.87Å; D187-V191 HydrophobicContact CB-CG1 4.43Å; D187-V191 PolarHBondContact N-O 3.45Å; D187-W524 HydrophobicContact CB-CH2 3.91Å; D187-W524 HydrophobicContact CB-CZ2 3.98Å
188	G	86.8	Confident	95.7	Very high	37 Å²	37	35.7 Å²	35.7	38%	0.381	23%	0.228	S	C	.	.	S	Bend	trans	113.6	174.4	-176	0	0	0	0	0	113.8	G190 V191	G188-G190 PolarHBondContact O-N 3.49Å; G188-V191 PolarHBondContact O-N 2.76Å
189	P	84.9	Confident	95.7	Very high	138 Å²	138	36.9 Å²	36.9	90%	0.896	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	126.4	-178.9	-22	34.1	0	0	0	112.2	V191	P189-V191 PolarHBondContact O-N 3.17Å
190	G	86.5	Confident	95.6	Very high	69 Å²	69	38.8 Å²	38.8	71%	0.711	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.1	-11.8	178.7	0	0	0	0	0	115.6	G188 C192	G188-G190 PolarHBondContact O-N 3.49Å; G190-C192 PolarHBondContact O-N 3.05Å
191	V	94.3	Very high	95.6	Very high	26 Å²	26	46.9 Å²	46.9	16%	0.158	28%	0.284	C	S	.	.			trans	-99.5	79.3	179.6	-176.1	0	0	0	0	109	C186 D187 G188 P189 W524	C186-V191 CarbonylContact C-O 3.45Å; C186-V191 VanDerWaalsContact CA-O 3.22Å; C186-V191 WeakPolarHBondContact CA-O 3.36Å; D187-V191 HydrophobicContact CB-CG1 4.43Å; D187-V191 PolarHBondContact N-O 3.45Å; G188-V191 PolarHBondContact O-N 2.76Å; P189-V191 PolarHBondContact O-N 3.17Å; V191-W524 HydrophobicContact CG1-CH2 3.82Å; V191-W524 HydrophobicContact CG1-CZ2 4.18Å
192	C	96.3	Very high	95.6	Very high	54 Å²	54	45.6 Å²	45.6	37%	0.365	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	150.1	-177.7	-60.8	0	0	0	0	111.5	N185 C186 G190	N185-C192 CarbonylContact O-C 3.52Å; N185-C192 WeakPolarHBondContact O-CA 3.23Å; C186-C192 HydrophobicContact CB-CB 4.09Å; C186-C192 WeakPolarHBondContact CB-SG 3.31Å; C186-C192 WeakPolarHBondContact SG-CB 3.42Å; C186-C192 CovalentContact SG-SG 2.04Å; C186-C192 PolarHBondContact SG-SG 3.25Å; G190-C192 PolarHBondContact O-N 3.05Å
193	G	97.4	Very high	95.6	Very high	5 Å²	5	43.1 Å²	43.1	5%	0.052	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	160	175.1	0	0	0	0	0	112.8	N185 G522 W524	N185-G193 PolarHBondContact N-O 2.69Å; N185-G193 PolarHBondContact O-N 2.77Å; G193-G522 CarbonylContact C-O 3.51Å; G193-G522 VanDerWaalsContact CA-O 3.24Å; G193-G522 WeakPolarHBondContact CA-O 3.37Å; G193-W524 PolarHBondContact O-NE1 3.26Å
194	Y	98.4	Very high	95.5	Very high	5 Å²	5	49.6 Å²	49.6	2%	0.02	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	137.5	179.1	-170.6	-91.2	0	0	0	111.6	T182 Y183 L196 V202 A203 W204 S207 G522 A523 W524	T182-Y194 VanDerWaalsContact O-CD2 3.25Å; T182-Y194 WeakPolarHBondContact O-CD2 3.41Å; T182-Y194 WeakPolarHBondContact O-CE2 3.32Å; Y183-Y194 HydrophobicContact CD2-CE2 4.24Å; Y183-Y194 HydrophobicContact CG-CE2 4.48Å; Y194-L196 HydrophobicContact CE1-CB 3.72Å; Y194-V202 HydrophobicContact CD1-CG1 3.39Å; Y194-V202 HydrophobicContact CE1-CG1 3.7Å; Y194-V202 HydrophobicContact CG-CG1 4.49Å; Y194-A203 PolarHBondContact OH-O 2.67Å; Y194-W204 VanDerWaalsContact CB-CZ3 3.4Å; Y194-W204 HydrophobicContact CD1-CD2 4.39Å; Y194-W204 AromaticContact CD1-CE3 3.9Å; Y194-W204 HydrophobicContact CD1-CE3 3.9Å; Y194-W204 AromaticContact CD1-CZ3 3.98Å; Y194-W204 HydrophobicContact CD1-CZ3 3.98Å; Y194-W204 AromaticContact CD2-CE3 3.92Å; Y194-W204 HydrophobicContact CD2-CE3 3.92Å; Y194-W204 AromaticContact CD2-CZ3 3.87Å; Y194-W204 HydrophobicContact CD2-CZ3 3.87Å; Y194-W204 HydrophobicContact CE1-CE3 4.2Å; Y194-W204 HydrophobicContact CE2-CE3 4.2Å; Y194-W204 AromaticContact CG-CE3 3.74Å; Y194-W204 HydrophobicContact CG-CE3 3.74Å; Y194-W204 HydrophobicContact CG-CH2 4.21Å; Y194-W204 AromaticContact CG-CZ3 3.49Å; Y194-W204 HydrophobicContact CG-CZ3 3.49Å; Y194-W204 VanDerWaalsContact CG-CZ3 3.49Å; Y194-S207 WeakPolarHBondContact CE2-OG 3.49Å; Y194-S207 PolarHBondContact OH-OG 3.37Å; Y194-G522 PolarHBondContact N-O 2.92Å; Y194-A523 CarbonylContact O-C 3.29Å; Y194-A523 VanDerWaalsContact O-CA 3.23Å; Y194-A523 WeakPolarHBondContact O-CA 3.07Å; Y194-A523 WeakPolarHBondContact O-CB 3.07Å; Y194-W524 PolarHBondContact O-N 3.19Å
195	D	98.5	Very high	95.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.303	C	S	.	.			trans	-138.6	72.8	179.7	178.8	27.8	0	0	0	111.8	S173 L174 T175 V178 Y183 N185 H197 W524	S173-D195 WeakPolarHBondContact CA-O 3.37Å; S173-D195 WeakPolarHBondContact CA-OD1 3.21Å; S173-D195 VanDerWaalsContact CB-O 3.25Å; S173-D195 WeakPolarHBondContact CB-O 3.35Å; S173-D195 VanDerWaalsContact CB-OD2 3.3Å; S173-D195 WeakPolarHBondContact CB-OD2 3.17Å; L174-D195 VanDerWaalsContact N-CG 3.31Å; L174-D195 PolarHBondContact N-OD1 3.13Å; L174-D195 PolarHBondContact N-OD2 2.83Å; L174-D195 VanDerWaalsContact N-OD2 3.1Å; T175-D195 WeakPolarHBondContact CA-OD2 3.24Å; T175-D195 WeakPolarHBondContact CB-OD2 3.33Å; T175-D195 HydrophobicContact CG2-CB 4.35Å; T175-D195 VanDerWaalsContact CG2-OD2 3.24Å; T175-D195 WeakPolarHBondContact CG2-OD2 2.99Å; T175-D195 PolarHBondContact N-OD2 2.71Å; T175-D195 PolarHBondContact OG1-OD2 2.89Å; V178-D195 HydrophobicContact CG1-CB 3.77Å; Y183-D195 PolarHBondContact O-N 2.91Å; N185-D195 HydrophobicContact CB-CB 4.47Å; D195-H197 IonicContact OD1-CD2 3.8Å; D195-H197 IonicContact OD1-NE2 2.8Å; D195-W524 HydrophobicContact CB-CB 4.27Å; D195-W524 HydrophobicContact CB-CG 4.45Å
196	L	98.7	Very high	95.5	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.306	C	S	.	.			trans	-140.3	131.5	160.7	-170.4	79.3	0	0	0	109.7	Y183 Y194 A203 Q206 L214 Y215	Y183-L196 HydrophobicContact CD1-CB 3.91Å; Y183-L196 HydrophobicContact CD1-CD1 3.77Å; Y183-L196 HydrophobicContact CD1-CD2 3.98Å; Y183-L196 HydrophobicContact CD1-CG 4.09Å; Y183-L196 HydrophobicContact CD2-CD2 4.19Å; Y183-L196 HydrophobicContact CE1-CD1 3.88Å; Y183-L196 HydrophobicContact CE1-CD2 3.9Å; Y183-L196 HydrophobicContact CE1-CG 4.36Å; Y183-L196 HydrophobicContact CE2-CD2 4.14Å; Y183-L196 HydrophobicContact CG-CB 3.84Å; Y183-L196 HydrophobicContact CG-CD2 4.12Å; Y183-L196 HydrophobicContact CG-CG 4.38Å; Y194-L196 HydrophobicContact CE1-CB 3.72Å; L196-A203 HydrophobicContact CD2-CB 4.1Å; L196-A203 HydrophobicContact CG-CB 4.23Å; L196-A203 PolarHBondContact O-N 3.26Å; L196-Q206 HydrophobicContact CD2-CB 3.43Å; L196-Q206 VanDerWaalsContact CD2-CB 3.43Å; L196-Q206 HydrophobicContact CD2-CG 3.66Å; L196-L214 HydrophobicContact CD2-CD2 3.95Å; L196-Y215 HydrophobicContact CD1-CE1 4.11Å
197	H	98.8	Very high	95.5	Very high	8 Å²	8	51.6 Å²	51.6	4%	0.037	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	144.2	-176.2	-59.7	-102.1	0	0	0	111.5	F170 L171 G172 L174 D195 K201 W524	F170-H197 HydrophobicContact CD1-CB 4.32Å; F170-H197 HydrophobicContact CE1-CB 4.08Å; L171-H197 CarbonylContact C-O 3.49Å; L171-H197 VanDerWaalsContact CA-O 3.26Å; L171-H197 WeakPolarHBondContact CA-O 3.45Å; G172-H197 PolarHBondContact N-O 3.44Å; G172-H197 PolarHBondContact O-N 2.93Å; L174-H197 WeakPolarHBondContact CD1-NE2 3.49Å; D195-H197 IonicContact OD1-CD2 3.8Å; D195-H197 IonicContact OD1-NE2 2.8Å; H197-K201 CarbonylContact C-O 3.55Å; H197-K201 WeakPolarHBondContact CA-O 3.39Å; H197-K201 WeakPolarHBondContact CB-O 3.25Å; H197-W524 PolarHBondContact CE1-O 3.15Å; H197-W524 PolarHBondContact NE2-O 2.85Å
198	E	98.5	Very high	95.7	Very high	80 Å²	80	53.5 Å²	53.5	37%	0.374	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116.8	163.8	-176.5	150.5	-116.7	0	0	109.1	F170 L171 E200 K201 A203 R218	F170-E198 WeakPolarHBondContact O-CA 3.19Å; L171-E198 HydrophobicContact CD1-CB 3.81Å; L171-E198 HydrophobicContact CD1-CG 4.27Å; E198-E200 PolarHBondContact O-N 3.2Å; E198-K201 PolarHBondContact N-O 3.09Å; E198-K201 PolarHBondContact O-N 2.79Å; E198-K201 VanDerWaalsContact O-N 3.16Å; E198-A203 HydrophobicContact CB-CB 4.3Å; E198-R218 IonicContact OE1-CZ 2.77Å; E198-R218 IonicContact OE1-NE 3.59Å; E198-R218 PolarHBondContact OE1-NE 3.41Å; E198-R218 IonicContact OE1-NH2 3.39Å; E198-R218 PolarHBondContact OE1-NH2 2.66Å
199	G	98.3	Very high	96.2	Very high	26 Å²	26	55.7 Å²	55.7	27%	0.268	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.7	-118.5	-162	0	0	0	0	0	110.5	F170	F170-G199 PolarHBondContact O-N 2.65Å
200	E	97.9	Very high	96.9	Very high	78 Å²	78	49.7 Å²	49.7	36%	0.364	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107	6.8	179.2	-56.2	-174.3	166.7	0	0	112.6	L161 T163 R164 E198	L161-E200 HydrophobicContact CD1-CB 4.43Å; L161-E200 HydrophobicContact CD1-CG 4.04Å; T163-E200 WeakPolarHBondContact CB-OE1 3.4Å; T163-E200 HydrophobicContact CG2-CG 4.07Å; T163-E200 WeakPolarHBondContact OG1-CG 3.39Å; T163-E200 PolarHBondContact OG1-OE1 3.23Å; R164-E200 IonicContact CZ-OE1 3.73Å; R164-E200 IonicContact CZ-OE2 2.9Å; R164-E200 IonicContact NE-OE1 3.79Å; R164-E200 PolarHBondContact NE-OE1 3.18Å; R164-E200 IonicContact NE-OE2 3.39Å; R164-E200 IonicContact NH2-OE1 3.39Å; R164-E200 PolarHBondContact NH2-OE1 3.16Å; R164-E200 IonicContact NH2-OE2 2.59Å; R164-E200 PolarHBondContact NH2-OE2 3.44Å; E198-E200 PolarHBondContact O-N 3.2Å
201	K	98	Very high	97.5	Very high	169 Å²	169	46.4 Å²	46.4	74%	0.735	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.7	-179	-65.4	-178	179.2	-179.6	0	111.2	H197 E198	H197-K201 CarbonylContact C-O 3.55Å; H197-K201 WeakPolarHBondContact CA-O 3.39Å; H197-K201 WeakPolarHBondContact CB-O 3.25Å; E198-K201 PolarHBondContact N-O 3.09Å; E198-K201 PolarHBondContact O-N 2.79Å; E198-K201 VanDerWaalsContact O-N 3.16Å
202	V	98.4	Very high	97.7	Very high	40 Å²	40	45.2 Å²	45.2	24%	0.242	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131.5	173.3	-170.4	0	0	0	0	110.2	Y194 W204 A523	Y194-V202 HydrophobicContact CD1-CG1 3.39Å; Y194-V202 HydrophobicContact CE1-CG1 3.7Å; Y194-V202 HydrophobicContact CG-CG1 4.49Å; V202-W204 HydrophobicContact CB-CZ2 4.45Å; V202-W204 HydrophobicContact CG1-CD2 3.8Å; V202-W204 VanDerWaalsContact CG1-CE2 3.45Å; V202-W204 HydrophobicContact CG1-CE3 4.41Å; V202-W204 HydrophobicContact CG1-CG 4.14Å; V202-W204 HydrophobicContact CG1-CH2 4.43Å; V202-W204 HydrophobicContact CG1-CZ2 3.81Å; V202-W204 PolarHBondContact O-N 3.44Å; V202-A523 HydrophobicContact CB-CB 4.48Å; V202-A523 HydrophobicContact CG1-CB 3.93Å; V202-A523 HydrophobicContact CG2-CB 3.71Å
203	A	98	Very high	97.8	Very high	6 Å²	6	45.3 Å²	45.3	5%	0.05	24%	0.238	C	C	.	.			trans	-101.5	49.6	-167.3	0	0	0	0	0	113.4	Y194 L196 E198 D205 Q206	Y194-A203 PolarHBondContact OH-O 2.67Å; L196-A203 HydrophobicContact CD2-CB 4.1Å; L196-A203 HydrophobicContact CG-CB 4.23Å; L196-A203 PolarHBondContact O-N 3.26Å; E198-A203 HydrophobicContact CB-CB 4.3Å; A203-D205 PolarHBondContact O-N 2.78Å; A203-Q206 HydrophobicContact CB-CG 4.09Å; A203-Q206 WeakPolarHBondContact O-CG 3.37Å; A203-Q206 PolarHBondContact O-N 3.01Å
204	W	96.8	Very high	97.9	Very high	135 Å²	135	45.6 Å²	45.6	51%	0.511	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-49.8	-25.9	-173.5	-57.7	105.3	0	0	0	115.9	Y194 V202 Q206 S207 A523	Y194-W204 VanDerWaalsContact CB-CZ3 3.4Å; Y194-W204 HydrophobicContact CD1-CD2 4.39Å; Y194-W204 AromaticContact CD1-CE3 3.9Å; Y194-W204 HydrophobicContact CD1-CE3 3.9Å; Y194-W204 AromaticContact CD1-CZ3 3.98Å; Y194-W204 HydrophobicContact CD1-CZ3 3.98Å; Y194-W204 AromaticContact CD2-CE3 3.92Å; Y194-W204 HydrophobicContact CD2-CE3 3.92Å; Y194-W204 AromaticContact CD2-CZ3 3.87Å; Y194-W204 HydrophobicContact CD2-CZ3 3.87Å; Y194-W204 HydrophobicContact CE1-CE3 4.2Å; Y194-W204 HydrophobicContact CE2-CE3 4.2Å; Y194-W204 AromaticContact CG-CE3 3.74Å; Y194-W204 HydrophobicContact CG-CE3 3.74Å; Y194-W204 HydrophobicContact CG-CH2 4.21Å; Y194-W204 AromaticContact CG-CZ3 3.49Å; Y194-W204 HydrophobicContact CG-CZ3 3.49Å; Y194-W204 VanDerWaalsContact CG-CZ3 3.49Å; V202-W204 HydrophobicContact CB-CZ2 4.45Å; V202-W204 HydrophobicContact CG1-CD2 3.8Å; V202-W204 VanDerWaalsContact CG1-CE2 3.45Å; V202-W204 HydrophobicContact CG1-CE3 4.41Å; V202-W204 HydrophobicContact CG1-CG 4.14Å; V202-W204 HydrophobicContact CG1-CH2 4.43Å; V202-W204 HydrophobicContact CG1-CZ2 3.81Å; V202-W204 PolarHBondContact O-N 3.44Å; W204-Q206 PolarHBondContact O-N 3.4Å; W204-S207 PolarHBondContact O-OG 2.79Å; W204-S207 VanDerWaalsContact O-OG 3.11Å; W204-A523 HydrophobicContact CH2-CB 4.09Å; W204-A523 HydrophobicContact CZ2-CB 4Å
205	D	96.5	Very high	97.9	Very high	112 Å²	112	45.3 Å²	45.3	60%	0.599	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-76	-4.6	-179.2	80.2	-59.3	0	0	0	113.8	A203 K209	A203-D205 PolarHBondContact O-N 2.78Å; D205-K209 PolarHBondContact O-NZ 3.09Å
206	Q	96.6	Very high	97.9	Very high	20 Å²	20	45.5 Å²	45.5	9%	0.093	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-87.2	-13.3	177.9	-52.6	-47.6	-39.6	0	0	114.4	Y183 L196 A203 W204 K209 L214	Y183-Q206 HydrophobicContact CE2-CB 4.25Å; Y183-Q206 WeakPolarHBondContact CE2-O 3.37Å; L196-Q206 HydrophobicContact CD2-CB 3.43Å; L196-Q206 VanDerWaalsContact CD2-CB 3.43Å; L196-Q206 HydrophobicContact CD2-CG 3.66Å; A203-Q206 HydrophobicContact CB-CG 4.09Å; A203-Q206 WeakPolarHBondContact O-CG 3.37Å; A203-Q206 PolarHBondContact O-N 3.01Å; W204-Q206 PolarHBondContact O-N 3.4Å; Q206-K209 HydrophobicContact CB-CD 4.38Å; Q206-K209 VanDerWaalsContact O-CB 3.24Å; Q206-K209 WeakPolarHBondContact O-CB 3.13Å; Q206-K209 WeakPolarHBondContact O-CD 3.45Å; Q206-K209 VanDerWaalsContact O-CG 3.26Å; Q206-K209 WeakPolarHBondContact O-CG 3.23Å; Q206-K209 PolarHBondContact O-N 3.38Å; Q206-L214 HydrophobicContact CB-CD2 3.86Å; Q206-L214 HydrophobicContact CG-CD2 4.09Å
207	S	94.6	Very high	97.9	Very high	57 Å²	57	50.3 Å²	50.3	40%	0.399	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.1	139.7	-177.8	-54.5	0	0	0	0	113.2	Y194 W204 K209	Y194-S207 WeakPolarHBondContact CE2-OG 3.49Å; Y194-S207 PolarHBondContact OH-OG 3.37Å; W204-S207 PolarHBondContact O-OG 2.79Å; W204-S207 VanDerWaalsContact O-OG 3.11Å; S207-K209 VanDerWaalsContact C-N 3.32Å
208	G	96.1	Very high	97.9	Very high	58 Å²	58	52.2 Å²	52.2	60%	0.598	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-11.1	-174.4	0	0	0	0	0	114.9	Y181	Y181-G208 PolarHBondContact O-N 3.15Å
209	K	97.8	Very high	97.9	Very high	84 Å²	84	48.4 Å²	48.4	37%	0.365	25%	0.25	S	S	.	.	S	Bend	trans	-84.4	142.2	173.2	-58.7	163.8	-169.1	153.6	0	109	Y183 D205 Q206 S207 S211 L214	Y183-K209 PolarHBondContact OH-O 2.88Å; D205-K209 PolarHBondContact O-NZ 3.09Å; Q206-K209 HydrophobicContact CB-CD 4.38Å; Q206-K209 VanDerWaalsContact O-CB 3.24Å; Q206-K209 WeakPolarHBondContact O-CB 3.13Å; Q206-K209 WeakPolarHBondContact O-CD 3.45Å; Q206-K209 VanDerWaalsContact O-CG 3.26Å; Q206-K209 WeakPolarHBondContact O-CG 3.23Å; Q206-K209 PolarHBondContact O-N 3.38Å; S207-K209 VanDerWaalsContact C-N 3.32Å; K209-S211 PolarHBondContact O-N 3.3Å; K209-L214 HydrophobicContact CD-CD1 4.3Å
210	Y	98.6	Very high	97.9	Very high	12 Å²	12	48.5 Å²	48.5	5%	0.047	25%	0.247	C	C	.	.			trans	-76.7	121.1	177.4	-173.3	-121.9	0	0	0	110.6	Y180 Y181 T212 F213 L214 Q246 P248 C272	Y180-Y210 HydrophobicContact CD1-CD2 4.18Å; Y180-Y210 AromaticContact CD1-CE2 3.43Å; Y180-Y210 HydrophobicContact CD1-CE2 3.43Å; Y180-Y210 VanDerWaalsContact CD1-CE2 3.43Å; Y180-Y210 AromaticContact CD1-CZ 3.73Å; Y180-Y210 HydrophobicContact CE1-CE2 4.38Å; Y180-Y210 HydrophobicContact CG-CD2 4.43Å; Y180-Y210 AromaticContact CG-CE2 3.76Å; Y180-Y210 HydrophobicContact CG-CE2 3.76Å; Y180-Y210 CarbonylContact O-C 3.25Å; Y180-Y210 WeakPolarHBondContact O-CA 3.24Å; Y181-Y210 HydrophobicContact CD1-CD2 4.39Å; Y181-Y210 HydrophobicContact CD2-CD2 4.26Å; Y181-Y210 AromaticContact CE1-CD2 3.83Å; Y181-Y210 HydrophobicContact CE1-CD2 3.83Å; Y181-Y210 HydrophobicContact CE1-CG 4.21Å; Y181-Y210 AromaticContact CE2-CD2 3.67Å; Y181-Y210 HydrophobicContact CE2-CD2 3.67Å; Y181-Y210 HydrophobicContact CE2-CE2 4.07Å; Y181-Y210 AromaticContact CZ-CD2 3.43Å; Y181-Y210 VanDerWaalsContact CZ-CD2 3.43Å; Y210-T212 VanDerWaalsContact C-N 3.34Å; Y210-T212 HydrophobicContact CE1-CG2 4.49Å; Y210-T212 WeakPolarHBondContact CE1-OG1 3.25Å; Y210-T212 PolarHBondContact O-N 2.87Å; Y210-F213 AromaticContact CD1-CD2 3.78Å; Y210-F213 HydrophobicContact CD1-CD2 3.78Å; Y210-F213 HydrophobicContact CD1-CE2 4.03Å; Y210-F213 HydrophobicContact CD1-CG 4.15Å; Y210-F213 PolarHBondContact O-N 3.44Å; Y210-L214 PolarHBondContact O-N 3.37Å; Y210-Q246 VanDerWaalsContact CE2-O 3.28Å; Y210-Q246 WeakPolarHBondContact CE2-O 3.41Å; Y210-Q246 PolarHBondContact OH-O 2.91Å; Y210-P248 HydrophobicContact CD1-CG 4.1Å; Y210-P248 HydrophobicContact CE1-CG 4.41Å; Y210-P248 HydrophobicContact CG-CG 4.2Å; Y210-C272 HydrophobicContact CE1-CB 3.81Å
211	S	98.5	Very high	98	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-51.4	-46.7	-169.4	72.1	0	0	0	0	113.7	Y180 K209 F213 L214 Y215 Q239	Y180-S211 WeakPolarHBondContact CD1-OG 3.43Å; Y180-S211 PolarHBondContact O-N 2.94Å; K209-S211 PolarHBondContact O-N 3.3Å; S211-F213 VanDerWaalsContact C-N 3.3Å; S211-F213 PolarHBondContact O-N 3.22Å; S211-L214 PolarHBondContact O-N 2.93Å; S211-Y215 WeakPolarHBondContact O-CB 3.41Å; S211-Y215 VanDerWaalsContact O-CD2 3.3Å; S211-Y215 WeakPolarHBondContact O-CD2 3.37Å; S211-Y215 PolarHBondContact O-N 3.41Å; S211-Q239 PolarHBondContact OG-OE1 2.95Å
212	T	98.8	Very high	98	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-54.7	-40.2	177.1	-46.4	0	0	0	0	113.3	Y210 A216 F238 A240 C272 M273 A276	Y210-T212 VanDerWaalsContact C-N 3.34Å; Y210-T212 HydrophobicContact CE1-CG2 4.49Å; Y210-T212 WeakPolarHBondContact CE1-OG1 3.25Å; Y210-T212 PolarHBondContact O-N 2.87Å; T212-A216 PolarHBondContact O-N 2.83Å; T212-F238 HydrophobicContact CG2-CD1 4.09Å; T212-F238 HydrophobicContact CG2-CE1 4.04Å; T212-A240 HydrophobicContact CG2-CB 4.02Å; T212-C272 HydrophobicContact CG2-CB 4.49Å; T212-M273 HydrophobicContact CG2-CB 4.17Å; T212-A276 HydrophobicContact CG2-CB 3.91Å
213	F	98.8	Very high	98.1	Very high	56 Å²	56	40.6 Å²	40.6	25%	0.246	21%	0.208	C	C	.	.	H	α-helix	trans	-85	-32.1	179.1	-63.6	-32.2	0	0	0	112.8	Y210 S211 Y215 A216 Q217 P248 Y251 C272 E275	Y210-F213 AromaticContact CD1-CD2 3.78Å; Y210-F213 HydrophobicContact CD1-CD2 3.78Å; Y210-F213 HydrophobicContact CD1-CE2 4.03Å; Y210-F213 HydrophobicContact CD1-CG 4.15Å; Y210-F213 PolarHBondContact O-N 3.44Å; S211-F213 VanDerWaalsContact C-N 3.3Å; S211-F213 PolarHBondContact O-N 3.22Å; F213-Y215 VanDerWaalsContact C-N 3.3Å; F213-Y215 PolarHBondContact O-N 3.23Å; F213-A216 PolarHBondContact O-N 2.91Å; F213-Q217 WeakPolarHBondContact O-CB 3.49Å; F213-Q217 PolarHBondContact O-N 3.11Å; F213-P248 HydrophobicContact CE2-CG 4.14Å; F213-Y251 HydrophobicContact CE2-CE2 4.25Å; F213-Y251 HydrophobicContact CZ-CE1 4.45Å; F213-Y251 HydrophobicContact CZ-CE2 4.1Å; F213-Y251 AromaticContact CZ-CZ 3.76Å; F213-Y251 WeakPolarHBondContact CZ-OH 3.4Å; F213-C272 HydrophobicContact CE1-CB 3.96Å; F213-C272 VanDerWaalsContact CE1-O 3.3Å; F213-C272 WeakPolarHBondContact CE1-O 3.11Å; F213-C272 HydrophobicContact CZ-CB 3.76Å; F213-E275 HydrophobicContact CE1-CB 4.41Å; F213-E275 HydrophobicContact CE1-CG 4.2Å
214	L	98.8	Very high	98.1	Very high	11 Å²	11	42.8 Å²	42.8	6%	0.058	23%	0.227	C	C	.	.	H	α-helix	trans	-57.5	-45.7	169.4	175.7	64.1	0	0	0	110.6	L171 Y183 L196 Q206 K209 Y210 S211 Q217 R218	L171-L214 HydrophobicContact CD2-CD1 4.37Å; L171-L214 HydrophobicContact CD2-CD2 4.4Å; L171-L214 HydrophobicContact CD2-CG 4.15Å; Y183-L214 HydrophobicContact CE1-CD2 4.39Å; Y183-L214 WeakPolarHBondContact OH-CD2 3.28Å; L196-L214 HydrophobicContact CD2-CD2 3.95Å; Q206-L214 HydrophobicContact CB-CD2 3.86Å; Q206-L214 HydrophobicContact CG-CD2 4.09Å; K209-L214 HydrophobicContact CD-CD1 4.3Å; Y210-L214 PolarHBondContact O-N 3.37Å; S211-L214 PolarHBondContact O-N 2.93Å; L214-Q217 PolarHBondContact O-N 2.93Å; L214-R218 PolarHBondContact O-N 2.9Å
215	Y	98.8	Very high	98.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-46.6	179.8	-61.8	-21.6	0	0	0	111.9	V148 L196 S211 F213 Q217 R218 V219 F238 Q239	V148-Y215 HydrophobicContact CG1-CD1 3.64Å; V148-Y215 HydrophobicContact CG1-CG 3.81Å; L196-Y215 HydrophobicContact CD1-CE1 4.11Å; S211-Y215 WeakPolarHBondContact O-CB 3.41Å; S211-Y215 VanDerWaalsContact O-CD2 3.3Å; S211-Y215 WeakPolarHBondContact O-CD2 3.37Å; S211-Y215 PolarHBondContact O-N 3.41Å; F213-Y215 VanDerWaalsContact C-N 3.3Å; F213-Y215 PolarHBondContact O-N 3.23Å; Y215-Q217 VanDerWaalsContact C-N 3.29Å; Y215-Q217 PolarHBondContact O-N 3.1Å; Y215-R218 PolarHBondContact O-N 2.65Å; Y215-R218 VanDerWaalsContact O-N 3.15Å; Y215-V219 WeakPolarHBondContact O-CG2 3.31Å; Y215-V219 PolarHBondContact O-N 2.7Å; Y215-F238 HydrophobicContact CD2-CD1 4.24Å; Y215-Q239 HydrophobicContact CE2-CB 4.49Å
216	A	98.8	Very high	98.2	Very high	4 Å²	4	37.7 Å²	37.7	3%	0.033	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-36.7	173.5	0	0	0	0	0	113.1	T212 F213 S220 A276 I280	T212-A216 PolarHBondContact O-N 2.83Å; F213-A216 PolarHBondContact O-N 2.91Å; A216-S220 WeakPolarHBondContact O-CB 3.47Å; A216-S220 PolarHBondContact O-N 3.4Å; A216-S220 PolarHBondContact O-OG 2.98Å; A216-A276 HydrophobicContact CB-CB 3.9Å; A216-I280 HydrophobicContact CB-CD1 4.4Å; A216-I280 HydrophobicContact CB-CG1 4.24Å
217	Q	98.8	Very high	98.2	Very high	101 Å²	101	39.7 Å²	39.7	47%	0.472	23%	0.233	S	C	.	.	H	α-helix	trans	-67.1	-40.2	174.6	-164.9	-164.9	85.9	0	0	111.8	F213 L214 Y215 S220 K221	F213-Q217 WeakPolarHBondContact O-CB 3.49Å; F213-Q217 PolarHBondContact O-N 3.11Å; L214-Q217 PolarHBondContact O-N 2.93Å; Y215-Q217 VanDerWaalsContact C-N 3.29Å; Y215-Q217 PolarHBondContact O-N 3.1Å; Q217-S220 WeakPolarHBondContact O-CB 3.48Å; Q217-S220 PolarHBondContact O-N 2.76Å; Q217-K221 WeakPolarHBondContact O-CG 3.5Å; Q217-K221 PolarHBondContact O-N 2.93Å
218	R	98.8	Very high	98.3	Very high	47 Å²	47	39.2 Å²	39.2	18%	0.177	23%	0.229	C	C	.	.	H	α-helix	trans	-65.6	-41.3	177.2	-172	60.8	158	79.8	-5.9	112	V148 L171 E198 L214 Y215 S220 K221 I222	V148-R218 HydrophobicContact CG1-CB 4.07Å; V148-R218 HydrophobicContact CG1-CG 4.37Å; V148-R218 HydrophobicContact CG2-CB 4.4Å; V148-R218 HydrophobicContact CG2-CG 4.08Å; L171-R218 HydrophobicContact CB-CG 3.97Å; L171-R218 HydrophobicContact CD2-CB 3.62Å; L171-R218 HydrophobicContact CD2-CG 3.55Å; L171-R218 HydrophobicContact CG-CG 4.4Å; E198-R218 IonicContact OE1-CZ 2.77Å; E198-R218 IonicContact OE1-NE 3.59Å; E198-R218 PolarHBondContact OE1-NE 3.41Å; E198-R218 IonicContact OE1-NH2 3.39Å; E198-R218 PolarHBondContact OE1-NH2 2.66Å; L214-R218 PolarHBondContact O-N 2.9Å; Y215-R218 PolarHBondContact O-N 2.65Å; Y215-R218 VanDerWaalsContact O-N 3.15Å; R218-S220 VanDerWaalsContact C-N 3.33Å; R218-K221 PolarHBondContact O-N 3.05Å; R218-I222 HydrophobicContact CG-CD1 4.2Å; R218-I222 VanDerWaalsContact NH1-CG1 3.31Å; R218-I222 WeakPolarHBondContact O-CD1 3.25Å; R218-I222 VanDerWaalsContact O-CG1 3.29Å; R218-I222 WeakPolarHBondContact O-CG1 3.19Å; R218-I222 PolarHBondContact O-N 2.95Å
219	V	98.9	Very high	98.2	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.2	-44.8	172	176.7	0	0	0	0	110.7	V148 Y215 K221 I222 L223 I234 V236 I280	V148-V219 HydrophobicContact CB-CG2 4.24Å; V148-V219 HydrophobicContact CG2-CG2 3.93Å; Y215-V219 WeakPolarHBondContact O-CG2 3.31Å; Y215-V219 PolarHBondContact O-N 2.7Å; V219-K221 VanDerWaalsContact C-N 3.32Å; V219-K221 PolarHBondContact O-N 3.42Å; V219-I222 PolarHBondContact O-N 3.32Å; V219-L223 HydrophobicContact CG1-CD1 4.04Å; V219-L223 HydrophobicContact CG1-CG 4.5Å; V219-L223 WeakPolarHBondContact O-CG 3.23Å; V219-L223 PolarHBondContact O-N 2.77Å; V219-I234 HydrophobicContact CG1-CD1 4.06Å; V219-I234 HydrophobicContact CG1-CG2 4.33Å; V219-I234 HydrophobicContact CG2-CG2 4.04Å; V219-V236 HydrophobicContact CG2-CG1 4.4Å; V219-V236 HydrophobicContact CG2-CG2 3.71Å; V219-I280 HydrophobicContact CB-CD1 4.42Å; V219-I280 HydrophobicContact CB-CG1 4.09Å; V219-I280 HydrophobicContact CG1-CB 4.47Å; V219-I280 HydrophobicContact CG1-CD1 4.41Å; V219-I280 HydrophobicContact CG1-CG1 3.93Å; V219-I280 HydrophobicContact CG1-CG2 3.93Å; V219-I280 HydrophobicContact CG2-CD1 4.34Å
220	S	98.8	Very high	98.1	Very high	29 Å²	29	44.5 Å²	44.5	20%	0.203	24%	0.235	C	C	.	.	H	α-helix	trans	-63.2	-34.6	177.1	-58.2	0	0	0	0	113.2	A216 Q217 R218 A224	A216-S220 WeakPolarHBondContact O-CB 3.47Å; A216-S220 PolarHBondContact O-N 3.4Å; A216-S220 PolarHBondContact O-OG 2.98Å; Q217-S220 WeakPolarHBondContact O-CB 3.48Å; Q217-S220 PolarHBondContact O-N 2.76Å; R218-S220 VanDerWaalsContact C-N 3.33Å; S220-A224 WeakPolarHBondContact O-CB 3.26Å; S220-A224 PolarHBondContact O-N 2.72Å
221	K	98.8	Very high	98.1	Very high	114 Å²	114	45.2 Å²	45.2	50%	0.496	24%	0.241	S	C	.	.	H	α-helix	trans	-68	-44	173	-76.9	168	168.7	169.3	0	111.9	Q217 R218 V219 A224 S225	Q217-K221 WeakPolarHBondContact O-CG 3.5Å; Q217-K221 PolarHBondContact O-N 2.93Å; R218-K221 PolarHBondContact O-N 3.05Å; V219-K221 VanDerWaalsContact C-N 3.32Å; V219-K221 PolarHBondContact O-N 3.42Å; K221-A224 PolarHBondContact O-N 2.98Å; K221-S225 PolarHBondContact O-N 3.3Å; K221-S225 VanDerWaalsContact O-N 3.14Å; K221-S225 PolarHBondContact O-OG 3.38Å
222	I	98.9	Very high	98.1	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	24%	0.241	C	C	.	.	H	α-helix	trans	-59.1	-49.1	176.4	-69.7	158.1	0	0	0	110.6	H146 V148 R218 V219 A224 S225 H226 I232 I234	H146-I222 HydrophobicContact CB-CD1 3.85Å; V148-I222 HydrophobicContact CG2-CD1 3.99Å; R218-I222 HydrophobicContact CG-CD1 4.2Å; R218-I222 VanDerWaalsContact NH1-CG1 3.31Å; R218-I222 WeakPolarHBondContact O-CD1 3.25Å; R218-I222 VanDerWaalsContact O-CG1 3.29Å; R218-I222 WeakPolarHBondContact O-CG1 3.19Å; R218-I222 PolarHBondContact O-N 2.95Å; V219-I222 PolarHBondContact O-N 3.32Å; I222-A224 PolarHBondContact O-N 3.46Å; I222-S225 PolarHBondContact O-N 3.01Å; I222-S225 PolarHBondContact O-OG 2.84Å; I222-H226 WeakPolarHBondContact O-CB 2.95Å; I222-H226 PolarHBondContact O-N 3.21Å; I222-I232 HydrophobicContact CG2-CD1 3.69Å; I222-I234 HydrophobicContact CG2-CD1 3.96Å
223	L	98.8	Very high	98.1	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-65.1	-27.3	179.7	-66.2	171.2	0	0	0	113	V219 I234 A283 L284 Y287 Y289	V219-L223 HydrophobicContact CG1-CD1 4.04Å; V219-L223 HydrophobicContact CG1-CG 4.5Å; V219-L223 WeakPolarHBondContact O-CG 3.23Å; V219-L223 PolarHBondContact O-N 2.77Å; L223-I234 HydrophobicContact CD2-CD1 3.82Å; L223-I234 HydrophobicContact CG-CD1 4.08Å; L223-A283 HydrophobicContact CD1-CB 3.9Å; L223-L284 HydrophobicContact CD1-CD2 3.63Å; L223-L284 HydrophobicContact CD1-CG 3.88Å; L223-L284 HydrophobicContact CD2-CD2 3.73Å; L223-L284 HydrophobicContact CG-CD2 4.35Å; L223-Y287 HydrophobicContact CB-CD2 3.84Å; L223-Y289 HydrophobicContact CB-CD2 4.49Å; L223-Y289 HydrophobicContact CB-CE2 4.24Å; L223-Y289 HydrophobicContact CD2-CD1 4.02Å; L223-Y289 HydrophobicContact CD2-CD2 3.88Å; L223-Y289 HydrophobicContact CD2-CE1 4.08Å; L223-Y289 HydrophobicContact CD2-CE2 3.96Å; L223-Y289 HydrophobicContact CD2-CG 3.92Å; L223-Y289 VanDerWaalsContact O-CE2 3.32Å; L223-Y289 WeakPolarHBondContact O-CE2 3.34Å
224	A	98.6	Very high	98.1	Very high	53 Å²	53	42.6 Å²	42.6	44%	0.438	23%	0.23	S	C	.	.	H	α-helix	trans	-79.2	-29	177.7	0	0	0	0	0	113.9	S220 K221 I222 Y287	S220-A224 WeakPolarHBondContact O-CB 3.26Å; S220-A224 PolarHBondContact O-N 2.72Å; K221-A224 PolarHBondContact O-N 2.98Å; I222-A224 PolarHBondContact O-N 3.46Å; A224-Y287 HydrophobicContact CB-CD2 4.32Å; A224-Y287 HydrophobicContact CB-CE1 4.02Å; A224-Y287 HydrophobicContact CB-CE2 3.77Å
225	S	98	Very high	98.1	Very high	107 Å²	107	42.1 Å²	42.1	75%	0.748	23%	0.227	S	C	*	.	H	α-helix	trans	-97.8	-25.1	-179.5	62.5	0	0	0	0	114	K221 I222	K221-S225 PolarHBondContact O-N 3.3Å; K221-S225 VanDerWaalsContact O-N 3.14Å; K221-S225 PolarHBondContact O-OG 3.38Å; I222-S225 PolarHBondContact O-N 3.01Å; I222-S225 PolarHBondContact O-OG 2.84Å
226	H	98.1	Very high	98.1	Very high	33 Å²	33	42.1 Å²	42.1	15%	0.153	23%	0.227	C	C	.	.	S	Bend	trans	-81.3	155.2	176	-174.9	-88.6	0	0	0	111.5	I222 K230 I232 Y289	I222-H226 WeakPolarHBondContact O-CB 2.95Å; I222-H226 PolarHBondContact O-N 3.21Å; H226-K230 PolarHBondContact CE1-O 3.11Å; H226-I232 HydrophobicContact CB-CD1 4.16Å; H226-Y289 WeakPolarHBondContact CB-OH 3.49Å; H226-Y289 AromaticContact ND1-CE1 3.85Å; H226-Y289 AromaticContact ND1-CZ 3.84Å; H226-Y289 PolarHBondContact ND1-OH 2.97Å; H226-Y289 PolarHBondContact O-OH 3.26Å
227	S	96.5	Very high	98.1	Very high	61 Å²	61	42 Å²	42	43%	0.427	23%	0.226	S	C	.	.			trans	-94.3	127.4	177.6	-171.3	0	0	0	0	112.2	K229 K230 Y289	S227-K229 PolarHBondContact O-N 3.48Å; S227-K230 PolarHBondContact O-N 3.24Å; S227-Y289 VanDerWaalsContact C-OH 3.28Å; S227-Y289 PolarHBondContact N-OH 3Å
228	P	95.6	Very high	98.1	Very high	48 Å²	48	37.1 Å²	37.1	31%	0.312	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-3.5	175.6	28.4	-36.4	0	0	0	113.7	H51 K230 Y289	H51-P228 PolarHBondContact CE1-O 2.89Å; H51-P228 VanDerWaalsContact CE1-O 3.29Å; P228-K230 VanDerWaalsContact C-N 3.35Å; P228-Y289 HydrophobicContact CB-CD1 4.16Å; P228-Y289 HydrophobicContact CB-CD2 4.13Å; P228-Y289 HydrophobicContact CB-CE1 4Å; P228-Y289 HydrophobicContact CB-CE2 3.96Å; P228-Y289 HydrophobicContact CB-CG 4.22Å; P228-Y289 HydrophobicContact CG-CE2 4.41Å
229	K	94.3	Very high	98	Very high	167 Å²	167	34.9 Å²	34.9	73%	0.726	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.9	170.5	-66.4	-178.1	-179.7	178.8	0	113.2	S227	S227-K229 PolarHBondContact O-N 3.48Å
230	K	96.1	Very high	98	Very high	86 Å²	86	34.9 Å²	34.9	37%	0.374	20%	0.195	S	C	.	.	S	Bend	trans	-100	141.6	175.9	-172.4	-171.7	175.7	-169.5	0	109.6	H51 G142 S144 H226 S227 P228	H51-K230 PolarHBondContact CE1-O 3.13Å; H51-K230 VanDerWaalsContact CE1-O 3.3Å; G142-K230 WeakPolarHBondContact O-CE 3.4Å; S144-K230 PolarHBondContact OG-NZ 2.93Å; H226-K230 PolarHBondContact CE1-O 3.11Å; S227-K230 PolarHBondContact O-N 3.24Å; P228-K230 VanDerWaalsContact C-N 3.35Å
231	P	97.9	Very high	98	Very high	26 Å²	26	33.6 Å²	33.6	17%	0.169	19%	0.185	C	C	.	.			trans	-64	146.6	170.3	26.7	-34	0	0	0	111.5	P49 Y143 S144	P49-P231 HydrophobicContact CB-CB 4.44Å; Y143-P231 HydrophobicContact CD1-CB 3.87Å; Y143-P231 HydrophobicContact CD2-CB 3.83Å; Y143-P231 HydrophobicContact CD2-CG 3.92Å; Y143-P231 HydrophobicContact CE1-CB 3.72Å; Y143-P231 HydrophobicContact CE2-CB 3.66Å; Y143-P231 HydrophobicContact CE2-CG 4.01Å; Y143-P231 HydrophobicContact CG-CB 3.9Å; Y143-P231 HydrophobicContact CG-CG 4.25Å; S144-P231 PolarHBondContact N-O 3.48Å; S144-P231 VanDerWaalsContact N-O 3.13Å
232	I	98.8	Very high	97.9	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	141	-178.2	-164.3	174.1	0	0	0	109.7	H51 I52 S144 I222 H226 I234 Y289	H51-I232 WeakPolarHBondContact CA-O 3.43Å; H51-I232 HydrophobicContact CB-CG2 3.86Å; I52-I232 PolarHBondContact N-O 3.29Å; S144-I232 CarbonylContact O-C 3.49Å; S144-I232 WeakPolarHBondContact O-CA 3.48Å; I222-I232 HydrophobicContact CG2-CD1 3.69Å; H226-I232 HydrophobicContact CB-CD1 4.16Å; I232-I234 HydrophobicContact CD1-CD1 3.98Å; I232-I234 HydrophobicContact CD1-CG1 4.02Å; I232-I234 HydrophobicContact CG1-CG1 4.07Å; I232-Y289 HydrophobicContact CG2-CD1 3.99Å; I232-Y289 HydrophobicContact CG2-CE1 3.84Å
233	F	98.9	Very high	97.8	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.009	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123.2	169	175.5	-132	0	0	0	108.7	I52 F54 L134 P135 L138 Y143 S144 T145 H146 F167	I52-F233 HydrophobicContact CB-CD2 3.91Å; I52-F233 HydrophobicContact CG2-CD2 3.59Å; I52-F233 HydrophobicContact CG2-CE2 3.85Å; I52-F233 CarbonylContact O-C 3.37Å; I52-F233 VanDerWaalsContact O-CA 3.31Å; I52-F233 WeakPolarHBondContact O-CA 3.46Å; F54-F233 HydrophobicContact CB-CE2 4.03Å; L134-F233 HydrophobicContact CD2-CZ 4.25Å; P135-F233 HydrophobicContact CB-CD1 4.11Å; P135-F233 HydrophobicContact CB-CE1 3.97Å; L138-F233 HydrophobicContact CD1-CB 3.93Å; L138-F233 HydrophobicContact CD1-CD1 3.55Å; L138-F233 HydrophobicContact CD1-CD2 3.91Å; L138-F233 HydrophobicContact CD1-CE1 3.95Å; L138-F233 HydrophobicContact CD1-CE2 4.29Å; L138-F233 HydrophobicContact CD1-CG 3.52Å; L138-F233 HydrophobicContact CD1-CZ 4.3Å; Y143-F233 HydrophobicContact CD1-CB 4.06Å; S144-F233 PolarHBondContact O-N 2.86Å; T145-F233 HydrophobicContact CG2-CB 4.24Å; T145-F233 HydrophobicContact CG2-CD1 4.34Å; H146-F233 PolarHBondContact N-O 3.04Å; F167-F233 AromaticContact CE1-CD1 3.96Å; F167-F233 HydrophobicContact CE1-CD1 3.96Å; F167-F233 AromaticContact CE1-CE1 3.61Å; F167-F233 HydrophobicContact CE1-CE1 3.61Å; F167-F233 HydrophobicContact CZ-CE1 4.07Å
234	I	98.9	Very high	97.7	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	115.1	172.1	-49.1	-174	0	0	0	108.9	I52 I53 F54 H146 V219 I222 L223 I232 V236	I52-I234 PolarHBondContact O-N 2.9Å; I53-I234 HydrophobicContact CD1-CB 3.83Å; I53-I234 HydrophobicContact CD1-CD1 3.9Å; I53-I234 HydrophobicContact CD1-CG1 3.79Å; F54-I234 PolarHBondContact N-O 3.25Å; H146-I234 HydrophobicContact CB-CG1 4.47Å; H146-I234 WeakPolarHBondContact O-CA 3.46Å; V219-I234 HydrophobicContact CG1-CD1 4.06Å; V219-I234 HydrophobicContact CG1-CG2 4.33Å; V219-I234 HydrophobicContact CG2-CG2 4.04Å; I222-I234 HydrophobicContact CG2-CD1 3.96Å; L223-I234 HydrophobicContact CD2-CD1 3.82Å; L223-I234 HydrophobicContact CG-CD1 4.08Å; I232-I234 HydrophobicContact CD1-CD1 3.98Å; I232-I234 HydrophobicContact CD1-CG1 4.02Å; I232-I234 HydrophobicContact CG1-CG1 4.07Å; I234-V236 HydrophobicContact CG2-CG2 3.7Å
235	Y	98.9	Very high	97.7	Very high	1 Å²	1	32 Å²	32	0%	0.004	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	106.1	170	177.8	-140.8	0	0	0	109.1	F54 L56 L103 I104 H146 M147 V148 F167 A237	F54-Y235 HydrophobicContact CB-CD2 4.4Å; F54-Y235 HydrophobicContact CD1-CD2 4.13Å; F54-Y235 HydrophobicContact CD1-CE2 4.2Å; L56-Y235 HydrophobicContact CB-CE2 3.94Å; L56-Y235 HydrophobicContact CD2-CE2 4.01Å; L56-Y235 VanDerWaalsContact CD2-OH 3.25Å; L56-Y235 WeakPolarHBondContact CD2-OH 2.98Å; L103-Y235 HydrophobicContact CD2-CE2 3.73Å; I104-Y235 HydrophobicContact CD1-CD1 4.46Å; I104-Y235 HydrophobicContact CD1-CE1 4.22Å; H146-Y235 PolarHBondContact O-N 3.33Å; M147-Y235 WeakPolarHBondContact CA-O 3.14Å; M147-Y235 HydrophobicContact CB-CD1 4.42Å; M147-Y235 HydrophobicContact CE-CD1 3.87Å; M147-Y235 HydrophobicContact CE-CE1 3.59Å; M147-Y235 HydrophobicContact CG-CD1 3.78Å; M147-Y235 HydrophobicContact CG-CE1 4.45Å; M147-Y235 HydrophobicContact SD-CD1 3.64Å; M147-Y235 HydrophobicContact SD-CE1 3.84Å; V148-Y235 PolarHBondContact N-O 3.45Å; F167-Y235 HydrophobicContact CE1-CD1 4.4Å; F167-Y235 HydrophobicContact CE2-CD1 4.32Å; F167-Y235 AromaticContact CZ-CD1 3.66Å; F167-Y235 HydrophobicContact CZ-CD1 3.66Å; F167-Y235 HydrophobicContact CZ-CG 4.22Å; Y235-A237 HydrophobicContact CD1-CB 4.36Å; Y235-A237 HydrophobicContact CD2-CB 4.37Å; Y235-A237 HydrophobicContact CE1-CB 3.85Å; Y235-A237 HydrophobicContact CE2-CB 3.85Å
236	V	98.9	Very high	97.7	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	85.8	179.4	-169.6	0	0	0	0	108	F54 I55 L56 V148 V219 I234 F238 I280	F54-V236 PolarHBondContact O-N 3.1Å; I55-V236 HydrophobicContact CG1-CB 4.35Å; L56-V236 PolarHBondContact N-O 2.84Å; V148-V236 CarbonylContact O-C 3.59Å; V219-V236 HydrophobicContact CG2-CG1 4.4Å; V219-V236 HydrophobicContact CG2-CG2 3.71Å; I234-V236 HydrophobicContact CG2-CG2 3.7Å; V236-F238 HydrophobicContact CG1-CD1 4.41Å; V236-F238 HydrophobicContact CG1-CD2 4.02Å; V236-F238 HydrophobicContact CG1-CE1 4.07Å; V236-F238 HydrophobicContact CG1-CE2 3.67Å; V236-F238 HydrophobicContact CG1-CG 4.38Å; V236-F238 HydrophobicContact CG1-CZ 3.68Å; V236-F238 PolarHBondContact O-N 3.27Å; V236-I280 HydrophobicContact CG1-CD1 4Å; V236-I280 HydrophobicContact CG2-CD1 4.4Å
237	A	98.8	Very high	97.5	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	78.1	-179.3	0	0	0	0	0	109.4	L56 M147 V148 G149 K150 Y235 Q239	L56-A237 CarbonylContact O-C 3.56Å; M147-A237 HydrophobicContact CE-CB 3.93Å; V148-A237 PolarHBondContact O-N 3.3Å; G149-A237 CarbonylContact C-O 3.58Å; G149-A237 VanDerWaalsContact CA-O 3.25Å; G149-A237 WeakPolarHBondContact CA-O 3.38Å; K150-A237 PolarHBondContact N-O 3.48Å; K150-A237 WeakPolarHBondContact O-CB 3.44Å; Y235-A237 HydrophobicContact CD1-CB 4.36Å; Y235-A237 HydrophobicContact CD2-CB 4.37Å; Y235-A237 HydrophobicContact CE1-CB 3.85Å; Y235-A237 HydrophobicContact CE2-CB 3.85Å; A237-Q239 PolarHBondContact O-N 3.25Å
238	F	98.8	Very high	97.5	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.134	C	C	.	.			trans	-55.5	143.7	178.2	-75	-64.5	0	0	0	111.1	I55 L56 T57 D58 T212 Y215 V236 A240 M273 A276 V277 I280	I55-F238 HydrophobicContact CG2-CD2 3.78Å; I55-F238 HydrophobicContact CG2-CE2 3.65Å; L56-F238 PolarHBondContact O-N 2.76Å; T57-F238 HydrophobicContact CG2-CD2 4.36Å; D58-F238 WeakPolarHBondContact CB-O 3.5Å; T212-F238 HydrophobicContact CG2-CD1 4.09Å; T212-F238 HydrophobicContact CG2-CE1 4.04Å; Y215-F238 HydrophobicContact CD2-CD1 4.24Å; V236-F238 HydrophobicContact CG1-CD1 4.41Å; V236-F238 HydrophobicContact CG1-CD2 4.02Å; V236-F238 HydrophobicContact CG1-CE1 4.07Å; V236-F238 HydrophobicContact CG1-CE2 3.67Å; V236-F238 HydrophobicContact CG1-CG 4.38Å; V236-F238 HydrophobicContact CG1-CZ 3.68Å; V236-F238 PolarHBondContact O-N 3.27Å; F238-A240 VanDerWaalsContact C-N 3.31Å; F238-A240 HydrophobicContact CB-CB 4.15Å; F238-M273 HydrophobicContact CD2-CG 4.06Å; F238-M273 HydrophobicContact CE2-CG 4.3Å; F238-M273 HydrophobicContact CG-CG 4.4Å; F238-A276 HydrophobicContact CE1-CB 3.9Å; F238-A276 HydrophobicContact CZ-CB 3.66Å; F238-V277 HydrophobicContact CE2-CG2 4.04Å; F238-I280 HydrophobicContact CE2-CD1 4.45Å; F238-I280 HydrophobicContact CZ-CD1 3.89Å
239	Q	97.5	Very high	97.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.157	C	C	.	.			trans	-76.4	-26.9	160.4	-175.3	-165.7	-4.4	0	0	110.7	D58 V178 Y180 S211 Y215 A237 V241 H242	D58-Q239 WeakPolarHBondContact CB-O 3.39Å; V178-Q239 PolarHBondContact O-NE2 3.2Å; Y180-Q239 HydrophobicContact CE1-CB 4.4Å; Y180-Q239 HydrophobicContact CE1-CG 4.22Å; Y180-Q239 HydrophobicContact CE2-CG 4.27Å; Y180-Q239 VanDerWaalsContact CE2-NE2 3.31Å; Y180-Q239 PolarHBondContact OH-O 2.82Å; S211-Q239 PolarHBondContact OG-OE1 2.95Å; Y215-Q239 HydrophobicContact CE2-CB 4.49Å; A237-Q239 PolarHBondContact O-N 3.25Å; Q239-V241 PolarHBondContact O-N 3.32Å; Q239-H242 WeakPolarHBondContact O-CB 3.21Å; Q239-H242 PolarHBondContact O-N 2.88Å
240	A	98.3	Very high	97.3	Very high	0 Å²	0	30 Å²	30	0%	0	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	122.7	172.8	0	0	0	0	0	109	T57 D58 Y180 T212 F238 M273	T57-A240 WeakPolarHBondContact CB-O 3.47Å; D58-A240 PolarHBondContact N-O 2.96Å; D58-A240 CarbonylContact O-C 3.57Å; Y180-A240 WeakPolarHBondContact OH-CA 3.44Å; T212-A240 HydrophobicContact CG2-CB 4.02Å; F238-A240 VanDerWaalsContact C-N 3.31Å; F238-A240 HydrophobicContact CB-CB 4.15Å; A240-M273 HydrophobicContact CB-CB 3.79Å; A240-M273 HydrophobicContact CB-CG 4.02Å
241	V	97.9	Very high	97.3	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.006	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	cis	-125.1	31.3	16.9	-68.4	0	0	0	0	113.7	D58 Q60 Q239 Y266 M269 V270	D58-V241 CarbonylContact O-C 3.57Å; D58-V241 WeakPolarHBondContact O-CA 3.05Å; D58-V241 PolarHBondContact O-N 2.94Å; Q60-V241 HydrophobicContact CB-CG2 4Å; Q60-V241 HydrophobicContact CG-CG2 4.25Å; Q239-V241 PolarHBondContact O-N 3.32Å; V241-Y266 HydrophobicContact CB-CD2 4.22Å; V241-Y266 HydrophobicContact CB-CE2 3.85Å; V241-Y266 HydrophobicContact CG2-CD2 4.24Å; V241-Y266 HydrophobicContact CG2-CE1 4.22Å; V241-Y266 HydrophobicContact CG2-CE2 3.4Å; V241-Y266 WeakPolarHBondContact CG2-OH 3.28Å; V241-M269 HydrophobicContact CB-CB 4.3Å; V241-M269 HydrophobicContact CG1-CB 3.83Å; V241-V270 HydrophobicContact CB-CG2 4.23Å; V241-V270 HydrophobicContact CG1-CB 4.25Å; V241-V270 HydrophobicContact CG1-CG2 3.68Å; V241-V270 HydrophobicContact CG2-CG2 4.05Å
242	H	98.3	Very high	97.2	Very high	18 Å²	18	27.6 Å²	27.6	8%	0.083	14%	0.137	C	C	.	.	S	Bend	trans	-62.5	158.1	175.9	-166.2	-75.5	0	0	0	112.3	D58 D59 Y180 Q239 M269 K318	D58-H242 HydrophobicContact CB-CB 3.97Å; D58-H242 VanDerWaalsContact CG-CB 3.46Å; D58-H242 PolarHBondContact O-N 2.92Å; D58-H242 VanDerWaalsContact O-N 3.13Å; D58-H242 IonicContact OD1-CD2 3.8Å; D58-H242 PolarHBondContact OD1-CD2 3.11Å; D58-H242 VanDerWaalsContact OD2-CB 3.27Å; D58-H242 WeakPolarHBondContact OD2-CB 3.15Å; D58-H242 IonicContact OD2-CD2 2.93Å; D58-H242 IonicContact OD2-CG 3.83Å; D59-H242 VanDerWaalsContact CG-CD2 3.44Å; D59-H242 IonicContact OD1-CD2 3.25Å; D59-H242 PolarHBondContact OD1-CD2 3.48Å; D59-H242 IonicContact OD2-CD2 3.59Å; D59-H242 PolarHBondContact OD2-CD2 3.45Å; D59-H242 IonicContact OD2-CG 2.77Å; D59-H242 IonicContact OD2-NE2 3.79Å; Y180-H242 VanDerWaalsContact CE2-O 3.31Å; Y180-H242 WeakPolarHBondContact CE2-O 3.46Å; Y180-H242 PolarHBondContact OH-N 3.43Å; Y180-H242 PolarHBondContact OH-O 2.88Å; Q239-H242 WeakPolarHBondContact O-CB 3.21Å; Q239-H242 PolarHBondContact O-N 2.88Å; H242-M269 WeakPolarHBondContact O-CE 3.44Å; H242-K318 PolarHBondContact CD2-NZ 2.88Å; H242-K318 PolarHBondContact NE2-NZ 3.29Å
243	T	95.8	Very high	96.9	Very high	45 Å²	45	34.6 Å²	34.6	28%	0.276	16%	0.164	S	C	.	.	S	Bend	trans	-59.7	154.3	171.7	48.9	0	0	0	0	112.6	L245 S307	T243-L245 HydrophobicContact CG2-CD2 4.27Å; T243-L245 HydrophobicContact CG2-CG 4.38Å; T243-S307 VanDerWaalsContact CG2-OG 3.22Å; T243-S307 WeakPolarHBondContact CG2-OG 3.38Å
244	P	97.5	Very high	96.6	Very high	44 Å²	44	39.5 Å²	39.5	29%	0.286	18%	0.183	S	C	.	.	S	Bend	cis	-72.4	153.1	0.8	31.7	-36.1	0	0	0	113.6	V178 Y180 Q246 M269	V178-P244 WeakPolarHBondContact O-CD 3.37Å; Y180-P244 HydrophobicContact CD2-CG 4.24Å; Y180-P244 WeakPolarHBondContact CD2-O 3.41Å; Y180-P244 WeakPolarHBondContact CE2-O 3.23Å; P244-Q246 HydrophobicContact CB-CG 4.31Å; P244-Q246 HydrophobicContact CG-CG 4.28Å; P244-Q246 PolarHBondContact O-N 2.84Å; P244-M269 WeakPolarHBondContact O-CE 3.31Å
245	L	97.4	Very high	96.4	Very high	33 Å²	33	39.8 Å²	39.8	17%	0.173	18%	0.184	C	C	.	.			trans	-79.5	87	-175.5	-60.4	-177.3	0	0	0	111.9	T243 A262 K265 Y266 M269 S307	T243-L245 HydrophobicContact CG2-CD2 4.27Å; T243-L245 HydrophobicContact CG2-CG 4.38Å; L245-A262 HydrophobicContact CD1-CB 3.86Å; L245-K265 HydrophobicContact CB-CB 4.02Å; L245-K265 HydrophobicContact CB-CD 4.08Å; L245-Y266 HydrophobicContact CD2-CD2 4.29Å; L245-M269 HydrophobicContact CB-SD 4.18Å; L245-M269 HydrophobicContact CD2-CE 4.2Å; L245-M269 HydrophobicContact CD2-SD 3.84Å; L245-S307 WeakPolarHBondContact CD1-O 3.47Å; L245-S307 VanDerWaalsContact CD2-O 3.31Å; L245-S307 WeakPolarHBondContact CD2-O 3.36Å
246	Q	97.7	Very high	96.1	Very high	49 Å²	49	46.2 Å²	46.2	23%	0.229	21%	0.208	C	C	.	.			trans	-131.8	128.5	-172.9	-69	175	-30.5	0	0	111.5	D179 Y180 Y181 Y210 P244 M269	D179-Q246 PolarHBondContact OD2-NE2 3.35Å; D179-Q246 PolarHBondContact OD2-OE1 3.23Å; Y180-Q246 HydrophobicContact CD2-CB 4.01Å; Y180-Q246 HydrophobicContact CG-CB 4.24Å; Y181-Q246 HydrophobicContact CE2-CB 4.32Å; Y210-Q246 VanDerWaalsContact CE2-O 3.28Å; Y210-Q246 WeakPolarHBondContact CE2-O 3.41Å; Y210-Q246 PolarHBondContact OH-O 2.91Å; P244-Q246 HydrophobicContact CB-CG 4.31Å; P244-Q246 HydrophobicContact CG-CG 4.28Å; P244-Q246 PolarHBondContact O-N 2.84Å; Q246-M269 PolarHBondContact N-SD 2.93Å; Q246-M269 VanDerWaalsContact O-CG 3.27Å; Q246-M269 WeakPolarHBondContact O-CG 3.36Å
247	S	94.8	Very high	95.8	Very high	12 Å²	12	51.5 Å²	51.5	8%	0.084	25%	0.245	C	C	.	.			trans	-151.6	157.8	174.8	44.5	0	0	0	0	110.6	K265 A268	S247-K265 PolarHBondContact OG-O 3.15Å; S247-A268 WeakPolarHBondContact OG-CB 3.39Å
248	P	95.9	Very high	95.5	Very high	14 Å²	14	52.1 Å²	52.1	9%	0.091	25%	0.248	C	C	.	.			trans	-59.2	138.9	173.4	-21	32.3	0	0	0	111.4	Y181 Y210 F213 E250 Y251	Y181-P248 WeakPolarHBondContact OH-CA 3.5Å; Y181-P248 WeakPolarHBondContact OH-CD 3.23Å; Y181-P248 WeakPolarHBondContact OH-CG 3.35Å; Y181-P248 VanDerWaalsContact OH-N 3.14Å; Y210-P248 HydrophobicContact CD1-CG 4.1Å; Y210-P248 HydrophobicContact CE1-CG 4.41Å; Y210-P248 HydrophobicContact CG-CG 4.2Å; F213-P248 HydrophobicContact CE2-CG 4.14Å; P248-E250 VanDerWaalsContact C-OE2 3.29Å; P248-E250 VanDerWaalsContact CB-CD 3.45Å; P248-E250 WeakPolarHBondContact CB-OE1 3.5Å; P248-E250 VanDerWaalsContact CB-OE2 3.29Å; P248-E250 WeakPolarHBondContact CB-OE2 3.47Å; P248-E250 PolarHBondContact O-N 3.47Å; P248-E250 VanDerWaalsContact O-N 3.15Å; P248-Y251 HydrophobicContact CB-CD2 3.98Å; P248-Y251 HydrophobicContact CB-CE2 4.31Å; P248-Y251 HydrophobicContact CG-CD2 4.34Å; P248-Y251 HydrophobicContact CG-CE2 4.48Å; P248-Y251 PolarHBondContact O-N 2.91Å; P248-Y251 VanDerWaalsContact O-N 3.08Å
249	K	92.7	Very high	95	Very high	183 Å²	183	54.7 Å²	54.7	80%	0.796	27%	0.274	S	S	*	.	H	α-helix	trans	-59.5	-33.4	-164.8	-65	178	-179.5	175.3	0	113	Y251 I252 Y253	K249-Y251 VanDerWaalsContact C-N 3.29Å; K249-Y251 PolarHBondContact O-N 2.83Å; K249-I252 WeakPolarHBondContact O-CB 3.28Å; K249-I252 PolarHBondContact O-N 3.22Å; K249-Y253 PolarHBondContact O-N 2.94Å
250	E	93.7	Very high	94.7	Very high	116 Å²	116	55 Å²	55	54%	0.542	28%	0.276	S	S	.	.	H	α-helix	trans	-65.6	-25.8	-179.6	67.2	-79.7	-170.6	0	0	113.6	P248	P248-E250 VanDerWaalsContact C-OE2 3.29Å; P248-E250 VanDerWaalsContact CB-CD 3.45Å; P248-E250 WeakPolarHBondContact CB-OE1 3.5Å; P248-E250 VanDerWaalsContact CB-OE2 3.29Å; P248-E250 WeakPolarHBondContact CB-OE2 3.47Å; P248-E250 PolarHBondContact O-N 3.47Å; P248-E250 VanDerWaalsContact O-N 3.15Å
251	Y	96.5	Very high	94.3	Very high	17 Å²	17	59.4 Å²	59.4	7%	0.067	30%	0.303	C	S	.	.	H	α-helix	trans	-78.5	-33.5	174.1	-67.7	-101.5	0	0	0	111.5	F213 P248 K249 Y253 R254 T271 C272	F213-Y251 HydrophobicContact CE2-CE2 4.25Å; F213-Y251 HydrophobicContact CZ-CE1 4.45Å; F213-Y251 HydrophobicContact CZ-CE2 4.1Å; F213-Y251 AromaticContact CZ-CZ 3.76Å; F213-Y251 WeakPolarHBondContact CZ-OH 3.4Å; P248-Y251 HydrophobicContact CB-CD2 3.98Å; P248-Y251 HydrophobicContact CB-CE2 4.31Å; P248-Y251 HydrophobicContact CG-CD2 4.34Å; P248-Y251 HydrophobicContact CG-CE2 4.48Å; P248-Y251 PolarHBondContact O-N 2.91Å; P248-Y251 VanDerWaalsContact O-N 3.08Å; K249-Y251 VanDerWaalsContact C-N 3.29Å; K249-Y251 PolarHBondContact O-N 2.83Å; Y251-Y253 VanDerWaalsContact C-N 3.27Å; Y251-Y253 PolarHBondContact O-N 3.1Å; Y251-R254 VanDerWaalsContact CE1-NH2 3.32Å; Y251-R254 WeakPolarHBondContact O-CB 3.4Å; Y251-R254 PolarHBondContact O-N 2.94Å; Y251-T271 HydrophobicContact CD1-CG2 3.91Å; Y251-T271 HydrophobicContact CE1-CG2 4.35Å; Y251-C272 VanDerWaalsContact CD1-SG 3.57Å
252	I	94.4	Very high	94.1	Very high	45 Å²	45	60.3 Å²	60.3	23%	0.231	31%	0.31	C	S	.	.	H	α-helix	trans	-64.3	-33.7	177.2	-55.8	174.3	0	0	0	111	K249 R254 Y255 R264 K265 A268	K249-I252 WeakPolarHBondContact O-CB 3.28Å; K249-I252 PolarHBondContact O-N 3.22Å; I252-R254 VanDerWaalsContact C-N 3.27Å; I252-R254 PolarHBondContact O-N 3.46Å; I252-Y255 PolarHBondContact O-N 2.99Å; I252-Y255 VanDerWaalsContact O-N 3.12Å; I252-R264 HydrophobicContact CG2-CG 4.11Å; I252-K265 HydrophobicContact CD1-CG 4.49Å; I252-A268 HydrophobicContact CB-CB 4.41Å; I252-A268 HydrophobicContact CG1-CB 3.77Å
253	Y	92.7	Very high	93.9	Very high	147 Å²	147	59.6 Å²	59.6	58%	0.576	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-64.8	-26.6	179	-175.3	-99.4	0	0	0	113.9	K249 Y251 Y255 R256	K249-Y253 PolarHBondContact O-N 2.94Å; Y251-Y253 VanDerWaalsContact C-N 3.27Å; Y251-Y253 PolarHBondContact O-N 3.1Å; Y253-Y255 PolarHBondContact O-N 2.76Å; Y253-R256 WeakPolarHBondContact O-CG 3.24Å; Y253-R256 PolarHBondContact O-N 2.99Å; Y253-R256 PolarHBondContact O-NH1 3.12Å
254	R	93.4	Very high	93.9	Very high	104 Å²	104	60.5 Å²	60.5	39%	0.392	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-60.2	-34.4	173.8	-55.7	-174.4	-169.8	-172.7	7.1	111.3	Y251 I252	Y251-R254 VanDerWaalsContact CE1-NH2 3.32Å; Y251-R254 WeakPolarHBondContact O-CB 3.4Å; Y251-R254 PolarHBondContact O-N 2.94Å; I252-R254 VanDerWaalsContact C-N 3.27Å; I252-R254 PolarHBondContact O-N 3.46Å
255	Y	94.9	Very high	93.9	Very high	6 Å²	6	62.4 Å²	62.4	2%	0.024	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-103.4	19.5	-174.8	-61.3	-67.2	0	0	0	114.2	Q73 I252 Y253 S257 M258 R264 A267 A268 T271	Q73-Y255 WeakPolarHBondContact CB-OH 3.5Å; Q73-Y255 HydrophobicContact CG-CE1 4.38Å; Q73-Y255 PolarHBondContact N-OH 3.01Å; I252-Y255 PolarHBondContact O-N 2.99Å; I252-Y255 VanDerWaalsContact O-N 3.12Å; Y253-Y255 PolarHBondContact O-N 2.76Å; Y255-S257 PolarHBondContact O-N 2.86Å; Y255-M258 HydrophobicContact CD1-CE 3.51Å; Y255-M258 HydrophobicContact CD1-CG 4.42Å; Y255-M258 HydrophobicContact CD1-SD 3.77Å; Y255-M258 HydrophobicContact CE1-CE 3.95Å; Y255-M258 HydrophobicContact CG-CE 4.32Å; Y255-M258 HydrophobicContact CG-SD 4Å; Y255-M258 WeakPolarHBondContact O-CB 3.32Å; Y255-M258 PolarHBondContact O-N 3.38Å; Y255-R264 WeakPolarHBondContact O-CG 3.25Å; Y255-R264 PolarHBondContact O-NE 3.12Å; Y255-A267 HydrophobicContact CD1-CB 4Å; Y255-A267 HydrophobicContact CD2-CB 3.71Å; Y255-A267 HydrophobicContact CE1-CB 4.04Å; Y255-A267 VanDerWaalsContact CE2-C 3.47Å; Y255-A267 HydrophobicContact CE2-CB 3.77Å; Y255-A267 WeakPolarHBondContact CE2-O 3.49Å; Y255-A267 HydrophobicContact CG-CB 3.82Å; Y255-A268 HydrophobicContact CD2-CB 4.34Å; Y255-T271 WeakPolarHBondContact CE2-OG1 3.44Å; Y255-T271 PolarHBondContact OH-OG1 3.17Å
256	R	92.6	Very high	93.9	Very high	137 Å²	137	60.9 Å²	60.9	52%	0.517	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-21.4	-174.5	65	-173.4	177.4	-82.6	3.6	115.7	Y253 R264	Y253-R256 WeakPolarHBondContact O-CG 3.24Å; Y253-R256 PolarHBondContact O-N 2.99Å; Y253-R256 PolarHBondContact O-NH1 3.12Å; R256-R264 VanDerWaalsContact O-CZ 3.25Å; R256-R264 PolarHBondContact O-NH1 2.9Å; R256-R264 PolarHBondContact O-NH2 2.82Å; R256-R264 VanDerWaalsContact O-NH2 3.16Å
257	S	91.8	Very high	93.9	Very high	110 Å²	110	58.5 Å²	58.5	77%	0.769	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-21	174.3	47.6	0	0	0	0	114.8	Y255 G259	Y255-S257 PolarHBondContact O-N 2.86Å; S257-G259 PolarHBondContact O-N 2.87Å; S257-G259 VanDerWaalsContact O-N 3.07Å
258	M	92.3	Very high	94.1	Very high	13 Å²	13	58 Å²	58	6%	0.064	29%	0.286	C	S	.	.			trans	-67.1	106.9	178.8	-68.3	-172.2	164.1	0	0	110.3	D71 I72 Y255 N260 R263 R264 A267 Q443	D71-M258 HydrophobicContact CB-CE 3.85Å; D71-M258 VanDerWaalsContact CG-CE 3.48Å; D71-M258 VanDerWaalsContact O-CE 3.22Å; D71-M258 WeakPolarHBondContact O-CE 3.41Å; D71-M258 WeakPolarHBondContact OD2-CE 3.28Å; I72-M258 HydrophobicContact CG1-CE 4.34Å; Y255-M258 HydrophobicContact CD1-CE 3.51Å; Y255-M258 HydrophobicContact CD1-CG 4.42Å; Y255-M258 HydrophobicContact CD1-SD 3.77Å; Y255-M258 HydrophobicContact CE1-CE 3.95Å; Y255-M258 HydrophobicContact CG-CE 4.32Å; Y255-M258 HydrophobicContact CG-SD 4Å; Y255-M258 WeakPolarHBondContact O-CB 3.32Å; Y255-M258 PolarHBondContact O-N 3.38Å; M258-N260 PolarHBondContact O-N 2.04Å; M258-R263 HydrophobicContact SD-CG 4.38Å; M258-R264 HydrophobicContact CB-CB 4.08Å; M258-R264 HydrophobicContact CB-CG 4.31Å; M258-R264 VanDerWaalsContact O-CZ 3.23Å; M258-R264 PolarHBondContact O-NE 3.24Å; M258-R264 PolarHBondContact O-NH2 2.77Å; M258-A267 HydrophobicContact CE-CB 4.07Å; M258-A267 HydrophobicContact SD-CB 3.83Å; M258-Q443 VanDerWaalsContact CG-NE2 3.29Å; M258-Q443 PolarHBondContact SD-NE2 3.42Å; M258-Q443 VanDerWaalsContact SD-NE2 3.36Å
259	G	89	Confident	94.2	Very high	54 Å²	54	57.3 Å²	57.3	56%	0.557	28%	0.282	S	S	*	.	S	Bend	trans	-59	-33.5	-177.9	0	0	0	0	0	113.3	S257 V261	S257-G259 PolarHBondContact O-N 2.87Å; S257-G259 VanDerWaalsContact O-N 3.07Å; G259-V261 PolarHBondContact O-N 2.94Å
260	N	90.5	Very high	94.5	Very high	8 Å²	8	48.6 Å²	48.6	4%	0.043	24%	0.244	C	C	.	.			trans	-73.2	108.7	176.8	-172.4	-38.3	0	0	0	111.4	M258 A262 R263 R264 Q443 T444 L445	M258-N260 PolarHBondContact O-N 2.04Å; N260-A262 VanDerWaalsContact C-N 3.3Å; N260-A262 PolarHBondContact O-N 3.09Å; N260-A262 WeakPolarHBondContact OD1-CA 3.49Å; N260-A262 WeakPolarHBondContact OD1-CB 3.48Å; N260-A262 PolarHBondContact OD1-N 3.24Å; N260-R263 HydrophobicContact CB-CB 3.9Å; N260-R263 PolarHBondContact O-N 3.43Å; N260-R263 PolarHBondContact OD1-N 2.79Å; N260-R264 VanDerWaalsContact O-CB 3.25Å; N260-R264 WeakPolarHBondContact O-CB 3.31Å; N260-R264 PolarHBondContact O-N 3.14Å; N260-Q443 VanDerWaalsContact CB-OE1 3.29Å; N260-Q443 PolarHBondContact ND2-O 3.1Å; N260-T444 PolarHBondContact ND2-O 3.36Å; N260-L445 VanDerWaalsContact CA-CD2 3.41Å; N260-L445 HydrophobicContact CB-CD2 3.53Å
261	V	91.6	Very high	94.8	Very high	91 Å²	91	43.3 Å²	43.3	55%	0.552	22%	0.219	S	C	*	.	H	α-helix	trans	-63.8	-32.9	-178.7	179.8	0	0	0	0	112.6	G259 K265	G259-V261 PolarHBondContact O-N 2.94Å; V261-K265 WeakPolarHBondContact O-CG 3.5Å; V261-K265 PolarHBondContact O-N 2.65Å
262	A	92.6	Very high	94.9	Very high	20 Å²	20	42.5 Å²	42.5	17%	0.165	22%	0.216	C	C	.	.	H	α-helix	trans	-69.8	-52.8	175.8	0	0	0	0	0	110.6	L245 N260 R264 K265 Y266	L245-A262 HydrophobicContact CD1-CB 3.86Å; N260-A262 VanDerWaalsContact C-N 3.3Å; N260-A262 PolarHBondContact O-N 3.09Å; N260-A262 WeakPolarHBondContact OD1-CA 3.49Å; N260-A262 WeakPolarHBondContact OD1-CB 3.48Å; N260-A262 PolarHBondContact OD1-N 3.24Å; A262-R264 VanDerWaalsContact C-N 3.27Å; A262-R264 PolarHBondContact O-N 3.34Å; A262-K265 PolarHBondContact O-N 2.99Å; A262-Y266 VanDerWaalsContact O-CB 3.32Å; A262-Y266 WeakPolarHBondContact O-CB 3.42Å; A262-Y266 PolarHBondContact O-N 3.37Å
263	R	94.9	Very high	95.1	Very high	3 Å²	3	40.3 Å²	40.3	1%	0.011	21%	0.205	C	C	.	.	H	α-helix	trans	-60.1	-35.3	175.9	-172.6	162.4	-175.3	81.8	-0.5	112.2	H63 D64 S70 D71 M258 N260 Y266 A267 G308	H63-R263 PolarHBondContact O-NH2 2.75Å; D64-R263 IonicContact OD1-CZ 3.16Å; D64-R263 VanDerWaalsContact OD1-CZ 3.25Å; D64-R263 IonicContact OD1-NH1 3.71Å; D64-R263 PolarHBondContact OD1-NH1 2.93Å; D64-R263 IonicContact OD1-NH2 3.95Å; D64-R263 PolarHBondContact OD1-NH2 2.89Å; S70-R263 PolarHBondContact OG-NH2 2.77Å; D71-R263 IonicContact OD1-CZ 2.68Å; D71-R263 VanDerWaalsContact OD1-CZ 3.27Å; D71-R263 IonicContact OD1-NE 3.1Å; D71-R263 PolarHBondContact OD1-NE 3.17Å; D71-R263 IonicContact OD1-NH2 3.27Å; D71-R263 PolarHBondContact OD1-NH2 3.04Å; D71-R263 IonicContact OD2-NE 2.7Å; D71-R263 PolarHBondContact OD2-NE 3.23Å; M258-R263 HydrophobicContact SD-CG 4.38Å; N260-R263 HydrophobicContact CB-CB 3.9Å; N260-R263 PolarHBondContact O-N 3.43Å; N260-R263 PolarHBondContact OD1-N 2.79Å; R263-Y266 PolarHBondContact O-N 2.84Å; R263-A267 WeakPolarHBondContact O-CB 3.47Å; R263-A267 PolarHBondContact O-N 3.16Å; R263-G308 WeakPolarHBondContact CB-O 3.5Å; R263-G308 VanDerWaalsContact CG-O 3.28Å; R263-G308 WeakPolarHBondContact CG-O 3.44Å; R263-G308 PolarHBondContact NH1-O 2.72Å
264	R	95.4	Very high	95.4	Very high	65 Å²	65	33.7 Å²	33.7	25%	0.245	18%	0.18	C	C	.	.	H	α-helix	trans	-61	-45.7	174.6	-169.3	-171.9	-56.9	-169.6	-0.3	112.7	I252 Y255 R256 M258 N260 A262 A268	I252-R264 HydrophobicContact CG2-CG 4.11Å; Y255-R264 WeakPolarHBondContact O-CG 3.25Å; Y255-R264 PolarHBondContact O-NE 3.12Å; R256-R264 VanDerWaalsContact O-CZ 3.25Å; R256-R264 PolarHBondContact O-NH1 2.9Å; R256-R264 PolarHBondContact O-NH2 2.82Å; R256-R264 VanDerWaalsContact O-NH2 3.16Å; M258-R264 HydrophobicContact CB-CB 4.08Å; M258-R264 HydrophobicContact CB-CG 4.31Å; M258-R264 VanDerWaalsContact O-CZ 3.23Å; M258-R264 PolarHBondContact O-NE 3.24Å; M258-R264 PolarHBondContact O-NH2 2.77Å; N260-R264 VanDerWaalsContact O-CB 3.25Å; N260-R264 WeakPolarHBondContact O-CB 3.31Å; N260-R264 PolarHBondContact O-N 3.14Å; A262-R264 VanDerWaalsContact C-N 3.27Å; A262-R264 PolarHBondContact O-N 3.34Å; R264-A268 PolarHBondContact O-N 2.88Å
265	K	96.4	Very high	95.6	Very high	83 Å²	83	31 Å²	31	36%	0.361	17%	0.172	S	C	.	.	H	α-helix	trans	-67.5	-43.9	176.5	-73.4	176.7	169.3	-165.5	0	111.3	L245 S247 I252 V261 A262 A268 M269	L245-K265 HydrophobicContact CB-CB 4.02Å; L245-K265 HydrophobicContact CB-CD 4.08Å; S247-K265 PolarHBondContact OG-O 3.15Å; I252-K265 HydrophobicContact CD1-CG 4.49Å; V261-K265 WeakPolarHBondContact O-CG 3.5Å; V261-K265 PolarHBondContact O-N 2.65Å; A262-K265 PolarHBondContact O-N 2.99Å; K265-A268 WeakPolarHBondContact O-CB 3.4Å; K265-A268 PolarHBondContact O-N 2.88Å; K265-M269 VanDerWaalsContact O-CG 3.3Å; K265-M269 WeakPolarHBondContact O-CG 3.4Å; K265-M269 PolarHBondContact O-N 2.87Å; K265-M269 VanDerWaalsContact O-N 3.08Å
266	Y	98	Very high	95.8	Very high	1 Å²	1	30.7 Å²	30.7	0%	0.004	17%	0.171	C	C	.	.	H	α-helix	trans	-60.7	-46.7	177.2	-178.8	-86.5	0	0	0	112.3	D59 Q60 G61 D64 I72 V241 L245 A262 R263 A268 M269 V270 S307 G309	D59-Y266 PolarHBondContact O-OH 3.06Å; Q60-Y266 WeakPolarHBondContact CA-OH 3.18Å; G61-Y266 PolarHBondContact N-OH 2.98Å; D64-Y266 HydrophobicContact CB-CE1 3.99Å; D64-Y266 PolarHBondContact OD2-OH 3.01Å; I72-Y266 HydrophobicContact CD1-CD1 3.97Å; I72-Y266 HydrophobicContact CD1-CE1 4.08Å; V241-Y266 HydrophobicContact CB-CD2 4.22Å; V241-Y266 HydrophobicContact CB-CE2 3.85Å; V241-Y266 HydrophobicContact CG2-CD2 4.24Å; V241-Y266 HydrophobicContact CG2-CE1 4.22Å; V241-Y266 HydrophobicContact CG2-CE2 3.4Å; V241-Y266 WeakPolarHBondContact CG2-OH 3.28Å; L245-Y266 HydrophobicContact CD2-CD2 4.29Å; A262-Y266 VanDerWaalsContact O-CB 3.32Å; A262-Y266 WeakPolarHBondContact O-CB 3.42Å; A262-Y266 PolarHBondContact O-N 3.37Å; R263-Y266 PolarHBondContact O-N 2.84Å; Y266-A268 VanDerWaalsContact C-N 3.28Å; Y266-A268 PolarHBondContact O-N 2.72Å; Y266-M269 CarbonylContact O-C 3.57Å; Y266-M269 WeakPolarHBondContact O-CA 3.48Å; Y266-M269 WeakPolarHBondContact O-CB 3.3Å; Y266-M269 PolarHBondContact O-N 3.11Å; Y266-V270 HydrophobicContact CD1-CG2 3.93Å; Y266-V270 HydrophobicContact CE1-CG2 3.66Å; Y266-V270 WeakPolarHBondContact O-CG2 3.3Å; Y266-V270 PolarHBondContact O-N 3.3Å; Y266-S307 VanDerWaalsContact CD2-O 3.32Å; Y266-S307 WeakPolarHBondContact CD2-O 3.43Å; Y266-G309 VanDerWaalsContact CE1-CA 3.49Å
267	A	98.2	Very high	96.1	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-57.8	-39.7	175.3	0	0	0	0	0	112.4	I72 Y255 M258 R263 V270 T271	I72-A267 HydrophobicContact CB-CB 4.45Å; I72-A267 HydrophobicContact CD1-CB 4.03Å; I72-A267 HydrophobicContact CG1-CB 3.76Å; I72-A267 HydrophobicContact CG2-CB 4.08Å; Y255-A267 HydrophobicContact CD1-CB 4Å; Y255-A267 HydrophobicContact CD2-CB 3.71Å; Y255-A267 HydrophobicContact CE1-CB 4.04Å; Y255-A267 VanDerWaalsContact CE2-C 3.47Å; Y255-A267 HydrophobicContact CE2-CB 3.77Å; Y255-A267 WeakPolarHBondContact CE2-O 3.49Å; Y255-A267 HydrophobicContact CG-CB 3.82Å; M258-A267 HydrophobicContact CE-CB 4.07Å; M258-A267 HydrophobicContact SD-CB 3.83Å; R263-A267 WeakPolarHBondContact O-CB 3.47Å; R263-A267 PolarHBondContact O-N 3.16Å; A267-V270 PolarHBondContact O-N 3.41Å; A267-T271 WeakPolarHBondContact O-CB 3.34Å; A267-T271 PolarHBondContact O-N 2.86Å; A267-T271 PolarHBondContact O-OG1 2.87Å
268	A	98.4	Very high	96.5	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-40.1	172.1	0	0	0	0	0	112.3	S247 I252 Y255 R264 K265 Y266 T271 C272	S247-A268 WeakPolarHBondContact OG-CB 3.39Å; I252-A268 HydrophobicContact CB-CB 4.41Å; I252-A268 HydrophobicContact CG1-CB 3.77Å; Y255-A268 HydrophobicContact CD2-CB 4.34Å; R264-A268 PolarHBondContact O-N 2.88Å; K265-A268 WeakPolarHBondContact O-CB 3.4Å; K265-A268 PolarHBondContact O-N 2.88Å; Y266-A268 VanDerWaalsContact C-N 3.28Å; Y266-A268 PolarHBondContact O-N 2.72Å; A268-T271 PolarHBondContact O-N 3.09Å; A268-C272 PolarHBondContact O-N 3.1Å; A268-C272 PolarHBondContact O-SG 2.83Å
269	M	98.8	Very high	96.8	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-64.8	-43.5	175.2	-61.5	158.9	71.9	0	0	112.2	Y180 V241 H242 P244 L245 Q246 K265 Y266 T271 C272 M273	Y180-M269 HydrophobicContact CE1-CE 4.23Å; Y180-M269 HydrophobicContact CE2-CE 3.65Å; Y180-M269 VanDerWaalsContact CZ-CE 3.45Å; Y180-M269 WeakPolarHBondContact OH-CE 3.3Å; V241-M269 HydrophobicContact CB-CB 4.3Å; V241-M269 HydrophobicContact CG1-CB 3.83Å; H242-M269 WeakPolarHBondContact O-CE 3.44Å; P244-M269 WeakPolarHBondContact O-CE 3.31Å; L245-M269 HydrophobicContact CB-SD 4.18Å; L245-M269 HydrophobicContact CD2-CE 4.2Å; L245-M269 HydrophobicContact CD2-SD 3.84Å; Q246-M269 PolarHBondContact N-SD 2.93Å; Q246-M269 VanDerWaalsContact O-CG 3.27Å; Q246-M269 WeakPolarHBondContact O-CG 3.36Å; K265-M269 VanDerWaalsContact O-CG 3.3Å; K265-M269 WeakPolarHBondContact O-CG 3.4Å; K265-M269 PolarHBondContact O-N 2.87Å; K265-M269 VanDerWaalsContact O-N 3.08Å; Y266-M269 CarbonylContact O-C 3.57Å; Y266-M269 WeakPolarHBondContact O-CA 3.48Å; Y266-M269 WeakPolarHBondContact O-CB 3.3Å; Y266-M269 PolarHBondContact O-N 3.11Å; M269-T271 VanDerWaalsContact C-N 3.27Å; M269-T271 PolarHBondContact O-N 2.87Å; M269-C272 WeakPolarHBondContact O-CB 3.44Å; M269-C272 PolarHBondContact O-N 3.17Å; M269-M273 PolarHBondContact O-N 2.81Å
270	V	98.8	Very high	97.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-59.2	-40.9	173.6	175.3	0	0	0	0	110.4	I72 T74 V241 Y266 A267 M273 D274	I72-V270 HydrophobicContact CD1-CG2 4.3Å; I72-V270 HydrophobicContact CG2-CB 3.7Å; I72-V270 HydrophobicContact CG2-CG1 3.56Å; I72-V270 HydrophobicContact CG2-CG2 4.33Å; T74-V270 HydrophobicContact CG2-CG1 3.43Å; T74-V270 VanDerWaalsContact CG2-CG1 3.43Å; V241-V270 HydrophobicContact CB-CG2 4.23Å; V241-V270 HydrophobicContact CG1-CB 4.25Å; V241-V270 HydrophobicContact CG1-CG2 3.68Å; V241-V270 HydrophobicContact CG2-CG2 4.05Å; Y266-V270 HydrophobicContact CD1-CG2 3.93Å; Y266-V270 HydrophobicContact CE1-CG2 3.66Å; Y266-V270 WeakPolarHBondContact O-CG2 3.3Å; Y266-V270 PolarHBondContact O-N 3.3Å; A267-V270 PolarHBondContact O-N 3.41Å; V270-M273 HydrophobicContact CG1-CE 4.15Å; V270-M273 CarbonylContact O-C 3.56Å; V270-M273 WeakPolarHBondContact O-CB 3.36Å; V270-M273 PolarHBondContact O-N 2.86Å; V270-M273 VanDerWaalsContact O-N 3.13Å; V270-D274 PolarHBondContact O-N 3.12Å
271	T	98.6	Very high	97.6	Very high	5 Å²	5	22.4 Å²	22.4	3%	0.031	11%	0.112	C	C	.	.	H	α-helix	trans	-68.1	-38	178.6	-50.7	0	0	0	0	112.3	Y251 Y255 A267 A268 M269 M273 D274 E275	Y251-T271 HydrophobicContact CD1-CG2 3.91Å; Y251-T271 HydrophobicContact CE1-CG2 4.35Å; Y255-T271 WeakPolarHBondContact CE2-OG1 3.44Å; Y255-T271 PolarHBondContact OH-OG1 3.17Å; A267-T271 WeakPolarHBondContact O-CB 3.34Å; A267-T271 PolarHBondContact O-N 2.86Å; A267-T271 PolarHBondContact O-OG1 2.87Å; A268-T271 PolarHBondContact O-N 3.09Å; M269-T271 VanDerWaalsContact C-N 3.27Å; M269-T271 PolarHBondContact O-N 2.87Å; T271-M273 VanDerWaalsContact C-N 3.26Å; T271-M273 PolarHBondContact O-N 2.59Å; T271-D274 PolarHBondContact O-N 3.41Å; T271-E275 WeakPolarHBondContact O-CB 3.48Å; T271-E275 PolarHBondContact O-N 3.16Å
272	C	98.8	Very high	98	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.9	-34.3	170.5	-64.6	0	0	0	0	112	Y210 T212 F213 Y251 A268 M269 A276	Y210-C272 HydrophobicContact CE1-CB 3.81Å; T212-C272 HydrophobicContact CG2-CB 4.49Å; F213-C272 HydrophobicContact CE1-CB 3.96Å; F213-C272 VanDerWaalsContact CE1-O 3.3Å; F213-C272 WeakPolarHBondContact CE1-O 3.11Å; F213-C272 HydrophobicContact CZ-CB 3.76Å; Y251-C272 VanDerWaalsContact CD1-SG 3.57Å; A268-C272 PolarHBondContact O-N 3.1Å; A268-C272 PolarHBondContact O-SG 2.83Å; M269-C272 WeakPolarHBondContact O-CB 3.44Å; M269-C272 PolarHBondContact O-N 3.17Å; C272-A276 WeakPolarHBondContact O-CB 3.35Å; C272-A276 PolarHBondContact O-N 3.41Å
273	M	98.9	Very high	98.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-73.8	-40.4	177.6	178.4	-80.2	-60.7	0	0	111.9	T57 L77 T212 F238 A240 M269 V270 T271 E275 A276 V277 F297	T57-M273 HydrophobicContact CG2-CE 3.85Å; T57-M273 HydrophobicContact CG2-CG 3.83Å; T57-M273 HydrophobicContact CG2-SD 3.59Å; T57-M273 VanDerWaalsContact CG2-SD 3.59Å; L77-M273 HydrophobicContact CD1-CE 3.83Å; L77-M273 HydrophobicContact CD1-SD 4.2Å; T212-M273 HydrophobicContact CG2-CB 4.17Å; F238-M273 HydrophobicContact CD2-CG 4.06Å; F238-M273 HydrophobicContact CE2-CG 4.3Å; F238-M273 HydrophobicContact CG-CG 4.4Å; A240-M273 HydrophobicContact CB-CB 3.79Å; A240-M273 HydrophobicContact CB-CG 4.02Å; M269-M273 PolarHBondContact O-N 2.81Å; V270-M273 HydrophobicContact CG1-CE 4.15Å; V270-M273 CarbonylContact O-C 3.56Å; V270-M273 WeakPolarHBondContact O-CB 3.36Å; V270-M273 PolarHBondContact O-N 2.86Å; V270-M273 VanDerWaalsContact O-N 3.13Å; T271-M273 VanDerWaalsContact C-N 3.26Å; T271-M273 PolarHBondContact O-N 2.59Å; M273-E275 VanDerWaalsContact C-N 3.32Å; M273-E275 PolarHBondContact O-N 2.98Å; M273-A276 WeakPolarHBondContact O-CB 3.44Å; M273-A276 PolarHBondContact O-N 3.32Å; M273-A276 VanDerWaalsContact O-N 3.12Å; M273-V277 WeakPolarHBondContact O-CG2 3.28Å; M273-V277 PolarHBondContact O-N 2.89Å; M273-V277 HydrophobicContact SD-CG2 4.08Å; M273-F297 HydrophobicContact CE-CZ 4.18Å; M273-F297 HydrophobicContact SD-CE2 3.89Å; M273-F297 HydrophobicContact SD-CZ 4Å
274	D	98.9	Very high	98.5	Very high	8 Å²	8	24.5 Å²	24.5	4%	0.043	11%	0.106	C	C	.	.	H	α-helix	trans	-57	-45.6	169.8	-175.1	90	0	0	0	111.4	T74 P75 T76 L77 V270 T271 A276 V277 K278	T74-D274 VanDerWaalsContact CA-OD1 3.24Å; T74-D274 WeakPolarHBondContact CA-OD1 3.4Å; T74-D274 VanDerWaalsContact O-OD1 3.12Å; P75-D274 WeakPolarHBondContact CD-OD2 3.47Å; T76-D274 WeakPolarHBondContact CA-OD1 3.36Å; T76-D274 VanDerWaalsContact CB-CG 3.45Å; T76-D274 VanDerWaalsContact CB-OD1 3.23Å; T76-D274 WeakPolarHBondContact CB-OD1 3.42Å; T76-D274 WeakPolarHBondContact CB-OD2 3.48Å; T76-D274 PolarHBondContact N-OD1 2.99Å; T76-D274 PolarHBondContact N-OD2 3.35Å; T76-D274 VanDerWaalsContact N-OD2 3.17Å; T76-D274 PolarHBondContact OG1-OD2 3.47Å; L77-D274 PolarHBondContact N-OD1 3.09Å; V270-D274 PolarHBondContact O-N 3.12Å; T271-D274 PolarHBondContact O-N 3.41Å; D274-A276 VanDerWaalsContact C-N 3.35Å; D274-A276 PolarHBondContact O-N 3.29Å; D274-V277 PolarHBondContact O-N 2.87Å; D274-K278 PolarHBondContact O-N 3.38Å
275	E	98.8	Very high	98.6	Very high	47 Å²	47	26.2 Å²	26.2	22%	0.22	12%	0.115	C	C	.	.	H	α-helix	trans	-64.2	-35.7	174.6	177.2	122.7	-157	0	0	112.6	F213 T271 M273 K278 N279	F213-E275 HydrophobicContact CE1-CB 4.41Å; F213-E275 HydrophobicContact CE1-CG 4.2Å; T271-E275 WeakPolarHBondContact O-CB 3.48Å; T271-E275 PolarHBondContact O-N 3.16Å; M273-E275 VanDerWaalsContact C-N 3.32Å; M273-E275 PolarHBondContact O-N 2.98Å; E275-K278 WeakPolarHBondContact O-CB 3.19Å; E275-K278 PolarHBondContact O-N 2.91Å; E275-K278 IonicContact OE1-NZ 2.7Å; E275-K278 PolarHBondContact OE1-NZ 2.87Å; E275-K278 IonicContact OE2-NZ 3.75Å; E275-K278 PolarHBondContact OE2-NZ 3.47Å; E275-N279 PolarHBondContact O-N 3.12Å; E275-N279 PolarHBondContact O-ND2 3.37Å; E275-N279 PolarHBondContact O-OD1 2.81Å
276	A	98.9	Very high	98.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-64.8	-41.5	172.5	0	0	0	0	0	112	T212 A216 F238 C272 M273 D274 N279 I280	T212-A276 HydrophobicContact CG2-CB 3.91Å; A216-A276 HydrophobicContact CB-CB 3.9Å; F238-A276 HydrophobicContact CE1-CB 3.9Å; F238-A276 HydrophobicContact CZ-CB 3.66Å; C272-A276 WeakPolarHBondContact O-CB 3.35Å; C272-A276 PolarHBondContact O-N 3.41Å; M273-A276 WeakPolarHBondContact O-CB 3.44Å; M273-A276 PolarHBondContact O-N 3.32Å; M273-A276 VanDerWaalsContact O-N 3.12Å; D274-A276 VanDerWaalsContact C-N 3.35Å; D274-A276 PolarHBondContact O-N 3.29Å; A276-N279 PolarHBondContact O-N 3.43Å; A276-I280 WeakPolarHBondContact O-CG1 3.35Å; A276-I280 PolarHBondContact O-N 2.9Å
277	V	98.9	Very high	98.8	Very high	1 Å²	1	31 Å²	31	1%	0.006	14%	0.135	C	C	.	.	H	α-helix	trans	-67.3	-36.6	174.4	175.9	0	0	0	0	111.6	I55 T76 L77 L80 F238 M273 D274 N279 I280 T281 F297	I55-V277 HydrophobicContact CD1-CG1 4.11Å; I55-V277 HydrophobicContact CD1-CG2 4.09Å; I55-V277 HydrophobicContact CG2-CG2 4.19Å; T76-V277 HydrophobicContact CG2-CG1 4.34Å; L77-V277 HydrophobicContact CD2-CB 4.27Å; L77-V277 HydrophobicContact CD2-CG1 4.03Å; L77-V277 HydrophobicContact CD2-CG2 4.19Å; L80-V277 HydrophobicContact CD1-CG1 3.65Å; F238-V277 HydrophobicContact CE2-CG2 4.04Å; M273-V277 WeakPolarHBondContact O-CG2 3.28Å; M273-V277 PolarHBondContact O-N 2.89Å; M273-V277 HydrophobicContact SD-CG2 4.08Å; D274-V277 PolarHBondContact O-N 2.87Å; V277-N279 VanDerWaalsContact C-N 3.32Å; V277-N279 PolarHBondContact O-N 3.46Å; V277-I280 PolarHBondContact O-N 3.04Å; V277-T281 HydrophobicContact CG1-CG2 4.35Å; V277-T281 WeakPolarHBondContact O-CB 3.13Å; V277-T281 WeakPolarHBondContact O-CG2 3.3Å; V277-T281 PolarHBondContact O-N 3.45Å; V277-T281 PolarHBondContact O-OG1 3.06Å; V277-F297 HydrophobicContact CG2-CE2 4.33Å
278	K	98.9	Very high	98.8	Very high	77 Å²	77	33.3 Å²	33.3	34%	0.335	16%	0.159	S	C	.	.	H	α-helix	trans	-57.3	-46.3	171	-176.5	-168.1	69.9	-174.9	0	111.1	T76 D274 E275 T281 W282	T76-K278 HydrophobicContact CG2-CB 3.92Å; D274-K278 PolarHBondContact O-N 3.38Å; E275-K278 WeakPolarHBondContact O-CB 3.19Å; E275-K278 PolarHBondContact O-N 2.91Å; E275-K278 IonicContact OE1-NZ 2.7Å; E275-K278 PolarHBondContact OE1-NZ 2.87Å; E275-K278 IonicContact OE2-NZ 3.75Å; E275-K278 PolarHBondContact OE2-NZ 3.47Å; K278-T281 PolarHBondContact O-N 3.13Å; K278-T281 PolarHBondContact O-OG1 3.47Å; K278-T281 VanDerWaalsContact O-OG1 3.14Å; K278-W282 VanDerWaalsContact O-CB 3.3Å; K278-W282 WeakPolarHBondContact O-CB 3.23Å; K278-W282 PolarHBondContact O-N 3.3Å
279	N	98.9	Very high	98.8	Very high	56 Å²	56	33.3 Å²	33.3	30%	0.299	16%	0.159	S	C	.	.	H	α-helix	trans	-69.9	-38.4	-178.5	-65.2	-17.6	0	0	0	111.8	E275 A276 V277 A283	E275-N279 PolarHBondContact O-N 3.12Å; E275-N279 PolarHBondContact O-ND2 3.37Å; E275-N279 PolarHBondContact O-OD1 2.81Å; A276-N279 PolarHBondContact O-N 3.43Å; V277-N279 VanDerWaalsContact C-N 3.32Å; V277-N279 PolarHBondContact O-N 3.46Å; N279-A283 WeakPolarHBondContact O-CB 3.24Å; N279-A283 PolarHBondContact O-N 3.04Å
280	I	98.9	Very high	98.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-63.6	-48.1	173	-69.2	165.8	0	0	0	111.2	I53 A216 V219 V236 F238 A276 V277 W282 A283 L284	I53-I280 HydrophobicContact CG2-CG2 4.48Å; A216-I280 HydrophobicContact CB-CD1 4.4Å; A216-I280 HydrophobicContact CB-CG1 4.24Å; V219-I280 HydrophobicContact CB-CD1 4.42Å; V219-I280 HydrophobicContact CB-CG1 4.09Å; V219-I280 HydrophobicContact CG1-CB 4.47Å; V219-I280 HydrophobicContact CG1-CD1 4.41Å; V219-I280 HydrophobicContact CG1-CG1 3.93Å; V219-I280 HydrophobicContact CG1-CG2 3.93Å; V219-I280 HydrophobicContact CG2-CD1 4.34Å; V236-I280 HydrophobicContact CG1-CD1 4Å; V236-I280 HydrophobicContact CG2-CD1 4.4Å; F238-I280 HydrophobicContact CE2-CD1 4.45Å; F238-I280 HydrophobicContact CZ-CD1 3.89Å; A276-I280 WeakPolarHBondContact O-CG1 3.35Å; A276-I280 PolarHBondContact O-N 2.9Å; V277-I280 PolarHBondContact O-N 3.04Å; I280-W282 VanDerWaalsContact C-N 3.34Å; I280-W282 PolarHBondContact O-N 2.95Å; I280-A283 PolarHBondContact O-N 3.47Å; I280-L284 HydrophobicContact CG2-CD1 4.34Å; I280-L284 WeakPolarHBondContact O-CG 3.25Å; I280-L284 PolarHBondContact O-N 3.19Å
281	T	98.8	Very high	98.7	Very high	13 Å²	13	40 Å²	40	8%	0.08	19%	0.193	C	C	.	.	H	α-helix	trans	-69.3	-30.6	-179.4	52.4	0	0	0	0	113.1	L80 V277 K278 K285 I295	L80-T281 HydrophobicContact CD1-CG2 3.97Å; L80-T281 HydrophobicContact CD2-CG2 4.16Å; V277-T281 HydrophobicContact CG1-CG2 4.35Å; V277-T281 WeakPolarHBondContact O-CB 3.13Å; V277-T281 WeakPolarHBondContact O-CG2 3.3Å; V277-T281 PolarHBondContact O-N 3.45Å; V277-T281 PolarHBondContact O-OG1 3.06Å; K278-T281 PolarHBondContact O-N 3.13Å; K278-T281 PolarHBondContact O-OG1 3.47Å; K278-T281 VanDerWaalsContact O-OG1 3.14Å; T281-K285 WeakPolarHBondContact O-CG 3.45Å; T281-K285 PolarHBondContact O-N 3.01Å; T281-I295 HydrophobicContact CG2-CD1 3.93Å
282	W	98.8	Very high	98.7	Very high	158 Å²	158	41.8 Å²	41.8	60%	0.598	20%	0.202	S	C	*	.	H	α-helix	trans	-66.8	-42.4	168	-179.1	81.6	0	0	0	112.2	K278 I280 L284 K285 K286	K278-W282 VanDerWaalsContact O-CB 3.3Å; K278-W282 WeakPolarHBondContact O-CB 3.23Å; K278-W282 PolarHBondContact O-N 3.3Å; I280-W282 VanDerWaalsContact C-N 3.34Å; I280-W282 PolarHBondContact O-N 2.95Å; W282-L284 PolarHBondContact O-N 2.93Å; W282-K285 PolarHBondContact O-N 2.81Å; W282-K286 HydrophobicContact CE3-CD 4.49Å; W282-K286 HydrophobicContact CH2-CD 3.65Å; W282-K286 HydrophobicContact CZ2-CD 4.08Å; W282-K286 HydrophobicContact CZ3-CD 3.85Å; W282-K286 WeakPolarHBondContact O-CB 3.41Å; W282-K286 PolarHBondContact O-N 3.33Å
283	A	98.9	Very high	98.6	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-62.4	-40.7	175.6	0	0	0	0	0	112.3	L223 N279 I280 K285 K286 Y287	L223-A283 HydrophobicContact CD1-CB 3.9Å; N279-A283 WeakPolarHBondContact O-CB 3.24Å; N279-A283 PolarHBondContact O-N 3.04Å; I280-A283 PolarHBondContact O-N 3.47Å; A283-K285 VanDerWaalsContact C-N 3.28Å; A283-K285 PolarHBondContact O-N 2.87Å; A283-K286 PolarHBondContact O-N 2.88Å; A283-Y287 HydrophobicContact CB-CD2 4.24Å; A283-Y287 HydrophobicContact CB-CE2 4.2Å; A283-Y287 WeakPolarHBondContact O-CD2 3.3Å; A283-Y287 PolarHBondContact O-N 2.55Å
284	L	98.8	Very high	98.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-58.9	-37.9	173.7	-70	168.8	0	0	0	112.2	I53 L223 I280 W282 G288 Y289 Y290 I295	I53-L284 HydrophobicContact CD1-CD2 3.94Å; I53-L284 HydrophobicContact CG1-CD1 3.99Å; I53-L284 HydrophobicContact CG1-CD2 3.98Å; L223-L284 HydrophobicContact CD1-CD2 3.63Å; L223-L284 HydrophobicContact CD1-CG 3.88Å; L223-L284 HydrophobicContact CD2-CD2 3.73Å; L223-L284 HydrophobicContact CG-CD2 4.35Å; I280-L284 HydrophobicContact CG2-CD1 4.34Å; I280-L284 WeakPolarHBondContact O-CG 3.25Å; I280-L284 PolarHBondContact O-N 3.19Å; W282-L284 PolarHBondContact O-N 2.93Å; L284-G288 PolarHBondContact O-N 3.24Å; L284-Y289 HydrophobicContact CD2-CG 4.29Å; L284-Y289 PolarHBondContact O-N 2.85Å; L284-Y290 HydrophobicContact CB-CD2 4.49Å; L284-Y290 PolarHBondContact O-N 3.23Å; L284-I295 HydrophobicContact CD1-CD1 3.63Å; L284-I295 HydrophobicContact CD1-CG1 4.24Å
285	K	98.7	Very high	98.6	Very high	101 Å²	101	41.5 Å²	41.5	44%	0.439	20%	0.201	S	C	.	.	H	α-helix	trans	-71.6	-51.2	175.3	-71.4	176.6	179.9	-176.5	0	111.3	T281 W282 A283 Y287 G288 Y290	T281-K285 WeakPolarHBondContact O-CG 3.45Å; T281-K285 PolarHBondContact O-N 3.01Å; W282-K285 PolarHBondContact O-N 2.81Å; A283-K285 VanDerWaalsContact C-N 3.28Å; A283-K285 PolarHBondContact O-N 2.87Å; K285-Y287 VanDerWaalsContact C-N 3.28Å; K285-Y287 PolarHBondContact O-N 3.3Å; K285-G288 PolarHBondContact O-N 2.84Å; K285-Y290 HydrophobicContact CD-CD1 4.35Å; K285-Y290 HydrophobicContact CD-CD2 4.43Å; K285-Y290 HydrophobicContact CD-CE1 4.43Å; K285-Y290 HydrophobicContact CD-CG 4.31Å; K285-Y290 VanDerWaalsContact CE-CD1 3.48Å; K285-Y290 WeakPolarHBondContact CE-OH 3.26Å; K285-Y290 HydrophobicContact CG-CD1 3.88Å; K285-Y290 HydrophobicContact CG-CD2 3.9Å; K285-Y290 HydrophobicContact CG-CE1 4.44Å; K285-Y290 HydrophobicContact CG-CE2 4.48Å; K285-Y290 HydrophobicContact CG-CG 3.54Å; K285-Y290 PolarHBondContact NZ-OH 3.4Å
286	K	98.7	Very high	98.7	Very high	116 Å²	116	39.3 Å²	39.3	50%	0.504	19%	0.19	S	C	.	.	H	α-helix	trans	-55.8	-39.2	-178.5	-176.9	-175.8	174.8	-162.4	0	113.2	W282 A283	W282-K286 HydrophobicContact CE3-CD 4.49Å; W282-K286 HydrophobicContact CH2-CD 3.65Å; W282-K286 HydrophobicContact CZ2-CD 4.08Å; W282-K286 HydrophobicContact CZ3-CD 3.85Å; W282-K286 WeakPolarHBondContact O-CB 3.41Å; W282-K286 PolarHBondContact O-N 3.33Å; A283-K286 PolarHBondContact O-N 2.88Å
287	Y	98.6	Very high	98.7	Very high	69 Å²	69	39.4 Å²	39.4	27%	0.271	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	13.7	-176.3	-54	-56.7	0	0	0	113.8	L223 A224 A283 K285 Y289	L223-Y287 HydrophobicContact CB-CD2 3.84Å; A224-Y287 HydrophobicContact CB-CD2 4.32Å; A224-Y287 HydrophobicContact CB-CE1 4.02Å; A224-Y287 HydrophobicContact CB-CE2 3.77Å; A283-Y287 HydrophobicContact CB-CD2 4.24Å; A283-Y287 HydrophobicContact CB-CE2 4.2Å; A283-Y287 WeakPolarHBondContact O-CD2 3.3Å; A283-Y287 PolarHBondContact O-N 2.55Å; K285-Y287 VanDerWaalsContact C-N 3.28Å; K285-Y287 PolarHBondContact O-N 3.3Å; Y287-Y289 VanDerWaalsContact O-CD2 3.26Å; Y287-Y289 WeakPolarHBondContact O-CD2 3.5Å; Y287-Y289 WeakPolarHBondContact O-CE2 3.22Å
288	G	98	Very high	98.7	Very high	48 Å²	48	39.3 Å²	39.3	50%	0.495	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.8	23.7	169.1	0	0	0	0	0	116.4	L284 K285	L284-G288 PolarHBondContact O-N 3.24Å; K285-G288 PolarHBondContact O-N 2.84Å
289	Y	98.5	Very high	98.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.			trans	-93.4	-30.8	178.1	-71.2	-96.4	0	0	0	113.3	H51 L223 H226 S227 P228 I232 L284 Y287 D291 N292 S293	H51-Y289 HydrophobicContact CB-CD1 4.45Å; H51-Y289 AromaticContact CD2-CD1 3.95Å; H51-Y289 PolarHBondContact CD2-O 2.87Å; H51-Y289 AromaticContact CE1-CD1 3.72Å; H51-Y289 AromaticContact CG-CD1 3.73Å; H51-Y289 AromaticContact ND1-CD1 3.58Å; H51-Y289 AromaticContact ND1-CE1 3.95Å; H51-Y289 AromaticContact NE2-CD1 3.96Å; L223-Y289 HydrophobicContact CB-CD2 4.49Å; L223-Y289 HydrophobicContact CB-CE2 4.24Å; L223-Y289 HydrophobicContact CD2-CD1 4.02Å; L223-Y289 HydrophobicContact CD2-CD2 3.88Å; L223-Y289 HydrophobicContact CD2-CE1 4.08Å; L223-Y289 HydrophobicContact CD2-CE2 3.96Å; L223-Y289 HydrophobicContact CD2-CG 3.92Å; L223-Y289 VanDerWaalsContact O-CE2 3.32Å; L223-Y289 WeakPolarHBondContact O-CE2 3.34Å; H226-Y289 WeakPolarHBondContact CB-OH 3.49Å; H226-Y289 AromaticContact ND1-CE1 3.85Å; H226-Y289 AromaticContact ND1-CZ 3.84Å; H226-Y289 PolarHBondContact ND1-OH 2.97Å; H226-Y289 PolarHBondContact O-OH 3.26Å; S227-Y289 VanDerWaalsContact C-OH 3.28Å; S227-Y289 PolarHBondContact N-OH 3Å; P228-Y289 HydrophobicContact CB-CD1 4.16Å; P228-Y289 HydrophobicContact CB-CD2 4.13Å; P228-Y289 HydrophobicContact CB-CE1 4Å; P228-Y289 HydrophobicContact CB-CE2 3.96Å; P228-Y289 HydrophobicContact CB-CG 4.22Å; P228-Y289 HydrophobicContact CG-CE2 4.41Å; I232-Y289 HydrophobicContact CG2-CD1 3.99Å; I232-Y289 HydrophobicContact CG2-CE1 3.84Å; L284-Y289 HydrophobicContact CD2-CG 4.29Å; L284-Y289 PolarHBondContact O-N 2.85Å; Y287-Y289 VanDerWaalsContact O-CD2 3.26Å; Y287-Y289 WeakPolarHBondContact O-CD2 3.5Å; Y287-Y289 WeakPolarHBondContact O-CE2 3.22Å; Y289-D291 PolarHBondContact O-N 3.24Å; Y289-N292 CarbonylContact O-C 3.46Å; Y289-N292 PolarHBondContact O-N 2.71Å; Y289-S293 VanDerWaalsContact C-OG 3.31Å; Y289-S293 PolarHBondContact O-N 3.32Å; Y289-S293 PolarHBondContact O-OG 2.99Å
290	Y	98.6	Very high	98.6	Very high	24 Å²	24	33 Å²	33	9%	0.094	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-57.5	-42.3	-162.8	-179.9	-102.5	0	0	0	114.3	L284 K285 N292 S293 I295 H333 P335	L284-Y290 HydrophobicContact CB-CD2 4.49Å; L284-Y290 PolarHBondContact O-N 3.23Å; K285-Y290 HydrophobicContact CD-CD1 4.35Å; K285-Y290 HydrophobicContact CD-CD2 4.43Å; K285-Y290 HydrophobicContact CD-CE1 4.43Å; K285-Y290 HydrophobicContact CD-CG 4.31Å; K285-Y290 VanDerWaalsContact CE-CD1 3.48Å; K285-Y290 WeakPolarHBondContact CE-OH 3.26Å; K285-Y290 HydrophobicContact CG-CD1 3.88Å; K285-Y290 HydrophobicContact CG-CD2 3.9Å; K285-Y290 HydrophobicContact CG-CE1 4.44Å; K285-Y290 HydrophobicContact CG-CE2 4.48Å; K285-Y290 HydrophobicContact CG-CG 3.54Å; K285-Y290 PolarHBondContact NZ-OH 3.4Å; Y290-N292 PolarHBondContact O-N 3.25Å; Y290-S293 WeakPolarHBondContact O-CB 3.32Å; Y290-S293 PolarHBondContact O-N 3.48Å; Y290-I295 HydrophobicContact CD2-CD1 4.43Å; Y290-I295 HydrophobicContact CE2-CD1 4.4Å; Y290-H333 AromaticContact CE2-NE2 3.65Å; Y290-H333 AromaticContact CZ-NE2 3.43Å; Y290-H333 PolarHBondContact OH-NE2 3.31Å; Y290-P335 HydrophobicContact CD1-CG 4.19Å; Y290-P335 HydrophobicContact CE1-CG 4.01Å
291	D	97.7	Very high	98.6	Very high	116 Å²	116	33 Å²	33	62%	0.62	16%	0.16	S	C	*	.	G	3₁₀ helix	trans	-69	-21.4	-173.7	-56.8	-49.1	0	0	0	113.6	Y289	Y289-D291 PolarHBondContact O-N 3.24Å
292	N	97.9	Very high	98.6	Very high	42 Å²	42	32.5 Å²	32.5	23%	0.225	16%	0.157	C	C	.	.	G	3₁₀ helix	trans	-110.9	21.4	172.7	-172.7	48	0	0	0	112.4	P49 P50 H51 Y289 Y290	P49-N292 PolarHBondContact O-ND2 2.95Å; P50-N292 CarbonylContact C-O 3.55Å; P50-N292 VanDerWaalsContact CA-O 3.28Å; P50-N292 WeakPolarHBondContact CA-O 3.24Å; P50-N292 WeakPolarHBondContact CB-O 3.31Å; H51-N292 PolarHBondContact CD2-O 3.37Å; H51-N292 PolarHBondContact N-O 3.29Å; H51-N292 PolarHBondContact NE2-ND2 3.5Å; Y289-N292 CarbonylContact O-C 3.46Å; Y289-N292 PolarHBondContact O-N 2.71Å; Y290-N292 PolarHBondContact O-N 3.25Å
293	S	98.6	Very high	98.5	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	137.9	180	-67.6	0	0	0	0	113.2	H51 Y289 Y290 S334	H51-S293 CarbonylContact O-C 3.59Å; H51-S293 WeakPolarHBondContact O-CA 3.45Å; Y289-S293 VanDerWaalsContact C-OG 3.31Å; Y289-S293 PolarHBondContact O-N 3.32Å; Y289-S293 PolarHBondContact O-OG 2.99Å; Y290-S293 WeakPolarHBondContact O-CB 3.32Å; Y290-S293 PolarHBondContact O-N 3.48Å; S293-S334 VanDerWaalsContact O-CB 3.28Å; S293-S334 WeakPolarHBondContact O-CB 3.14Å; S293-S334 PolarHBondContact O-OG 3.07Å
294	V	98.9	Very high	98.4	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	112.2	159.4	179.4	0	0	0	0	107.7	P50 H51 I53 V296 V332 L336 L360 W377	P50-V294 HydrophobicContact CB-CG2 3.96Å; P50-V294 HydrophobicContact CG-CG2 4.19Å; H51-V294 PolarHBondContact O-N 3.32Å; I53-V294 PolarHBondContact N-O 3.46Å; V294-V296 HydrophobicContact CG1-CG2 4.29Å; V294-V332 HydrophobicContact CG1-CG1 3.87Å; V294-L336 HydrophobicContact CG2-CD1 4.37Å; V294-L360 HydrophobicContact CG1-CD1 4.44Å; V294-L360 HydrophobicContact CG2-CD1 4.43Å; V294-W377 HydrophobicContact CG1-CH2 4.33Å; V294-W377 HydrophobicContact CG1-CZ3 3.98Å; V294-W377 HydrophobicContact CG2-CH2 3.94Å; V294-W377 HydrophobicContact CG2-CZ3 4.33Å
295	I	98.9	Very high	98	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.8	177.4	-48.3	-179.2	0	0	0	107.8	I53 I55 T281 L284 Y290 V332 H333	I53-I295 HydrophobicContact CB-CG1 4.35Å; I53-I295 HydrophobicContact CB-CG2 4.42Å; I53-I295 HydrophobicContact CG2-CG2 4.47Å; I53-I295 CarbonylContact O-C 3.56Å; I53-I295 WeakPolarHBondContact O-CA 3.44Å; I55-I295 HydrophobicContact CD1-CG2 4.15Å; T281-I295 HydrophobicContact CG2-CD1 3.93Å; L284-I295 HydrophobicContact CD1-CD1 3.63Å; L284-I295 HydrophobicContact CD1-CG1 4.24Å; Y290-I295 HydrophobicContact CD2-CD1 4.43Å; Y290-I295 HydrophobicContact CE2-CD1 4.4Å; I295-V332 WeakPolarHBondContact O-CA 3.47Å; I295-H333 WeakPolarHBondContact CA-O 3.41Å; I295-H333 HydrophobicContact CB-CB 4.43Å; I295-H333 WeakPolarHBondContact CB-O 3.45Å; I295-H333 PolarHBondContact N-O 3.23Å; I295-H333 PolarHBondContact O-N 2.76Å
296	V	98.9	Very high	97.5	Very high	1 Å²	1	27.4 Å²	27.4	1%	0.006	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	134.5	172.6	-176.6	0	0	0	0	108.2	I53 F54 I55 V294 V332 W353	I53-V296 PolarHBondContact O-N 2.75Å; F54-V296 HydrophobicContact CD2-CB 3.74Å; F54-V296 HydrophobicContact CD2-CG1 3.88Å; F54-V296 HydrophobicContact CD2-CG2 4.26Å; F54-V296 HydrophobicContact CE2-CB 3.91Å; F54-V296 HydrophobicContact CE2-CG1 3.48Å; F54-V296 VanDerWaalsContact CE2-CG1 3.48Å; F54-V296 HydrophobicContact CE2-CG2 4.49Å; F54-V296 HydrophobicContact CG-CB 4.38Å; F54-V296 HydrophobicContact CZ-CG1 3.97Å; I55-V296 PolarHBondContact N-O 2.77Å; V294-V296 HydrophobicContact CG1-CG2 4.29Å; V296-V332 HydrophobicContact CG2-CG1 4.31Å; V296-V332 HydrophobicContact CG2-CG2 4.3Å; V296-W353 HydrophobicContact CG1-CD2 4.22Å; V296-W353 HydrophobicContact CG1-CE3 4.24Å; V296-W353 HydrophobicContact CG1-CH2 3.67Å; V296-W353 HydrophobicContact CG1-CZ2 3.6Å; V296-W353 HydrophobicContact CG1-CZ3 3.99Å; V296-W353 HydrophobicContact CG2-CE3 4.2Å; V296-W353 HydrophobicContact CG2-CH2 4.29Å; V296-W353 HydrophobicContact CG2-CZ3 3.88Å
297	F	98.9	Very high	97.2	Very high	1 Å²	1	22.9 Å²	22.9	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.5	171.1	-173.7	-87	0	0	0	109.6	I55 T57 L77 M273 V277 I329 G330 F331	I55-F297 HydrophobicContact CB-CD2 3.95Å; I55-F297 HydrophobicContact CG2-CD2 3.75Å; I55-F297 HydrophobicContact CG2-CE2 3.9Å; I55-F297 WeakPolarHBondContact O-CA 3.47Å; T57-F297 HydrophobicContact CG2-CE2 3.86Å; T57-F297 HydrophobicContact CG2-CZ 3.62Å; L77-F297 HydrophobicContact CD1-CE1 4.08Å; L77-F297 HydrophobicContact CD1-CE2 4.1Å; L77-F297 HydrophobicContact CD1-CZ 3.6Å; L77-F297 HydrophobicContact CD2-CD2 3.76Å; L77-F297 HydrophobicContact CD2-CE1 4.41Å; L77-F297 HydrophobicContact CD2-CE2 3.47Å; L77-F297 VanDerWaalsContact CD2-CE2 3.47Å; L77-F297 HydrophobicContact CD2-CG 4.35Å; L77-F297 HydrophobicContact CD2-CZ 3.83Å; L77-F297 HydrophobicContact CG-CE2 4.46Å; L77-F297 HydrophobicContact CG-CZ 4.39Å; M273-F297 HydrophobicContact CE-CZ 4.18Å; M273-F297 HydrophobicContact SD-CE2 3.89Å; M273-F297 HydrophobicContact SD-CZ 4Å; V277-F297 HydrophobicContact CG2-CE2 4.33Å; F297-I329 HydrophobicContact CE1-CD1 3.94Å; F297-I329 HydrophobicContact CE1-CG1 4.43Å; F297-G330 VanDerWaalsContact O-CA 3.24Å; F297-G330 WeakPolarHBondContact O-CA 3.35Å; F297-F331 HydrophobicContact CB-CD1 3.92Å; F297-F331 HydrophobicContact CB-CD2 3.99Å; F297-F331 HydrophobicContact CB-CE1 3.55Å; F297-F331 HydrophobicContact CB-CE2 3.61Å; F297-F331 HydrophobicContact CB-CG 4.13Å; F297-F331 HydrophobicContact CB-CZ 3.39Å; F297-F331 HydrophobicContact CD1-CD1 4.01Å; F297-F331 AromaticContact CD1-CE1 3.56Å; F297-F331 HydrophobicContact CD1-CE1 3.56Å; F297-F331 HydrophobicContact CD1-CZ 4.17Å; F297-F331 HydrophobicContact CD2-CE1 4.35Å; F297-F331 HydrophobicContact CD2-CZ 4.19Å; F297-F331 HydrophobicContact CE1-CE1 4.38Å; F297-F331 HydrophobicContact CG-CD1 4.21Å; F297-F331 AromaticContact CG-CE1 3.55Å; F297-F331 HydrophobicContact CG-CE1 3.55Å; F297-F331 HydrophobicContact CG-CE2 4.39Å; F297-F331 AromaticContact CG-CZ 3.66Å; F297-F331 HydrophobicContact CG-CZ 3.66Å; F297-F331 PolarHBondContact N-O 3.11Å; F297-F331 PolarHBondContact O-N 2.88Å; F297-F331 VanDerWaalsContact O-N 3.1Å
298	S	98.9	Very high	96.9	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	149.5	-179.1	-172.9	0	0	0	0	109.9	I55 L56 T57 Y90	I55-S298 PolarHBondContact O-N 3.4Å; L56-S298 CarbonylContact C-O 3.59Å; L56-S298 VanDerWaalsContact CA-O 3.3Å; L56-S298 WeakPolarHBondContact CA-O 3.39Å; T57-S298 PolarHBondContact N-O 2.96Å; T57-S298 PolarHBondContact OG1-O 3.21Å; Y90-S298 VanDerWaalsContact CE1-OG 3.31Å; Y90-S298 WeakPolarHBondContact CE1-OG 3.25Å; Y90-S298 PolarHBondContact OH-OG 3.19Å
299	T	98.9	Very high	96.9	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.006	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	162.2	153	-170.1	0	0	0	0	109.9	L56 T57 Q60 I92 N301 I329	L56-T299 WeakPolarHBondContact CD1-O 3.29Å; T57-T299 CarbonylContact O-C 3.6Å; Q60-T299 PolarHBondContact N-OG1 3.49Å; Q60-T299 WeakPolarHBondContact O-CB 3.42Å; Q60-T299 PolarHBondContact O-OG1 2.82Å; Q60-T299 VanDerWaalsContact O-OG1 3.06Å; I92-T299 HydrophobicContact CG1-CG2 4.36Å; T299-N301 PolarHBondContact OG1-O 3.34Å; T299-I329 HydrophobicContact CG2-CG1 3.9Å; T299-I329 PolarHBondContact N-O 3.39Å
300	D	98.6	Very high	96.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.092	C	C	.	.	S	Bend	trans	-89.5	-32.9	170.5	80.3	-21.3	0	0	0	113.1	L56 T57 D58 D59 Q93 C96 S99 R100	L56-D300 HydrophobicContact CD1-CB 3.85Å; L56-D300 HydrophobicContact CD2-CB 3.88Å; L56-D300 HydrophobicContact CG-CB 3.93Å; T57-D300 PolarHBondContact O-N 3.21Å; D58-D300 WeakPolarHBondContact CA-OD1 3.26Å; D59-D300 PolarHBondContact N-OD1 3.21Å; Q93-D300 VanDerWaalsContact O-O 3.1Å; C96-D300 VanDerWaalsContact CA-OD2 3.23Å; C96-D300 WeakPolarHBondContact CA-OD2 3.38Å; C96-D300 WeakPolarHBondContact CB-OD2 3.47Å; C96-D300 PolarHBondContact SG-OD2 2.87Å; C96-D300 VanDerWaalsContact SG-OD2 3.4Å; S99-D300 WeakPolarHBondContact CB-O 3.35Å; S99-D300 PolarHBondContact OG-O 2.95Å; R100-D300 IonicContact CZ-OD2 3.25Å; R100-D300 IonicContact NE-OD2 2.68Å; R100-D300 PolarHBondContact NE-OD2 3.45Å; R100-D300 IonicContact NH2-OD2 2.92Å; R100-D300 PolarHBondContact NH2-OD2 2.83Å
301	N	98.8	Very high	96.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.088	C	C	.	.	S	Bend	trans	-146.2	162.9	170.8	53.1	-133.7	0	0	0	112.2	D59 Q93 P94 I95 C96 T299 K318	D59-N301 PolarHBondContact OD1-ND2 3.4Å; Q93-N301 VanDerWaalsContact O-CB 3.3Å; Q93-N301 WeakPolarHBondContact O-CB 3.45Å; P94-N301 VanDerWaalsContact C-CB 3.45Å; P94-N301 WeakPolarHBondContact O-CB 3.48Å; I95-N301 VanDerWaalsContact CA-OD1 3.27Å; I95-N301 WeakPolarHBondContact CA-OD1 3.48Å; C96-N301 PolarHBondContact N-OD1 2.91Å; C96-N301 VanDerWaalsContact N-OD1 3.11Å; C96-N301 PolarHBondContact SG-OD1 3.36Å; T299-N301 PolarHBondContact OG1-O 3.34Å; N301-K318 WeakPolarHBondContact OD1-CE 3.36Å
302	G	98.3	Very high	96.7	Very high	1 Å²	1	14.7 Å²	14.7	1%	0.01	7%	0.072	C	C	.	.			trans	-52.8	156.1	167.9	0	0	0	0	0	112.3	K318 G324 G325	G302-K318 WeakPolarHBondContact O-CB 3.43Å; G302-G324 WeakPolarHBondContact CA-O 3.38Å; G302-G325 PolarHBondContact N-O 2.99Å; G302-G325 VanDerWaalsContact N-O 3.12Å
303	G	97.5	Very high	96.6	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	7%	0.072	C	C	.	.			trans	-70.8	148.3	-169.5	0	0	0	0	0	113.3	D59 N311 R317 K318	D59-G303 WeakPolarHBondContact O-CA 3.43Å; G303-N311 PolarHBondContact N-OD1 2.82Å; G303-N311 PolarHBondContact O-ND2 2.8Å; G303-R317 WeakPolarHBondContact O-CB 3.41Å; G303-K318 PolarHBondContact O-N 2.85Å
304	Q	94.8	Very high	96.6	Very high	35 Å²	35	14.5 Å²	14.5	16%	0.164	7%	0.072	C	C	.	.			trans	-88.2	105.7	171.7	-179.7	51.9	-100	0	0	110.7	F306 S307 G308 G309 K318	Q304-F306 PolarHBondContact O-N 3.22Å; Q304-S307 WeakPolarHBondContact CG-OG 3.5Å; Q304-S307 CarbonylContact O-C 3.57Å; Q304-S307 WeakPolarHBondContact O-CA 3.32Å; Q304-S307 PolarHBondContact O-N 3.09Å; Q304-G308 PolarHBondContact O-N 2.86Å; Q304-G309 PolarHBondContact O-N 2.89Å; Q304-K318 HydrophobicContact CB-CB 4.22Å; Q304-K318 HydrophobicContact CB-CD 4.22Å
305	T	91.9	Very high	96.4	Very high	12 Å²	12	14.6 Å²	14.6	7%	0.074	7%	0.073	C	C	.	.	G	3₁₀ helix	trans	-66.4	-33.7	-174.1	55.8	0	0	0	0	113.8	S307 G308 G309 R317 I440	T305-S307 PolarHBondContact O-N 3.18Å; T305-S307 VanDerWaalsContact O-N 3.13Å; T305-G308 PolarHBondContact O-N 3.37Å; T305-G308 VanDerWaalsContact O-N 3.17Å; T305-G309 WeakPolarHBondContact CA-O 3.48Å; T305-R317 HydrophobicContact CG2-CB 4.22Å; T305-R317 WeakPolarHBondContact OG1-CD 3.32Å; T305-I440 HydrophobicContact CG2-CB 4.13Å; T305-I440 HydrophobicContact CG2-CD1 3.97Å; T305-I440 HydrophobicContact CG2-CG2 4.16Å; T305-I440 VanDerWaalsContact OG1-CD1 3.29Å; T305-I440 WeakPolarHBondContact OG1-CD1 3.27Å
306	F	87.2	Confident	96.2	Very high	107 Å²	107	14.7 Å²	14.7	47%	0.469	7%	0.074	S	C	.	.	G	3₁₀ helix	trans	-69.9	-5.3	172.5	-63.5	-8.3	0	0	0	113.1	Q304 W453	Q304-F306 PolarHBondContact O-N 3.22Å; F306-W453 HydrophobicContact CE1-CH2 4.12Å; F306-W453 HydrophobicContact CE1-CZ3 4.1Å
307	S	92	Very high	96	Very high	20 Å²	20	15.2 Å²	15.2	14%	0.14	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-116.7	14.9	176	-54.9	0	0	0	0	112.6	T243 L245 Y266 Q304 T305	T243-S307 VanDerWaalsContact CG2-OG 3.22Å; T243-S307 WeakPolarHBondContact CG2-OG 3.38Å; L245-S307 WeakPolarHBondContact CD1-O 3.47Å; L245-S307 VanDerWaalsContact CD2-O 3.31Å; L245-S307 WeakPolarHBondContact CD2-O 3.36Å; Y266-S307 VanDerWaalsContact CD2-O 3.32Å; Y266-S307 WeakPolarHBondContact CD2-O 3.43Å; Q304-S307 WeakPolarHBondContact CG-OG 3.5Å; Q304-S307 CarbonylContact O-C 3.57Å; Q304-S307 WeakPolarHBondContact O-CA 3.32Å; Q304-S307 PolarHBondContact O-N 3.09Å; T305-S307 PolarHBondContact O-N 3.18Å; T305-S307 VanDerWaalsContact O-N 3.13Å
308	G	94	Very high	95.9	Very high	2 Å²	2	16.7 Å²	16.7	2%	0.021	8%	0.082	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.2	-13.3	169.9	0	0	0	0	0	115.8	R263 Q304 T305	R263-G308 WeakPolarHBondContact CB-O 3.5Å; R263-G308 VanDerWaalsContact CG-O 3.28Å; R263-G308 WeakPolarHBondContact CG-O 3.44Å; R263-G308 PolarHBondContact NH1-O 2.72Å; Q304-G308 PolarHBondContact O-N 2.86Å; T305-G308 PolarHBondContact O-N 3.37Å; T305-G308 VanDerWaalsContact O-N 3.17Å
309	G	96.3	Very high	95.7	Very high	6 Å²	6	18.4 Å²	18.4	6%	0.062	10%	0.1	C	C	.	.			trans	-68.4	166.6	171.7	0	0	0	0	0	112.9	D64 Y266 Q304 T305	D64-G309 WeakPolarHBondContact OD2-CA 3.46Å; Y266-G309 VanDerWaalsContact CE1-CA 3.49Å; Q304-G309 PolarHBondContact O-N 2.89Å; T305-G309 WeakPolarHBondContact CA-O 3.48Å
310	S	97.2	Very high	95.5	Very high	3 Å²	3	18.4 Å²	18.4	2%	0.021	10%	0.1	C	C	.	.			trans	-145.8	141.2	176.4	-177.4	0	0	0	0	111	G61 Y62 H63 D64 W312	G61-S310 CarbonylContact C-O 3.52Å; G61-S310 VanDerWaalsContact C-O 3.25Å; G61-S310 WeakPolarHBondContact CA-O 3.32Å; Y62-S310 PolarHBondContact N-O 3.01Å; H63-S310 WeakPolarHBondContact CA-O 3.49Å; H63-S310 WeakPolarHBondContact CB-O 3.18Å; H63-S310 PolarHBondContact N-O 2.75Å; D64-S310 PolarHBondContact OD1-N 2.78Å; D64-S310 PolarHBondContact OD2-N 2.82Å; S310-W312 PolarHBondContact OG-N 3.04Å
311	N	97.8	Very high	95.5	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.016	10%	0.101	C	C	.	.			trans	-110.4	8.7	176.1	-52.5	-58.4	0	0	0	112.2	G61 Y62 G303 L314 G316 R317 G324	G61-N311 WeakPolarHBondContact CA-OD1 3.4Å; Y62-N311 PolarHBondContact N-OD1 3.28Å; Y62-N311 VanDerWaalsContact N-OD1 3.14Å; G303-N311 PolarHBondContact N-OD1 2.82Å; G303-N311 PolarHBondContact O-ND2 2.8Å; N311-L314 HydrophobicContact CB-CB 4.46Å; N311-L314 WeakPolarHBondContact O-CA 3.39Å; N311-L314 WeakPolarHBondContact O-CB 3.24Å; N311-L314 WeakPolarHBondContact O-CG 3.48Å; N311-L314 PolarHBondContact O-N 2.94Å; N311-G316 PolarHBondContact ND2-O 3.1Å; N311-R317 WeakPolarHBondContact ND2-CA 3.4Å; N311-G324 PolarHBondContact ND2-O 2.95Å; N311-G324 VanDerWaalsContact ND2-O 3.1Å; N311-G324 PolarHBondContact OD1-O 3.22Å
312	W	96.3	Very high	95.4	Very high	72 Å²	72	18.9 Å²	18.9	27%	0.273	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	137.7	-173	-177.4	-97.6	0	0	0	112.7	H63 S310 W439 P441 P442	H63-W312 HydrophobicContact CB-CB 4.34Å; H63-W312 WeakPolarHBondContact CB-O 3.17Å; H63-W312 PolarHBondContact ND1-O 3.01Å; S310-W312 PolarHBondContact OG-N 3.04Å; W312-W439 HydrophobicContact CE3-CB 4.43Å; W312-W439 HydrophobicContact CZ3-CB 3.91Å; W312-P441 HydrophobicContact CD2-CB 4.24Å; W312-P441 HydrophobicContact CD2-CG 4.39Å; W312-P441 HydrophobicContact CE3-CB 4.09Å; W312-P441 HydrophobicContact CE3-CG 3.81Å; W312-P441 HydrophobicContact CH2-CG 4Å; W312-P441 HydrophobicContact CZ3-CB 4.32Å; W312-P441 HydrophobicContact CZ3-CG 3.59Å; W312-P442 HydrophobicContact CB-CG 4.17Å; W312-P442 HydrophobicContact CG-CG 4.33Å
313	P	96	Very high	95.4	Very high	34 Å²	34	18.9 Å²	18.9	22%	0.221	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.7	16.5	2.1	36.8	-37.4	0	0	0	115.2	W439 Y476	P313-W439 VanDerWaalsContact O-CD1 3.28Å; P313-Y476 HydrophobicContact CB-CD1 4.42Å; P313-Y476 HydrophobicContact CB-CE1 4.37Å; P313-Y476 HydrophobicContact CG-CD1 3.97Å; P313-Y476 HydrophobicContact CG-CE1 3.48Å; P313-Y476 VanDerWaalsContact CG-CE1 3.48Å; P313-Y476 HydrophobicContact CG-CE2 4.06Å; P313-Y476 HydrophobicContact CG-CG 4.49Å
314	L	97.7	Very high	95.5	Very high	3 Å²	3	18.9 Å²	18.9	2%	0.016	10%	0.101	C	C	.	.	S	Bend	trans	-67.8	153.6	175.8	-47.8	-177.4	0	0	0	111.8	Y62 N311 E323 R327 Y476	Y62-L314 HydrophobicContact CD1-CD1 3.83Å; Y62-L314 HydrophobicContact CD1-CG 3.96Å; Y62-L314 HydrophobicContact CD2-CD1 3.73Å; Y62-L314 HydrophobicContact CE1-CD1 4.39Å; Y62-L314 HydrophobicContact CE1-CG 4.47Å; Y62-L314 HydrophobicContact CE2-CD1 4.28Å; Y62-L314 HydrophobicContact CG-CD1 3.47Å; Y62-L314 VanDerWaalsContact CG-CD1 3.47Å; Y62-L314 HydrophobicContact CG-CG 4.1Å; N311-L314 HydrophobicContact CB-CB 4.46Å; N311-L314 WeakPolarHBondContact O-CA 3.39Å; N311-L314 WeakPolarHBondContact O-CB 3.24Å; N311-L314 WeakPolarHBondContact O-CG 3.48Å; N311-L314 PolarHBondContact O-N 2.94Å; L314-E323 HydrophobicContact CB-CB 4.14Å; L314-E323 HydrophobicContact CD1-CB 4.25Å; L314-E323 HydrophobicContact CD2-CB 4.28Å; L314-E323 HydrophobicContact CG-CB 4.47Å; L314-R327 HydrophobicContact CD1-CB 3.99Å; L314-R327 HydrophobicContact CD1-CG 4.39Å; L314-Y476 HydrophobicContact CD2-CD1 3.92Å; L314-Y476 HydrophobicContact CD2-CE1 4.16Å
315	R	96	Very high	95.6	Very high	4 Å²	4	17.2 Å²	17.2	2%	0.015	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-79.4	141.3	178.3	-164.7	172.2	-170.3	176.5	-6.7	111.7	W322 G324 S437 W439 E477	R315-W322 HydrophobicContact CB-CB 4.15Å; R315-W322 HydrophobicContact CG-CB 4.32Å; R315-W322 HydrophobicContact CG-CD2 4.25Å; R315-W322 HydrophobicContact CG-CE3 4.36Å; R315-W322 HydrophobicContact CG-CG 4.22Å; R315-W322 WeakPolarHBondContact O-CB 3.4Å; R315-G324 WeakPolarHBondContact O-CA 3.39Å; R315-G324 PolarHBondContact O-N 3.38Å; R315-S437 VanDerWaalsContact CG-O 3.3Å; R315-S437 WeakPolarHBondContact CG-O 3.34Å; R315-S437 PolarHBondContact NE-O 3.29Å; R315-S437 PolarHBondContact NH2-OG 3.34Å; R315-W439 HydrophobicContact CB-CD2 4.24Å; R315-W439 HydrophobicContact CB-CG 4.38Å; R315-W439 HydrophobicContact CB-CZ2 4.16Å; R315-W439 VanDerWaalsContact CD-CZ2 3.43Å; R315-W439 HydrophobicContact CG-CD2 3.85Å; R315-W439 HydrophobicContact CG-CE3 4.27Å; R315-W439 HydrophobicContact CG-CG 4.33Å; R315-W439 HydrophobicContact CG-CH2 4.31Å; R315-W439 HydrophobicContact CG-CZ2 3.87Å; R315-W439 HydrophobicContact CG-CZ3 4.48Å; R315-W439 VanDerWaalsContact CZ-CH2 3.43Å; R315-E477 HydrophobicContact CB-CB 4.29Å; R315-E477 PolarHBondContact NH1-O 3.39Å
316	G	94.8	Very high	96	Very high	3 Å²	3	16.6 Å²	16.6	3%	0.031	9%	0.09	C	C	.	.			trans	72.1	-158.4	173.3	0	0	0	0	0	115.2	N311 Y436 D438	N311-G316 PolarHBondContact ND2-O 3.1Å; G316-Y436 WeakPolarHBondContact CA-O 3.41Å; G316-D438 WeakPolarHBondContact CA-O 3.48Å; G316-D438 PolarHBondContact N-O 3.11Å
317	R	94.9	Very high	96.5	Very high	13 Å²	13	12.2 Å²	12.2	5%	0.049	7%	0.07	C	C	.	.			trans	-165.2	-176.3	-163.7	58.8	179.3	177.2	155.9	-9	113.8	G303 T305 N311 G319 T320 G324 G325 Y436	G303-R317 WeakPolarHBondContact O-CB 3.41Å; T305-R317 HydrophobicContact CG2-CB 4.22Å; T305-R317 WeakPolarHBondContact OG1-CD 3.32Å; N311-R317 WeakPolarHBondContact ND2-CA 3.4Å; R317-G319 PolarHBondContact O-N 3.25Å; R317-T320 HydrophobicContact CG-CG2 4.06Å; R317-T320 PolarHBondContact N-OG1 3.26Å; R317-T320 WeakPolarHBondContact O-CB 3.15Å; R317-T320 PolarHBondContact O-N 2.84Å; R317-T320 VanDerWaalsContact O-N 3.08Å; R317-T320 PolarHBondContact O-OG1 3.16Å; R317-G324 CarbonylContact C-O 3.59Å; R317-G324 WeakPolarHBondContact CA-O 3.48Å; R317-G325 WeakPolarHBondContact O-CA 3.21Å; R317-Y436 VanDerWaalsContact NH2-CD2 3.29Å
318	K	96.1	Very high	96.8	Very high	31 Å²	31	11.3 Å²	11.3	14%	0.135	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-40.5	131.6	166.2	-175.6	171.7	-177.9	166.6	0	112.1	D59 I95 H242 N301 G302 G303 Q304	D59-K318 VanDerWaalsContact OD1-CD 3.3Å; D59-K318 WeakPolarHBondContact OD1-CD 3.31Å; D59-K318 VanDerWaalsContact OD1-CE 3.31Å; D59-K318 WeakPolarHBondContact OD1-CE 3.46Å; D59-K318 IonicContact OD1-NZ 3.54Å; D59-K318 PolarHBondContact OD1-NZ 3.43Å; D59-K318 VanDerWaalsContact OD2-CD 3.25Å; D59-K318 WeakPolarHBondContact OD2-CD 3.35Å; D59-K318 IonicContact OD2-NZ 2.77Å; D59-K318 PolarHBondContact OD2-NZ 2.88Å; I95-K318 HydrophobicContact CG2-CG 4.31Å; H242-K318 PolarHBondContact CD2-NZ 2.88Å; H242-K318 PolarHBondContact NE2-NZ 3.29Å; N301-K318 WeakPolarHBondContact OD1-CE 3.36Å; G302-K318 WeakPolarHBondContact O-CB 3.43Å; G303-K318 PolarHBondContact O-N 2.85Å; Q304-K318 HydrophobicContact CB-CB 4.22Å; Q304-K318 HydrophobicContact CB-CD 4.22Å
319	G	94.6	Very high	97	Very high	36 Å²	36	11.3 Å²	11.3	37%	0.371	6%	0.063	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.4	11.1	-179.9	0	0	0	0	0	115.1	P94 R317	P94-G319 PolarHBondContact O-N 2.95Å; R317-G319 PolarHBondContact O-N 3.25Å
320	T	95.7	Very high	97.1	Very high	2 Å²	2	11.1 Å²	11.1	1%	0.012	6%	0.061	C	C	.	.			trans	-125.5	151	179.6	74.9	0	0	0	0	111.3	P94 R317 W322 G325 P434	P94-T320 VanDerWaalsContact CB-O 3.25Å; P94-T320 WeakPolarHBondContact CB-O 3.22Å; R317-T320 HydrophobicContact CG-CG2 4.06Å; R317-T320 PolarHBondContact N-OG1 3.26Å; R317-T320 WeakPolarHBondContact O-CB 3.15Å; R317-T320 PolarHBondContact O-N 2.84Å; R317-T320 VanDerWaalsContact O-N 3.08Å; R317-T320 PolarHBondContact O-OG1 3.16Å; T320-W322 VanDerWaalsContact C-N 3.33Å; T320-G325 WeakPolarHBondContact O-CA 3.47Å; T320-P434 CarbonylContact C-O 3.5Å; T320-P434 WeakPolarHBondContact CA-O 3.45Å; T320-P434 VanDerWaalsContact CB-O 3.28Å; T320-P434 WeakPolarHBondContact CB-O 3.48Å
321	Y	96.8	Very high	97.2	Very high	7 Å²	7	11 Å²	11	3%	0.027	6%	0.06	C	C	.	.	S	Bend	trans	-88.7	-2.8	-175.5	-70.4	11.6	0	0	0	113.1	P94 N394 Q419 S421 K428 P434	P94-Y321 HydrophobicContact CG-CD1 3.79Å; P94-Y321 HydrophobicContact CG-CE1 3.75Å; Y321-N394 HydrophobicContact CE2-CB 4.06Å; Y321-N394 PolarHBondContact OH-ND2 2.85Å; Y321-Q419 HydrophobicContact CD2-CG 4.04Å; Y321-Q419 HydrophobicContact CE2-CG 3.55Å; Y321-Q419 PolarHBondContact OH-OE1 3.01Å; Y321-S421 VanDerWaalsContact CD2-CB 3.44Å; Y321-K428 WeakPolarHBondContact O-CE 3.43Å; Y321-K428 PolarHBondContact O-NZ 3.36Å; Y321-P434 PolarHBondContact N-O 2.93Å
322	W	98.1	Very high	97.3	Very high	3 Å²	3	10.8 Å²	10.8	1%	0.011	6%	0.059	C	C	.	.	S	Bend	trans	-60.7	158.8	167.3	-52.6	113.9	0	0	0	111.9	R315 T320 G324 G325 V326 L430 P434 G435 S437 W467 F469 E477	R315-W322 HydrophobicContact CB-CB 4.15Å; R315-W322 HydrophobicContact CG-CB 4.32Å; R315-W322 HydrophobicContact CG-CD2 4.25Å; R315-W322 HydrophobicContact CG-CE3 4.36Å; R315-W322 HydrophobicContact CG-CG 4.22Å; R315-W322 WeakPolarHBondContact O-CB 3.4Å; T320-W322 VanDerWaalsContact C-N 3.33Å; W322-G324 VanDerWaalsContact C-N 3.25Å; W322-G324 PolarHBondContact O-N 2.77Å; W322-G325 WeakPolarHBondContact O-CA 3.33Å; W322-G325 PolarHBondContact O-N 2.74Å; W322-V326 PolarHBondContact O-N 3.22Å; W322-V326 VanDerWaalsContact O-N 3.12Å; W322-L430 HydrophobicContact CD2-CD2 4.33Å; W322-L430 HydrophobicContact CE3-CD2 4Å; W322-L430 HydrophobicContact CZ3-CD1 4.38Å; W322-L430 HydrophobicContact CZ3-CD2 4.25Å; W322-P434 HydrophobicContact CD2-CB 4.37Å; W322-P434 HydrophobicContact CH2-CB 4.5Å; W322-P434 HydrophobicContact CH2-CG 4.32Å; W322-P434 HydrophobicContact CZ2-CB 3.76Å; W322-P434 HydrophobicContact CZ2-CG 3.86Å; W322-G435 PolarHBondContact NE1-O 3.48Å; W322-S437 VanDerWaalsContact NE1-CB 3.34Å; W322-W467 AromaticContact CH2-CD2 3.98Å; W322-W467 HydrophobicContact CH2-CD2 3.98Å; W322-W467 HydrophobicContact CH2-CE3 4.43Å; W322-W467 HydrophobicContact CH2-CG 4.11Å; W322-F469 AromaticContact CZ3-CE2 3.73Å; W322-F469 HydrophobicContact CZ3-CE2 3.73Å; W322-F469 AromaticContact CZ3-CZ 4Å; W322-F469 HydrophobicContact CZ3-CZ 4Å; W322-E477 VanDerWaalsContact CA-OE2 3.29Å; W322-E477 WeakPolarHBondContact CA-OE2 3.33Å; W322-E477 WeakPolarHBondContact CB-OE2 3.27Å; W322-E477 HydrophobicContact CE3-CB 4.34Å
323	E	98.7	Very high	97.4	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	5%	0.048	C	C	.	.	H	α-helix	trans	-54.3	-38.6	-176.5	-71.5	-63	89.8	0	0	112.6	Y91 L314 G325 V326 R327 K428 I471 E477	Y91-E323 WeakPolarHBondContact CE1-OE1 3.45Å; Y91-E323 WeakPolarHBondContact CE1-OE2 3.34Å; Y91-E323 PolarHBondContact OH-OE2 3.13Å; L314-E323 HydrophobicContact CB-CB 4.14Å; L314-E323 HydrophobicContact CD1-CB 4.25Å; L314-E323 HydrophobicContact CD2-CB 4.28Å; L314-E323 HydrophobicContact CG-CB 4.47Å; E323-G325 PolarHBondContact O-N 2.98Å; E323-G325 VanDerWaalsContact O-N 3.15Å; E323-V326 PolarHBondContact O-N 2.87Å; E323-R327 HydrophobicContact CB-CB 4.38Å; E323-R327 WeakPolarHBondContact O-CA 3.18Å; E323-R327 WeakPolarHBondContact O-CB 3.16Å; E323-R327 PolarHBondContact O-N 3.34Å; E323-R327 WeakPolarHBondContact OE2-CD 3.35Å; E323-R327 IonicContact OE2-CZ 3.13Å; E323-R327 IonicContact OE2-NH1 3.11Å; E323-R327 PolarHBondContact OE2-NH1 3.31Å; E323-R327 VanDerWaalsContact OE2-NH1 3.16Å; E323-K428 IonicContact OE1-NZ 2.76Å; E323-K428 PolarHBondContact OE1-NZ 2.82Å; E323-I471 HydrophobicContact CG-CD1 4.05Å; E323-I471 WeakPolarHBondContact OE2-CG2 3.31Å; E323-E477 HydrophobicContact CG-CG 4.01Å; E323-E477 PolarHBondContact N-OE2 3.11Å
324	G	98.4	Very high	97.5	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-69.7	-5	176.5	0	0	0	0	0	114.9	G302 N311 R315 R317 W322	G302-G324 WeakPolarHBondContact CA-O 3.38Å; N311-G324 PolarHBondContact ND2-O 2.95Å; N311-G324 VanDerWaalsContact ND2-O 3.1Å; N311-G324 PolarHBondContact OD1-O 3.22Å; R315-G324 WeakPolarHBondContact O-CA 3.39Å; R315-G324 PolarHBondContact O-N 3.38Å; R317-G324 CarbonylContact C-O 3.59Å; R317-G324 WeakPolarHBondContact CA-O 3.48Å; W322-G324 VanDerWaalsContact C-N 3.25Å; W322-G324 PolarHBondContact O-N 2.77Å
325	G	98.2	Very high	97.5	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-101.4	-39.4	165.7	0	0	0	0	0	113.7	I92 G302 R317 T320 W322 E323	I92-G325 VanDerWaalsContact CD1-O 3.26Å; I92-G325 WeakPolarHBondContact CD1-O 3.32Å; G302-G325 PolarHBondContact N-O 2.99Å; G302-G325 VanDerWaalsContact N-O 3.12Å; R317-G325 WeakPolarHBondContact O-CA 3.21Å; T320-G325 WeakPolarHBondContact O-CA 3.47Å; W322-G325 WeakPolarHBondContact O-CA 3.33Å; W322-G325 PolarHBondContact O-N 2.74Å; E323-G325 PolarHBondContact O-N 2.98Å; E323-G325 VanDerWaalsContact O-N 3.15Å
326	V	98.7	Very high	97.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-105.9	-14.7	-169.5	-58	0	0	0	0	116.2	Y91 I92 P94 W322 E323	Y91-V326 VanDerWaalsContact CA-O 3.31Å; Y91-V326 WeakPolarHBondContact CA-O 3.26Å; Y91-V326 HydrophobicContact CD1-CB 4.44Å; Y91-V326 HydrophobicContact CD1-CG2 4.07Å; Y91-V326 VanDerWaalsContact CD1-O 3.25Å; Y91-V326 WeakPolarHBondContact CD1-O 3.47Å; Y91-V326 HydrophobicContact CE1-CG2 4.24Å; I92-V326 WeakPolarHBondContact CD1-O 3.43Å; I92-V326 PolarHBondContact N-O 3.44Å; I92-V326 VanDerWaalsContact O-O 3.13Å; P94-V326 HydrophobicContact CB-CG1 4.14Å; P94-V326 HydrophobicContact CG-CG1 4.34Å; W322-V326 PolarHBondContact O-N 3.22Å; W322-V326 VanDerWaalsContact O-N 3.12Å; E323-V326 PolarHBondContact O-N 2.87Å
327	R	98.8	Very high	97.7	Very high	15 Å²	15	8.3 Å²	8.3	6%	0.057	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-95.4	113.3	177.9	-165.9	-175.6	-170	144.9	-11.1	109.5	Y62 E88 Y90 Y91 L314 E323	Y62-R327 HydrophobicContact CE2-CG 4.29Å; E88-R327 PolarHBondContact O-NE 3.49Å; E88-R327 VanDerWaalsContact O-NE 3.11Å; E88-R327 PolarHBondContact O-NH2 2.71Å; Y90-R327 WeakPolarHBondContact O-CA 3.37Å; Y91-R327 HydrophobicContact CD1-CB 4.26Å; Y91-R327 HydrophobicContact CE1-CB 3.82Å; Y91-R327 HydrophobicContact CE1-CG 4Å; L314-R327 HydrophobicContact CD1-CB 3.99Å; L314-R327 HydrophobicContact CD1-CG 4.39Å; E323-R327 HydrophobicContact CB-CB 4.38Å; E323-R327 WeakPolarHBondContact O-CA 3.18Å; E323-R327 WeakPolarHBondContact O-CB 3.16Å; E323-R327 PolarHBondContact O-N 3.34Å; E323-R327 WeakPolarHBondContact OE2-CD 3.35Å; E323-R327 IonicContact OE2-CZ 3.13Å; E323-R327 IonicContact OE2-NH1 3.11Å; E323-R327 PolarHBondContact OE2-NH1 3.31Å; E323-R327 VanDerWaalsContact OE2-NH1 3.16Å
328	G	98.3	Very high	97.9	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.076	C	C	.	.			trans	-90.7	149.3	-172.6	0	0	0	0	0	112.8	Y90	Y90-G328 PolarHBondContact O-N 2.85Å
329	I	98.3	Very high	98	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.01	10%	0.099	C	C	.	.			trans	-65.1	140.2	155	60.9	175.9	0	0	0	109.3	Q60 Y62 V65 F297 T299	Q60-I329 HydrophobicContact CB-CD1 3.99Å; Q60-I329 HydrophobicContact CG-CD1 3.59Å; Y62-I329 HydrophobicContact CD2-CG2 4.21Å; V65-I329 HydrophobicContact CG1-CD1 3.77Å; V65-I329 HydrophobicContact CG2-CG2 4.09Å; F297-I329 HydrophobicContact CE1-CD1 3.94Å; F297-I329 HydrophobicContact CE1-CG1 4.43Å; T299-I329 HydrophobicContact CG2-CG1 3.9Å; T299-I329 PolarHBondContact N-O 3.39Å
330	G	98.6	Very high	98.1	Very high	2 Å²	2	23.2 Å²	23.2	2%	0.021	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.9	144	177.6	0	0	0	0	0	113.9	L87 F297	L87-G330 PolarHBondContact N-O 3.07Å; F297-G330 VanDerWaalsContact O-CA 3.24Å; F297-G330 WeakPolarHBondContact O-CA 3.35Å
331	F	98.9	Very high	98.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	158.5	170.7	64.3	-100.8	0	0	0	111.3	Y67 L77 L80 A81 V85 F297 H333	Y67-F331 HydrophobicContact CE1-CD1 4.18Å; Y67-F331 HydrophobicContact CE1-CE1 4.41Å; L77-F331 HydrophobicContact CB-CE1 4.1Å; L77-F331 HydrophobicContact CB-CZ 4.45Å; L77-F331 HydrophobicContact CD2-CE1 4.15Å; L77-F331 HydrophobicContact CD2-CZ 3.99Å; L80-F331 HydrophobicContact CB-CD2 4.38Å; L80-F331 HydrophobicContact CB-CE2 3.51Å; L80-F331 HydrophobicContact CB-CZ 3.77Å; L80-F331 HydrophobicContact CD1-CE2 4.4Å; L80-F331 HydrophobicContact CD1-CZ 4.31Å; A81-F331 HydrophobicContact CB-CB 4.14Å; A81-F331 HydrophobicContact CB-CD1 3.78Å; A81-F331 HydrophobicContact CB-CE1 4.29Å; A81-F331 HydrophobicContact CB-CG 3.91Å; V85-F331 CarbonylContact O-C 3.56Å; V85-F331 VanDerWaalsContact O-CA 3.26Å; V85-F331 WeakPolarHBondContact O-CA 3.43Å; V85-F331 WeakPolarHBondContact O-CB 3.18Å; F297-F331 HydrophobicContact CB-CD1 3.92Å; F297-F331 HydrophobicContact CB-CD2 3.99Å; F297-F331 HydrophobicContact CB-CE1 3.55Å; F297-F331 HydrophobicContact CB-CE2 3.61Å; F297-F331 HydrophobicContact CB-CG 4.13Å; F297-F331 HydrophobicContact CB-CZ 3.39Å; F297-F331 HydrophobicContact CD1-CD1 4.01Å; F297-F331 AromaticContact CD1-CE1 3.56Å; F297-F331 HydrophobicContact CD1-CE1 3.56Å; F297-F331 HydrophobicContact CD1-CZ 4.17Å; F297-F331 HydrophobicContact CD2-CE1 4.35Å; F297-F331 HydrophobicContact CD2-CZ 4.19Å; F297-F331 HydrophobicContact CE1-CE1 4.38Å; F297-F331 HydrophobicContact CG-CD1 4.21Å; F297-F331 AromaticContact CG-CE1 3.55Å; F297-F331 HydrophobicContact CG-CE1 3.55Å; F297-F331 HydrophobicContact CG-CE2 4.39Å; F297-F331 AromaticContact CG-CZ 3.66Å; F297-F331 HydrophobicContact CG-CZ 3.66Å; F297-F331 PolarHBondContact N-O 3.11Å; F297-F331 PolarHBondContact O-N 2.88Å; F297-F331 VanDerWaalsContact O-N 3.1Å; F331-H333 HydrophobicContact CD2-CB 4.31Å; F331-H333 HydrophobicContact CE2-CB 4.29Å
332	V	98.9	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	125.5	168.1	-169.8	0	0	0	0	109.6	G84 V85 L87 V294 I295 V296 I337 W353 W377 I380	G84-V332 CarbonylContact C-O 3.51Å; G84-V332 WeakPolarHBondContact CA-O 3.49Å; V85-V332 PolarHBondContact N-O 2.99Å; V85-V332 PolarHBondContact O-N 3.49Å; L87-V332 HydrophobicContact CD1-CG2 4.26Å; V294-V332 HydrophobicContact CG1-CG1 3.87Å; I295-V332 WeakPolarHBondContact O-CA 3.47Å; V296-V332 HydrophobicContact CG2-CG1 4.31Å; V296-V332 HydrophobicContact CG2-CG2 4.3Å; V332-I337 HydrophobicContact CB-CD1 4.31Å; V332-I337 HydrophobicContact CG1-CD1 4.1Å; V332-I337 WeakPolarHBondContact O-CD1 3.25Å; V332-W353 HydrophobicContact CG2-CH2 3.55Å; V332-W353 HydrophobicContact CG2-CZ3 4.05Å; V332-W377 HydrophobicContact CG1-CZ3 4.25Å; V332-I380 HydrophobicContact CB-CG2 3.95Å; V332-I380 HydrophobicContact CG1-CG2 4.44Å; V332-I380 HydrophobicContact CG2-CD1 4.11Å; V332-I380 HydrophobicContact CG2-CG2 3.91Å
333	H	98.9	Very high	98.3	Very high	7 Å²	7	37.4 Å²	37.4	3%	0.032	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	120.7	175.8	-178	93.9	0	0	0	109.5	L80 E83 Y290 I295 F331	L80-H333 HydrophobicContact CB-CB 4.25Å; L80-H333 HydrophobicContact CD2-CB 4.34Å; L80-H333 PolarHBondContact O-ND1 2.88Å; E83-H333 IonicContact OE2-CE1 2.71Å; E83-H333 PolarHBondContact OE2-CE1 3.1Å; Y290-H333 AromaticContact CE2-NE2 3.65Å; Y290-H333 AromaticContact CZ-NE2 3.43Å; Y290-H333 PolarHBondContact OH-NE2 3.31Å; I295-H333 WeakPolarHBondContact CA-O 3.41Å; I295-H333 HydrophobicContact CB-CB 4.43Å; I295-H333 WeakPolarHBondContact CB-O 3.45Å; I295-H333 PolarHBondContact N-O 3.23Å; I295-H333 PolarHBondContact O-N 2.76Å; F331-H333 HydrophobicContact CD2-CB 4.31Å; F331-H333 HydrophobicContact CE2-CB 4.29Å
334	S	98.6	Very high	98.3	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.021	16%	0.161	C	C	.	.			trans	-159.3	137.7	176.3	-176.2	0	0	0	0	111.7	S293 L336 I337 K340	S293-S334 VanDerWaalsContact O-CB 3.28Å; S293-S334 WeakPolarHBondContact O-CB 3.14Å; S293-S334 PolarHBondContact O-OG 3.07Å; S334-L336 PolarHBondContact O-N 3.14Å; S334-L336 WeakPolarHBondContact OG-CB 3.37Å; S334-L336 PolarHBondContact OG-N 2.85Å; S334-I337 PolarHBondContact O-N 2.78Å; S334-K340 WeakPolarHBondContact O-CE 3.3Å
335	P	97.7	Very high	98.2	Very high	27 Å²	27	45.5 Å²	45.5	18%	0.175	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.2	165.2	-29	40.8	0	0	0	113.9	Y290 K340	Y290-P335 HydrophobicContact CD1-CG 4.19Å; Y290-P335 HydrophobicContact CE1-CG 4.01Å; P335-K340 VanDerWaalsContact O-CE 3.22Å; P335-K340 WeakPolarHBondContact O-CE 3.48Å; P335-K340 PolarHBondContact O-NZ 3.04Å
336	L	97.1	Very high	98.2	Very high	19 Å²	19	46.5 Å²	46.5	10%	0.099	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-2.3	-178.3	-49.4	177.8	0	0	0	114.6	P44 F46 P50 V294 S334	P44-L336 HydrophobicContact CB-CD2 4.43Å; P44-L336 HydrophobicContact CG-CD2 3.92Å; F46-L336 HydrophobicContact CD1-CD1 4.4Å; F46-L336 HydrophobicContact CE1-CD1 3.8Å; F46-L336 HydrophobicContact CZ-CD1 4.47Å; P50-L336 HydrophobicContact CB-CD1 3.73Å; V294-L336 HydrophobicContact CG2-CD1 4.37Å; S334-L336 PolarHBondContact O-N 3.14Å; S334-L336 WeakPolarHBondContact OG-CB 3.37Å; S334-L336 PolarHBondContact OG-N 2.85Å
337	I	98.4	Very high	98.2	Very high	7 Å²	7	47 Å²	47	4%	0.036	20%	0.202	C	C	.	.			trans	-70.9	130.6	174.1	-76.6	162.7	0	0	0	110	V85 V332 S334 R339 K340 W377 S381	V85-I337 HydrophobicContact CG2-CD1 4.1Å; V85-I337 HydrophobicContact CG2-CG2 3.89Å; V332-I337 HydrophobicContact CB-CD1 4.31Å; V332-I337 HydrophobicContact CG1-CD1 4.1Å; V332-I337 WeakPolarHBondContact O-CD1 3.25Å; S334-I337 PolarHBondContact O-N 2.78Å; I337-R339 WeakPolarHBondContact CG2-O 3.45Å; I337-K340 HydrophobicContact CB-CG 3.89Å; I337-K340 HydrophobicContact CG2-CB 4.37Å; I337-K340 HydrophobicContact CG2-CG 3.65Å; I337-K340 WeakPolarHBondContact O-CE 3.31Å; I337-W377 HydrophobicContact CG1-CH2 3.79Å; I337-W377 HydrophobicContact CG1-CZ2 4.48Å; I337-W377 HydrophobicContact CG1-CZ3 4.35Å; I337-S381 WeakPolarHBondContact CA-OG 3.45Å
338	K	97.9	Very high	98.2	Very high	137 Å²	137	46.4 Å²	46.4	60%	0.596	20%	0.199	S	C	*	.	S	Bend	trans	-75.4	-38.7	-180	-71.7	171.1	173.5	-179.1	0	113.1	S381 E382	K338-S381 CarbonylContact C-O 3.59Å; K338-S381 WeakPolarHBondContact CB-O 3.27Å; K338-S381 PolarHBondContact N-O 3.23Å; K338-S381 PolarHBondContact N-OG 3.46Å; K338-E382 HydrophobicContact CB-CG 4.3Å; K338-E382 HydrophobicContact CD-CG 3.56Å; K338-E382 WeakPolarHBondContact CD-OE1 3.24Å; K338-E382 IonicContact NZ-OE1 2.66Å; K338-E382 PolarHBondContact NZ-OE1 3.16Å
339	R	98	Very high	98.2	Very high	159 Å²	159	46.4 Å²	46.4	60%	0.6	20%	0.199	S	C	*	.	S	Bend	trans	-119.5	85	177	-66.1	-165.3	-179.9	150.7	-17.2	111.1	I337 R342 S381 E382	I337-R339 WeakPolarHBondContact CG2-O 3.45Å; R339-R342 WeakPolarHBondContact O-CD 3.45Å; R339-R342 PolarHBondContact O-NE 3.31Å; R339-S381 PolarHBondContact N-O 2.75Å; R339-E382 VanDerWaalsContact CD-O 3.25Å; R339-E382 WeakPolarHBondContact CD-O 3.23Å; R339-E382 PolarHBondContact NH1-O 3.28Å
340	K	97.1	Very high	98.3	Very high	98 Å²	98	46.3 Å²	46.3	43%	0.426	20%	0.199	S	C	.	.			trans	-78.9	174.1	179.1	-62.6	173.2	-176.2	161.9	0	112.2	G84 S334 P335 I337	G84-K340 CarbonylContact O-C 3.55Å; S334-K340 WeakPolarHBondContact O-CE 3.3Å; P335-K340 VanDerWaalsContact O-CE 3.22Å; P335-K340 WeakPolarHBondContact O-CE 3.48Å; P335-K340 PolarHBondContact O-NZ 3.04Å; I337-K340 HydrophobicContact CB-CG 3.89Å; I337-K340 HydrophobicContact CG2-CB 4.37Å; I337-K340 HydrophobicContact CG2-CG 3.65Å; I337-K340 WeakPolarHBondContact O-CE 3.31Å
341	R	98.1	Very high	98.3	Very high	201 Å²	201	46.2 Å²	46.2	76%	0.758	20%	0.198	S	C	*	.	S	Bend	trans	57.1	49.5	172.5	-55.6	-174.5	175	168.8	-2.2	113.9	A82 G84	A82-R341 WeakPolarHBondContact O-CA 3.47Å; A82-R341 WeakPolarHBondContact O-CG 3.31Å; G84-R341 WeakPolarHBondContact O-CA 3.3Å; G84-R341 PolarHBondContact O-N 3.35Å
342	R	97.9	Very high	98.3	Very high	60 Å²	60	46.2 Å²	46.2	23%	0.226	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	159.4	-177.8	68.3	174.7	-167.9	94.3	-0.7	113.6	G84 V85 K86 R339 S344 A379 I380	G84-R342 PolarHBondContact O-N 3.41Å; V85-R342 WeakPolarHBondContact CA-O 3.47Å; V85-R342 HydrophobicContact CG1-CG 4.27Å; V85-R342 HydrophobicContact CG2-CG 4.03Å; K86-R342 PolarHBondContact N-O 2.93Å; R339-R342 WeakPolarHBondContact O-CD 3.45Å; R339-R342 PolarHBondContact O-NE 3.31Å; R342-S344 PolarHBondContact NH1-OG 2.98Å; R342-S344 PolarHBondContact NH2-OG 3.22Å; R342-A379 PolarHBondContact NH2-O 3.34Å; R342-I380 PolarHBondContact NH2-O 2.7Å
343	T	98.5	Very high	98.3	Very high	48 Å²	48	46.3 Å²	46.3	29%	0.294	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	150.1	157.7	-80.9	0	0	0	0	110.4	K86 E88 W345	K86-T343 WeakPolarHBondContact CE-OG1 3.43Å; E88-T343 HydrophobicContact CB-CG2 4.22Å; E88-T343 HydrophobicContact CG-CG2 3.45Å; E88-T343 VanDerWaalsContact CG-CG2 3.45Å; T343-W345 HydrophobicContact CG2-CD2 4.16Å; T343-W345 HydrophobicContact CG2-CG 4.3Å; T343-W345 HydrophobicContact CG2-CZ2 4.01Å
344	S	98.3	Very high	98.3	Very high	3 Å²	3	46 Å²	46	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	124	169.4	-154.8	0	0	0	0	110.8	K86 E88 R342	K86-S344 WeakPolarHBondContact O-CB 3.44Å; K86-S344 PolarHBondContact O-N 3.5Å; E88-S344 PolarHBondContact N-O 3.1Å; E88-S344 VanDerWaalsContact N-O 3.09Å; R342-S344 PolarHBondContact NH1-OG 2.98Å; R342-S344 PolarHBondContact NH2-OG 3.22Å
345	W	97.5	Very high	98.3	Very high	168 Å²	168	46 Å²	46	64%	0.636	20%	0.197	S	C	*	.			trans	-99.4	4.4	172.4	-60.6	108.3	0	0	0	112.7	E88 N89 T343 L347	E88-W345 HydrophobicContact CB-CD2 4.18Å; E88-W345 HydrophobicContact CB-CE3 3.66Å; E88-W345 HydrophobicContact CB-CH2 3.68Å; E88-W345 HydrophobicContact CB-CZ2 4.19Å; E88-W345 HydrophobicContact CB-CZ3 3.39Å; E88-W345 HydrophobicContact CG-CH2 4.18Å; E88-W345 HydrophobicContact CG-CZ2 4.35Å; E88-W345 HydrophobicContact CG-CZ3 4.36Å; N89-W345 HydrophobicContact CB-CE3 4.46Å; N89-W345 WeakPolarHBondContact CB-O 3.47Å; N89-W345 PolarHBondContact ND2-O 3.27Å; T343-W345 HydrophobicContact CG2-CD2 4.16Å; T343-W345 HydrophobicContact CG2-CG 4.3Å; T343-W345 HydrophobicContact CG2-CZ2 4.01Å; W345-L347 PolarHBondContact O-N 3.33Å
346	A	97.8	Very high	98.3	Very high	20 Å²	20	44.8 Å²	44.8	17%	0.165	19%	0.189	C	C	.	.	S	Bend	trans	-59.6	130.5	170.4	0	0	0	0	0	109.9	V348 A379	A346-V348 PolarHBondContact O-N 3.25Å; A346-A379 HydrophobicContact CB-CB 3.97Å
347	L	98.7	Very high	98.4	Very high	12 Å²	12	44 Å²	44	6%	0.063	19%	0.185	C	C	.	.			trans	-68.3	122.4	-177.8	-176.1	59.4	0	0	0	110.6	Y91 W345 S386 R388 I391	Y91-L347 HydrophobicContact CD2-CD1 3.82Å; Y91-L347 HydrophobicContact CE2-CD1 3.8Å; W345-L347 PolarHBondContact O-N 3.33Å; L347-S386 VanDerWaalsContact O-CB 3.31Å; L347-S386 WeakPolarHBondContact O-CB 3.49Å; L347-S386 PolarHBondContact O-OG 2.76Å; L347-R388 HydrophobicContact CD2-CG 4.05Å; L347-R388 HydrophobicContact CG-CG 4.06Å; L347-I391 HydrophobicContact CD1-CD1 3.65Å; L347-I391 HydrophobicContact CD1-CG1 4.47Å; L347-I391 HydrophobicContact CD2-CD1 4.4Å; L347-I391 HydrophobicContact CD2-CG1 4.37Å; L347-I391 HydrophobicContact CG-CD1 4.03Å; L347-I391 HydrophobicContact CG-CG1 4.45Å
348	V	98.8	Very high	98.4	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.006	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	141.9	-179.9	-179.2	0	0	0	0	109.9	N89 Y90 Y91 A346 D352 V376	N89-V348 PolarHBondContact O-N 3.42Å; N89-V348 VanDerWaalsContact O-N 3.11Å; Y90-V348 CarbonylContact C-O 3.58Å; Y90-V348 WeakPolarHBondContact CA-O 3.45Å; Y90-V348 HydrophobicContact CD2-CB 3.98Å; Y90-V348 HydrophobicContact CD2-CG1 3.78Å; Y90-V348 HydrophobicContact CE2-CG1 4.1Å; Y91-V348 PolarHBondContact N-O 3.09Å; A346-V348 PolarHBondContact O-N 3.25Å; V348-D352 WeakPolarHBondContact CA-OD2 3.41Å; V348-D352 HydrophobicContact CG1-CB 4.2Å; V348-V376 HydrophobicContact CG1-CG2 4.02Å; V348-V376 HydrophobicContact CG2-CB 4.26Å; V348-V376 HydrophobicContact CG2-CG1 4.25Å; V348-V376 HydrophobicContact CG2-CG2 4.23Å
349	H	98.9	Very high	98.4	Very high	0 Å²	0	39 Å²	39	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	156.5	173.9	-174.2	-113.3	0	0	0	110.9	Y91 Q93 Q102 Y108 T351 D352 I391	Y91-H349 CarbonylContact O-C 3.41Å; Y91-H349 WeakPolarHBondContact O-CA 3.48Å; Y91-H349 PolarHBondContact O-CD2 2.88Å; Y91-H349 VanDerWaalsContact O-CD2 3.29Å; Q93-H349 PolarHBondContact NE2-NE2 2.84Å; Q102-H349 PolarHBondContact OE1-CE1 2.71Å; Q102-H349 VanDerWaalsContact OE1-CE1 3.29Å; Y108-H349 AromaticContact CE1-CE1 3.58Å; Y108-H349 AromaticContact CE1-ND1 3.8Å; H349-T351 PolarHBondContact ND1-N 3.15Å; H349-T351 PolarHBondContact ND1-OG1 2.79Å; H349-T351 PolarHBondContact O-N 2.86Å; H349-D352 PolarHBondContact N-OD2 3.09Å; H349-D352 VanDerWaalsContact O-CB 3.24Å; H349-D352 WeakPolarHBondContact O-CB 3.29Å; H349-D352 PolarHBondContact O-N 3.24Å; H349-I391 HydrophobicContact CB-CD1 3.88Å; H349-I391 HydrophobicContact CB-CG1 4.2Å
350	I	98.9	Very high	98.4	Very high	0 Å²	0	32 Å²	32	0%	0	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-58.7	-22.6	-177.7	-157.9	173.2	0	0	0	114.3	Y91 I92 Q102 L103 D352 W353	Y91-I350 PolarHBondContact O-N 2.75Å; I92-I350 HydrophobicContact CG2-CB 4.11Å; I92-I350 HydrophobicContact CG2-CD1 4Å; I92-I350 HydrophobicContact CG2-CG1 4.37Å; Q102-I350 HydrophobicContact CB-CG2 3.66Å; L103-I350 HydrophobicContact CB-CD1 4.02Å; L103-I350 HydrophobicContact CB-CG1 3.99Å; L103-I350 HydrophobicContact CD1-CG1 4.31Å; I350-D352 VanDerWaalsContact C-N 3.31Å; I350-D352 PolarHBondContact O-N 3.17Å; I350-W353 VanDerWaalsContact O-CD1 3.26Å
351	T	98.8	Very high	98.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-67.4	-28.5	172.3	46	0	0	0	0	113.8	Q102 H349 W353 Y354 P355 D372 R388	Q102-T351 HydrophobicContact CB-CG2 3.94Å; Q102-T351 HydrophobicContact CG-CG2 4.45Å; H349-T351 PolarHBondContact ND1-N 3.15Å; H349-T351 PolarHBondContact ND1-OG1 2.79Å; H349-T351 PolarHBondContact O-N 2.86Å; T351-W353 PolarHBondContact O-N 2.69Å; T351-Y354 PolarHBondContact O-N 3.02Å; T351-P355 VanDerWaalsContact O-CD 3.29Å; T351-P355 WeakPolarHBondContact O-CD 3.08Å; T351-D372 PolarHBondContact OG1-O 3.41Å; T351-R388 PolarHBondContact OG1-NH2 3.18Å; T351-R388 VanDerWaalsContact OG1-NH2 3.1Å
352	D	98.9	Very high	98.3	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-63.8	-25.3	-177.3	-63	-30.2	0	0	0	111.6	V348 H349 I350 Y354 P355 T356 G373 Y374 V376 R388	V348-D352 WeakPolarHBondContact CA-OD2 3.41Å; V348-D352 HydrophobicContact CG1-CB 4.2Å; H349-D352 PolarHBondContact N-OD2 3.09Å; H349-D352 VanDerWaalsContact O-CB 3.24Å; H349-D352 WeakPolarHBondContact O-CB 3.29Å; H349-D352 PolarHBondContact O-N 3.24Å; I350-D352 VanDerWaalsContact C-N 3.31Å; I350-D352 PolarHBondContact O-N 3.17Å; D352-Y354 VanDerWaalsContact C-N 3.28Å; D352-Y354 PolarHBondContact O-N 3.14Å; D352-P355 WeakPolarHBondContact O-CD 3.14Å; D352-T356 WeakPolarHBondContact O-CB 3.44Å; D352-T356 PolarHBondContact O-N 2.86Å; D352-T356 PolarHBondContact O-OG1 3.16Å; D352-G373 WeakPolarHBondContact OD1-CA 3.38Å; D352-Y374 WeakPolarHBondContact CA-O 3.49Å; D352-Y374 VanDerWaalsContact CB-O 3.31Å; D352-Y374 WeakPolarHBondContact CB-O 3.24Å; D352-Y374 PolarHBondContact OD1-N 2.9Å; D352-V376 HydrophobicContact CB-CG1 3.84Å; D352-V376 HydrophobicContact CB-CG2 3.88Å; D352-R388 IonicContact OD1-CZ 2.71Å; D352-R388 IonicContact OD1-NE 2.75Å; D352-R388 PolarHBondContact OD1-NE 3.19Å; D352-R388 VanDerWaalsContact OD1-NE 3.15Å; D352-R388 IonicContact OD1-NH2 2.79Å; D352-R388 PolarHBondContact OD1-NH2 2.85Å; D352-R388 IonicContact OD2-CZ 3.98Å; D352-R388 IonicContact OD2-NE 3.16Å; D352-R388 PolarHBondContact OD2-NE 2.93Å; D352-R388 IonicContact OD2-NH2 3.22Å
353	W	98.9	Very high	98.1	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.008	11%	0.114	C	C	.	.	H	α-helix	trans	-60	-35	176.4	-62.9	126.3	0	0	0	113	F54 L87 Y90 L103 V296 V332 I350 T351 T356 L357 I380	F54-W353 HydrophobicContact CE2-CB 4.09Å; F54-W353 AromaticContact CE2-CD1 3.65Å; F54-W353 AromaticContact CE2-CD2 3.84Å; F54-W353 HydrophobicContact CE2-CD2 3.84Å; F54-W353 AromaticContact CE2-CG 3.6Å; F54-W353 HydrophobicContact CE2-CG 3.6Å; F54-W353 AromaticContact CE2-NE1 3.94Å; F54-W353 AromaticContact CZ-CD1 3.76Å; F54-W353 HydrophobicContact CZ-CG 4.18Å; F54-W353 AromaticContact CZ-NE1 3.92Å; L87-W353 HydrophobicContact CD1-CH2 3.84Å; L87-W353 HydrophobicContact CD1-CZ2 3.77Å; Y90-W353 HydrophobicContact CE2-CZ2 4.14Å; Y90-W353 AromaticContact CE2-NE1 3.56Å; Y90-W353 AromaticContact CZ-NE1 3.59Å; Y90-W353 PolarHBondContact OH-NE1 2.7Å; L103-W353 HydrophobicContact CD1-CB 3.73Å; L103-W353 HydrophobicContact CD1-CG 4.12Å; V296-W353 HydrophobicContact CG1-CD2 4.22Å; V296-W353 HydrophobicContact CG1-CE3 4.24Å; V296-W353 HydrophobicContact CG1-CH2 3.67Å; V296-W353 HydrophobicContact CG1-CZ2 3.6Å; V296-W353 HydrophobicContact CG1-CZ3 3.99Å; V296-W353 HydrophobicContact CG2-CE3 4.2Å; V296-W353 HydrophobicContact CG2-CH2 4.29Å; V296-W353 HydrophobicContact CG2-CZ3 3.88Å; V332-W353 HydrophobicContact CG2-CH2 3.55Å; V332-W353 HydrophobicContact CG2-CZ3 4.05Å; I350-W353 VanDerWaalsContact O-CD1 3.26Å; T351-W353 PolarHBondContact O-N 2.69Å; W353-T356 HydrophobicContact CE3-CG2 4.45Å; W353-L357 HydrophobicContact CB-CD1 4.19Å; W353-L357 WeakPolarHBondContact O-CB 3.4Å; W353-L357 WeakPolarHBondContact O-CG 3.38Å; W353-L357 PolarHBondContact O-N 3.12Å; W353-I380 HydrophobicContact CH2-CD1 3.69Å; W353-I380 HydrophobicContact CZ3-CD1 3.78Å
354	Y	98.8	Very high	97.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-59.7	-62.7	179.5	-174.4	-66.4	0	0	0	111.8	I104 T105 A132 L134 K137 T351 D352 T356 L357 V358 L365 V368 L371	I104-Y354 WeakPolarHBondContact O-CD2 3.4Å; I104-Y354 WeakPolarHBondContact O-CE2 3.24Å; T105-Y354 WeakPolarHBondContact O-CD2 3.45Å; A132-Y354 PolarHBondContact O-OH 3.49Å; L134-Y354 HydrophobicContact CB-CD2 3.66Å; L134-Y354 HydrophobicContact CB-CE2 3.97Å; L134-Y354 HydrophobicContact CB-CG 4.39Å; K137-Y354 HydrophobicContact CG-CE1 4.5Å; K137-Y354 WeakPolarHBondContact CG-OH 3.42Å; T351-Y354 PolarHBondContact O-N 3.02Å; D352-Y354 VanDerWaalsContact C-N 3.28Å; D352-Y354 PolarHBondContact O-N 3.14Å; Y354-T356 VanDerWaalsContact C-N 3.34Å; Y354-T356 PolarHBondContact O-N 2.96Å; Y354-L357 PolarHBondContact O-N 3.12Å; Y354-V358 HydrophobicContact CD1-CG2 4.35Å; Y354-V358 HydrophobicContact CE1-CG2 4.33Å; Y354-V358 WeakPolarHBondContact O-CB 3.27Å; Y354-V358 VanDerWaalsContact O-CG2 3.3Å; Y354-V358 WeakPolarHBondContact O-CG2 3.39Å; Y354-V358 PolarHBondContact O-N 2.9Å; Y354-L365 HydrophobicContact CD1-CD2 4.31Å; Y354-L365 HydrophobicContact CE1-CD2 4.2Å; Y354-V368 HydrophobicContact CE1-CG1 4.19Å; Y354-V368 HydrophobicContact CE1-CG2 4.48Å; Y354-L371 HydrophobicContact CD1-CD1 3.82Å; Y354-L371 HydrophobicContact CD1-CD2 3.89Å; Y354-L371 HydrophobicContact CE1-CD1 3.95Å; Y354-L371 HydrophobicContact CE1-CD2 3.92Å; Y354-L371 HydrophobicContact CG-CD2 4.36Å
355	P	98.6	Very high	97.4	Very high	5 Å²	5	27.9 Å²	27.9	3%	0.032	14%	0.136	C	C	.	.	H	α-helix	trans	-68.8	-29	178.3	27.9	-35.5	0	0	0	113.3	T351 D352 S359 L365 L371	T351-P355 VanDerWaalsContact O-CD 3.29Å; T351-P355 WeakPolarHBondContact O-CD 3.08Å; D352-P355 WeakPolarHBondContact O-CD 3.14Å; P355-S359 WeakPolarHBondContact O-CB 3.17Å; P355-S359 PolarHBondContact O-N 3.06Å; P355-S359 PolarHBondContact O-OG 3.03Å; P355-L365 HydrophobicContact CB-CD1 3.64Å; P355-L365 HydrophobicContact CB-CD2 4.08Å; P355-L371 HydrophobicContact CB-CD1 4.29Å
356	T	98.8	Very high	96.9	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	14%	0.143	C	C	.	.	H	α-helix	trans	-63.3	-48.3	175.4	-62.3	0	0	0	0	111.5	D352 W353 Y354 S359 L360 Y374 N375 V376 W377	D352-T356 WeakPolarHBondContact O-CB 3.44Å; D352-T356 PolarHBondContact O-N 2.86Å; D352-T356 PolarHBondContact O-OG1 3.16Å; W353-T356 HydrophobicContact CE3-CG2 4.45Å; Y354-T356 VanDerWaalsContact C-N 3.34Å; Y354-T356 PolarHBondContact O-N 2.96Å; T356-S359 PolarHBondContact O-N 2.97Å; T356-L360 HydrophobicContact CG2-CD1 4.34Å; T356-L360 WeakPolarHBondContact O-CG 3.41Å; T356-L360 PolarHBondContact O-N 3.19Å; T356-Y374 PolarHBondContact OG1-O 2.83Å; T356-N375 WeakPolarHBondContact OG1-CA 3.17Å; T356-V376 HydrophobicContact CG2-CG2 4.35Å; T356-V376 WeakPolarHBondContact OG1-CG2 3.25Å; T356-V376 PolarHBondContact OG1-N 3.46Å; T356-W377 HydrophobicContact CG2-CB 4.01Å
357	L	98.8	Very high	96.1	Very high	1 Å²	1	27 Å²	27	1%	0.005	15%	0.154	C	C	.	.	H	α-helix	trans	-75.2	-38.4	-177	-64.7	176.1	0	0	0	112.1	I52 F54 L134 W353 Y354 S359 L360 A361	I52-L357 HydrophobicContact CD1-CB 4.23Å; I52-L357 HydrophobicContact CD1-CD2 4.23Å; I52-L357 HydrophobicContact CG1-CD2 4.41Å; I52-L357 HydrophobicContact CG2-CD1 4.1Å; I52-L357 HydrophobicContact CG2-CD2 3.66Å; I52-L357 HydrophobicContact CG2-CG 4.36Å; F54-L357 HydrophobicContact CD2-CD1 4Å; L134-L357 HydrophobicContact CD1-CB 4.16Å; L134-L357 HydrophobicContact CD2-CD1 4.03Å; W353-L357 HydrophobicContact CB-CD1 4.19Å; W353-L357 WeakPolarHBondContact O-CB 3.4Å; W353-L357 WeakPolarHBondContact O-CG 3.38Å; W353-L357 PolarHBondContact O-N 3.12Å; Y354-L357 PolarHBondContact O-N 3.12Å; L357-S359 VanDerWaalsContact C-N 3.32Å; L357-S359 PolarHBondContact O-N 3.26Å; L357-L360 HydrophobicContact CD2-CD1 4.16Å; L357-L360 PolarHBondContact O-N 3.41Å; L357-A361 WeakPolarHBondContact O-CB 3.38Å; L357-A361 PolarHBondContact O-N 3.28Å
358	V	98.3	Very high	95.5	Very high	0 Å²	0	27 Å²	27	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-63.8	-38.2	171.7	175.2	0	0	0	0	111.1	L134 K137 Y354 A361 R362 G363 L365	L134-V358 HydrophobicContact CD1-CG2 3.73Å; K137-V358 HydrophobicContact CB-CG2 3.77Å; Y354-V358 HydrophobicContact CD1-CG2 4.35Å; Y354-V358 HydrophobicContact CE1-CG2 4.33Å; Y354-V358 WeakPolarHBondContact O-CB 3.27Å; Y354-V358 VanDerWaalsContact O-CG2 3.3Å; Y354-V358 WeakPolarHBondContact O-CG2 3.39Å; Y354-V358 PolarHBondContact O-N 2.9Å; V358-A361 CarbonylContact O-C 3.6Å; V358-A361 WeakPolarHBondContact O-CB 3.44Å; V358-A361 PolarHBondContact O-N 3.45Å; V358-R362 PolarHBondContact O-N 2.87Å; V358-R362 VanDerWaalsContact O-N 3.11Å; V358-G363 PolarHBondContact O-N 3.26Å; V358-L365 HydrophobicContact CB-CD2 3.91Å; V358-L365 HydrophobicContact CB-CG 4.31Å; V358-L365 HydrophobicContact CG1-CD2 3.74Å; V358-L365 HydrophobicContact CG1-CG 3.84Å; V358-L365 HydrophobicContact CG2-CD2 4.44Å
359	S	97.4	Very high	94.8	Very high	41 Å²	41	32 Å²	32	29%	0.287	19%	0.187	S	C	.	.	H	α-helix	trans	-65.7	-41.7	175.2	-64.5	0	0	0	0	112.4	P355 T356 L357 A361 R362 N375	P355-S359 WeakPolarHBondContact O-CB 3.17Å; P355-S359 PolarHBondContact O-N 3.06Å; P355-S359 PolarHBondContact O-OG 3.03Å; T356-S359 PolarHBondContact O-N 2.97Å; L357-S359 VanDerWaalsContact C-N 3.32Å; L357-S359 PolarHBondContact O-N 3.26Å; S359-A361 VanDerWaalsContact C-N 3.29Å; S359-A361 PolarHBondContact O-N 3.44Å; S359-R362 PolarHBondContact O-N 3.29Å; S359-R362 VanDerWaalsContact O-N 3.09Å; S359-N375 WeakPolarHBondContact CB-ND2 3.04Å; S359-N375 PolarHBondContact OG-ND2 2.68Å; S359-N375 VanDerWaalsContact OG-ND2 3.12Å
360	L	97.9	Very high	94.3	Very high	12 Å²	12	34.6 Å²	34.6	6%	0.063	21%	0.214	C	C	.	.	H	α-helix	trans	-61.2	-38.8	172.8	-79.5	165.8	0	0	0	112	F46 P50 V294 T356 L357 R362 W377	F46-L360 HydrophobicContact CE1-CD2 4.14Å; F46-L360 HydrophobicContact CZ-CD2 3.89Å; P50-L360 VanDerWaalsContact CD-O 3.24Å; P50-L360 WeakPolarHBondContact CD-O 3.43Å; P50-L360 HydrophobicContact CG-CB 4.03Å; P50-L360 HydrophobicContact CG-CD2 4.28Å; V294-L360 HydrophobicContact CG1-CD1 4.44Å; V294-L360 HydrophobicContact CG2-CD1 4.43Å; T356-L360 HydrophobicContact CG2-CD1 4.34Å; T356-L360 WeakPolarHBondContact O-CG 3.41Å; T356-L360 PolarHBondContact O-N 3.19Å; L357-L360 HydrophobicContact CD2-CD1 4.16Å; L357-L360 PolarHBondContact O-N 3.41Å; L360-R362 PolarHBondContact O-N 2.97Å; L360-W377 HydrophobicContact CD1-CD2 4.11Å; L360-W377 HydrophobicContact CD1-CE3 3.9Å; L360-W377 HydrophobicContact CD1-CZ3 4.3Å; L360-W377 HydrophobicContact CD2-CD2 3.81Å; L360-W377 HydrophobicContact CD2-CE3 4.36Å; L360-W377 HydrophobicContact CD2-CG 3.99Å; L360-W377 HydrophobicContact CD2-CZ2 4.18Å; L360-W377 HydrophobicContact CG-CD2 4.31Å; L360-W377 HydrophobicContact CG-CG 4.35Å
361	A	97.6	Very high	94.2	Very high	3 Å²	3	36.4 Å²	36.4	3%	0.025	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-9.7	174.2	0	0	0	0	0	114.7	L138 A141 Y143 L357 V358 S359 G363	L138-A361 HydrophobicContact CD2-CB 3.38Å; A141-A361 HydrophobicContact CB-CB 3.99Å; Y143-A361 HydrophobicContact CD2-CB 4.09Å; Y143-A361 HydrophobicContact CE2-CB 3.31Å; Y143-A361 WeakPolarHBondContact OH-CA 3.36Å; L357-A361 WeakPolarHBondContact O-CB 3.38Å; L357-A361 PolarHBondContact O-N 3.28Å; V358-A361 CarbonylContact O-C 3.6Å; V358-A361 WeakPolarHBondContact O-CB 3.44Å; V358-A361 PolarHBondContact O-N 3.45Å; S359-A361 VanDerWaalsContact C-N 3.29Å; S359-A361 PolarHBondContact O-N 3.44Å; A361-G363 PolarHBondContact O-N 3.25Å
362	R	95.4	Very high	94.2	Very high	153 Å²	153	37.4 Å²	37.4	58%	0.577	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.3	24.8	-170.1	-50.3	179.8	176.9	175.4	-1.8	114	F46 V358 S359 L360	F46-R362 VanDerWaalsContact CB-NH2 3.33Å; F46-R362 PolarHBondContact O-NH2 2.7Å; V358-R362 PolarHBondContact O-N 2.87Å; V358-R362 VanDerWaalsContact O-N 3.11Å; S359-R362 PolarHBondContact O-N 3.29Å; S359-R362 VanDerWaalsContact O-N 3.09Å; L360-R362 PolarHBondContact O-N 2.97Å
363	G	94.2	Very high	94.1	Very high	19 Å²	19	37.8 Å²	37.8	20%	0.196	23%	0.233	C	C	.	.			trans	-77	161.5	176.8	0	0	0	0	0	113.6	V358 A361 L365	V358-G363 PolarHBondContact O-N 3.26Å; A361-G363 PolarHBondContact O-N 3.25Å; G363-L365 PolarHBondContact O-N 2.96Å
364	N	91.2	Very high	94.1	Very high	99 Å²	99	42.4 Å²	42.4	53%	0.529	25%	0.251	S	S	.	.			trans	-91.2	99.8	-172.1	-177.3	3.2	0	0	0	113.4	S366 S367	N364-S366 PolarHBondContact O-N 3.11Å; N364-S366 VanDerWaalsContact OD1-CB 3.31Å; N364-S366 WeakPolarHBondContact OD1-CB 3.3Å; N364-S366 PolarHBondContact OD1-N 3.15Å; N364-S366 PolarHBondContact OD1-OG 3.27Å; N364-S367 PolarHBondContact O-OG 3.48Å
365	L	91.7	Very high	94.1	Very high	48 Å²	48	45.2 Å²	45.2	25%	0.251	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-72	-20.6	176.8	-73.2	171.1	0	0	0	115	Y354 P355 V358 G363 S367 V368 L371	Y354-L365 HydrophobicContact CD1-CD2 4.31Å; Y354-L365 HydrophobicContact CE1-CD2 4.2Å; P355-L365 HydrophobicContact CB-CD1 3.64Å; P355-L365 HydrophobicContact CB-CD2 4.08Å; V358-L365 HydrophobicContact CB-CD2 3.91Å; V358-L365 HydrophobicContact CB-CG 4.31Å; V358-L365 HydrophobicContact CG1-CD2 3.74Å; V358-L365 HydrophobicContact CG1-CG 3.84Å; V358-L365 HydrophobicContact CG2-CD2 4.44Å; G363-L365 PolarHBondContact O-N 2.96Å; L365-S367 PolarHBondContact O-N 2.99Å; L365-V368 PolarHBondContact O-N 2.78Å; L365-L371 HydrophobicContact CD2-CD1 3.85Å
366	S	87.4	Confident	94.1	Very high	114 Å²	114	45 Å²	45	80%	0.797	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-63.2	-16.4	177.4	-51.3	0	0	0	0	112.8	N364 V368	N364-S366 PolarHBondContact O-N 3.11Å; N364-S366 VanDerWaalsContact OD1-CB 3.31Å; N364-S366 WeakPolarHBondContact OD1-CB 3.3Å; N364-S366 PolarHBondContact OD1-N 3.15Å; N364-S366 PolarHBondContact OD1-OG 3.27Å; S366-V368 VanDerWaalsContact C-N 3.28Å; S366-V368 PolarHBondContact O-N 3.47Å
367	S	79.6	Confident	94.1	Very high	56 Å²	56	46.3 Å²	46.3	39%	0.392	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-79.1	-1.8	172.8	69.3	0	0	0	0	114.6	K137 N364 L365	K137-S367 PolarHBondContact NZ-OG 2.81Å; N364-S367 PolarHBondContact O-OG 3.48Å; L365-S367 PolarHBondContact O-N 2.99Å
368	V	85.6	Confident	94.1	Very high	12 Å²	12	48.5 Å²	48.5	7%	0.073	28%	0.284	C	S	.	.	S	Bend	trans	-133	72.2	-173.9	-167.8	0	0	0	0	110.9	K137 Y354 L365 S366 L371	K137-V368 HydrophobicContact CD-CG2 3.82Å; K137-V368 HydrophobicContact CG-CG2 4.22Å; Y354-V368 HydrophobicContact CE1-CG1 4.19Å; Y354-V368 HydrophobicContact CE1-CG2 4.48Å; L365-V368 PolarHBondContact O-N 2.78Å; S366-V368 VanDerWaalsContact C-N 3.28Å; S366-V368 PolarHBondContact O-N 3.47Å; V368-L371 HydrophobicContact CB-CD1 4.49Å; V368-L371 HydrophobicContact CG1-CD1 4.34Å; V368-L371 HydrophobicContact CG1-CD2 3.75Å; V368-L371 HydrophobicContact CG1-CG 4Å
369	P	84.3	Confident	94.1	Very high	105 Å²	105	48.5 Å²	48.5	68%	0.682	28%	0.284	S	S	*	.			trans	-67.8	147.8	-178	27.8	-35.3	0	0	0	113	R107	R107-P369 VanDerWaalsContact CZ-O 3.31Å; R107-P369 PolarHBondContact NH1-O 2.59Å; R107-P369 PolarHBondContact NH2-O 3.39Å
370	G	90.2	Very high	94.1	Very high	55 Å²	55	46.6 Å²	46.6	57%	0.567	27%	0.271	S	S	*	.	S	Bend	trans	70.4	40.9	176.8	0	0	0	0	0	114.6	R107	R107-G370 PolarHBondContact NH1-O 3.13Å
371	L	96.3	Very high	94.1	Very high	39 Å²	39	46.1 Å²	46.1	20%	0.204	27%	0.268	C	S	.	.			trans	-70.4	142.9	163.7	-69.2	173	0	0	0	109.9	T105 R107 Y354 P355 L365 V368	T105-L371 WeakPolarHBondContact O-CD2 3.36Å; R107-L371 HydrophobicContact CG-CD2 4.37Å; Y354-L371 HydrophobicContact CD1-CD1 3.82Å; Y354-L371 HydrophobicContact CD1-CD2 3.89Å; Y354-L371 HydrophobicContact CE1-CD1 3.95Å; Y354-L371 HydrophobicContact CE1-CD2 3.92Å; Y354-L371 HydrophobicContact CG-CD2 4.36Å; P355-L371 HydrophobicContact CB-CD1 4.29Å; L365-L371 HydrophobicContact CD2-CD1 3.85Å; V368-L371 HydrophobicContact CB-CD1 4.49Å; V368-L371 HydrophobicContact CG1-CD1 4.34Å; V368-L371 HydrophobicContact CG1-CD2 3.75Å; V368-L371 HydrophobicContact CG1-CG 4Å
372	D	98.1	Very high	94.2	Very high	20 Å²	20	48 Å²	48	11%	0.107	28%	0.276	C	S	.	.	S	Bend	trans	-93.6	-2.2	172.9	-60.8	-68.7	0	0	0	112.3	G106 R107 Y108 H111 T351 R388	G106-D372 PolarHBondContact O-N 2.96Å; R107-D372 WeakPolarHBondContact CA-OD2 3.45Å; R107-D372 WeakPolarHBondContact CB-OD2 3.2Å; Y108-D372 HydrophobicContact CD2-CB 3.45Å; Y108-D372 VanDerWaalsContact CD2-CB 3.45Å; Y108-D372 WeakPolarHBondContact CD2-OD1 3.46Å; Y108-D372 HydrophobicContact CE2-CB 3.57Å; Y108-D372 HydrophobicContact CG-CB 4.02Å; Y108-D372 PolarHBondContact N-OD2 2.79Å; H111-D372 IonicContact CE1-OD1 3.79Å; H111-D372 PolarHBondContact CE1-OD1 3.22Å; H111-D372 IonicContact CE1-OD2 2.77Å; H111-D372 IonicContact CG-OD2 3.2Å; H111-D372 VanDerWaalsContact ND1-CG 3.32Å; H111-D372 IonicContact ND1-OD1 2.72Å; H111-D372 PolarHBondContact ND1-OD1 2.74Å; H111-D372 VanDerWaalsContact ND1-OD1 3.11Å; H111-D372 IonicContact ND1-OD2 2.79Å; H111-D372 PolarHBondContact ND1-OD2 3.29Å; T351-D372 PolarHBondContact OG1-O 3.41Å; D372-R388 PolarHBondContact O-NH2 2.78Å
373	G	97.8	Very high	94.3	Very high	9 Å²	9	42.2 Å²	42.2	9%	0.093	26%	0.264	C	S	.	.			trans	-97.3	156.5	175.5	0	0	0	0	0	113.3	G106 D352	G106-G373 PolarHBondContact O-N 2.85Å; D352-G373 WeakPolarHBondContact OD1-CA 3.38Å
374	Y	98.1	Very high	94.4	Very high	98 Å²	98	46.9 Å²	46.9	38%	0.384	28%	0.279	S	S	.	.			trans	-120.2	154.8	175.1	-55.9	-89.5	0	0	0	111.5	D352 T356 V376 P387 R388	D352-Y374 WeakPolarHBondContact CA-O 3.49Å; D352-Y374 VanDerWaalsContact CB-O 3.31Å; D352-Y374 WeakPolarHBondContact CB-O 3.24Å; D352-Y374 PolarHBondContact OD1-N 2.9Å; T356-Y374 PolarHBondContact OG1-O 2.83Å; Y374-V376 PolarHBondContact O-N 3.21Å; Y374-V376 VanDerWaalsContact O-N 3.11Å; Y374-P387 HydrophobicContact CD1-CB 4.25Å; Y374-P387 HydrophobicContact CG-CB 4.31Å; Y374-P387 HydrophobicContact CG-CG 4.25Å; Y374-R388 HydrophobicContact CD2-CB 3.85Å; Y374-R388 HydrophobicContact CD2-CG 4.36Å; Y374-R388 HydrophobicContact CE2-CB 4.2Å; Y374-R388 HydrophobicContact CE2-CG 4.37Å
375	N	98.3	Very high	94.7	Very high	59 Å²	59	50.9 Å²	50.9	32%	0.316	30%	0.295	S	S	.	.			trans	-74.6	101.4	171.2	178	1.7	0	0	0	110.3	T356 S359 W377	T356-N375 WeakPolarHBondContact OG1-CA 3.17Å; S359-N375 WeakPolarHBondContact CB-ND2 3.04Å; S359-N375 PolarHBondContact OG-ND2 2.68Å; S359-N375 VanDerWaalsContact OG-ND2 3.12Å; N375-W377 WeakPolarHBondContact OD1-CB 3.12Å; N375-W377 PolarHBondContact OD1-N 3.38Å
376	V	98.7	Very high	95	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.29	C	S	.	.			trans	-93.6	5.5	-179.3	-62.3	0	0	0	0	113.5	V348 D352 T356 Y374 P378 A379 I380 P387	V348-V376 HydrophobicContact CG1-CG2 4.02Å; V348-V376 HydrophobicContact CG2-CB 4.26Å; V348-V376 HydrophobicContact CG2-CG1 4.25Å; V348-V376 HydrophobicContact CG2-CG2 4.23Å; D352-V376 HydrophobicContact CB-CG1 3.84Å; D352-V376 HydrophobicContact CB-CG2 3.88Å; T356-V376 HydrophobicContact CG2-CG2 4.35Å; T356-V376 WeakPolarHBondContact OG1-CG2 3.25Å; T356-V376 PolarHBondContact OG1-N 3.46Å; Y374-V376 PolarHBondContact O-N 3.21Å; Y374-V376 VanDerWaalsContact O-N 3.11Å; V376-P378 VanDerWaalsContact C-CD 3.44Å; V376-P378 VanDerWaalsContact C-N 3.33Å; V376-A379 WeakPolarHBondContact O-CB 3.43Å; V376-A379 PolarHBondContact O-N 2.73Å; V376-I380 HydrophobicContact CB-CD1 4.49Å; V376-I380 HydrophobicContact CG2-CD1 3.69Å; V376-I380 HydrophobicContact CG2-CG1 4.34Å; V376-I380 WeakPolarHBondContact O-CG1 3.32Å; V376-I380 PolarHBondContact O-N 2.99Å; V376-P387 HydrophobicContact CG1-CG 4.31Å
377	W	98.6	Very high	95.5	Very high	29 Å²	29	47.3 Å²	47.3	11%	0.11	27%	0.272	C	S	.	.	H	α-helix	trans	-55.1	-38.5	177.7	-175.3	-113.9	0	0	0	113.9	F46 V294 V332 I337 T356 L360 N375 A379 I380 S381	F46-W377 HydrophobicContact CZ-CZ2 4.42Å; V294-W377 HydrophobicContact CG1-CH2 4.33Å; V294-W377 HydrophobicContact CG1-CZ3 3.98Å; V294-W377 HydrophobicContact CG2-CH2 3.94Å; V294-W377 HydrophobicContact CG2-CZ3 4.33Å; V332-W377 HydrophobicContact CG1-CZ3 4.25Å; I337-W377 HydrophobicContact CG1-CH2 3.79Å; I337-W377 HydrophobicContact CG1-CZ2 4.48Å; I337-W377 HydrophobicContact CG1-CZ3 4.35Å; T356-W377 HydrophobicContact CG2-CB 4.01Å; L360-W377 HydrophobicContact CD1-CD2 4.11Å; L360-W377 HydrophobicContact CD1-CE3 3.9Å; L360-W377 HydrophobicContact CD1-CZ3 4.3Å; L360-W377 HydrophobicContact CD2-CD2 3.81Å; L360-W377 HydrophobicContact CD2-CE3 4.36Å; L360-W377 HydrophobicContact CD2-CG 3.99Å; L360-W377 HydrophobicContact CD2-CZ2 4.18Å; L360-W377 HydrophobicContact CG-CD2 4.31Å; L360-W377 HydrophobicContact CG-CG 4.35Å; N375-W377 WeakPolarHBondContact OD1-CB 3.12Å; N375-W377 PolarHBondContact OD1-N 3.38Å; W377-A379 VanDerWaalsContact C-N 3.35Å; W377-A379 PolarHBondContact O-N 2.7Å; W377-I380 HydrophobicContact CZ3-CG2 4.47Å; W377-I380 PolarHBondContact O-N 3.04Å; W377-S381 VanDerWaalsContact CE2-CB 3.48Å; W377-S381 WeakPolarHBondContact O-CB 3.29Å; W377-S381 PolarHBondContact O-N 2.7Å
378	P	98.5	Very high	96.4	Very high	48 Å²	48	44.9 Å²	44.9	31%	0.312	25%	0.254	S	S	.	.	H	α-helix	trans	-63.8	-38.8	174.3	-21.5	34.3	0	0	0	112.6	V376 E382 G383 K384	V376-P378 VanDerWaalsContact C-CD 3.44Å; V376-P378 VanDerWaalsContact C-N 3.33Å; P378-E382 WeakPolarHBondContact O-CA 3.47Å; P378-E382 VanDerWaalsContact O-CB 3.31Å; P378-E382 WeakPolarHBondContact O-CB 3.25Å; P378-E382 PolarHBondContact O-N 2.72Å; P378-G383 PolarHBondContact O-N 3.4Å; P378-K384 HydrophobicContact CB-CD 3.95Å; P378-K384 PolarHBondContact O-N 3.37Å
379	A	98.4	Very high	97	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-68.2	-36.4	177.8	0	0	0	0	0	112.2	R342 A346 V376 W377 G383 K384	R342-A379 PolarHBondContact NH2-O 3.34Å; A346-A379 HydrophobicContact CB-CB 3.97Å; V376-A379 WeakPolarHBondContact O-CB 3.43Å; V376-A379 PolarHBondContact O-N 2.73Å; W377-A379 VanDerWaalsContact C-N 3.35Å; W377-A379 PolarHBondContact O-N 2.7Å; A379-G383 WeakPolarHBondContact O-CA 3.2Å; A379-G383 PolarHBondContact O-N 3.33Å; A379-K384 WeakPolarHBondContact CA-O 3.44Å; A379-K384 WeakPolarHBondContact CB-O 3.38Å
380	I	98.6	Very high	97.7	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-76.9	-53.6	177.2	-64	173.5	0	0	0	111.4	V85 L87 V332 R342 W353 V376 W377	V85-I380 HydrophobicContact CB-CG2 4.49Å; V85-I380 HydrophobicContact CG1-CG2 4.48Å; L87-I380 HydrophobicContact CD2-CD1 4.46Å; L87-I380 HydrophobicContact CD2-CG1 4.16Å; V332-I380 HydrophobicContact CB-CG2 3.95Å; V332-I380 HydrophobicContact CG1-CG2 4.44Å; V332-I380 HydrophobicContact CG2-CD1 4.11Å; V332-I380 HydrophobicContact CG2-CG2 3.91Å; R342-I380 PolarHBondContact NH2-O 2.7Å; W353-I380 HydrophobicContact CH2-CD1 3.69Å; W353-I380 HydrophobicContact CZ3-CD1 3.78Å; V376-I380 HydrophobicContact CB-CD1 4.49Å; V376-I380 HydrophobicContact CG2-CD1 3.69Å; V376-I380 HydrophobicContact CG2-CG1 4.34Å; V376-I380 WeakPolarHBondContact O-CG1 3.32Å; V376-I380 PolarHBondContact O-N 2.99Å; W377-I380 HydrophobicContact CZ3-CG2 4.47Å; W377-I380 PolarHBondContact O-N 3.04Å
381	S	98.4	Very high	98.1	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.007	22%	0.224	C	C	.	.	H	α-helix	trans	-78.3	-38.7	-171.8	-173.4	0	0	0	0	113.4	I337 K338 R339 W377	I337-S381 WeakPolarHBondContact CA-OG 3.45Å; K338-S381 CarbonylContact C-O 3.59Å; K338-S381 WeakPolarHBondContact CB-O 3.27Å; K338-S381 PolarHBondContact N-O 3.23Å; K338-S381 PolarHBondContact N-OG 3.46Å; R339-S381 PolarHBondContact N-O 2.75Å; W377-S381 VanDerWaalsContact CE2-CB 3.48Å; W377-S381 WeakPolarHBondContact O-CB 3.29Å; W377-S381 PolarHBondContact O-N 2.7Å
382	E	98.3	Very high	98.2	Very high	43 Å²	43	40.4 Å²	40.4	20%	0.201	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.6	-11.6	-175.2	-64.5	174.7	-174.6	0	0	113.3	K338 R339 P378 K384	K338-E382 HydrophobicContact CB-CG 4.3Å; K338-E382 HydrophobicContact CD-CG 3.56Å; K338-E382 WeakPolarHBondContact CD-OE1 3.24Å; K338-E382 IonicContact NZ-OE1 2.66Å; K338-E382 PolarHBondContact NZ-OE1 3.16Å; R339-E382 VanDerWaalsContact CD-O 3.25Å; R339-E382 WeakPolarHBondContact CD-O 3.23Å; R339-E382 PolarHBondContact NH1-O 3.28Å; P378-E382 WeakPolarHBondContact O-CA 3.47Å; P378-E382 VanDerWaalsContact O-CB 3.31Å; P378-E382 WeakPolarHBondContact O-CB 3.25Å; P378-E382 PolarHBondContact O-N 2.72Å; E382-K384 VanDerWaalsContact C-N 3.3Å; E382-K384 HydrophobicContact CB-CD 4.37Å; E382-K384 HydrophobicContact CB-CG 4.31Å; E382-K384 WeakPolarHBondContact OE2-CD 3.43Å; E382-K384 WeakPolarHBondContact OE2-CE 3.5Å; E382-K384 IonicContact OE2-NZ 2.68Å; E382-K384 PolarHBondContact OE2-NZ 3.45Å
383	G	97.5	Very high	98.2	Very high	31 Å²	31	39.5 Å²	39.5	32%	0.32	21%	0.209	S	C	.	.			trans	66.3	34.5	-173.6	0	0	0	0	0	112.4	P378 A379	P378-G383 PolarHBondContact O-N 3.4Å; A379-G383 WeakPolarHBondContact O-CA 3.2Å; A379-G383 PolarHBondContact O-N 3.33Å
384	K	97.9	Very high	98.2	Very high	118 Å²	118	39.3 Å²	39.3	51%	0.513	21%	0.206	S	C	.	.	P	Polyproline II helix	trans	-74.5	167.7	165.1	-76.6	170.1	168.6	162.3	0	110.4	P378 A379 E382	P378-K384 HydrophobicContact CB-CD 3.95Å; P378-K384 PolarHBondContact O-N 3.37Å; A379-K384 WeakPolarHBondContact CA-O 3.44Å; A379-K384 WeakPolarHBondContact CB-O 3.38Å; E382-K384 VanDerWaalsContact C-N 3.3Å; E382-K384 HydrophobicContact CB-CD 4.37Å; E382-K384 HydrophobicContact CB-CG 4.31Å; E382-K384 WeakPolarHBondContact OE2-CD 3.43Å; E382-K384 WeakPolarHBondContact OE2-CE 3.5Å; E382-K384 IonicContact OE2-NZ 2.68Å; E382-K384 PolarHBondContact OE2-NZ 3.45Å
385	E	96.9	Very high	98.2	Very high	183 Å²	183	34.8 Å²	34.8	86%	0.855	19%	0.188	S	C	*	.	P	Polyproline II helix	trans	-60.2	156.4	168.8	-62.9	179.9	162.1	0	0	111.1
386	S	98.1	Very high	98.1	Very high	21 Å²	21	32.2 Å²	32.2	15%	0.147	18%	0.175	C	C	.	.	P	Polyproline II helix	trans	-79.4	138.8	175	-163.7	0	0	0	0	110.3	L347 R388	L347-S386 VanDerWaalsContact O-CB 3.31Å; L347-S386 WeakPolarHBondContact O-CB 3.49Å; L347-S386 PolarHBondContact O-OG 2.76Å; S386-R388 PolarHBondContact O-N 3.5Å; S386-R388 PolarHBondContact OG-N 3.23Å
387	P	98.1	Very high	97.6	Very high	65 Å²	65	35.3 Å²	35.3	42%	0.422	20%	0.195	S	C	.	.	S	Bend	trans	-63.9	-15.9	163.8	29.1	-36.7	0	0	0	112.8	Y374 V376	Y374-P387 HydrophobicContact CD1-CB 4.25Å; Y374-P387 HydrophobicContact CG-CB 4.31Å; Y374-P387 HydrophobicContact CG-CG 4.25Å; V376-P387 HydrophobicContact CG1-CG 4.31Å
388	R	98.1	Very high	96.9	Very high	6 Å²	6	38.3 Å²	38.3	2%	0.023	21%	0.213	C	C	.	.			trans	-88	119.3	177.8	177.6	177	-73.2	-70	-1.1	111.3	Y108 L347 T351 D352 D372 Y374 S386 E390 I391	Y108-R388 PolarHBondContact OH-NH1 3.09Å; L347-R388 HydrophobicContact CD2-CG 4.05Å; L347-R388 HydrophobicContact CG-CG 4.06Å; T351-R388 PolarHBondContact OG1-NH2 3.18Å; T351-R388 VanDerWaalsContact OG1-NH2 3.1Å; D352-R388 IonicContact OD1-CZ 2.71Å; D352-R388 IonicContact OD1-NE 2.75Å; D352-R388 PolarHBondContact OD1-NE 3.19Å; D352-R388 VanDerWaalsContact OD1-NE 3.15Å; D352-R388 IonicContact OD1-NH2 2.79Å; D352-R388 PolarHBondContact OD1-NH2 2.85Å; D352-R388 IonicContact OD2-CZ 3.98Å; D352-R388 IonicContact OD2-NE 3.16Å; D352-R388 PolarHBondContact OD2-NE 2.93Å; D352-R388 IonicContact OD2-NH2 3.22Å; D372-R388 PolarHBondContact O-NH2 2.78Å; Y374-R388 HydrophobicContact CD2-CB 3.85Å; Y374-R388 HydrophobicContact CD2-CG 4.36Å; Y374-R388 HydrophobicContact CE2-CB 4.2Å; Y374-R388 HydrophobicContact CE2-CG 4.37Å; S386-R388 PolarHBondContact O-N 3.5Å; S386-R388 PolarHBondContact OG-N 3.23Å; R388-E390 VanDerWaalsContact CG-O 3.27Å; R388-E390 WeakPolarHBondContact CG-O 3.28Å; R388-E390 PolarHBondContact NH1-O 3.43Å; R388-I391 HydrophobicContact CG-CG1 4.4Å
389	T	97.6	Very high	95.5	Very high	95 Å²	95	39.5 Å²	39.5	58%	0.583	21%	0.212	S	C	*	.			trans	-106.4	-16.2	172.1	52	0	0	0	0	113.6	G425	T389-G425 PolarHBondContact O-N 2.8Å
390	E	98.3	Very high	93.6	Very high	22 Å²	22	44.4 Å²	44.4	10%	0.103	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	149.9	-170.4	174.9	167.5	-133.9	0	0	111.3	R388 R423 V424 R495 Y499	R388-E390 VanDerWaalsContact CG-O 3.27Å; R388-E390 WeakPolarHBondContact CG-O 3.28Å; R388-E390 PolarHBondContact NH1-O 3.43Å; E390-R423 CarbonylContact C-O 3.59Å; E390-R423 VanDerWaalsContact CA-O 3.31Å; E390-R423 WeakPolarHBondContact CA-O 3.44Å; E390-V424 HydrophobicContact CB-CG2 4.38Å; E390-V424 HydrophobicContact CG-CG2 3.9Å; E390-V424 WeakPolarHBondContact OE1-CG2 3.47Å; E390-R495 IonicContact OE1-CZ 2.85Å; E390-R495 IonicContact OE1-NE 2.69Å; E390-R495 PolarHBondContact OE1-NE 2.92Å; E390-R495 IonicContact OE1-NH2 3.15Å; E390-R495 PolarHBondContact OE1-NH2 3.36Å; E390-R495 IonicContact OE2-CZ 3.75Å; E390-R495 IonicContact OE2-NE 3.15Å; E390-R495 PolarHBondContact OE2-NE 2.71Å; E390-R495 IonicContact OE2-NH2 3.34Å; E390-R495 PolarHBondContact OE2-NH2 2.95Å; E390-Y499 HydrophobicContact CG-CE2 4.13Å; E390-Y499 PolarHBondContact OE2-OH 2.84Å
391	I	98.7	Very high	91.5	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	116.7	171.3	-64.8	179.2	0	0	0	108.2	Y91 L347 H349 R388 I422 R423	Y91-I391 HydrophobicContact CD2-CD1 3.68Å; Y91-I391 HydrophobicContact CG-CD1 3.86Å; L347-I391 HydrophobicContact CD1-CD1 3.65Å; L347-I391 HydrophobicContact CD1-CG1 4.47Å; L347-I391 HydrophobicContact CD2-CD1 4.4Å; L347-I391 HydrophobicContact CD2-CG1 4.37Å; L347-I391 HydrophobicContact CG-CD1 4.03Å; L347-I391 HydrophobicContact CG-CG1 4.45Å; H349-I391 HydrophobicContact CB-CD1 3.88Å; H349-I391 HydrophobicContact CB-CG1 4.2Å; R388-I391 HydrophobicContact CG-CG1 4.4Å; I391-I422 CarbonylContact O-C 3.54Å; I391-I422 WeakPolarHBondContact O-CA 3.21Å; I391-I422 WeakPolarHBondContact O-CG1 3.31Å; I391-R423 PolarHBondContact N-O 3.01Å; I391-R423 PolarHBondContact O-N 3.25Å
392	L	98.8	Very high	89.6	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	125.2	153.3	-173.5	72	0	0	0	107.8	Y108 I110 I395 I422 L496 Y499	Y108-L392 HydrophobicContact CD1-CB 4.47Å; Y108-L392 HydrophobicContact CD2-CB 4.26Å; Y108-L392 HydrophobicContact CE1-CB 4.27Å; Y108-L392 WeakPolarHBondContact CE1-O 3.11Å; Y108-L392 HydrophobicContact CE2-CB 4.02Å; Y108-L392 PolarHBondContact OH-N 3.41Å; I110-L392 HydrophobicContact CD1-CD2 3.57Å; I110-L392 HydrophobicContact CG1-CD2 3.92Å; I110-L392 HydrophobicContact CG2-CD2 4.14Å; L392-I395 HydrophobicContact CD1-CD1 4.11Å; L392-I395 HydrophobicContact CD1-CG1 3.94Å; L392-I395 HydrophobicContact CD2-CD1 4.27Å; L392-I395 HydrophobicContact CD2-CG1 4.25Å; L392-I422 HydrophobicContact CD1-CB 4.32Å; L392-I422 HydrophobicContact CD1-CD1 4.24Å; L392-I422 HydrophobicContact CD1-CG1 4.38Å; L392-L496 HydrophobicContact CD1-CD2 3.8Å; L392-Y499 HydrophobicContact CB-CD1 4.35Å; L392-Y499 HydrophobicContact CB-CD2 4.1Å; L392-Y499 HydrophobicContact CB-CE1 4.32Å; L392-Y499 HydrophobicContact CB-CE2 4.06Å; L392-Y499 HydrophobicContact CB-CG 4.24Å; L392-Y499 HydrophobicContact CD1-CD2 3.97Å; L392-Y499 HydrophobicContact CD1-CG 4.13Å; L392-Y499 HydrophobicContact CD2-CD1 4.07Å; L392-Y499 HydrophobicContact CD2-CD2 4.49Å; L392-Y499 HydrophobicContact CD2-CG 3.92Å; L392-Y499 HydrophobicContact CG-CD2 4.41Å; L392-Y499 HydrophobicContact CG-CG 4.33Å
393	H	98.5	Very high	88	Confident	1 Å²	1	57.1 Å²	57.1	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	-66.9	168.9	-64.4	-75.8	0	0	0	108.1	Y91 Q93 S421	Y91-H393 AromaticContact CD1-CE1 3.6Å; Q93-H393 VanDerWaalsContact CD-O 3.23Å; Q93-H393 PolarHBondContact NE2-O 3.05Å; Q93-H393 PolarHBondContact OE1-O 3.24Å; H393-S421 WeakPolarHBondContact CB-O 3.33Å; H393-S421 PolarHBondContact CD2-OG 2.87Å; H393-S421 PolarHBondContact N-O 3Å
394	N	98.4	Very high	86.8	Confident	5 Å²	5	61.6 Å²	61.6	3%	0.027	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	168.9	173.2	-166.1	28.6	0	0	0	111.3	Q109 Q115 Y321 A420 S421	Q109-N394 PolarHBondContact NE2-OD1 2.64Å; Q115-N394 PolarHBondContact O-ND2 2.58Å; Y321-N394 HydrophobicContact CE2-CB 4.06Å; Y321-N394 PolarHBondContact OH-ND2 2.85Å; N394-A420 VanDerWaalsContact O-CA 3.31Å; N394-A420 WeakPolarHBondContact O-CA 3.32Å; N394-S421 PolarHBondContact N-O 3.4Å; N394-S421 PolarHBondContact O-N 2.84Å; N394-S421 VanDerWaalsContact O-N 3.15Å
395	I	97.8	Very high	86	Confident	2 Å²	2	56.8 Å²	56.8	1%	0.01	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	108	165	-56.9	174.5	0	0	0	106.6	I110 Q115 L392 P397 W414 V418 A420 L496 N500	I110-I395 HydrophobicContact CG2-CB 4.21Å; Q115-I395 WeakPolarHBondContact CB-O 3.45Å; Q115-I395 WeakPolarHBondContact CG-O 3.33Å; L392-I395 HydrophobicContact CD1-CD1 4.11Å; L392-I395 HydrophobicContact CD1-CG1 3.94Å; L392-I395 HydrophobicContact CD2-CD1 4.27Å; L392-I395 HydrophobicContact CD2-CG1 4.25Å; I395-P397 WeakPolarHBondContact O-CD 3.45Å; I395-W414 HydrophobicContact CD1-CH2 4.07Å; I395-W414 HydrophobicContact CG1-CH2 4.49Å; I395-W414 HydrophobicContact CG2-CH2 3.81Å; I395-W414 HydrophobicContact CG2-CZ2 4.1Å; I395-V418 HydrophobicContact CG2-CG1 3.92Å; I395-A420 HydrophobicContact CG1-CB 4.19Å; I395-L496 HydrophobicContact CD1-CD2 4.44Å; I395-L496 HydrophobicContact CG1-CD2 4.37Å; I395-N500 HydrophobicContact CD1-CB 4.03Å
396	D	95.3	Very high	85.7	Confident	6 Å²	6	49.8 Å²	49.8	3%	0.032	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	99.2	176.8	-171.9	-14.8	0	0	0	110.5	H116 L398 Y399 Q419	H116-D396 WeakPolarHBondContact CA-OD2 3.37Å; H116-D396 IonicContact CE1-OD2 3.2Å; H116-D396 IonicContact CG-OD1 3.34Å; H116-D396 IonicContact CG-OD2 3.27Å; H116-D396 IonicContact ND1-OD1 3.59Å; H116-D396 PolarHBondContact ND1-OD1 3.27Å; H116-D396 IonicContact ND1-OD2 2.8Å; H116-D396 PolarHBondContact ND1-OD2 2.87Å; D396-L398 VanDerWaalsContact C-N 3.27Å; D396-L398 PolarHBondContact O-N 2.82Å; D396-L398 WeakPolarHBondContact OD1-CA 3.15Å; D396-L398 WeakPolarHBondContact OD1-CB 3.37Å; D396-L398 PolarHBondContact OD1-N 2.92Å; D396-Y399 PolarHBondContact OD1-N 3.11Å; D396-Y399 VanDerWaalsContact OD1-N 3.11Å; D396-Q419 HydrophobicContact CB-CB 4.47Å; D396-Q419 PolarHBondContact N-O 3.26Å
397	P	88.9	Confident	85.3	Confident	65 Å²	65	53.2 Å²	53.2	42%	0.422	28%	0.275	S	S	.	.	S	Bend	trans	-77.4	-9.1	177.9	33.2	-36.5	0	0	0	113.6	I395 V506	I395-P397 WeakPolarHBondContact O-CD 3.45Å; P397-V506 HydrophobicContact CG-CG2 3.68Å
398	L	84.5	Confident	85	Confident	92 Å²	92	58.3 Å²	58.3	48%	0.482	29%	0.294	S	S	.	.	S	Bend	trans	-89.1	-25.2	176.9	-58.4	-173.6	0	0	0	111.8	H116 D396 N400 V506	H116-L398 HydrophobicContact CB-CB 4.38Å; H116-L398 HydrophobicContact CB-CD1 4Å; H116-L398 HydrophobicContact CB-CG 4.5Å; D396-L398 VanDerWaalsContact C-N 3.27Å; D396-L398 PolarHBondContact O-N 2.82Å; D396-L398 WeakPolarHBondContact OD1-CA 3.15Å; D396-L398 WeakPolarHBondContact OD1-CB 3.37Å; D396-L398 PolarHBondContact OD1-N 2.92Å; L398-N400 PolarHBondContact O-N 3.02Å; L398-V506 HydrophobicContact CD1-CB 4.08Å; L398-V506 HydrophobicContact CD1-CG1 3.76Å; L398-V506 HydrophobicContact CG-CB 4.41Å; L398-V506 HydrophobicContact CG-CG1 4.39Å; L398-V506 HydrophobicContact CG-CG2 4.38Å
399	Y	67.7	Low	84.5	Confident	73 Å²	73	61.9 Å²	61.9	29%	0.286	31%	0.313	S	S	.	.			trans	-80.5	56.5	176.5	-156.2	-96.1	0	0	0	113.2	D396 H401 Q419 D433	D396-Y399 PolarHBondContact OD1-N 3.11Å; D396-Y399 VanDerWaalsContact OD1-N 3.11Å; Y399-H401 AromaticContact CD1-CD2 3.86Å; Y399-H401 AromaticContact CD2-CD2 3.81Å; Y399-H401 HydrophobicContact CE1-CB 4.24Å; Y399-H401 AromaticContact CE1-CD2 3.62Å; Y399-H401 AromaticContact CE2-CD2 3.55Å; Y399-H401 AromaticContact CE2-NE2 3.88Å; Y399-H401 AromaticContact CG-CD2 3.96Å; Y399-H401 AromaticContact CZ-CD2 3.45Å; Y399-H401 VanDerWaalsContact CZ-CD2 3.45Å; Y399-H401 PolarHBondContact O-N 3.21Å; Y399-H401 VanDerWaalsContact O-N 3.1Å; Y399-Q419 HydrophobicContact CD1-CB 4.2Å; Y399-Q419 HydrophobicContact CD1-CG 4.31Å; Y399-D433 HydrophobicContact CE1-CB 4.15Å
400	N	58.3	Low	84.3	Confident	103 Å²	103	57.4 Å²	57.4	55%	0.551	29%	0.286	S	S	*	.			trans	-87.2	69.1	-178.6	-168.5	-0.6	0	0	0	112.4	L398	L398-N400 PolarHBondContact O-N 3.02Å
401	H	55.2	Low	84.2	Confident	116 Å²	116	60.6 Å²	60.6	54%	0.537	30%	0.3	S	S	.	.			trans	-95	-14.3	175.3	-76.1	-77.5	0	0	0	113.9	Y399 K403 D433	Y399-H401 AromaticContact CD1-CD2 3.86Å; Y399-H401 AromaticContact CD2-CD2 3.81Å; Y399-H401 HydrophobicContact CE1-CB 4.24Å; Y399-H401 AromaticContact CE1-CD2 3.62Å; Y399-H401 AromaticContact CE2-CD2 3.55Å; Y399-H401 AromaticContact CE2-NE2 3.88Å; Y399-H401 AromaticContact CG-CD2 3.96Å; Y399-H401 AromaticContact CZ-CD2 3.45Å; Y399-H401 VanDerWaalsContact CZ-CD2 3.45Å; Y399-H401 PolarHBondContact O-N 3.21Å; Y399-H401 VanDerWaalsContact O-N 3.1Å; H401-K403 PolarHBondContact O-N 3.41Å; H401-D433 HydrophobicContact CB-CB 4.26Å
402	A	58.6	Low	84	Confident	13 Å²	13	63.2 Å²	63.2	11%	0.107	33%	0.326	C	S	.	.			trans	-78.3	80	-178.7	0	0	0	0	0	112.5	Y404 G405 G432	A402-Y404 PolarHBondContact O-N 3.13Å; A402-G405 PolarHBondContact O-N 3.06Å; A402-G405 VanDerWaalsContact O-N 3.14Å; A402-G432 VanDerWaalsContact CB-C 3.49Å
403	K	63.9	Low	84	Confident	183 Å²	183	65.3 Å²	65.3	80%	0.796	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-5	177.8	-64.8	-176	178.3	-178.1	0	116.2	H401	H401-K403 PolarHBondContact O-N 3.41Å
404	Y	72.2	Confident	83.9	Confident	124 Å²	124	65.9 Å²	65.9	49%	0.486	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.7	21.3	-172.6	-48.5	-75.1	0	0	0	112.1	A402 L462 R463 S465	A402-Y404 PolarHBondContact O-N 3.13Å; Y404-L462 VanDerWaalsContact CD2-O 3.25Å; Y404-L462 WeakPolarHBondContact CD2-O 3.22Å; Y404-L462 WeakPolarHBondContact CE2-O 3.28Å; Y404-R463 WeakPolarHBondContact CB-O 3.18Å; Y404-R463 HydrophobicContact CD1-CG 3.97Å; Y404-R463 HydrophobicContact CD2-CB 4.39Å; Y404-R463 HydrophobicContact CD2-CG 4.24Å; Y404-R463 HydrophobicContact CE1-CG 4.21Å; Y404-R463 HydrophobicContact CE2-CG 4.45Å; Y404-R463 HydrophobicContact CG-CB 4.1Å; Y404-R463 HydrophobicContact CG-CG 3.96Å; Y404-S465 PolarHBondContact O-OG 3.08Å; Y404-S465 VanDerWaalsContact O-OG 3.13Å
405	G	83	Confident	83.7	Confident	17 Å²	17	68.9 Å²	68.9	18%	0.175	36%	0.355	C	S	.	.			trans	-97	151.8	163.7	0	0	0	0	0	111.1	A402 T416	A402-G405 PolarHBondContact O-N 3.06Å; A402-G405 VanDerWaalsContact O-N 3.14Å; G405-T416 WeakPolarHBondContact CA-OG1 3.34Å
406	S	88.9	Confident	83.5	Confident	36 Å²	36	68.8 Å²	68.8	25%	0.252	36%	0.355	S	S	.	.			trans	-152.2	175.3	178.9	78.7	0	0	0	0	111.8	E408 D409 N415 T416	S406-E408 VanDerWaalsContact C-N 3.33Å; S406-E408 PolarHBondContact OG-N 3.25Å; S406-E408 VanDerWaalsContact OG-N 3.12Å; S406-D409 VanDerWaalsContact CB-OD2 3.27Å; S406-D409 WeakPolarHBondContact CB-OD2 3.29Å; S406-D409 PolarHBondContact N-OD2 3.09Å; S406-D409 VanDerWaalsContact OG-CG 3.25Å; S406-D409 PolarHBondContact OG-N 2.95Å; S406-D409 VanDerWaalsContact OG-N 3.1Å; S406-D409 PolarHBondContact OG-OD2 2.97Å; S406-N415 WeakPolarHBondContact CA-OD1 3.4Å; S406-T416 PolarHBondContact N-OG1 2.87Å; S406-T416 PolarHBondContact O-N 2.8Å; S406-T416 PolarHBondContact O-OG1 3.16Å
407	L	90.9	Very high	83.3	Confident	93 Å²	93	68.8 Å²	68.8	49%	0.487	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-22.7	170.2	-174.9	58.5	0	0	0	112.3	G410 G412	L407-G410 CarbonylContact O-C 3.56Å; L407-G412 WeakPolarHBondContact O-CA 3.15Å; L407-G412 PolarHBondContact O-N 3.3Å
408	E	91.1	Very high	83.5	Confident	173 Å²	173	67 Å²	67	81%	0.808	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-46.2	179.7	-171.9	172.3	177.6	0	0	110.9	S406 G410 F411	S406-E408 VanDerWaalsContact C-N 3.33Å; S406-E408 PolarHBondContact OG-N 3.25Å; S406-E408 VanDerWaalsContact OG-N 3.12Å; E408-G410 PolarHBondContact O-N 2.85Å; E408-F411 PolarHBondContact O-N 3.04Å
409	D	89	Confident	84	Confident	81 Å²	81	63.1 Å²	63.1	43%	0.433	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.3	172.7	-55.1	-61.9	0	0	0	112	S406 F411 T416 M466	S406-D409 VanDerWaalsContact CB-OD2 3.27Å; S406-D409 WeakPolarHBondContact CB-OD2 3.29Å; S406-D409 PolarHBondContact N-OD2 3.09Å; S406-D409 VanDerWaalsContact OG-CG 3.25Å; S406-D409 PolarHBondContact OG-N 2.95Å; S406-D409 VanDerWaalsContact OG-N 3.1Å; S406-D409 PolarHBondContact OG-OD2 2.97Å; D409-F411 VanDerWaalsContact C-N 3.26Å; D409-F411 PolarHBondContact O-N 2.9Å; D409-T416 HydrophobicContact CB-CG2 4.11Å; D409-M466 WeakPolarHBondContact O-CE 3.19Å
410	G	92.4	Very high	85.4	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	21.1	173.7	0	0	0	0	0	114.7	L407 E408 G412 I413 W414	L407-G410 CarbonylContact O-C 3.56Å; E408-G410 PolarHBondContact O-N 2.85Å; G410-G412 PolarHBondContact O-N 3.4Å; G410-I413 WeakPolarHBondContact O-CB 3.18Å; G410-I413 PolarHBondContact O-N 3.11Å; G410-W414 WeakPolarHBondContact CA-O 3.33Å; G410-W414 PolarHBondContact O-N 2.99Å
411	F	95.8	Very high	87.3	Confident	90 Å²	90	54.8 Å²	54.8	40%	0.395	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	26.2	179	-53.8	-78.3	0	0	0	115.2	E408 D409 I413 P486 V489 R490 L493	E408-F411 PolarHBondContact O-N 3.04Å; D409-F411 VanDerWaalsContact C-N 3.26Å; D409-F411 PolarHBondContact O-N 2.9Å; F411-I413 HydrophobicContact CB-CD1 4.27Å; F411-I413 HydrophobicContact CB-CG1 4.49Å; F411-I413 PolarHBondContact O-N 3.41Å; F411-P486 HydrophobicContact CZ-CB 4.07Å; F411-V489 HydrophobicContact CD2-CG1 4.38Å; F411-V489 HydrophobicContact CE2-CB 4.48Å; F411-V489 HydrophobicContact CE2-CG1 3.77Å; F411-R490 HydrophobicContact CB-CG 4.32Å; F411-R490 HydrophobicContact CD2-CG 3.58Å; F411-R490 HydrophobicContact CE2-CG 4.01Å; F411-R490 HydrophobicContact CG-CG 3.96Å; F411-L493 HydrophobicContact CD2-CD1 4.02Å
412	G	95.8	Very high	89.4	Confident	54 Å²	54	49.2 Å²	49.2	56%	0.557	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	0.6	-173.1	0	0	0	0	0	114.7	L407 G410	L407-G412 WeakPolarHBondContact O-CA 3.15Å; L407-G412 PolarHBondContact O-N 3.3Å; G410-G412 PolarHBondContact O-N 3.4Å
413	I	97.1	Very high	91.3	Very high	45 Å²	45	49 Å²	49	23%	0.231	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-46	-174.4	-59.5	168.6	0	0	0	111.2	G410 F411 R490 L493 M494 V497	G410-I413 WeakPolarHBondContact O-CB 3.18Å; G410-I413 PolarHBondContact O-N 3.11Å; F411-I413 HydrophobicContact CB-CD1 4.27Å; F411-I413 HydrophobicContact CB-CG1 4.49Å; F411-I413 PolarHBondContact O-N 3.41Å; I413-R490 HydrophobicContact CD1-CB 4.02Å; I413-R490 HydrophobicContact CD1-CG 4.01Å; I413-L493 HydrophobicContact CB-CB 4.3Å; I413-L493 HydrophobicContact CG2-CB 3.84Å; I413-M494 HydrophobicContact CD1-CG 4.25Å; I413-M494 HydrophobicContact CD1-SD 4.38Å; I413-M494 HydrophobicContact CG1-SD 4.31Å; I413-M494 HydrophobicContact CG2-CG 3.96Å; I413-M494 HydrophobicContact CG2-SD 3.53Å; I413-M494 VanDerWaalsContact CG2-SD 3.53Å; I413-V497 HydrophobicContact CG2-CG2 3.74Å; I413-V497 WeakPolarHBondContact O-CG2 3.23Å
414	W	96.6	Very high	92.9	Very high	13 Å²	13	42.3 Å²	42.3	5%	0.049	23%	0.228	C	C	.	.			trans	-143.3	143.4	-168.6	-179.8	-102.8	0	0	0	110.7	I395 G410 T416 V418 A420 T431 L493 L496 V497 N500	I395-W414 HydrophobicContact CD1-CH2 4.07Å; I395-W414 HydrophobicContact CG1-CH2 4.49Å; I395-W414 HydrophobicContact CG2-CH2 3.81Å; I395-W414 HydrophobicContact CG2-CZ2 4.1Å; G410-W414 WeakPolarHBondContact CA-O 3.33Å; G410-W414 PolarHBondContact O-N 2.99Å; W414-T416 PolarHBondContact O-N 3.31Å; W414-V418 HydrophobicContact CZ2-CB 4.04Å; W414-V418 HydrophobicContact CZ2-CG1 3.86Å; W414-A420 HydrophobicContact CZ2-CB 3.95Å; W414-T431 PolarHBondContact NE1-OG1 3.32Å; W414-T431 VanDerWaalsContact NE1-OG1 3.16Å; W414-L493 HydrophobicContact CB-CB 4.07Å; W414-L493 HydrophobicContact CB-CD2 3.83Å; W414-L493 HydrophobicContact CB-CG 4.38Å; W414-L493 HydrophobicContact CG-CD2 3.97Å; W414-L496 HydrophobicContact CD2-CB 3.94Å; W414-L496 HydrophobicContact CD2-CD1 4.28Å; W414-L496 HydrophobicContact CE3-CB 3.88Å; W414-L496 HydrophobicContact CG-CD1 4.49Å; W414-L496 HydrophobicContact CH2-CB 4.16Å; W414-L496 HydrophobicContact CZ2-CB 4.2Å; W414-L496 HydrophobicContact CZ2-CD1 4.27Å; W414-L496 HydrophobicContact CZ3-CB 4Å; W414-V497 HydrophobicContact CE3-CG2 3.9Å; W414-N500 HydrophobicContact CH2-CB 3.98Å; W414-N500 HydrophobicContact CZ3-CB 3.65Å
415	N	94.3	Very high	94.1	Very high	67 Å²	67	38.2 Å²	38.2	36%	0.358	22%	0.223	S	C	.	.			trans	-82.4	106.5	173.6	-178.1	2.7	0	0	0	110	S406 A417 V418	S406-N415 WeakPolarHBondContact CA-OD1 3.4Å; N415-A417 PolarHBondContact O-N 3.47Å; N415-A417 WeakPolarHBondContact OD1-CB 3.17Å; N415-A417 PolarHBondContact OD1-N 2.81Å; N415-A417 VanDerWaalsContact OD1-N 3.11Å; N415-V418 HydrophobicContact CB-CG2 4.32Å; N415-V418 WeakPolarHBondContact O-CB 3.21Å; N415-V418 PolarHBondContact O-N 2.72Å
416	T	93.8	Very high	94.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-5.6	-177.1	65.4	0	0	0	0	113.8	G405 S406 D409 W414 V418 G432 S465 M466	G405-T416 WeakPolarHBondContact CA-OG1 3.34Å; S406-T416 PolarHBondContact N-OG1 2.87Å; S406-T416 PolarHBondContact O-N 2.8Å; S406-T416 PolarHBondContact O-OG1 3.16Å; D409-T416 HydrophobicContact CB-CG2 4.11Å; W414-T416 PolarHBondContact O-N 3.31Å; T416-V418 VanDerWaalsContact C-N 3.29Å; T416-G432 WeakPolarHBondContact O-CA 3.48Å; T416-G432 PolarHBondContact O-N 3.09Å; T416-S465 PolarHBondContact OG1-OG 3.15Å; T416-M466 HydrophobicContact CG2-CE 3.52Å
417	A	91.8	Very high	95.2	Very high	6 Å²	6	41.2 Å²	41.2	5%	0.05	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-23.5	169.5	0	0	0	0	0	113.1	N415 Q419	N415-A417 PolarHBondContact O-N 3.47Å; N415-A417 WeakPolarHBondContact OD1-CB 3.17Å; N415-A417 PolarHBondContact OD1-N 2.81Å; N415-A417 VanDerWaalsContact OD1-N 3.11Å; A417-Q419 PolarHBondContact O-N 3.2Å
418	V	93.3	Very high	95.6	Very high	29 Å²	29	36.8 Å²	36.8	18%	0.176	20%	0.204	C	C	.	.	S	Bend	trans	-71.6	127.5	-179.8	178.6	0	0	0	0	109.8	I395 W414 N415 T416 A420 T431 G432	I395-V418 HydrophobicContact CG2-CG1 3.92Å; W414-V418 HydrophobicContact CZ2-CB 4.04Å; W414-V418 HydrophobicContact CZ2-CG1 3.86Å; N415-V418 HydrophobicContact CB-CG2 4.32Å; N415-V418 WeakPolarHBondContact O-CB 3.21Å; N415-V418 PolarHBondContact O-N 2.72Å; T416-V418 VanDerWaalsContact C-N 3.29Å; V418-A420 PolarHBondContact O-N 3.02Å; V418-A420 VanDerWaalsContact O-N 3.11Å; V418-T431 CarbonylContact O-C 3.47Å; V418-T431 VanDerWaalsContact O-C 3.29Å; V418-T431 PolarHBondContact O-OG1 3.27Å; V418-G432 WeakPolarHBondContact O-CA 3.42Å; V418-G432 PolarHBondContact O-N 3.24Å
419	Q	93.6	Very high	95.9	Very high	10 Å²	10	28.5 Å²	28.5	5%	0.047	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	109.6	172.8	-174.6	-169	71	0	0	109.3	Y321 D396 Y399 A417 T431 D433	Y321-Q419 HydrophobicContact CD2-CG 4.04Å; Y321-Q419 HydrophobicContact CE2-CG 3.55Å; Y321-Q419 PolarHBondContact OH-OE1 3.01Å; D396-Q419 HydrophobicContact CB-CB 4.47Å; D396-Q419 PolarHBondContact N-O 3.26Å; Y399-Q419 HydrophobicContact CD1-CB 4.2Å; Y399-Q419 HydrophobicContact CD1-CG 4.31Å; A417-Q419 PolarHBondContact O-N 3.2Å; Q419-T431 WeakPolarHBondContact CA-O 3.32Å; Q419-D433 WeakPolarHBondContact CG-O 3.4Å; Q419-D433 PolarHBondContact NE2-O 3.4Å
420	A	97.2	Very high	96.3	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	157.2	176.6	0	0	0	0	0	111.2	N394 I395 W414 V418 L430 T431 L496	N394-A420 VanDerWaalsContact O-CA 3.31Å; N394-A420 WeakPolarHBondContact O-CA 3.32Å; I395-A420 HydrophobicContact CG1-CB 4.19Å; W414-A420 HydrophobicContact CZ2-CB 3.95Å; V418-A420 PolarHBondContact O-N 3.02Å; V418-A420 VanDerWaalsContact O-N 3.11Å; A420-L430 WeakPolarHBondContact O-CA 3.46Å; A420-T431 PolarHBondContact N-O 2.82Å; A420-T431 VanDerWaalsContact N-O 3.09Å; A420-T431 PolarHBondContact O-N 2.68Å; A420-L496 HydrophobicContact CB-CD1 4.03Å; A420-L496 HydrophobicContact CB-CD2 3.97Å
421	S	98.4	Very high	96.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	139.9	171.4	173.1	0	0	0	0	110.2	Y321 H393 N394 L429	Y321-S421 VanDerWaalsContact CD2-CB 3.44Å; H393-S421 WeakPolarHBondContact CB-O 3.33Å; H393-S421 PolarHBondContact CD2-OG 2.87Å; H393-S421 PolarHBondContact N-O 3Å; N394-S421 PolarHBondContact N-O 3.4Å; N394-S421 PolarHBondContact O-N 2.84Å; N394-S421 VanDerWaalsContact O-N 3.15Å; S421-L429 WeakPolarHBondContact CA-O 3.47Å
422	I	98.8	Very high	96.3	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	145.3	-176	-170.3	166.5	0	0	0	110.1	I391 L392 V424 K428 L429 L492 R495 L496 Y499	I391-I422 CarbonylContact O-C 3.54Å; I391-I422 WeakPolarHBondContact O-CA 3.21Å; I391-I422 WeakPolarHBondContact O-CG1 3.31Å; L392-I422 HydrophobicContact CD1-CB 4.32Å; L392-I422 HydrophobicContact CD1-CD1 4.24Å; L392-I422 HydrophobicContact CD1-CG1 4.38Å; I422-V424 HydrophobicContact CG1-CG2 4.5Å; I422-K428 CarbonylContact O-C 3.59Å; I422-K428 WeakPolarHBondContact O-CA 3.2Å; I422-L429 HydrophobicContact CG2-CB 3.97Å; I422-L429 HydrophobicContact CG2-CD2 4.35Å; I422-L429 PolarHBondContact N-O 2.92Å; I422-L429 PolarHBondContact O-N 3.32Å; I422-L492 HydrophobicContact CG2-CB 4.39Å; I422-R495 HydrophobicContact CD1-CB 3.54Å; I422-L496 HydrophobicContact CB-CD2 3.79Å; I422-L496 HydrophobicContact CB-CG 4.41Å; I422-L496 HydrophobicContact CD1-CD2 4.21Å; I422-L496 HydrophobicContact CG2-CD1 4.41Å; I422-L496 HydrophobicContact CG2-CD2 3.82Å; I422-L496 HydrophobicContact CG2-CG 3.9Å; I422-Y499 HydrophobicContact CD1-CD2 3.76Å; I422-Y499 HydrophobicContact CD1-CE2 3.82Å
423	R	98.4	Very high	96	Very high	8 Å²	8	20.3 Å²	20.3	3%	0.03	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	132.6	173.6	-175.6	-171.7	163.4	170.7	-4.3	110.7	N89 Y91 E390 I391 G425 W427 K428	N89-R423 PolarHBondContact OD1-NH1 3.12Å; N89-R423 PolarHBondContact OD1-NH2 3.49Å; Y91-R423 VanDerWaalsContact CZ-NH1 3.33Å; Y91-R423 PolarHBondContact OH-NH1 2.72Å; E390-R423 CarbonylContact C-O 3.59Å; E390-R423 VanDerWaalsContact CA-O 3.31Å; E390-R423 WeakPolarHBondContact CA-O 3.44Å; I391-R423 PolarHBondContact N-O 3.01Å; I391-R423 PolarHBondContact O-N 3.25Å; R423-G425 VanDerWaalsContact CZ-O 3.3Å; R423-G425 PolarHBondContact NE-O 2.64Å; R423-G425 PolarHBondContact NH2-O 3.18Å; R423-W427 CarbonylContact C-O 3.58Å; R423-W427 VanDerWaalsContact CA-O 3.23Å; R423-W427 WeakPolarHBondContact CA-O 3.47Å; R423-W427 VanDerWaalsContact CG-O 3.28Å; R423-W427 WeakPolarHBondContact CG-O 3.48Å; R423-K428 HydrophobicContact CB-CB 4.36Å; R423-K428 HydrophobicContact CB-CG 4.39Å; R423-K428 HydrophobicContact CG-CB 4.33Å
424	V	98.5	Very high	95.7	Very high	43 Å²	43	18.3 Å²	18.3	26%	0.261	10%	0.103	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	115.5	172.5	-174.1	0	0	0	0	109	E390 I422 E426 W427 L492 R495	E390-V424 HydrophobicContact CB-CG2 4.38Å; E390-V424 HydrophobicContact CG-CG2 3.9Å; E390-V424 WeakPolarHBondContact OE1-CG2 3.47Å; I422-V424 HydrophobicContact CG1-CG2 4.5Å; V424-E426 PolarHBondContact O-N 3.42Å; V424-E426 VanDerWaalsContact O-N 3.15Å; V424-W427 PolarHBondContact N-O 2.76Å; V424-W427 PolarHBondContact O-N 2.75Å; V424-L492 HydrophobicContact CB-CD2 3.68Å; V424-L492 HydrophobicContact CG2-CD2 3.36Å; V424-R495 HydrophobicContact CG2-CG 4.37Å
425	G	96.5	Very high	95.3	Very high	37 Å²	37	18.2 Å²	18.2	38%	0.381	11%	0.106	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	-113.9	-176	0	0	0	0	0	112.3	T389 R423	T389-G425 PolarHBondContact O-N 2.8Å; R423-G425 VanDerWaalsContact CZ-O 3.3Å; R423-G425 PolarHBondContact NE-O 2.64Å; R423-G425 PolarHBondContact NH2-O 3.18Å
426	E	97.4	Very high	94.9	Very high	80 Å²	80	21.8 Å²	21.8	37%	0.374	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-21.6	175.8	67.8	-172	158.7	0	0	113.6	V424 N470 I471 T472	V424-E426 PolarHBondContact O-N 3.42Å; V424-E426 VanDerWaalsContact O-N 3.15Å; E426-N470 CarbonylContact O-C 3.6Å; E426-N470 WeakPolarHBondContact O-CA 3.28Å; E426-N470 PolarHBondContact OE2-ND2 2.93Å; E426-I471 PolarHBondContact O-N 2.78Å; E426-T472 WeakPolarHBondContact CA-OG1 3.15Å; E426-T472 WeakPolarHBondContact CB-OG1 3.49Å
427	W	98.7	Very high	94.4	Very high	36 Å²	36	23.2 Å²	23.2	14%	0.136	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	137.5	-169.5	-61.5	96.4	0	0	0	112.4	R423 V424 L468 F469 N470 L481 R485 V488 L492	R423-W427 CarbonylContact C-O 3.58Å; R423-W427 VanDerWaalsContact CA-O 3.23Å; R423-W427 WeakPolarHBondContact CA-O 3.47Å; R423-W427 VanDerWaalsContact CG-O 3.28Å; R423-W427 WeakPolarHBondContact CG-O 3.48Å; V424-W427 PolarHBondContact N-O 2.76Å; V424-W427 PolarHBondContact O-N 2.75Å; W427-L468 HydrophobicContact CB-CD1 4.32Å; W427-L468 HydrophobicContact CE3-CD1 3.92Å; W427-L468 HydrophobicContact CE3-CD2 4.08Å; W427-L468 HydrophobicContact CE3-CG 3.94Å; W427-L468 HydrophobicContact CZ3-CD2 4.24Å; W427-L468 HydrophobicContact CZ3-CG 4.33Å; W427-F469 CarbonylContact C-O 3.52Å; W427-F469 WeakPolarHBondContact CA-O 3.27Å; W427-N470 HydrophobicContact CE3-CB 4.13Å; W427-N470 HydrophobicContact CH2-CB 4.09Å; W427-N470 HydrophobicContact CZ3-CB 3.9Å; W427-L481 HydrophobicContact CH2-CD1 4.07Å; W427-L481 HydrophobicContact CZ3-CB 4.41Å; W427-L481 HydrophobicContact CZ3-CD1 3.7Å; W427-R485 HydrophobicContact CH2-CG 4.35Å; W427-V488 HydrophobicContact CB-CG1 4Å; W427-V488 HydrophobicContact CD2-CG1 3.74Å; W427-V488 HydrophobicContact CD2-CG2 4.43Å; W427-V488 HydrophobicContact CE3-CG1 4.03Å; W427-V488 HydrophobicContact CG-CG1 3.68Å; W427-L492 HydrophobicContact CB-CD1 3.93Å
428	K	98.8	Very high	94.1	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	125.3	173.4	-175.5	-173.7	179.4	-172.3	0	110.3	Y321 E323 I422 R423 L430 L468 F469 I471 E477	Y321-K428 WeakPolarHBondContact O-CE 3.43Å; Y321-K428 PolarHBondContact O-NZ 3.36Å; E323-K428 IonicContact OE1-NZ 2.76Å; E323-K428 PolarHBondContact OE1-NZ 2.82Å; I422-K428 CarbonylContact O-C 3.59Å; I422-K428 WeakPolarHBondContact O-CA 3.2Å; R423-K428 HydrophobicContact CB-CB 4.36Å; R423-K428 HydrophobicContact CB-CG 4.39Å; R423-K428 HydrophobicContact CG-CB 4.33Å; K428-L430 HydrophobicContact CD-CD1 4.31Å; K428-L430 HydrophobicContact CG-CD1 4.22Å; K428-L468 CarbonylContact O-C 3.58Å; K428-L468 WeakPolarHBondContact O-CA 3.28Å; K428-F469 PolarHBondContact N-O 3.16Å; K428-F469 PolarHBondContact O-N 3.19Å; K428-I471 HydrophobicContact CB-CD1 4.12Å; K428-I471 HydrophobicContact CB-CG1 3.45Å; K428-I471 VanDerWaalsContact CB-CG1 3.45Å; K428-I471 HydrophobicContact CD-CD1 3.93Å; K428-I471 HydrophobicContact CD-CG1 3.89Å; K428-I471 HydrophobicContact CG-CG1 4.33Å; K428-E477 WeakPolarHBondContact CE-OE1 3.34Å; K428-E477 IonicContact NZ-OE1 3.64Å; K428-E477 PolarHBondContact NZ-OE1 2.78Å
429	L	98.8	Very high	94	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	137.9	175.1	179.9	84.6	0	0	0	109.2	S421 I422 T431 M466 W467 L468 V489 L492 L493 L496	S421-L429 WeakPolarHBondContact CA-O 3.47Å; I422-L429 HydrophobicContact CG2-CB 3.97Å; I422-L429 HydrophobicContact CG2-CD2 4.35Å; I422-L429 PolarHBondContact N-O 2.92Å; I422-L429 PolarHBondContact O-N 3.32Å; L429-T431 HydrophobicContact CD2-CG2 4.29Å; L429-T431 HydrophobicContact CG-CG2 4.47Å; L429-M466 HydrophobicContact CD1-CG 3.89Å; L429-M466 HydrophobicContact CD1-SD 4.18Å; L429-W467 WeakPolarHBondContact CA-O 3.48Å; L429-L468 HydrophobicContact CB-CD1 4.45Å; L429-L468 HydrophobicContact CD1-CB 4.43Å; L429-V489 HydrophobicContact CD1-CG1 4.34Å; L429-V489 HydrophobicContact CD1-CG2 4.39Å; L429-L492 HydrophobicContact CB-CB 3.89Å; L429-L492 HydrophobicContact CB-CD1 3.71Å; L429-L492 HydrophobicContact CB-CG 4.45Å; L429-L492 HydrophobicContact CD2-CB 3.73Å; L429-L492 HydrophobicContact CG-CB 4.33Å; L429-L493 HydrophobicContact CD2-CD2 3.62Å; L429-L493 HydrophobicContact CD2-CG 4.04Å; L429-L496 HydrophobicContact CD2-CD1 3.92Å
430	L	97.6	Very high	93.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141.6	170.2	-53.5	92.3	0	0	0	109.4	W322 A420 K428 P434 M466 W467 F469	W322-L430 HydrophobicContact CD2-CD2 4.33Å; W322-L430 HydrophobicContact CE3-CD2 4Å; W322-L430 HydrophobicContact CZ3-CD1 4.38Å; W322-L430 HydrophobicContact CZ3-CD2 4.25Å; A420-L430 WeakPolarHBondContact O-CA 3.46Å; K428-L430 HydrophobicContact CD-CD1 4.31Å; K428-L430 HydrophobicContact CG-CD1 4.22Å; L430-P434 HydrophobicContact CB-CG 3.99Å; L430-P434 HydrophobicContact CD2-CB 3.85Å; L430-P434 HydrophobicContact CD2-CG 4.17Å; L430-M466 VanDerWaalsContact O-CA 3.31Å; L430-M466 WeakPolarHBondContact O-CA 3.17Å; L430-W467 HydrophobicContact CB-CE3 4.35Å; L430-W467 HydrophobicContact CD1-CB 4.49Å; L430-W467 PolarHBondContact N-O 3.39Å; L430-W467 PolarHBondContact O-N 3.32Å; L430-F469 HydrophobicContact CD1-CD2 3.82Å; L430-F469 HydrophobicContact CD1-CE2 3.85Å
431	T	95.6	Very high	93.4	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	162.7	172.2	69.9	0	0	0	0	111.8	W414 V418 Q419 A420 L429 S465 M466 L493 L496	W414-T431 PolarHBondContact NE1-OG1 3.32Å; W414-T431 VanDerWaalsContact NE1-OG1 3.16Å; V418-T431 CarbonylContact O-C 3.47Å; V418-T431 VanDerWaalsContact O-C 3.29Å; V418-T431 PolarHBondContact O-OG1 3.27Å; Q419-T431 WeakPolarHBondContact CA-O 3.32Å; A420-T431 PolarHBondContact N-O 2.82Å; A420-T431 VanDerWaalsContact N-O 3.09Å; A420-T431 PolarHBondContact O-N 2.68Å; L429-T431 HydrophobicContact CD2-CG2 4.29Å; L429-T431 HydrophobicContact CG-CG2 4.47Å; T431-S465 CarbonylContact C-O 3.45Å; T431-S465 VanDerWaalsContact CA-O 3.29Å; T431-S465 WeakPolarHBondContact CA-O 3.32Å; T431-M466 HydrophobicContact CG2-CG 4.3Å; T431-L493 HydrophobicContact CG2-CD2 4.01Å; T431-L496 HydrophobicContact CG2-CD1 4.23Å
432	G	92	Very high	92.6	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.01	14%	0.144	C	C	.	.	S	Bend	trans	80.2	-136	178.5	0	0	0	0	0	111.8	A402 T416 V418 P434 S465	A402-G432 VanDerWaalsContact CB-C 3.49Å; T416-G432 WeakPolarHBondContact O-CA 3.48Å; T416-G432 PolarHBondContact O-N 3.09Å; V418-G432 WeakPolarHBondContact O-CA 3.42Å; V418-G432 PolarHBondContact O-N 3.24Å; G432-P434 WeakPolarHBondContact O-CD 3.32Å; G432-S465 PolarHBondContact N-O 3.38Å
433	D	90	Very high	91.6	Very high	52 Å²	52	29 Å²	29	28%	0.278	16%	0.156	S	C	.	.			trans	-106.9	101	169.7	176.7	-0.2	0	0	0	108.5	Y399 H401 Q419 G435	Y399-D433 HydrophobicContact CE1-CB 4.15Å; H401-D433 HydrophobicContact CB-CB 4.26Å; Q419-D433 WeakPolarHBondContact CG-O 3.4Å; Q419-D433 PolarHBondContact NE2-O 3.4Å; D433-G435 PolarHBondContact O-N 2.92Å; D433-G435 VanDerWaalsContact O-N 3.08Å; D433-G435 WeakPolarHBondContact OD1-CA 3.3Å; D433-G435 PolarHBondContact OD1-N 3.41Å
434	P	90.1	Very high	90.3	Very high	2 Å²	2	30 Å²	30	1%	0.013	16%	0.163	C	C	.	.			trans	-68.8	-1.1	179.1	-20	34.2	0	0	0	114.1	T320 Y321 W322 L430 G432 W467	T320-P434 CarbonylContact C-O 3.5Å; T320-P434 WeakPolarHBondContact CA-O 3.45Å; T320-P434 VanDerWaalsContact CB-O 3.28Å; T320-P434 WeakPolarHBondContact CB-O 3.48Å; Y321-P434 PolarHBondContact N-O 2.93Å; W322-P434 HydrophobicContact CD2-CB 4.37Å; W322-P434 HydrophobicContact CH2-CB 4.5Å; W322-P434 HydrophobicContact CH2-CG 4.32Å; W322-P434 HydrophobicContact CZ2-CB 3.76Å; W322-P434 HydrophobicContact CZ2-CG 3.86Å; L430-P434 HydrophobicContact CB-CG 3.99Å; L430-P434 HydrophobicContact CD2-CB 3.85Å; L430-P434 HydrophobicContact CD2-CG 4.17Å; G432-P434 WeakPolarHBondContact O-CD 3.32Å; P434-W467 VanDerWaalsContact CD-CZ3 3.41Å; P434-W467 HydrophobicContact CG-CE3 3.73Å; P434-W467 HydrophobicContact CG-CH2 4.16Å; P434-W467 HydrophobicContact CG-CZ3 3.44Å; P434-W467 VanDerWaalsContact CG-CZ3 3.44Å
435	G	87.8	Confident	88.6	Confident	11 Å²	11	31.2 Å²	31.2	11%	0.113	17%	0.167	C	C	.	.			trans	84.9	179.6	-172.8	0	0	0	0	0	113.2	W322 D433 S437	W322-G435 PolarHBondContact NE1-O 3.48Å; D433-G435 PolarHBondContact O-N 2.92Å; D433-G435 VanDerWaalsContact O-N 3.08Å; D433-G435 WeakPolarHBondContact OD1-CA 3.3Å; D433-G435 PolarHBondContact OD1-N 3.41Å; G435-S437 PolarHBondContact O-N 2.91Å; G435-S437 VanDerWaalsContact O-N 3.07Å
436	Y	85.3	Confident	86.7	Confident	142 Å²	142	32.6 Å²	32.6	56%	0.557	17%	0.169	S	C	*	.			trans	-47.7	112.4	-175.2	-67.4	-86.8	0	0	0	113.6	G316 R317 D438	G316-Y436 WeakPolarHBondContact CA-O 3.41Å; R317-Y436 VanDerWaalsContact NH2-CD2 3.29Å; Y436-D438 VanDerWaalsContact C-N 3.35Å; Y436-D438 PolarHBondContact O-N 3.17Å
437	S	84.4	Confident	84.5	Confident	31 Å²	31	35.8 Å²	35.8	22%	0.217	19%	0.188	C	C	.	.			trans	-94.8	15.8	-171.3	70.4	0	0	0	0	114.5	R315 W322 G435	R315-S437 VanDerWaalsContact CG-O 3.3Å; R315-S437 WeakPolarHBondContact CG-O 3.34Å; R315-S437 PolarHBondContact NE-O 3.29Å; R315-S437 PolarHBondContact NH2-OG 3.34Å; W322-S437 VanDerWaalsContact NE1-CB 3.34Å; G435-S437 PolarHBondContact O-N 2.91Å; G435-S437 VanDerWaalsContact O-N 3.07Å
438	D	84.8	Confident	82	Confident	13 Å²	13	39.6 Å²	39.6	7%	0.07	21%	0.206	C	C	.	.			trans	-67.6	132	178	-59.5	-55.9	0	0	0	111.1	G316 Y436 I440 R457	G316-D438 WeakPolarHBondContact CA-O 3.48Å; G316-D438 PolarHBondContact N-O 3.11Å; Y436-D438 VanDerWaalsContact C-N 3.35Å; Y436-D438 PolarHBondContact O-N 3.17Å; D438-I440 HydrophobicContact CB-CD1 4.16Å; D438-I440 HydrophobicContact CB-CG1 3.95Å; D438-R457 VanDerWaalsContact OD1-CG 3.28Å; D438-R457 WeakPolarHBondContact OD1-CG 3.47Å; D438-R457 IonicContact OD1-CZ 3.39Å; D438-R457 IonicContact OD1-NE 2.7Å; D438-R457 PolarHBondContact OD1-NE 2.88Å; D438-R457 IonicContact OD1-NH2 3.2Å; D438-R457 PolarHBondContact OD1-NH2 3Å; D438-R457 IonicContact OD2-CZ 3.9Å; D438-R457 IonicContact OD2-NE 3.9Å; D438-R457 IonicContact OD2-NH2 2.97Å; D438-R457 PolarHBondContact OD2-NH2 2.86Å
439	W	91.1	Very high	79.4	Confident	16 Å²	16	44.7 Å²	44.7	6%	0.061	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-81.7	132.3	157.7	-66.7	-95	0	0	0	108.7	W312 P313 R315 E456 L458 Y476 E477 R478	W312-W439 HydrophobicContact CE3-CB 4.43Å; W312-W439 HydrophobicContact CZ3-CB 3.91Å; P313-W439 VanDerWaalsContact O-CD1 3.28Å; R315-W439 HydrophobicContact CB-CD2 4.24Å; R315-W439 HydrophobicContact CB-CG 4.38Å; R315-W439 HydrophobicContact CB-CZ2 4.16Å; R315-W439 VanDerWaalsContact CD-CZ2 3.43Å; R315-W439 HydrophobicContact CG-CD2 3.85Å; R315-W439 HydrophobicContact CG-CE3 4.27Å; R315-W439 HydrophobicContact CG-CG 4.33Å; R315-W439 HydrophobicContact CG-CH2 4.31Å; R315-W439 HydrophobicContact CG-CZ2 3.87Å; R315-W439 HydrophobicContact CG-CZ3 4.48Å; R315-W439 VanDerWaalsContact CZ-CH2 3.43Å; W439-E456 VanDerWaalsContact CB-OE2 3.3Å; W439-E456 WeakPolarHBondContact CB-OE2 3.33Å; W439-E456 HydrophobicContact CE3-CB 3.91Å; W439-E456 VanDerWaalsContact CE3-O 3.24Å; W439-E456 VanDerWaalsContact CZ3-O 3.25Å; W439-E456 WeakPolarHBondContact CZ3-O 3.4Å; W439-L458 HydrophobicContact CH2-CD1 4.19Å; W439-Y476 VanDerWaalsContact CE2-O 3.28Å; W439-Y476 WeakPolarHBondContact CZ2-O 3.22Å; W439-Y476 PolarHBondContact NE1-O 3.47Å; W439-E477 WeakPolarHBondContact CH2-O 3.34Å; W439-E477 VanDerWaalsContact CZ2-O 3.24Å; W439-E477 WeakPolarHBondContact CZ2-O 3.17Å; W439-R478 HydrophobicContact CZ2-CB 4.41Å; W439-R478 VanDerWaalsContact CZ2-CD 3.43Å; W439-R478 HydrophobicContact CZ2-CG 3.87Å
440	I	89	Confident	76.9	Confident	20 Å²	20	47 Å²	47	10%	0.103	26%	0.263	C	S	.	.			trans	-127.2	102.6	-171.9	-58.9	174.5	0	0	0	109.5	T305 D438 T444	T305-I440 HydrophobicContact CG2-CB 4.13Å; T305-I440 HydrophobicContact CG2-CD1 3.97Å; T305-I440 HydrophobicContact CG2-CG2 4.16Å; T305-I440 VanDerWaalsContact OG1-CD1 3.29Å; T305-I440 WeakPolarHBondContact OG1-CD1 3.27Å; D438-I440 HydrophobicContact CB-CD1 4.16Å; D438-I440 HydrophobicContact CB-CG1 3.95Å; I440-T444 HydrophobicContact CG2-CG2 4.3Å
441	P	89.1	Confident	74.2	Confident	28 Å²	28	50.3 Å²	50.3	18%	0.182	29%	0.286	C	S	.	.			trans	-61.5	159.6	178.3	-23.3	32.9	0	0	0	113.2	W312 T444 W452	W312-P441 HydrophobicContact CD2-CB 4.24Å; W312-P441 HydrophobicContact CD2-CG 4.39Å; W312-P441 HydrophobicContact CE3-CB 4.09Å; W312-P441 HydrophobicContact CE3-CG 3.81Å; W312-P441 HydrophobicContact CH2-CG 4Å; W312-P441 HydrophobicContact CZ3-CB 4.32Å; W312-P441 HydrophobicContact CZ3-CG 3.59Å; P441-T444 WeakPolarHBondContact O-CB 3.41Å; P441-T444 PolarHBondContact O-OG1 2.67Å; P441-W452 HydrophobicContact CB-CH2 4.33Å; P441-W452 HydrophobicContact CB-CZ3 3.89Å; P441-W452 HydrophobicContact CG-CE3 4.37Å; P441-W452 HydrophobicContact CG-CH2 4.08Å; P441-W452 HydrophobicContact CG-CZ3 3.58Å
442	P	82.7	Confident	71.7	Confident	38 Å²	38	57.3 Å²	57.3	25%	0.247	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	155.6	175.7	-22.2	35.2	0	0	0	112.1	H63 W312 T444	H63-P442 WeakPolarHBondContact CD2-CG 3.1Å; W312-P442 HydrophobicContact CB-CG 4.17Å; W312-P442 HydrophobicContact CG-CG 4.33Å; P442-T444 PolarHBondContact O-N 3.02Å
443	Q	76.6	Confident	69.4	Low	51 Å²	51	60.4 Å²	60.4	24%	0.238	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	-6.1	-178.3	-62.8	-68.5	-31.7	0	0	117.4	D71 M258 N260 L445	D71-Q443 PolarHBondContact OD2-NE2 3.24Å; M258-Q443 VanDerWaalsContact CG-NE2 3.29Å; M258-Q443 PolarHBondContact SD-NE2 3.42Å; M258-Q443 VanDerWaalsContact SD-NE2 3.36Å; N260-Q443 VanDerWaalsContact CB-OE1 3.29Å; N260-Q443 PolarHBondContact ND2-O 3.1Å; Q443-L445 PolarHBondContact O-N 3.08Å; Q443-L445 VanDerWaalsContact O-N 3.15Å
444	T	71.3	Confident	67.1	Low	30 Å²	30	63 Å²	63	18%	0.184	34%	0.338	C	S	.	.			trans	-43.5	118.8	177.1	-59.9	0	0	0	0	112.4	N260 I440 P441 P442	N260-T444 PolarHBondContact ND2-O 3.36Å; I440-T444 HydrophobicContact CG2-CG2 4.3Å; P441-T444 WeakPolarHBondContact O-CB 3.41Å; P441-T444 PolarHBondContact O-OG1 2.67Å; P442-T444 PolarHBondContact O-N 3.02Å
445	L	64.2	Low	64.8	Low	67 Å²	67	68.9 Å²	68.9	35%	0.351	37%	0.368	S	S	.	.			trans	-78.1	131.7	-174.5	-61.6	-170.5	0	0	0	111.9	N260 Q443 N447 F448	N260-L445 VanDerWaalsContact CA-CD2 3.41Å; N260-L445 HydrophobicContact CB-CD2 3.53Å; Q443-L445 PolarHBondContact O-N 3.08Å; Q443-L445 VanDerWaalsContact O-N 3.15Å; L445-N447 PolarHBondContact O-N 3.35Å; L445-F448 HydrophobicContact CB-CB 4.3Å; L445-F448 HydrophobicContact CB-CD2 3.87Å; L445-F448 HydrophobicContact CB-CG 4.42Å; L445-F448 HydrophobicContact CD1-CD2 3.77Å; L445-F448 HydrophobicContact CD1-CE2 3.82Å; L445-F448 HydrophobicContact CG-CD2 4.2Å; L445-F448 PolarHBondContact O-N 3.04Å
446	T	56	Low	62.6	Low	67 Å²	67	71.5 Å²	71.5	41%	0.411	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.8	179.6	52.6	0	0	0	0	114.2
447	N	51.2	Low	60.6	Low	146 Å²	146	69.4 Å²	69.4	78%	0.781	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.6	13	-173.1	-60.9	28.9	0	0	0	112.7	L445	L445-N447 PolarHBondContact O-N 3.35Å
448	F	46.1	Very low	58.7	Low	117 Å²	117	72 Å²	72	51%	0.513	38%	0.38	S	S	.	.			trans	-75.5	131.5	-176.8	-125.2	-115.6	0	0	0	111.9	L445 G450 W453	L445-F448 HydrophobicContact CB-CB 4.3Å; L445-F448 HydrophobicContact CB-CD2 3.87Å; L445-F448 HydrophobicContact CB-CG 4.42Å; L445-F448 HydrophobicContact CD1-CD2 3.77Å; L445-F448 HydrophobicContact CD1-CE2 3.82Å; L445-F448 HydrophobicContact CG-CD2 4.2Å; L445-F448 PolarHBondContact O-N 3.04Å; F448-G450 PolarHBondContact O-N 2.81Å; F448-W453 PolarHBondContact O-NE1 2.77Å
449	P	43.1	Very low	56.8	Low	106 Å²	106	77 Å²	77	69%	0.688	41%	0.411	S	S	*	.			trans	-76.8	111.7	-169.1	29.1	-35	0	0	0	113	S451	P449-S451 PolarHBondContact O-N 3.21Å; P449-S451 PolarHBondContact O-OG 2.67Å
450	G	46.2	Very low	54.5	Low	49 Å²	49	80.9 Å²	80.9	51%	0.505	43%	0.433	S	S	.	.	S	Bend	trans	67	-21.1	148.8	0	0	0	0	0	120.5	F448 N454	F448-G450 PolarHBondContact O-N 2.81Å; G450-N454 PolarHBondContact O-ND2 3.31Å
451	S	42	Very low	52.7	Low	69 Å²	69	82.2 Å²	82.2	48%	0.483	45%	0.452	S	S	.	.	S	Bend	trans	-92.3	-49.7	-167.6	55.8	0	0	0	0	114.4	P449	P449-S451 PolarHBondContact O-N 3.21Å; P449-S451 PolarHBondContact O-OG 2.67Å
452	W	42.3	Very low	51	Low	147 Å²	147	88.8 Å²	88.8	56%	0.557	49%	0.485	S	S	*	.	G	3₁₀ helix	trans	-73.3	-29.6	-178.3	-100	36.6	0	0	0	114.1	P441 N454 L455	P441-W452 HydrophobicContact CB-CH2 4.33Å; P441-W452 HydrophobicContact CB-CZ3 3.89Å; P441-W452 HydrophobicContact CG-CE3 4.37Å; P441-W452 HydrophobicContact CG-CH2 4.08Å; P441-W452 HydrophobicContact CG-CZ3 3.58Å; W452-N454 PolarHBondContact O-N 2.96Å; W452-L455 HydrophobicContact CG-CD1 4.46Å; W452-L455 PolarHBondContact O-N 3.4Å
453	W	43.6	Very low	50.1	Low	66 Å²	66	95.9 Å²	95.9	25%	0.25	51%	0.506	C	S	.	.	G	3₁₀ helix	trans	-62.7	-5.4	177.8	-52.9	103.1	0	0	0	114.8	F306 F448 R457	F306-W453 HydrophobicContact CE1-CH2 4.12Å; F306-W453 HydrophobicContact CE1-CZ3 4.1Å; F448-W453 PolarHBondContact O-NE1 2.77Å; W453-R457 WeakPolarHBondContact O-CD 3.29Å; W453-R457 WeakPolarHBondContact O-CG 3.36Å; W453-R457 PolarHBondContact O-NE 3.02Å
454	N	42.2	Very low	50.4	Low	106 Å²	106	95.9 Å²	95.9	57%	0.567	51%	0.506	S	S	*	.	G	3₁₀ helix	trans	-120.3	-2.2	-178.2	-65.3	-47.6	0	0	0	113.5	G450 W452	G450-N454 PolarHBondContact O-ND2 3.31Å; W452-N454 PolarHBondContact O-N 2.96Å
455	L	41	Very low	51.3	Low	126 Å²	126	95 Å²	95	66%	0.66	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-32.8	-172	-92.3	166.3	0	0	0	114.7	W452	W452-L455 HydrophobicContact CG-CD1 4.46Å; W452-L455 PolarHBondContact O-N 3.4Å
456	E	41.9	Very low	52.7	Low	66 Å²	66	92.7 Å²	92.7	31%	0.308	49%	0.488	S	S	.	.	S	Bend	trans	-117.9	17.7	173.9	-55.5	-154.4	130.8	0	0	112.4	W439 L458 R478	W439-E456 VanDerWaalsContact CB-OE2 3.3Å; W439-E456 WeakPolarHBondContact CB-OE2 3.33Å; W439-E456 HydrophobicContact CE3-CB 3.91Å; W439-E456 VanDerWaalsContact CE3-O 3.24Å; W439-E456 VanDerWaalsContact CZ3-O 3.25Å; W439-E456 WeakPolarHBondContact CZ3-O 3.4Å; E456-L458 PolarHBondContact O-N 2.93Å; E456-R478 VanDerWaalsContact CD-NH1 3.27Å; E456-R478 IonicContact OE1-CZ 3.61Å; E456-R478 IonicContact OE1-NH1 3.22Å; E456-R478 PolarHBondContact OE1-NH1 2.88Å; E456-R478 IonicContact OE1-NH2 3.28Å; E456-R478 PolarHBondContact OE1-NH2 3.25Å; E456-R478 IonicContact OE2-CZ 3.57Å; E456-R478 IonicContact OE2-NH1 3.46Å; E456-R478 PolarHBondContact OE2-NH1 2.74Å; E456-R478 IonicContact OE2-NH2 2.77Å; E456-R478 PolarHBondContact OE2-NH2 3.04Å
457	R	44.3	Very low	54.6	Low	99 Å²	99	91.1 Å²	91.1	37%	0.374	48%	0.475	S	S	.	.			trans	-75.4	105.6	163.6	-78.5	-168.3	170.9	167.3	1.1	109.1	D438 W453 T459	D438-R457 VanDerWaalsContact OD1-CG 3.28Å; D438-R457 WeakPolarHBondContact OD1-CG 3.47Å; D438-R457 IonicContact OD1-CZ 3.39Å; D438-R457 IonicContact OD1-NE 2.7Å; D438-R457 PolarHBondContact OD1-NE 2.88Å; D438-R457 IonicContact OD1-NH2 3.2Å; D438-R457 PolarHBondContact OD1-NH2 3Å; D438-R457 IonicContact OD2-CZ 3.9Å; D438-R457 IonicContact OD2-NE 3.9Å; D438-R457 IonicContact OD2-NH2 2.97Å; D438-R457 PolarHBondContact OD2-NH2 2.86Å; W453-R457 WeakPolarHBondContact O-CD 3.29Å; W453-R457 WeakPolarHBondContact O-CG 3.36Å; W453-R457 PolarHBondContact O-NE 3.02Å; R457-T459 HydrophobicContact CB-CG2 3.91Å; R457-T459 PolarHBondContact O-N 3.08Å
458	L	43.6	Very low	56.9	Low	85 Å²	85	84.2 Å²	84.2	45%	0.445	44%	0.438	S	S	.	.			trans	-61.1	87.6	147.5	-76.5	169.5	0	0	0	107.7	W439 E456 D460	W439-L458 HydrophobicContact CH2-CD1 4.19Å; E456-L458 PolarHBondContact O-N 2.93Å; L458-D460 HydrophobicContact CB-CB 4.16Å; L458-D460 HydrophobicContact CD2-CB 4.36Å; L458-D460 PolarHBondContact O-N 3.45Å
459	T	44.3	Very low	59.4	Low	117 Å²	117	78.6 Å²	78.6	72%	0.718	41%	0.413	S	S	*	.			trans	-73.3	40.2	163.8	58	0	0	0	0	110.2	R457 G461	R457-T459 HydrophobicContact CB-CG2 3.91Å; R457-T459 PolarHBondContact O-N 3.08Å; T459-G461 VanDerWaalsContact C-N 3.3Å; T459-G461 PolarHBondContact O-N 3.29Å
460	D	44.7	Very low	62	Low	98 Å²	98	74.5 Å²	74.5	52%	0.524	39%	0.385	S	S	.	.			trans	-84	79	-167.5	-165.9	35.5	0	0	0	109.3	L458	L458-D460 HydrophobicContact CB-CB 4.16Å; L458-D460 HydrophobicContact CD2-CB 4.36Å; L458-D460 PolarHBondContact O-N 3.45Å
461	G	49.4	Very low	64.5	Low	49 Å²	49	72.4 Å²	72.4	51%	0.505	36%	0.363	S	S	.	.			trans	81.6	116.8	-173.6	0	0	0	0	0	113.7	T459 R463 K464	T459-G461 VanDerWaalsContact C-N 3.3Å; T459-G461 PolarHBondContact O-N 3.29Å; G461-R463 PolarHBondContact O-N 3.31Å; G461-K464 PolarHBondContact O-N 3.21Å
462	L	54.1	Low	67	Low	166 Å²	166	73.8 Å²	73.8	87%	0.869	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	22.6	157.3	-87.2	161.5	0	0	0	113.1	Y404	Y404-L462 VanDerWaalsContact CD2-O 3.25Å; Y404-L462 WeakPolarHBondContact CD2-O 3.22Å; Y404-L462 WeakPolarHBondContact CE2-O 3.28Å
463	R	63.2	Low	69.6	Low	186 Å²	186	70.9 Å²	70.9	70%	0.702	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.1	-7.2	-167	-66.7	-172.7	176.7	175.2	-1.7	114.6	Y404 G461	Y404-R463 WeakPolarHBondContact CB-O 3.18Å; Y404-R463 HydrophobicContact CD1-CG 3.97Å; Y404-R463 HydrophobicContact CD2-CB 4.39Å; Y404-R463 HydrophobicContact CD2-CG 4.24Å; Y404-R463 HydrophobicContact CE1-CG 4.21Å; Y404-R463 HydrophobicContact CE2-CG 4.45Å; Y404-R463 HydrophobicContact CG-CB 4.1Å; Y404-R463 HydrophobicContact CG-CG 3.96Å; G461-R463 PolarHBondContact O-N 3.31Å
464	K	83.8	Confident	72.2	Confident	52 Å²	52	68.6 Å²	68.6	23%	0.226	37%	0.368	C	S	.	.			trans	-74.4	135.6	-176	-163	147	-177	169.1	0	110.7	G461 M466 W467 D480 S482 D483	G461-K464 PolarHBondContact O-N 3.21Å; K464-M466 WeakPolarHBondContact CE-O 3.35Å; K464-M466 WeakPolarHBondContact CG-O 3.49Å; K464-W467 HydrophobicContact CB-CZ2 3.84Å; K464-W467 HydrophobicContact CG-CZ2 3.9Å; K464-W467 VanDerWaalsContact O-CH2 3.23Å; K464-W467 WeakPolarHBondContact O-CH2 3.38Å; K464-D480 WeakPolarHBondContact CE-OD2 3.25Å; K464-D480 IonicContact NZ-OD2 2.95Å; K464-D480 PolarHBondContact NZ-OD2 3.38Å; K464-S482 PolarHBondContact NZ-OG 2.89Å; K464-D483 IonicContact NZ-OD2 3.46Å; K464-D483 PolarHBondContact NZ-OD2 2.58Å
465	S	90.1	Very high	74.8	Confident	10 Å²	10	65 Å²	65	7%	0.07	35%	0.35	C	S	.	.			trans	-132.2	6.7	-172.4	53.8	0	0	0	0	112.8	Y404 T416 T431 G432	Y404-S465 PolarHBondContact O-OG 3.08Å; Y404-S465 VanDerWaalsContact O-OG 3.13Å; T416-S465 PolarHBondContact OG1-OG 3.15Å; T431-S465 CarbonylContact C-O 3.45Å; T431-S465 VanDerWaalsContact CA-O 3.29Å; T431-S465 WeakPolarHBondContact CA-O 3.32Å; G432-S465 PolarHBondContact N-O 3.38Å
466	M	93.5	Very high	77.4	Confident	19 Å²	19	63.6 Å²	63.6	9%	0.094	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	141.8	-178.7	-169.7	-163	-59.7	0	0	110.1	D409 T416 L429 L430 T431 K464 V489 L493	D409-M466 WeakPolarHBondContact O-CE 3.19Å; T416-M466 HydrophobicContact CG2-CE 3.52Å; L429-M466 HydrophobicContact CD1-CG 3.89Å; L429-M466 HydrophobicContact CD1-SD 4.18Å; L430-M466 VanDerWaalsContact O-CA 3.31Å; L430-M466 WeakPolarHBondContact O-CA 3.17Å; T431-M466 HydrophobicContact CG2-CG 4.3Å; K464-M466 WeakPolarHBondContact CE-O 3.35Å; K464-M466 WeakPolarHBondContact CG-O 3.49Å; M466-V489 HydrophobicContact CE-CG1 3.97Å; M466-V489 HydrophobicContact SD-CB 4.4Å; M466-V489 HydrophobicContact SD-CG1 3.28Å; M466-V489 WeakPolarHBondContact SD-CG1 3.48Å; M466-V489 HydrophobicContact SD-CG2 4.19Å; M466-L493 HydrophobicContact CE-CD1 4.05Å; M466-L493 HydrophobicContact CE-CD2 4.41Å
467	W	96.6	Very high	80.1	Confident	35 Å²	35	60.4 Å²	60.4	13%	0.133	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	148.6	172.3	-57.1	-96.6	0	0	0	110.5	W322 L429 L430 P434 K464 F469 D480	W322-W467 AromaticContact CH2-CD2 3.98Å; W322-W467 HydrophobicContact CH2-CD2 3.98Å; W322-W467 HydrophobicContact CH2-CE3 4.43Å; W322-W467 HydrophobicContact CH2-CG 4.11Å; L429-W467 WeakPolarHBondContact CA-O 3.48Å; L430-W467 HydrophobicContact CB-CE3 4.35Å; L430-W467 HydrophobicContact CD1-CB 4.49Å; L430-W467 PolarHBondContact N-O 3.39Å; L430-W467 PolarHBondContact O-N 3.32Å; P434-W467 VanDerWaalsContact CD-CZ3 3.41Å; P434-W467 HydrophobicContact CG-CE3 3.73Å; P434-W467 HydrophobicContact CG-CH2 4.16Å; P434-W467 HydrophobicContact CG-CZ3 3.44Å; P434-W467 VanDerWaalsContact CG-CZ3 3.44Å; K464-W467 HydrophobicContact CB-CZ2 3.84Å; K464-W467 HydrophobicContact CG-CZ2 3.9Å; K464-W467 VanDerWaalsContact O-CH2 3.23Å; K464-W467 WeakPolarHBondContact O-CH2 3.38Å; W467-F469 HydrophobicContact CB-CD2 4.41Å; W467-F469 HydrophobicContact CB-CE2 3.5Å; W467-F469 VanDerWaalsContact CB-CE2 3.5Å; W467-F469 HydrophobicContact CB-CZ 3.93Å; W467-F469 HydrophobicContact CG-CE2 4.29Å; W467-F469 HydrophobicContact CG-CZ 4.38Å; W467-D480 WeakPolarHBondContact CA-OD1 3.24Å; W467-D480 VanDerWaalsContact CD1-OD2 3.31Å
468	L	98.4	Very high	82.5	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	126.4	176.6	175.2	68	0	0	0	110.6	W427 K428 L429 D480 L481 R485 V488 V489 L492	W427-L468 HydrophobicContact CB-CD1 4.32Å; W427-L468 HydrophobicContact CE3-CD1 3.92Å; W427-L468 HydrophobicContact CE3-CD2 4.08Å; W427-L468 HydrophobicContact CE3-CG 3.94Å; W427-L468 HydrophobicContact CZ3-CD2 4.24Å; W427-L468 HydrophobicContact CZ3-CG 4.33Å; K428-L468 CarbonylContact O-C 3.58Å; K428-L468 WeakPolarHBondContact O-CA 3.28Å; L429-L468 HydrophobicContact CB-CD1 4.45Å; L429-L468 HydrophobicContact CD1-CB 4.43Å; L468-D480 PolarHBondContact N-OD1 2.84Å; L468-L481 PolarHBondContact O-N 3.33Å; L468-R485 HydrophobicContact CD2-CB 3.81Å; L468-V488 HydrophobicContact CD1-CG1 3.91Å; L468-V488 HydrophobicContact CD2-CB 3.81Å; L468-V488 HydrophobicContact CD2-CG1 3.86Å; L468-V489 HydrophobicContact CB-CG2 4.21Å; L468-V489 HydrophobicContact CD2-CG2 3.79Å; L468-L492 HydrophobicContact CD1-CD1 3.63Å
469	F	98.6	Very high	84.9	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	148	177.1	-57.4	-83.4	0	0	0	111.5	W322 W427 K428 L430 W467 I471 E477 Y479 D480	W322-F469 AromaticContact CZ3-CE2 3.73Å; W322-F469 HydrophobicContact CZ3-CE2 3.73Å; W322-F469 AromaticContact CZ3-CZ 4Å; W322-F469 HydrophobicContact CZ3-CZ 4Å; W427-F469 CarbonylContact C-O 3.52Å; W427-F469 WeakPolarHBondContact CA-O 3.27Å; K428-F469 PolarHBondContact N-O 3.16Å; K428-F469 PolarHBondContact O-N 3.19Å; L430-F469 HydrophobicContact CD1-CD2 3.82Å; L430-F469 HydrophobicContact CD1-CE2 3.85Å; W467-F469 HydrophobicContact CB-CD2 4.41Å; W467-F469 HydrophobicContact CB-CE2 3.5Å; W467-F469 VanDerWaalsContact CB-CE2 3.5Å; W467-F469 HydrophobicContact CB-CZ 3.93Å; W467-F469 HydrophobicContact CG-CE2 4.29Å; W467-F469 HydrophobicContact CG-CZ 4.38Å; F469-I471 HydrophobicContact CB-CD1 3.76Å; F469-I471 HydrophobicContact CB-CG1 4.38Å; F469-E477 HydrophobicContact CB-CG 4.43Å; F469-E477 VanDerWaalsContact CD1-CA 3.49Å; F469-E477 HydrophobicContact CD1-CB 3.94Å; F469-E477 HydrophobicContact CD1-CG 4.36Å; F469-E477 HydrophobicContact CD2-CB 4.1Å; F469-E477 HydrophobicContact CD2-CG 3.93Å; F469-E477 HydrophobicContact CE1-CB 3.91Å; F469-E477 VanDerWaalsContact CE1-O 3.27Å; F469-E477 WeakPolarHBondContact CE1-O 3.31Å; F469-E477 HydrophobicContact CE2-CB 4.08Å; F469-E477 HydrophobicContact CE2-CG 4.31Å; F469-E477 HydrophobicContact CG-CB 4.04Å; F469-E477 HydrophobicContact CG-CG 3.96Å; F469-E477 HydrophobicContact CZ-CB 3.99Å; F469-Y479 VanDerWaalsContact CD1-O 3.28Å; F469-Y479 WeakPolarHBondContact CD1-O 3.48Å; F469-D480 HydrophobicContact CE1-CB 3.97Å; F469-D480 HydrophobicContact CZ-CB 4.13Å
470	N	98.4	Very high	87.4	Confident	20 Å²	20	59 Å²	59	11%	0.107	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	97.4	160.9	-176.7	-42.4	0	0	0	108	E426 W427 T472 A473 D474 L481	E426-N470 CarbonylContact O-C 3.6Å; E426-N470 WeakPolarHBondContact O-CA 3.28Å; E426-N470 PolarHBondContact OE2-ND2 2.93Å; W427-N470 HydrophobicContact CE3-CB 4.13Å; W427-N470 HydrophobicContact CH2-CB 4.09Å; W427-N470 HydrophobicContact CZ3-CB 3.9Å; N470-T472 PolarHBondContact O-N 3.09Å; N470-T472 WeakPolarHBondContact OD1-CB 3.14Å; N470-T472 PolarHBondContact OD1-N 2.74Å; N470-T472 VanDerWaalsContact OD1-N 3.11Å; N470-A473 HydrophobicContact CB-CB 4.4Å; N470-A473 PolarHBondContact O-N 3.11Å; N470-A473 PolarHBondContact OD1-N 2.9Å; N470-D474 CarbonylContact O-C 3.6Å; N470-D474 WeakPolarHBondContact O-CA 3.45Å; N470-D474 PolarHBondContact O-N 3.32Å; N470-L481 HydrophobicContact CB-CD1 4.36Å
471	I	97.7	Very high	89.9	Confident	5 Å²	5	56.8 Å²	56.8	3%	0.026	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-14	-175.2	-61.3	-60.6	0	0	0	112.8	E323 E426 K428 F469 P475 E477	E323-I471 HydrophobicContact CG-CD1 4.05Å; E323-I471 WeakPolarHBondContact OE2-CG2 3.31Å; E426-I471 PolarHBondContact O-N 2.78Å; K428-I471 HydrophobicContact CB-CD1 4.12Å; K428-I471 HydrophobicContact CB-CG1 3.45Å; K428-I471 VanDerWaalsContact CB-CG1 3.45Å; K428-I471 HydrophobicContact CD-CD1 3.93Å; K428-I471 HydrophobicContact CD-CG1 3.89Å; K428-I471 HydrophobicContact CG-CG1 4.33Å; F469-I471 HydrophobicContact CB-CD1 3.76Å; F469-I471 HydrophobicContact CB-CG1 4.38Å; I471-P475 VanDerWaalsContact O-CA 3.32Å; I471-P475 WeakPolarHBondContact O-CA 3.45Å; I471-P475 WeakPolarHBondContact O-CB 3.5Å; I471-E477 HydrophobicContact CD1-CG 3.61Å
472	T	95.1	Very high	92.1	Very high	98 Å²	98	54.8 Å²	54.8	60%	0.601	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-39.7	173.3	-53.6	0	0	0	0	111.5	E426 N470	E426-T472 WeakPolarHBondContact CA-OG1 3.15Å; E426-T472 WeakPolarHBondContact CB-OG1 3.49Å; N470-T472 PolarHBondContact O-N 3.09Å; N470-T472 WeakPolarHBondContact OD1-CB 3.14Å; N470-T472 PolarHBondContact OD1-N 2.74Å; N470-T472 VanDerWaalsContact OD1-N 3.11Å
473	A	97.3	Very high	94.1	Very high	86 Å²	86	52.5 Å²	52.5	71%	0.711	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-36.3	178.8	0	0	0	0	0	113.1	N470 P475	N470-A473 HydrophobicContact CB-CB 4.4Å; N470-A473 PolarHBondContact O-N 3.11Å; N470-A473 PolarHBondContact OD1-N 2.9Å; A473-P475 WeakPolarHBondContact O-CD 3.17Å
474	D	97.8	Very high	95.7	Very high	18 Å²	18	49.3 Å²	49.3	10%	0.096	25%	0.249	C	C	.	.			trans	-124.5	77.3	177.1	177	16.9	0	0	0	110	N470 Y476 E477 R478 Y479	N470-D474 CarbonylContact O-C 3.6Å; N470-D474 WeakPolarHBondContact O-CA 3.45Å; N470-D474 PolarHBondContact O-N 3.32Å; D474-Y476 PolarHBondContact O-N 2.86Å; D474-Y476 PolarHBondContact OD1-N 2.8Å; D474-E477 PolarHBondContact O-N 2.98Å; D474-E477 PolarHBondContact OD1-N 2.95Å; D474-E477 VanDerWaalsContact OD1-N 3.09Å; D474-R478 PolarHBondContact OD1-N 3.33Å; D474-R478 WeakPolarHBondContact OD2-CA 3.46Å; D474-R478 PolarHBondContact OD2-N 3.46Å; D474-Y479 PolarHBondContact OD2-N 3.07Å
475	P	96.8	Very high	96.4	Very high	29 Å²	29	51 Å²	51	19%	0.188	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	1.5	177	29.2	-36.4	0	0	0	113.8	I471 A473	I471-P475 VanDerWaalsContact O-CA 3.32Å; I471-P475 WeakPolarHBondContact O-CA 3.45Å; I471-P475 WeakPolarHBondContact O-CB 3.5Å; A473-P475 WeakPolarHBondContact O-CD 3.17Å
476	Y	96.8	Very high	96.7	Very high	97 Å²	97	53 Å²	53	38%	0.38	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.2	2.3	-173.7	-50.7	-33.7	0	0	0	113.2	P313 L314 W439 D474 R478	P313-Y476 HydrophobicContact CB-CD1 4.42Å; P313-Y476 HydrophobicContact CB-CE1 4.37Å; P313-Y476 HydrophobicContact CG-CD1 3.97Å; P313-Y476 HydrophobicContact CG-CE1 3.48Å; P313-Y476 VanDerWaalsContact CG-CE1 3.48Å; P313-Y476 HydrophobicContact CG-CE2 4.06Å; P313-Y476 HydrophobicContact CG-CG 4.49Å; L314-Y476 HydrophobicContact CD2-CD1 3.92Å; L314-Y476 HydrophobicContact CD2-CE1 4.16Å; W439-Y476 VanDerWaalsContact CE2-O 3.28Å; W439-Y476 WeakPolarHBondContact CZ2-O 3.22Å; W439-Y476 PolarHBondContact NE1-O 3.47Å; D474-Y476 PolarHBondContact O-N 2.86Å; D474-Y476 PolarHBondContact OD1-N 2.8Å; Y476-R478 VanDerWaalsContact C-N 3.32Å; Y476-R478 PolarHBondContact O-N 3.45Å
477	E	97.3	Very high	96.9	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.285	C	S	.	.			trans	57.7	40.3	176	-60.7	168.3	130.8	0	0	113.5	R315 W322 E323 K428 W439 F469 I471 D474	R315-E477 HydrophobicContact CB-CB 4.29Å; R315-E477 PolarHBondContact NH1-O 3.39Å; W322-E477 VanDerWaalsContact CA-OE2 3.29Å; W322-E477 WeakPolarHBondContact CA-OE2 3.33Å; W322-E477 WeakPolarHBondContact CB-OE2 3.27Å; W322-E477 HydrophobicContact CE3-CB 4.34Å; E323-E477 HydrophobicContact CG-CG 4.01Å; E323-E477 PolarHBondContact N-OE2 3.11Å; K428-E477 WeakPolarHBondContact CE-OE1 3.34Å; K428-E477 IonicContact NZ-OE1 3.64Å; K428-E477 PolarHBondContact NZ-OE1 2.78Å; W439-E477 WeakPolarHBondContact CH2-O 3.34Å; W439-E477 VanDerWaalsContact CZ2-O 3.24Å; W439-E477 WeakPolarHBondContact CZ2-O 3.17Å; F469-E477 HydrophobicContact CB-CG 4.43Å; F469-E477 VanDerWaalsContact CD1-CA 3.49Å; F469-E477 HydrophobicContact CD1-CB 3.94Å; F469-E477 HydrophobicContact CD1-CG 4.36Å; F469-E477 HydrophobicContact CD2-CB 4.1Å; F469-E477 HydrophobicContact CD2-CG 3.93Å; F469-E477 HydrophobicContact CE1-CB 3.91Å; F469-E477 VanDerWaalsContact CE1-O 3.27Å; F469-E477 WeakPolarHBondContact CE1-O 3.31Å; F469-E477 HydrophobicContact CE2-CB 4.08Å; F469-E477 HydrophobicContact CE2-CG 4.31Å; F469-E477 HydrophobicContact CG-CB 4.04Å; F469-E477 HydrophobicContact CG-CG 3.96Å; F469-E477 HydrophobicContact CZ-CB 3.99Å; I471-E477 HydrophobicContact CD1-CG 3.61Å; D474-E477 PolarHBondContact O-N 2.98Å; D474-E477 PolarHBondContact OD1-N 2.95Å; D474-E477 VanDerWaalsContact OD1-N 3.09Å
478	R	94.6	Very high	97	Very high	71 Å²	71	55.4 Å²	55.4	27%	0.268	28%	0.283	S	S	.	.			trans	-83.6	-36.9	-177.1	-68.6	-80.2	168.1	161.4	-10.5	113.3	W439 E456 D474 Y476	W439-R478 HydrophobicContact CZ2-CB 4.41Å; W439-R478 VanDerWaalsContact CZ2-CD 3.43Å; W439-R478 HydrophobicContact CZ2-CG 3.87Å; E456-R478 VanDerWaalsContact CD-NH1 3.27Å; E456-R478 IonicContact OE1-CZ 3.61Å; E456-R478 IonicContact OE1-NH1 3.22Å; E456-R478 PolarHBondContact OE1-NH1 2.88Å; E456-R478 IonicContact OE1-NH2 3.28Å; E456-R478 PolarHBondContact OE1-NH2 3.25Å; E456-R478 IonicContact OE2-CZ 3.57Å; E456-R478 IonicContact OE2-NH1 3.46Å; E456-R478 PolarHBondContact OE2-NH1 2.74Å; E456-R478 IonicContact OE2-NH2 2.77Å; E456-R478 PolarHBondContact OE2-NH2 3.04Å; D474-R478 PolarHBondContact OD1-N 3.33Å; D474-R478 WeakPolarHBondContact OD2-CA 3.46Å; D474-R478 PolarHBondContact OD2-N 3.46Å; Y476-R478 VanDerWaalsContact C-N 3.32Å; Y476-R478 PolarHBondContact O-N 3.45Å
479	Y	95.3	Very high	97	Very high	172 Å²	172	55.4 Å²	55.4	68%	0.675	28%	0.283	S	S	*	.	S	Bend	trans	-121.6	100.9	-173	-60.4	-77.4	0	0	0	110.3	F469 D474	F469-Y479 VanDerWaalsContact CD1-O 3.28Å; F469-Y479 WeakPolarHBondContact CD1-O 3.48Å; D474-Y479 PolarHBondContact OD2-N 3.07Å
480	D	95.7	Very high	97	Very high	28 Å²	28	61.4 Å²	61.4	15%	0.15	31%	0.306	C	S	.	.			trans	-71.5	137.2	173.5	-176.2	15.2	0	0	0	110.6	K464 W467 L468 F469 S482	K464-D480 WeakPolarHBondContact CE-OD2 3.25Å; K464-D480 IonicContact NZ-OD2 2.95Å; K464-D480 PolarHBondContact NZ-OD2 3.38Å; W467-D480 WeakPolarHBondContact CA-OD1 3.24Å; W467-D480 VanDerWaalsContact CD1-OD2 3.31Å; L468-D480 PolarHBondContact N-OD1 2.84Å; F469-D480 HydrophobicContact CE1-CB 3.97Å; F469-D480 HydrophobicContact CZ-CB 4.13Å; D480-S482 WeakPolarHBondContact OD1-CB 3.3Å; D480-S482 PolarHBondContact OD1-N 3.06Å; D480-S482 PolarHBondContact OD2-OG 2.83Å
481	L	97.7	Very high	97	Very high	51 Å²	51	63.1 Å²	63.1	27%	0.267	32%	0.323	S	S	.	.			trans	-119.4	10.4	-175.1	-62.5	174	0	0	0	112.2	W427 L468 N470 D483 Q484 R485	W427-L481 HydrophobicContact CH2-CD1 4.07Å; W427-L481 HydrophobicContact CZ3-CB 4.41Å; W427-L481 HydrophobicContact CZ3-CD1 3.7Å; L468-L481 PolarHBondContact O-N 3.33Å; N470-L481 HydrophobicContact CB-CD1 4.36Å; L481-D483 VanDerWaalsContact C-N 3.29Å; L481-D483 PolarHBondContact O-N 2.84Å; L481-Q484 PolarHBondContact O-N 2.71Å; L481-Q484 PolarHBondContact O-OE1 2.87Å; L481-R485 WeakPolarHBondContact O-CB 3.39Å; L481-R485 PolarHBondContact O-N 3.1Å
482	S	95.9	Very high	97.1	Very high	7 Å²	7	63.2 Å²	63.2	5%	0.049	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-44.4	-175.9	64.7	0	0	0	0	113	K464 D480	K464-S482 PolarHBondContact NZ-OG 2.89Å; D480-S482 WeakPolarHBondContact OD1-CB 3.3Å; D480-S482 PolarHBondContact OD1-N 3.06Å; D480-S482 PolarHBondContact OD2-OG 2.83Å
483	D	94.7	Very high	97.2	Very high	118 Å²	118	58.5 Å²	58.5	63%	0.631	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-25.5	-170.8	-51.3	-33.2	0	0	0	110.9	K464 L481	K464-D483 IonicContact NZ-OD2 3.46Å; K464-D483 PolarHBondContact NZ-OD2 2.58Å; L481-D483 VanDerWaalsContact C-N 3.29Å; L481-D483 PolarHBondContact O-N 2.84Å
484	Q	97.7	Very high	97.3	Very high	119 Å²	119	59.6 Å²	59.6	56%	0.556	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-25	179.1	-57.8	81.1	-4.3	0	0	112.6	L481	L481-Q484 PolarHBondContact O-N 2.71Å; L481-Q484 PolarHBondContact O-OE1 2.87Å
485	R	97.8	Very high	97.3	Very high	89 Å²	89	62 Å²	62	34%	0.336	29%	0.294	S	S	.	.			trans	-127	56.8	-178	-63.8	-58.3	-56.4	-87.7	5.4	113.6	W427 L468 L481 D487 V488 V489	W427-R485 HydrophobicContact CH2-CG 4.35Å; L468-R485 HydrophobicContact CD2-CB 3.81Å; L481-R485 WeakPolarHBondContact O-CB 3.39Å; L481-R485 PolarHBondContact O-N 3.1Å; R485-D487 VanDerWaalsContact C-OD1 3.24Å; R485-D487 VanDerWaalsContact CA-OD1 3.27Å; R485-D487 WeakPolarHBondContact CA-OD1 3.04Å; R485-D487 IonicContact CZ-OD1 3.51Å; R485-D487 IonicContact CZ-OD2 3.42Å; R485-D487 IonicContact NE-OD1 2.77Å; R485-D487 PolarHBondContact NE-OD1 2.77Å; R485-D487 IonicContact NE-OD2 3.32Å; R485-D487 PolarHBondContact NE-OD2 3.43Å; R485-D487 IonicContact NH2-OD1 3.42Å; R485-D487 IonicContact NH2-OD2 2.7Å; R485-D487 PolarHBondContact NH2-OD2 2.77Å; R485-D487 PolarHBondContact O-N 2.8Å; R485-D487 VanDerWaalsContact O-N 3.14Å; R485-V488 HydrophobicContact CB-CB 4.19Å; R485-V488 HydrophobicContact CB-CG2 4.09Å; R485-V488 VanDerWaalsContact NH2-CG2 3.3Å; R485-V488 PolarHBondContact O-N 3.43Å; R485-V488 VanDerWaalsContact O-N 3.07Å; R485-V489 WeakPolarHBondContact O-CG2 3.48Å; R485-V489 PolarHBondContact O-N 2.68Å
486	P	97.3	Very high	97.4	Very high	51 Å²	51	60.6 Å²	60.6	33%	0.331	29%	0.285	S	S	.	.	H	α-helix	trans	-62.9	-19.1	177.1	28.4	-36.3	0	0	0	113.2	F411 R490	F411-P486 HydrophobicContact CZ-CB 4.07Å; P486-R490 WeakPolarHBondContact O-CB 3.3Å; P486-R490 VanDerWaalsContact O-CG 3.24Å; P486-R490 WeakPolarHBondContact O-CG 3.41Å; P486-R490 PolarHBondContact O-N 3.27Å; P486-R490 VanDerWaalsContact O-N 3.09Å
487	D	98.1	Very high	97.5	Very high	88 Å²	88	57.6 Å²	57.6	47%	0.471	28%	0.276	S	S	.	.	H	α-helix	trans	-63.9	-48.9	170.7	64.1	-49.7	0	0	0	111.8	R485 A491	R485-D487 VanDerWaalsContact C-OD1 3.24Å; R485-D487 VanDerWaalsContact CA-OD1 3.27Å; R485-D487 WeakPolarHBondContact CA-OD1 3.04Å; R485-D487 IonicContact CZ-OD1 3.51Å; R485-D487 IonicContact CZ-OD2 3.42Å; R485-D487 IonicContact NE-OD1 2.77Å; R485-D487 PolarHBondContact NE-OD1 2.77Å; R485-D487 IonicContact NE-OD2 3.32Å; R485-D487 PolarHBondContact NE-OD2 3.43Å; R485-D487 IonicContact NH2-OD1 3.42Å; R485-D487 IonicContact NH2-OD2 2.7Å; R485-D487 PolarHBondContact NH2-OD2 2.77Å; R485-D487 PolarHBondContact O-N 2.8Å; R485-D487 VanDerWaalsContact O-N 3.14Å; D487-A491 PolarHBondContact O-N 2.99Å
488	V	98.5	Very high	97.5	Very high	16 Å²	16	63 Å²	63	10%	0.097	30%	0.297	C	S	.	.	H	α-helix	trans	-69.2	-43.1	177.3	-179	0	0	0	0	110.3	W427 L468 R485 R490 A491 L492	W427-V488 HydrophobicContact CB-CG1 4Å; W427-V488 HydrophobicContact CD2-CG1 3.74Å; W427-V488 HydrophobicContact CD2-CG2 4.43Å; W427-V488 HydrophobicContact CE3-CG1 4.03Å; W427-V488 HydrophobicContact CG-CG1 3.68Å; L468-V488 HydrophobicContact CD1-CG1 3.91Å; L468-V488 HydrophobicContact CD2-CB 3.81Å; L468-V488 HydrophobicContact CD2-CG1 3.86Å; R485-V488 HydrophobicContact CB-CB 4.19Å; R485-V488 HydrophobicContact CB-CG2 4.09Å; R485-V488 VanDerWaalsContact NH2-CG2 3.3Å; R485-V488 PolarHBondContact O-N 3.43Å; R485-V488 VanDerWaalsContact O-N 3.07Å; V488-R490 PolarHBondContact O-N 3.34Å; V488-A491 PolarHBondContact O-N 3.06Å; V488-L492 HydrophobicContact CG1-CD1 3.88Å; V488-L492 HydrophobicContact CG1-CG 4.24Å; V488-L492 WeakPolarHBondContact O-CG 2.99Å; V488-L492 PolarHBondContact O-N 3.37Å
489	V	98.6	Very high	97.7	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.006	29%	0.288	C	S	.	.	H	α-helix	trans	-52.3	-54.5	175.9	170.1	0	0	0	0	110.8	F411 L429 M466 L468 R485 A491 L492 L493	F411-V489 HydrophobicContact CD2-CG1 4.38Å; F411-V489 HydrophobicContact CE2-CB 4.48Å; F411-V489 HydrophobicContact CE2-CG1 3.77Å; L429-V489 HydrophobicContact CD1-CG1 4.34Å; L429-V489 HydrophobicContact CD1-CG2 4.39Å; M466-V489 HydrophobicContact CE-CG1 3.97Å; M466-V489 HydrophobicContact SD-CB 4.4Å; M466-V489 HydrophobicContact SD-CG1 3.28Å; M466-V489 WeakPolarHBondContact SD-CG1 3.48Å; M466-V489 HydrophobicContact SD-CG2 4.19Å; L468-V489 HydrophobicContact CB-CG2 4.21Å; L468-V489 HydrophobicContact CD2-CG2 3.79Å; R485-V489 WeakPolarHBondContact O-CG2 3.48Å; R485-V489 PolarHBondContact O-N 2.68Å; V489-A491 VanDerWaalsContact C-N 3.31Å; V489-A491 PolarHBondContact O-N 3.02Å; V489-L492 PolarHBondContact O-N 2.74Å; V489-L492 VanDerWaalsContact O-N 3.1Å; V489-L493 HydrophobicContact CG1-CD1 3.68Å; V489-L493 HydrophobicContact CG1-CG 4.09Å; V489-L493 WeakPolarHBondContact O-CG 3.49Å; V489-L493 PolarHBondContact O-N 2.99Å
490	R	98.4	Very high	97.8	Very high	125 Å²	125	55.9 Å²	55.9	47%	0.472	28%	0.276	S	S	.	.	H	α-helix	trans	-60	-39.8	-178.8	-72.5	170.9	-175.2	-174.1	3.1	112.4	F411 I413 P486 V488 L492 L493 M494	F411-R490 HydrophobicContact CB-CG 4.32Å; F411-R490 HydrophobicContact CD2-CG 3.58Å; F411-R490 HydrophobicContact CE2-CG 4.01Å; F411-R490 HydrophobicContact CG-CG 3.96Å; I413-R490 HydrophobicContact CD1-CB 4.02Å; I413-R490 HydrophobicContact CD1-CG 4.01Å; P486-R490 WeakPolarHBondContact O-CB 3.3Å; P486-R490 VanDerWaalsContact O-CG 3.24Å; P486-R490 WeakPolarHBondContact O-CG 3.41Å; P486-R490 PolarHBondContact O-N 3.27Å; P486-R490 VanDerWaalsContact O-N 3.09Å; V488-R490 PolarHBondContact O-N 3.34Å; R490-L492 PolarHBondContact O-N 2.71Å; R490-L493 PolarHBondContact O-N 3.23Å; R490-M494 WeakPolarHBondContact O-CG 3.36Å; R490-M494 PolarHBondContact O-N 3.4Å
491	A	98.5	Very high	97.9	Very high	56 Å²	56	61.7 Å²	61.7	46%	0.463	30%	0.302	S	S	.	.	H	α-helix	trans	-61	-43.4	175.3	0	0	0	0	0	112	D487 V488 V489 M494 R495	D487-A491 PolarHBondContact O-N 2.99Å; V488-A491 PolarHBondContact O-N 3.06Å; V489-A491 VanDerWaalsContact C-N 3.31Å; V489-A491 PolarHBondContact O-N 3.02Å; A491-M494 WeakPolarHBondContact O-CB 3.38Å; A491-M494 PolarHBondContact O-N 2.8Å; A491-R495 WeakPolarHBondContact O-CG 3.46Å; A491-R495 PolarHBondContact O-N 2.67Å; A491-R495 VanDerWaalsContact O-N 3.12Å
492	L	98.7	Very high	97.9	Very high	7 Å²	7	62.1 Å²	62.1	4%	0.037	31%	0.306	C	S	.	.	H	α-helix	trans	-74.6	-33.4	179.9	-63.1	-179.3	0	0	0	113.2	I422 V424 W427 L429 L468 V488 V489 R490 M494 R495 L496	I422-L492 HydrophobicContact CG2-CB 4.39Å; V424-L492 HydrophobicContact CB-CD2 3.68Å; V424-L492 HydrophobicContact CG2-CD2 3.36Å; W427-L492 HydrophobicContact CB-CD1 3.93Å; L429-L492 HydrophobicContact CB-CB 3.89Å; L429-L492 HydrophobicContact CB-CD1 3.71Å; L429-L492 HydrophobicContact CB-CG 4.45Å; L429-L492 HydrophobicContact CD2-CB 3.73Å; L429-L492 HydrophobicContact CG-CB 4.33Å; L468-L492 HydrophobicContact CD1-CD1 3.63Å; V488-L492 HydrophobicContact CG1-CD1 3.88Å; V488-L492 HydrophobicContact CG1-CG 4.24Å; V488-L492 WeakPolarHBondContact O-CG 2.99Å; V488-L492 PolarHBondContact O-N 3.37Å; V489-L492 PolarHBondContact O-N 2.74Å; V489-L492 VanDerWaalsContact O-N 3.1Å; R490-L492 PolarHBondContact O-N 2.71Å; L492-M494 VanDerWaalsContact C-N 3.33Å; L492-R495 WeakPolarHBondContact O-CB 3.44Å; L492-R495 PolarHBondContact O-N 3.48Å; L492-R495 VanDerWaalsContact O-N 3.16Å; L492-L496 PolarHBondContact O-N 3.37Å
493	L	98.6	Very high	97.9	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-63	-39.5	169.6	-63.8	172.1	0	0	0	110.9	F411 I413 W414 L429 T431 M466 V489 R490 R495 L496 V497	F411-L493 HydrophobicContact CD2-CD1 4.02Å; I413-L493 HydrophobicContact CB-CB 4.3Å; I413-L493 HydrophobicContact CG2-CB 3.84Å; W414-L493 HydrophobicContact CB-CB 4.07Å; W414-L493 HydrophobicContact CB-CD2 3.83Å; W414-L493 HydrophobicContact CB-CG 4.38Å; W414-L493 HydrophobicContact CG-CD2 3.97Å; L429-L493 HydrophobicContact CD2-CD2 3.62Å; L429-L493 HydrophobicContact CD2-CG 4.04Å; T431-L493 HydrophobicContact CG2-CD2 4.01Å; M466-L493 HydrophobicContact CE-CD1 4.05Å; M466-L493 HydrophobicContact CE-CD2 4.41Å; V489-L493 HydrophobicContact CG1-CD1 3.68Å; V489-L493 HydrophobicContact CG1-CG 4.09Å; V489-L493 WeakPolarHBondContact O-CG 3.49Å; V489-L493 PolarHBondContact O-N 2.99Å; R490-L493 PolarHBondContact O-N 3.23Å; L493-R495 VanDerWaalsContact C-N 3.3Å; L493-R495 PolarHBondContact O-N 2.89Å; L493-L496 HydrophobicContact CD2-CD1 4.43Å; L493-L496 WeakPolarHBondContact O-CB 3.28Å; L493-L496 PolarHBondContact O-N 3.5Å; L493-V497 WeakPolarHBondContact O-CG2 3.5Å; L493-V497 PolarHBondContact O-N 3.12Å
494	M	98.4	Very high	98	Very high	108 Å²	108	60.8 Å²	60.8	53%	0.532	30%	0.302	S	S	.	.	H	α-helix	trans	-64.3	-31.6	172.7	-71.9	-67	-69.2	0	0	112.8	I413 R490 A491 L492 Y498	I413-M494 HydrophobicContact CD1-CG 4.25Å; I413-M494 HydrophobicContact CD1-SD 4.38Å; I413-M494 HydrophobicContact CG1-SD 4.31Å; I413-M494 HydrophobicContact CG2-CG 3.96Å; I413-M494 HydrophobicContact CG2-SD 3.53Å; I413-M494 VanDerWaalsContact CG2-SD 3.53Å; R490-M494 WeakPolarHBondContact O-CG 3.36Å; R490-M494 PolarHBondContact O-N 3.4Å; A491-M494 WeakPolarHBondContact O-CB 3.38Å; A491-M494 PolarHBondContact O-N 2.8Å; L492-M494 VanDerWaalsContact C-N 3.33Å; M494-Y498 PolarHBondContact O-N 3.2Å
495	R	98.6	Very high	98	Very high	68 Å²	68	59.2 Å²	59.2	26%	0.257	30%	0.302	S	S	.	.	H	α-helix	trans	-70	-38.5	171.1	-64.2	-55.5	-60.8	140.7	1.1	112.3	E390 I422 V424 A491 L492 L493 Y498 Y499	E390-R495 IonicContact OE1-CZ 2.85Å; E390-R495 IonicContact OE1-NE 2.69Å; E390-R495 PolarHBondContact OE1-NE 2.92Å; E390-R495 IonicContact OE1-NH2 3.15Å; E390-R495 PolarHBondContact OE1-NH2 3.36Å; E390-R495 IonicContact OE2-CZ 3.75Å; E390-R495 IonicContact OE2-NE 3.15Å; E390-R495 PolarHBondContact OE2-NE 2.71Å; E390-R495 IonicContact OE2-NH2 3.34Å; E390-R495 PolarHBondContact OE2-NH2 2.95Å; I422-R495 HydrophobicContact CD1-CB 3.54Å; V424-R495 HydrophobicContact CG2-CG 4.37Å; A491-R495 WeakPolarHBondContact O-CG 3.46Å; A491-R495 PolarHBondContact O-N 2.67Å; A491-R495 VanDerWaalsContact O-N 3.12Å; L492-R495 WeakPolarHBondContact O-CB 3.44Å; L492-R495 PolarHBondContact O-N 3.48Å; L492-R495 VanDerWaalsContact O-N 3.16Å; L493-R495 VanDerWaalsContact C-N 3.3Å; L493-R495 PolarHBondContact O-N 2.89Å; R495-Y498 VanDerWaalsContact NH2-CD1 3.35Å; R495-Y498 WeakPolarHBondContact O-CB 3.37Å; R495-Y498 PolarHBondContact O-N 2.83Å; R495-Y499 VanDerWaalsContact O-CD2 3.31Å; R495-Y499 WeakPolarHBondContact O-CD2 3.37Å; R495-Y499 PolarHBondContact O-N 3.13Å
496	L	98.5	Very high	97.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-42.8	170.9	-71.2	178.2	0	0	0	112	L392 I395 W414 A420 I422 L429 T431 L492 L493 Y498 Y499 N500	L392-L496 HydrophobicContact CD1-CD2 3.8Å; I395-L496 HydrophobicContact CD1-CD2 4.44Å; I395-L496 HydrophobicContact CG1-CD2 4.37Å; W414-L496 HydrophobicContact CD2-CB 3.94Å; W414-L496 HydrophobicContact CD2-CD1 4.28Å; W414-L496 HydrophobicContact CE3-CB 3.88Å; W414-L496 HydrophobicContact CG-CD1 4.49Å; W414-L496 HydrophobicContact CH2-CB 4.16Å; W414-L496 HydrophobicContact CZ2-CB 4.2Å; W414-L496 HydrophobicContact CZ2-CD1 4.27Å; W414-L496 HydrophobicContact CZ3-CB 4Å; A420-L496 HydrophobicContact CB-CD1 4.03Å; A420-L496 HydrophobicContact CB-CD2 3.97Å; I422-L496 HydrophobicContact CB-CD2 3.79Å; I422-L496 HydrophobicContact CB-CG 4.41Å; I422-L496 HydrophobicContact CD1-CD2 4.21Å; I422-L496 HydrophobicContact CG2-CD1 4.41Å; I422-L496 HydrophobicContact CG2-CD2 3.82Å; I422-L496 HydrophobicContact CG2-CG 3.9Å; L429-L496 HydrophobicContact CD2-CD1 3.92Å; T431-L496 HydrophobicContact CG2-CD1 4.23Å; L492-L496 PolarHBondContact O-N 3.37Å; L493-L496 HydrophobicContact CD2-CD1 4.43Å; L493-L496 WeakPolarHBondContact O-CB 3.28Å; L493-L496 PolarHBondContact O-N 3.5Å; L496-Y498 PolarHBondContact O-N 3.07Å; L496-Y499 PolarHBondContact O-N 3.17Å; L496-N500 VanDerWaalsContact O-CB 3.3Å; L496-N500 WeakPolarHBondContact O-CB 3.38Å; L496-N500 PolarHBondContact O-N 2.88Å
497	V	98.3	Very high	97.8	Very high	34 Å²	34	55.8 Å²	55.8	21%	0.206	29%	0.285	C	S	.	.	H	α-helix	trans	-58.2	-46.9	173.7	172.2	0	0	0	0	111.3	I413 W414 L493 Y499 N500 Q501	I413-V497 HydrophobicContact CG2-CG2 3.74Å; I413-V497 WeakPolarHBondContact O-CG2 3.23Å; W414-V497 HydrophobicContact CE3-CG2 3.9Å; L493-V497 WeakPolarHBondContact O-CG2 3.5Å; L493-V497 PolarHBondContact O-N 3.12Å; V497-Y499 PolarHBondContact O-N 3.4Å; V497-N500 PolarHBondContact O-N 3.34Å; V497-Q501 WeakPolarHBondContact O-CG 3.4Å; V497-Q501 PolarHBondContact O-N 3.43Å
498	Y	98.3	Very high	97.7	Very high	113 Å²	113	55.4 Å²	55.4	44%	0.443	28%	0.278	S	S	.	.	H	α-helix	trans	-57.4	-47.4	177	170.4	-92	0	0	0	112.5	M494 R495 L496 N500 Q501	M494-Y498 PolarHBondContact O-N 3.2Å; R495-Y498 VanDerWaalsContact NH2-CD1 3.35Å; R495-Y498 WeakPolarHBondContact O-CB 3.37Å; R495-Y498 PolarHBondContact O-N 2.83Å; L496-Y498 PolarHBondContact O-N 3.07Å; Y498-N500 VanDerWaalsContact C-N 3.35Å; Y498-Q501 WeakPolarHBondContact O-CB 3.29Å; Y498-Q501 PolarHBondContact O-N 3.48Å
499	Y	98.4	Very high	97.6	Very high	17 Å²	17	56.3 Å²	56.3	7%	0.067	28%	0.284	C	S	.	.	H	α-helix	trans	-68.7	-32.3	177.4	-81.9	-64.6	0	0	0	113.2	Y108 I110 E390 L392 I422 R495 L496 V497 Q501 T502 A503	Y108-Y499 HydrophobicContact CD2-CE1 4.32Å; Y108-Y499 HydrophobicContact CE2-CE1 4.08Å; I110-Y499 HydrophobicContact CD1-CD1 3.96Å; I110-Y499 HydrophobicContact CD1-CG 4.49Å; I110-Y499 WeakPolarHBondContact CD1-O 3.4Å; E390-Y499 HydrophobicContact CG-CE2 4.13Å; E390-Y499 PolarHBondContact OE2-OH 2.84Å; L392-Y499 HydrophobicContact CB-CD1 4.35Å; L392-Y499 HydrophobicContact CB-CD2 4.1Å; L392-Y499 HydrophobicContact CB-CE1 4.32Å; L392-Y499 HydrophobicContact CB-CE2 4.06Å; L392-Y499 HydrophobicContact CB-CG 4.24Å; L392-Y499 HydrophobicContact CD1-CD2 3.97Å; L392-Y499 HydrophobicContact CD1-CG 4.13Å; L392-Y499 HydrophobicContact CD2-CD1 4.07Å; L392-Y499 HydrophobicContact CD2-CD2 4.49Å; L392-Y499 HydrophobicContact CD2-CG 3.92Å; L392-Y499 HydrophobicContact CG-CD2 4.41Å; L392-Y499 HydrophobicContact CG-CG 4.33Å; I422-Y499 HydrophobicContact CD1-CD2 3.76Å; I422-Y499 HydrophobicContact CD1-CE2 3.82Å; R495-Y499 VanDerWaalsContact O-CD2 3.31Å; R495-Y499 WeakPolarHBondContact O-CD2 3.37Å; R495-Y499 PolarHBondContact O-N 3.13Å; L496-Y499 PolarHBondContact O-N 3.17Å; V497-Y499 PolarHBondContact O-N 3.4Å; Y499-Q501 VanDerWaalsContact C-N 3.29Å; Y499-Q501 PolarHBondContact O-N 3.38Å; Y499-T502 PolarHBondContact O-N 3.18Å; Y499-T502 PolarHBondContact O-OG1 3.31Å; Y499-T502 VanDerWaalsContact O-OG1 3.1Å; Y499-A503 PolarHBondContact O-N 2.94Å
500	N	97.7	Very high	97.4	Very high	78 Å²	78	60.3 Å²	60.3	42%	0.417	32%	0.317	S	S	.	.	H	α-helix	trans	-71	-26.3	175.9	-164.6	63.3	0	0	0	112.3	I395 W414 L496 V497 Y498 T502 A503	I395-N500 HydrophobicContact CD1-CB 4.03Å; W414-N500 HydrophobicContact CH2-CB 3.98Å; W414-N500 HydrophobicContact CZ3-CB 3.65Å; L496-N500 VanDerWaalsContact O-CB 3.3Å; L496-N500 WeakPolarHBondContact O-CB 3.38Å; L496-N500 PolarHBondContact O-N 2.88Å; V497-N500 PolarHBondContact O-N 3.34Å; Y498-N500 VanDerWaalsContact C-N 3.35Å; N500-T502 VanDerWaalsContact C-N 3.3Å; N500-A503 PolarHBondContact O-N 3.34Å
501	Q	97.5	Very high	97.1	Very high	149 Å²	149	59 Å²	59	70%	0.696	32%	0.316	S	S	*	.	H	α-helix	trans	-70.3	-22.9	172.4	-72.8	170.5	-2	0	0	113.3	V497 Y498 Y499	V497-Q501 WeakPolarHBondContact O-CG 3.4Å; V497-Q501 PolarHBondContact O-N 3.43Å; Y498-Q501 WeakPolarHBondContact O-CB 3.29Å; Y498-Q501 PolarHBondContact O-N 3.48Å; Y499-Q501 VanDerWaalsContact C-N 3.29Å; Y499-Q501 PolarHBondContact O-N 3.38Å
502	T	97.1	Very high	96.9	Very high	60 Å²	60	58.7 Å²	58.7	37%	0.368	31%	0.307	S	S	.	.	S	Bend	trans	-95.3	-4.8	174.9	67.4	0	0	0	0	113.3	H111 Y499 N500	H111-T502 PolarHBondContact CD2-O 3.25Å; H111-T502 VanDerWaalsContact CD2-O 3.25Å; H111-T502 WeakPolarHBondContact NE2-CB 3.48Å; H111-T502 PolarHBondContact NE2-O 2.63Å; H111-T502 PolarHBondContact NE2-OG1 3.21Å; Y499-T502 PolarHBondContact O-N 3.18Å; Y499-T502 PolarHBondContact O-OG1 3.31Å; Y499-T502 VanDerWaalsContact O-OG1 3.1Å; N500-T502 VanDerWaalsContact C-N 3.3Å
503	A	97.3	Very high	96.7	Very high	30 Å²	30	63.4 Å²	63.4	25%	0.248	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-73.9	132.9	-175.5	0	0	0	0	0	113.1	I110 Y499 N500	I110-A503 HydrophobicContact CB-CB 3.79Å; I110-A503 HydrophobicContact CG2-CB 4.09Å; I110-A503 CarbonylContact O-C 3.58Å; I110-A503 WeakPolarHBondContact O-CA 3.31Å; Y499-A503 PolarHBondContact O-N 2.94Å; N500-A503 PolarHBondContact O-N 3.34Å
504	I	96.3	Very high	96.5	Very high	68 Å²	68	68.8 Å²	68.8	35%	0.349	36%	0.358	S	S	.	.	P	Polyproline II helix	trans	-85.6	154.6	166.9	72.4	171.9	0	0	0	110.5	I110 Q115	I110-I504 PolarHBondContact O-N 2.82Å; Q115-I504 PolarHBondContact NE2-O 2.92Å
505	P	96.2	Very high	96.3	Very high	85 Å²	85	64 Å²	64	55%	0.552	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-63.8	151.6	-175.3	-17.8	30.2	0	0	0	112.8	R507 W536	P505-R507 PolarHBondContact O-N 3.38Å; P505-W536 HydrophobicContact CB-CH2 3.88Å; P505-W536 HydrophobicContact CB-CZ2 4.21Å; P505-W536 HydrophobicContact CG-CH2 4.38Å; P505-W536 WeakPolarHBondContact O-CH2 3.42Å
506	V	96.5	Very high	96.2	Very high	24 Å²	24	62.6 Å²	62.6	15%	0.145	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-68.8	124	-175.6	-170.2	0	0	0	0	111.1	Q115 H116 P397 L398 Y508	Q115-V506 HydrophobicContact CB-CG1 4.48Å; Q115-V506 HydrophobicContact CB-CG2 4.18Å; Q115-V506 HydrophobicContact CG-CG2 4.46Å; H116-V506 HydrophobicContact CB-CG1 3.65Å; P397-V506 HydrophobicContact CG-CG2 3.68Å; L398-V506 HydrophobicContact CD1-CB 4.08Å; L398-V506 HydrophobicContact CD1-CG1 3.76Å; L398-V506 HydrophobicContact CG-CB 4.41Å; L398-V506 HydrophobicContact CG-CG1 4.39Å; L398-V506 HydrophobicContact CG-CG2 4.38Å; V506-Y508 PolarHBondContact O-N 3.1Å
507	R	95.7	Very high	96.1	Very high	44 Å²	44	62.6 Å²	62.6	17%	0.166	33%	0.332	C	S	.	.			trans	-95.3	83.4	176.9	-65.5	179.4	71.3	-120.1	-0.8	109.8	G113 N125 C126 P505 W536	G113-R507 WeakPolarHBondContact O-CA 3.25Å; G113-R507 WeakPolarHBondContact O-CB 3.27Å; G113-R507 PolarHBondContact O-N 3.12Å; N125-R507 PolarHBondContact ND2-O 3.25Å; N125-R507 PolarHBondContact OD1-NH1 2.55Å; N125-R507 VanDerWaalsContact OD1-NH1 3.12Å; C126-R507 PolarHBondContact O-NH1 3.19Å; P505-R507 PolarHBondContact O-N 3.38Å; R507-W536 HydrophobicContact CB-CZ2 4.44Å; R507-W536 HydrophobicContact CG-CD2 4.07Å; R507-W536 HydrophobicContact CG-CE3 3.9Å; R507-W536 HydrophobicContact CG-CH2 3.36Å; R507-W536 HydrophobicContact CG-CZ2 3.55Å; R507-W536 HydrophobicContact CG-CZ3 3.56Å
508	Y	95.2	Very high	96	Very high	81 Å²	81	66.4 Å²	66.4	32%	0.318	35%	0.351	S	S	.	.			trans	-123.4	75.1	174.7	-161.6	-108.6	0	0	0	111	H116 S117 Q123 V506	H116-Y508 AromaticContact CD2-CD1 3.69Å; H116-Y508 AromaticContact CD2-CD2 3.91Å; H116-Y508 AromaticContact CD2-CE1 3.74Å; H116-Y508 AromaticContact CD2-CE2 3.98Å; H116-Y508 AromaticContact CD2-CG 3.75Å; H116-Y508 AromaticContact CD2-CZ 3.86Å; S117-Y508 PolarHBondContact OG-OH 3.17Å; Q123-Y508 VanDerWaalsContact NE2-CE2 3.3Å; V506-Y508 PolarHBondContact O-N 3.1Å
509	P	96	Very high	95.8	Very high	34 Å²	34	68.2 Å²	68.2	22%	0.221	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-68.7	160.2	-176.7	29.3	-35.2	0	0	0	112.3	Q123 P124 N125	Q123-P509 WeakPolarHBondContact CG-O 3.42Å; Q123-P509 PolarHBondContact NE2-O 2.91Å; P124-P509 HydrophobicContact CG-CB 4.1Å; P124-P509 HydrophobicContact CG-CG 4.12Å; N125-P509 HydrophobicContact CB-CG 3.87Å
510	A	94.6	Very high	95.6	Very high	85 Å²	85	70.6 Å²	70.6	70%	0.702	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-65.9	158.8	171.8	0	0	0	0	0	111.9	P124	P124-A510 WeakPolarHBondContact CD-O 3.15Å
511	E	93.6	Very high	95.5	Very high	98 Å²	98	69.9 Å²	69.9	46%	0.458	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-69.8	139.6	178.8	-56.6	172.8	150.2	0	0	111.2	R122 Q123	R122-E511 HydrophobicContact CB-CB 4.1Å; R122-E511 HydrophobicContact CB-CG 4.48Å; R122-E511 VanDerWaalsContact CZ-CD 3.49Å; R122-E511 IonicContact CZ-OE1 3.37Å; R122-E511 IonicContact CZ-OE2 3.51Å; R122-E511 VanDerWaalsContact CZ-OE2 3.27Å; R122-E511 VanDerWaalsContact NH1-CD 3.28Å; R122-E511 IonicContact NH1-OE1 2.74Å; R122-E511 IonicContact NH1-OE2 3.49Å; R122-E511 PolarHBondContact NH1-OE2 2.95Å; R122-E511 IonicContact NH2-OE1 3.37Å; R122-E511 PolarHBondContact NH2-OE1 3.2Å; R122-E511 IonicContact NH2-OE2 3.63Å; R122-E511 PolarHBondContact NH2-OE2 3.26Å; R122-E511 VanDerWaalsContact NH2-OE2 3.1Å; R122-E511 CarbonylContact O-C 3.6Å; R122-E511 WeakPolarHBondContact O-CA 3.2Å; Q123-E511 HydrophobicContact CG-CG 4.44Å
512	N	94.4	Very high	95.4	Very high	50 Å²	50	64.1 Å²	64.1	27%	0.267	37%	0.367	S	S	.	.			trans	-106.4	120.7	-178.2	-169.1	-37	0	0	0	110.9	R122 P124 R514 A515 W527	R122-N512 PolarHBondContact O-N 3.05Å; P124-N512 HydrophobicContact CG-CB 4.47Å; N512-R514 PolarHBondContact O-N 3.13Å; N512-R514 VanDerWaalsContact O-N 3.11Å; N512-R514 WeakPolarHBondContact OD1-CB 3.48Å; N512-R514 PolarHBondContact OD1-N 3.07Å; N512-A515 WeakPolarHBondContact O-CB 3.14Å; N512-A515 PolarHBondContact O-N 2.98Å; N512-W527 HydrophobicContact CB-CZ2 4.46Å
513	P	92.9	Very high	95.5	Very high	105 Å²	105	61.3 Å²	61.3	68%	0.682	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-57.8	-23.8	178.1	-28	36.4	0	0	0	115.4	A515 H516 F519	P513-A515 PolarHBondContact O-N 2.84Å; P513-A515 VanDerWaalsContact O-N 3.13Å; P513-H516 PolarHBondContact O-N 2.86Å; P513-F519 WeakPolarHBondContact O-CE2 3.49Å
514	R	94.4	Very high	95.5	Very high	113 Å²	113	60 Å²	60	43%	0.426	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-60.5	-18.3	173.8	-75.9	172.1	63.6	-176.4	-4.7	113.2	N512 H516 W527 D532	N512-R514 PolarHBondContact O-N 3.13Å; N512-R514 VanDerWaalsContact O-N 3.11Å; N512-R514 WeakPolarHBondContact OD1-CB 3.48Å; N512-R514 PolarHBondContact OD1-N 3.07Å; R514-H516 VanDerWaalsContact C-N 3.27Å; R514-H516 PolarHBondContact O-N 3.08Å; R514-W527 HydrophobicContact CB-CB 4.32Å; R514-W527 HydrophobicContact CB-CG 4.08Å; R514-W527 PolarHBondContact NH2-O 3.11Å; R514-W527 WeakPolarHBondContact O-CB 3.42Å; R514-D532 IonicContact CZ-OD2 3.33Å; R514-D532 VanDerWaalsContact CZ-OD2 3.28Å; R514-D532 IonicContact NH1-OD1 2.74Å; R514-D532 PolarHBondContact NH1-OD1 2.99Å; R514-D532 IonicContact NH1-OD2 3.79Å; R514-D532 PolarHBondContact NH1-OD2 3.36Å; R514-D532 IonicContact NH2-OD2 3.9Å; R514-D532 PolarHBondContact NH2-OD2 3.14Å
515	A	95.3	Very high	95.5	Very high	7 Å²	7	57 Å²	57	6%	0.058	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-77	-3.7	178.2	0	0	0	0	0	114.9	R122 N512 P513 W524 W527	R122-A515 HydrophobicContact CB-CB 3.91Å; R122-A515 HydrophobicContact CG-CB 3.83Å; N512-A515 WeakPolarHBondContact O-CB 3.14Å; N512-A515 PolarHBondContact O-N 2.98Å; P513-A515 PolarHBondContact O-N 2.84Å; P513-A515 VanDerWaalsContact O-N 3.13Å; A515-W524 VanDerWaalsContact O-CZ3 3.25Å; A515-W524 WeakPolarHBondContact O-CZ3 3.25Å; A515-W527 HydrophobicContact CB-CD2 3.57Å; A515-W527 HydrophobicContact CB-CE3 3.45Å; A515-W527 VanDerWaalsContact CB-CE3 3.45Å; A515-W527 HydrophobicContact CB-CG 4.36Å; A515-W527 HydrophobicContact CB-CH2 3.53Å; A515-W527 HydrophobicContact CB-CZ2 3.63Å; A515-W527 HydrophobicContact CB-CZ3 3.44Å; A515-W527 VanDerWaalsContact CB-CZ3 3.44Å
516	H	96.3	Very high	95.6	Very high	39 Å²	39	55 Å²	55	18%	0.181	31%	0.312	C	S	.	.			trans	-64	128.6	-178.7	-162	-90.8	0	0	0	111.2	P513 R514 D518 F519	P513-H516 PolarHBondContact O-N 2.86Å; R514-H516 VanDerWaalsContact C-N 3.27Å; R514-H516 PolarHBondContact O-N 3.08Å; H516-D518 IonicContact ND1-OD2 3.21Å; H516-D518 PolarHBondContact O-N 3.39Å; H516-D518 PolarHBondContact ND1-OD2 3.1Å; H516-D518 IonicContact ND1-OD1 3.74Å; H516-D518 VanDerWaalsContact ND1-CG 3.29Å; H516-D518 PolarHBondContact CE1-OD2 2.97Å; H516-D518 VanDerWaalsContact CE1-CG 3.45Å; H516-D518 IonicContact CE1-OD2 2.75Å; H516-D518 IonicContact CE1-OD1 2.77Å; H516-D518 VanDerWaalsContact CE1-OD2 3.27Å; H516-F519 HydrophobicContact CB-CD2 3.71Å; H516-F519 HydrophobicContact CB-CE2 3.73Å; H516-F519 PolarHBondContact O-N 2.77Å
517	P	96.9	Very high	95.5	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.006	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-54.3	-30.5	-173.8	-32.6	39	0	0	0	115.6	F519 N520 G521 G522 W524	P517-F519 VanDerWaalsContact O-N 3.16Å; P517-F519 PolarHBondContact O-N 2.04Å; P517-N520 CarbonylContact O-C 3.37Å; P517-N520 WeakPolarHBondContact O-CA 3.22Å; P517-N520 PolarHBondContact O-N 3.24Å; P517-G521 PolarHBondContact O-N 3.35Å; P517-G522 WeakPolarHBondContact O-CA 3.37Å; P517-G522 PolarHBondContact O-N 3.35Å; P517-W524 HydrophobicContact CG-CZ3 4.13Å; P517-W524 HydrophobicContact CG-CZ2 3.71Å; P517-W524 HydrophobicContact CG-CH2 4.01Å; P517-W524 HydrophobicContact CG-CE3 4Å; P517-W524 HydrophobicContact CG-CD2 3.71Å; P517-W524 HydrophobicContact CG-CG 4.26Å
518	D	95.7	Very high	95.3	Very high	113 Å²	113	54.2 Å²	54.2	60%	0.604	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-52.9	-33.5	173.7	-62.5	-0.4	0	0	0	113.4	H516 N520	H516-D518 IonicContact ND1-OD2 3.21Å; H516-D518 PolarHBondContact O-N 3.39Å; H516-D518 PolarHBondContact ND1-OD2 3.1Å; H516-D518 IonicContact ND1-OD1 3.74Å; H516-D518 VanDerWaalsContact ND1-CG 3.29Å; H516-D518 PolarHBondContact CE1-OD2 2.97Å; H516-D518 VanDerWaalsContact CE1-CG 3.45Å; H516-D518 IonicContact CE1-OD2 2.75Å; H516-D518 IonicContact CE1-OD1 2.77Å; H516-D518 VanDerWaalsContact CE1-OD2 3.27Å; D518-N520 PolarHBondContact O-N 2.7Å
519	F	94.9	Very high	94.5	Very high	152 Å²	152	52.6 Å²	52.6	67%	0.667	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-76.2	-10.6	177.6	-57.4	-51.4	0	0	0	113.4	P513 H516 P517	P513-F519 WeakPolarHBondContact O-CE2 3.49Å; H516-F519 HydrophobicContact CB-CD2 3.71Å; H516-F519 HydrophobicContact CB-CE2 3.73Å; H516-F519 PolarHBondContact O-N 2.77Å; P517-F519 VanDerWaalsContact O-N 3.16Å; P517-F519 PolarHBondContact O-N 2.04Å
520	N	93.3	Very high	92.9	Very high	67 Å²	67	58 Å²	58	36%	0.358	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-126.1	36.9	178	-175.7	53.6	0	0	0	111.1	P517 D518 G522 A523 W524	P517-N520 CarbonylContact O-C 3.37Å; P517-N520 WeakPolarHBondContact O-CA 3.22Å; P517-N520 PolarHBondContact O-N 3.24Å; D518-N520 PolarHBondContact O-N 2.7Å; N520-G522 PolarHBondContact O-N 3.46Å; N520-A523 WeakPolarHBondContact CB-O 3.33Å; N520-A523 PolarHBondContact ND2-O 3.07Å; N520-A523 PolarHBondContact O-N 2.92Å; N520-W524 PolarHBondContact ND2-O 3.31Å
521	G	94.5	Very high	91.3	Very high	63 Å²	63	60.7 Å²	60.7	65%	0.649	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	24.7	171.5	0	0	0	0	0	115.4	P517	P517-G521 PolarHBondContact O-N 3.35Å
522	G	96.9	Very high	89.9	Confident	27 Å²	27	58.5 Å²	58.5	28%	0.278	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.8	9.1	-177.7	0	0	0	0	0	114.3	G193 Y194 P517 N520	G193-G522 CarbonylContact C-O 3.51Å; G193-G522 VanDerWaalsContact CA-O 3.24Å; G193-G522 WeakPolarHBondContact CA-O 3.37Å; Y194-G522 PolarHBondContact N-O 2.92Å; P517-G522 WeakPolarHBondContact O-CA 3.37Å; P517-G522 PolarHBondContact O-N 3.35Å; N520-G522 PolarHBondContact O-N 3.46Å
523	A	97.9	Very high	88	Confident	1 Å²	1	62 Å²	62	1%	0.008	35%	0.35	C	S	.	.	B	Isolated β-bridge	trans	-118.4	151.1	177.8	0	0	0	0	0	112	Y194 V202 W204 N520	Y194-A523 CarbonylContact O-C 3.29Å; Y194-A523 VanDerWaalsContact O-CA 3.23Å; Y194-A523 WeakPolarHBondContact O-CA 3.07Å; Y194-A523 WeakPolarHBondContact O-CB 3.07Å; V202-A523 HydrophobicContact CB-CB 4.48Å; V202-A523 HydrophobicContact CG1-CB 3.93Å; V202-A523 HydrophobicContact CG2-CB 3.71Å; W204-A523 HydrophobicContact CH2-CB 4.09Å; W204-A523 HydrophobicContact CZ2-CB 4Å; N520-A523 WeakPolarHBondContact CB-O 3.33Å; N520-A523 PolarHBondContact ND2-O 3.07Å; N520-A523 PolarHBondContact O-N 2.92Å
524	W	98.2	Very high	86.2	Confident	2 Å²	2	61 Å²	61	1%	0.008	34%	0.339	C	S	.	.			trans	-69.7	153.7	166.1	-65.7	98.3	0	0	0	110.3	P121 R122 F155 T175 N185 D187 V191 G193 Y194 D195 H197 A515 P517 N520	P121-W524 HydrophobicContact CB-CD2 4.14Å; P121-W524 HydrophobicContact CB-CE3 3.72Å; P121-W524 HydrophobicContact CB-CH2 3.61Å; P121-W524 HydrophobicContact CB-CZ2 4.02Å; P121-W524 HydrophobicContact CB-CZ3 3.45Å; P121-W524 VanDerWaalsContact CB-CZ3 3.45Å; R122-W524 HydrophobicContact CG-CH2 3.78Å; R122-W524 HydrophobicContact CG-CZ3 3.72Å; F155-W524 HydrophobicContact CE2-CB 4.26Å; F155-W524 HydrophobicContact CE2-CE3 4.37Å; F155-W524 HydrophobicContact CZ-CB 4.32Å; F155-W524 HydrophobicContact CZ-CE3 4.14Å; T175-W524 HydrophobicContact CG2-CB 4.15Å; T175-W524 HydrophobicContact CG2-CD2 4.23Å; T175-W524 HydrophobicContact CG2-CG 3.9Å; N185-W524 PolarHBondContact O-NE1 2.75Å; D187-W524 HydrophobicContact CB-CH2 3.91Å; D187-W524 HydrophobicContact CB-CZ2 3.98Å; V191-W524 HydrophobicContact CG1-CH2 3.82Å; V191-W524 HydrophobicContact CG1-CZ2 4.18Å; G193-W524 PolarHBondContact O-NE1 3.26Å; Y194-W524 PolarHBondContact O-N 3.19Å; D195-W524 HydrophobicContact CB-CB 4.27Å; D195-W524 HydrophobicContact CB-CG 4.45Å; H197-W524 PolarHBondContact CE1-O 3.15Å; H197-W524 PolarHBondContact NE2-O 2.85Å; A515-W524 VanDerWaalsContact O-CZ3 3.25Å; A515-W524 WeakPolarHBondContact O-CZ3 3.25Å; P517-W524 HydrophobicContact CG-CZ3 4.13Å; P517-W524 HydrophobicContact CG-CZ2 3.71Å; P517-W524 HydrophobicContact CG-CH2 4.01Å; P517-W524 HydrophobicContact CG-CE3 4Å; P517-W524 HydrophobicContact CG-CD2 3.71Å; P517-W524 HydrophobicContact CG-CG 4.26Å; N520-W524 PolarHBondContact ND2-O 3.31Å
525	G	96.9	Very high	83.9	Confident	6 Å²	6	64.6 Å²	64.6	6%	0.062	36%	0.361	C	S	.	.			trans	161.8	180	-176.9	0	0	0	0	0	113.1
526	P	96.8	Very high	81.5	Confident	43 Å²	43	69.2 Å²	69.2	28%	0.279	38%	0.377	S	S	.	.			trans	-64.5	135.3	-179.8	-19.3	30.7	0	0	0	113	F155 Y156 K158 L161	F155-P526 VanDerWaalsContact O-CA 3.26Å; F155-P526 WeakPolarHBondContact O-CA 3.36Å; F155-P526 WeakPolarHBondContact O-CB 3.43Å; F155-P526 WeakPolarHBondContact O-CG 3.3Å; Y156-P526 CarbonylContact O-C 3.58Å; Y156-P526 WeakPolarHBondContact O-CA 3.32Å; K158-P526 HydrophobicContact CG-CG 4.47Å; L161-P526 HydrophobicContact CD1-CG 3.95Å; L161-P526 HydrophobicContact CD2-CG 4.13Å; L161-P526 HydrophobicContact CG-CG 4.21Å
527	W	94.8	Very high	78.7	Confident	32 Å²	32	76.8 Å²	76.8	12%	0.121	41%	0.412	C	S	.	.			trans	-122.7	-13.3	178.8	66.6	80.9	0	0	0	114	P121 Q123 P124 F155 Y156 N512 R514 A515	P121-W527 VanDerWaalsContact O-CH2 3.29Å; P121-W527 WeakPolarHBondContact O-CH2 3.42Å; P121-W527 VanDerWaalsContact O-CZ3 3.29Å; P121-W527 WeakPolarHBondContact O-CZ3 3.17Å; Q123-W527 WeakPolarHBondContact O-CH2 3.28Å; P124-W527 HydrophobicContact CB-CZ2 4.36Å; F155-W527 HydrophobicContact CD2-CZ3 4.2Å; F155-W527 HydrophobicContact CE2-CE3 4.46Å; F155-W527 AromaticContact CE2-CZ3 3.77Å; F155-W527 HydrophobicContact CE2-CZ3 3.77Å; F155-W527 HydrophobicContact CZ-CZ3 4.45Å; Y156-W527 VanDerWaalsContact CB-CH2 3.4Å; Y156-W527 HydrophobicContact CG-CZ2 4.4Å; Y156-W527 PolarHBondContact O-N 3.22Å; N512-W527 HydrophobicContact CB-CZ2 4.46Å; R514-W527 HydrophobicContact CB-CB 4.32Å; R514-W527 HydrophobicContact CB-CG 4.08Å; R514-W527 PolarHBondContact NH2-O 3.11Å; R514-W527 WeakPolarHBondContact O-CB 3.42Å; A515-W527 HydrophobicContact CB-CD2 3.57Å; A515-W527 HydrophobicContact CB-CE3 3.45Å; A515-W527 VanDerWaalsContact CB-CE3 3.45Å; A515-W527 HydrophobicContact CB-CG 4.36Å; A515-W527 HydrophobicContact CB-CH2 3.53Å; A515-W527 HydrophobicContact CB-CZ2 3.63Å; A515-W527 HydrophobicContact CB-CZ3 3.44Å; A515-W527 VanDerWaalsContact CB-CZ3 3.44Å
528	A	91.6	Very high	75.7	Confident	19 Å²	19	79.7 Å²	79.7	16%	0.157	44%	0.442	C	S	.	.	S	Bend	trans	-88.4	144.2	175.8	0	0	0	0	0	111	Y156 K157 D532	Y156-A528 HydrophobicContact CD2-CB 3.97Å; Y156-A528 HydrophobicContact CE2-CB 4.48Å; Y156-A528 WeakPolarHBondContact O-CB 2.96Å; Y156-A528 PolarHBondContact O-N 2.74Å; K157-A528 HydrophobicContact CG-CB 3.7Å; A528-D532 VanDerWaalsContact CA-OD2 3.32Å; A528-D532 WeakPolarHBondContact CA-OD2 3.25Å; A528-D532 HydrophobicContact CB-CB 4.19Å
529	S	78.1	Confident	72.8	Confident	48 Å²	48	78 Å²	78	34%	0.336	45%	0.452	S	S	.	.			trans	-80.9	169.9	174.1	64.6	0	0	0	0	111.7	D531 D532	S529-D531 PolarHBondContact O-N 3.43Å; S529-D531 PolarHBondContact OG-N 2.97Å; S529-D532 PolarHBondContact OG-OD2 2.89Å; S529-D532 VanDerWaalsContact OG-N 3.14Å; S529-D532 PolarHBondContact OG-N 2.7Å; S529-D532 PolarHBondContact O-N 3.2Å; S529-D532 PolarHBondContact N-OD2 3.16Å; S529-D532 VanDerWaalsContact OG-CG 3.26Å
530	E	63.9	Low	69.8	Low	146 Å²	146	74.5 Å²	74.5	68%	0.682	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-21.6	172	-71.2	152.4	-139.6	0	0	111.5	K158	K158-E530 IonicContact NZ-OE1 3.46Å; K158-E530 PolarHBondContact NZ-OE1 3.35Å
531	D	59.8	Low	66.6	Low	142 Å²	142	79.6 Å²	79.6	76%	0.759	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-12.3	173.6	-55.3	-65.1	0	0	0	114.7	S529 V533	S529-D531 PolarHBondContact O-N 3.43Å; S529-D531 PolarHBondContact OG-N 2.97Å; D531-V533 VanDerWaalsContact C-N 3.34Å; D531-V533 PolarHBondContact O-N 2.84Å
532	D	65.3	Low	63.6	Low	52 Å²	52	82.3 Å²	82.3	28%	0.278	49%	0.486	S	S	.	.			trans	-72.1	87	179.4	-81.1	-43.1	0	0	0	108.9	K157 R514 A528 S529	K157-D532 WeakPolarHBondContact CE-O 3.43Å; K157-D532 PolarHBondContact NZ-O 2.78Å; R514-D532 IonicContact CZ-OD2 3.33Å; R514-D532 VanDerWaalsContact CZ-OD2 3.28Å; R514-D532 IonicContact NH1-OD1 2.74Å; R514-D532 PolarHBondContact NH1-OD1 2.99Å; R514-D532 IonicContact NH1-OD2 3.79Å; R514-D532 PolarHBondContact NH1-OD2 3.36Å; R514-D532 IonicContact NH2-OD2 3.9Å; R514-D532 PolarHBondContact NH2-OD2 3.14Å; A528-D532 VanDerWaalsContact CA-OD2 3.32Å; A528-D532 WeakPolarHBondContact CA-OD2 3.25Å; A528-D532 HydrophobicContact CB-CB 4.19Å; S529-D532 PolarHBondContact OG-OD2 2.89Å; S529-D532 VanDerWaalsContact OG-N 3.14Å; S529-D532 PolarHBondContact OG-N 2.7Å; S529-D532 PolarHBondContact O-N 3.2Å; S529-D532 PolarHBondContact N-OD2 3.16Å; S529-D532 VanDerWaalsContact OG-CG 3.26Å
533	V	54.7	Low	60.4	Low	125 Å²	125	88.9 Å²	88.9	76%	0.758	51%	0.514	S	S	*	.			trans	-56.6	140.7	179.9	-174.6	0	0	0	0	111.3	D531 E535	D531-V533 VanDerWaalsContact C-N 3.34Å; D531-V533 PolarHBondContact O-N 2.84Å; V533-E535 PolarHBondContact O-N 2.85Å
534	D	55.3	Low	57.2	Low	82 Å²	82	97.9 Å²	97.9	44%	0.439	55%	0.553	S	S	.	*			trans	-74.5	85.2	177.7	-67.7	-47.9	0	0	0	111.6	Y156 K157 W536	Y156-D534 PolarHBondContact OH-OD1 3.1Å; K157-D534 IonicContact NZ-OD1 3.69Å; K157-D534 PolarHBondContact NZ-OD1 3.17Å; K157-D534 IonicContact NZ-OD2 2.7Å; K157-D534 PolarHBondContact NZ-OD2 2.94Å; D534-W536 PolarHBondContact O-N 2.96Å
535	E	44.8	Very low	54.2	Low	189 Å²	189	105.5 Å²	105.5	88%	0.883	59%	0.594	S	S	*	*			trans	-67.1	71.8	171.1	-69.4	-169.6	156.3	0	0	111.6	V533	V533-E535 PolarHBondContact O-N 2.85Å
536	W	44.5	Very low	51	Low	105 Å²	105	116.3 Å²	116.3	40%	0.398	63%	0.633	S	S	.	*			trans	-135.9	66.8	168.3	-165.4	76.2	0	0	0	110.5	P505 R507 D534	P505-W536 HydrophobicContact CB-CH2 3.88Å; P505-W536 HydrophobicContact CB-CZ2 4.21Å; P505-W536 HydrophobicContact CG-CH2 4.38Å; P505-W536 WeakPolarHBondContact O-CH2 3.42Å; R507-W536 HydrophobicContact CB-CZ2 4.44Å; R507-W536 HydrophobicContact CG-CD2 4.07Å; R507-W536 HydrophobicContact CG-CE3 3.9Å; R507-W536 HydrophobicContact CG-CH2 3.36Å; R507-W536 HydrophobicContact CG-CZ2 3.55Å; R507-W536 HydrophobicContact CG-CZ3 3.56Å; D534-W536 PolarHBondContact O-N 2.96Å
537	E	37.6	Very low	48.2	Very low	197 Å²	197	121 Å²	121	92%	0.921	66%	0.655	S	S	*	*			trans	-72.1	128.2	163.6	-68.1	-169.3	149.7	0	0	109.5	G539	E537-G539 PolarHBondContact O-N 3.36Å
538	G	34.8	Very low	45.1	Very low	62 Å²	62	128.9 Å²	128.9	64%	0.639	69%	0.691	S	S	*	*			trans	-81	102.4	-173.6	0	0	0	0	0	113.3
539	G	34.1	Very low	42.4	Very low	78 Å²	78	136.8 Å²	136.8	80%	0.804	72%	0.721	S	S	*	*	S	Bend	trans	106.2	114.1	154.7	0	0	0	0	0	117.3	E537	E537-G539 PolarHBondContact O-N 3.36Å
540	G	32	Very low	40.2	Very low	78 Å²	78	144.4 Å²	144.4	80%	0.804	75%	0.748	S	S	*	*			trans	83.9	74.1	139.1	0	0	0	0	0	119.6
541	E	26.2	Very low	38.6	Very low	175 Å²	175	146.9 Å²	146.9	82%	0.818	76%	0.757	S	S	*	*				-171.2	150.8	123.2	-106.5	-162.3	-171.6	0	0	111.9	L543	E541-L543 PolarHBondContact O-N 2.95Å; E541-L543 VanDerWaalsContact O-N 3.09Å
542	P	32	Very low	37.1	Very low	119 Å²	119	145.3 Å²	145.3	77%	0.773	76%	0.756	S	S	*	*			trans	-78	92.8	174.1	31.8	-32.5	0	0	0	110.9	K544	P542-K544 PolarHBondContact O-N 2.79Å
543	L	30.1	Very low	35.6	Very low	166 Å²	166	151.5 Å²	151.5	87%	0.869	78%	0.78	S	S	*	*			trans	-56.1	105.8	-177.7	-95.9	167.3	0	0	0	113.3	E541	E541-L543 PolarHBondContact O-N 2.95Å; E541-L543 VanDerWaalsContact O-N 3.09Å
544	K	30.6	Very low	35	Very low	190 Å²	190	153.5 Å²	153.5	83%	0.826	79%	0.785	S	S	*	*			trans	-59.3	134.8	173.7	-74.3	172.3	177.5	165.7	0	111.4	P542 R546	P542-K544 PolarHBondContact O-N 2.79Å; K544-R546 PolarHBondContact O-N 2.93Å
545	N	35.2	Very low	34	Very low	162 Å²	162	155 Å²	155	87%	0.866	80%	0.801	S	S	*	*			trans	-32.8	105.1	175.6	-97.5	-42.4	0	0	0	114.7
546	R	29.9	Very low	33.5	Very low	232 Å²	232	156.2 Å²	156.2	88%	0.875	80%	0.803	S	S	*	*			trans	-111.5	88.8	169	-85.7	-174	163.7	179.2	-2.7	111.6	K544 K548	K544-R546 PolarHBondContact O-N 2.93Å; R546-K548 PolarHBondContact O-N 3.23Å; R546-K548 VanDerWaalsContact O-N 3.11Å
547	N	37.3	Very low	33	Very low	141 Å²	141	159 Å²	159	75%	0.754	83%	0.825	S	S	*	*			trans	-52.1	110.3	171	-98.3	-68.2	0	0	0	112.2
548	K	30.1	Very low	32.9	Very low	199 Å²	199	161.3 Å²	161.3	87%	0.865	83%	0.825	S	S	*	*			trans	-117.2	85.4	164.4	-91.1	-176.3	174.6	175.3	0	111.1	R546 K550	R546-K548 PolarHBondContact O-N 3.23Å; R546-K548 VanDerWaalsContact O-N 3.11Å; K548-K550 PolarHBondContact O-N 3.07Å
549	K	34.8	Very low	33	Very low	184 Å²	184	164.1 Å²	164.1	80%	0.8	84%	0.835	S	S	*	*			trans	-66.9	92.3	172.8	-70.1	178.4	178	171.8	0	111.4	K551	K549-K551 PolarHBondContact O-N 2.78Å
550	K	30.2	Very low	33	Very low	208 Å²	208	169 Å²	169	90%	0.904	84%	0.835	S	S	*	*			trans	-79.1	108.7	159.1	-82.4	-173.2	174.4	179.8	0	109.1	K548 C552	K548-K550 PolarHBondContact O-N 3.07Å; K550-C552 PolarHBondContact O-N 2.88Å
551	K	31.5	Very low	33.1	Very low	198 Å²	198	174.5 Å²	174.5	86%	0.861	84%	0.837	S	S	*	*			trans	-74.6	101.4	175.8	-75.6	178.8	177.4	172.9	0	110.4	K549 K553	K549-K551 PolarHBondContact O-N 2.78Å; K551-K553 PolarHBondContact O-N 3.48Å
552	C	28.1	Very low	33.4	Very low	110 Å²	110	177.8 Å²	177.8	74%	0.743	84%	0.842	S	S	*	*			trans	-76	108.4	161.4	-164.8	0	0	0	0	109.4	K550	K550-C552 PolarHBondContact O-N 2.88Å
553	K	34.6	Very low	33.6	Very low	181 Å²	181	181.8 Å²	181.8	79%	0.787	85%	0.847	S	S	*	*			trans	-79.7	155	159.7	-76.2	-177	173.7	-178	0	107.8	K551	K551-K553 PolarHBondContact O-N 3.48Å
554	I	40.7	Very low	33.8	Very low	167 Å²	167	181.3 Å²	181.3	86%	0.856	84%	0.844	S	S	*	*	S	Bend	trans	76	67.7	-176.8	-42.3	170.7	0	0	0	113.9
555	C	35.6	Very low	33.8	Very low	115 Å²	115	179.7 Å²	179.7	78%	0.777	85%	0.845	S	S	*	*			trans	-142.6	-24.7	155	-83.6	0	0	0	0	113.7	L557	C555-L557 VanDerWaalsContact C-N 3.35Å; C555-L557 PolarHBondContact O-N 3.26Å
556	K	32.8	Very low	33.6	Very low	214 Å²	214	179.2 Å²	179.2	93%	0.93	85%	0.848	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	67.6	180	-70.8	-165.3	176.2	-170.1	0	113.3
557	L	36	Very low	33.6	Very low	163 Å²	163	179.6 Å²	179.6	85%	0.853	85%	0.849	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.5	16.9	171.5	-121	148.8	0	0	0	117.1	C555	C555-L557 VanDerWaalsContact C-N 3.35Å; C555-L557 PolarHBondContact O-N 3.26Å
558	R	35.3	Very low	33.2	Very low	246 Å²	246	180.9 Å²	180.9	93%	0.928	86%	0.855	S	S	*	*	S	Bend	trans	-126.2	5.3	173.8	-80.5	-170.6	171.1	-174.3	-2.5	116.5
559	S	36.3	Very low	33.2	Very low	121 Å²	121	180.1 Å²	180.1	85%	0.846	86%	0.857	S	S	*	*	S	Bend	trans	-112.7	15.5	-177.2	-149.7	0	0	0	0	115.1
560	F	34	Very low	33	Very low	180 Å²	180	175.6 Å²	175.6	79%	0.789	85%	0.848	S	S	*	*	S	Bend	trans	-107.8	-28.4	-178.4	-155.1	-105.8	0	0	0	114
561	F	34	Very low	32.9	Very low	194 Å²	194	172.7 Å²	172.7	85%	0.851	84%	0.843	S	S	*	*	S	Bend	trans	-96.6	5.9	-173.2	-83.9	-77.7	0	0	0	115.9
562	R	32.8	Very low	32.9	Very low	243 Å²	243	174.5 Å²	174.5	92%	0.917	85%	0.845	S	S	*	*	S	Bend	trans	-106.3	25.8	-178.5	-151.7	-176.1	175.1	-162.1	-3.1	114.1
563	K	35.1	Very low	33.3	Very low	204 Å²	204	181 Å²	181	89%	0.887	87%	0.869	S	S	*	*	S	Bend	trans	-135.9	22.4	179.7	-129.7	179.8	-174.8	-176.1	0	114.6
564	L	34.5	Very low	33.2	Very low	155 Å²	155	181 Å²	181	81%	0.812	87%	0.873	S	S	*	*	S	Bend	trans	-145	56.1	-178.4	-146.7	134.6	0	0	0	112.3
565	N	31.6	Very low	32.8	Very low	157 Å²	157	181.7 Å²	181.7	84%	0.84	87%	0.874	S	S	*	*	S	Bend	trans	-174.3	98.6	154.6	-103.6	-15.5	0	0	0	110.9
566	T	30.2	Very low	32.7	Very low	151 Å²	151	185.4 Å²	185.4	93%	0.926	88%	0.88	S	S	*	*			trans	169	64.5	146.1	38.2	0	0	0	0	110.6
567	R	30.6	Very low	32.7	Very low	240 Å²	240	183.8 Å²	183.8	91%	0.906	88%	0.877	S	S	*	*	S	Bend	trans	-156.5	72.8	162.4	-156.5	-179.1	-163.9	-162.9	4.8	112.8
568	L	28.5	Very low	32.5	Very low	168 Å²	168	185.1 Å²	185.1	88%	0.88	88%	0.878	S	S	*	*			trans	179.8	159.4	158.1	-98.6	158.4	0	0	0	107.6
569	M	29.8	Very low	32.3	Very low	183 Å²	183	181 Å²	181	90%	0.901	88%	0.875	S	S	*	*			trans	73	83.6	-157.7	-53.4	-60	-179.9	0	0	112
570	S	30	Very low	32	Very low	89 Å²	89	185.3 Å²	185.3	62%	0.622	88%	0.877	S	S	*	*			cis	91.6	102.7	31	-161.7	0	0	0	0	114.7
571	N	29	Very low	31.9	Very low	148 Å²	148	185.7 Å²	185.7	79%	0.791	88%	0.883	S	S	*	*			trans	65.8	147.6	143.7	-66.1	-16.6	0	0	0	122.6
572	R	31.1	Very low	31.7	Very low	236 Å²	236	185 Å²	185	89%	0.891	89%	0.886	S	S	*	*			trans	86.7	121.3	156.8	-75.3	176	176	177.7	-2.3	119.6
573	I	36.9	Very low	31.6	Very low	246 Å²	246	179.7 Å²	179.7	100%	1.262	88%	0.883	S	S	*	*			trans	70.6	0	161.3	-53.1	172	0	0	0	113.5

Retrieved 573 of 573 residues in 217.9 ms (Link to these results)

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