A0A096NK30_PAPAN Loading...

Adenylosuccinate synthetase isozyme 1

Component of the purine nucleotide cycle (PNC), which interconverts IMP and AMP to regulate the nucleotide levels in various tissues, and which contributes to glycolysis and ammoniagenesis. Catalyzes the first commited step in the biosynthesis of AMP from IMP. Component of the purine nucleotide cycle (PNC), which interconverts IMP and AMP to regulate the nucleotide levels in various tissues, and which contributes to glycolysis and ammoniagenesis. Catalyzes the first committed step in the biosynthesis of AMP from IMP. Plays an important role in the de novo pathway of purine nucleotide biosynthesis.

AlphaFold DB (A0A2K5NL99), UniProt , Accession A0A096NK30, Species PAPAN (Papio anubis, Olive baboon), Gene ADSSL1, Length 457 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.2	Very low	39.2	Very low	246 Å²	246	153.6 Å²	153.6	100%	1.212	87%	0.866	S	S	*	*				0	109.2	0	-72.8	-177.6	-169.6	0	0	108.3
2	S	35.3	Very low	39.9	Very low	119 Å²	119	151.7 Å²	151.7	83%	0.832	86%	0.864	S	S	*	*			trans	-176.7	100.5	154.1	53.4	0	0	0	0	107.5
3	G	34.8	Very low	40.4	Very low	83 Å²	83	144.8 Å²	144.8	86%	0.856	85%	0.847	S	S	*	*			trans	-77.8	136	176.7	0	0	0	0	0	111.4
4	T	37	Very low	41.1	Very low	147 Å²	147	140.1 Å²	140.1	90%	0.902	83%	0.833	S	S	*	*			trans	-92.4	113.7	170.7	-2.7	0	0	0	0	108.7
5	R	38.8	Very low	41.3	Very low	250 Å²	250	134.4 Å²	134.4	94%	0.943	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-75.2	122.1	168.3	-81.8	179.6	173.5	179.3	-2.1	108.9
6	A	37.9	Very low	41.5	Very low	103 Å²	103	129.4 Å²	129.4	85%	0.851	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-81.7	119.2	164.3	0	0	0	0	0	109.1
7	S	36.8	Very low	42.1	Very low	106 Å²	106	128.6 Å²	128.6	74%	0.741	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-77.8	119.4	171.9	49.2	0	0	0	0	110.2	D9	S7-D9 PolarHBondContact O-N 3.35Å
8	N	41.8	Very low	42.7	Very low	153 Å²	153	130.3 Å²	130.3	82%	0.818	79%	0.788	S	S	*	*			trans	-85.1	87.4	170.4	-113.3	-11.7	0	0	0	108.8
9	D	37.8	Very low	43.2	Very low	149 Å²	149	133.2 Å²	133.2	80%	0.797	78%	0.783	S	S	*	*			trans	-100.3	96	166	-84.1	-27.9	0	0	0	109.2	S7	S7-D9 PolarHBondContact O-N 3.35Å
10	R	42.8	Very low	43.4	Very low	220 Å²	220	128 Å²	128	83%	0.83	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-83	132.1	159.8	-73.4	-174.2	-166.8	-178.3	4.2	107.9
11	P	43.3	Very low	43.9	Very low	114 Å²	114	129.8 Å²	129.8	74%	0.74	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-64.6	147.1	174.3	27.3	-33.3	0	0	0	110.4	G13	P11-G13 PolarHBondContact O-N 3.38Å
12	P	47.7	Very low	44.4	Very low	130 Å²	130	123.4 Å²	123.4	84%	0.844	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-60.8	132.9	177.3	-14.7	27	0	0	0	110.2	A14	P12-A14 PolarHBondContact O-N 3.24Å
13	G	45.7	Very low	45.2	Very low	62 Å²	62	123.9 Å²	123.9	64%	0.639	71%	0.712	S	S	*	*	P	Polyproline II helix	trans	-57.3	122.3	-175.7	0	0	0	0	0	113	P11 G15 G16	P11-G13 PolarHBondContact O-N 3.38Å; G13-G15 PolarHBondContact O-N 3.31Å; G13-G16 PolarHBondContact O-N 2.91Å
14	A	50.3	Low	46.1	Very low	79 Å²	79	126.9 Å²	126.9	65%	0.653	70%	0.704	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-6	175.6	0	0	0	0	0	114.9	P12	P12-A14 PolarHBondContact O-N 3.24Å
15	G	44.5	Very low	47.1	Very low	55 Å²	55	124.1 Å²	124.1	57%	0.567	68%	0.681	S	S	*	*	H	α-helix	trans	-75.6	-28.4	177.3	0	0	0	0	0	114.8	G13 R19	G13-G15 PolarHBondContact O-N 3.31Å; G15-R19 PolarHBondContact O-N 3.1Å
16	G	45.1	Very low	48.2	Very low	54 Å²	54	115.2 Å²	115.2	56%	0.557	66%	0.661	S	S	*	*	H	α-helix	trans	-74.3	-40.5	-177.7	0	0	0	0	0	113.6	G13 R19 G20	G13-G16 PolarHBondContact O-N 2.91Å; G16-R19 PolarHBondContact O-N 3.07Å; G16-G20 PolarHBondContact O-N 3.45Å; G16-G20 VanDerWaalsContact O-N 3.07Å
17	V	51.6	Low	49.4	Very low	116 Å²	116	114.2 Å²	114.2	70%	0.703	65%	0.653	S	S	*	*	H	α-helix	trans	-71	-39.9	-176.6	-177.4	0	0	0	0	111.8	R21	V17-R21 WeakPolarHBondContact O-CB 3.42Å; V17-R21 PolarHBondContact O-N 3.47Å; V17-R21 VanDerWaalsContact O-N 3.1Å
18	K	51.9	Low	51	Low	159 Å²	159	112.8 Å²	112.8	69%	0.691	65%	0.647	S	S	*	*	H	α-helix	trans	-65.2	-39.3	175.4	-79	-173.3	175.3	-176.4	0	112.3	R21 L22	K18-R21 PolarHBondContact O-N 3.04Å; K18-L22 WeakPolarHBondContact O-CG 3.28Å; K18-L22 PolarHBondContact O-N 3.11Å
19	R	52.2	Low	52.6	Low	185 Å²	185	107.4 Å²	107.4	70%	0.698	62%	0.62	S	S	*	*	H	α-helix	trans	-71.9	-38.7	-178.7	-152.4	174.3	-173.3	-178.8	1	112.1	G15 G16 Q23	G15-R19 PolarHBondContact O-N 3.1Å; G16-R19 PolarHBondContact O-N 3.07Å; R19-Q23 WeakPolarHBondContact O-CB 3.48Å; R19-Q23 WeakPolarHBondContact O-CG 3.49Å; R19-Q23 PolarHBondContact O-N 3.5Å
20	G	47.8	Very low	55	Low	30 Å²	30	101.7 Å²	101.7	31%	0.309	60%	0.596	S	S	.	*	H	α-helix	trans	-65.2	-39.4	173.2	0	0	0	0	0	113.1	G16 Q23 Q24	G16-G20 PolarHBondContact O-N 3.45Å; G16-G20 VanDerWaalsContact O-N 3.07Å; G20-Q23 PolarHBondContact O-N 2.93Å; G20-Q24 WeakPolarHBondContact O-CB 3.43Å; G20-Q24 WeakPolarHBondContact O-CG 3.45Å; G20-Q24 PolarHBondContact O-N 3.44Å
21	R	53.7	Low	57.3	Low	165 Å²	165	92.1 Å²	92.1	62%	0.623	56%	0.563	S	S	*	*	H	α-helix	trans	-67.9	-43.2	176.4	-172	174.2	173.8	162.3	2.8	112.7	V17 K18 Q23 Q24 E25	V17-R21 WeakPolarHBondContact O-CB 3.42Å; V17-R21 PolarHBondContact O-N 3.47Å; V17-R21 VanDerWaalsContact O-N 3.1Å; K18-R21 PolarHBondContact O-N 3.04Å; R21-Q23 VanDerWaalsContact C-N 3.33Å; R21-Q23 PolarHBondContact O-N 2.94Å; R21-Q24 PolarHBondContact O-N 2.85Å; R21-E25 WeakPolarHBondContact CG-OE1 3.43Å; R21-E25 IonicContact NE-OE1 3.11Å; R21-E25 PolarHBondContact NE-OE1 3.04Å; R21-E25 VanDerWaalsContact NE-OE1 3.11Å; R21-E25 WeakPolarHBondContact O-CB 3.3Å; R21-E25 VanDerWaalsContact O-CG 3.3Å; R21-E25 WeakPolarHBondContact O-CG 3.32Å; R21-E25 PolarHBondContact O-N 2.94Å
22	L	54.8	Low	59.9	Low	112 Å²	112	93.7 Å²	93.7	59%	0.586	55%	0.554	S	S	*	*	H	α-helix	trans	-64.2	-36.3	174.6	-73.5	167.1	0	0	0	112.5	K18 A26	K18-L22 WeakPolarHBondContact O-CG 3.28Å; K18-L22 PolarHBondContact O-N 3.11Å; L22-A26 WeakPolarHBondContact O-CB 3.33Å; L22-A26 PolarHBondContact O-N 3.28Å
23	Q	52.7	Low	62.3	Low	130 Å²	130	87.5 Å²	87.5	61%	0.607	51%	0.514	S	S	*	.	H	α-helix	trans	-70.9	-36.3	174.5	-79.1	177.5	-20.4	0	0	112.6	R19 G20 R21 A27	R19-Q23 WeakPolarHBondContact O-CB 3.48Å; R19-Q23 WeakPolarHBondContact O-CG 3.49Å; R19-Q23 PolarHBondContact O-N 3.5Å; G20-Q23 PolarHBondContact O-N 2.93Å; R21-Q23 VanDerWaalsContact C-N 3.33Å; R21-Q23 PolarHBondContact O-N 2.94Å; Q23-A27 VanDerWaalsContact O-CB 3.28Å; Q23-A27 WeakPolarHBondContact O-CB 3.3Å; Q23-A27 PolarHBondContact O-N 3.46Å
24	Q	54.2	Low	64.8	Low	145 Å²	145	86.2 Å²	86.2	68%	0.678	49%	0.494	S	S	*	.	H	α-helix	trans	-66.2	-41.7	171.2	-81.9	179	-17.1	0	0	112.2	G20 R21 A27 A28	G20-Q24 WeakPolarHBondContact O-CB 3.43Å; G20-Q24 WeakPolarHBondContact O-CG 3.45Å; G20-Q24 PolarHBondContact O-N 3.44Å; R21-Q24 PolarHBondContact O-N 2.85Å; Q24-A27 PolarHBondContact O-N 2.91Å; Q24-A28 VanDerWaalsContact O-CB 3.3Å; Q24-A28 WeakPolarHBondContact O-CB 3.4Å; Q24-A28 PolarHBondContact O-N 3.39Å
25	E	58.3	Low	67.1	Low	89 Å²	89	82.5 Å²	82.5	42%	0.416	46%	0.463	S	S	.	.	H	α-helix	trans	-65.7	-39.7	177.2	-75.1	168.7	-176.1	0	0	111.5	R21 A28 T29	R21-E25 WeakPolarHBondContact CG-OE1 3.43Å; R21-E25 IonicContact NE-OE1 3.11Å; R21-E25 PolarHBondContact NE-OE1 3.04Å; R21-E25 VanDerWaalsContact NE-OE1 3.11Å; R21-E25 WeakPolarHBondContact O-CB 3.3Å; R21-E25 VanDerWaalsContact O-CG 3.3Å; R21-E25 WeakPolarHBondContact O-CG 3.32Å; R21-E25 PolarHBondContact O-N 2.94Å; E25-A28 PolarHBondContact O-N 3.3Å; E25-T29 PolarHBondContact O-N 3.44Å; E25-T29 PolarHBondContact O-OG1 3.42Å
26	A	61.2	Low	69.7	Low	64 Å²	64	79.9 Å²	79.9	53%	0.529	44%	0.436	S	S	.	.	H	α-helix	trans	-68.2	-41	173.8	0	0	0	0	0	112.6	L22 A28 T29	L22-A26 WeakPolarHBondContact O-CB 3.33Å; L22-A26 PolarHBondContact O-N 3.28Å; A26-A28 VanDerWaalsContact C-N 3.28Å; A26-A28 PolarHBondContact O-N 3.06Å; A26-T29 PolarHBondContact O-N 3.41Å
27	A	63.5	Low	72.2	Confident	82 Å²	82	77.3 Å²	77.3	68%	0.678	41%	0.409	S	S	*	.	H	α-helix	trans	-65.1	-32.7	174.9	0	0	0	0	0	112.3	Q23 Q24	Q23-A27 VanDerWaalsContact O-CB 3.28Å; Q23-A27 WeakPolarHBondContact O-CB 3.3Å; Q23-A27 PolarHBondContact O-N 3.46Å; Q24-A27 PolarHBondContact O-N 2.91Å
28	A	70.1	Confident	74.4	Confident	76 Å²	76	71.9 Å²	71.9	63%	0.628	38%	0.376	S	S	*	.	H	α-helix	trans	-76.4	-25.7	176.6	0	0	0	0	0	113.5	Q24 E25 A26	Q24-A28 VanDerWaalsContact O-CB 3.3Å; Q24-A28 WeakPolarHBondContact O-CB 3.4Å; Q24-A28 PolarHBondContact O-N 3.39Å; E25-A28 PolarHBondContact O-N 3.3Å; A26-A28 VanDerWaalsContact C-N 3.28Å; A26-A28 PolarHBondContact O-N 3.06Å
29	T	76.4	Confident	76.6	Confident	39 Å²	39	64.3 Å²	64.3	24%	0.239	34%	0.344	C	S	.	.	H	α-helix	trans	-75.9	-27.1	-179.4	-56.2	0	0	0	0	112.2	E25 A26 Q289 N290	E25-T29 PolarHBondContact O-N 3.44Å; E25-T29 PolarHBondContact O-OG1 3.42Å; A26-T29 PolarHBondContact O-N 3.41Å; T29-Q289 HydrophobicContact CG2-CB 3.97Å; T29-Q289 HydrophobicContact CG2-CG 3.88Å; T29-Q289 WeakPolarHBondContact CG2-O 3.49Å; T29-N290 PolarHBondContact O-ND2 2.72Å
30	G	87.1	Confident	78.8	Confident	29 Å²	29	55.6 Å²	55.6	30%	0.299	31%	0.311	S	S	.	.			trans	76.4	-165.7	-174.4	0	0	0	0	0	113.2	L243	G30-L243 CarbonylContact C-O 3.53Å; G30-L243 WeakPolarHBondContact CA-O 3.45Å
31	S	92.4	Very high	81.1	Confident	19 Å²	19	54.4 Å²	54.4	13%	0.133	30%	0.297	C	S	.	.			trans	-61.5	148.9	177	-53.8	0	0	0	0	110.9	L243 K248 N290	S31-L243 PolarHBondContact N-O 2.66Å; S31-L243 VanDerWaalsContact O-CD2 3.23Å; S31-L243 WeakPolarHBondContact O-CD2 3.41Å; S31-L243 PolarHBondContact OG-O 2.69Å; S31-K248 PolarHBondContact OG-N 3.38Å; S31-N290 PolarHBondContact O-ND2 3.06Å
32	R	96.4	Very high	83	Confident	147 Å²	147	46.8 Å²	46.8	56%	0.555	27%	0.27	S	S	*	.			trans	-107.4	143.2	171.7	-62.6	178.6	82.2	-171.3	3.8	109.8	Q289 N290 I291	R32-Q289 PolarHBondContact NE-O 2.93Å; R32-N290 CarbonylContact C-O 3.57Å; R32-N290 WeakPolarHBondContact CA-O 3.21Å; R32-I291 PolarHBondContact NE-O 3.34Å; R32-I291 PolarHBondContact NH2-O 3.48Å
33	V	97.9	Very high	84.6	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	142.5	178.4	-50.5	0	0	0	0	110.7	V35 L243 I250 V252 V280 I286 N290 I291 G292	V33-V35 HydrophobicContact CG2-CG2 4.04Å; V33-L243 HydrophobicContact CG1-CD2 3.74Å; V33-I250 WeakPolarHBondContact CA-O 3.37Å; V33-I250 HydrophobicContact CB-CB 4.32Å; V33-I250 HydrophobicContact CB-CG2 4.18Å; V33-I250 HydrophobicContact CG1-CB 3.92Å; V33-I250 HydrophobicContact CG1-CD1 4.29Å; V33-I250 HydrophobicContact CG1-CG2 3.71Å; V33-V252 HydrophobicContact CB-CG2 3.97Å; V33-V252 HydrophobicContact CG2-CG2 3.95Å; V33-V280 HydrophobicContact CG2-CG1 4.27Å; V33-I286 HydrophobicContact CG1-CD1 3.9Å; V33-I286 HydrophobicContact CG2-CD1 3.75Å; V33-N290 PolarHBondContact N-O 2.97Å; V33-I291 HydrophobicContact CG2-CG1 4.21Å; V33-G292 WeakPolarHBondContact O-CA 3.32Å; V33-G292 PolarHBondContact O-N 2.93Å
34	T	98.7	Very high	86.6	Confident	36 Å²	36	38 Å²	38	22%	0.221	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.8	170.2	-63.1	0	0	0	0	109	L53 I250 L251 V252 D293 Y295	T34-L53 HydrophobicContact CG2-CD1 4.35Å; T34-I250 PolarHBondContact N-O 2.79Å; T34-L251 HydrophobicContact CG2-CD1 4.12Å; T34-L251 CarbonylContact O-C 3.3Å; T34-L251 WeakPolarHBondContact O-CA 3.22Å; T34-V252 PolarHBondContact O-N 3.39Å; T34-D293 CarbonylContact C-O 3.57Å; T34-D293 WeakPolarHBondContact CA-O 3.42Å; T34-D293 HydrophobicContact CG2-CB 4.17Å; T34-Y295 HydrophobicContact CG2-CD2 3.86Å; T34-Y295 HydrophobicContact CG2-CE2 3.42Å; T34-Y295 VanDerWaalsContact CG2-CE2 3.42Å
35	V	98.7	Very high	88.3	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	136.4	-174	-169	0	0	0	0	110.4	V33 L37 V252 V280 I291 D293 V294 Y295	V33-V35 HydrophobicContact CG2-CG2 4.04Å; V35-L37 HydrophobicContact CG1-CD1 4.18Å; V35-L37 HydrophobicContact CG1-CD2 3.68Å; V35-L37 HydrophobicContact CG1-CG 3.68Å; V35-V252 HydrophobicContact CB-CB 4.48Å; V35-V252 HydrophobicContact CG1-CB 4.27Å; V35-V252 HydrophobicContact CG1-CG1 4.48Å; V35-V252 HydrophobicContact CG2-CB 4.27Å; V35-V252 HydrophobicContact CG2-CG2 4.42Å; V35-V280 HydrophobicContact CG1-CG2 3.62Å; V35-V280 HydrophobicContact CG2-CG1 4.27Å; V35-V280 HydrophobicContact CG2-CG2 4.1Å; V35-I291 HydrophobicContact CG2-CG2 4.19Å; V35-D293 PolarHBondContact N-O 3.35Å; V35-V294 HydrophobicContact CB-CG1 4.32Å; V35-V294 HydrophobicContact CB-CG2 4.37Å; V35-V294 HydrophobicContact CG2-CG2 4.41Å; V35-Y295 PolarHBondContact O-N 2.92Å
36	V	98.4	Very high	89.9	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	116.3	171.8	-177.6	0	0	0	0	109.6	K46 V49 V50 L53 L251 V252 G254 Y295 V297	V36-K46 HydrophobicContact CG1-CB 4.34Å; V36-K46 HydrophobicContact CG1-CG 4.33Å; V36-V49 HydrophobicContact CG1-CB 4.15Å; V36-V49 HydrophobicContact CG1-CG1 4.06Å; V36-V49 HydrophobicContact CG2-CG1 4.09Å; V36-V50 HydrophobicContact CB-CG2 3.91Å; V36-V50 HydrophobicContact CG1-CG2 3.94Å; V36-V50 HydrophobicContact CG2-CG2 4.12Å; V36-L53 HydrophobicContact CG2-CD1 3.76Å; V36-L251 HydrophobicContact CG2-CD1 3.95Å; V36-V252 PolarHBondContact N-O 2.88Å; V36-G254 WeakPolarHBondContact O-CA 3.25Å; V36-G254 PolarHBondContact O-N 3.48Å; V36-Y295 HydrophobicContact CG2-CD2 4.44Å; V36-V297 HydrophobicContact CG1-CG2 3.45Å; V36-V297 VanDerWaalsContact CG1-CG2 3.45Å
37	L	98.4	Very high	91.2	Very high	1 Å²	1	26.6 Å²	26.6	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	154.3	-177	-59	178.1	0	0	0	111.8	V35 V277 V294 Y295 V297 N354 F356	V35-L37 HydrophobicContact CG1-CD1 4.18Å; V35-L37 HydrophobicContact CG1-CD2 3.68Å; V35-L37 HydrophobicContact CG1-CG 3.68Å; L37-V277 HydrophobicContact CD1-CB 4.01Å; L37-V294 HydrophobicContact CD1-CG1 3.91Å; L37-V294 HydrophobicContact CG-CG1 4.46Å; L37-Y295 PolarHBondContact N-O 3.22Å; L37-V297 PolarHBondContact O-N 3.33Å; L37-N354 HydrophobicContact CD1-CB 4.27Å; L37-N354 WeakPolarHBondContact CD1-OD1 3.31Å; L37-F356 HydrophobicContact CB-CE1 4.17Å
38	G	98.1	Very high	92.3	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.01	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	129.9	177.8	0	0	0	0	0	109	A257 A258	G38-A257 CarbonylContact O-C 3.52Å; G38-A257 WeakPolarHBondContact O-CA 3.27Å; G38-A258 PolarHBondContact O-N 2.87Å
39	A	98.4	Very high	93.4	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	-92.1	-3	-174.3	0	0	0	0	0	113.9	V297 V298 L347 A350 F356	A39-V297 WeakPolarHBondContact CB-O 3.49Å; A39-V297 PolarHBondContact N-O 3.23Å; A39-V298 HydrophobicContact CB-CB 4.33Å; A39-L347 HydrophobicContact CB-CD1 3.59Å; A39-A350 HydrophobicContact CB-CB 4.41Å; A39-A350 WeakPolarHBondContact O-CB 3.2Å; A39-F356 HydrophobicContact CB-CE2 3.95Å; A39-F356 HydrophobicContact CB-CZ 4.03Å
40	Q	98.4	Very high	94.2	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.009	11%	0.109	C	C	.	.	S	Bend	trans	-127.2	-131	-174.5	-62.8	165.2	-56.9	0	0	110.5	E44 A257 L259 K299 Y301 I346	Q40-E44 WeakPolarHBondContact CA-OE1 3.4Å; Q40-E44 HydrophobicContact CB-CG 4.17Å; Q40-E44 PolarHBondContact N-OE1 3.49Å; Q40-A257 WeakPolarHBondContact O-CB 3.1Å; Q40-L259 VanDerWaalsContact O-CB 3.27Å; Q40-L259 WeakPolarHBondContact O-CB 3.49Å; Q40-L259 WeakPolarHBondContact O-CG 3.3Å; Q40-L259 PolarHBondContact O-N 2.79Å; Q40-K299 PolarHBondContact NE2-O 3.05Å; Q40-Y301 PolarHBondContact NE2-O 2.85Å; Q40-I346 HydrophobicContact CB-CD1 4.5Å; Q40-I346 HydrophobicContact CG-CD1 4.16Å
41	W	96.4	Very high	94.4	Very high	6 Å²	6	19.2 Å²	19.2	2%	0.023	10%	0.099	C	C	.	.	S	Bend	trans	-104.9	24.6	178.9	-78.5	-76.2	0	0	0	113.4	L259 L260 T266 T302 R304 I346 F389	W41-L259 HydrophobicContact CD2-CB 3.9Å; W41-L259 HydrophobicContact CD2-CD1 3.56Å; W41-L259 HydrophobicContact CD2-CG 4.4Å; W41-L259 HydrophobicContact CE3-CD1 3.65Å; W41-L259 HydrophobicContact CG-CB 3.87Å; W41-L259 HydrophobicContact CG-CD1 4.27Å; W41-L259 HydrophobicContact CH2-CD1 3.66Å; W41-L259 HydrophobicContact CZ2-CB 4.15Å; W41-L259 HydrophobicContact CZ2-CD1 3.56Å; W41-L259 HydrophobicContact CZ2-CG 4.37Å; W41-L259 HydrophobicContact CZ3-CD1 3.7Å; W41-L259 VanDerWaalsContact NE1-CB 3.28Å; W41-L259 PolarHBondContact NE1-O 3.37Å; W41-L260 VanDerWaalsContact O-CD1 3.3Å; W41-L260 WeakPolarHBondContact O-CD1 3.37Å; W41-T266 HydrophobicContact CZ2-CG2 3.59Å; W41-T266 PolarHBondContact NE1-OG1 3.39Å; W41-T302 HydrophobicContact CE3-CG2 3.7Å; W41-T302 HydrophobicContact CZ3-CG2 3.71Å; W41-R304 HydrophobicContact CB-CB 4.39Å; W41-R304 HydrophobicContact CB-CG 4.34Å; W41-R304 HydrophobicContact CD2-CG 4.43Å; W41-R304 VanDerWaalsContact CE2-NH1 3.31Å; W41-R304 HydrophobicContact CG-CB 4.48Å; W41-R304 HydrophobicContact CG-CG 4.15Å; W41-R304 VanDerWaalsContact NE1-NH1 3.12Å; W41-I346 HydrophobicContact CE3-CD1 4.16Å; W41-I346 HydrophobicContact CH2-CD1 4.22Å; W41-I346 HydrophobicContact CH2-CG2 3.94Å; W41-I346 HydrophobicContact CZ3-CD1 3.58Å; W41-I346 HydrophobicContact CZ3-CG2 4.36Å; W41-F389 HydrophobicContact CZ2-CZ 4.47Å
42	G	92.2	Very high	94.3	Very high	5 Å²	5	20.4 Å²	20.4	5%	0.052	10%	0.104	C	C	.	.	S	Bend	trans	94.1	177.7	-178.2	0	0	0	0	0	112.7	E44	G42-E44 VanDerWaalsContact CA-CD 3.43Å; G42-E44 WeakPolarHBondContact CA-OE1 3.19Å; G42-E44 WeakPolarHBondContact CA-OE2 3.26Å; G42-E44 PolarHBondContact N-OE1 3.37Å; G42-E44 PolarHBondContact O-N 3.19Å; G42-E44 VanDerWaalsContact O-N 3.16Å
43	D	89.1	Confident	94.2	Very high	57 Å²	57	14.8 Å²	14.8	31%	0.305	9%	0.085	S	C	.	.			trans	57.2	27	-179.6	-54.9	-61.1	0	0	0	114.6	G45 K299 R337	D43-G45 PolarHBondContact O-N 3.08Å; D43-K299 PolarHBondContact O-NZ 3.37Å; D43-R337 IonicContact OD1-CZ 2.78Å; D43-R337 IonicContact OD1-NE 2.75Å; D43-R337 IonicContact OD1-NH2 3.64Å; D43-R337 PolarHBondContact OD1-NH2 2.78Å; D43-R337 WeakPolarHBondContact OD2-CD 3.31Å; D43-R337 IonicContact OD2-CZ 3.97Å; D43-R337 IonicContact OD2-NE 3.42Å; D43-R337 PolarHBondContact OD2-NE 3.15Å; D43-R337 IonicContact OD2-NH2 3.82Å
44	E	94.6	Very high	94	Very high	0 Å²	0	15 Å²	15	0%	0	9%	0.086	C	C	.	.	S	Bend	trans	-79.6	-2.5	177.5	-49.1	91.1	160.7	0	0	112.6	Q40 G42 K46 A257 V297 K299 T362	Q40-E44 WeakPolarHBondContact CA-OE1 3.4Å; Q40-E44 HydrophobicContact CB-CG 4.17Å; Q40-E44 PolarHBondContact N-OE1 3.49Å; G42-E44 VanDerWaalsContact CA-CD 3.43Å; G42-E44 WeakPolarHBondContact CA-OE1 3.19Å; G42-E44 WeakPolarHBondContact CA-OE2 3.26Å; G42-E44 PolarHBondContact N-OE1 3.37Å; G42-E44 PolarHBondContact O-N 3.19Å; G42-E44 VanDerWaalsContact O-N 3.16Å; E44-K46 IonicContact OE2-NZ 2.67Å; E44-K46 PolarHBondContact OE2-NZ 2.77Å; E44-A257 WeakPolarHBondContact OE1-CB 3.43Å; E44-V297 HydrophobicContact CB-CB 4.33Å; E44-V297 HydrophobicContact CB-CG1 3.86Å; E44-V297 WeakPolarHBondContact O-CG1 3.33Å; E44-K299 HydrophobicContact CB-CB 4.38Å; E44-T362 WeakPolarHBondContact O-CB 3.5Å; E44-T362 WeakPolarHBondContact O-CG2 3.3Å; E44-T362 PolarHBondContact O-OG1 2.98Å
45	G	89.8	Confident	93.6	Very high	25 Å²	25	17 Å²	17	26%	0.258	10%	0.099	S	C	.	.			trans	82.1	27.5	-178.4	0	0	0	0	0	114.5	D43 G47 K48	D43-G45 PolarHBondContact O-N 3.08Å; G45-G47 PolarHBondContact O-N 2.81Å; G45-G47 VanDerWaalsContact O-N 3.12Å; G45-K48 PolarHBondContact O-N 3.03Å
46	K	91.4	Very high	93.3	Very high	25 Å²	25	21 Å²	21	11%	0.109	12%	0.12	C	C	.	.	H	α-helix	trans	-47.1	-39.5	174.8	-72.8	-176.9	-68.5	-68.3	0	113.8	V36 E44 K48 V49 V50 G254 N256 V297	V36-K46 HydrophobicContact CG1-CB 4.34Å; V36-K46 HydrophobicContact CG1-CG 4.33Å; E44-K46 IonicContact OE2-NZ 2.67Å; E44-K46 PolarHBondContact OE2-NZ 2.77Å; K46-K48 PolarHBondContact O-N 3.26Å; K46-K48 VanDerWaalsContact O-N 3.08Å; K46-V49 PolarHBondContact O-N 3.22Å; K46-V50 WeakPolarHBondContact O-CG2 3.34Å; K46-V50 PolarHBondContact O-N 2.77Å; K46-G254 WeakPolarHBondContact CE-O 3.5Å; K46-N256 WeakPolarHBondContact CE-O 3.21Å; K46-N256 PolarHBondContact NZ-O 2.97Å; K46-V297 HydrophobicContact CB-CG2 4.37Å; K46-V297 HydrophobicContact CG-CB 3.75Å; K46-V297 HydrophobicContact CG-CG1 4.19Å; K46-V297 HydrophobicContact CG-CG2 3.73Å
47	G	88.1	Confident	93.2	Very high	8 Å²	8	21.3 Å²	21.3	8%	0.082	12%	0.123	C	C	.	.	H	α-helix	trans	-52.7	-32.2	179.8	0	0	0	0	0	113.6	G45 D51	G45-G47 PolarHBondContact O-N 2.81Å; G45-G47 VanDerWaalsContact O-N 3.12Å; G47-D51 WeakPolarHBondContact O-CB 3.24Å; G47-D51 PolarHBondContact O-N 2.95Å
48	K	88.1	Confident	93.2	Very high	53 Å²	53	24.7 Å²	24.7	23%	0.23	14%	0.141	C	C	.	.	H	α-helix	trans	-72.3	-39.5	176.5	-65.3	-178.1	-174.6	167.6	0	113	G45 K46 V50 D51 L52 G447 K448 M453	G45-K48 PolarHBondContact O-N 3.03Å; K46-K48 PolarHBondContact O-N 3.26Å; K46-K48 VanDerWaalsContact O-N 3.08Å; K48-V50 VanDerWaalsContact C-N 3.34Å; K48-D51 PolarHBondContact O-N 2.76Å; K48-L52 WeakPolarHBondContact O-CB 3.32Å; K48-L52 PolarHBondContact O-N 3.36Å; K48-G447 PolarHBondContact NZ-O 2.86Å; K48-K448 VanDerWaalsContact CE-O 3.3Å; K48-K448 WeakPolarHBondContact CE-O 3.37Å; K48-M453 HydrophobicContact CB-CE 3.78Å; K48-M453 HydrophobicContact CD-CE 4.18Å
49	V	93.1	Very high	93.2	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-68.4	-41	176.7	-177.4	0	0	0	0	109.5	V36 K46 L52 L53 V297 A360 W443 M453	V36-V49 HydrophobicContact CG1-CB 4.15Å; V36-V49 HydrophobicContact CG1-CG1 4.06Å; V36-V49 HydrophobicContact CG2-CG1 4.09Å; K46-V49 PolarHBondContact O-N 3.22Å; V49-L52 PolarHBondContact O-N 3.48Å; V49-L53 HydrophobicContact CG1-CD1 3.99Å; V49-L53 WeakPolarHBondContact O-CB 3.36Å; V49-L53 VanDerWaalsContact O-CG 3.29Å; V49-L53 WeakPolarHBondContact O-CG 3.01Å; V49-L53 PolarHBondContact O-N 3.39Å; V49-V297 HydrophobicContact CB-CG2 4.27Å; V49-V297 HydrophobicContact CG2-CG1 4.29Å; V49-V297 HydrophobicContact CG2-CG2 3.94Å; V49-A360 HydrophobicContact CG1-CB 4.5Å; V49-A360 HydrophobicContact CG2-CB 3.61Å; V49-W443 HydrophobicContact CG1-CE3 4.44Å; V49-W443 HydrophobicContact CG1-CZ3 4.45Å; V49-M453 HydrophobicContact CG2-CE 4.4Å
50	V	93.2	Very high	93.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	14%	0.141	C	C	.	.	H	α-helix	trans	-64.4	-45.1	175	177	0	0	0	0	110.8	V36 K46 K48 L52 L53 A54 S87 L251 E253	V36-V50 HydrophobicContact CB-CG2 3.91Å; V36-V50 HydrophobicContact CG1-CG2 3.94Å; V36-V50 HydrophobicContact CG2-CG2 4.12Å; K46-V50 WeakPolarHBondContact O-CG2 3.34Å; K46-V50 PolarHBondContact O-N 2.77Å; K48-V50 VanDerWaalsContact C-N 3.34Å; V50-L52 VanDerWaalsContact C-N 3.33Å; V50-L52 PolarHBondContact O-N 3.49Å; V50-L53 CarbonylContact O-C 3.55Å; V50-L53 PolarHBondContact O-N 3.12Å; V50-A54 WeakPolarHBondContact O-CA 3.26Å; V50-A54 WeakPolarHBondContact O-CB 3.5Å; V50-A54 PolarHBondContact O-N 3.19Å; V50-S87 VanDerWaalsContact CG1-OG 3.23Å; V50-S87 WeakPolarHBondContact CG1-OG 3.38Å; V50-L251 HydrophobicContact CG1-CD2 3.97Å; V50-E253 HydrophobicContact CG1-CB 4.28Å; V50-E253 HydrophobicContact CG1-CG 4.24Å; V50-E253 HydrophobicContact CG2-CB 4.32Å; V50-E253 HydrophobicContact CG2-CG 3.97Å
51	D	89.8	Confident	93.2	Very high	17 Å²	17	24.7 Å²	24.7	9%	0.091	14%	0.141	C	C	.	.	H	α-helix	trans	-60	-41.3	176.6	178	59.4	0	0	0	112.5	G47 K48 T55 V73 R450	G47-D51 WeakPolarHBondContact O-CB 3.24Å; G47-D51 PolarHBondContact O-N 2.95Å; K48-D51 PolarHBondContact O-N 2.76Å; D51-T55 PolarHBondContact O-OG1 2.75Å; D51-V73 HydrophobicContact CB-CG1 3.94Å; D51-V73 WeakPolarHBondContact OD1-CG1 3.35Å; D51-R450 PolarHBondContact O-NH2 3.46Å; D51-R450 IonicContact OD1-CZ 3.59Å; D51-R450 IonicContact OD1-NH2 3.66Å; D51-R450 PolarHBondContact OD1-NH2 2.94Å; D51-R450 IonicContact OD2-CZ 3.4Å; D51-R450 VanDerWaalsContact OD2-CZ 3.28Å; D51-R450 IonicContact OD2-NE 3.31Å; D51-R450 PolarHBondContact OD2-NE 3.49Å; D51-R450 IonicContact OD2-NH2 2.69Å; D51-R450 PolarHBondContact OD2-NH2 3.33Å
52	L	91.4	Very high	93.2	Very high	44 Å²	44	24.5 Å²	24.5	23%	0.23	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-51.4	174.1	179.9	65.5	0	0	0	111.2	K48 V49 V50 T55 W443 R450 M453	K48-L52 WeakPolarHBondContact O-CB 3.32Å; K48-L52 PolarHBondContact O-N 3.36Å; V49-L52 PolarHBondContact O-N 3.48Å; V50-L52 VanDerWaalsContact C-N 3.33Å; V50-L52 PolarHBondContact O-N 3.49Å; L52-T55 PolarHBondContact O-OG1 2.95Å; L52-W443 HydrophobicContact CD2-CG 4.45Å; L52-W443 HydrophobicContact CD2-CZ2 4.4Å; L52-W443 VanDerWaalsContact CD2-NE1 3.34Å; L52-R450 HydrophobicContact CD1-CG 4.16Å; L52-M453 HydrophobicContact CD2-CG 4.22Å
53	L	94	Very high	93.5	Very high	29 Å²	29	24.2 Å²	24.2	15%	0.152	14%	0.138	C	C	.	.	H	α-helix	trans	-77.3	-20	-176.7	-63.9	173.7	0	0	0	113.9	T34 V36 V49 V50 T55 L251 Y295 W443	T34-L53 HydrophobicContact CG2-CD1 4.35Å; V36-L53 HydrophobicContact CG2-CD1 3.76Å; V49-L53 HydrophobicContact CG1-CD1 3.99Å; V49-L53 WeakPolarHBondContact O-CB 3.36Å; V49-L53 VanDerWaalsContact O-CG 3.29Å; V49-L53 WeakPolarHBondContact O-CG 3.01Å; V49-L53 PolarHBondContact O-N 3.39Å; V50-L53 CarbonylContact O-C 3.55Å; V50-L53 PolarHBondContact O-N 3.12Å; L53-T55 PolarHBondContact O-N 2.84Å; L53-L251 HydrophobicContact CB-CD1 4.01Å; L53-L251 HydrophobicContact CB-CD2 3.75Å; L53-L251 HydrophobicContact CD1-CD1 4.01Å; L53-Y295 HydrophobicContact CD1-CD2 3.73Å; L53-Y295 HydrophobicContact CD1-CE2 3.8Å; L53-Y295 HydrophobicContact CD2-CE2 4.48Å; L53-W443 HydrophobicContact CD1-CH2 4.34Å; L53-W443 HydrophobicContact CD2-CH2 3.93Å; L53-W443 HydrophobicContact CD2-CZ2 3.96Å
54	A	93.1	Very high	93.8	Very high	4 Å²	4	21.8 Å²	21.8	3%	0.033	13%	0.125	C	C	.	.	H	α-helix	trans	-74.6	-15.9	180	0	0	0	0	0	112.3	V50 D56 I60 N91 L251	V50-A54 WeakPolarHBondContact O-CA 3.26Å; V50-A54 WeakPolarHBondContact O-CB 3.5Å; V50-A54 PolarHBondContact O-N 3.19Å; A54-D56 VanDerWaalsContact C-N 3.29Å; A54-D56 PolarHBondContact O-N 3.23Å; A54-I60 HydrophobicContact CB-CD1 4.36Å; A54-I60 HydrophobicContact CB-CG1 4.03Å; A54-N91 PolarHBondContact O-ND2 3.39Å; A54-L251 HydrophobicContact CB-CD2 4.14Å
55	T	90.3	Very high	93.8	Very high	80 Å²	80	21.8 Å²	21.8	49%	0.491	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-35.2	-177.7	-61.2	0	0	0	0	112	D51 L52 L53 N91 R450	D51-T55 PolarHBondContact O-OG1 2.75Å; L52-T55 PolarHBondContact O-OG1 2.95Å; L53-T55 PolarHBondContact O-N 2.84Å; T55-N91 PolarHBondContact O-ND2 2.78Å; T55-R450 PolarHBondContact OG1-NH1 2.99Å
56	D	92	Very high	93.9	Very high	82 Å²	82	20.6 Å²	20.6	44%	0.439	11%	0.112	S	C	.	.	S	Bend	trans	-114.8	8.9	-178.5	70.9	-37.9	0	0	0	113.7	A54 K249	A54-D56 VanDerWaalsContact C-N 3.29Å; A54-D56 PolarHBondContact O-N 3.23Å; D56-K249 WeakPolarHBondContact O-CD 3.24Å; D56-K249 IonicContact OD2-NZ 2.9Å; D56-K249 PolarHBondContact OD2-NZ 3.31Å
57	A	96.9	Very high	93.7	Very high	7 Å²	7	20 Å²	20	6%	0.058	11%	0.11	C	C	.	.			trans	-80.8	142	175.3	0	0	0	0	0	112	I60 A94 L251	A57-I60 HydrophobicContact CB-CD1 3.96Å; A57-I60 HydrophobicContact CB-CG1 3.9Å; A57-A94 VanDerWaalsContact O-CB 3.22Å; A57-A94 WeakPolarHBondContact O-CB 3.32Å; A57-L251 HydrophobicContact CB-CB 4.05Å
58	D	98.3	Very high	93.3	Very high	73 Å²	73	20.9 Å²	20.9	39%	0.39	11%	0.113	S	C	.	.	S	Bend	trans	-85.1	-34.6	172.6	-60.2	-63.8	0	0	0	111.4	A94 V95 K248 K249	D58-A94 WeakPolarHBondContact O-CA 3.29Å; D58-V95 PolarHBondContact O-N 2.81Å; D58-K248 HydrophobicContact CB-CB 4.24Å; D58-K248 HydrophobicContact CB-CG 4.28Å; D58-K248 VanDerWaalsContact OD2-CA 3.31Å; D58-K248 WeakPolarHBondContact OD2-CA 3.31Å; D58-K249 PolarHBondContact N-O 3.29Å; D58-K249 PolarHBondContact OD2-N 3.41Å
59	I	98.6	Very high	92.6	Very high	2 Å²	2	19.3 Å²	19.3	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	131.1	178.2	-58.1	173.2	0	0	0	109	V95 F97 F238 A242 K248 K249 I250 L251	I59-V95 CarbonylContact C-O 3.59Å; I59-V95 VanDerWaalsContact CA-O 3.24Å; I59-V95 WeakPolarHBondContact CA-O 3.28Å; I59-V95 HydrophobicContact CG1-CB 4.33Å; I59-F97 HydrophobicContact CG2-CB 4.19Å; I59-F238 HydrophobicContact CD1-CE1 4.2Å; I59-F238 HydrophobicContact CD1-CZ 3.92Å; I59-F238 HydrophobicContact CG2-CE1 4.44Å; I59-A242 HydrophobicContact CD1-CB 3.47Å; I59-A242 VanDerWaalsContact CD1-CB 3.47Å; I59-K248 HydrophobicContact CD1-CD 4.16Å; I59-K249 PolarHBondContact N-O 2.99Å; I59-I250 HydrophobicContact CB-CG1 4.2Å; I59-I250 HydrophobicContact CB-CG2 4.34Å; I59-I250 HydrophobicContact CD1-CG1 4.25Å; I59-I250 HydrophobicContact CG2-CG2 4.42Å; I59-I250 CarbonylContact O-C 3.53Å; I59-I250 WeakPolarHBondContact O-CA 3.43Å; I59-L251 PolarHBondContact O-N 2.77Å
60	I	98	Very high	91.8	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.1	170.7	-55.3	91.8	0	0	0	108.1	A54 A57 P86 A94 V95 S96 F97 L251	A54-I60 HydrophobicContact CB-CD1 4.36Å; A54-I60 HydrophobicContact CB-CG1 4.03Å; A57-I60 HydrophobicContact CB-CD1 3.96Å; A57-I60 HydrophobicContact CB-CG1 3.9Å; I60-P86 HydrophobicContact CB-CB 4.49Å; I60-P86 HydrophobicContact CG2-CB 3.97Å; I60-A94 HydrophobicContact CD1-CB 3.35Å; I60-V95 PolarHBondContact N-O 3.21Å; I60-S96 CarbonylContact O-C 3.53Å; I60-S96 VanDerWaalsContact O-CA 3.27Å; I60-S96 WeakPolarHBondContact O-CA 3.06Å; I60-F97 PolarHBondContact O-N 2.97Å; I60-L251 CarbonylContact C-O 3.44Å; I60-L251 WeakPolarHBondContact CA-O 3.49Å; I60-L251 HydrophobicContact CG1-CB 4.23Å; I60-L251 HydrophobicContact CG1-CD2 4.27Å; I60-L251 HydrophobicContact CG2-CB 4.48Å; I60-L251 HydrophobicContact CG2-CD2 4.29Å; I60-L251 HydrophobicContact CG2-CG 4.45Å
61	S	97.9	Very high	91	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	152.7	-170.9	62.9	0	0	0	0	113.5	F97 L251 E253	S61-F97 CarbonylContact C-O 3.52Å; S61-F97 WeakPolarHBondContact CA-O 3.36Å; S61-L251 PolarHBondContact N-O 3.14Å; S61-L251 PolarHBondContact OG-O 3Å; S61-E253 PolarHBondContact O-N 3Å
62	R	97.6	Very high	90.6	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.008	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	136.4	163.5	-70.2	-170.2	77	-137.9	6.6	109.3	G66 H83 L84 P86 F97 G99 V102 E253	R62-G66 PolarHBondContact NH1-O 2.94Å; R62-G66 PolarHBondContact NH2-O 3Å; R62-H83 PolarHBondContact NH1-O 3.14Å; R62-L84 WeakPolarHBondContact CD-O 3.48Å; R62-P86 HydrophobicContact CG-CB 4.21Å; R62-P86 HydrophobicContact CG-CG 4.08Å; R62-F97 PolarHBondContact N-O 3.47Å; R62-G99 WeakPolarHBondContact O-CA 3.28Å; R62-G99 PolarHBondContact O-N 3.18Å; R62-V102 HydrophobicContact CB-CG2 4.25Å; R62-E253 HydrophobicContact CG-CB 4.21Å; R62-E253 IonicContact NE-OE1 3.7Å
63	C	97.6	Very high	90.2	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.141	C	C	.	.			trans	-114.5	-14.2	-173.7	46.8	0	0	0	0	114.7	G101 V252 G283 L284	C63-G101 CarbonylContact O-C 3.55Å; C63-G101 VanDerWaalsContact O-C 3.3Å; C63-G101 WeakPolarHBondContact O-CA 3.34Å; C63-V252 HydrophobicContact CB-CG1 4.3Å; C63-V252 WeakPolarHBondContact SG-CG1 3.02Å; C63-G283 WeakPolarHBondContact O-CA 3.49Å; C63-L284 HydrophobicContact CB-CD1 4.2Å; C63-L284 HydrophobicContact CB-CD2 3.69Å; C63-L284 HydrophobicContact CB-CG 3.58Å
64	Q	96.6	Very high	89.5	Confident	6 Å²	6	25.8 Å²	25.8	3%	0.028	16%	0.159	C	C	.	.	S	Bend	trans	-149.2	177.8	179	72.3	-86.4	2.8	0	0	113	A255 N274	Q64-A255 HydrophobicContact CG-CB 4.07Å; Q64-A255 VanDerWaalsContact NE2-N 3.13Å; Q64-N274 WeakPolarHBondContact CG-O 3.34Å
65	G	94.2	Very high	88.7	Confident	0 Å²	0	27 Å²	27	0%	0	17%	0.166	C	C	.	.			trans	78.3	-154.2	176.4	0	0	0	0	0	111.9	V102 V103 Y171	G65-V102 WeakPolarHBondContact O-CA 3.42Å; G65-V103 WeakPolarHBondContact O-CG2 3.08Å; G65-V103 PolarHBondContact O-N 2.84Å; G65-Y171 PolarHBondContact N-OH 3.09Å; G65-Y171 VanDerWaalsContact N-OH 3.14Å; G65-Y171 PolarHBondContact O-OH 3.09Å
66	G	92.7	Very high	88.1	Confident	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.183	C	C	.	.			trans	-153.8	-138.3	172.6	0	0	0	0	0	110	R62 N68 L84 V103	R62-G66 PolarHBondContact NH1-O 2.94Å; R62-G66 PolarHBondContact NH2-O 3Å; G66-N68 PolarHBondContact N-OD1 2.84Å; G66-N68 PolarHBondContact O-N 3.08Å; G66-L84 VanDerWaalsContact C-CD1 3.48Å; G66-V103 WeakPolarHBondContact CA-O 3.03Å
67	N	86.4	Confident	87.5	Confident	13 Å²	13	30.3 Å²	30.3	7%	0.07	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	23.5	177.5	65.5	-16.2	0	0	0	113.5	H83 L84 K165	N67-H83 HydrophobicContact CB-CB 4.02Å; N67-L84 HydrophobicContact CB-CB 4.45Å; N67-K165 WeakPolarHBondContact OD1-CB 3.47Å
68	N	80.3	Confident	87	Confident	25 Å²	25	34.8 Å²	34.8	13%	0.134	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97	-6.5	179.3	64.8	-58.3	0	0	0	114	G66 T163 I167 N256	G66-N68 PolarHBondContact N-OD1 2.84Å; G66-N68 PolarHBondContact O-N 3.08Å; N68-T163 HydrophobicContact CB-CG2 3.95Å; N68-T163 VanDerWaalsContact CB-OG1 3.27Å; N68-T163 WeakPolarHBondContact CB-OG1 3.2Å; N68-I167 HydrophobicContact CB-CD1 4.26Å; N68-I167 HydrophobicContact CB-CG1 3.68Å; N68-N256 PolarHBondContact ND2-OD1 3.04Å
69	A	72.7	Confident	86.5	Confident	20 Å²	20	36.3 Å²	36.3	17%	0.165	22%	0.221	C	C	.	.			trans	-110	146.5	164.6	0	0	0	0	0	107	H83	A69-H83 VanDerWaalsContact O-CA 3.26Å; A69-H83 WeakPolarHBondContact O-CA 3.39Å
70	G	75.3	Confident	86	Confident	44 Å²	44	37 Å²	37	45%	0.454	22%	0.224	S	C	.	.			trans	-149.6	154	173.1	0	0	0	0	0	111.3	F82	G70-F82 CarbonylContact C-O 3.17Å; G70-F82 WeakPolarHBondContact CA-O 3.48Å
71	H	77.6	Confident	85.6	Confident	38 Å²	38	39.2 Å²	39.2	18%	0.176	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	148.5	177.1	56	-67.3	0	0	0	109.8	F82 S87 E253	H71-F82 PolarHBondContact N-O 3.36Å; H71-F82 PolarHBondContact O-N 2.83Å; H71-S87 WeakPolarHBondContact NE2-CB 3.47Å; H71-S87 PolarHBondContact NE2-OG 3.03Å; H71-E253 IonicContact CE1-OE1 3.31Å; H71-E253 PolarHBondContact CE1-OE1 2.99Å; H71-E253 IonicContact CE1-OE2 2.77Å; H71-E253 IonicContact ND1-OE1 3.76Å; H71-E253 IonicContact NE2-OE1 3.45Å; H71-E253 PolarHBondContact NE2-OE1 2.73Å; H71-E253 IonicContact NE2-OE2 2.71Å
72	T	82.2	Confident	85.3	Confident	51 Å²	51	39.2 Å²	39.2	31%	0.313	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	132.5	-178.6	-60	0	0	0	0	108.7	E79 Y80 D81	T72-E79 HydrophobicContact CG2-CG 3.13Å; T72-E79 VanDerWaalsContact CG2-OE1 3.27Å; T72-E79 WeakPolarHBondContact CG2-OE1 3.48Å; T72-Y80 CarbonylContact C-O 3.59Å; T72-Y80 VanDerWaalsContact CA-O 3.29Å; T72-Y80 WeakPolarHBondContact CA-O 3.37Å; T72-D81 PolarHBondContact OG1-OD1 2.82Å
73	V	81.6	Confident	85	Confident	6 Å²	6	42.2 Å²	42.2	4%	0.036	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.1	175.6	-173.9	0	0	0	0	109	D51 V75 Y80 F82 I90	D51-V73 HydrophobicContact CB-CG1 3.94Å; D51-V73 WeakPolarHBondContact OD1-CG1 3.35Å; V73-V75 HydrophobicContact CG1-CG2 4.01Å; V73-Y80 PolarHBondContact N-O 3.3Å; V73-Y80 PolarHBondContact O-N 2.74Å; V73-F82 HydrophobicContact CB-CE2 4.18Å; V73-F82 HydrophobicContact CG2-CD2 4.07Å; V73-F82 HydrophobicContact CG2-CE2 4.12Å; V73-I90 HydrophobicContact CB-CD1 3.83Å; V73-I90 HydrophobicContact CG1-CD1 3.67Å
74	V	80	Confident	84.9	Confident	89 Å²	89	42.2 Å²	42.2	54%	0.539	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	116.1	179.5	-176.5	0	0	0	0	109.2	K78 E79	V74-K78 VanDerWaalsContact CA-O 3.3Å; V74-K78 WeakPolarHBondContact CA-O 3.33Å; V74-E79 HydrophobicContact CG2-CB 4.46Å; V74-E79 HydrophobicContact CG2-CG 4.32Å
75	V	75.9	Confident	84.9	Confident	28 Å²	28	42 Å²	42	17%	0.17	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.8	177.6	178.6	0	0	0	0	109	V73 G77 K78 I90	V73-V75 HydrophobicContact CG1-CG2 4.01Å; V75-G77 PolarHBondContact O-N 2.8Å; V75-K78 PolarHBondContact N-O 2.86Å; V75-K78 WeakPolarHBondContact O-CB 3.45Å; V75-K78 PolarHBondContact O-N 3.5Å; V75-I90 HydrophobicContact CB-CD1 4.5Å; V75-I90 HydrophobicContact CB-CG2 4.11Å; V75-I90 HydrophobicContact CG1-CG2 4.06Å; V75-I90 HydrophobicContact CG2-CD1 3.76Å; V75-I90 HydrophobicContact CG2-CG2 3.9Å
76	D	77.4	Confident	84.9	Confident	158 Å²	158	42 Å²	42	85%	0.845	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.2	39.7	-177.3	-54.9	-36.3	0	0	0	113.4	K78	D76-K78 PolarHBondContact O-N 3.16Å
77	G	79.9	Confident	84.9	Confident	75 Å²	75	42 Å²	42	77%	0.773	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.7	2.9	-178.1	0	0	0	0	0	115.2	V75	V75-G77 PolarHBondContact O-N 2.8Å
78	K	85.3	Confident	85.1	Confident	100 Å²	100	41.5 Å²	41.5	44%	0.435	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132.7	177.4	-63.2	176.1	170.8	-166	0	111.4	V74 V75 D76 Y80 K119	V74-K78 VanDerWaalsContact CA-O 3.3Å; V74-K78 WeakPolarHBondContact CA-O 3.33Å; V75-K78 PolarHBondContact N-O 2.86Å; V75-K78 WeakPolarHBondContact O-CB 3.45Å; V75-K78 PolarHBondContact O-N 3.5Å; D76-K78 PolarHBondContact O-N 3.16Å; K78-Y80 HydrophobicContact CB-CE2 3.89Å; K78-K119 WeakPolarHBondContact CD-O 3.26Å; K78-K119 PolarHBondContact NZ-O 3.01Å; K78-K119 VanDerWaalsContact NZ-O 3.09Å
79	E	87.8	Confident	85.8	Confident	106 Å²	106	40.3 Å²	40.3	50%	0.495	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	111.8	-177.4	-171.3	173.3	155.3	0	0	111.2	T72 V74 K119	T72-E79 HydrophobicContact CG2-CG 3.13Å; T72-E79 VanDerWaalsContact CG2-OE1 3.27Å; T72-E79 WeakPolarHBondContact CG2-OE1 3.48Å; V74-E79 HydrophobicContact CG2-CB 4.46Å; V74-E79 HydrophobicContact CG2-CG 4.32Å; E79-K119 WeakPolarHBondContact O-CD 3.4Å; E79-K119 WeakPolarHBondContact O-CE 3.33Å; E79-K119 PolarHBondContact O-NZ 3.12Å
80	Y	88.9	Confident	86.6	Confident	16 Å²	16	40.8 Å²	40.8	6%	0.063	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	139.1	175.7	-60.8	-83.5	0	0	0	110.6	T72 V73 K78 F82 I90 N116 K119 L121	T72-Y80 CarbonylContact C-O 3.59Å; T72-Y80 VanDerWaalsContact CA-O 3.29Å; T72-Y80 WeakPolarHBondContact CA-O 3.37Å; V73-Y80 PolarHBondContact N-O 3.3Å; V73-Y80 PolarHBondContact O-N 2.74Å; K78-Y80 HydrophobicContact CB-CE2 3.89Å; Y80-F82 HydrophobicContact CG-CZ 4.2Å; Y80-I90 HydrophobicContact CD2-CD1 3.63Å; Y80-I90 HydrophobicContact CD2-CG1 4.18Å; Y80-I90 HydrophobicContact CE2-CD1 4.31Å; Y80-I90 HydrophobicContact CG-CD1 4.13Å; Y80-I90 HydrophobicContact CG-CG1 4.48Å; Y80-N116 WeakPolarHBondContact CA-OD1 3.41Å; Y80-N116 HydrophobicContact CD1-CB 4.09Å; Y80-K119 HydrophobicContact CD1-CB 4.13Å; Y80-K119 HydrophobicContact CE1-CB 3.77Å; Y80-L121 HydrophobicContact CD1-CB 4.31Å; Y80-L121 HydrophobicContact CE1-CB 3.92Å
81	D	89.8	Confident	87.5	Confident	47 Å²	47	40.2 Å²	40.2	25%	0.251	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	113.5	-177.7	-59.8	-62.1	0	0	0	109.4	T72 N116 K119	T72-D81 PolarHBondContact OG1-OD1 2.82Å; D81-N116 PolarHBondContact N-OD1 3.41Å; D81-N116 VanDerWaalsContact N-OD1 3.1Å; D81-N116 PolarHBondContact O-ND2 3.3Å; D81-K119 IonicContact OD2-NZ 3.76Å; D81-K119 PolarHBondContact OD2-NZ 3.26Å
82	F	91.7	Very high	88.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	143.2	-178.2	-59	-66.3	0	0	0	110.9	G70 H71 V73 Y80 L85 I89 I90 E112 L121	G70-F82 CarbonylContact C-O 3.17Å; G70-F82 WeakPolarHBondContact CA-O 3.48Å; H71-F82 PolarHBondContact N-O 3.36Å; H71-F82 PolarHBondContact O-N 2.83Å; V73-F82 HydrophobicContact CB-CE2 4.18Å; V73-F82 HydrophobicContact CG2-CD2 4.07Å; V73-F82 HydrophobicContact CG2-CE2 4.12Å; Y80-F82 HydrophobicContact CG-CZ 4.2Å; F82-L85 HydrophobicContact CD1-CB 4Å; F82-I89 HydrophobicContact CD1-CG2 4.14Å; F82-I89 HydrophobicContact CE1-CG2 3.42Å; F82-I89 VanDerWaalsContact CE1-CG2 3.42Å; F82-I89 HydrophobicContact CZ-CG2 3.83Å; F82-I90 HydrophobicContact CE2-CD1 3.66Å; F82-I90 HydrophobicContact CE2-CG1 3.9Å; F82-I90 HydrophobicContact CZ-CD1 3.88Å; F82-I90 HydrophobicContact CZ-CG1 3.62Å; F82-E112 WeakPolarHBondContact CA-OE1 3.44Å; F82-L121 HydrophobicContact CE1-CD2 4.11Å
83	H	91.9	Very high	88.9	Confident	64 Å²	64	50.1 Å²	50.1	30%	0.296	27%	0.273	S	S	.	.	S	Bend	trans	-130.8	-55.8	173.8	-62.4	74.6	0	0	0	110.8	R62 N67 A69 E112	R62-H83 PolarHBondContact NH1-O 3.14Å; N67-H83 HydrophobicContact CB-CB 4.02Å; A69-H83 VanDerWaalsContact O-CA 3.26Å; A69-H83 WeakPolarHBondContact O-CA 3.39Å; H83-E112 WeakPolarHBondContact CB-OE2 3.46Å; H83-E112 VanDerWaalsContact N-CD 3.28Å; H83-E112 PolarHBondContact N-OE1 2.91Å; H83-E112 PolarHBondContact N-OE2 2.82Å
84	L	94.6	Very high	89.7	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.005	27%	0.272	C	S	.	.	S	Bend	trans	-101.4	-38.5	179.2	-159.2	68.9	0	0	0	112.3	R62 G66 N67 I98 V102 I104 L109 E112	R62-L84 WeakPolarHBondContact CD-O 3.48Å; G66-L84 VanDerWaalsContact C-CD1 3.48Å; N67-L84 HydrophobicContact CB-CB 4.45Å; L84-I98 HydrophobicContact CG-CD1 4.3Å; L84-V102 HydrophobicContact CD1-CG1 3.7Å; L84-I104 HydrophobicContact CD2-CB 4.14Å; L84-I104 HydrophobicContact CD2-CG1 4.15Å; L84-I104 HydrophobicContact CD2-CG2 3.75Å; L84-L109 HydrophobicContact CB-CD1 4.49Å; L84-L109 HydrophobicContact CD2-CB 3.9Å; L84-L109 HydrophobicContact CD2-CD1 4.1Å; L84-L109 HydrophobicContact CD2-CG 4.38Å; L84-E112 WeakPolarHBondContact CB-OE2 3.48Å; L84-E112 PolarHBondContact N-OE1 3.45Å; L84-E112 PolarHBondContact N-OE2 3.2Å
85	L	96.2	Very high	90.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	26%	0.259	C	S	.	.	S	Bend	trans	-65.8	135.1	176.9	-64.1	172.8	0	0	0	109.5	F82 S87 I89 L109 E112 A113 L128	F82-L85 HydrophobicContact CD1-CB 4Å; L85-S87 PolarHBondContact O-N 3.01Å; L85-I89 HydrophobicContact CB-CG2 4.32Å; L85-I89 HydrophobicContact CD1-CD1 4.4Å; L85-I89 HydrophobicContact CD2-CD1 3.99Å; L85-L109 HydrophobicContact CD2-CD1 3.55Å; L85-L109 HydrophobicContact CG-CD1 4.04Å; L85-E112 WeakPolarHBondContact CB-OE1 3.45Å; L85-E112 HydrophobicContact CD1-CG 4.27Å; L85-E112 PolarHBondContact N-OE1 3.44Å; L85-A113 HydrophobicContact CD1-CB 4.13Å; L85-L128 HydrophobicContact CD2-CD1 4.13Å; L85-L128 HydrophobicContact CD2-CD2 3.67Å
86	P	95.3	Very high	91.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.251	C	S	.	.			trans	-57.9	133.5	168.4	-19.2	30.2	0	0	0	109.8	I60 R62 G88 I89	I60-P86 HydrophobicContact CB-CB 4.49Å; I60-P86 HydrophobicContact CG2-CB 3.97Å; R62-P86 HydrophobicContact CG-CB 4.21Å; R62-P86 HydrophobicContact CG-CG 4.08Å; P86-G88 PolarHBondContact O-N 3.29Å; P86-I89 VanDerWaalsContact O-CB 3.23Å; P86-I89 WeakPolarHBondContact O-CB 3.49Å; P86-I89 WeakPolarHBondContact O-CG2 3.46Å; P86-I89 PolarHBondContact O-N 3.5Å
87	S	91.8	Very high	92.7	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.014	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-62.3	-26.9	-178	37.5	0	0	0	0	114.6	V50 H71 L85 I89 I90 E253	V50-S87 VanDerWaalsContact CG1-OG 3.23Å; V50-S87 WeakPolarHBondContact CG1-OG 3.38Å; H71-S87 WeakPolarHBondContact NE2-CB 3.47Å; H71-S87 PolarHBondContact NE2-OG 3.03Å; L85-S87 PolarHBondContact O-N 3.01Å; S87-I89 PolarHBondContact O-N 3.21Å; S87-I90 PolarHBondContact O-N 3.08Å; S87-I90 VanDerWaalsContact O-N 3.13Å; S87-E253 PolarHBondContact N-OE2 3.47Å; S87-E253 PolarHBondContact OG-OE2 2.78Å
88	G	91.1	Very high	93.6	Very high	2 Å²	2	35.3 Å²	35.3	2%	0.021	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-59.8	-9.2	172.9	0	0	0	0	0	113.5	P86 I90 N91	P86-G88 PolarHBondContact O-N 3.29Å; G88-I90 PolarHBondContact O-N 3.12Å; G88-N91 WeakPolarHBondContact O-CB 3.23Å; G88-N91 PolarHBondContact O-N 2.9Å
89	I	94.8	Very high	94.2	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-60.2	-4.3	168.2	-152.7	165.7	0	0	0	112.3	F82 L85 P86 S87 N91 S96 L121 W124 R127 L128	F82-I89 HydrophobicContact CD1-CG2 4.14Å; F82-I89 HydrophobicContact CE1-CG2 3.42Å; F82-I89 VanDerWaalsContact CE1-CG2 3.42Å; F82-I89 HydrophobicContact CZ-CG2 3.83Å; L85-I89 HydrophobicContact CB-CG2 4.32Å; L85-I89 HydrophobicContact CD1-CD1 4.4Å; L85-I89 HydrophobicContact CD2-CD1 3.99Å; P86-I89 VanDerWaalsContact O-CB 3.23Å; P86-I89 WeakPolarHBondContact O-CB 3.49Å; P86-I89 WeakPolarHBondContact O-CG2 3.46Å; P86-I89 PolarHBondContact O-N 3.5Å; S87-I89 PolarHBondContact O-N 3.21Å; I89-N91 VanDerWaalsContact C-N 3.33Å; I89-S96 VanDerWaalsContact CA-OG 3.26Å; I89-S96 WeakPolarHBondContact CA-OG 3.36Å; I89-S96 VanDerWaalsContact CB-OG 3.24Å; I89-S96 WeakPolarHBondContact CB-OG 3.37Å; I89-S96 WeakPolarHBondContact CG1-OG 3.36Å; I89-S96 PolarHBondContact N-OG 3.22Å; I89-L121 HydrophobicContact CG2-CD1 4.24Å; I89-L121 HydrophobicContact CG2-CD2 3.96Å; I89-L121 VanDerWaalsContact O-CD1 3.26Å; I89-L121 WeakPolarHBondContact O-CD1 3.39Å; I89-W124 HydrophobicContact CD1-CB 3.98Å; I89-W124 HydrophobicContact CG1-CB 4.42Å; I89-R127 VanDerWaalsContact C-NH1 3.29Å; I89-R127 PolarHBondContact O-NH1 3.08Å; I89-R127 PolarHBondContact O-NH2 2.94Å; I89-L128 HydrophobicContact CD1-CB 4.46Å
90	I	90.9	Very high	94.7	Very high	30 Å²	30	26.8 Å²	26.8	15%	0.154	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-73.5	-29.7	166.4	-60	170.6	0	0	0	111.5	V73 V75 Y80 F82 S87 G88 T92 L121	V73-I90 HydrophobicContact CB-CD1 3.83Å; V73-I90 HydrophobicContact CG1-CD1 3.67Å; V75-I90 HydrophobicContact CB-CD1 4.5Å; V75-I90 HydrophobicContact CB-CG2 4.11Å; V75-I90 HydrophobicContact CG1-CG2 4.06Å; V75-I90 HydrophobicContact CG2-CD1 3.76Å; V75-I90 HydrophobicContact CG2-CG2 3.9Å; Y80-I90 HydrophobicContact CD2-CD1 3.63Å; Y80-I90 HydrophobicContact CD2-CG1 4.18Å; Y80-I90 HydrophobicContact CE2-CD1 4.31Å; Y80-I90 HydrophobicContact CG-CD1 4.13Å; Y80-I90 HydrophobicContact CG-CG1 4.48Å; F82-I90 HydrophobicContact CE2-CD1 3.66Å; F82-I90 HydrophobicContact CE2-CG1 3.9Å; F82-I90 HydrophobicContact CZ-CD1 3.88Å; F82-I90 HydrophobicContact CZ-CG1 3.62Å; S87-I90 PolarHBondContact O-N 3.08Å; S87-I90 VanDerWaalsContact O-N 3.13Å; G88-I90 PolarHBondContact O-N 3.12Å; I90-T92 PolarHBondContact O-N 2.88Å; I90-T92 VanDerWaalsContact O-N 3.14Å; I90-L121 HydrophobicContact CG1-CD1 4.42Å
91	N	93.1	Very high	95.2	Very high	31 Å²	31	26.3 Å²	26.3	17%	0.166	14%	0.137	C	C	.	.			trans	-72	108.6	176.5	-174.7	-7.1	0	0	0	110.3	A54 T55 G88 I89 K93 A94 R127	A54-N91 PolarHBondContact O-ND2 3.39Å; T55-N91 PolarHBondContact O-ND2 2.78Å; G88-N91 WeakPolarHBondContact O-CB 3.23Å; G88-N91 PolarHBondContact O-N 2.9Å; I89-N91 VanDerWaalsContact C-N 3.33Å; N91-K93 PolarHBondContact O-N 3.28Å; N91-K93 WeakPolarHBondContact OD1-CB 3.4Å; N91-K93 PolarHBondContact OD1-N 3.25Å; N91-A94 HydrophobicContact CB-CB 4Å; N91-A94 PolarHBondContact O-N 3Å; N91-R127 PolarHBondContact O-NH1 3.44Å
92	T	94.5	Very high	95.6	Very high	105 Å²	105	24.1 Å²	24.1	64%	0.644	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-15.5	-178.1	58.3	0	0	0	0	113.5	I90	I90-T92 PolarHBondContact O-N 2.88Å; I90-T92 VanDerWaalsContact O-N 3.14Å
93	K	95.8	Very high	95.9	Very high	192 Å²	192	24.1 Å²	24.1	84%	0.835	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-13.7	177.2	-60	-179.8	-178.7	176.7	0	113	N91	N91-K93 PolarHBondContact O-N 3.28Å; N91-K93 WeakPolarHBondContact OD1-CB 3.4Å; N91-K93 PolarHBondContact OD1-N 3.25Å
94	A	97.3	Very high	96.3	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.008	11%	0.111	C	C	.	.	S	Bend	trans	-102.6	154.4	-176.6	0	0	0	0	0	112.1	A57 D58 I60 N91	A57-A94 VanDerWaalsContact O-CB 3.22Å; A57-A94 WeakPolarHBondContact O-CB 3.32Å; D58-A94 WeakPolarHBondContact O-CA 3.29Å; I60-A94 HydrophobicContact CD1-CB 3.35Å; N91-A94 HydrophobicContact CB-CB 4Å; N91-A94 PolarHBondContact O-N 3Å
95	V	98.5	Very high	96.5	Very high	45 Å²	45	21.7 Å²	21.7	27%	0.273	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	131.1	172.6	177.7	0	0	0	0	109.4	D58 I59 I60 I129 F238	D58-V95 PolarHBondContact O-N 2.81Å; I59-V95 CarbonylContact C-O 3.59Å; I59-V95 VanDerWaalsContact CA-O 3.24Å; I59-V95 WeakPolarHBondContact CA-O 3.28Å; I59-V95 HydrophobicContact CG1-CB 4.33Å; I60-V95 PolarHBondContact N-O 3.21Å; V95-I129 HydrophobicContact CG1-CD1 3.63Å; V95-I129 HydrophobicContact CG1-CG1 3.95Å; V95-F238 HydrophobicContact CG1-CZ 4.04Å
96	S	98.4	Very high	96.6	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.9	170.4	-67.3	0	0	0	0	110.1	I60 I89 R127 L128 I129	I60-S96 CarbonylContact O-C 3.53Å; I60-S96 VanDerWaalsContact O-CA 3.27Å; I60-S96 WeakPolarHBondContact O-CA 3.06Å; I89-S96 VanDerWaalsContact CA-OG 3.26Å; I89-S96 WeakPolarHBondContact CA-OG 3.36Å; I89-S96 VanDerWaalsContact CB-OG 3.24Å; I89-S96 WeakPolarHBondContact CB-OG 3.37Å; I89-S96 WeakPolarHBondContact CG1-OG 3.36Å; I89-S96 PolarHBondContact N-OG 3.22Å; S96-R127 PolarHBondContact N-O 3.01Å; S96-L128 CarbonylContact O-C 3.57Å; S96-L128 WeakPolarHBondContact O-CA 3.34Å; S96-I129 PolarHBondContact O-N 3.25Å
97	F	98.8	Very high	96.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	129	-177.5	179.3	-118.9	0	0	0	112.5	I59 I60 S61 R62 I129 F238 M239 L284	I59-F97 HydrophobicContact CG2-CB 4.19Å; I60-F97 PolarHBondContact O-N 2.97Å; S61-F97 CarbonylContact C-O 3.52Å; S61-F97 WeakPolarHBondContact CA-O 3.36Å; R62-F97 PolarHBondContact N-O 3.47Å; F97-I129 CarbonylContact C-O 3.36Å; F97-I129 VanDerWaalsContact CA-O 3.32Å; F97-I129 WeakPolarHBondContact CA-O 3.44Å; F97-I129 HydrophobicContact CD2-CB 3.98Å; F97-I129 HydrophobicContact CD2-CG2 3.76Å; F97-I129 WeakPolarHBondContact CD2-O 3.32Å; F97-I129 HydrophobicContact CE2-CG2 4.03Å; F97-F238 HydrophobicContact CB-CE1 4.05Å; F97-F238 HydrophobicContact CD1-CD1 4.35Å; F97-F238 HydrophobicContact CD1-CE1 4.32Å; F97-F238 AromaticContact CD2-CD1 3.8Å; F97-F238 HydrophobicContact CD2-CD1 3.8Å; F97-F238 AromaticContact CD2-CE1 3.86Å; F97-F238 HydrophobicContact CD2-CE1 3.86Å; F97-F238 HydrophobicContact CE1-CD1 4.4Å; F97-F238 AromaticContact CE2-CD1 3.87Å; F97-F238 HydrophobicContact CE2-CD1 3.87Å; F97-F238 HydrophobicContact CE2-CE1 4.4Å; F97-F238 HydrophobicContact CG-CD1 4.06Å; F97-F238 AromaticContact CG-CE1 3.81Å; F97-F238 HydrophobicContact CG-CE1 3.81Å; F97-F238 HydrophobicContact CZ-CD1 4.18Å; F97-M239 HydrophobicContact CD1-CG 4.13Å; F97-M239 HydrophobicContact CD1-SD 3.7Å; F97-M239 HydrophobicContact CE1-CG 3.58Å; F97-M239 HydrophobicContact CE1-SD 3.8Å; F97-M239 HydrophobicContact CZ-CG 4.2Å; F97-L284 HydrophobicContact CD1-CD2 4.01Å; F97-L284 HydrophobicContact CE1-CD2 3.81Å
98	I	98.8	Very high	97	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	111.9	171.1	-61.4	179.2	0	0	0	108.5	L84 V102 I104 L128 I129 I130 S131	L84-I98 HydrophobicContact CG-CD1 4.3Å; I98-V102 HydrophobicContact CG2-CB 3.69Å; I98-V102 HydrophobicContact CG2-CG1 3.78Å; I98-V102 HydrophobicContact CG2-CG2 3.88Å; I98-I104 HydrophobicContact CG2-CD1 3.78Å; I98-I104 HydrophobicContact CG2-CG1 4.22Å; I98-L128 HydrophobicContact CD1-CD1 4.15Å; I98-L128 HydrophobicContact CG1-CD1 4.15Å; I98-I129 PolarHBondContact N-O 3.41Å; I98-I130 HydrophobicContact CB-CG1 4.4Å; I98-I130 HydrophobicContact CD1-CG1 4.32Å; I98-S131 VanDerWaalsContact O-CB 3.3Å; I98-S131 WeakPolarHBondContact O-CB 3.32Å; I98-S131 PolarHBondContact O-N 3.26Å
99	G	98.8	Very high	97.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	12%	0.122	C	C	.	.			trans	-73.5	166.5	-176.7	0	0	0	0	0	114.7	R62 G101 V102 G283	R62-G99 WeakPolarHBondContact O-CA 3.28Å; R62-G99 PolarHBondContact O-N 3.18Å; G99-G101 PolarHBondContact O-N 3.33Å; G99-V102 WeakPolarHBondContact O-CB 3.39Å; G99-V102 PolarHBondContact O-N 3.23Å; G99-V102 VanDerWaalsContact O-N 3.17Å; G99-G283 CarbonylContact C-O 3.57Å; G99-G283 WeakPolarHBondContact CA-O 3.4Å
100	N	98.8	Very high	97.4	Very high	26 Å²	26	22.9 Å²	22.9	14%	0.139	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-18.2	-178.1	62	-95.2	0	0	0	114.3	V102 S131 R133 T282 G283	N100-V102 VanDerWaalsContact C-N 3.29Å; N100-S131 WeakPolarHBondContact CB-OG 3.23Å; N100-R133 HydrophobicContact CB-CB 3.55Å; N100-T282 PolarHBondContact ND2-O 2.77Å; N100-G283 PolarHBondContact N-O 3.48Å; N100-G283 PolarHBondContact OD1-O 2.88Å; N100-G283 VanDerWaalsContact OD1-O 3.05Å
101	G	98.4	Very high	97.8	Very high	7 Å²	7	26.2 Å²	26.2	7%	0.072	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-12.6	176.2	0	0	0	0	0	113.6	C63 G99 Y171 G283	C63-G101 CarbonylContact O-C 3.55Å; C63-G101 VanDerWaalsContact O-C 3.3Å; C63-G101 WeakPolarHBondContact O-CA 3.34Å; G99-G101 PolarHBondContact O-N 3.33Å; G101-Y171 PolarHBondContact O-OH 2.94Å; G101-G283 PolarHBondContact N-O 2.9Å; G101-G283 VanDerWaalsContact N-O 3.09Å
102	V	98.7	Very high	97.9	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	13%	0.133	C	C	.	.			trans	-79.6	146.4	179.8	-177.3	0	0	0	0	111.5	R62 G65 L84 I98 G99 N100 I104 H135	R62-V102 HydrophobicContact CB-CG2 4.25Å; G65-V102 WeakPolarHBondContact O-CA 3.42Å; L84-V102 HydrophobicContact CD1-CG1 3.7Å; I98-V102 HydrophobicContact CG2-CB 3.69Å; I98-V102 HydrophobicContact CG2-CG1 3.78Å; I98-V102 HydrophobicContact CG2-CG2 3.88Å; G99-V102 WeakPolarHBondContact O-CB 3.39Å; G99-V102 PolarHBondContact O-N 3.23Å; G99-V102 VanDerWaalsContact O-N 3.17Å; N100-V102 VanDerWaalsContact C-N 3.29Å; V102-I104 HydrophobicContact CG1-CG1 4.11Å; V102-H135 PolarHBondContact O-N 2.94Å
103	V	98.7	Very high	98	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.9	166.1	-57	0	0	0	0	110	G65 G66 H135 V137 I167 T170 Y171	G65-V103 WeakPolarHBondContact O-CG2 3.08Å; G65-V103 PolarHBondContact O-N 2.84Å; G66-V103 WeakPolarHBondContact CA-O 3.03Å; V103-H135 CarbonylContact C-O 3.48Å; V103-H135 WeakPolarHBondContact CA-O 3.46Å; V103-H135 HydrophobicContact CG1-CB 4.14Å; V103-V137 HydrophobicContact CB-CG2 3.65Å; V103-V137 HydrophobicContact CG2-CG2 3.65Å; V103-I167 HydrophobicContact CG2-CD1 3.71Å; V103-I167 HydrophobicContact CG2-CG2 4.21Å; V103-T170 HydrophobicContact CB-CG2 3.9Å; V103-T170 HydrophobicContact CG1-CG2 3.77Å; V103-Y171 HydrophobicContact CB-CE2 4.42Å; V103-Y171 HydrophobicContact CG1-CD1 4.44Å; V103-Y171 HydrophobicContact CG1-CD2 3.93Å; V103-Y171 HydrophobicContact CG1-CE1 4.18Å; V103-Y171 HydrophobicContact CG1-CE2 3.62Å; V103-Y171 HydrophobicContact CG1-CG 4.33Å; V103-Y171 HydrophobicContact CG2-CD2 4.35Å; V103-Y171 HydrophobicContact CG2-CE2 3.86Å
104	I	98.7	Very high	98.1	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.2	-166.7	-60.4	178.4	0	0	0	110.3	L84 I98 V102 L106 L109 I130 A134 H135 L136 V137 I182	L84-I104 HydrophobicContact CD2-CB 4.14Å; L84-I104 HydrophobicContact CD2-CG1 4.15Å; L84-I104 HydrophobicContact CD2-CG2 3.75Å; I98-I104 HydrophobicContact CG2-CD1 3.78Å; I98-I104 HydrophobicContact CG2-CG1 4.22Å; V102-I104 HydrophobicContact CG1-CG1 4.11Å; I104-L106 HydrophobicContact CG2-CD2 3.87Å; I104-L109 HydrophobicContact CG2-CD2 4.2Å; I104-I130 HydrophobicContact CD1-CG2 3.54Å; I104-A134 HydrophobicContact CD1-CB 3.57Å; I104-A134 HydrophobicContact CG1-CB 4.16Å; I104-H135 PolarHBondContact N-O 2.96Å; I104-L136 WeakPolarHBondContact O-CA 3.42Å; I104-V137 PolarHBondContact O-N 2.91Å; I104-I182 HydrophobicContact CD1-CD1 4.25Å; I104-I182 HydrophobicContact CD1-CG1 4.25Å
105	H	98.6	Very high	98	Very high	14 Å²	14	20.2 Å²	20.2	7%	0.065	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	107.3	165.4	-175.7	-130.4	0	0	0	108.7	G108 L109 V137 D139 Q142	H105-G108 PolarHBondContact ND1-N 2.82Å; H105-G108 VanDerWaalsContact ND1-N 3.2Å; H105-G108 PolarHBondContact O-N 3.39Å; H105-G108 VanDerWaalsContact O-N 3.13Å; H105-L109 PolarHBondContact O-N 3.49Å; H105-V137 HydrophobicContact CB-CB 3.9Å; H105-V137 HydrophobicContact CB-CG1 4.22Å; H105-V137 PolarHBondContact CD2-O 3.12Å; H105-D139 IonicContact CD2-OD1 3.66Å; H105-D139 IonicContact CE1-OD1 3.41Å; H105-D139 IonicContact NE2-OD1 3.39Å; H105-D139 PolarHBondContact NE2-OD1 3.09Å; H105-Q142 PolarHBondContact CE1-NE2 3.34Å; H105-Q142 PolarHBondContact ND1-NE2 2.84Å; H105-Q142 VanDerWaalsContact ND1-NE2 3.18Å; H105-Q142 PolarHBondContact NE2-NE2 3.01Å
106	L	98.5	Very high	97.9	Very high	1 Å²	1	18.1 Å²	18.1	1%	0.005	9%	0.09	C	C	.	.	H	α-helix	trans	-59.4	-46.5	-175	-66.1	176	0	0	0	113.6	I104 G108 L109 F110 L136 I182 L185 L221 F224 I228	I104-L106 HydrophobicContact CG2-CD2 3.87Å; L106-G108 VanDerWaalsContact C-N 3.32Å; L106-G108 PolarHBondContact O-N 3.41Å; L106-L109 PolarHBondContact O-N 3.02Å; L106-F110 VanDerWaalsContact O-CD2 3.23Å; L106-F110 WeakPolarHBondContact O-CD2 3.43Å; L106-F110 PolarHBondContact O-N 2.82Å; L106-F110 VanDerWaalsContact O-N 3.17Å; L106-L136 HydrophobicContact CD1-CD2 3.69Å; L106-L136 HydrophobicContact CD2-CD2 4.21Å; L106-L136 HydrophobicContact CG-CD2 3.71Å; L106-I182 HydrophobicContact CD2-CD1 4.22Å; L106-L185 HydrophobicContact CD1-CD2 3.43Å; L106-L185 VanDerWaalsContact CD1-CD2 3.43Å; L106-L221 HydrophobicContact CD1-CD2 3.96Å; L106-F224 HydrophobicContact CB-CB 4.31Å; L106-F224 HydrophobicContact CB-CD2 3.89Å; L106-F224 HydrophobicContact CB-CE2 4.32Å; L106-F224 HydrophobicContact CB-CG 4.08Å; L106-F224 HydrophobicContact CD1-CB 3.86Å; L106-F224 HydrophobicContact CD1-CD2 4.47Å; L106-F224 HydrophobicContact CD1-CG 4.46Å; L106-I228 HydrophobicContact CD2-CD1 3.35Å
107	P	98.1	Very high	97.8	Very high	12 Å²	12	21.1 Å²	21.1	8%	0.078	10%	0.104	C	C	.	.	H	α-helix	trans	-51.2	-50.2	170.4	-29.4	35.6	0	0	0	113.4	L109 F110 E111 R220 F224	P107-L109 PolarHBondContact O-N 2.89Å; P107-F110 PolarHBondContact O-N 2.9Å; P107-E111 VanDerWaalsContact O-CB 3.31Å; P107-E111 WeakPolarHBondContact O-CB 3.36Å; P107-E111 PolarHBondContact O-N 2.85Å; P107-R220 VanDerWaalsContact CB-NH2 3.34Å; P107-F224 HydrophobicContact CB-CE2 4.49Å; P107-F224 HydrophobicContact CB-CZ 4.38Å; P107-F224 HydrophobicContact CG-CE2 3.78Å; P107-F224 HydrophobicContact CG-CZ 4.15Å
108	G	97.1	Very high	97.6	Very high	11 Å²	11	29.5 Å²	29.5	11%	0.113	14%	0.14	C	C	.	.	H	α-helix	trans	-63.9	-39.4	-177.5	0	0	0	0	0	112.9	H105 L106 E112	H105-G108 PolarHBondContact ND1-N 2.82Å; H105-G108 VanDerWaalsContact ND1-N 3.2Å; H105-G108 PolarHBondContact O-N 3.39Å; H105-G108 VanDerWaalsContact O-N 3.13Å; L106-G108 VanDerWaalsContact C-N 3.32Å; L106-G108 PolarHBondContact O-N 3.41Å; G108-E112 VanDerWaalsContact O-CB 3.25Å; G108-E112 WeakPolarHBondContact O-CB 3.46Å; G108-E112 PolarHBondContact O-N 2.85Å
109	L	97.9	Very high	97.4	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.155	C	C	.	.	H	α-helix	trans	-59.4	-51	175.7	173.6	59.2	0	0	0	111.5	L84 L85 I104 H105 L106 P107 E112 A113 I130 I228	L84-L109 HydrophobicContact CB-CD1 4.49Å; L84-L109 HydrophobicContact CD2-CB 3.9Å; L84-L109 HydrophobicContact CD2-CD1 4.1Å; L84-L109 HydrophobicContact CD2-CG 4.38Å; L85-L109 HydrophobicContact CD2-CD1 3.55Å; L85-L109 HydrophobicContact CG-CD1 4.04Å; I104-L109 HydrophobicContact CG2-CD2 4.2Å; H105-L109 PolarHBondContact O-N 3.49Å; L106-L109 PolarHBondContact O-N 3.02Å; P107-L109 PolarHBondContact O-N 2.89Å; L109-E112 PolarHBondContact O-N 2.71Å; L109-A113 WeakPolarHBondContact O-CB 3.3Å; L109-A113 PolarHBondContact O-N 2.84Å; L109-I130 HydrophobicContact CD2-CD1 3.85Å; L109-I228 HydrophobicContact CD2-CD1 4.38Å
110	F	98.1	Very high	97.1	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.018	17%	0.17	C	C	.	.	H	α-helix	trans	-71.6	-36	-178.1	-72.3	-65.3	0	0	0	112.4	L106 P107 A113 E114 W124 F224 R227 I228 M231	L106-F110 VanDerWaalsContact O-CD2 3.23Å; L106-F110 WeakPolarHBondContact O-CD2 3.43Å; L106-F110 PolarHBondContact O-N 2.82Å; L106-F110 VanDerWaalsContact O-N 3.17Å; P107-F110 PolarHBondContact O-N 2.9Å; F110-A113 PolarHBondContact O-N 2.9Å; F110-E114 WeakPolarHBondContact O-CB 3.39Å; F110-E114 VanDerWaalsContact O-CG 3.24Å; F110-E114 WeakPolarHBondContact O-CG 3.48Å; F110-E114 PolarHBondContact O-N 2.96Å; F110-W124 AromaticContact CD1-CH2 3.95Å; F110-W124 HydrophobicContact CD1-CH2 3.95Å; F110-W124 HydrophobicContact CD1-CZ2 4.47Å; F110-W124 AromaticContact CE1-CH2 3.98Å; F110-W124 HydrophobicContact CE1-CH2 3.98Å; F110-F224 HydrophobicContact CB-CE1 4.39Å; F110-F224 AromaticContact CD2-CD1 3.32Å; F110-F224 HydrophobicContact CD2-CD1 3.32Å; F110-F224 AromaticContact CD2-CE1 3.42Å; F110-F224 HydrophobicContact CD2-CE1 3.42Å; F110-F224 VanDerWaalsContact CD2-CE1 3.42Å; F110-F224 HydrophobicContact CD2-CG 4.27Å; F110-F224 HydrophobicContact CD2-CZ 4.42Å; F110-F224 HydrophobicContact CE2-CB 4.26Å; F110-F224 AromaticContact CE2-CD1 3.41Å; F110-F224 HydrophobicContact CE2-CD1 3.41Å; F110-F224 VanDerWaalsContact CE2-CD1 3.41Å; F110-F224 HydrophobicContact CE2-CE1 4.04Å; F110-F224 HydrophobicContact CE2-CG 4.13Å; F110-F224 HydrophobicContact CG-CD1 4.36Å; F110-F224 HydrophobicContact CG-CE1 4.2Å; F110-R227 HydrophobicContact CD1-CG 4.41Å; F110-R227 HydrophobicContact CE1-CB 4.37Å; F110-R227 VanDerWaalsContact CE1-CD 3.41Å; F110-R227 HydrophobicContact CE1-CG 3.6Å; F110-R227 HydrophobicContact CZ-CB 3.95Å; F110-R227 HydrophobicContact CZ-CG 3.69Å; F110-I228 HydrophobicContact CZ-CB 4.2Å; F110-M231 HydrophobicContact CE1-CE 4.13Å; F110-M231 HydrophobicContact CZ-CE 4.29Å
111	E	97.4	Very high	96.9	Very high	99 Å²	99	33.5 Å²	33.5	46%	0.463	17%	0.165	S	C	.	.	H	α-helix	trans	-62	-44.3	173.8	-173.2	-169.4	155.1	0	0	111.5	P107 K115	P107-E111 VanDerWaalsContact O-CB 3.31Å; P107-E111 WeakPolarHBondContact O-CB 3.36Å; P107-E111 PolarHBondContact O-N 2.85Å; E111-K115 HydrophobicContact CG-CD 4.24Å; E111-K115 WeakPolarHBondContact O-CB 3.39Å; E111-K115 VanDerWaalsContact O-CG 3.22Å; E111-K115 WeakPolarHBondContact O-CG 3.23Å; E111-K115 PolarHBondContact O-N 3.45Å; E111-K115 VanDerWaalsContact OE1-CE 3.31Å; E111-K115 WeakPolarHBondContact OE1-CE 3.44Å; E111-K115 IonicContact OE1-NZ 3.58Å; E111-K115 PolarHBondContact OE1-NZ 3.2Å
112	E	96.4	Very high	96.7	Very high	13 Å²	13	38.5 Å²	38.5	6%	0.061	19%	0.185	C	C	.	.	H	α-helix	trans	-60.1	-47.1	174.1	178.7	-173.9	160.3	0	0	111.4	F82 H83 L84 L85 G108 L109 K115 N116	F82-E112 WeakPolarHBondContact CA-OE1 3.44Å; H83-E112 WeakPolarHBondContact CB-OE2 3.46Å; H83-E112 VanDerWaalsContact N-CD 3.28Å; H83-E112 PolarHBondContact N-OE1 2.91Å; H83-E112 PolarHBondContact N-OE2 2.82Å; L84-E112 WeakPolarHBondContact CB-OE2 3.48Å; L84-E112 PolarHBondContact N-OE1 3.45Å; L84-E112 PolarHBondContact N-OE2 3.2Å; L85-E112 WeakPolarHBondContact CB-OE1 3.45Å; L85-E112 HydrophobicContact CD1-CG 4.27Å; L85-E112 PolarHBondContact N-OE1 3.44Å; G108-E112 VanDerWaalsContact O-CB 3.25Å; G108-E112 WeakPolarHBondContact O-CB 3.46Å; G108-E112 PolarHBondContact O-N 2.85Å; L109-E112 PolarHBondContact O-N 2.71Å; E112-K115 PolarHBondContact O-N 3.28Å; E112-N116 PolarHBondContact O-N 3.34Å; E112-N116 PolarHBondContact O-ND2 2.67Å; E112-N116 VanDerWaalsContact O-ND2 3.11Å
113	A	96.4	Very high	96.6	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.9	-47.1	-179.4	0	0	0	0	0	111.9	L85 L109 F110 K115 N116 E117 W124	L85-A113 HydrophobicContact CD1-CB 4.13Å; L109-A113 WeakPolarHBondContact O-CB 3.3Å; L109-A113 PolarHBondContact O-N 2.84Å; F110-A113 PolarHBondContact O-N 2.9Å; A113-K115 VanDerWaalsContact C-N 3.33Å; A113-K115 PolarHBondContact O-N 3.22Å; A113-N116 PolarHBondContact O-N 3.24Å; A113-E117 VanDerWaalsContact O-CB 3.29Å; A113-E117 WeakPolarHBondContact O-CB 3.43Å; A113-E117 PolarHBondContact O-N 2.85Å; A113-W124 HydrophobicContact CB-CD2 3.92Å; A113-W124 HydrophobicContact CB-CE3 4.09Å; A113-W124 HydrophobicContact CB-CH2 3.56Å; A113-W124 HydrophobicContact CB-CZ2 3.36Å; A113-W124 HydrophobicContact CB-CZ3 3.93Å
114	E	97	Very high	96.5	Very high	77 Å²	77	42.5 Å²	42.5	36%	0.36	21%	0.206	S	C	.	.	H	α-helix	trans	-63.3	-37.5	178	-73.6	169.4	-163	0	0	112.4	F110 E117 K118 R227	F110-E114 WeakPolarHBondContact O-CB 3.39Å; F110-E114 VanDerWaalsContact O-CG 3.24Å; F110-E114 WeakPolarHBondContact O-CG 3.48Å; F110-E114 PolarHBondContact O-N 2.96Å; E114-E117 PolarHBondContact O-N 2.9Å; E114-K118 WeakPolarHBondContact O-CG 3.44Å; E114-K118 PolarHBondContact O-N 3.4Å; E114-R227 IonicContact OE1-CZ 2.79Å; E114-R227 VanDerWaalsContact OE1-CZ 3.31Å; E114-R227 IonicContact OE1-NH1 3.57Å; E114-R227 PolarHBondContact OE1-NH1 3.16Å; E114-R227 IonicContact OE1-NH2 3.5Å; E114-R227 PolarHBondContact OE1-NH2 2.94Å
115	K	96.1	Very high	96.4	Very high	113 Å²	113	47.2 Å²	47.2	49%	0.491	23%	0.229	S	C	.	.	H	α-helix	trans	-61.6	-47.4	173.7	-80.5	171.4	172.5	174.4	0	111.4	E111 E112 A113	E111-K115 HydrophobicContact CG-CD 4.24Å; E111-K115 WeakPolarHBondContact O-CB 3.39Å; E111-K115 VanDerWaalsContact O-CG 3.22Å; E111-K115 WeakPolarHBondContact O-CG 3.23Å; E111-K115 PolarHBondContact O-N 3.45Å; E111-K115 VanDerWaalsContact OE1-CE 3.31Å; E111-K115 WeakPolarHBondContact OE1-CE 3.44Å; E111-K115 IonicContact OE1-NZ 3.58Å; E111-K115 PolarHBondContact OE1-NZ 3.2Å; E112-K115 PolarHBondContact O-N 3.28Å; A113-K115 VanDerWaalsContact C-N 3.33Å; A113-K115 PolarHBondContact O-N 3.22Å
116	N	95.9	Very high	96.3	Very high	2 Å²	2	54.1 Å²	54.1	1%	0.011	26%	0.258	C	S	.	.	H	α-helix	trans	-73.1	-31.2	179.7	-74.5	-50.1	0	0	0	112.6	Y80 D81 E112 A113 K118 K119 G120 L121	Y80-N116 WeakPolarHBondContact CA-OD1 3.41Å; Y80-N116 HydrophobicContact CD1-CB 4.09Å; D81-N116 PolarHBondContact N-OD1 3.41Å; D81-N116 VanDerWaalsContact N-OD1 3.1Å; D81-N116 PolarHBondContact O-ND2 3.3Å; E112-N116 PolarHBondContact O-N 3.34Å; E112-N116 PolarHBondContact O-ND2 2.67Å; E112-N116 VanDerWaalsContact O-ND2 3.11Å; A113-N116 PolarHBondContact O-N 3.24Å; N116-K118 VanDerWaalsContact C-N 3.29Å; N116-K118 PolarHBondContact O-N 3.4Å; N116-K119 WeakPolarHBondContact O-CA 3.19Å; N116-K119 WeakPolarHBondContact O-CB 3.46Å; N116-K119 PolarHBondContact O-N 2.96Å; N116-G120 PolarHBondContact O-N 2.82Å; N116-G120 VanDerWaalsContact O-N 3.14Å; N116-L121 HydrophobicContact CB-CB 4.02Å; N116-L121 HydrophobicContact CB-CD2 3.73Å; N116-L121 WeakPolarHBondContact O-CB 3.44Å; N116-L121 PolarHBondContact O-N 3.12Å; N116-L121 VanDerWaalsContact O-N 3.08Å
117	E	95.9	Very high	96.3	Very high	62 Å²	62	55 Å²	55	29%	0.29	26%	0.261	S	S	.	.	H	α-helix	trans	-64	-35.6	176.4	-170.5	-178.3	161.8	0	0	112.1	A113 E114 K119 G120 K122 W124	A113-E117 VanDerWaalsContact O-CB 3.29Å; A113-E117 WeakPolarHBondContact O-CB 3.43Å; A113-E117 PolarHBondContact O-N 2.85Å; E114-E117 PolarHBondContact O-N 2.9Å; E117-K119 PolarHBondContact O-N 2.76Å; E117-G120 PolarHBondContact O-N 2.85Å; E117-K122 HydrophobicContact CG-CD 3.87Å; E117-K122 PolarHBondContact O-NZ 3.17Å; E117-K122 IonicContact OE1-NZ 2.71Å; E117-K122 PolarHBondContact OE1-NZ 2.84Å; E117-W124 PolarHBondContact OE2-NE1 2.9Å
118	K	95.4	Very high	96.3	Very high	177 Å²	177	54.6 Å²	54.6	77%	0.77	26%	0.259	S	S	*	.	H	α-helix	trans	-64.1	-25.8	172	-71.1	170.9	-173.7	177	0	112.8	E114 N116	E114-K118 WeakPolarHBondContact O-CG 3.44Å; E114-K118 PolarHBondContact O-N 3.4Å; N116-K118 VanDerWaalsContact C-N 3.29Å; N116-K118 PolarHBondContact O-N 3.4Å
119	K	94.4	Very high	96.4	Very high	72 Å²	72	55.4 Å²	55.4	31%	0.313	26%	0.26	S	S	.	.	H	α-helix	trans	-85.1	-19.7	177.1	-58.6	-179.3	-179.8	-179.3	0	112.6	K78 E79 Y80 D81 N116 E117	K78-K119 WeakPolarHBondContact CD-O 3.26Å; K78-K119 PolarHBondContact NZ-O 3.01Å; K78-K119 VanDerWaalsContact NZ-O 3.09Å; E79-K119 WeakPolarHBondContact O-CD 3.4Å; E79-K119 WeakPolarHBondContact O-CE 3.33Å; E79-K119 PolarHBondContact O-NZ 3.12Å; Y80-K119 HydrophobicContact CD1-CB 4.13Å; Y80-K119 HydrophobicContact CE1-CB 3.77Å; D81-K119 IonicContact OD2-NZ 3.76Å; D81-K119 PolarHBondContact OD2-NZ 3.26Å; N116-K119 WeakPolarHBondContact O-CA 3.19Å; N116-K119 WeakPolarHBondContact O-CB 3.46Å; N116-K119 PolarHBondContact O-N 2.96Å; E117-K119 PolarHBondContact O-N 2.76Å
120	G	93.2	Very high	96.4	Very high	31 Å²	31	55.4 Å²	55.4	32%	0.32	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	133.9	3.1	175.9	0	0	0	0	0	115.3	N116 E117 K122	N116-G120 PolarHBondContact O-N 2.82Å; N116-G120 VanDerWaalsContact O-N 3.14Å; E117-G120 PolarHBondContact O-N 2.85Å; G120-K122 PolarHBondContact O-N 3.29Å
121	L	94.3	Very high	96.5	Very high	6 Å²	6	55.2 Å²	55.2	3%	0.031	26%	0.259	C	S	.	.			trans	-74.6	70.5	178	-169	72.4	0	0	0	111.3	Y80 F82 I89 I90 N116 W124	Y80-L121 HydrophobicContact CD1-CB 4.31Å; Y80-L121 HydrophobicContact CE1-CB 3.92Å; F82-L121 HydrophobicContact CE1-CD2 4.11Å; I89-L121 HydrophobicContact CG2-CD1 4.24Å; I89-L121 HydrophobicContact CG2-CD2 3.96Å; I89-L121 VanDerWaalsContact O-CD1 3.26Å; I89-L121 WeakPolarHBondContact O-CD1 3.39Å; I90-L121 HydrophobicContact CG1-CD1 4.42Å; N116-L121 HydrophobicContact CB-CB 4.02Å; N116-L121 HydrophobicContact CB-CD2 3.73Å; N116-L121 WeakPolarHBondContact O-CB 3.44Å; N116-L121 PolarHBondContact O-N 3.12Å; N116-L121 VanDerWaalsContact O-N 3.08Å; L121-W124 HydrophobicContact CD2-CB 4.13Å; L121-W124 HydrophobicContact CG-CB 4.12Å
122	K	94.1	Very high	96.5	Very high	112 Å²	112	51.8 Å²	51.8	49%	0.487	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	157.6	-179.8	-61	-50.6	-169.6	-173.4	0	112	E117 G120 W124	E117-K122 HydrophobicContact CG-CD 3.87Å; E117-K122 PolarHBondContact O-NZ 3.17Å; E117-K122 IonicContact OE1-NZ 2.71Å; E117-K122 PolarHBondContact OE1-NZ 2.84Å; G120-K122 PolarHBondContact O-N 3.29Å; K122-W124 PolarHBondContact O-N 2.81Å
123	D	96	Very high	96.7	Very high	84 Å²	84	55.3 Å²	55.3	45%	0.449	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.9	24.4	174.3	-61.7	-61.8	0	0	0	114.6	E125 K126	D123-E125 VanDerWaalsContact C-N 3.26Å; D123-E125 PolarHBondContact O-N 3.33Å; D123-K126 HydrophobicContact CB-CD 4.09Å; D123-K126 HydrophobicContact CB-CG 4.49Å; D123-K126 PolarHBondContact O-N 3.36Å; D123-K126 VanDerWaalsContact O-N 3.17Å; D123-K126 WeakPolarHBondContact OD1-CE 3.41Å; D123-K126 IonicContact OD1-NZ 3.67Å; D123-K126 PolarHBondContact OD1-NZ 3Å
124	W	96.9	Very high	96.8	Very high	2 Å²	2	55.3 Å²	55.3	1%	0.008	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-61.9	-36	-177.2	64.3	-92.5	0	0	0	112	I89 F110 A113 E117 L121 K122 K126 R127 L128 M231	I89-W124 HydrophobicContact CD1-CB 3.98Å; I89-W124 HydrophobicContact CG1-CB 4.42Å; F110-W124 AromaticContact CD1-CH2 3.95Å; F110-W124 HydrophobicContact CD1-CH2 3.95Å; F110-W124 HydrophobicContact CD1-CZ2 4.47Å; F110-W124 AromaticContact CE1-CH2 3.98Å; F110-W124 HydrophobicContact CE1-CH2 3.98Å; A113-W124 HydrophobicContact CB-CD2 3.92Å; A113-W124 HydrophobicContact CB-CE3 4.09Å; A113-W124 HydrophobicContact CB-CH2 3.56Å; A113-W124 HydrophobicContact CB-CZ2 3.36Å; A113-W124 HydrophobicContact CB-CZ3 3.93Å; E117-W124 PolarHBondContact OE2-NE1 2.9Å; L121-W124 HydrophobicContact CD2-CB 4.13Å; L121-W124 HydrophobicContact CG-CB 4.12Å; K122-W124 PolarHBondContact O-N 2.81Å; W124-K126 VanDerWaalsContact C-N 3.26Å; W124-K126 PolarHBondContact O-N 2.79Å; W124-R127 WeakPolarHBondContact O-CG 3.37Å; W124-R127 PolarHBondContact O-N 2.8Å; W124-L128 HydrophobicContact CE3-CB 4.48Å; W124-L128 HydrophobicContact CE3-CD2 4.08Å; W124-L128 HydrophobicContact CZ3-CD2 3.76Å; W124-L128 PolarHBondContact O-N 2.8Å; W124-L128 VanDerWaalsContact O-N 3.07Å; W124-M231 HydrophobicContact CH2-CE 4.47Å; W124-M231 HydrophobicContact CH2-SD 4.42Å; W124-M231 HydrophobicContact CZ3-CE 4.42Å; W124-M231 HydrophobicContact CZ3-SD 3.86Å
125	E	96.5	Very high	96.9	Very high	99 Å²	99	52.7 Å²	52.7	46%	0.463	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-63.9	-26.3	177.6	62.9	-165.6	-164.2	0	0	113.6	D123 R127 M231	D123-E125 VanDerWaalsContact C-N 3.26Å; D123-E125 PolarHBondContact O-N 3.33Å; E125-R127 PolarHBondContact O-N 3.44Å; E125-M231 HydrophobicContact CB-SD 4.08Å
126	K	97.1	Very high	97	Very high	158 Å²	158	47.4 Å²	47.4	69%	0.687	22%	0.222	S	C	*	.	G	3₁₀ helix	trans	-75	-13.3	179.8	-64.7	-177.4	-178	157	0	113.2	D123 W124	D123-K126 HydrophobicContact CB-CD 4.09Å; D123-K126 HydrophobicContact CB-CG 4.49Å; D123-K126 PolarHBondContact O-N 3.36Å; D123-K126 VanDerWaalsContact O-N 3.17Å; D123-K126 WeakPolarHBondContact OD1-CE 3.41Å; D123-K126 IonicContact OD1-NZ 3.67Å; D123-K126 PolarHBondContact OD1-NZ 3Å; W124-K126 VanDerWaalsContact C-N 3.26Å; W124-K126 PolarHBondContact O-N 2.79Å
127	R	97.4	Very high	97.1	Very high	20 Å²	20	47.5 Å²	47.5	8%	0.075	22%	0.222	C	C	.	.	S	Bend	trans	-135.3	8.9	-172.7	61.7	-159.1	175.3	79.9	9	113.1	I89 N91 S96 W124 E125	I89-R127 VanDerWaalsContact C-NH1 3.29Å; I89-R127 PolarHBondContact O-NH1 3.08Å; I89-R127 PolarHBondContact O-NH2 2.94Å; N91-R127 PolarHBondContact O-NH1 3.44Å; S96-R127 PolarHBondContact N-O 3.01Å; W124-R127 WeakPolarHBondContact O-CG 3.37Å; W124-R127 PolarHBondContact O-N 2.8Å; E125-R127 PolarHBondContact O-N 3.44Å
128	L	98.7	Very high	97.3	Very high	3 Å²	3	44.8 Å²	44.8	2%	0.016	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	129.4	167	-178.7	64.5	0	0	0	109.3	L85 I89 S96 I98 W124 I130 M231	L85-L128 HydrophobicContact CD2-CD1 4.13Å; L85-L128 HydrophobicContact CD2-CD2 3.67Å; I89-L128 HydrophobicContact CD1-CB 4.46Å; S96-L128 CarbonylContact O-C 3.57Å; S96-L128 WeakPolarHBondContact O-CA 3.34Å; I98-L128 HydrophobicContact CD1-CD1 4.15Å; I98-L128 HydrophobicContact CG1-CD1 4.15Å; W124-L128 HydrophobicContact CE3-CB 4.48Å; W124-L128 HydrophobicContact CE3-CD2 4.08Å; W124-L128 HydrophobicContact CZ3-CD2 3.76Å; W124-L128 PolarHBondContact O-N 2.8Å; W124-L128 VanDerWaalsContact O-N 3.07Å; L128-I130 HydrophobicContact CD2-CD1 4.01Å; L128-I130 HydrophobicContact CD2-CG1 4.23Å; L128-I130 HydrophobicContact CG-CD1 4.41Å; L128-I130 HydrophobicContact CG-CG1 4.1Å; L128-M231 HydrophobicContact CB-SD 4.08Å; L128-M231 HydrophobicContact CD2-SD 3.87Å; L128-M231 HydrophobicContact CG-SD 4.28Å; L128-M231 WeakPolarHBondContact O-CB 3.14Å; L128-M231 WeakPolarHBondContact O-CG 3.49Å
129	I	98.9	Very high	97.4	Very high	29 Å²	29	38.7 Å²	38.7	15%	0.149	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	136.6	170.7	-60.4	178.8	0	0	0	108.6	V95 S96 F97 I98 M231 R233 F238	V95-I129 HydrophobicContact CG1-CD1 3.63Å; V95-I129 HydrophobicContact CG1-CG1 3.95Å; S96-I129 PolarHBondContact O-N 3.25Å; F97-I129 CarbonylContact C-O 3.36Å; F97-I129 VanDerWaalsContact CA-O 3.32Å; F97-I129 WeakPolarHBondContact CA-O 3.44Å; F97-I129 HydrophobicContact CD2-CB 3.98Å; F97-I129 HydrophobicContact CD2-CG2 3.76Å; F97-I129 WeakPolarHBondContact CD2-O 3.32Å; F97-I129 HydrophobicContact CE2-CG2 4.03Å; I98-I129 PolarHBondContact N-O 3.41Å; I129-M231 CarbonylContact C-O 3.49Å; I129-M231 VanDerWaalsContact CA-O 3.27Å; I129-M231 WeakPolarHBondContact CA-O 3.42Å; I129-R233 HydrophobicContact CG2-CB 3.87Å; I129-R233 HydrophobicContact CG2-CG 3.84Å; I129-F238 HydrophobicContact CD1-CD2 3.91Å; I129-F238 HydrophobicContact CD1-CE2 3.32Å; I129-F238 HydrophobicContact CD1-CZ 3.72Å
130	I	98.9	Very high	97.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	128.6	-179	-58.9	175.5	0	0	0	108.4	I98 I104 L109 L128 D132 I182 I228 M231 V232 R233	I98-I130 HydrophobicContact CB-CG1 4.4Å; I98-I130 HydrophobicContact CD1-CG1 4.32Å; I104-I130 HydrophobicContact CD1-CG2 3.54Å; L109-I130 HydrophobicContact CD2-CD1 3.85Å; L128-I130 HydrophobicContact CD2-CD1 4.01Å; L128-I130 HydrophobicContact CD2-CG1 4.23Å; L128-I130 HydrophobicContact CG-CD1 4.41Å; L128-I130 HydrophobicContact CG-CG1 4.1Å; I130-D132 PolarHBondContact O-N 3.29Å; I130-I182 HydrophobicContact CG2-CG1 4.24Å; I130-I228 HydrophobicContact CD1-CD1 3.59Å; I130-I228 HydrophobicContact CD1-CG1 3.79Å; I130-M231 HydrophobicContact CD1-CB 4.5Å; I130-M231 PolarHBondContact N-O 3.31Å; I130-V232 HydrophobicContact CB-CG2 4.32Å; I130-V232 WeakPolarHBondContact O-CA 3.48Å; I130-R233 PolarHBondContact O-N 2.9Å
131	S	98.9	Very high	97.8	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	126.9	172.2	-178.2	0	0	0	0	110.3	I98 N100 R133 A134	I98-S131 VanDerWaalsContact O-CB 3.3Å; I98-S131 WeakPolarHBondContact O-CB 3.32Å; I98-S131 PolarHBondContact O-N 3.26Å; N100-S131 WeakPolarHBondContact CB-OG 3.23Å; S131-R133 PolarHBondContact O-N 3.42Å; S131-R133 VanDerWaalsContact O-N 3.12Å; S131-R133 PolarHBondContact OG-N 3.05Å; S131-A134 WeakPolarHBondContact O-CB 3.4Å; S131-A134 PolarHBondContact O-N 3.29Å; S131-A134 VanDerWaalsContact O-N 3.15Å
132	D	98.9	Very high	98	Very high	27 Å²	27	35.8 Å²	35.8	14%	0.144	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.7	170.1	71.8	-36.7	0	0	0	113.3	I130 C183 V232 R233	I130-D132 PolarHBondContact O-N 3.29Å; D132-C183 HydrophobicContact CB-CB 4.02Å; D132-C183 VanDerWaalsContact O-CB 3.31Å; D132-C183 WeakPolarHBondContact O-CB 3.43Å; D132-C183 PolarHBondContact O-N 3.07Å; D132-V232 HydrophobicContact CB-CG1 3.71Å; D132-R233 PolarHBondContact N-O 3.15Å
133	R	98.9	Very high	98.2	Very high	88 Å²	88	32.6 Å²	32.6	33%	0.332	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-5.5	-179.3	-69.5	173.4	-158.6	-41.2	-3.6	114.6	N100 S131 R181 D234	N100-R133 HydrophobicContact CB-CB 3.55Å; S131-R133 PolarHBondContact O-N 3.42Å; S131-R133 VanDerWaalsContact O-N 3.12Å; S131-R133 PolarHBondContact OG-N 3.05Å; R133-R181 WeakPolarHBondContact O-CD 3.47Å; R133-D234 IonicContact CZ-OD2 3.13Å; R133-D234 IonicContact NE-OD2 2.71Å; R133-D234 IonicContact NH2-OD2 3.55Å; R133-D234 PolarHBondContact NH2-OD2 2.92Å
134	A	98.9	Very high	98.2	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-64.4	141.8	175.4	0	0	0	0	0	111	I104 S131 R181 I182	I104-A134 HydrophobicContact CD1-CB 3.57Å; I104-A134 HydrophobicContact CG1-CB 4.16Å; S131-A134 WeakPolarHBondContact O-CB 3.4Å; S131-A134 PolarHBondContact O-N 3.29Å; S131-A134 VanDerWaalsContact O-N 3.15Å; A134-R181 CarbonylContact O-C 3.6Å; A134-R181 WeakPolarHBondContact O-CA 3.44Å; A134-R181 VanDerWaalsContact O-CB 3.3Å; A134-R181 WeakPolarHBondContact O-CB 3.4Å; A134-I182 HydrophobicContact CB-CG1 4.12Å; A134-I182 PolarHBondContact O-N 2.74Å
135	H	98.9	Very high	98.2	Very high	22 Å²	22	28.8 Å²	28.8	10%	0.102	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	150.6	-179.2	-80	64.8	0	0	0	111.6	V102 V103 I104 T170 K174	V102-H135 PolarHBondContact O-N 2.94Å; V103-H135 CarbonylContact C-O 3.48Å; V103-H135 WeakPolarHBondContact CA-O 3.46Å; V103-H135 HydrophobicContact CG1-CB 4.14Å; I104-H135 PolarHBondContact N-O 2.96Å; H135-T170 HydrophobicContact CB-CG2 4.24Å; H135-K174 WeakPolarHBondContact NE2-CG 3.28Å
136	L	98.9	Very high	98	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.3	177.7	-72.1	167	0	0	0	111.1	I104 L106 F138 T170 L180 I182 L185 F192	I104-L136 WeakPolarHBondContact O-CA 3.42Å; L106-L136 HydrophobicContact CD1-CD2 3.69Å; L106-L136 HydrophobicContact CD2-CD2 4.21Å; L106-L136 HydrophobicContact CG-CD2 3.71Å; L136-F138 HydrophobicContact CB-CD1 4.48Å; L136-F138 HydrophobicContact CB-CE1 3.86Å; L136-F138 HydrophobicContact CB-CE2 4.26Å; L136-F138 HydrophobicContact CB-CZ 3.73Å; L136-F138 HydrophobicContact CD1-CE1 4.05Å; L136-F138 HydrophobicContact CD1-CZ 3.96Å; L136-T170 VanDerWaalsContact O-CG2 3.28Å; L136-T170 WeakPolarHBondContact O-CG2 3.28Å; L136-L180 PolarHBondContact N-O 3.33Å; L136-I182 HydrophobicContact CD2-CD1 3.58Å; L136-I182 HydrophobicContact CG-CD1 4.26Å; L136-L185 HydrophobicContact CD1-CB 3.96Å; L136-L185 HydrophobicContact CD1-CD2 4.3Å; L136-F192 HydrophobicContact CD1-CE2 4.02Å; L136-F192 HydrophobicContact CD1-CZ 4.35Å
137	V	98.8	Very high	97.9	Very high	4 Å²	4	19.9 Å²	19.9	2%	0.024	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	120.7	163.5	-176.7	0	0	0	0	107.2	V103 I104 H105 H141 Q142 K165 T170	V103-V137 HydrophobicContact CB-CG2 3.65Å; V103-V137 HydrophobicContact CG2-CG2 3.65Å; I104-V137 PolarHBondContact O-N 2.91Å; H105-V137 HydrophobicContact CB-CB 3.9Å; H105-V137 HydrophobicContact CB-CG1 4.22Å; H105-V137 PolarHBondContact CD2-O 3.12Å; V137-H141 HydrophobicContact CG1-CB 4.24Å; V137-Q142 HydrophobicContact CG1-CG 4.27Å; V137-K165 WeakPolarHBondContact CG1-O 3.27Å; V137-T170 HydrophobicContact CG2-CG2 4.06Å
138	F	98.8	Very high	97.7	Very high	5 Å²	5	22.3 Å²	22.3	2%	0.022	12%	0.117	C	C	.	.	P	Polyproline II helix	trans	-96.5	161.9	174.4	-61.6	-58.2	0	0	0	111.6	L136 F140 H141 Q142 L180 F192 F196 L199 L221	L136-F138 HydrophobicContact CB-CD1 4.48Å; L136-F138 HydrophobicContact CB-CE1 3.86Å; L136-F138 HydrophobicContact CB-CE2 4.26Å; L136-F138 HydrophobicContact CB-CZ 3.73Å; L136-F138 HydrophobicContact CD1-CE1 4.05Å; L136-F138 HydrophobicContact CD1-CZ 3.96Å; F138-F140 HydrophobicContact CB-CD1 3.7Å; F138-F140 HydrophobicContact CB-CD2 4.4Å; F138-F140 HydrophobicContact CB-CE1 3.41Å; F138-F140 VanDerWaalsContact CB-CE1 3.41Å; F138-F140 HydrophobicContact CB-CE2 4.13Å; F138-F140 HydrophobicContact CB-CG 4.2Å; F138-F140 HydrophobicContact CB-CZ 3.65Å; F138-F140 AromaticContact CD2-CE1 3.77Å; F138-F140 HydrophobicContact CD2-CE1 3.77Å; F138-F140 HydrophobicContact CD2-CE2 4.15Å; F138-F140 AromaticContact CD2-CZ 3.36Å; F138-F140 HydrophobicContact CD2-CZ 3.36Å; F138-F140 HydrophobicContact CE2-CZ 4.29Å; F138-F140 HydrophobicContact CG-CD1 4.49Å; F138-F140 AromaticContact CG-CE1 3.74Å; F138-F140 HydrophobicContact CG-CE1 3.74Å; F138-F140 AromaticContact CG-CZ 3.8Å; F138-F140 HydrophobicContact CG-CZ 3.8Å; F138-F140 PolarHBondContact O-N 2.72Å; F138-H141 AromaticContact CD2-CE1 3.76Å; F138-H141 PolarHBondContact N-ND1 3.25Å; F138-H141 WeakPolarHBondContact O-CB 3.39Å; F138-H141 PolarHBondContact O-N 2.76Å; F138-Q142 PolarHBondContact O-N 2.86Å; F138-L180 HydrophobicContact CE2-CB 3.95Å; F138-L180 HydrophobicContact CE2-CD1 3.93Å; F138-L180 HydrophobicContact CE2-CG 4.2Å; F138-L180 HydrophobicContact CZ-CB 3.83Å; F138-L180 HydrophobicContact CZ-CD1 3.77Å; F138-L180 HydrophobicContact CZ-CG 4.27Å; F138-F192 HydrophobicContact CE1-CZ 4.13Å; F138-F192 HydrophobicContact CZ-CE2 4.32Å; F138-F192 HydrophobicContact CZ-CZ 4.1Å; F138-F196 HydrophobicContact CB-CE2 4.36Å; F138-F196 HydrophobicContact CD1-CD2 4.04Å; F138-F196 AromaticContact CD1-CE2 3.6Å; F138-F196 HydrophobicContact CD1-CE2 3.6Å; F138-F196 HydrophobicContact CD2-CD2 4.31Å; F138-F196 HydrophobicContact CD2-CE2 4.24Å; F138-F196 AromaticContact CE1-CD2 3.81Å; F138-F196 HydrophobicContact CE1-CD2 3.81Å; F138-F196 AromaticContact CE1-CE2 3.85Å; F138-F196 HydrophobicContact CE1-CE2 3.85Å; F138-F196 HydrophobicContact CE2-CD2 4.09Å; F138-F196 HydrophobicContact CE2-CE2 4.44Å; F138-F196 HydrophobicContact CG-CD2 4.28Å; F138-F196 AromaticContact CG-CE2 3.81Å; F138-F196 HydrophobicContact CG-CE2 3.81Å; F138-F196 AromaticContact CZ-CD2 3.83Å; F138-F196 HydrophobicContact CZ-CD2 3.83Å; F138-F196 HydrophobicContact CZ-CE2 4.26Å; F138-L199 HydrophobicContact CD2-CD2 4.23Å; F138-L199 HydrophobicContact CE2-CD2 4.08Å; F138-L221 HydrophobicContact CD1-CD1 3.97Å; F138-L221 HydrophobicContact CD1-CD2 4.37Å; F138-L221 HydrophobicContact CE1-CD1 3.74Å; F138-L221 HydrophobicContact CE1-CD2 4.14Å
139	D	98.3	Very high	97.2	Very high	48 Å²	48	22.7 Å²	22.7	26%	0.257	12%	0.119	S	C	.	.	H	α-helix	trans	-61.6	-35.5	-178.7	-64.6	-21.7	0	0	0	111	H105 H141 Q142 A143 R220	H105-D139 IonicContact CD2-OD1 3.66Å; H105-D139 IonicContact CE1-OD1 3.41Å; H105-D139 IonicContact NE2-OD1 3.39Å; H105-D139 PolarHBondContact NE2-OD1 3.09Å; D139-H141 VanDerWaalsContact C-N 3.3Å; D139-H141 PolarHBondContact O-N 2.75Å; D139-Q142 WeakPolarHBondContact O-CB 3.49Å; D139-Q142 PolarHBondContact O-N 3.44Å; D139-Q142 VanDerWaalsContact O-N 3.09Å; D139-A143 PolarHBondContact O-N 2.88Å; D139-R220 IonicContact OD2-NH1 2.77Å
140	F	98.3	Very high	96.7	Very high	3 Å²	3	25.9 Å²	25.9	1%	0.013	14%	0.14	C	C	.	.	H	α-helix	trans	-66.8	-27	174.2	62.8	-104.6	0	0	0	113.5	F138 Q142 A143 V144 F196 L199 A200 H203 L210 I212	F138-F140 HydrophobicContact CB-CD1 3.7Å; F138-F140 HydrophobicContact CB-CD2 4.4Å; F138-F140 HydrophobicContact CB-CE1 3.41Å; F138-F140 VanDerWaalsContact CB-CE1 3.41Å; F138-F140 HydrophobicContact CB-CE2 4.13Å; F138-F140 HydrophobicContact CB-CG 4.2Å; F138-F140 HydrophobicContact CB-CZ 3.65Å; F138-F140 AromaticContact CD2-CE1 3.77Å; F138-F140 HydrophobicContact CD2-CE1 3.77Å; F138-F140 HydrophobicContact CD2-CE2 4.15Å; F138-F140 AromaticContact CD2-CZ 3.36Å; F138-F140 HydrophobicContact CD2-CZ 3.36Å; F138-F140 HydrophobicContact CE2-CZ 4.29Å; F138-F140 HydrophobicContact CG-CD1 4.49Å; F138-F140 AromaticContact CG-CE1 3.74Å; F138-F140 HydrophobicContact CG-CE1 3.74Å; F138-F140 AromaticContact CG-CZ 3.8Å; F138-F140 HydrophobicContact CG-CZ 3.8Å; F138-F140 PolarHBondContact O-N 2.72Å; F140-Q142 VanDerWaalsContact C-N 3.3Å; F140-Q142 PolarHBondContact O-N 3.41Å; F140-A143 PolarHBondContact O-N 2.86Å; F140-V144 WeakPolarHBondContact O-CB 3.14Å; F140-V144 WeakPolarHBondContact O-CG2 3.38Å; F140-V144 PolarHBondContact O-N 3.37Å; F140-F196 HydrophobicContact CD1-CE2 4.36Å; F140-F196 HydrophobicContact CD1-CZ 4.17Å; F140-F196 HydrophobicContact CE1-CD2 4.21Å; F140-F196 HydrophobicContact CE1-CE1 4.47Å; F140-F196 AromaticContact CE1-CE2 3.55Å; F140-F196 HydrophobicContact CE1-CE2 3.55Å; F140-F196 AromaticContact CE1-CZ 3.7Å; F140-F196 HydrophobicContact CE1-CZ 3.7Å; F140-F196 HydrophobicContact CZ-CE2 4.44Å; F140-L199 HydrophobicContact CE2-CD2 4.25Å; F140-L199 HydrophobicContact CE2-CG 4.09Å; F140-L199 HydrophobicContact CZ-CD2 3.94Å; F140-L199 HydrophobicContact CZ-CG 3.94Å; F140-A200 HydrophobicContact CD1-CB 4.48Å; F140-A200 HydrophobicContact CE1-CB 4.22Å; F140-H203 HydrophobicContact CD2-CB 4.38Å; F140-H203 AromaticContact CD2-CD2 3.79Å; F140-H203 AromaticContact CE2-CD2 3.47Å; F140-H203 VanDerWaalsContact CE2-CD2 3.47Å; F140-H203 WeakPolarHBondContact CE2-CD2 3.44Å; F140-H203 AromaticContact CE2-NE2 3.9Å; F140-L210 HydrophobicContact CB-CD2 4.46Å; F140-I212 HydrophobicContact CB-CD1 3.58Å; F140-I212 HydrophobicContact CB-CG1 3.9Å; F140-I212 HydrophobicContact CB-CG2 4.42Å; F140-I212 HydrophobicContact CD1-CD1 4.19Å; F140-I212 HydrophobicContact CD1-CG2 4.22Å; F140-I212 HydrophobicContact CG-CD1 3.93Å
141	H	98.6	Very high	96.2	Very high	1 Å²	1	30.4 Å²	30.4	1%	0.005	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-37.2	171.2	-67	152.6	0	0	0	110.8	V137 F138 D139 D145 G166 P169 T170 S173 H203	V137-H141 HydrophobicContact CG1-CB 4.24Å; F138-H141 AromaticContact CD2-CE1 3.76Å; F138-H141 PolarHBondContact N-ND1 3.25Å; F138-H141 WeakPolarHBondContact O-CB 3.39Å; F138-H141 PolarHBondContact O-N 2.76Å; D139-H141 VanDerWaalsContact C-N 3.3Å; D139-H141 PolarHBondContact O-N 2.75Å; H141-D145 WeakPolarHBondContact O-CB 3.5Å; H141-D145 PolarHBondContact O-N 2.51Å; H141-G166 WeakPolarHBondContact O-CA 3.3Å; H141-P169 HydrophobicContact CB-CB 4.07Å; H141-T170 PolarHBondContact ND1-OG1 3.23Å; H141-S173 PolarHBondContact NE2-OG 2.89Å; H141-H203 AromaticContact CD2-CE1 3.89Å; H141-H203 AromaticContact CD2-NE2 3.56Å; H141-H203 AromaticContact NE2-NE2 3.54Å
142	Q	98	Very high	95.5	Very high	45 Å²	45	34.1 Å²	34.1	21%	0.21	18%	0.175	C	C	.	.	H	α-helix	trans	-68	-42.7	176.3	-54.8	-167.5	-20.8	0	0	111.5	H105 V137 F138 D139 F140 D145 G146	H105-Q142 PolarHBondContact CE1-NE2 3.34Å; H105-Q142 PolarHBondContact ND1-NE2 2.84Å; H105-Q142 VanDerWaalsContact ND1-NE2 3.18Å; H105-Q142 PolarHBondContact NE2-NE2 3.01Å; V137-Q142 HydrophobicContact CG1-CG 4.27Å; F138-Q142 PolarHBondContact O-N 2.86Å; D139-Q142 WeakPolarHBondContact O-CB 3.49Å; D139-Q142 PolarHBondContact O-N 3.44Å; D139-Q142 VanDerWaalsContact O-N 3.09Å; F140-Q142 VanDerWaalsContact C-N 3.3Å; F140-Q142 PolarHBondContact O-N 3.41Å; Q142-D145 WeakPolarHBondContact O-CB 3.26Å; Q142-D145 PolarHBondContact O-N 3.38Å; Q142-G146 PolarHBondContact O-N 3.12Å; Q142-G146 VanDerWaalsContact O-N 3.14Å
143	A	97.3	Very high	94.9	Very high	44 Å²	44	36.8 Å²	36.8	36%	0.364	19%	0.186	S	C	.	.	H	α-helix	trans	-60.5	-46.8	175.4	0	0	0	0	0	111.6	D139 F140 D145 G146 L147 L210	D139-A143 PolarHBondContact O-N 2.88Å; F140-A143 PolarHBondContact O-N 2.86Å; A143-D145 PolarHBondContact O-N 3.42Å; A143-G146 PolarHBondContact O-N 3.46Å; A143-L147 WeakPolarHBondContact O-CG 3.44Å; A143-L147 PolarHBondContact O-N 2.86Å; A143-L210 HydrophobicContact CB-CD1 3.51Å
144	V	96.9	Very high	94.2	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.006	21%	0.205	C	C	.	.	H	α-helix	trans	-60.9	-42.5	176.9	169.3	0	0	0	0	112	F140 G146 L147 Q148 P169 H203 F207 L210	F140-V144 WeakPolarHBondContact O-CB 3.14Å; F140-V144 WeakPolarHBondContact O-CG2 3.38Å; F140-V144 PolarHBondContact O-N 3.37Å; V144-G146 VanDerWaalsContact C-N 3.29Å; V144-G146 PolarHBondContact O-N 3.34Å; V144-L147 PolarHBondContact O-N 2.88Å; V144-Q148 HydrophobicContact CG1-CG 4.19Å; V144-Q148 WeakPolarHBondContact O-CB 3.12Å; V144-Q148 WeakPolarHBondContact O-CG 3.38Å; V144-Q148 PolarHBondContact O-N 2.88Å; V144-P169 HydrophobicContact CB-CG 4.36Å; V144-P169 HydrophobicContact CG1-CB 4.22Å; V144-P169 HydrophobicContact CG1-CG 3.97Å; V144-H203 HydrophobicContact CG2-CB 4.49Å; V144-F207 HydrophobicContact CB-CE2 4.5Å; V144-F207 HydrophobicContact CG1-CD2 3.94Å; V144-F207 HydrophobicContact CG1-CE1 4.3Å; V144-F207 HydrophobicContact CG1-CE2 3.46Å; V144-F207 VanDerWaalsContact CG1-CE2 3.46Å; V144-F207 HydrophobicContact CG1-CZ 3.67Å; V144-F207 HydrophobicContact CG2-CD2 3.85Å; V144-F207 HydrophobicContact CG2-CE2 4.2Å; V144-F207 HydrophobicContact CG2-CG 4.35Å; V144-L210 HydrophobicContact CG2-CD1 4.15Å; V144-L210 HydrophobicContact CG2-CD2 3.55Å; V144-L210 HydrophobicContact CG2-CG 4.46Å
145	D	95.7	Very high	93.3	Very high	5 Å²	5	43.2 Å²	43.2	3%	0.027	24%	0.235	C	C	.	.	H	α-helix	trans	-57.4	-44.1	176.3	-167.9	5.1	0	0	0	111	H141 Q142 A143 E149 T162 K164 K165 G166 P169	H141-D145 WeakPolarHBondContact O-CB 3.5Å; H141-D145 PolarHBondContact O-N 2.51Å; Q142-D145 WeakPolarHBondContact O-CB 3.26Å; Q142-D145 PolarHBondContact O-N 3.38Å; A143-D145 PolarHBondContact O-N 3.42Å; D145-E149 PolarHBondContact O-N 2.86Å; D145-T162 VanDerWaalsContact OD1-CB 3.27Å; D145-T162 WeakPolarHBondContact OD1-CB 3.47Å; D145-T162 PolarHBondContact OD1-OG1 3.11Å; D145-K164 WeakPolarHBondContact OD2-CA 3.29Å; D145-K164 PolarHBondContact OD2-N 3.34Å; D145-K165 PolarHBondContact OD2-N 3.05Å; D145-K165 VanDerWaalsContact OD2-N 3.1Å; D145-G166 PolarHBondContact OD2-N 2.87Å; D145-P169 HydrophobicContact CB-CG 3.88Å
146	G	94	Very high	92.4	Very high	16 Å²	16	47.5 Å²	47.5	17%	0.165	26%	0.255	C	S	.	.	H	α-helix	trans	-63	-44.1	174.1	0	0	0	0	0	113.7	Q142 A143 V144 E149 V150	Q142-G146 PolarHBondContact O-N 3.12Å; Q142-G146 VanDerWaalsContact O-N 3.14Å; A143-G146 PolarHBondContact O-N 3.46Å; V144-G146 VanDerWaalsContact C-N 3.29Å; V144-G146 PolarHBondContact O-N 3.34Å; G146-E149 PolarHBondContact O-N 3.34Å; G146-V150 WeakPolarHBondContact O-CG2 3.43Å; G146-V150 PolarHBondContact O-N 3.41Å
147	L	93.8	Very high	91.4	Very high	54 Å²	54	49.8 Å²	49.8	28%	0.283	28%	0.28	S	S	.	.	H	α-helix	trans	-64.1	-43.1	178.6	-70.8	173.1	0	0	0	111.9	A143 V144 E149 V150 Q151 F207 L210	A143-L147 WeakPolarHBondContact O-CG 3.44Å; A143-L147 PolarHBondContact O-N 2.86Å; V144-L147 PolarHBondContact O-N 2.88Å; L147-E149 VanDerWaalsContact C-N 3.33Å; L147-E149 PolarHBondContact O-N 3Å; L147-V150 PolarHBondContact O-N 3.28Å; L147-Q151 WeakPolarHBondContact O-CB 3.21Å; L147-Q151 PolarHBondContact O-N 3.06Å; L147-F207 HydrophobicContact CD1-CB 4.31Å; L147-L210 HydrophobicContact CD1-CB 4.21Å; L147-L210 HydrophobicContact CD1-CD1 4.17Å
148	Q	92.4	Very high	90.3	Very high	71 Å²	71	55.8 Å²	55.8	33%	0.332	31%	0.305	S	S	.	.	H	α-helix	trans	-61.8	-39.2	178.9	-75.3	-178.3	-37.5	0	0	112.2	V144 Q151 R152 F207	V144-Q148 HydrophobicContact CG1-CG 4.19Å; V144-Q148 WeakPolarHBondContact O-CB 3.12Å; V144-Q148 WeakPolarHBondContact O-CG 3.38Å; V144-Q148 PolarHBondContact O-N 2.88Å; Q148-Q151 PolarHBondContact O-N 3.28Å; Q148-R152 VanDerWaalsContact O-CB 3.25Å; Q148-R152 WeakPolarHBondContact O-CB 3.34Å; Q148-R152 PolarHBondContact O-N 3.23Å; Q148-F207 HydrophobicContact CG-CE1 3.75Å; Q148-F207 HydrophobicContact CG-CZ 3.81Å
149	E	89.7	Confident	89.5	Confident	12 Å²	12	57.9 Å²	57.9	6%	0.056	32%	0.317	C	S	.	.	H	α-helix	trans	-64.3	-41.1	175.7	-81	-76.8	93.8	0	0	112.6	D145 G146 L147 Q153 N159 I160 G161 T162	D145-E149 PolarHBondContact O-N 2.86Å; G146-E149 PolarHBondContact O-N 3.34Å; L147-E149 VanDerWaalsContact C-N 3.33Å; L147-E149 PolarHBondContact O-N 3Å; E149-Q153 WeakPolarHBondContact O-CB 3.4Å; E149-Q153 PolarHBondContact O-N 2.95Å; E149-N159 WeakPolarHBondContact OE2-CB 3.32Å; E149-I160 PolarHBondContact OE1-N 3.03Å; E149-G161 WeakPolarHBondContact OE2-CA 3.39Å; E149-G161 PolarHBondContact OE2-N 2.81Å; E149-T162 HydrophobicContact CG-CG2 3.88Å; E149-T162 WeakPolarHBondContact CG-OG1 3.44Å; E149-T162 PolarHBondContact OE2-N 3.17Å; E149-T162 VanDerWaalsContact OE2-N 3.09Å
150	V	88.6	Confident	88.7	Confident	96 Å²	96	57.6 Å²	57.6	58%	0.582	32%	0.315	S	S	*	.	H	α-helix	trans	-65.2	-47.2	176.5	175.4	0	0	0	0	110	G146 L147 R152 Q153 A154	G146-V150 WeakPolarHBondContact O-CG2 3.43Å; G146-V150 PolarHBondContact O-N 3.41Å; L147-V150 PolarHBondContact O-N 3.28Å; V150-R152 PolarHBondContact O-N 2.82Å; V150-Q153 PolarHBondContact O-N 2.75Å; V150-A154 PolarHBondContact O-N 2.67Å
151	Q	87.3	Confident	87.9	Confident	95 Å²	95	58.9 Å²	58.9	44%	0.444	33%	0.329	S	S	.	.	H	α-helix	trans	-62	-45.2	179.9	-174.4	176.8	11.1	0	0	111.7	L147 Q148 A154 Q155	L147-Q151 WeakPolarHBondContact O-CB 3.21Å; L147-Q151 PolarHBondContact O-N 3.06Å; Q148-Q151 PolarHBondContact O-N 3.28Å; Q151-A154 PolarHBondContact O-N 2.95Å; Q151-Q155 HydrophobicContact CG-CG 4.47Å; Q151-Q155 WeakPolarHBondContact O-CG 3.17Å; Q151-Q155 PolarHBondContact O-N 3.23Å
152	R	85.2	Confident	87.2	Confident	78 Å²	78	60.9 Å²	60.9	29%	0.294	34%	0.341	S	S	.	.	H	α-helix	trans	-62.5	-44.2	177.7	-168.4	-174.5	-60.7	-71	-3.3	111.7	Q148 V150 A154 Q155 E156 K158	Q148-R152 VanDerWaalsContact O-CB 3.25Å; Q148-R152 WeakPolarHBondContact O-CB 3.34Å; Q148-R152 PolarHBondContact O-N 3.23Å; V150-R152 PolarHBondContact O-N 2.82Å; R152-A154 VanDerWaalsContact C-N 3.26Å; R152-A154 PolarHBondContact O-N 3.4Å; R152-Q155 PolarHBondContact O-N 2.83Å; R152-E156 HydrophobicContact CG-CB 4.38Å; R152-E156 HydrophobicContact CG-CG 4.26Å; R152-E156 VanDerWaalsContact CG-OE2 3.31Å; R152-E156 WeakPolarHBondContact CG-OE2 3.38Å; R152-E156 IonicContact NH1-OE1 3.78Å; R152-E156 PolarHBondContact NH1-OE1 3.39Å; R152-E156 VanDerWaalsContact NH1-OE1 3.13Å; R152-E156 IonicContact NH1-OE2 2.86Å; R152-E156 WeakPolarHBondContact O-CB 3.47Å; R152-E156 PolarHBondContact O-N 2.89Å; R152-K158 CarbonylContact C-O 3.47Å; R152-K158 WeakPolarHBondContact CG-O 3.44Å
153	Q	85.6	Confident	86.5	Confident	82 Å²	82	62.1 Å²	62.1	38%	0.383	35%	0.352	S	S	.	.	H	α-helix	trans	-59.2	-40	175.8	-176.4	61.2	38.7	0	0	111.7	E149 V150 G157 N159	E149-Q153 WeakPolarHBondContact O-CB 3.4Å; E149-Q153 PolarHBondContact O-N 2.95Å; V150-Q153 PolarHBondContact O-N 2.75Å; Q153-G157 VanDerWaalsContact NE2-C 3.33Å; Q153-G157 PolarHBondContact NE2-O 2.85Å; Q153-G157 VanDerWaalsContact O-CA 3.22Å; Q153-G157 WeakPolarHBondContact O-CA 3.2Å; Q153-G157 PolarHBondContact O-N 3.34Å; Q153-G157 VanDerWaalsContact O-N 3.11Å; Q153-N159 HydrophobicContact CB-CB 4.46Å
154	A	83.9	Confident	86.2	Confident	87 Å²	87	65.4 Å²	65.4	72%	0.719	36%	0.358	S	S	*	.	H	α-helix	trans	-70.3	-35.3	178.9	0	0	0	0	0	113.2	V150 Q151 R152	V150-A154 PolarHBondContact O-N 2.67Å; Q151-A154 PolarHBondContact O-N 2.95Å; R152-A154 VanDerWaalsContact C-N 3.26Å; R152-A154 PolarHBondContact O-N 3.4Å
155	Q	81.4	Confident	86.1	Confident	137 Å²	137	69.2 Å²	69.2	64%	0.64	38%	0.375	S	S	*	.	H	α-helix	trans	-87.6	-42.7	-176.3	-69.7	178.7	-14.8	0	0	113.4	Q151 R152	Q151-Q155 HydrophobicContact CG-CG 4.47Å; Q151-Q155 WeakPolarHBondContact O-CG 3.17Å; Q151-Q155 PolarHBondContact O-N 3.23Å; R152-Q155 PolarHBondContact O-N 2.83Å
156	E	78.6	Confident	86.2	Confident	111 Å²	111	69 Å²	69	52%	0.519	37%	0.373	S	S	.	.	H	α-helix	trans	-107.6	-5.1	-170.3	-60.7	174.4	-164	0	0	112.5	R152 K158	R152-E156 HydrophobicContact CG-CB 4.38Å; R152-E156 HydrophobicContact CG-CG 4.26Å; R152-E156 VanDerWaalsContact CG-OE2 3.31Å; R152-E156 WeakPolarHBondContact CG-OE2 3.38Å; R152-E156 IonicContact NH1-OE1 3.78Å; R152-E156 PolarHBondContact NH1-OE1 3.39Å; R152-E156 VanDerWaalsContact NH1-OE1 3.13Å; R152-E156 IonicContact NH1-OE2 2.86Å; R152-E156 WeakPolarHBondContact O-CB 3.47Å; R152-E156 PolarHBondContact O-N 2.89Å; E156-K158 PolarHBondContact O-N 3.1Å; E156-K158 VanDerWaalsContact O-N 3.14Å
157	G	78.9	Confident	86.3	Confident	51 Å²	51	68.5 Å²	68.5	53%	0.526	37%	0.367	S	S	.	.	S	Bend	trans	67.7	5.6	-174.7	0	0	0	0	0	114.1	Q153	Q153-G157 VanDerWaalsContact NE2-C 3.33Å; Q153-G157 PolarHBondContact NE2-O 2.85Å; Q153-G157 VanDerWaalsContact O-CA 3.22Å; Q153-G157 WeakPolarHBondContact O-CA 3.2Å; Q153-G157 PolarHBondContact O-N 3.34Å; Q153-G157 VanDerWaalsContact O-N 3.11Å
158	K	75.4	Confident	86.4	Confident	129 Å²	129	67 Å²	67	56%	0.561	36%	0.364	S	S	*	.			trans	-138	141.5	-173.8	-65.5	177.4	-174.5	173	0	110	R152 E156 I307	R152-K158 CarbonylContact C-O 3.47Å; R152-K158 WeakPolarHBondContact CG-O 3.44Å; E156-K158 PolarHBondContact O-N 3.1Å; E156-K158 VanDerWaalsContact O-N 3.14Å; K158-I307 HydrophobicContact CB-CD1 3.82Å; K158-I307 HydrophobicContact CD-CD1 4.41Å; K158-I307 HydrophobicContact CG-CD1 4.29Å
159	N	82.4	Confident	86.7	Confident	50 Å²	50	63.8 Å²	63.8	27%	0.267	35%	0.35	S	S	.	.			trans	-108.5	153.2	171.3	61.8	10.7	0	0	0	110.1	E149 Q153 I307	E149-N159 WeakPolarHBondContact OE2-CB 3.32Å; Q153-N159 HydrophobicContact CB-CB 4.46Å; N159-I307 WeakPolarHBondContact O-CD1 3.43Å; N159-I307 WeakPolarHBondContact O-CG1 3.31Å
160	I	81.1	Confident	87.2	Confident	41 Å²	41	63.3 Å²	63.3	21%	0.21	35%	0.348	C	S	.	.			trans	-71.7	-31.1	173.6	-67.8	172.8	0	0	0	109.1	E149 T162	E149-I160 PolarHBondContact OE1-N 3.03Å; I160-T162 HydrophobicContact CB-CG2 4.2Å; I160-T162 HydrophobicContact CG2-CG2 4.23Å
161	G	81.8	Confident	87.6	Confident	30 Å²	30	60.1 Å²	60.1	31%	0.309	33%	0.325	S	S	.	.			trans	83.5	44.1	-171.6	0	0	0	0	0	111.1	E149	E149-G161 WeakPolarHBondContact OE2-CA 3.39Å; E149-G161 PolarHBondContact OE2-N 2.81Å
162	T	82.9	Confident	88.2	Confident	44 Å²	44	59.3 Å²	59.3	27%	0.27	33%	0.33	S	S	.	.			trans	-62.9	159.6	178.2	80.6	0	0	0	0	110.7	D145 E149 I160 K164	D145-T162 VanDerWaalsContact OD1-CB 3.27Å; D145-T162 WeakPolarHBondContact OD1-CB 3.47Å; D145-T162 PolarHBondContact OD1-OG1 3.11Å; E149-T162 HydrophobicContact CG-CG2 3.88Å; E149-T162 WeakPolarHBondContact CG-OG1 3.44Å; E149-T162 PolarHBondContact OE2-N 3.17Å; E149-T162 VanDerWaalsContact OE2-N 3.09Å; I160-T162 HydrophobicContact CB-CG2 4.2Å; I160-T162 HydrophobicContact CG2-CG2 4.23Å; T162-K164 PolarHBondContact O-N 2.81Å; T162-K164 PolarHBondContact OG1-N 2.77Å
163	T	82.9	Confident	88.8	Confident	71 Å²	71	55.9 Å²	55.9	44%	0.436	32%	0.318	S	S	.	.			trans	-77.3	-3.3	177.3	56	0	0	0	0	112.9	N68 K165	N68-T163 HydrophobicContact CB-CG2 3.95Å; N68-T163 VanDerWaalsContact CB-OG1 3.27Å; N68-T163 WeakPolarHBondContact CB-OG1 3.2Å; T163-K165 PolarHBondContact O-N 3.42Å
164	K	92	Very high	89.4	Confident	113 Å²	113	55.1 Å²	55.1	49%	0.491	31%	0.313	S	S	.	.	S	Bend	trans	55	30.5	-175	-53.8	-177.8	-178.6	-174.9	0	112.7	D145 T162	D145-K164 WeakPolarHBondContact OD2-CA 3.29Å; D145-K164 PolarHBondContact OD2-N 3.34Å; T162-K164 PolarHBondContact O-N 2.81Å; T162-K164 PolarHBondContact OG1-N 2.77Å
165	K	94.7	Very high	90.1	Very high	81 Å²	81	54.7 Å²	54.7	35%	0.352	31%	0.31	S	S	.	.	S	Bend	trans	-97.8	4.7	-179.9	-67.3	-59	-174.9	179	0	112.6	N67 V137 D145 T163 I167	N67-K165 WeakPolarHBondContact OD1-CB 3.47Å; V137-K165 WeakPolarHBondContact CG1-O 3.27Å; D145-K165 PolarHBondContact OD2-N 3.05Å; D145-K165 VanDerWaalsContact OD2-N 3.1Å; T163-K165 PolarHBondContact O-N 3.42Å; K165-I167 VanDerWaalsContact C-N 3.27Å; K165-I167 HydrophobicContact CB-CD1 4.26Å; K165-I167 HydrophobicContact CB-CG1 4.07Å; K165-I167 PolarHBondContact O-N 2.83Å
166	G	96.9	Very high	90.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	30%	0.299	C	S	.	.	S	Bend	trans	76.7	14.8	176.3	0	0	0	0	0	113.8	H141 D145 T170	H141-G166 WeakPolarHBondContact O-CA 3.3Å; D145-G166 PolarHBondContact OD2-N 2.87Å; G166-T170 VanDerWaalsContact O-CB 3.3Å; G166-T170 WeakPolarHBondContact O-CB 3.36Å; G166-T170 PolarHBondContact O-N 2.91Å; G166-T170 PolarHBondContact O-OG1 3.11Å
167	I	96.8	Very high	91.9	Very high	5 Å²	5	55.8 Å²	55.8	3%	0.026	31%	0.314	C	S	.	.	H	α-helix	trans	-65.1	-55.2	-177.1	-53.7	-56.2	0	0	0	110.2	N68 V103 K165 T170 Y171	N68-I167 HydrophobicContact CB-CD1 4.26Å; N68-I167 HydrophobicContact CB-CG1 3.68Å; V103-I167 HydrophobicContact CG2-CD1 3.71Å; V103-I167 HydrophobicContact CG2-CG2 4.21Å; K165-I167 VanDerWaalsContact C-N 3.27Å; K165-I167 HydrophobicContact CB-CD1 4.26Å; K165-I167 HydrophobicContact CB-CG1 4.07Å; K165-I167 PolarHBondContact O-N 2.83Å; I167-T170 PolarHBondContact O-N 2.95Å; I167-Y171 HydrophobicContact CG2-CD2 3.71Å; I167-Y171 HydrophobicContact CG2-CE2 3.69Å; I167-Y171 WeakPolarHBondContact O-CD2 3.25Å; I167-Y171 PolarHBondContact O-N 2.78Å
168	G	96.9	Very high	92.8	Very high	22 Å²	22	55.8 Å²	55.8	23%	0.227	30%	0.304	C	S	.	.	H	α-helix	trans	-57.5	-53.2	179.6	0	0	0	0	0	112.9	T170 Y171 S172 S272	G168-T170 VanDerWaalsContact C-N 3.29Å; G168-T170 PolarHBondContact O-N 2.78Å; G168-Y171 PolarHBondContact O-N 2.86Å; G168-S172 PolarHBondContact O-N 2.87Å; G168-S272 VanDerWaalsContact CA-OG 3.3Å; G168-S272 WeakPolarHBondContact CA-OG 3.47Å
169	P	98.3	Very high	93.9	Very high	5 Å²	5	50 Å²	50	3%	0.032	28%	0.281	C	S	.	.	H	α-helix	trans	-57.2	-39.1	176.2	-30.1	38.3	0	0	0	113.6	H141 V144 D145 S172 S173	H141-P169 HydrophobicContact CB-CB 4.07Å; V144-P169 HydrophobicContact CB-CG 4.36Å; V144-P169 HydrophobicContact CG1-CB 4.22Å; V144-P169 HydrophobicContact CG1-CG 3.97Å; D145-P169 HydrophobicContact CB-CG 3.88Å; P169-S172 WeakPolarHBondContact O-CB 3.12Å; P169-S172 PolarHBondContact O-N 2.91Å; P169-S173 PolarHBondContact O-N 2.82Å; P169-S173 PolarHBondContact O-OG 2.9Å; P169-S173 VanDerWaalsContact O-OG 3.13Å
170	T	98.8	Very high	94.7	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	27%	0.269	C	S	.	.	H	α-helix	trans	-67.4	-42.6	177.8	-54.8	0	0	0	0	112.3	V103 H135 L136 V137 H141 G166 I167 G168 S172 S173 K174	V103-T170 HydrophobicContact CB-CG2 3.9Å; V103-T170 HydrophobicContact CG1-CG2 3.77Å; H135-T170 HydrophobicContact CB-CG2 4.24Å; L136-T170 VanDerWaalsContact O-CG2 3.28Å; L136-T170 WeakPolarHBondContact O-CG2 3.28Å; V137-T170 HydrophobicContact CG2-CG2 4.06Å; H141-T170 PolarHBondContact ND1-OG1 3.23Å; G166-T170 VanDerWaalsContact O-CB 3.3Å; G166-T170 WeakPolarHBondContact O-CB 3.36Å; G166-T170 PolarHBondContact O-N 2.91Å; G166-T170 PolarHBondContact O-OG1 3.11Å; I167-T170 PolarHBondContact O-N 2.95Å; G168-T170 VanDerWaalsContact C-N 3.29Å; G168-T170 PolarHBondContact O-N 2.78Å; T170-S172 VanDerWaalsContact C-N 3.28Å; T170-S172 PolarHBondContact O-N 2.95Å; T170-S173 PolarHBondContact O-N 3.04Å; T170-K174 PolarHBondContact O-N 2.94Å
171	Y	98.6	Very high	95.5	Very high	28 Å²	28	49.6 Å²	49.6	11%	0.11	27%	0.273	C	S	.	.	H	α-helix	trans	-65.4	-32.2	173.9	-84.9	-77.2	0	0	0	112.1	G65 G101 V103 I167 G168 K174 A175 S272 S273	G65-Y171 PolarHBondContact N-OH 3.09Å; G65-Y171 VanDerWaalsContact N-OH 3.14Å; G65-Y171 PolarHBondContact O-OH 3.09Å; G101-Y171 PolarHBondContact O-OH 2.94Å; V103-Y171 HydrophobicContact CB-CE2 4.42Å; V103-Y171 HydrophobicContact CG1-CD1 4.44Å; V103-Y171 HydrophobicContact CG1-CD2 3.93Å; V103-Y171 HydrophobicContact CG1-CE1 4.18Å; V103-Y171 HydrophobicContact CG1-CE2 3.62Å; V103-Y171 HydrophobicContact CG1-CG 4.33Å; V103-Y171 HydrophobicContact CG2-CD2 4.35Å; V103-Y171 HydrophobicContact CG2-CE2 3.86Å; I167-Y171 HydrophobicContact CG2-CD2 3.71Å; I167-Y171 HydrophobicContact CG2-CE2 3.69Å; I167-Y171 WeakPolarHBondContact O-CD2 3.25Å; I167-Y171 PolarHBondContact O-N 2.78Å; G168-Y171 PolarHBondContact O-N 2.86Å; Y171-K174 HydrophobicContact CD1-CD 4.15Å; Y171-K174 HydrophobicContact CE1-CD 4.42Å; Y171-K174 WeakPolarHBondContact O-CB 3.44Å; Y171-K174 PolarHBondContact O-N 3.05Å; Y171-A175 WeakPolarHBondContact O-CB 3.27Å; Y171-A175 PolarHBondContact O-N 2.88Å; Y171-S272 WeakPolarHBondContact CD1-O 3.46Å; Y171-S273 WeakPolarHBondContact OH-CB 3.31Å
172	S	98.4	Very high	96.4	Very high	79 Å²	79	48.2 Å²	48.2	55%	0.552	26%	0.259	S	S	*	.	H	α-helix	trans	-62.8	-47.4	171.1	-170.5	0	0	0	0	111.3	G168 P169 T170 K174 A175 A176	G168-S172 PolarHBondContact O-N 2.87Å; P169-S172 WeakPolarHBondContact O-CB 3.12Å; P169-S172 PolarHBondContact O-N 2.91Å; T170-S172 VanDerWaalsContact C-N 3.28Å; T170-S172 PolarHBondContact O-N 2.95Å; S172-K174 VanDerWaalsContact C-N 3.29Å; S172-K174 PolarHBondContact O-N 3.45Å; S172-A175 PolarHBondContact O-N 3.38Å; S172-A175 VanDerWaalsContact O-N 3.15Å; S172-A176 WeakPolarHBondContact O-CB 3.37Å; S172-A176 PolarHBondContact O-N 2.8Å
173	S	98.7	Very high	97.1	Very high	5 Å²	5	47.5 Å²	47.5	4%	0.035	26%	0.255	C	S	.	.	H	α-helix	trans	-61	-36.4	174.7	-56.9	0	0	0	0	112.4	H141 P169 T170 R177 T178 G179	H141-S173 PolarHBondContact NE2-OG 2.89Å; P169-S173 PolarHBondContact O-N 2.82Å; P169-S173 PolarHBondContact O-OG 2.9Å; P169-S173 VanDerWaalsContact O-OG 3.13Å; T170-S173 PolarHBondContact O-N 3.04Å; S173-R177 PolarHBondContact O-N 2.71Å; S173-R177 VanDerWaalsContact O-N 3.09Å; S173-T178 PolarHBondContact O-N 3.23Å; S173-G179 PolarHBondContact O-N 3.23Å
174	K	98.7	Very high	97.9	Very high	66 Å²	66	45 Å²	45	29%	0.287	24%	0.239	S	C	.	.	H	α-helix	trans	-61.8	-49.7	171.6	174.3	173.5	-180	178.8	0	111.4	H135 T170 Y171 S172 A176 R177	H135-K174 WeakPolarHBondContact NE2-CG 3.28Å; T170-K174 PolarHBondContact O-N 2.94Å; Y171-K174 HydrophobicContact CD1-CD 4.15Å; Y171-K174 HydrophobicContact CE1-CD 4.42Å; Y171-K174 WeakPolarHBondContact O-CB 3.44Å; Y171-K174 PolarHBondContact O-N 3.05Å; S172-K174 VanDerWaalsContact C-N 3.29Å; S172-K174 PolarHBondContact O-N 3.45Å; K174-A176 VanDerWaalsContact C-N 3.33Å; K174-A176 PolarHBondContact O-N 2.59Å; K174-R177 PolarHBondContact O-N 3.04Å; K174-R177 VanDerWaalsContact O-N 3.08Å
175	A	98.5	Very high	98.2	Very high	79 Å²	79	39.7 Å²	39.7	65%	0.653	22%	0.216	S	C	*	.	H	α-helix	trans	-63.8	-37.8	178.4	0	0	0	0	0	112.2	Y171 S172 R177	Y171-A175 WeakPolarHBondContact O-CB 3.27Å; Y171-A175 PolarHBondContact O-N 2.88Å; S172-A175 PolarHBondContact O-N 3.38Å; S172-A175 VanDerWaalsContact O-N 3.15Å; A175-R177 PolarHBondContact O-N 2.96Å
176	A	98.4	Very high	98.4	Very high	49 Å²	49	37.1 Å²	37.1	41%	0.405	21%	0.206	S	C	.	.	H	α-helix	trans	-68.9	-17.1	174.7	0	0	0	0	0	113.1	S172 K174 T178	S172-A176 WeakPolarHBondContact O-CB 3.37Å; S172-A176 PolarHBondContact O-N 2.8Å; K174-A176 VanDerWaalsContact C-N 3.33Å; K174-A176 PolarHBondContact O-N 2.59Å; A176-T178 HydrophobicContact CB-CG2 4.26Å; A176-T178 PolarHBondContact O-N 3.13Å
177	R	98.4	Very high	98.3	Very high	222 Å²	222	41.3 Å²	41.3	84%	0.838	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.7	23.7	-173.3	-53.5	151.3	-70.6	-175.7	-3.5	113.1	S173 K174 A175	S173-R177 PolarHBondContact O-N 2.71Å; S173-R177 VanDerWaalsContact O-N 3.09Å; K174-R177 PolarHBondContact O-N 3.04Å; K174-R177 VanDerWaalsContact O-N 3.08Å; A175-R177 PolarHBondContact O-N 2.96Å
178	T	98.3	Very high	98.4	Very high	51 Å²	51	45.5 Å²	45.5	31%	0.313	26%	0.258	S	S	.	.			trans	-102.6	-13.3	175.3	58.3	0	0	0	0	112.4	S173 A176	S173-T178 PolarHBondContact O-N 3.23Å; A176-T178 HydrophobicContact CB-CG2 4.26Å; A176-T178 PolarHBondContact O-N 3.13Å
179	G	98.5	Very high	98.5	Very high	8 Å²	8	46.1 Å²	46.1	8%	0.082	25%	0.254	C	S	.	.			trans	-64.1	161.6	177.2	0	0	0	0	0	114	S173	S173-G179 PolarHBondContact O-N 3.23Å
180	L	98.8	Very high	98.5	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.005	28%	0.284	C	S	.	.			trans	-112.9	150.6	177.9	-61.5	178.6	0	0	0	110.8	L136 F138 D184 F192 R195 F196	L136-L180 PolarHBondContact N-O 3.33Å; F138-L180 HydrophobicContact CE2-CB 3.95Å; F138-L180 HydrophobicContact CE2-CD1 3.93Å; F138-L180 HydrophobicContact CE2-CG 4.2Å; F138-L180 HydrophobicContact CZ-CB 3.83Å; F138-L180 HydrophobicContact CZ-CD1 3.77Å; F138-L180 HydrophobicContact CZ-CG 4.27Å; L180-D184 HydrophobicContact CD2-CB 4.36Å; L180-F192 HydrophobicContact CB-CE2 4.24Å; L180-F192 HydrophobicContact CD1-CD2 4.01Å; L180-F192 HydrophobicContact CD1-CE2 3.66Å; L180-F192 HydrophobicContact CD1-CZ 4.23Å; L180-F192 HydrophobicContact CG-CE2 4.49Å; L180-R195 HydrophobicContact CD1-CB 4.41Å; L180-R195 HydrophobicContact CD2-CB 3.81Å; L180-R195 VanDerWaalsContact CD2-CZ 3.41Å; L180-R195 VanDerWaalsContact CD2-NH2 3.31Å; L180-F196 HydrophobicContact CD1-CB 3.96Å
181	R	98.9	Very high	98.5	Very high	81 Å²	81	56.5 Å²	56.5	31%	0.306	31%	0.306	S	S	.	.	B	Isolated β-bridge	trans	-119.9	170	-177.3	-61.6	175	-62.8	176	3.2	111.5	R133 A134 C183 D184 L185	R133-R181 WeakPolarHBondContact O-CD 3.47Å; A134-R181 CarbonylContact O-C 3.6Å; A134-R181 WeakPolarHBondContact O-CA 3.44Å; A134-R181 VanDerWaalsContact O-CB 3.3Å; A134-R181 WeakPolarHBondContact O-CB 3.4Å; R181-C183 VanDerWaalsContact C-N 3.26Å; R181-C183 PolarHBondContact O-N 2.84Å; R181-D184 WeakPolarHBondContact CB-OD2 3.36Å; R181-D184 PolarHBondContact N-OD2 2.93Å; R181-D184 IonicContact NE-OD2 2.9Å; R181-D184 WeakPolarHBondContact O-CB 3.43Å; R181-D184 PolarHBondContact O-N 2.92Å; R181-L185 PolarHBondContact O-N 2.99Å
182	I	98.9	Very high	98.5	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-56.6	-40.9	175.9	-61.2	-67.6	0	0	0	111.4	I104 L106 I130 A134 L136 D184 L185 L186 I228 V232	I104-I182 HydrophobicContact CD1-CD1 4.25Å; I104-I182 HydrophobicContact CD1-CG1 4.25Å; L106-I182 HydrophobicContact CD2-CD1 4.22Å; I130-I182 HydrophobicContact CG2-CG1 4.24Å; A134-I182 HydrophobicContact CB-CG1 4.12Å; A134-I182 PolarHBondContact O-N 2.74Å; L136-I182 HydrophobicContact CD2-CD1 3.58Å; L136-I182 HydrophobicContact CG-CD1 4.26Å; I182-D184 VanDerWaalsContact C-N 3.27Å; I182-D184 PolarHBondContact O-N 3.31Å; I182-L185 PolarHBondContact O-N 3.06Å; I182-L186 HydrophobicContact CG2-CD1 4.3Å; I182-L186 HydrophobicContact CG2-CG 4.49Å; I182-L186 WeakPolarHBondContact O-CG 3.29Å; I182-L186 PolarHBondContact O-N 3.24Å; I182-L186 VanDerWaalsContact O-N 3.15Å; I182-I228 HydrophobicContact CD1-CD1 4.05Å; I182-V232 HydrophobicContact CG2-CB 4.23Å; I182-V232 HydrophobicContact CG2-CG1 3.69Å; I182-V232 HydrophobicContact CG2-CG2 3.46Å; I182-V232 VanDerWaalsContact CG2-CG2 3.46Å
183	C	98.8	Very high	98.5	Very high	29 Å²	29	52.3 Å²	52.3	20%	0.196	28%	0.281	C	S	.	.	H	α-helix	trans	-61.1	-35.4	176.8	65.8	0	0	0	0	112.6	D132 R181 L186 S187	D132-C183 HydrophobicContact CB-CB 4.02Å; D132-C183 VanDerWaalsContact O-CB 3.31Å; D132-C183 WeakPolarHBondContact O-CB 3.43Å; D132-C183 PolarHBondContact O-N 3.07Å; R181-C183 VanDerWaalsContact C-N 3.26Å; R181-C183 PolarHBondContact O-N 2.84Å; C183-L186 PolarHBondContact O-N 3.04Å; C183-S187 WeakPolarHBondContact O-CB 3.23Å; C183-S187 PolarHBondContact O-N 3.35Å
184	D	98.8	Very high	98.5	Very high	19 Å²	19	54.6 Å²	54.6	10%	0.102	30%	0.296	C	S	.	.	H	α-helix	trans	-69	-41.5	178.8	-56.4	-58	0	0	0	110.2	L180 R181 I182 L186 S187 F192 R195	L180-D184 HydrophobicContact CD2-CB 4.36Å; R181-D184 WeakPolarHBondContact CB-OD2 3.36Å; R181-D184 PolarHBondContact N-OD2 2.93Å; R181-D184 IonicContact NE-OD2 2.9Å; R181-D184 WeakPolarHBondContact O-CB 3.43Å; R181-D184 PolarHBondContact O-N 2.92Å; I182-D184 VanDerWaalsContact C-N 3.27Å; I182-D184 PolarHBondContact O-N 3.31Å; D184-L186 VanDerWaalsContact C-N 3.31Å; D184-L186 PolarHBondContact O-N 3.33Å; D184-S187 PolarHBondContact O-N 2.82Å; D184-F192 HydrophobicContact CB-CD2 4.16Å; D184-R195 VanDerWaalsContact CG-NH1 3.3Å; D184-R195 IonicContact OD1-CZ 2.7Å; D184-R195 IonicContact OD1-NH1 2.99Å; D184-R195 PolarHBondContact OD1-NH1 3.15Å; D184-R195 IonicContact OD1-NH2 3.28Å; D184-R195 IonicContact OD2-NH1 2.73Å; D184-R195 IonicContact OD2-NH2 3.74Å
185	L	98.8	Very high	98.5	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	30%	0.298	C	S	.	.	H	α-helix	trans	-63.1	-34.7	177.4	176.4	66.2	0	0	0	113.3	L106 L136 R181 I182 F189 F192 L221 A225	L106-L185 HydrophobicContact CD1-CD2 3.43Å; L106-L185 VanDerWaalsContact CD1-CD2 3.43Å; L136-L185 HydrophobicContact CD1-CB 3.96Å; L136-L185 HydrophobicContact CD1-CD2 4.3Å; R181-L185 PolarHBondContact O-N 2.99Å; I182-L185 PolarHBondContact O-N 3.06Å; L185-F189 HydrophobicContact CD1-CE2 4.02Å; L185-F192 HydrophobicContact CB-CD2 4.19Å; L185-F192 HydrophobicContact CB-CE2 3.89Å; L185-F192 HydrophobicContact CB-CZ 4.33Å; L185-F192 HydrophobicContact CD1-CD1 4.14Å; L185-F192 HydrophobicContact CD1-CD2 4.46Å; L185-F192 HydrophobicContact CD1-CE1 3.68Å; L185-F192 HydrophobicContact CD1-CE2 4.02Å; L185-F192 HydrophobicContact CD1-CZ 3.62Å; L185-L221 HydrophobicContact CD1-CB 4.19Å; L185-A225 HydrophobicContact CD1-CB 4Å; L185-A225 HydrophobicContact CD2-CB 4.33Å; L185-A225 HydrophobicContact CG-CB 3.88Å
186	L	98.5	Very high	98.5	Very high	27 Å²	27	51.7 Å²	51.7	14%	0.141	27%	0.267	C	S	.	.	H	α-helix	trans	-89.7	-7.1	-176.2	-65.7	-169.5	0	0	0	114.6	I182 C183 D184 A225 I228 R229 V232	I182-L186 HydrophobicContact CG2-CD1 4.3Å; I182-L186 HydrophobicContact CG2-CG 4.49Å; I182-L186 WeakPolarHBondContact O-CG 3.29Å; I182-L186 PolarHBondContact O-N 3.24Å; I182-L186 VanDerWaalsContact O-N 3.15Å; C183-L186 PolarHBondContact O-N 3.04Å; D184-L186 VanDerWaalsContact C-N 3.31Å; D184-L186 PolarHBondContact O-N 3.33Å; L186-A225 HydrophobicContact CD2-CB 4.08Å; L186-A225 VanDerWaalsContact CD2-O 3.27Å; L186-A225 WeakPolarHBondContact CD2-O 3.49Å; L186-I228 HydrophobicContact CD2-CG2 3.96Å; L186-R229 HydrophobicContact CD1-CB 4.5Å; L186-R229 HydrophobicContact CD1-CG 4.46Å; L186-R229 HydrophobicContact CD2-CB 4.13Å; L186-R229 PolarHBondContact O-NH1 3.13Å; L186-V232 HydrophobicContact CD1-CB 3.61Å; L186-V232 HydrophobicContact CD1-CG1 3.76Å; L186-V232 HydrophobicContact CD1-CG2 3.68Å
187	S	96.7	Very high	98.5	Very high	88 Å²	88	52.5 Å²	52.5	62%	0.615	26%	0.261	S	S	*	.	S	Bend	trans	-81.8	-147.6	177.4	-166.4	0	0	0	0	110.7	C183 D184 F189	C183-S187 WeakPolarHBondContact O-CB 3.23Å; C183-S187 PolarHBondContact O-N 3.35Å; D184-S187 PolarHBondContact O-N 2.82Å; S187-F189 PolarHBondContact O-N 3.31Å
188	D	98.2	Very high	98.5	Very high	93 Å²	93	46 Å²	46	50%	0.497	24%	0.243	S	C	.	.			trans	-62.3	115.5	169.1	-173.5	-12.1	0	0	0	110.9	D190 E191 F192	D188-D190 VanDerWaalsContact C-N 3.29Å; D188-D190 PolarHBondContact O-N 2.77Å; D188-D190 PolarHBondContact OD1-N 2.84Å; D188-E191 HydrophobicContact CB-CB 4.3Å; D188-E191 PolarHBondContact O-N 2.97Å; D188-F192 PolarHBondContact O-N 3.23Å
189	F	98.3	Very high	98.5	Very high	35 Å²	35	43.8 Å²	43.8	15%	0.154	23%	0.229	C	C	.	.	H	α-helix	trans	-70.7	-24.3	-176.2	-164.7	-96.5	0	0	0	113	L185 S187 F192 S193 L218 K222	L185-F189 HydrophobicContact CD1-CE2 4.02Å; S187-F189 PolarHBondContact O-N 3.31Å; F189-F192 HydrophobicContact CD2-CD1 4.1Å; F189-F192 AromaticContact CE2-CD1 3.76Å; F189-F192 HydrophobicContact CE2-CD1 3.76Å; F189-F192 HydrophobicContact CE2-CE1 4.1Å; F189-F192 HydrophobicContact CZ-CD1 4.19Å; F189-F192 HydrophobicContact CZ-CE1 4.45Å; F189-S193 WeakPolarHBondContact CD1-OG 3.37Å; F189-S193 VanDerWaalsContact CE1-OG 3.27Å; F189-S193 WeakPolarHBondContact CE1-OG 3.25Å; F189-S193 VanDerWaalsContact O-CB 3.27Å; F189-S193 WeakPolarHBondContact O-CB 3.48Å; F189-S193 PolarHBondContact O-N 3.15Å; F189-S193 PolarHBondContact O-OG 2.98Å; F189-L218 WeakPolarHBondContact CZ-O 3.4Å; F189-K222 HydrophobicContact CD1-CD 3.98Å; F189-K222 HydrophobicContact CD1-CG 4.28Å; F189-K222 HydrophobicContact CD2-CG 4.32Å; F189-K222 HydrophobicContact CE1-CB 3.91Å; F189-K222 HydrophobicContact CE1-CD 3.84Å; F189-K222 HydrophobicContact CE1-CG 4.02Å; F189-K222 HydrophobicContact CE2-CB 3.8Å; F189-K222 HydrophobicContact CE2-CG 4.07Å; F189-K222 HydrophobicContact CG-CG 4.43Å; F189-K222 HydrophobicContact CZ-CB 3.45Å; F189-K222 VanDerWaalsContact CZ-CB 3.45Å; F189-K222 HydrophobicContact CZ-CD 4.26Å; F189-K222 HydrophobicContact CZ-CG 3.93Å
190	D	98.3	Very high	98.5	Very high	122 Å²	122	43.4 Å²	43.4	65%	0.652	23%	0.225	S	C	*	.	H	α-helix	trans	-73.4	-42.4	178.4	-68.9	-24.7	0	0	0	110.4	D188 S193 S194	D188-D190 VanDerWaalsContact C-N 3.29Å; D188-D190 PolarHBondContact O-N 2.77Å; D188-D190 PolarHBondContact OD1-N 2.84Å; D190-S193 WeakPolarHBondContact O-CB 3.41Å; D190-S193 PolarHBondContact O-N 2.88Å; D190-S194 PolarHBondContact O-N 2.98Å
191	E	98.3	Very high	98.5	Very high	104 Å²	104	47.8 Å²	47.8	49%	0.486	25%	0.246	S	C	.	.	H	α-helix	trans	-65.1	-42	172.8	-177.8	56.4	-151.8	0	0	111.5	D188 S193 S194 R195	D188-E191 HydrophobicContact CB-CB 4.3Å; D188-E191 PolarHBondContact O-N 2.97Å; E191-S193 VanDerWaalsContact C-N 3.3Å; E191-S193 PolarHBondContact O-N 2.98Å; E191-S194 PolarHBondContact O-N 2.89Å; E191-R195 WeakPolarHBondContact O-CG 3.24Å; E191-R195 PolarHBondContact O-N 3.49Å; E191-R195 WeakPolarHBondContact OE1-CD 3.28Å
192	F	98.8	Very high	98.4	Very high	3 Å²	3	48.3 Å²	48.3	1%	0.013	25%	0.252	C	S	.	.	H	α-helix	trans	-56.4	-46.3	171.6	173.6	-95.7	0	0	0	111.5	L136 F138 L180 D184 L185 D188 F189 S194 R195 F196 L218 L221	L136-F192 HydrophobicContact CD1-CE2 4.02Å; L136-F192 HydrophobicContact CD1-CZ 4.35Å; F138-F192 HydrophobicContact CE1-CZ 4.13Å; F138-F192 HydrophobicContact CZ-CE2 4.32Å; F138-F192 HydrophobicContact CZ-CZ 4.1Å; L180-F192 HydrophobicContact CB-CE2 4.24Å; L180-F192 HydrophobicContact CD1-CD2 4.01Å; L180-F192 HydrophobicContact CD1-CE2 3.66Å; L180-F192 HydrophobicContact CD1-CZ 4.23Å; L180-F192 HydrophobicContact CG-CE2 4.49Å; D184-F192 HydrophobicContact CB-CD2 4.16Å; L185-F192 HydrophobicContact CB-CD2 4.19Å; L185-F192 HydrophobicContact CB-CE2 3.89Å; L185-F192 HydrophobicContact CB-CZ 4.33Å; L185-F192 HydrophobicContact CD1-CD1 4.14Å; L185-F192 HydrophobicContact CD1-CD2 4.46Å; L185-F192 HydrophobicContact CD1-CE1 3.68Å; L185-F192 HydrophobicContact CD1-CE2 4.02Å; L185-F192 HydrophobicContact CD1-CZ 3.62Å; D188-F192 PolarHBondContact O-N 3.23Å; F189-F192 HydrophobicContact CD2-CD1 4.1Å; F189-F192 AromaticContact CE2-CD1 3.76Å; F189-F192 HydrophobicContact CE2-CD1 3.76Å; F189-F192 HydrophobicContact CE2-CE1 4.1Å; F189-F192 HydrophobicContact CZ-CD1 4.19Å; F189-F192 HydrophobicContact CZ-CE1 4.45Å; F192-S194 PolarHBondContact O-N 3.02Å; F192-R195 PolarHBondContact O-N 3.18Å; F192-F196 WeakPolarHBondContact O-CB 3.41Å; F192-F196 PolarHBondContact O-N 3.41Å; F192-L218 HydrophobicContact CD1-CD2 4.28Å; F192-L218 HydrophobicContact CE1-CD2 4Å; F192-L221 HydrophobicContact CE1-CB 4.34Å; F192-L221 HydrophobicContact CE1-CD1 4.07Å; F192-L221 HydrophobicContact CZ-CD1 4.07Å
193	S	98.8	Very high	98.4	Very high	16 Å²	16	48.8 Å²	48.8	11%	0.112	25%	0.254	C	S	.	.	H	α-helix	trans	-63.6	-42.1	-179.4	-64.2	0	0	0	0	112	F189 D190 E191 F196 K197	F189-S193 WeakPolarHBondContact CD1-OG 3.37Å; F189-S193 VanDerWaalsContact CE1-OG 3.27Å; F189-S193 WeakPolarHBondContact CE1-OG 3.25Å; F189-S193 VanDerWaalsContact O-CB 3.27Å; F189-S193 WeakPolarHBondContact O-CB 3.48Å; F189-S193 PolarHBondContact O-N 3.15Å; F189-S193 PolarHBondContact O-OG 2.98Å; D190-S193 WeakPolarHBondContact O-CB 3.41Å; D190-S193 PolarHBondContact O-N 2.88Å; E191-S193 VanDerWaalsContact C-N 3.3Å; E191-S193 PolarHBondContact O-N 2.98Å; S193-F196 PolarHBondContact O-N 3.43Å; S193-K197 VanDerWaalsContact O-CG 3.26Å; S193-K197 WeakPolarHBondContact O-CG 3.36Å; S193-K197 PolarHBondContact O-N 2.89Å
194	S	98.7	Very high	98.3	Very high	52 Å²	52	50.2 Å²	50.2	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-58.5	-50.5	173.9	177.9	0	0	0	0	111.5	D190 E191 F192 F196 K197 N198	D190-S194 PolarHBondContact O-N 2.98Å; E191-S194 PolarHBondContact O-N 2.89Å; F192-S194 PolarHBondContact O-N 3.02Å; S194-F196 PolarHBondContact O-N 2.91Å; S194-K197 WeakPolarHBondContact O-CB 3.21Å; S194-K197 PolarHBondContact O-N 2.83Å; S194-N198 VanDerWaalsContact O-CG 3.32Å; S194-N198 PolarHBondContact O-N 3.25Å; S194-N198 PolarHBondContact O-ND2 3.08Å
195	R	98.8	Very high	98.2	Very high	84 Å²	84	54 Å²	54	32%	0.317	29%	0.285	S	S	.	.	H	α-helix	trans	-66.2	-36.6	179.7	-66.1	172.5	60.7	-162.5	-4.1	112.5	L180 D184 E191 F192 N198 L199	L180-R195 HydrophobicContact CD1-CB 4.41Å; L180-R195 HydrophobicContact CD2-CB 3.81Å; L180-R195 VanDerWaalsContact CD2-CZ 3.41Å; L180-R195 VanDerWaalsContact CD2-NH2 3.31Å; D184-R195 VanDerWaalsContact CG-NH1 3.3Å; D184-R195 IonicContact OD1-CZ 2.7Å; D184-R195 IonicContact OD1-NH1 2.99Å; D184-R195 PolarHBondContact OD1-NH1 3.15Å; D184-R195 IonicContact OD1-NH2 3.28Å; D184-R195 IonicContact OD2-NH1 2.73Å; D184-R195 IonicContact OD2-NH2 3.74Å; E191-R195 WeakPolarHBondContact O-CG 3.24Å; E191-R195 PolarHBondContact O-N 3.49Å; E191-R195 WeakPolarHBondContact OE1-CD 3.28Å; F192-R195 PolarHBondContact O-N 3.18Å; R195-N198 PolarHBondContact O-N 3.22Å; R195-L199 PolarHBondContact O-N 3.47Å
196	F	98.8	Very high	98.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-46.6	174.4	175.9	-85.7	0	0	0	111.3	F138 F140 L180 F192 S193 S194 N198 L199 A200 I214 Q217 L218 L221	F138-F196 HydrophobicContact CB-CE2 4.36Å; F138-F196 HydrophobicContact CD1-CD2 4.04Å; F138-F196 AromaticContact CD1-CE2 3.6Å; F138-F196 HydrophobicContact CD1-CE2 3.6Å; F138-F196 HydrophobicContact CD2-CD2 4.31Å; F138-F196 HydrophobicContact CD2-CE2 4.24Å; F138-F196 AromaticContact CE1-CD2 3.81Å; F138-F196 HydrophobicContact CE1-CD2 3.81Å; F138-F196 AromaticContact CE1-CE2 3.85Å; F138-F196 HydrophobicContact CE1-CE2 3.85Å; F138-F196 HydrophobicContact CE2-CD2 4.09Å; F138-F196 HydrophobicContact CE2-CE2 4.44Å; F138-F196 HydrophobicContact CG-CD2 4.28Å; F138-F196 AromaticContact CG-CE2 3.81Å; F138-F196 HydrophobicContact CG-CE2 3.81Å; F138-F196 AromaticContact CZ-CD2 3.83Å; F138-F196 HydrophobicContact CZ-CD2 3.83Å; F138-F196 HydrophobicContact CZ-CE2 4.26Å; F140-F196 HydrophobicContact CD1-CE2 4.36Å; F140-F196 HydrophobicContact CD1-CZ 4.17Å; F140-F196 HydrophobicContact CE1-CD2 4.21Å; F140-F196 HydrophobicContact CE1-CE1 4.47Å; F140-F196 AromaticContact CE1-CE2 3.55Å; F140-F196 HydrophobicContact CE1-CE2 3.55Å; F140-F196 AromaticContact CE1-CZ 3.7Å; F140-F196 HydrophobicContact CE1-CZ 3.7Å; F140-F196 HydrophobicContact CZ-CE2 4.44Å; L180-F196 HydrophobicContact CD1-CB 3.96Å; F192-F196 WeakPolarHBondContact O-CB 3.41Å; F192-F196 PolarHBondContact O-N 3.41Å; S193-F196 PolarHBondContact O-N 3.43Å; S194-F196 PolarHBondContact O-N 2.91Å; F196-N198 VanDerWaalsContact C-N 3.33Å; F196-N198 PolarHBondContact O-N 3.43Å; F196-L199 PolarHBondContact O-N 3.3Å; F196-A200 WeakPolarHBondContact O-CB 3.32Å; F196-A200 PolarHBondContact O-N 2.86Å; F196-I214 HydrophobicContact CD1-CG2 4.37Å; F196-I214 HydrophobicContact CE1-CG2 4.19Å; F196-Q217 HydrophobicContact CE1-CB 4.36Å; F196-Q217 HydrophobicContact CZ-CB 3.77Å; F196-L218 HydrophobicContact CB-CD2 3.85Å; F196-L218 HydrophobicContact CD1-CD1 4.1Å; F196-L218 HydrophobicContact CD1-CD2 3.56Å; F196-L218 HydrophobicContact CD1-CG 3.66Å; F196-L218 HydrophobicContact CD2-CD2 4.34Å; F196-L218 HydrophobicContact CE1-CD2 4.19Å; F196-L218 HydrophobicContact CE1-CG 3.94Å; F196-L218 HydrophobicContact CG-CD2 3.66Å; F196-L218 HydrophobicContact CG-CG 4.29Å; F196-L221 HydrophobicContact CD2-CD1 3.93Å; F196-L221 HydrophobicContact CE2-CD1 3.6Å; F196-L221 HydrophobicContact CZ-CD1 4.27Å
197	K	98.8	Very high	97.9	Very high	66 Å²	66	59.3 Å²	59.3	29%	0.287	31%	0.311	S	S	.	.	H	α-helix	trans	-57.9	-46.1	176.3	-74.5	173.5	-179.6	-168.5	0	111.5	S193 S194 L199 A200 H201 I214 E215 L218	S193-K197 VanDerWaalsContact O-CG 3.26Å; S193-K197 WeakPolarHBondContact O-CG 3.36Å; S193-K197 PolarHBondContact O-N 2.89Å; S194-K197 WeakPolarHBondContact O-CB 3.21Å; S194-K197 PolarHBondContact O-N 2.83Å; K197-L199 PolarHBondContact O-N 2.97Å; K197-A200 PolarHBondContact O-N 3.4Å; K197-H201 WeakPolarHBondContact O-CB 3.34Å; K197-H201 VanDerWaalsContact O-CG 3.24Å; K197-H201 PolarHBondContact O-N 3.49Å; K197-H201 PolarHBondContact O-ND1 3.2Å; K197-I214 HydrophobicContact CD-CG2 4.37Å; K197-I214 HydrophobicContact CG-CG2 3.62Å; K197-E215 WeakPolarHBondContact CE-OE1 3.42Å; K197-E215 IonicContact NZ-OE1 3.86Å; K197-E215 PolarHBondContact NZ-OE1 3.38Å; K197-L218 HydrophobicContact CG-CD1 4.28Å
198	N	98.6	Very high	97.7	Very high	87 Å²	87	60.8 Å²	60.8	47%	0.465	32%	0.318	S	S	.	.	H	α-helix	trans	-61	-45.9	178.2	-68.1	-25.4	0	0	0	112	S194 R195 F196 H201 Q202	S194-N198 VanDerWaalsContact O-CG 3.32Å; S194-N198 PolarHBondContact O-N 3.25Å; S194-N198 PolarHBondContact O-ND2 3.08Å; R195-N198 PolarHBondContact O-N 3.22Å; F196-N198 VanDerWaalsContact C-N 3.33Å; F196-N198 PolarHBondContact O-N 3.43Å; N198-H201 PolarHBondContact O-N 2.87Å; N198-Q202 VanDerWaalsContact O-CG 3.3Å; N198-Q202 WeakPolarHBondContact O-CG 3.44Å; N198-Q202 PolarHBondContact O-N 3.26Å
199	L	98.6	Very high	97.5	Very high	3 Å²	3	61.5 Å²	61.5	2%	0.016	33%	0.326	C	S	.	.	H	α-helix	trans	-63.7	-44	177.1	-178.1	60.5	0	0	0	111.6	F138 F140 R195 F196 K197 Q202 H203	F138-L199 HydrophobicContact CD2-CD2 4.23Å; F138-L199 HydrophobicContact CE2-CD2 4.08Å; F140-L199 HydrophobicContact CE2-CD2 4.25Å; F140-L199 HydrophobicContact CE2-CG 4.09Å; F140-L199 HydrophobicContact CZ-CD2 3.94Å; F140-L199 HydrophobicContact CZ-CG 3.94Å; R195-L199 PolarHBondContact O-N 3.47Å; F196-L199 PolarHBondContact O-N 3.3Å; K197-L199 PolarHBondContact O-N 2.97Å; L199-Q202 WeakPolarHBondContact O-CB 3.5Å; L199-Q202 PolarHBondContact O-N 2.82Å; L199-H203 PolarHBondContact O-CD2 3.26Å; L199-H203 VanDerWaalsContact O-CD2 3.26Å; L199-H203 PolarHBondContact O-N 2.74Å
200	A	98.5	Very high	97.4	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-59.3	-48	176.5	0	0	0	0	0	111.7	F140 F196 K197 Q202 H203 Q204 I212 I214	F140-A200 HydrophobicContact CD1-CB 4.48Å; F140-A200 HydrophobicContact CE1-CB 4.22Å; F196-A200 WeakPolarHBondContact O-CB 3.32Å; F196-A200 PolarHBondContact O-N 2.86Å; K197-A200 PolarHBondContact O-N 3.4Å; A200-Q202 VanDerWaalsContact C-N 3.35Å; A200-Q202 PolarHBondContact O-N 2.84Å; A200-H203 PolarHBondContact O-N 3.49Å; A200-H203 VanDerWaalsContact O-N 3.14Å; A200-Q204 WeakPolarHBondContact O-CG 3.35Å; A200-Q204 PolarHBondContact O-N 3.43Å; A200-I212 HydrophobicContact CB-CD1 3.82Å; A200-I212 HydrophobicContact CB-CG2 4.4Å; A200-I214 HydrophobicContact CB-CD1 4.07Å; A200-I214 HydrophobicContact CB-CG1 4.12Å
201	H	98	Very high	97.3	Very high	93 Å²	93	63.1 Å²	63.1	43%	0.431	33%	0.33	S	S	.	.	H	α-helix	trans	-62.1	-39.1	176.9	-67.5	156.5	0	0	0	112.7	K197 N198 H203 Q204 S205	K197-H201 WeakPolarHBondContact O-CB 3.34Å; K197-H201 VanDerWaalsContact O-CG 3.24Å; K197-H201 PolarHBondContact O-N 3.49Å; K197-H201 PolarHBondContact O-ND1 3.2Å; N198-H201 PolarHBondContact O-N 2.87Å; H201-H203 VanDerWaalsContact C-N 3.32Å; H201-H203 PolarHBondContact O-N 3.13Å; H201-Q204 PolarHBondContact CD2-OE1 3.18Å; H201-Q204 PolarHBondContact O-N 2.89Å; H201-S205 WeakPolarHBondContact O-CB 3.37Å; H201-S205 PolarHBondContact O-N 2.86Å; H201-S205 PolarHBondContact O-OG 2.99Å
202	Q	97.6	Very high	97.2	Very high	92 Å²	92	59.2 Å²	59.2	43%	0.43	31%	0.313	S	S	.	.	H	α-helix	trans	-59.7	-43.9	173.4	-74.6	173.1	-5.2	0	0	111.3	N198 L199 A200 S205 M206	N198-Q202 VanDerWaalsContact O-CG 3.3Å; N198-Q202 WeakPolarHBondContact O-CG 3.44Å; N198-Q202 PolarHBondContact O-N 3.26Å; L199-Q202 WeakPolarHBondContact O-CB 3.5Å; L199-Q202 PolarHBondContact O-N 2.82Å; A200-Q202 VanDerWaalsContact C-N 3.35Å; A200-Q202 PolarHBondContact O-N 2.84Å; Q202-S205 PolarHBondContact O-N 3.4Å; Q202-M206 PolarHBondContact O-N 3.29Å; Q202-M206 VanDerWaalsContact O-N 3.11Å
203	H	97.9	Very high	97.2	Very high	11 Å²	11	64.2 Å²	64.2	5%	0.051	34%	0.339	C	S	.	.	H	α-helix	trans	-64.5	-42.4	175.3	-82.5	-77.6	0	0	0	112.6	F140 H141 V144 L199 A200 H201 S205 M206 F207 L210	F140-H203 HydrophobicContact CD2-CB 4.38Å; F140-H203 AromaticContact CD2-CD2 3.79Å; F140-H203 AromaticContact CE2-CD2 3.47Å; F140-H203 VanDerWaalsContact CE2-CD2 3.47Å; F140-H203 WeakPolarHBondContact CE2-CD2 3.44Å; F140-H203 AromaticContact CE2-NE2 3.9Å; H141-H203 AromaticContact CD2-CE1 3.89Å; H141-H203 AromaticContact CD2-NE2 3.56Å; H141-H203 AromaticContact NE2-NE2 3.54Å; V144-H203 HydrophobicContact CG2-CB 4.49Å; L199-H203 PolarHBondContact O-CD2 3.26Å; L199-H203 VanDerWaalsContact O-CD2 3.26Å; L199-H203 PolarHBondContact O-N 2.74Å; A200-H203 PolarHBondContact O-N 3.49Å; A200-H203 VanDerWaalsContact O-N 3.14Å; H201-H203 VanDerWaalsContact C-N 3.32Å; H201-H203 PolarHBondContact O-N 3.13Å; H203-S205 VanDerWaalsContact C-N 3.27Å; H203-S205 PolarHBondContact O-N 3.06Å; H203-M206 PolarHBondContact O-N 3.01Å; H203-F207 WeakPolarHBondContact O-CD2 3.48Å; H203-F207 PolarHBondContact O-N 3.35Å; H203-L210 HydrophobicContact CB-CD2 3.76Å
204	Q	97.4	Very high	97.2	Very high	59 Å²	59	64.5 Å²	64.5	28%	0.276	34%	0.34	S	S	.	.	H	α-helix	trans	-62.8	-34.7	175.1	-67.5	-179	-64.6	0	0	112.5	A200 H201 M206 F207 L210 I212	A200-Q204 WeakPolarHBondContact O-CG 3.35Å; A200-Q204 PolarHBondContact O-N 3.43Å; H201-Q204 PolarHBondContact CD2-OE1 3.18Å; H201-Q204 PolarHBondContact O-N 2.89Å; Q204-M206 VanDerWaalsContact C-N 3.35Å; Q204-F207 CarbonylContact O-C 3.57Å; Q204-F207 PolarHBondContact O-N 2.95Å; Q204-F207 VanDerWaalsContact O-O 3.13Å; Q204-L210 HydrophobicContact CG-CD2 4.43Å; Q204-L210 PolarHBondContact NE2-O 3.12Å; Q204-I212 HydrophobicContact CG-CD1 3.64Å; Q204-I212 HydrophobicContact CG-CG1 3.99Å
205	S	96.6	Very high	97.1	Very high	97 Å²	97	67.5 Å²	67.5	68%	0.678	35%	0.348	S	S	*	.	H	α-helix	trans	-66.4	-37.4	175.9	-55.8	0	0	0	0	112	H201 Q202 H203	H201-S205 WeakPolarHBondContact O-CB 3.37Å; H201-S205 PolarHBondContact O-N 2.86Å; H201-S205 PolarHBondContact O-OG 2.99Å; Q202-S205 PolarHBondContact O-N 3.4Å; H203-S205 VanDerWaalsContact C-N 3.27Å; H203-S205 PolarHBondContact O-N 3.06Å
206	M	95.1	Very high	97.1	Very high	116 Å²	116	64.7 Å²	64.7	57%	0.571	35%	0.345	S	S	*	.	H	α-helix	trans	-77.4	-30	176.4	-69.2	-174.3	-69.3	0	0	112.9	Q202 H203 Q204	Q202-M206 PolarHBondContact O-N 3.29Å; Q202-M206 VanDerWaalsContact O-N 3.11Å; H203-M206 PolarHBondContact O-N 3.01Å; Q204-M206 VanDerWaalsContact C-N 3.35Å
207	F	95.4	Very high	97.1	Very high	25 Å²	25	65.9 Å²	65.9	11%	0.11	35%	0.351	C	S	.	.			trans	-128.2	85.4	-176.8	-59.9	-81.9	0	0	0	109.5	V144 L147 Q148 H203 Q204 T209 L210	V144-F207 HydrophobicContact CB-CE2 4.5Å; V144-F207 HydrophobicContact CG1-CD2 3.94Å; V144-F207 HydrophobicContact CG1-CE1 4.3Å; V144-F207 HydrophobicContact CG1-CE2 3.46Å; V144-F207 VanDerWaalsContact CG1-CE2 3.46Å; V144-F207 HydrophobicContact CG1-CZ 3.67Å; V144-F207 HydrophobicContact CG2-CD2 3.85Å; V144-F207 HydrophobicContact CG2-CE2 4.2Å; V144-F207 HydrophobicContact CG2-CG 4.35Å; L147-F207 HydrophobicContact CD1-CB 4.31Å; Q148-F207 HydrophobicContact CG-CE1 3.75Å; Q148-F207 HydrophobicContact CG-CZ 3.81Å; H203-F207 WeakPolarHBondContact O-CD2 3.48Å; H203-F207 PolarHBondContact O-N 3.35Å; Q204-F207 CarbonylContact O-C 3.57Å; Q204-F207 PolarHBondContact O-N 2.95Å; Q204-F207 VanDerWaalsContact O-O 3.13Å; F207-T209 PolarHBondContact O-N 3.27Å; F207-L210 HydrophobicContact CB-CB 3.89Å; F207-L210 HydrophobicContact CB-CD2 4.46Å; F207-L210 WeakPolarHBondContact O-CB 3.21Å; F207-L210 PolarHBondContact O-N 2.82Å
208	P	92.6	Very high	97.1	Very high	118 Å²	118	63 Å²	63	77%	0.766	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-20.1	-173.1	-26.9	35.7	0	0	0	115.2	L210	P208-L210 VanDerWaalsContact C-N 3.32Å
209	T	93.9	Very high	97.1	Very high	109 Å²	109	67.1 Å²	67.1	67%	0.669	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	0.8	175.9	58.3	0	0	0	0	113.4	F207 E211	F207-T209 PolarHBondContact O-N 3.27Å; T209-E211 PolarHBondContact O-N 2.96Å
210	L	96	Very high	97.1	Very high	10 Å²	10	72.9 Å²	72.9	5%	0.052	37%	0.374	C	S	.	.			trans	-81.9	113.4	-179.9	-179	66.9	0	0	0	110.6	F140 A143 V144 L147 H203 Q204 F207 P208 I212	F140-L210 HydrophobicContact CB-CD2 4.46Å; A143-L210 HydrophobicContact CB-CD1 3.51Å; V144-L210 HydrophobicContact CG2-CD1 4.15Å; V144-L210 HydrophobicContact CG2-CD2 3.55Å; V144-L210 HydrophobicContact CG2-CG 4.46Å; L147-L210 HydrophobicContact CD1-CB 4.21Å; L147-L210 HydrophobicContact CD1-CD1 4.17Å; H203-L210 HydrophobicContact CB-CD2 3.76Å; Q204-L210 HydrophobicContact CG-CD2 4.43Å; Q204-L210 PolarHBondContact NE2-O 3.12Å; F207-L210 HydrophobicContact CB-CB 3.89Å; F207-L210 HydrophobicContact CB-CD2 4.46Å; F207-L210 WeakPolarHBondContact O-CB 3.21Å; F207-L210 PolarHBondContact O-N 2.82Å; P208-L210 VanDerWaalsContact C-N 3.32Å; L210-I212 HydrophobicContact CD1-CG1 4.47Å; L210-I212 HydrophobicContact CD2-CD1 3.78Å; L210-I212 HydrophobicContact CD2-CG1 4.11Å; L210-I212 HydrophobicContact CG-CD1 4.11Å; L210-I212 HydrophobicContact CG-CG1 3.86Å
211	E	95.6	Very high	97.1	Very high	181 Å²	181	73.5 Å²	73.5	85%	0.846	38%	0.377	S	S	*	.			trans	-93.1	134.2	170.7	-63.8	-175.3	176.5	0	0	110.4	T209	T209-E211 PolarHBondContact O-N 2.96Å
212	I	97.6	Very high	97.1	Very high	22 Å²	22	74.7 Å²	74.7	11%	0.113	38%	0.381	C	S	.	.			trans	-134.2	117.1	179.7	-50.4	-179.6	0	0	0	108.8	F140 A200 Q204 L210 I214	F140-I212 HydrophobicContact CB-CD1 3.58Å; F140-I212 HydrophobicContact CB-CG1 3.9Å; F140-I212 HydrophobicContact CB-CG2 4.42Å; F140-I212 HydrophobicContact CD1-CD1 4.19Å; F140-I212 HydrophobicContact CD1-CG2 4.22Å; F140-I212 HydrophobicContact CG-CD1 3.93Å; A200-I212 HydrophobicContact CB-CD1 3.82Å; A200-I212 HydrophobicContact CB-CG2 4.4Å; Q204-I212 HydrophobicContact CG-CD1 3.64Å; Q204-I212 HydrophobicContact CG-CG1 3.99Å; L210-I212 HydrophobicContact CD1-CG1 4.47Å; L210-I212 HydrophobicContact CD2-CD1 3.78Å; L210-I212 HydrophobicContact CD2-CG1 4.11Å; L210-I212 HydrophobicContact CG-CD1 4.11Å; L210-I212 HydrophobicContact CG-CG1 3.86Å; I212-I214 VanDerWaalsContact C-N 3.32Å; I212-I214 HydrophobicContact CB-CG1 4.29Å; I212-I214 HydrophobicContact CG2-CG1 3.82Å; I212-I214 PolarHBondContact O-N 2.79Å; I212-I214 VanDerWaalsContact O-N 3.08Å
213	D	97.8	Very high	97.1	Very high	107 Å²	107	72.6 Å²	72.6	57%	0.572	38%	0.384	S	S	*	.			trans	-77.7	84.6	163.8	177.2	15	0	0	0	109.6	G216 Q217	D213-G216 PolarHBondContact OD1-N 2.9Å; D213-G216 WeakPolarHBondContact OD2-CA 3.17Å; D213-Q217 WeakPolarHBondContact O-CB 3.06Å; D213-Q217 VanDerWaalsContact O-CG 3.3Å; D213-Q217 WeakPolarHBondContact O-CG 3.21Å; D213-Q217 PolarHBondContact O-N 3.12Å
214	I	98.3	Very high	97.1	Very high	23 Å²	23	73.1 Å²	73.1	12%	0.118	39%	0.386	C	S	.	.	H	α-helix	trans	-59.9	-50.5	-176	-71.8	177.1	0	0	0	111.2	F196 K197 A200 I212 Q217 L218	F196-I214 HydrophobicContact CD1-CG2 4.37Å; F196-I214 HydrophobicContact CE1-CG2 4.19Å; K197-I214 HydrophobicContact CD-CG2 4.37Å; K197-I214 HydrophobicContact CG-CG2 3.62Å; A200-I214 HydrophobicContact CB-CD1 4.07Å; A200-I214 HydrophobicContact CB-CG1 4.12Å; I212-I214 VanDerWaalsContact C-N 3.32Å; I212-I214 HydrophobicContact CB-CG1 4.29Å; I212-I214 HydrophobicContact CG2-CG1 3.82Å; I212-I214 PolarHBondContact O-N 2.79Å; I212-I214 VanDerWaalsContact O-N 3.08Å; I214-Q217 PolarHBondContact O-N 2.97Å; I214-L218 HydrophobicContact CG2-CD1 3.99Å; I214-L218 WeakPolarHBondContact O-CB 3.35Å; I214-L218 WeakPolarHBondContact O-CG 3.25Å; I214-L218 PolarHBondContact O-N 3.04Å
215	E	98.3	Very high	97.2	Very high	114 Å²	114	70.4 Å²	70.4	53%	0.533	37%	0.374	S	S	.	.	H	α-helix	trans	-70.2	-39	-174.1	-64.7	-59.4	144.5	0	0	111.4	K197 L218 K219	K197-E215 WeakPolarHBondContact CE-OE1 3.42Å; K197-E215 IonicContact NZ-OE1 3.86Å; K197-E215 PolarHBondContact NZ-OE1 3.38Å; E215-L218 PolarHBondContact O-N 2.9Å; E215-K219 WeakPolarHBondContact O-CB 3.1Å; E215-K219 PolarHBondContact O-N 3.47Å
216	G	98.4	Very high	97.2	Very high	26 Å²	26	71.3 Å²	71.3	27%	0.268	37%	0.368	S	S	.	.	H	α-helix	trans	-64.1	-42.4	174	0	0	0	0	0	113	D213 K219 R220	D213-G216 PolarHBondContact OD1-N 2.9Å; D213-G216 WeakPolarHBondContact OD2-CA 3.17Å; G216-K219 PolarHBondContact O-N 2.87Å; G216-R220 WeakPolarHBondContact O-CB 3.08Å; G216-R220 PolarHBondContact O-N 2.83Å
217	Q	98.4	Very high	97.3	Very high	25 Å²	25	70.2 Å²	70.2	12%	0.117	36%	0.357	C	S	.	.	H	α-helix	trans	-65	-44.4	175.6	-74.4	-176.5	44.3	0	0	112	F196 D213 I214 K219 R220 L221	F196-Q217 HydrophobicContact CE1-CB 4.36Å; F196-Q217 HydrophobicContact CZ-CB 3.77Å; D213-Q217 WeakPolarHBondContact O-CB 3.06Å; D213-Q217 VanDerWaalsContact O-CG 3.3Å; D213-Q217 WeakPolarHBondContact O-CG 3.21Å; D213-Q217 PolarHBondContact O-N 3.12Å; I214-Q217 PolarHBondContact O-N 2.97Å; Q217-K219 PolarHBondContact O-N 3.48Å; Q217-R220 PolarHBondContact O-N 3.08Å; Q217-L221 WeakPolarHBondContact O-CB 3.42Å; Q217-L221 VanDerWaalsContact O-CG 3.26Å; Q217-L221 WeakPolarHBondContact O-CG 3.48Å; Q217-L221 PolarHBondContact O-N 3.3Å
218	L	98.7	Very high	97.4	Very high	6 Å²	6	69 Å²	69	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-60.3	-45.7	175.7	-77.2	174	0	0	0	111.9	F189 F192 F196 K197 I214 E215 R220 L221 K222	F189-L218 WeakPolarHBondContact CZ-O 3.4Å; F192-L218 HydrophobicContact CD1-CD2 4.28Å; F192-L218 HydrophobicContact CE1-CD2 4Å; F196-L218 HydrophobicContact CB-CD2 3.85Å; F196-L218 HydrophobicContact CD1-CD1 4.1Å; F196-L218 HydrophobicContact CD1-CD2 3.56Å; F196-L218 HydrophobicContact CD1-CG 3.66Å; F196-L218 HydrophobicContact CD2-CD2 4.34Å; F196-L218 HydrophobicContact CE1-CD2 4.19Å; F196-L218 HydrophobicContact CE1-CG 3.94Å; F196-L218 HydrophobicContact CG-CD2 3.66Å; F196-L218 HydrophobicContact CG-CG 4.29Å; K197-L218 HydrophobicContact CG-CD1 4.28Å; I214-L218 HydrophobicContact CG2-CD1 3.99Å; I214-L218 WeakPolarHBondContact O-CB 3.35Å; I214-L218 WeakPolarHBondContact O-CG 3.25Å; I214-L218 PolarHBondContact O-N 3.04Å; E215-L218 PolarHBondContact O-N 2.9Å; L218-R220 VanDerWaalsContact C-N 3.28Å; L218-R220 PolarHBondContact O-N 2.67Å; L218-L221 PolarHBondContact O-N 2.68Å; L218-K222 PolarHBondContact O-N 3.22Å
219	K	98.4	Very high	97.7	Very high	173 Å²	173	68.2 Å²	68.2	75%	0.752	33%	0.333	S	S	*	.	H	α-helix	trans	-56.7	-43.5	175.9	-176.4	179.1	-179.4	180	0	111.6	E215 G216 Q217 K222 G223	E215-K219 WeakPolarHBondContact O-CB 3.1Å; E215-K219 PolarHBondContact O-N 3.47Å; G216-K219 PolarHBondContact O-N 2.87Å; Q217-K219 PolarHBondContact O-N 3.48Å; K219-K222 PolarHBondContact O-N 3.39Å; K219-G223 PolarHBondContact O-N 3.46Å
220	R	98.2	Very high	97.9	Very high	123 Å²	123	67.2 Å²	67.2	46%	0.464	33%	0.329	S	S	.	.	H	α-helix	trans	-66.4	-44.1	177.5	-169	-173.7	-179.6	179.2	7.3	112	P107 D139 G216 Q217 L218 K222 G223 F224	P107-R220 VanDerWaalsContact CB-NH2 3.34Å; D139-R220 IonicContact OD2-NH1 2.77Å; G216-R220 WeakPolarHBondContact O-CB 3.08Å; G216-R220 PolarHBondContact O-N 2.83Å; Q217-R220 PolarHBondContact O-N 3.08Å; L218-R220 VanDerWaalsContact C-N 3.28Å; L218-R220 PolarHBondContact O-N 2.67Å; R220-K222 VanDerWaalsContact C-N 3.31Å; R220-K222 PolarHBondContact O-N 3.33Å; R220-G223 PolarHBondContact O-N 3.09Å; R220-G223 VanDerWaalsContact O-N 3.15Å; R220-F224 HydrophobicContact CG-CD2 4.12Å; R220-F224 HydrophobicContact CG-CE2 3.56Å; R220-F224 HydrophobicContact CG-CZ 4.2Å; R220-F224 WeakPolarHBondContact O-CD2 3.36Å; R220-F224 PolarHBondContact O-N 3.4Å; R220-F224 VanDerWaalsContact O-N 3.1Å
221	L	98.5	Very high	98.1	Very high	13 Å²	13	67.2 Å²	67.2	7%	0.068	33%	0.328	C	S	.	.	H	α-helix	trans	-61.3	-38.1	177.4	-73.2	166.6	0	0	0	112	L106 F138 L185 F192 F196 Q217 L218 G223 F224 A225	L106-L221 HydrophobicContact CD1-CD2 3.96Å; F138-L221 HydrophobicContact CD1-CD1 3.97Å; F138-L221 HydrophobicContact CD1-CD2 4.37Å; F138-L221 HydrophobicContact CE1-CD1 3.74Å; F138-L221 HydrophobicContact CE1-CD2 4.14Å; L185-L221 HydrophobicContact CD1-CB 4.19Å; F192-L221 HydrophobicContact CE1-CB 4.34Å; F192-L221 HydrophobicContact CE1-CD1 4.07Å; F192-L221 HydrophobicContact CZ-CD1 4.07Å; F196-L221 HydrophobicContact CD2-CD1 3.93Å; F196-L221 HydrophobicContact CE2-CD1 3.6Å; F196-L221 HydrophobicContact CZ-CD1 4.27Å; Q217-L221 WeakPolarHBondContact O-CB 3.42Å; Q217-L221 VanDerWaalsContact O-CG 3.26Å; Q217-L221 WeakPolarHBondContact O-CG 3.48Å; Q217-L221 PolarHBondContact O-N 3.3Å; L218-L221 PolarHBondContact O-N 2.68Å; L221-G223 VanDerWaalsContact C-N 3.31Å; L221-G223 PolarHBondContact O-N 3.42Å; L221-F224 PolarHBondContact O-N 3.17Å; L221-F224 VanDerWaalsContact O-N 3.13Å; L221-A225 PolarHBondContact O-N 3.5Å
222	K	98.2	Very high	98.2	Very high	119 Å²	119	59.3 Å²	59.3	52%	0.517	29%	0.292	S	S	.	.	H	α-helix	trans	-58.3	-42.7	173.5	-163.3	169.6	-175.3	167.5	0	112.1	F189 L218 K219 R220 A225	F189-K222 HydrophobicContact CD1-CD 3.98Å; F189-K222 HydrophobicContact CD1-CG 4.28Å; F189-K222 HydrophobicContact CD2-CG 4.32Å; F189-K222 HydrophobicContact CE1-CB 3.91Å; F189-K222 HydrophobicContact CE1-CD 3.84Å; F189-K222 HydrophobicContact CE1-CG 4.02Å; F189-K222 HydrophobicContact CE2-CB 3.8Å; F189-K222 HydrophobicContact CE2-CG 4.07Å; F189-K222 HydrophobicContact CG-CG 4.43Å; F189-K222 HydrophobicContact CZ-CB 3.45Å; F189-K222 VanDerWaalsContact CZ-CB 3.45Å; F189-K222 HydrophobicContact CZ-CD 4.26Å; F189-K222 HydrophobicContact CZ-CG 3.93Å; L218-K222 PolarHBondContact O-N 3.22Å; K219-K222 PolarHBondContact O-N 3.39Å; R220-K222 VanDerWaalsContact C-N 3.31Å; R220-K222 PolarHBondContact O-N 3.33Å; K222-A225 WeakPolarHBondContact O-CB 3.27Å; K222-A225 PolarHBondContact O-N 3.14Å
223	G	98.1	Very high	98.3	Very high	48 Å²	48	64.5 Å²	64.5	50%	0.495	31%	0.311	S	S	.	.	H	α-helix	trans	-63.4	-39.9	174.6	0	0	0	0	0	112.7	K219 R220 L221 R227	K219-G223 PolarHBondContact O-N 3.46Å; R220-G223 PolarHBondContact O-N 3.09Å; R220-G223 VanDerWaalsContact O-N 3.15Å; L221-G223 VanDerWaalsContact C-N 3.31Å; L221-G223 PolarHBondContact O-N 3.42Å; G223-R227 PolarHBondContact O-N 2.87Å
224	F	98.5	Very high	98.3	Very high	22 Å²	22	62.2 Å²	62.2	10%	0.096	30%	0.299	C	S	.	.	H	α-helix	trans	-70.1	-31.8	176.1	-68.4	-50.7	0	0	0	113.7	L106 P107 F110 R220 L221 E226 R227 I228	L106-F224 HydrophobicContact CB-CB 4.31Å; L106-F224 HydrophobicContact CB-CD2 3.89Å; L106-F224 HydrophobicContact CB-CE2 4.32Å; L106-F224 HydrophobicContact CB-CG 4.08Å; L106-F224 HydrophobicContact CD1-CB 3.86Å; L106-F224 HydrophobicContact CD1-CD2 4.47Å; L106-F224 HydrophobicContact CD1-CG 4.46Å; P107-F224 HydrophobicContact CB-CE2 4.49Å; P107-F224 HydrophobicContact CB-CZ 4.38Å; P107-F224 HydrophobicContact CG-CE2 3.78Å; P107-F224 HydrophobicContact CG-CZ 4.15Å; F110-F224 HydrophobicContact CB-CE1 4.39Å; F110-F224 AromaticContact CD2-CD1 3.32Å; F110-F224 HydrophobicContact CD2-CD1 3.32Å; F110-F224 AromaticContact CD2-CE1 3.42Å; F110-F224 HydrophobicContact CD2-CE1 3.42Å; F110-F224 VanDerWaalsContact CD2-CE1 3.42Å; F110-F224 HydrophobicContact CD2-CG 4.27Å; F110-F224 HydrophobicContact CD2-CZ 4.42Å; F110-F224 HydrophobicContact CE2-CB 4.26Å; F110-F224 AromaticContact CE2-CD1 3.41Å; F110-F224 HydrophobicContact CE2-CD1 3.41Å; F110-F224 VanDerWaalsContact CE2-CD1 3.41Å; F110-F224 HydrophobicContact CE2-CE1 4.04Å; F110-F224 HydrophobicContact CE2-CG 4.13Å; F110-F224 HydrophobicContact CG-CD1 4.36Å; F110-F224 HydrophobicContact CG-CE1 4.2Å; R220-F224 HydrophobicContact CG-CD2 4.12Å; R220-F224 HydrophobicContact CG-CE2 3.56Å; R220-F224 HydrophobicContact CG-CZ 4.2Å; R220-F224 WeakPolarHBondContact O-CD2 3.36Å; R220-F224 PolarHBondContact O-N 3.4Å; R220-F224 VanDerWaalsContact O-N 3.1Å; L221-F224 PolarHBondContact O-N 3.17Å; L221-F224 VanDerWaalsContact O-N 3.13Å; F224-E226 VanDerWaalsContact C-N 3.3Å; F224-E226 PolarHBondContact O-N 2.64Å; F224-R227 PolarHBondContact O-N 2.82Å; F224-I228 WeakPolarHBondContact O-CB 3.49Å; F224-I228 VanDerWaalsContact O-CG2 3.26Å; F224-I228 WeakPolarHBondContact O-CG2 3.5Å; F224-I228 PolarHBondContact O-N 2.9Å
225	A	98.4	Very high	98.4	Very high	2 Å²	2	61.1 Å²	61.1	2%	0.017	29%	0.293	C	S	.	.	H	α-helix	trans	-55.4	-47.2	177.3	0	0	0	0	0	111	L185 L186 L221 K222 I228 R229	L185-A225 HydrophobicContact CD1-CB 4Å; L185-A225 HydrophobicContact CD2-CB 4.33Å; L185-A225 HydrophobicContact CG-CB 3.88Å; L186-A225 HydrophobicContact CD2-CB 4.08Å; L186-A225 VanDerWaalsContact CD2-O 3.27Å; L186-A225 WeakPolarHBondContact CD2-O 3.49Å; L221-A225 PolarHBondContact O-N 3.5Å; K222-A225 WeakPolarHBondContact O-CB 3.27Å; K222-A225 PolarHBondContact O-N 3.14Å; A225-I228 PolarHBondContact O-N 3.47Å; A225-R229 WeakPolarHBondContact O-CB 3.12Å; A225-R229 PolarHBondContact O-N 2.76Å
226	E	96.4	Very high	98.4	Very high	116 Å²	116	58.4 Å²	58.4	54%	0.542	28%	0.284	S	S	.	.	H	α-helix	trans	-68.1	-39.7	178.7	-64.3	-50.8	118	0	0	112.5	F224 R229	F224-E226 VanDerWaalsContact C-N 3.3Å; F224-E226 PolarHBondContact O-N 2.64Å; E226-R229 IonicContact OE1-CZ 2.78Å; E226-R229 IonicContact OE1-NE 3.68Å; E226-R229 PolarHBondContact OE1-NE 3.18Å; E226-R229 IonicContact OE1-NH2 3.92Å; E226-R229 PolarHBondContact OE1-NH2 3.08Å; E226-R229 IonicContact OE2-NE 3.67Å
227	R	97.9	Very high	98.4	Very high	92 Å²	92	63.9 Å²	63.9	35%	0.347	30%	0.298	S	S	.	.	H	α-helix	trans	-68	-36	178.7	-166.5	177.7	177.6	-172.4	-1.3	112.7	F110 E114 G223 F224 M231	F110-R227 HydrophobicContact CD1-CG 4.41Å; F110-R227 HydrophobicContact CE1-CB 4.37Å; F110-R227 VanDerWaalsContact CE1-CD 3.41Å; F110-R227 HydrophobicContact CE1-CG 3.6Å; F110-R227 HydrophobicContact CZ-CB 3.95Å; F110-R227 HydrophobicContact CZ-CG 3.69Å; E114-R227 IonicContact OE1-CZ 2.79Å; E114-R227 VanDerWaalsContact OE1-CZ 3.31Å; E114-R227 IonicContact OE1-NH1 3.57Å; E114-R227 PolarHBondContact OE1-NH1 3.16Å; E114-R227 IonicContact OE1-NH2 3.5Å; E114-R227 PolarHBondContact OE1-NH2 2.94Å; G223-R227 PolarHBondContact O-N 2.87Å; F224-R227 PolarHBondContact O-N 2.82Å; R227-M231 WeakPolarHBondContact O-CE 3.33Å
228	I	98.3	Very high	98.4	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-85	-26.8	-176.9	-159.3	167.2	0	0	0	113.1	L106 L109 F110 I130 I182 L186 F224 A225 P230 M231 V232	L106-I228 HydrophobicContact CD2-CD1 3.35Å; L109-I228 HydrophobicContact CD2-CD1 4.38Å; F110-I228 HydrophobicContact CZ-CB 4.2Å; I130-I228 HydrophobicContact CD1-CD1 3.59Å; I130-I228 HydrophobicContact CD1-CG1 3.79Å; I182-I228 HydrophobicContact CD1-CD1 4.05Å; L186-I228 HydrophobicContact CD2-CG2 3.96Å; F224-I228 WeakPolarHBondContact O-CB 3.49Å; F224-I228 VanDerWaalsContact O-CG2 3.26Å; F224-I228 WeakPolarHBondContact O-CG2 3.5Å; F224-I228 PolarHBondContact O-N 2.9Å; A225-I228 PolarHBondContact O-N 3.47Å; I228-P230 VanDerWaalsContact C-N 3.33Å; I228-P230 VanDerWaalsContact O-N 3.12Å; I228-M231 HydrophobicContact CG1-CE 4.22Å; I228-M231 PolarHBondContact O-N 3.09Å; I228-V232 HydrophobicContact CG1-CG2 3.97Å; I228-V232 HydrophobicContact CG2-CG2 4.4Å; I228-V232 PolarHBondContact O-N 3.47Å
229	R	98.6	Very high	98.4	Very high	102 Å²	102	64.3 Å²	64.3	39%	0.385	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-45.4	-44.4	-175.3	-171.2	-178.9	-61.7	-77.4	1.1	114.6	L186 A225 E226 M231 V232	L186-R229 HydrophobicContact CD1-CB 4.5Å; L186-R229 HydrophobicContact CD1-CG 4.46Å; L186-R229 HydrophobicContact CD2-CB 4.13Å; L186-R229 PolarHBondContact O-NH1 3.13Å; A225-R229 WeakPolarHBondContact O-CB 3.12Å; A225-R229 PolarHBondContact O-N 2.76Å; E226-R229 IonicContact OE1-CZ 2.78Å; E226-R229 IonicContact OE1-NE 3.68Å; E226-R229 PolarHBondContact OE1-NE 3.18Å; E226-R229 IonicContact OE1-NH2 3.92Å; E226-R229 PolarHBondContact OE1-NH2 3.08Å; E226-R229 IonicContact OE2-NE 3.67Å; R229-M231 PolarHBondContact O-N 2.57Å; R229-V232 PolarHBondContact O-N 2.74Å
230	P	98.4	Very high	98.4	Very high	87 Å²	87	62 Å²	62	57%	0.565	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-63.2	-29	-178.7	-22.5	34.9	0	0	0	113.9	I228 R233	I228-P230 VanDerWaalsContact C-N 3.33Å; I228-P230 VanDerWaalsContact O-N 3.12Å; P230-R233 PolarHBondContact O-NH1 3.35Å; P230-R233 PolarHBondContact O-NH2 2.98Å
231	M	98.7	Very high	98.4	Very high	10 Å²	10	60.6 Å²	60.6	5%	0.049	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-87.9	-12	-176.5	-64.2	176.1	-76.2	0	0	113	F110 W124 E125 L128 I129 I130 R227 I228 R229	F110-M231 HydrophobicContact CE1-CE 4.13Å; F110-M231 HydrophobicContact CZ-CE 4.29Å; W124-M231 HydrophobicContact CH2-CE 4.47Å; W124-M231 HydrophobicContact CH2-SD 4.42Å; W124-M231 HydrophobicContact CZ3-CE 4.42Å; W124-M231 HydrophobicContact CZ3-SD 3.86Å; E125-M231 HydrophobicContact CB-SD 4.08Å; L128-M231 HydrophobicContact CB-SD 4.08Å; L128-M231 HydrophobicContact CD2-SD 3.87Å; L128-M231 HydrophobicContact CG-SD 4.28Å; L128-M231 WeakPolarHBondContact O-CB 3.14Å; L128-M231 WeakPolarHBondContact O-CG 3.49Å; I129-M231 CarbonylContact C-O 3.49Å; I129-M231 VanDerWaalsContact CA-O 3.27Å; I129-M231 WeakPolarHBondContact CA-O 3.42Å; I130-M231 HydrophobicContact CD1-CB 4.5Å; I130-M231 PolarHBondContact N-O 3.31Å; R227-M231 WeakPolarHBondContact O-CE 3.33Å; I228-M231 HydrophobicContact CG1-CE 4.22Å; I228-M231 PolarHBondContact O-N 3.09Å; R229-M231 PolarHBondContact O-N 2.57Å
232	V	98.9	Very high	98.4	Very high	15 Å²	15	60 Å²	60	9%	0.091	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	134.8	-174.3	179.1	0	0	0	0	111.9	I130 D132 I182 L186 I228 R229	I130-V232 HydrophobicContact CB-CG2 4.32Å; I130-V232 WeakPolarHBondContact O-CA 3.48Å; D132-V232 HydrophobicContact CB-CG1 3.71Å; I182-V232 HydrophobicContact CG2-CB 4.23Å; I182-V232 HydrophobicContact CG2-CG1 3.69Å; I182-V232 HydrophobicContact CG2-CG2 3.46Å; I182-V232 VanDerWaalsContact CG2-CG2 3.46Å; L186-V232 HydrophobicContact CD1-CB 3.61Å; L186-V232 HydrophobicContact CD1-CG1 3.76Å; L186-V232 HydrophobicContact CD1-CG2 3.68Å; I228-V232 HydrophobicContact CG1-CG2 3.97Å; I228-V232 HydrophobicContact CG2-CG2 4.4Å; I228-V232 PolarHBondContact O-N 3.47Å; R229-V232 PolarHBondContact O-N 2.74Å
233	R	98.6	Very high	98.4	Very high	131 Å²	131	54.5 Å²	54.5	49%	0.494	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	163.8	176.5	-63.4	-66.1	-178.8	-86.9	-4.9	110.5	I129 I130 D132 P230 G235	I129-R233 HydrophobicContact CG2-CB 3.87Å; I129-R233 HydrophobicContact CG2-CG 3.84Å; I130-R233 PolarHBondContact O-N 2.9Å; D132-R233 PolarHBondContact N-O 3.15Å; P230-R233 PolarHBondContact O-NH1 3.35Å; P230-R233 PolarHBondContact O-NH2 2.98Å; R233-G235 PolarHBondContact O-N 2.92Å
234	D	98.8	Very high	98.3	Very high	60 Å²	60	55.6 Å²	55.6	32%	0.321	25%	0.251	S	S	.	.			trans	-63.4	111.1	163.9	-175.2	-62.3	0	0	0	108.2	R133 V236 Y237 F238	R133-D234 IonicContact CZ-OD2 3.13Å; R133-D234 IonicContact NE-OD2 2.71Å; R133-D234 IonicContact NH2-OD2 3.55Å; R133-D234 PolarHBondContact NH2-OD2 2.92Å; D234-V236 PolarHBondContact OD1-N 3.45Å; D234-Y237 PolarHBondContact OD1-N 3.49Å; D234-F238 VanDerWaalsContact O-CB 3.25Å; D234-F238 WeakPolarHBondContact O-CB 3.27Å; D234-F238 PolarHBondContact O-N 2.82Å
235	G	98.8	Very high	98.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-69.9	-32.4	-173	0	0	0	0	0	113.9	R233 M239	R233-G235 PolarHBondContact O-N 2.92Å; G235-M239 WeakPolarHBondContact O-CG 3.35Å; G235-M239 PolarHBondContact O-N 2.97Å; G235-M239 VanDerWaalsContact O-N 3.1Å
236	V	98.8	Very high	97.9	Very high	56 Å²	56	61 Å²	61	34%	0.339	29%	0.294	S	S	.	.	H	α-helix	trans	-73.2	-47.5	-177.4	177.8	0	0	0	0	109.4	D234 M239 Y240	D234-V236 PolarHBondContact OD1-N 3.45Å; V236-M239 PolarHBondContact O-N 3.05Å; V236-Y240 WeakPolarHBondContact O-CB 3.47Å; V236-Y240 PolarHBondContact O-N 2.93Å
237	Y	98.8	Very high	97.9	Very high	142 Å²	142	61.5 Å²	61.5	56%	0.557	31%	0.307	S	S	*	.	H	α-helix	trans	-63.2	-42.1	176	-174.8	-97.9	0	0	0	111.6	D234 M239 Y240 E241	D234-Y237 PolarHBondContact OD1-N 3.49Å; Y237-M239 VanDerWaalsContact C-N 3.34Å; Y237-M239 PolarHBondContact O-N 2.89Å; Y237-Y240 PolarHBondContact O-N 3.37Å; Y237-E241 HydrophobicContact CD1-CG 3.98Å; Y237-E241 HydrophobicContact CE1-CG 3.46Å; Y237-E241 VanDerWaalsContact CE1-CG 3.46Å; Y237-E241 HydrophobicContact CE2-CG 4.13Å; Y237-E241 HydrophobicContact CG-CG 4.5Å; Y237-E241 WeakPolarHBondContact O-CG 3.31Å; Y237-E241 PolarHBondContact O-N 3.01Å
238	F	98.8	Very high	97.8	Very high	39 Å²	39	61.1 Å²	61.1	17%	0.171	31%	0.308	C	S	.	.	H	α-helix	trans	-55.2	-48	175.1	172.4	-97.9	0	0	0	112.3	I59 V95 F97 I129 D234 A242	I59-F238 HydrophobicContact CD1-CE1 4.2Å; I59-F238 HydrophobicContact CD1-CZ 3.92Å; I59-F238 HydrophobicContact CG2-CE1 4.44Å; V95-F238 HydrophobicContact CG1-CZ 4.04Å; F97-F238 HydrophobicContact CB-CE1 4.05Å; F97-F238 HydrophobicContact CD1-CD1 4.35Å; F97-F238 HydrophobicContact CD1-CE1 4.32Å; F97-F238 AromaticContact CD2-CD1 3.8Å; F97-F238 HydrophobicContact CD2-CD1 3.8Å; F97-F238 AromaticContact CD2-CE1 3.86Å; F97-F238 HydrophobicContact CD2-CE1 3.86Å; F97-F238 HydrophobicContact CE1-CD1 4.4Å; F97-F238 AromaticContact CE2-CD1 3.87Å; F97-F238 HydrophobicContact CE2-CD1 3.87Å; F97-F238 HydrophobicContact CE2-CE1 4.4Å; F97-F238 HydrophobicContact CG-CD1 4.06Å; F97-F238 AromaticContact CG-CE1 3.81Å; F97-F238 HydrophobicContact CG-CE1 3.81Å; F97-F238 HydrophobicContact CZ-CD1 4.18Å; I129-F238 HydrophobicContact CD1-CD2 3.91Å; I129-F238 HydrophobicContact CD1-CE2 3.32Å; I129-F238 HydrophobicContact CD1-CZ 3.72Å; D234-F238 VanDerWaalsContact O-CB 3.25Å; D234-F238 WeakPolarHBondContact O-CB 3.27Å; D234-F238 PolarHBondContact O-N 2.82Å; F238-A242 WeakPolarHBondContact O-CB 3.43Å; F238-A242 PolarHBondContact O-N 3.14Å
239	M	98.6	Very high	97.8	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-68.8	-39.1	178.1	-73	-59.4	-57	0	0	112.2	F97 G235 V236 Y237 A242 L243 I250 L284 I286	F97-M239 HydrophobicContact CD1-CG 4.13Å; F97-M239 HydrophobicContact CD1-SD 3.7Å; F97-M239 HydrophobicContact CE1-CG 3.58Å; F97-M239 HydrophobicContact CE1-SD 3.8Å; F97-M239 HydrophobicContact CZ-CG 4.2Å; G235-M239 WeakPolarHBondContact O-CG 3.35Å; G235-M239 PolarHBondContact O-N 2.97Å; G235-M239 VanDerWaalsContact O-N 3.1Å; V236-M239 PolarHBondContact O-N 3.05Å; Y237-M239 VanDerWaalsContact C-N 3.34Å; Y237-M239 PolarHBondContact O-N 2.89Å; M239-A242 PolarHBondContact O-N 3.23Å; M239-L243 WeakPolarHBondContact O-CB 3.45Å; M239-L243 WeakPolarHBondContact O-CD1 3.15Å; M239-L243 WeakPolarHBondContact O-CG 3.22Å; M239-L243 PolarHBondContact O-N 2.89Å; M239-I250 HydrophobicContact CE-CD1 4.44Å; M239-I250 HydrophobicContact CE-CG2 4.09Å; M239-L284 HydrophobicContact CE-CD1 4.19Å; M239-L284 HydrophobicContact CG-CB 4.42Å; M239-I286 HydrophobicContact CB-CG2 3.97Å; M239-I286 HydrophobicContact CE-CG2 4.11Å
240	Y	98.6	Very high	97.7	Very high	124 Å²	124	61.9 Å²	61.9	49%	0.486	31%	0.314	S	S	.	.	H	α-helix	trans	-58.1	-50.5	176.4	179.6	-94.7	0	0	0	111.6	V236 Y237 A242 L243 H244	V236-Y240 WeakPolarHBondContact O-CB 3.47Å; V236-Y240 PolarHBondContact O-N 2.93Å; Y237-Y240 PolarHBondContact O-N 3.37Å; Y240-A242 VanDerWaalsContact C-N 3.33Å; Y240-A242 PolarHBondContact O-N 3.02Å; Y240-L243 PolarHBondContact O-N 3.44Å; Y240-H244 AromaticContact CD2-CE1 3.48Å; Y240-H244 VanDerWaalsContact CD2-CE1 3.48Å; Y240-H244 WeakPolarHBondContact CD2-CE1 3.42Å; Y240-H244 AromaticContact CD2-ND1 3.43Å; Y240-H244 WeakPolarHBondContact CD2-ND1 3.37Å; Y240-H244 AromaticContact CE2-CE1 3.39Å; Y240-H244 WeakPolarHBondContact CE2-CE1 3.47Å; Y240-H244 AromaticContact CE2-CG 3.97Å; Y240-H244 AromaticContact CE2-ND1 3.44Å; Y240-H244 WeakPolarHBondContact CE2-ND1 3.04Å; Y240-H244 AromaticContact CE2-NE2 3.87Å; Y240-H244 AromaticContact CG-ND1 3.88Å; Y240-H244 AromaticContact CZ-ND1 3.9Å; Y240-H244 PolarHBondContact O-N 2.76Å; Y240-H244 PolarHBondContact O-ND1 3.13Å
241	E	98.3	Very high	97.7	Very high	94 Å²	94	57.9 Å²	57.9	44%	0.439	29%	0.288	S	S	.	.	H	α-helix	trans	-62	-40.4	176.8	-72.9	-73.3	98	0	0	111.9	Y237 L243 G245	Y237-E241 HydrophobicContact CD1-CG 3.98Å; Y237-E241 HydrophobicContact CE1-CG 3.46Å; Y237-E241 VanDerWaalsContact CE1-CG 3.46Å; Y237-E241 HydrophobicContact CE2-CG 4.13Å; Y237-E241 HydrophobicContact CG-CG 4.5Å; Y237-E241 WeakPolarHBondContact O-CG 3.31Å; Y237-E241 PolarHBondContact O-N 3.01Å; E241-L243 VanDerWaalsContact C-N 3.28Å; E241-L243 PolarHBondContact O-N 3.07Å; E241-G245 WeakPolarHBondContact O-CA 3.46Å; E241-G245 PolarHBondContact O-N 3.31Å
242	A	97.9	Very high	97.7	Very high	2 Å²	2	57.4 Å²	57.4	2%	0.017	29%	0.286	C	S	.	.	H	α-helix	trans	-63.8	-33.8	177.4	0	0	0	0	0	112.9	I59 F238 M239 Y240 K248 I250	I59-A242 HydrophobicContact CD1-CB 3.47Å; I59-A242 VanDerWaalsContact CD1-CB 3.47Å; F238-A242 WeakPolarHBondContact O-CB 3.43Å; F238-A242 PolarHBondContact O-N 3.14Å; M239-A242 PolarHBondContact O-N 3.23Å; Y240-A242 VanDerWaalsContact C-N 3.33Å; Y240-A242 PolarHBondContact O-N 3.02Å; A242-K248 HydrophobicContact CB-CD 4.37Å; A242-I250 HydrophobicContact CB-CD1 4.1Å
243	L	97.4	Very high	97.6	Very high	2 Å²	2	57.1 Å²	57.1	1%	0.01	28%	0.284	C	S	.	.	H	α-helix	trans	-79.8	-41	179.3	-68.9	165.7	0	0	0	112.4	G30 S31 V33 M239 Y240 E241 I250 I286 N290	G30-L243 CarbonylContact C-O 3.53Å; G30-L243 WeakPolarHBondContact CA-O 3.45Å; S31-L243 PolarHBondContact N-O 2.66Å; S31-L243 VanDerWaalsContact O-CD2 3.23Å; S31-L243 WeakPolarHBondContact O-CD2 3.41Å; S31-L243 PolarHBondContact OG-O 2.69Å; V33-L243 HydrophobicContact CG1-CD2 3.74Å; M239-L243 WeakPolarHBondContact O-CB 3.45Å; M239-L243 WeakPolarHBondContact O-CD1 3.15Å; M239-L243 WeakPolarHBondContact O-CG 3.22Å; M239-L243 PolarHBondContact O-N 2.89Å; Y240-L243 PolarHBondContact O-N 3.44Å; E241-L243 VanDerWaalsContact C-N 3.28Å; E241-L243 PolarHBondContact O-N 3.07Å; L243-I250 HydrophobicContact CD2-CD1 3.63Å; L243-I250 HydrophobicContact CG-CD1 4.13Å; L243-I286 HydrophobicContact CD1-CB 4.06Å; L243-I286 HydrophobicContact CD1-CG2 3.59Å; L243-N290 HydrophobicContact CD1-CB 4.11Å; L243-N290 HydrophobicContact CD2-CB 4.2Å
244	H	96.8	Very high	97.5	Very high	72 Å²	72	51 Å²	51	33%	0.333	26%	0.261	S	S	.	.	H	α-helix	trans	-100.4	-8.2	-170.2	-60.3	84	0	0	0	114.2	Y240	Y240-H244 AromaticContact CD2-CE1 3.48Å; Y240-H244 VanDerWaalsContact CD2-CE1 3.48Å; Y240-H244 WeakPolarHBondContact CD2-CE1 3.42Å; Y240-H244 AromaticContact CD2-ND1 3.43Å; Y240-H244 WeakPolarHBondContact CD2-ND1 3.37Å; Y240-H244 AromaticContact CE2-CE1 3.39Å; Y240-H244 WeakPolarHBondContact CE2-CE1 3.47Å; Y240-H244 AromaticContact CE2-CG 3.97Å; Y240-H244 AromaticContact CE2-ND1 3.44Å; Y240-H244 WeakPolarHBondContact CE2-ND1 3.04Å; Y240-H244 AromaticContact CE2-NE2 3.87Å; Y240-H244 AromaticContact CG-ND1 3.88Å; Y240-H244 AromaticContact CZ-ND1 3.9Å; Y240-H244 PolarHBondContact O-N 2.76Å; Y240-H244 PolarHBondContact O-ND1 3.13Å
245	G	94.6	Very high	97.2	Very high	36 Å²	36	48.2 Å²	48.2	37%	0.371	25%	0.247	S	C	.	.	S	Bend	trans	-75.6	-155.9	171	0	0	0	0	0	113.1	E241	E241-G245 WeakPolarHBondContact O-CA 3.46Å; E241-G245 PolarHBondContact O-N 3.31Å
246	P	94.3	Very high	96.9	Very high	102 Å²	102	49.3 Å²	49.3	66%	0.662	25%	0.253	S	S	*	.	S	Bend	trans	-53.7	146	171.1	-23.9	34.1	0	0	0	111.1	K248	P246-K248 PolarHBondContact O-N 2.7Å
247	P	95	Very high	96.8	Very high	126 Å²	126	46.7 Å²	46.7	82%	0.818	24%	0.237	S	C	*	.			trans	-52.2	125.4	-177.5	-27.8	34.8	0	0	0	112.4
248	K	96.3	Very high	96.8	Very high	83 Å²	83	40 Å²	40	36%	0.361	21%	0.211	S	C	.	.			trans	-125.5	143	177.1	-74.4	-176.3	-178.1	-176.7	0	111.4	S31 D58 I59 A242 P246 I250	S31-K248 PolarHBondContact OG-N 3.38Å; D58-K248 HydrophobicContact CB-CB 4.24Å; D58-K248 HydrophobicContact CB-CG 4.28Å; D58-K248 VanDerWaalsContact OD2-CA 3.31Å; D58-K248 WeakPolarHBondContact OD2-CA 3.31Å; I59-K248 HydrophobicContact CD1-CD 4.16Å; A242-K248 HydrophobicContact CB-CD 4.37Å; P246-K248 PolarHBondContact O-N 2.7Å; K248-I250 HydrophobicContact CB-CG1 4.25Å
249	K	97.8	Very high	96.7	Very high	116 Å²	116	38.1 Å²	38.1	50%	0.504	20%	0.203	S	C	.	.			trans	-85.9	108.8	168.3	-71.4	176.1	172.7	-174.2	0	109.2	D56 D58 I59	D56-K249 WeakPolarHBondContact O-CD 3.24Å; D56-K249 IonicContact OD2-NZ 2.9Å; D56-K249 PolarHBondContact OD2-NZ 3.31Å; D58-K249 PolarHBondContact N-O 3.29Å; D58-K249 PolarHBondContact OD2-N 3.41Å; I59-K249 PolarHBondContact N-O 2.99Å
250	I	98.4	Very high	96.7	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	120	-179	-59.5	164.8	0	0	0	108.5	V33 T34 I59 M239 A242 L243 K248	V33-I250 WeakPolarHBondContact CA-O 3.37Å; V33-I250 HydrophobicContact CB-CB 4.32Å; V33-I250 HydrophobicContact CB-CG2 4.18Å; V33-I250 HydrophobicContact CG1-CB 3.92Å; V33-I250 HydrophobicContact CG1-CD1 4.29Å; V33-I250 HydrophobicContact CG1-CG2 3.71Å; T34-I250 PolarHBondContact N-O 2.79Å; I59-I250 HydrophobicContact CB-CG1 4.2Å; I59-I250 HydrophobicContact CB-CG2 4.34Å; I59-I250 HydrophobicContact CD1-CG1 4.25Å; I59-I250 HydrophobicContact CG2-CG2 4.42Å; I59-I250 CarbonylContact O-C 3.53Å; I59-I250 WeakPolarHBondContact O-CA 3.43Å; M239-I250 HydrophobicContact CE-CD1 4.44Å; M239-I250 HydrophobicContact CE-CG2 4.09Å; A242-I250 HydrophobicContact CB-CD1 4.1Å; L243-I250 HydrophobicContact CD2-CD1 3.63Å; L243-I250 HydrophobicContact CG-CD1 4.13Å; K248-I250 HydrophobicContact CB-CG1 4.25Å
251	L	98.6	Very high	96.6	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.021	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	134.5	176.6	-178	62.4	0	0	0	110.2	T34 V36 V50 L53 A54 A57 I59 I60 S61	T34-L251 HydrophobicContact CG2-CD1 4.12Å; T34-L251 CarbonylContact O-C 3.3Å; T34-L251 WeakPolarHBondContact O-CA 3.22Å; V36-L251 HydrophobicContact CG2-CD1 3.95Å; V50-L251 HydrophobicContact CG1-CD2 3.97Å; L53-L251 HydrophobicContact CB-CD1 4.01Å; L53-L251 HydrophobicContact CB-CD2 3.75Å; L53-L251 HydrophobicContact CD1-CD1 4.01Å; A54-L251 HydrophobicContact CB-CD2 4.14Å; A57-L251 HydrophobicContact CB-CB 4.05Å; I59-L251 PolarHBondContact O-N 2.77Å; I60-L251 CarbonylContact C-O 3.44Å; I60-L251 WeakPolarHBondContact CA-O 3.49Å; I60-L251 HydrophobicContact CG1-CB 4.23Å; I60-L251 HydrophobicContact CG1-CD2 4.27Å; I60-L251 HydrophobicContact CG2-CB 4.48Å; I60-L251 HydrophobicContact CG2-CD2 4.29Å; I60-L251 HydrophobicContact CG2-CG 4.45Å; S61-L251 PolarHBondContact N-O 3.14Å; S61-L251 PolarHBondContact OG-O 3Å
252	V	98.5	Very high	96.6	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	116.3	176.1	-171.9	0	0	0	0	109.3	V33 T34 V35 V36 C63 V280 L284	V33-V252 HydrophobicContact CB-CG2 3.97Å; V33-V252 HydrophobicContact CG2-CG2 3.95Å; T34-V252 PolarHBondContact O-N 3.39Å; V35-V252 HydrophobicContact CB-CB 4.48Å; V35-V252 HydrophobicContact CG1-CB 4.27Å; V35-V252 HydrophobicContact CG1-CG1 4.48Å; V35-V252 HydrophobicContact CG2-CB 4.27Å; V35-V252 HydrophobicContact CG2-CG2 4.42Å; V36-V252 PolarHBondContact N-O 2.88Å; C63-V252 HydrophobicContact CB-CG1 4.3Å; C63-V252 WeakPolarHBondContact SG-CG1 3.02Å; V252-V280 HydrophobicContact CG1-CG1 4.12Å; V252-V280 HydrophobicContact CG1-CG2 4.14Å; V252-V280 HydrophobicContact CG2-CG1 4.1Å; V252-L284 HydrophobicContact CG1-CD1 4.21Å; V252-L284 HydrophobicContact CG2-CD1 3.8Å
253	E	96.9	Very high	96.7	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.037	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	107.1	176.6	-179.3	-173.1	133.2	0	0	110	V50 S61 R62 H71 S87	V50-E253 HydrophobicContact CG1-CB 4.28Å; V50-E253 HydrophobicContact CG1-CG 4.24Å; V50-E253 HydrophobicContact CG2-CB 4.32Å; V50-E253 HydrophobicContact CG2-CG 3.97Å; S61-E253 PolarHBondContact O-N 3Å; R62-E253 HydrophobicContact CG-CB 4.21Å; R62-E253 IonicContact NE-OE1 3.7Å; H71-E253 IonicContact CE1-OE1 3.31Å; H71-E253 PolarHBondContact CE1-OE1 2.99Å; H71-E253 IonicContact CE1-OE2 2.77Å; H71-E253 IonicContact ND1-OE1 3.76Å; H71-E253 IonicContact NE2-OE1 3.45Å; H71-E253 PolarHBondContact NE2-OE1 2.73Å; H71-E253 IonicContact NE2-OE2 2.71Å; S87-E253 PolarHBondContact N-OE2 3.47Å; S87-E253 PolarHBondContact OG-OE2 2.78Å
254	G	95.3	Very high	96.7	Very high	3 Å²	3	40.5 Å²	40.5	3%	0.031	22%	0.222	C	C	.	.			trans	-70.8	131.2	175.2	0	0	0	0	0	113	V36 K46	V36-G254 WeakPolarHBondContact O-CA 3.25Å; V36-G254 PolarHBondContact O-N 3.48Å; K46-G254 WeakPolarHBondContact CE-O 3.5Å
255	A	91.8	Very high	96.8	Very high	2 Å²	2	37.5 Å²	37.5	2%	0.017	21%	0.21	C	C	.	.			trans	-80.2	146.7	170.2	0	0	0	0	0	111.6	Q64	Q64-A255 HydrophobicContact CG-CB 4.07Å; Q64-A255 VanDerWaalsContact NE2-N 3.13Å
256	N	93.4	Very high	96.9	Very high	23 Å²	23	35.9 Å²	35.9	12%	0.123	19%	0.193	C	C	.	.	S	Bend	trans	53	-137.3	177.4	-59.8	90.3	0	0	0	111.7	K46 N68 L260	K46-N256 WeakPolarHBondContact CE-O 3.21Å; K46-N256 PolarHBondContact NZ-O 2.97Å; N68-N256 PolarHBondContact ND2-OD1 3.04Å; N256-L260 HydrophobicContact CB-CB 4.29Å; N256-L260 HydrophobicContact CB-CD1 4.02Å
257	A	96.6	Very high	97	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	19%	0.189	C	C	.	.			trans	-157.7	167.5	-175.7	0	0	0	0	0	111.8	G38 Q40 E44 L259 L260 D261 C275	G38-A257 CarbonylContact O-C 3.52Å; G38-A257 WeakPolarHBondContact O-CA 3.27Å; Q40-A257 WeakPolarHBondContact O-CB 3.1Å; E44-A257 WeakPolarHBondContact OE1-CB 3.43Å; A257-L259 VanDerWaalsContact C-N 3.3Å; A257-L259 PolarHBondContact O-N 2.84Å; A257-L260 WeakPolarHBondContact O-CA 3.4Å; A257-L260 WeakPolarHBondContact O-CB 3.45Å; A257-L260 PolarHBondContact O-N 2.98Å; A257-D261 PolarHBondContact O-N 3.17Å; A257-C275 VanDerWaalsContact O-CB 3.25Å; A257-C275 WeakPolarHBondContact O-CB 3.1Å
258	A	98.1	Very high	96.9	Very high	2 Å²	2	34.2 Å²	34.2	2%	0.017	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-53.8	-40.9	-174.5	0	0	0	0	0	113.6	G38 L260 D261 T276 A350	G38-A258 PolarHBondContact O-N 2.87Å; A258-L260 PolarHBondContact O-N 2.95Å; A258-D261 WeakPolarHBondContact O-CB 3.23Å; A258-D261 PolarHBondContact O-N 3.13Å; A258-D261 VanDerWaalsContact O-N 3.13Å; A258-T276 HydrophobicContact CB-CG2 4.31Å; A258-A350 HydrophobicContact CB-CB 3.83Å
259	L	98.2	Very high	96.8	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-82.6	-0.1	-177.8	-54.7	170	0	0	0	113.7	Q40 W41 A257 G265 T266 I346 Y349 F389	Q40-L259 VanDerWaalsContact O-CB 3.27Å; Q40-L259 WeakPolarHBondContact O-CB 3.49Å; Q40-L259 WeakPolarHBondContact O-CG 3.3Å; Q40-L259 PolarHBondContact O-N 2.79Å; W41-L259 HydrophobicContact CD2-CB 3.9Å; W41-L259 HydrophobicContact CD2-CD1 3.56Å; W41-L259 HydrophobicContact CD2-CG 4.4Å; W41-L259 HydrophobicContact CE3-CD1 3.65Å; W41-L259 HydrophobicContact CG-CB 3.87Å; W41-L259 HydrophobicContact CG-CD1 4.27Å; W41-L259 HydrophobicContact CH2-CD1 3.66Å; W41-L259 HydrophobicContact CZ2-CB 4.15Å; W41-L259 HydrophobicContact CZ2-CD1 3.56Å; W41-L259 HydrophobicContact CZ2-CG 4.37Å; W41-L259 HydrophobicContact CZ3-CD1 3.7Å; W41-L259 VanDerWaalsContact NE1-CB 3.28Å; W41-L259 PolarHBondContact NE1-O 3.37Å; A257-L259 VanDerWaalsContact C-N 3.3Å; A257-L259 PolarHBondContact O-N 2.84Å; L259-G265 VanDerWaalsContact C-CA 3.44Å; L259-G265 CarbonylContact O-C 3.55Å; L259-G265 WeakPolarHBondContact O-CA 3.28Å; L259-T266 PolarHBondContact O-N 2.65Å; L259-T266 PolarHBondContact O-OG1 2.87Å; L259-I346 HydrophobicContact CD1-CB 3.63Å; L259-I346 HydrophobicContact CD1-CD1 3.69Å; L259-I346 HydrophobicContact CD1-CG1 4.06Å; L259-I346 HydrophobicContact CD1-CG2 3.95Å; L259-I346 HydrophobicContact CD2-CB 4.37Å; L259-Y349 HydrophobicContact CD2-CD1 3.83Å; L259-Y349 HydrophobicContact CD2-CE1 4.01Å; L259-F389 HydrophobicContact CD2-CE1 4.19Å; L259-F389 HydrophobicContact CD2-CZ 4.36Å
260	L	97.1	Very high	96.7	Very high	32 Å²	32	27.2 Å²	27.2	17%	0.168	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-103.9	1.9	167.7	-65.4	176.5	0	0	0	112.2	W41 N256 A257 A258 V270 T271	W41-L260 VanDerWaalsContact O-CD1 3.3Å; W41-L260 WeakPolarHBondContact O-CD1 3.37Å; N256-L260 HydrophobicContact CB-CB 4.29Å; N256-L260 HydrophobicContact CB-CD1 4.02Å; A257-L260 WeakPolarHBondContact O-CA 3.4Å; A257-L260 WeakPolarHBondContact O-CB 3.45Å; A257-L260 PolarHBondContact O-N 2.98Å; A258-L260 PolarHBondContact O-N 2.95Å; L260-V270 WeakPolarHBondContact O-CB 3.48Å; L260-T271 WeakPolarHBondContact O-CG2 3.14Å; L260-T271 PolarHBondContact O-N 2.99Å
261	D	98.4	Very high	96.5	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.			trans	-61.2	142.7	175.2	-170.1	-71.4	0	0	0	110.8	A257 A258 D263 F264 G265 V270 N274 C275 T276	A257-D261 PolarHBondContact O-N 3.17Å; A258-D261 WeakPolarHBondContact O-CB 3.23Å; A258-D261 PolarHBondContact O-N 3.13Å; A258-D261 VanDerWaalsContact O-N 3.13Å; D261-D263 VanDerWaalsContact C-N 3.28Å; D261-D263 PolarHBondContact O-N 3.15Å; D261-D263 PolarHBondContact OD1-N 3Å; D261-F264 HydrophobicContact CB-CB 4.17Å; D261-F264 WeakPolarHBondContact OD1-CD2 3.42Å; D261-F264 PolarHBondContact OD1-N 3.34Å; D261-G265 WeakPolarHBondContact O-CA 3.41Å; D261-G265 PolarHBondContact O-N 2.86Å; D261-V270 WeakPolarHBondContact O-CB 3.28Å; D261-V270 VanDerWaalsContact O-CG1 3.31Å; D261-V270 WeakPolarHBondContact O-CG1 3.46Å; D261-N274 PolarHBondContact OD1-ND2 3.05Å; D261-N274 VanDerWaalsContact OD2-C 3.28Å; D261-N274 WeakPolarHBondContact OD2-CA 3.49Å; D261-C275 HydrophobicContact CB-CB 4.27Å; D261-C275 PolarHBondContact OD2-N 3.04Å; D261-T276 HydrophobicContact CB-CG2 4.06Å; D261-T276 WeakPolarHBondContact OD2-CB 3.35Å; D261-T276 VanDerWaalsContact OD2-CG2 3.26Å; D261-T276 WeakPolarHBondContact OD2-CG2 3.45Å; D261-T276 PolarHBondContact OD2-N 3.01Å; D261-T276 VanDerWaalsContact OD2-N 3.07Å; D261-T276 PolarHBondContact OD2-OG1 2.78Å
262	I	98.3	Very high	96.4	Very high	52 Å²	52	29.7 Å²	29.7	27%	0.267	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-34.3	-178.4	-174.9	56.9	0	0	0	113.3	Y267 V270 T271 S273	I262-Y267 HydrophobicContact CD1-CD2 4.4Å; I262-Y267 HydrophobicContact CD1-CE2 4.3Å; I262-V270 HydrophobicContact CD1-CG2 4.02Å; I262-T271 WeakPolarHBondContact CD1-O 3.48Å; I262-S273 PolarHBondContact N-O 3.31Å
263	D	98.5	Very high	96.3	Very high	109 Å²	109	29.8 Å²	29.8	58%	0.583	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-42.2	-177.6	-66.6	-64.2	0	0	0	111.4	D261 N274	D261-D263 VanDerWaalsContact C-N 3.28Å; D261-D263 PolarHBondContact O-N 3.15Å; D261-D263 PolarHBondContact OD1-N 3Å; D263-N274 PolarHBondContact OD2-ND2 3.12Å
264	F	98.6	Very high	96.4	Very high	79 Å²	79	31.7 Å²	31.7	35%	0.346	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-9.1	-169.2	-54.6	-64	0	0	0	113.8	D261 T276 Y349 V353	D261-F264 HydrophobicContact CB-CB 4.17Å; D261-F264 WeakPolarHBondContact OD1-CD2 3.42Å; D261-F264 PolarHBondContact OD1-N 3.34Å; F264-T276 HydrophobicContact CD2-CG2 4Å; F264-Y349 WeakPolarHBondContact CA-OH 3.19Å; F264-Y349 HydrophobicContact CB-CE1 4.5Å; F264-Y349 WeakPolarHBondContact CB-OH 3.44Å; F264-Y349 WeakPolarHBondContact O-CE1 3.2Å; F264-Y349 PolarHBondContact O-OH 3Å; F264-V353 HydrophobicContact CB-CG2 4.48Å; F264-V353 HydrophobicContact CD1-CG1 4.42Å; F264-V353 HydrophobicContact CD1-CG2 4.25Å; F264-V353 HydrophobicContact CD2-CG1 3.75Å; F264-V353 HydrophobicContact CE2-CG1 4Å; F264-V353 HydrophobicContact CG-CG1 3.97Å; F264-V353 HydrophobicContact CG-CG2 4.27Å; F264-V353 HydrophobicContact CZ-CG1 4.45Å
265	G	97.9	Very high	96.5	Very high	8 Å²	8	31.6 Å²	31.6	8%	0.082	16%	0.164	C	C	.	.	S	Bend	trans	-80.1	-174.5	-177.8	0	0	0	0	0	114.3	L259 D261 Y267	L259-G265 VanDerWaalsContact C-CA 3.44Å; L259-G265 CarbonylContact O-C 3.55Å; L259-G265 WeakPolarHBondContact O-CA 3.28Å; D261-G265 WeakPolarHBondContact O-CA 3.41Å; D261-G265 PolarHBondContact O-N 2.86Å; G265-Y267 PolarHBondContact O-N 2.86Å
266	T	97.2	Very high	96.8	Very high	2 Å²	2	31.7 Å²	31.7	1%	0.012	16%	0.164	C	C	.	.	S	Bend	trans	-77.9	64.8	175.6	49.5	0	0	0	0	112.4	W41 L259 F269 R304 F389 Q393 L396	W41-T266 HydrophobicContact CZ2-CG2 3.59Å; W41-T266 PolarHBondContact NE1-OG1 3.39Å; L259-T266 PolarHBondContact O-N 2.65Å; L259-T266 PolarHBondContact O-OG1 2.87Å; T266-F269 CarbonylContact O-C 3.5Å; T266-F269 WeakPolarHBondContact O-CA 3.42Å; T266-F269 PolarHBondContact O-N 3.42Å; T266-R304 PolarHBondContact OG1-NH1 3.26Å; T266-R304 PolarHBondContact OG1-NH2 2.79Å; T266-F389 HydrophobicContact CG2-CE1 4.01Å; T266-F389 HydrophobicContact CG2-CZ 3.79Å; T266-Q393 PolarHBondContact O-NE2 2.86Å; T266-L396 HydrophobicContact CG2-CD2 3.59Å
267	Y	96.2	Very high	97.1	Very high	144 Å²	144	31.9 Å²	31.9	57%	0.565	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	138.7	-179.5	-173.4	-86.4	0	0	0	111.2	I262 G265 V270 Q393	I262-Y267 HydrophobicContact CD1-CD2 4.4Å; I262-Y267 HydrophobicContact CD1-CE2 4.3Å; G265-Y267 PolarHBondContact O-N 2.86Å; Y267-V270 HydrophobicContact CD2-CG2 3.82Å; Y267-Q393 WeakPolarHBondContact O-CG 3.22Å; Y267-Q393 PolarHBondContact O-NE2 3.34Å
268	P	93.4	Very high	97.2	Very high	50 Å²	50	33.7 Å²	33.7	33%	0.325	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.6	3.5	4.4	35.4	-36.4	0	0	0	115	V270	P268-V270 PolarHBondContact O-N 2.96Å
269	F	93.8	Very high	97.2	Very high	31 Å²	31	33.7 Å²	33.7	14%	0.136	19%	0.185	C	C	.	.	S	Bend	trans	-86	61.6	-175.9	-51	-55.6	0	0	0	111.5	T266 I307 G308 Q393	T266-F269 CarbonylContact O-C 3.5Å; T266-F269 WeakPolarHBondContact O-CA 3.42Å; T266-F269 PolarHBondContact O-N 3.42Å; F269-I307 HydrophobicContact CD1-CD1 4.13Å; F269-I307 HydrophobicContact CD1-CG1 3.67Å; F269-I307 HydrophobicContact CE1-CD1 3.34Å; F269-I307 HydrophobicContact CE1-CG1 3.4Å; F269-I307 VanDerWaalsContact CE1-CG1 3.4Å; F269-I307 HydrophobicContact CE2-CG1 4.46Å; F269-I307 HydrophobicContact CG-CG1 4.35Å; F269-I307 HydrophobicContact CZ-CD1 3.6Å; F269-I307 HydrophobicContact CZ-CG1 3.82Å; F269-G308 VanDerWaalsContact CE2-CA 3.48Å; F269-Q393 HydrophobicContact CD2-CG 4.06Å; F269-Q393 HydrophobicContact CE2-CG 3.8Å
270	V	94.9	Very high	97.2	Very high	20 Å²	20	33.7 Å²	33.7	12%	0.121	19%	0.185	C	C	.	.	S	Bend	trans	-135	172.2	-172.8	-66	0	0	0	0	110.2	L260 D261 I262 Y267 P268	L260-V270 WeakPolarHBondContact O-CB 3.48Å; D261-V270 WeakPolarHBondContact O-CB 3.28Å; D261-V270 VanDerWaalsContact O-CG1 3.31Å; D261-V270 WeakPolarHBondContact O-CG1 3.46Å; I262-V270 HydrophobicContact CD1-CG2 4.02Å; Y267-V270 HydrophobicContact CD2-CG2 3.82Å; P268-V270 PolarHBondContact O-N 2.96Å
271	T	94.5	Very high	97.3	Very high	17 Å²	17	33.5 Å²	33.5	10%	0.104	19%	0.186	C	C	.	.			trans	-85	177.2	166.2	-164.2	0	0	0	0	110.8	L260 I262 S273 C275	L260-T271 WeakPolarHBondContact O-CG2 3.14Å; L260-T271 PolarHBondContact O-N 2.99Å; I262-T271 WeakPolarHBondContact CD1-O 3.48Å; T271-S273 WeakPolarHBondContact CG2-OG 3.1Å; T271-C275 WeakPolarHBondContact CG2-SG 3.3Å
272	S	96.6	Very high	97.3	Very high	41 Å²	41	38 Å²	38	29%	0.287	21%	0.214	S	C	.	.	S	Bend	trans	-98	18.9	-176.5	-49.3	0	0	0	0	113.1	G168 Y171	G168-S272 VanDerWaalsContact CA-OG 3.3Å; G168-S272 WeakPolarHBondContact CA-OG 3.47Å; Y171-S272 WeakPolarHBondContact CD1-O 3.46Å
273	S	96.8	Very high	97.3	Very high	3 Å²	3	35.6 Å²	35.6	2%	0.021	20%	0.202	C	C	.	.	S	Bend	trans	-133.7	158.9	-177.6	65.4	0	0	0	0	111.9	Y171 I262 T271 C275	Y171-S273 WeakPolarHBondContact OH-CB 3.31Å; I262-S273 PolarHBondContact N-O 3.31Å; T271-S273 WeakPolarHBondContact CG2-OG 3.1Å; S273-C275 PolarHBondContact O-N 3.35Å
274	N	98.3	Very high	97.3	Very high	48 Å²	48	30.4 Å²	30.4	26%	0.257	17%	0.174	S	C	.	.			trans	-78.3	110.1	170.8	-62.3	107.2	0	0	0	110.7	Q64 D261 D263 T276	Q64-N274 WeakPolarHBondContact CG-O 3.34Å; D261-N274 PolarHBondContact OD1-ND2 3.05Å; D261-N274 VanDerWaalsContact OD2-C 3.28Å; D261-N274 WeakPolarHBondContact OD2-CA 3.49Å; D263-N274 PolarHBondContact OD2-ND2 3.12Å; N274-T276 VanDerWaalsContact C-N 3.31Å
275	C	97.8	Very high	97.3	Very high	1 Å²	1	28.5 Å²	28.5	1%	0.007	18%	0.176	C	C	.	.			trans	-91.7	3.3	179.4	-60.6	0	0	0	0	112.9	A257 D261 T271 S273	A257-C275 VanDerWaalsContact O-CB 3.25Å; A257-C275 WeakPolarHBondContact O-CB 3.1Å; D261-C275 HydrophobicContact CB-CB 4.27Å; D261-C275 PolarHBondContact OD2-N 3.04Å; T271-C275 WeakPolarHBondContact CG2-SG 3.3Å; S273-C275 PolarHBondContact O-N 3.35Å
276	T	98.7	Very high	97.4	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	17%	0.174	C	C	.	.	S	Bend	trans	-98.6	173.2	179.9	52.4	0	0	0	0	111.9	A258 D261 F264 N274 G278 G279 V353 N354	A258-T276 HydrophobicContact CB-CG2 4.31Å; D261-T276 HydrophobicContact CB-CG2 4.06Å; D261-T276 WeakPolarHBondContact OD2-CB 3.35Å; D261-T276 VanDerWaalsContact OD2-CG2 3.26Å; D261-T276 WeakPolarHBondContact OD2-CG2 3.45Å; D261-T276 PolarHBondContact OD2-N 3.01Å; D261-T276 VanDerWaalsContact OD2-N 3.07Å; D261-T276 PolarHBondContact OD2-OG1 2.78Å; F264-T276 HydrophobicContact CD2-CG2 4Å; N274-T276 VanDerWaalsContact C-N 3.31Å; T276-G278 PolarHBondContact O-N 2.84Å; T276-G278 VanDerWaalsContact O-N 3.12Å; T276-G279 PolarHBondContact O-N 3.04Å; T276-V353 HydrophobicContact CG2-CG1 3.63Å; T276-N354 WeakPolarHBondContact CA-OD1 3.44Å; T276-N354 WeakPolarHBondContact CB-OD1 3.22Å; T276-N354 WeakPolarHBondContact CG2-OD1 3.45Å
277	V	98.6	Very high	97.4	Very high	27 Å²	27	30.7 Å²	30.7	16%	0.164	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.1	-175.2	70.7	0	0	0	0	113.5	L37 G279 V280 I291 V294 N354	L37-V277 HydrophobicContact CD1-CB 4.01Å; V277-G279 PolarHBondContact O-N 2.78Å; V277-V280 VanDerWaalsContact O-CB 3.28Å; V277-V280 WeakPolarHBondContact O-CB 3.41Å; V277-V280 WeakPolarHBondContact O-CG2 3.33Å; V277-V280 PolarHBondContact O-N 3.38Å; V277-I291 HydrophobicContact CG2-CD1 3.9Å; V277-I291 HydrophobicContact CG2-CG2 4.12Å; V277-V294 HydrophobicContact CG2-CG1 4.33Å; V277-V294 HydrophobicContact CG2-CG2 4.03Å; V277-N354 PolarHBondContact N-OD1 2.87Å
278	G	98.7	Very high	97.5	Very high	39 Å²	39	28.2 Å²	28.2	40%	0.402	19%	0.19	S	C	.	.	H	α-helix	trans	-61.5	-30.7	175.2	0	0	0	0	0	113.5	T276 V280 C281 T282	T276-G278 PolarHBondContact O-N 2.84Å; T276-G278 VanDerWaalsContact O-N 3.12Å; G278-V280 PolarHBondContact O-N 2.8Å; G278-C281 PolarHBondContact O-N 2.79Å; G278-T282 PolarHBondContact O-N 2.78Å; G278-T282 PolarHBondContact O-OG1 2.88Å
279	G	98.6	Very high	97.7	Very high	2 Å²	2	30.9 Å²	30.9	2%	0.021	20%	0.198	C	C	.	.	H	α-helix	trans	-63.5	-23.6	174.5	0	0	0	0	0	113.6	T276 V277 G283	T276-G279 PolarHBondContact O-N 3.04Å; V277-G279 PolarHBondContact O-N 2.78Å; G279-G283 VanDerWaalsContact O-CA 3.32Å; G279-G283 WeakPolarHBondContact O-CA 3.44Å; G279-G283 PolarHBondContact O-N 3.37Å
280	V	98.8	Very high	97.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-67.2	-47.8	174.7	-178.1	0	0	0	0	110.5	V33 V35 V252 V277 G278 L284 I286 I291	V33-V280 HydrophobicContact CG2-CG1 4.27Å; V35-V280 HydrophobicContact CG1-CG2 3.62Å; V35-V280 HydrophobicContact CG2-CG1 4.27Å; V35-V280 HydrophobicContact CG2-CG2 4.1Å; V252-V280 HydrophobicContact CG1-CG1 4.12Å; V252-V280 HydrophobicContact CG1-CG2 4.14Å; V252-V280 HydrophobicContact CG2-CG1 4.1Å; V277-V280 VanDerWaalsContact O-CB 3.28Å; V277-V280 WeakPolarHBondContact O-CB 3.41Å; V277-V280 WeakPolarHBondContact O-CG2 3.33Å; V277-V280 PolarHBondContact O-N 3.38Å; G278-V280 PolarHBondContact O-N 2.8Å; V280-L284 HydrophobicContact CG1-CD1 3.93Å; V280-L284 WeakPolarHBondContact O-CB 3.44Å; V280-L284 PolarHBondContact O-N 3.31Å; V280-L284 VanDerWaalsContact O-N 3.09Å; V280-I286 HydrophobicContact CG1-CD1 4Å; V280-I291 HydrophobicContact CB-CD1 4.13Å; V280-I291 HydrophobicContact CG1-CD1 4.24Å; V280-I291 HydrophobicContact CG1-CG1 4.44Å
281	C	98.8	Very high	98.1	Very high	27 Å²	27	29.4 Å²	29.4	18%	0.182	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-54.3	177.7	-64.3	0	0	0	0	111.1	G278 G283 G285 I286 I291	G278-C281 PolarHBondContact O-N 2.79Å; C281-G283 VanDerWaalsContact C-N 3.3Å; C281-G283 PolarHBondContact O-N 3.43Å; C281-G285 WeakPolarHBondContact O-CA 3.16Å; C281-G285 PolarHBondContact O-N 3.32Å; C281-I286 WeakPolarHBondContact CA-O 3.29Å; C281-I286 WeakPolarHBondContact CB-O 3.44Å; C281-I286 PolarHBondContact O-N 3.23Å; C281-I291 WeakPolarHBondContact SG-CD1 3.47Å
282	T	98.8	Very high	98.2	Very high	96 Å²	96	29.2 Å²	29.2	59%	0.589	19%	0.192	S	C	*	.	H	α-helix	trans	-70.5	-28.8	-175	60.6	0	0	0	0	112.6	N100 G278	N100-T282 PolarHBondContact ND2-O 2.77Å; G278-T282 PolarHBondContact O-N 2.78Å; G278-T282 PolarHBondContact O-OG1 2.88Å
283	G	98.7	Very high	98.3	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.01	20%	0.197	C	C	.	.	H	α-helix	trans	-86.4	-19.2	-177.2	0	0	0	0	0	115.8	C63 G99 N100 G101 G279 C281	C63-G283 WeakPolarHBondContact O-CA 3.49Å; G99-G283 CarbonylContact C-O 3.57Å; G99-G283 WeakPolarHBondContact CA-O 3.4Å; N100-G283 PolarHBondContact N-O 3.48Å; N100-G283 PolarHBondContact OD1-O 2.88Å; N100-G283 VanDerWaalsContact OD1-O 3.05Å; G101-G283 PolarHBondContact N-O 2.9Å; G101-G283 VanDerWaalsContact N-O 3.09Å; G279-G283 VanDerWaalsContact O-CA 3.32Å; G279-G283 WeakPolarHBondContact O-CA 3.44Å; G279-G283 PolarHBondContact O-N 3.37Å; C281-G283 VanDerWaalsContact C-N 3.3Å; C281-G283 PolarHBondContact O-N 3.43Å
284	L	98.8	Very high	98.4	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-115.3	-12.2	177.1	-58.3	178.1	0	0	0	113.7	C63 F97 M239 V252 V280 I286	C63-L284 HydrophobicContact CB-CD1 4.2Å; C63-L284 HydrophobicContact CB-CD2 3.69Å; C63-L284 HydrophobicContact CB-CG 3.58Å; F97-L284 HydrophobicContact CD1-CD2 4.01Å; F97-L284 HydrophobicContact CE1-CD2 3.81Å; M239-L284 HydrophobicContact CE-CD1 4.19Å; M239-L284 HydrophobicContact CG-CB 4.42Å; V252-L284 HydrophobicContact CG1-CD1 4.21Å; V252-L284 HydrophobicContact CG2-CD1 3.8Å; V280-L284 HydrophobicContact CG1-CD1 3.93Å; V280-L284 WeakPolarHBondContact O-CB 3.44Å; V280-L284 PolarHBondContact O-N 3.31Å; V280-L284 VanDerWaalsContact O-N 3.09Å; L284-I286 HydrophobicContact CB-CG1 4.31Å; L284-I286 HydrophobicContact CB-CG2 3.92Å; L284-I286 HydrophobicContact CD1-CD1 4.31Å
285	G	98.4	Very high	98.5	Very high	39 Å²	39	29.2 Å²	29.2	40%	0.402	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.2	31.7	-175	0	0	0	0	0	113.1	C281	C281-G285 WeakPolarHBondContact O-CA 3.16Å; C281-G285 PolarHBondContact O-N 3.32Å
286	I	98.4	Very high	98.5	Very high	8 Å²	8	29.2 Å²	29.2	4%	0.041	19%	0.188	C	C	.	.			trans	-107.1	146.7	-179.9	71	173	0	0	0	110.3	V33 M239 L243 V280 C281 L284 I291	V33-I286 HydrophobicContact CG1-CD1 3.9Å; V33-I286 HydrophobicContact CG2-CD1 3.75Å; M239-I286 HydrophobicContact CB-CG2 3.97Å; M239-I286 HydrophobicContact CE-CG2 4.11Å; L243-I286 HydrophobicContact CD1-CB 4.06Å; L243-I286 HydrophobicContact CD1-CG2 3.59Å; V280-I286 HydrophobicContact CG1-CD1 4Å; C281-I286 WeakPolarHBondContact CA-O 3.29Å; C281-I286 WeakPolarHBondContact CB-O 3.44Å; C281-I286 PolarHBondContact O-N 3.23Å; L284-I286 HydrophobicContact CB-CG1 4.31Å; L284-I286 HydrophobicContact CB-CG2 3.92Å; L284-I286 HydrophobicContact CD1-CD1 4.31Å; I286-I291 HydrophobicContact CD1-CG1 4.41Å
287	P	98.2	Very high	98.5	Very high	48 Å²	48	29 Å²	29	31%	0.312	19%	0.187	S	C	.	.			trans	-82.9	155.8	178.9	38.8	-38.6	0	0	0	110.6	Q289 N290	P287-Q289 HydrophobicContact CG-CG 4.25Å; P287-Q289 PolarHBondContact O-N 3.47Å; P287-Q289 VanDerWaalsContact O-N 3.14Å; P287-N290 VanDerWaalsContact CD-OD1 3.29Å; P287-N290 WeakPolarHBondContact CD-OD1 3.42Å; P287-N290 WeakPolarHBondContact CG-OD1 3.33Å; P287-N290 WeakPolarHBondContact O-CB 3.43Å; P287-N290 PolarHBondContact O-N 3.42Å
288	P	98.1	Very high	98.5	Very high	91 Å²	91	27.8 Å²	27.8	59%	0.591	18%	0.179	S	C	*	.	G	3₁₀ helix	trans	-61.7	-26.9	-170.6	23	-34.2	0	0	0	114.4	N290 I291	P288-N290 PolarHBondContact O-N 2.91Å; P288-I291 WeakPolarHBondContact O-CB 3.49Å; P288-I291 PolarHBondContact O-N 3.46Å
289	Q	97.2	Very high	98.5	Very high	107 Å²	107	25.9 Å²	25.9	50%	0.5	16%	0.16	S	C	.	.	G	3₁₀ helix	trans	-62.6	-23.2	175	61.7	-88.8	25.3	0	0	113.5	T29 R32 P287 I291	T29-Q289 HydrophobicContact CG2-CB 3.97Å; T29-Q289 HydrophobicContact CG2-CG 3.88Å; T29-Q289 WeakPolarHBondContact CG2-O 3.49Å; R32-Q289 PolarHBondContact NE-O 2.93Å; P287-Q289 HydrophobicContact CG-CG 4.25Å; P287-Q289 PolarHBondContact O-N 3.47Å; P287-Q289 VanDerWaalsContact O-N 3.14Å; Q289-I291 VanDerWaalsContact C-N 3.29Å
290	N	98.1	Very high	98.5	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.005	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-83.1	-0.3	174.4	-70	105.3	0	0	0	113.1	T29 S31 R32 V33 L243 P287 P288	T29-N290 PolarHBondContact O-ND2 2.72Å; S31-N290 PolarHBondContact O-ND2 3.06Å; R32-N290 CarbonylContact C-O 3.57Å; R32-N290 WeakPolarHBondContact CA-O 3.21Å; V33-N290 PolarHBondContact N-O 2.97Å; L243-N290 HydrophobicContact CD1-CB 4.11Å; L243-N290 HydrophobicContact CD2-CB 4.2Å; P287-N290 VanDerWaalsContact CD-OD1 3.29Å; P287-N290 WeakPolarHBondContact CD-OD1 3.42Å; P287-N290 WeakPolarHBondContact CG-OD1 3.33Å; P287-N290 WeakPolarHBondContact O-CB 3.43Å; P287-N290 PolarHBondContact O-N 3.42Å; P288-N290 PolarHBondContact O-N 2.91Å
291	I	98.4	Very high	98.5	Very high	18 Å²	18	25.9 Å²	25.9	9%	0.092	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	124	170.6	-64.3	-179	0	0	0	108.6	R32 V33 V35 V277 V280 C281 I286 P288 Q289 V294	R32-I291 PolarHBondContact NE-O 3.34Å; R32-I291 PolarHBondContact NH2-O 3.48Å; V33-I291 HydrophobicContact CG2-CG1 4.21Å; V35-I291 HydrophobicContact CG2-CG2 4.19Å; V277-I291 HydrophobicContact CG2-CD1 3.9Å; V277-I291 HydrophobicContact CG2-CG2 4.12Å; V280-I291 HydrophobicContact CB-CD1 4.13Å; V280-I291 HydrophobicContact CG1-CD1 4.24Å; V280-I291 HydrophobicContact CG1-CG1 4.44Å; C281-I291 WeakPolarHBondContact SG-CD1 3.47Å; I286-I291 HydrophobicContact CD1-CG1 4.41Å; P288-I291 WeakPolarHBondContact O-CB 3.49Å; P288-I291 PolarHBondContact O-N 3.46Å; Q289-I291 VanDerWaalsContact C-N 3.29Å; I291-V294 HydrophobicContact CG2-CG2 3.62Å
292	G	98.3	Very high	98.5	Very high	13 Å²	13	24.6 Å²	24.6	13%	0.134	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	-117.3	179.3	0	0	0	0	0	111.6	V33	V33-G292 WeakPolarHBondContact O-CA 3.32Å; V33-G292 PolarHBondContact O-N 2.93Å
293	D	98.6	Very high	98.4	Very high	71 Å²	71	20.1 Å²	20.1	38%	0.38	12%	0.123	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	136.4	176.5	-81.4	-44.3	0	0	0	111.9	T34 V35 Y295 T357	T34-D293 CarbonylContact C-O 3.57Å; T34-D293 WeakPolarHBondContact CA-O 3.42Å; T34-D293 HydrophobicContact CG2-CB 4.17Å; V35-D293 PolarHBondContact N-O 3.35Å; D293-Y295 HydrophobicContact CB-CD1 4.46Å; D293-Y295 HydrophobicContact CB-CE1 3.73Å; D293-Y295 HydrophobicContact CB-CE2 4.16Å; D293-Y295 PolarHBondContact OD2-OH 3.46Å; D293-T357 WeakPolarHBondContact CA-OG1 3.3Å; D293-T357 PolarHBondContact OD1-OG1 3.27Å
294	V	98.8	Very high	98.2	Very high	6 Å²	6	20.2 Å²	20.2	4%	0.036	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	104.3	176.2	-173.3	0	0	0	0	108	V35 L37 V277 I291 F356 T357	V35-V294 HydrophobicContact CB-CG1 4.32Å; V35-V294 HydrophobicContact CB-CG2 4.37Å; V35-V294 HydrophobicContact CG2-CG2 4.41Å; L37-V294 HydrophobicContact CD1-CG1 3.91Å; L37-V294 HydrophobicContact CG-CG1 4.46Å; V277-V294 HydrophobicContact CG2-CG1 4.33Å; V277-V294 HydrophobicContact CG2-CG2 4.03Å; I291-V294 HydrophobicContact CG2-CG2 3.62Å; V294-F356 HydrophobicContact CG1-CD1 3.96Å; V294-F356 HydrophobicContact CG1-CE1 4.35Å; V294-F356 CarbonylContact O-C 3.6Å; V294-F356 VanDerWaalsContact O-CA 3.26Å; V294-F356 WeakPolarHBondContact O-CA 3.47Å; V294-T357 PolarHBondContact N-OG1 2.97Å; V294-T357 VanDerWaalsContact N-OG1 3.08Å; V294-T357 PolarHBondContact O-N 3.42Å
295	Y	98.9	Very high	97.7	Very high	16 Å²	16	23.4 Å²	23.4	6%	0.063	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	123	-177.9	-55.3	-45.5	0	0	0	111.3	T34 V35 V36 L37 L53 D293 A358 K442 W443	T34-Y295 HydrophobicContact CG2-CD2 3.86Å; T34-Y295 HydrophobicContact CG2-CE2 3.42Å; T34-Y295 VanDerWaalsContact CG2-CE2 3.42Å; V35-Y295 PolarHBondContact O-N 2.92Å; V36-Y295 HydrophobicContact CG2-CD2 4.44Å; L37-Y295 PolarHBondContact N-O 3.22Å; L53-Y295 HydrophobicContact CD1-CD2 3.73Å; L53-Y295 HydrophobicContact CD1-CE2 3.8Å; L53-Y295 HydrophobicContact CD2-CE2 4.48Å; D293-Y295 HydrophobicContact CB-CD1 4.46Å; D293-Y295 HydrophobicContact CB-CE1 3.73Å; D293-Y295 HydrophobicContact CB-CE2 4.16Å; D293-Y295 PolarHBondContact OD2-OH 3.46Å; Y295-A358 WeakPolarHBondContact CA-O 3.16Å; Y295-A358 HydrophobicContact CD1-CB 3.85Å; Y295-A358 HydrophobicContact CE1-CB 4.03Å; Y295-K442 HydrophobicContact CE1-CD 4.23Å; Y295-W443 AromaticContact CD1-CZ3 3.94Å; Y295-W443 HydrophobicContact CD1-CZ3 3.94Å; Y295-W443 AromaticContact CD2-CH2 3.87Å; Y295-W443 HydrophobicContact CD2-CH2 3.87Å; Y295-W443 AromaticContact CD2-CZ3 3.64Å; Y295-W443 HydrophobicContact CD2-CZ3 3.64Å; Y295-W443 HydrophobicContact CE1-CH2 4.25Å; Y295-W443 HydrophobicContact CE1-CZ3 4.08Å; Y295-W443 AromaticContact CE2-CH2 3.5Å; Y295-W443 HydrophobicContact CE2-CH2 3.5Å; Y295-W443 AromaticContact CE2-CZ3 3.75Å; Y295-W443 HydrophobicContact CE2-CZ3 3.75Å; Y295-W443 HydrophobicContact CG-CH2 4.36Å; Y295-W443 AromaticContact CG-CZ3 3.73Å; Y295-W443 HydrophobicContact CG-CZ3 3.73Å; Y295-W443 AromaticContact CZ-CH2 3.73Å; Y295-W443 AromaticContact CZ-CZ3 3.98Å
296	G	98.8	Very high	97	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	113.2	174.5	0	0	0	0	0	111	F356 A358 L359 A360	G296-F356 VanDerWaalsContact CA-CD1 3.42Å; G296-A358 PolarHBondContact N-O 2.87Å; G296-L359 CarbonylContact O-C 3.5Å; G296-L359 VanDerWaalsContact O-CA 3.28Å; G296-L359 WeakPolarHBondContact O-CA 3.41Å; G296-A360 PolarHBondContact O-N 3.02Å
297	V	98.7	Very high	96.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	116.5	175.1	-169.4	0	0	0	0	108.8	V36 L37 A39 E44 K46 V49 A360 T362	V36-V297 HydrophobicContact CG1-CG2 3.45Å; V36-V297 VanDerWaalsContact CG1-CG2 3.45Å; L37-V297 PolarHBondContact O-N 3.33Å; A39-V297 WeakPolarHBondContact CB-O 3.49Å; A39-V297 PolarHBondContact N-O 3.23Å; E44-V297 HydrophobicContact CB-CB 4.33Å; E44-V297 HydrophobicContact CB-CG1 3.86Å; E44-V297 WeakPolarHBondContact O-CG1 3.33Å; K46-V297 HydrophobicContact CB-CG2 4.37Å; K46-V297 HydrophobicContact CG-CB 3.75Å; K46-V297 HydrophobicContact CG-CG1 4.19Å; K46-V297 HydrophobicContact CG-CG2 3.73Å; V49-V297 HydrophobicContact CB-CG2 4.27Å; V49-V297 HydrophobicContact CG2-CG1 4.29Å; V49-V297 HydrophobicContact CG2-CG2 3.94Å; V297-A360 HydrophobicContact CG1-CB 4.48Å; V297-A360 HydrophobicContact CG2-CB 4.34Å; V297-T362 HydrophobicContact CG1-CG2 3.72Å
298	V	98.5	Very high	96.1	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	130.6	-177.1	52	0	0	0	0	108.5	A39 L342 L347 L359 A360 L361 T362	A39-V298 HydrophobicContact CB-CB 4.33Å; V298-L342 HydrophobicContact CG2-CD1 3.98Å; V298-L347 HydrophobicContact CB-CD1 4.05Å; V298-L347 HydrophobicContact CG2-CD1 3.98Å; V298-L347 HydrophobicContact CG2-CD2 3.87Å; V298-L359 HydrophobicContact CG1-CB 4.24Å; V298-L359 HydrophobicContact CG1-CD1 4.43Å; V298-A360 PolarHBondContact N-O 3.35Å; V298-A360 VanDerWaalsContact O-O 3.07Å; V298-L361 HydrophobicContact CG1-CB 4.41Å; V298-L361 HydrophobicContact CG1-CD1 3.86Å; V298-L361 HydrophobicContact CG2-CD1 4.28Å; V298-L361 CarbonylContact O-C 3.59Å; V298-L361 VanDerWaalsContact O-CA 3.27Å; V298-L361 WeakPolarHBondContact O-CA 3.43Å; V298-T362 PolarHBondContact O-N 3.24Å; V298-T362 PolarHBondContact O-OG1 3.2Å
299	K	98.4	Very high	95.9	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	144.2	171.7	-175	160.8	50.7	-174.2	0	109.6	Q40 D43 E44 Y301 T303 E328 T362 K363	Q40-K299 PolarHBondContact NE2-O 3.05Å; D43-K299 PolarHBondContact O-NZ 3.37Å; E44-K299 HydrophobicContact CB-CB 4.38Å; K299-Y301 CarbonylContact C-O 3.53Å; K299-Y301 VanDerWaalsContact CB-O 3.27Å; K299-Y301 WeakPolarHBondContact CB-O 3.26Å; K299-Y301 HydrophobicContact CD-CD2 4.44Å; K299-Y301 HydrophobicContact CD-CE1 3.98Å; K299-Y301 HydrophobicContact CD-CE2 3.92Å; K299-Y301 HydrophobicContact CG-CD1 4.01Å; K299-Y301 HydrophobicContact CG-CE1 3.85Å; K299-Y301 HydrophobicContact CG-CE2 4.4Å; K299-Y301 HydrophobicContact CG-CG 4.35Å; K299-Y301 WeakPolarHBondContact CG-O 3.37Å; K299-Y301 PolarHBondContact O-N 3.3Å; K299-T303 WeakPolarHBondContact CE-OG1 3.49Å; K299-T303 VanDerWaalsContact NZ-CG2 3.26Å; K299-T303 PolarHBondContact NZ-OG1 2.74Å; K299-E328 IonicContact NZ-OE1 3.47Å; K299-E328 PolarHBondContact NZ-OE1 2.96Å; K299-E328 IonicContact NZ-OE2 3.74Å; K299-T362 WeakPolarHBondContact CA-OG1 3.27Å; K299-K363 HydrophobicContact CD-CB 4.44Å; K299-K363 HydrophobicContact CD-CD 3.78Å; K299-K363 HydrophobicContact CD-CG 4.31Å; K299-K363 HydrophobicContact CG-CB 4.14Å; K299-K363 HydrophobicContact CG-CD 4.37Å; K299-K363 HydrophobicContact CG-CG 4.43Å
300	A	98.6	Very high	96	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.008	8%	0.08	C	C	.	.	S	Bend	trans	-61.6	-5.9	179.2	0	0	0	0	0	114.1	L361 T362 L364 L367 Y429	A300-L361 HydrophobicContact CB-CD1 4.28Å; A300-L361 HydrophobicContact CB-CG 4.48Å; A300-T362 PolarHBondContact N-O 3.01Å; A300-L364 HydrophobicContact CB-CD1 4.19Å; A300-L367 HydrophobicContact CB-CD1 3.8Å; A300-L367 HydrophobicContact CB-CG 4.34Å; A300-Y429 HydrophobicContact CB-CE1 4.27Å; A300-Y429 PolarHBondContact O-OH 2.9Å
301	Y	98.8	Very high	96	Very high	1 Å²	1	14.3 Å²	14.3	0%	0.004	9%	0.087	C	C	.	.	S	Bend	trans	-146.5	170.5	170.3	58.7	-84	0	0	0	108	Q40 K299 T303 L322 G326 E328 G340 K363 I366 L367	Q40-Y301 PolarHBondContact NE2-O 2.85Å; K299-Y301 CarbonylContact C-O 3.53Å; K299-Y301 VanDerWaalsContact CB-O 3.27Å; K299-Y301 WeakPolarHBondContact CB-O 3.26Å; K299-Y301 HydrophobicContact CD-CD2 4.44Å; K299-Y301 HydrophobicContact CD-CE1 3.98Å; K299-Y301 HydrophobicContact CD-CE2 3.92Å; K299-Y301 HydrophobicContact CG-CD1 4.01Å; K299-Y301 HydrophobicContact CG-CE1 3.85Å; K299-Y301 HydrophobicContact CG-CE2 4.4Å; K299-Y301 HydrophobicContact CG-CG 4.35Å; K299-Y301 WeakPolarHBondContact CG-O 3.37Å; K299-Y301 PolarHBondContact O-N 3.3Å; Y301-T303 HydrophobicContact CD2-CG2 3.97Å; Y301-T303 HydrophobicContact CE2-CG2 3.6Å; Y301-L322 HydrophobicContact CD1-CD2 4.16Å; Y301-L322 HydrophobicContact CD2-CB 4.28Å; Y301-L322 HydrophobicContact CD2-CD1 4.25Å; Y301-L322 HydrophobicContact CD2-CD2 4.32Å; Y301-L322 HydrophobicContact CE2-CB 4.39Å; Y301-L322 HydrophobicContact CG-CD1 4.32Å; Y301-L322 HydrophobicContact CG-CD2 3.98Å; Y301-G326 WeakPolarHBondContact OH-CA 3.3Å; Y301-E328 HydrophobicContact CE2-CG 4.11Å; Y301-E328 WeakPolarHBondContact CE2-OE1 3.33Å; Y301-E328 PolarHBondContact OH-OE1 3.05Å; Y301-G340 WeakPolarHBondContact CB-O 3.34Å; Y301-K363 HydrophobicContact CE1-CB 3.99Å; Y301-K363 HydrophobicContact CE1-CD 4.33Å; Y301-K363 VanDerWaalsContact OH-CD 3.29Å; Y301-K363 WeakPolarHBondContact OH-CD 3.34Å; Y301-I366 HydrophobicContact CD1-CB 4.39Å; Y301-I366 HydrophobicContact CD1-CG2 4.27Å; Y301-I366 HydrophobicContact CE1-CB 3.68Å; Y301-I366 HydrophobicContact CE1-CG1 3.92Å; Y301-I366 HydrophobicContact CE1-CG2 3.6Å; Y301-L367 HydrophobicContact CD1-CD2 4.24Å
302	T	98.6	Very high	96	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	142.5	-175	-49.3	0	0	0	0	110.3	W41 F310 G340 W341 I346	W41-T302 HydrophobicContact CE3-CG2 3.7Å; W41-T302 HydrophobicContact CZ3-CG2 3.71Å; T302-F310 HydrophobicContact CG2-CE2 3.87Å; T302-F310 HydrophobicContact CG2-CZ 3.75Å; T302-F310 WeakPolarHBondContact O-CZ 3.46Å; T302-G340 PolarHBondContact N-O 3.31Å; T302-G340 PolarHBondContact O-N 2.91Å; T302-W341 WeakPolarHBondContact CB-O 3.41Å; T302-W341 PolarHBondContact OG1-O 3.02Å; T302-I346 HydrophobicContact CG2-CD1 3.94Å
303	T	97.6	Very high	96	Very high	1 Å²	1	15.2 Å²	15.2	1%	0.006	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	154.9	168.7	61.7	0	0	0	0	111.5	K299 Y301 E328 R338	K299-T303 WeakPolarHBondContact CE-OG1 3.49Å; K299-T303 VanDerWaalsContact NZ-CG2 3.26Å; K299-T303 PolarHBondContact NZ-OG1 2.74Å; Y301-T303 HydrophobicContact CD2-CG2 3.97Å; Y301-T303 HydrophobicContact CE2-CG2 3.6Å; T303-E328 HydrophobicContact CG2-CG 3.94Å; T303-R338 CarbonylContact C-O 3.56Å; T303-R338 WeakPolarHBondContact CA-O 3.28Å; T303-R338 WeakPolarHBondContact CB-O 3.37Å
304	R	94.8	Very high	96	Very high	3 Å²	3	13.5 Å²	13.5	1%	0.011	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	140.5	175.6	-174.6	178	171.8	121.4	15.6	110.3	W41 T266 I307 A309 F310 R338	W41-R304 HydrophobicContact CB-CB 4.39Å; W41-R304 HydrophobicContact CB-CG 4.34Å; W41-R304 HydrophobicContact CD2-CG 4.43Å; W41-R304 VanDerWaalsContact CE2-NH1 3.31Å; W41-R304 HydrophobicContact CG-CB 4.48Å; W41-R304 HydrophobicContact CG-CG 4.15Å; W41-R304 VanDerWaalsContact NE1-NH1 3.12Å; T266-R304 PolarHBondContact OG1-NH1 3.26Å; T266-R304 PolarHBondContact OG1-NH2 2.79Å; R304-I307 PolarHBondContact NE-O 3.47Å; R304-I307 PolarHBondContact NH2-O 2.78Å; R304-A309 PolarHBondContact NH1-O 2.98Å; R304-F310 HydrophobicContact CB-CD1 3.47Å; R304-F310 VanDerWaalsContact CB-CD1 3.47Å; R304-F310 HydrophobicContact CB-CE1 3.51Å; R304-F310 HydrophobicContact CG-CD1 4.39Å; R304-R338 PolarHBondContact N-O 2.95Å; R304-R338 WeakPolarHBondContact O-CB 3.48Å; R304-R338 PolarHBondContact O-N 3.43Å
305	V	88.4	Confident	96	Very high	67 Å²	67	20.5 Å²	20.5	41%	0.406	11%	0.112	S	C	.	.			trans	-100.6	140.8	168.8	179.8	0	0	0	0	108.8	R337	V305-R337 HydrophobicContact CG2-CB 4.35Å; V305-R337 HydrophobicContact CG2-CG 3.76Å
306	G	84	Confident	95.9	Very high	8 Å²	8	22.4 Å²	22.4	8%	0.082	12%	0.123	C	C	.	.	S	Bend	trans	82.4	-170.6	177	0	0	0	0	0	113.7	R338	G306-R338 WeakPolarHBondContact O-CD 3.19Å; G306-R338 PolarHBondContact O-NH1 3.41Å; G306-R338 VanDerWaalsContact O-NH1 3.13Å
307	I	84.8	Confident	95.9	Very high	46 Å²	46	29.2 Å²	29.2	24%	0.236	16%	0.155	C	C	.	.	S	Bend	trans	-83.9	179.5	-176.3	68.8	165.8	0	0	0	111.6	K158 N159 F269 R304	K158-I307 HydrophobicContact CB-CD1 3.82Å; K158-I307 HydrophobicContact CD-CD1 4.41Å; K158-I307 HydrophobicContact CG-CD1 4.29Å; N159-I307 WeakPolarHBondContact O-CD1 3.43Å; N159-I307 WeakPolarHBondContact O-CG1 3.31Å; F269-I307 HydrophobicContact CD1-CD1 4.13Å; F269-I307 HydrophobicContact CD1-CG1 3.67Å; F269-I307 HydrophobicContact CE1-CD1 3.34Å; F269-I307 HydrophobicContact CE1-CG1 3.4Å; F269-I307 VanDerWaalsContact CE1-CG1 3.4Å; F269-I307 HydrophobicContact CE2-CG1 4.46Å; F269-I307 HydrophobicContact CG-CG1 4.35Å; F269-I307 HydrophobicContact CZ-CD1 3.6Å; F269-I307 HydrophobicContact CZ-CG1 3.82Å; R304-I307 PolarHBondContact NE-O 3.47Å; R304-I307 PolarHBondContact NH2-O 2.78Å
308	G	90.9	Very high	95.9	Very high	15 Å²	15	30.9 Å²	30.9	16%	0.155	16%	0.164	C	C	.	.	S	Bend	trans	106.7	166	-179.8	0	0	0	0	0	113.3	F269 R338	F269-G308 VanDerWaalsContact CE2-CA 3.48Å; G308-R338 PolarHBondContact O-NH1 3Å; G308-R338 PolarHBondContact O-NH2 2.82Å; G308-R338 VanDerWaalsContact O-NH2 3.07Å
309	A	95.4	Very high	95.9	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.008	17%	0.166	C	C	.	.			trans	-63.8	140.8	-174.5	0	0	0	0	0	112	R304 L396 Q397	R304-A309 PolarHBondContact NH1-O 2.98Å; A309-L396 HydrophobicContact CB-CB 3.96Å; A309-L396 HydrophobicContact CB-CD2 3.83Å; A309-L396 HydrophobicContact CB-CG 3.64Å; A309-Q397 VanDerWaalsContact CA-OE1 3.29Å; A309-Q397 HydrophobicContact CB-CB 4.27Å
310	F	97.9	Very high	95.9	Very high	11 Å²	11	35.6 Å²	35.6	5%	0.048	19%	0.19	C	C	.	.			trans	-142.4	89.4	177.6	-168.4	150.9	0	0	0	107.6	T302 R304 T312 E313 R338	T302-F310 HydrophobicContact CG2-CE2 3.87Å; T302-F310 HydrophobicContact CG2-CZ 3.75Å; T302-F310 WeakPolarHBondContact O-CZ 3.46Å; R304-F310 HydrophobicContact CB-CD1 3.47Å; R304-F310 VanDerWaalsContact CB-CD1 3.47Å; R304-F310 HydrophobicContact CB-CE1 3.51Å; R304-F310 HydrophobicContact CG-CD1 4.39Å; F310-T312 VanDerWaalsContact C-N 3.31Å; F310-T312 WeakPolarHBondContact CE2-OG1 3.48Å; F310-T312 PolarHBondContact O-N 3.13Å; F310-E313 HydrophobicContact CB-CB 3.88Å; F310-E313 HydrophobicContact CD1-CB 4.22Å; F310-E313 HydrophobicContact CD1-CG 4.49Å; F310-E313 HydrophobicContact CD2-CB 3.71Å; F310-E313 HydrophobicContact CE2-CB 4.27Å; F310-E313 HydrophobicContact CG-CB 3.69Å; F310-E313 HydrophobicContact CG-CG 4.41Å; F310-E313 VanDerWaalsContact O-CB 3.31Å; F310-E313 WeakPolarHBondContact O-CB 3.45Å; F310-E313 PolarHBondContact O-N 3.26Å; F310-E313 VanDerWaalsContact O-N 3.15Å; F310-R338 HydrophobicContact CD1-CB 3.92Å; F310-R338 HydrophobicContact CE1-CB 3.91Å
311	P	98.4	Very high	95.9	Very high	23 Å²	23	38.2 Å²	38.2	15%	0.149	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-38	-171.5	-31.7	40.7	0	0	0	114.7	Y379 L396 V399 V401	P311-Y379 HydrophobicContact CB-CE1 3.74Å; P311-Y379 HydrophobicContact CG-CE1 4.23Å; P311-Y379 HydrophobicContact CG-CE2 4.32Å; P311-Y379 WeakPolarHBondContact CG-OH 3.49Å; P311-L396 HydrophobicContact CG-CD1 3.73Å; P311-L396 HydrophobicContact CG-CG 4.21Å; P311-V399 HydrophobicContact CB-CG2 3.75Å; P311-V399 HydrophobicContact CG-CG2 3.77Å; P311-V401 HydrophobicContact CB-CG2 3.54Å; P311-V401 VanDerWaalsContact O-CG2 3.3Å; P311-V401 WeakPolarHBondContact O-CG2 3.5Å
312	T	98.6	Very high	95.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95	11.6	-179.2	57.5	0	0	0	0	115.2	F310 Q314 G340 W341 D343 V401 Y403	F310-T312 VanDerWaalsContact C-N 3.31Å; F310-T312 WeakPolarHBondContact CE2-OG1 3.48Å; F310-T312 PolarHBondContact O-N 3.13Å; T312-Q314 PolarHBondContact O-N 2.95Å; T312-Q314 PolarHBondContact O-NE2 3.09Å; T312-G340 CarbonylContact O-C 3.56Å; T312-G340 WeakPolarHBondContact O-CA 3.46Å; T312-W341 WeakPolarHBondContact CB-O 3.37Å; T312-W341 PolarHBondContact O-N 3.41Å; T312-W341 VanDerWaalsContact O-N 3.08Å; T312-W341 PolarHBondContact OG1-O 3.21Å; T312-D343 HydrophobicContact CG2-CB 3.79Å; T312-D343 WeakPolarHBondContact CG2-OD2 3.3Å; T312-V401 HydrophobicContact CG2-CG1 4.07Å; T312-V401 HydrophobicContact CG2-CG2 4.32Å; T312-Y403 WeakPolarHBondContact CA-OH 3.4Å; T312-Y403 HydrophobicContact CG2-CE1 3.93Å
313	E	98.6	Very high	95.8	Very high	50 Å²	50	39.1 Å²	39.1	23%	0.234	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-57.9	137.6	-178.3	-174.6	169.1	-147.6	0	0	111.6	F310 I315 R338	F310-E313 HydrophobicContact CB-CB 3.88Å; F310-E313 HydrophobicContact CD1-CB 4.22Å; F310-E313 HydrophobicContact CD1-CG 4.49Å; F310-E313 HydrophobicContact CD2-CB 3.71Å; F310-E313 HydrophobicContact CE2-CB 4.27Å; F310-E313 HydrophobicContact CG-CB 3.69Å; F310-E313 HydrophobicContact CG-CG 4.41Å; F310-E313 VanDerWaalsContact O-CB 3.31Å; F310-E313 WeakPolarHBondContact O-CB 3.45Å; F310-E313 PolarHBondContact O-N 3.26Å; F310-E313 VanDerWaalsContact O-N 3.15Å; E313-I315 HydrophobicContact CG-CG1 3.99Å; E313-R338 VanDerWaalsContact CD-NE 3.31Å; E313-R338 VanDerWaalsContact OE1-CB 3.28Å; E313-R338 WeakPolarHBondContact OE1-CB 3.45Å; E313-R338 WeakPolarHBondContact OE1-CD 3.39Å; E313-R338 WeakPolarHBondContact OE1-CG 3.3Å; E313-R338 IonicContact OE1-CZ 3.95Å; E313-R338 IonicContact OE1-NE 3.55Å; E313-R338 PolarHBondContact OE1-NE 2.84Å; E313-R338 IonicContact OE1-NH2 2.9Å; E313-R338 IonicContact OE2-CZ 2.86Å; E313-R338 IonicContact OE2-NE 2.76Å; E313-R338 PolarHBondContact OE2-NE 3.35Å; E313-R338 IonicContact OE2-NH2 2.87Å; E313-R338 PolarHBondContact OE2-NH2 3.46Å
314	Q	98.5	Very high	95.8	Very high	35 Å²	35	43.1 Å²	43.1	16%	0.164	23%	0.233	C	C	.	.			trans	-111.5	105.5	176.8	-65.4	-52.8	-77	0	0	109	T312 N316 I318 G319 C339 W341	T312-Q314 PolarHBondContact O-N 2.95Å; T312-Q314 PolarHBondContact O-NE2 3.09Å; Q314-N316 VanDerWaalsContact C-N 3.29Å; Q314-N316 WeakPolarHBondContact CB-OD1 3.39Å; Q314-N316 PolarHBondContact O-N 2.89Å; Q314-N316 PolarHBondContact OE1-ND2 2.79Å; Q314-N316 VanDerWaalsContact OE1-ND2 3.15Å; Q314-I318 HydrophobicContact CB-CB 4.43Å; Q314-I318 HydrophobicContact CG-CB 4.46Å; Q314-I318 HydrophobicContact CG-CG2 4.24Å; Q314-G319 WeakPolarHBondContact O-CA 3.27Å; Q314-C339 PolarHBondContact N-O 2.98Å; Q314-W341 VanDerWaalsContact CD-CD1 3.42Å; Q314-W341 HydrophobicContact CG-CG 4.35Å
315	I	97.9	Very high	95.9	Very high	152 Å²	152	47.3 Å²	47.3	78%	0.779	25%	0.249	S	C	*	.			trans	-97.6	62.2	173.7	-47.6	179.1	0	0	0	107.9	E313	E313-I315 HydrophobicContact CG-CG1 3.99Å
316	N	98.2	Very high	96.2	Very high	56 Å²	56	44.4 Å²	44.4	30%	0.299	23%	0.232	S	C	.	.	S	Bend	trans	-160.4	-174	-175.2	62.3	27.7	0	0	0	109.7	Q314 I318 G319 D320	Q314-N316 VanDerWaalsContact C-N 3.29Å; Q314-N316 WeakPolarHBondContact CB-OD1 3.39Å; Q314-N316 PolarHBondContact O-N 2.89Å; Q314-N316 PolarHBondContact OE1-ND2 2.79Å; Q314-N316 VanDerWaalsContact OE1-ND2 3.15Å; N316-I318 PolarHBondContact O-N 2.91Å; N316-I318 VanDerWaalsContact O-N 3.14Å; N316-I318 VanDerWaalsContact OD1-CB 3.31Å; N316-I318 WeakPolarHBondContact OD1-CB 3.1Å; N316-I318 PolarHBondContact OD1-N 3.13Å; N316-G319 PolarHBondContact O-N 3.11Å; N316-G319 PolarHBondContact OD1-N 2.82Å; N316-D320 PolarHBondContact O-N 2.8Å
317	E	98.1	Very high	96.7	Very high	144 Å²	144	48.2 Å²	48.2	67%	0.673	25%	0.247	S	C	*	.	H	α-helix	trans	-57.1	-28.2	-178.6	63.9	-80.8	-175.7	0	0	114.3	L321	E317-L321 VanDerWaalsContact O-CB 3.26Å; E317-L321 WeakPolarHBondContact O-CB 3.44Å; E317-L321 PolarHBondContact O-N 3.25Å
318	I	98.5	Very high	97.2	Very high	34 Å²	34	46 Å²	46	17%	0.174	24%	0.236	C	C	.	.	H	α-helix	trans	-69.7	-44.4	175.7	-59	-59.9	0	0	0	110.3	Q314 N316 D320 L321 L322 W341 L370	Q314-I318 HydrophobicContact CB-CB 4.43Å; Q314-I318 HydrophobicContact CG-CB 4.46Å; Q314-I318 HydrophobicContact CG-CG2 4.24Å; N316-I318 PolarHBondContact O-N 2.91Å; N316-I318 VanDerWaalsContact O-N 3.14Å; N316-I318 VanDerWaalsContact OD1-CB 3.31Å; N316-I318 WeakPolarHBondContact OD1-CB 3.1Å; N316-I318 PolarHBondContact OD1-N 3.13Å; I318-D320 VanDerWaalsContact C-N 3.3Å; I318-D320 PolarHBondContact O-N 3.14Å; I318-L321 WeakPolarHBondContact O-CB 3.44Å; I318-L321 PolarHBondContact O-N 2.89Å; I318-L322 HydrophobicContact CG2-CD1 4.09Å; I318-L322 HydrophobicContact CG2-CG 4.29Å; I318-L322 WeakPolarHBondContact O-CG 3.24Å; I318-L322 PolarHBondContact O-N 3.28Å; I318-W341 HydrophobicContact CB-CZ2 4.26Å; I318-W341 HydrophobicContact CD1-CH2 4.44Å; I318-W341 HydrophobicContact CD1-CZ2 4.47Å; I318-W341 HydrophobicContact CG1-CH2 4.46Å; I318-W341 HydrophobicContact CG1-CZ2 4.07Å; I318-W341 HydrophobicContact CG2-CH2 3.45Å; I318-W341 VanDerWaalsContact CG2-CH2 3.45Å; I318-W341 HydrophobicContact CG2-CZ2 3.42Å; I318-W341 VanDerWaalsContact CG2-CZ2 3.42Å; I318-W341 HydrophobicContact CG2-CZ3 4.04Å; I318-L370 HydrophobicContact CD1-CD2 3.9Å
319	G	98.4	Very high	97	Very high	5 Å²	5	50.3 Å²	50.3	5%	0.052	25%	0.248	C	C	.	.	H	α-helix	trans	-58.8	-44.7	177.3	0	0	0	0	0	111.7	Q314 N316 L322 Q323	Q314-G319 WeakPolarHBondContact O-CA 3.27Å; N316-G319 PolarHBondContact O-N 3.11Å; N316-G319 PolarHBondContact OD1-N 2.82Å; G319-L322 PolarHBondContact O-N 3.34Å; G319-Q323 VanDerWaalsContact O-CB 3.26Å; G319-Q323 WeakPolarHBondContact O-CB 3.26Å; G319-Q323 PolarHBondContact O-N 3.25Å
320	D	98.2	Very high	96.2	Very high	94 Å²	94	51 Å²	51	50%	0.503	26%	0.255	S	S	.	.	H	α-helix	trans	-65.3	-39.2	177.2	-72.3	-26	0	0	0	112.4	N316 I318 Q323 T324	N316-D320 PolarHBondContact O-N 2.8Å; I318-D320 VanDerWaalsContact C-N 3.3Å; I318-D320 PolarHBondContact O-N 3.14Å; D320-Q323 PolarHBondContact O-N 3.32Å; D320-T324 VanDerWaalsContact O-CB 3.3Å; D320-T324 WeakPolarHBondContact O-CB 3.32Å; D320-T324 PolarHBondContact O-N 3.07Å; D320-T324 PolarHBondContact O-OG1 3.34Å
321	L	98.4	Very high	94.9	Very high	56 Å²	56	55.9 Å²	55.9	29%	0.293	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-51	175.7	179.4	71.2	0	0	0	111.7	E317 I318 Q323 T324 R325 V369 L370	E317-L321 VanDerWaalsContact O-CB 3.26Å; E317-L321 WeakPolarHBondContact O-CB 3.44Å; E317-L321 PolarHBondContact O-N 3.25Å; I318-L321 WeakPolarHBondContact O-CB 3.44Å; I318-L321 PolarHBondContact O-N 2.89Å; L321-Q323 VanDerWaalsContact C-N 3.29Å; L321-Q323 PolarHBondContact O-N 3.17Å; L321-T324 PolarHBondContact O-N 3.34Å; L321-R325 HydrophobicContact CD1-CG 4.12Å; L321-R325 WeakPolarHBondContact O-CB 3.2Å; L321-R325 PolarHBondContact O-N 2.64Å; L321-V369 HydrophobicContact CD1-CG2 4.21Å; L321-V369 HydrophobicContact CD2-CG2 3.89Å; L321-V369 HydrophobicContact CG-CG2 4.41Å; L321-L370 HydrophobicContact CD2-CD2 3.56Å; L321-L370 HydrophobicContact CD2-CG 4.28Å
322	L	98.5	Very high	93.3	Very high	1 Å²	1	60.5 Å²	60.5	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-59.6	-42.8	177.7	-69.7	176.9	0	0	0	110.9	Y301 I318 G319 G326 C339 I366 L367	Y301-L322 HydrophobicContact CD1-CD2 4.16Å; Y301-L322 HydrophobicContact CD2-CB 4.28Å; Y301-L322 HydrophobicContact CD2-CD1 4.25Å; Y301-L322 HydrophobicContact CD2-CD2 4.32Å; Y301-L322 HydrophobicContact CE2-CB 4.39Å; Y301-L322 HydrophobicContact CG-CD1 4.32Å; Y301-L322 HydrophobicContact CG-CD2 3.98Å; I318-L322 HydrophobicContact CG2-CD1 4.09Å; I318-L322 HydrophobicContact CG2-CG 4.29Å; I318-L322 WeakPolarHBondContact O-CG 3.24Å; I318-L322 PolarHBondContact O-N 3.28Å; G319-L322 PolarHBondContact O-N 3.34Å; L322-G326 WeakPolarHBondContact O-CA 3.23Å; L322-G326 PolarHBondContact O-N 2.89Å; L322-C339 HydrophobicContact CB-CB 4Å; L322-I366 HydrophobicContact CD2-CG2 4.1Å; L322-L367 HydrophobicContact CD2-CD2 3.65Å
323	Q	97.4	Very high	92	Very high	19 Å²	19	65.9 Å²	65.9	9%	0.089	35%	0.346	C	S	.	.	H	α-helix	trans	-63.3	-45.7	178.8	-173.9	-179.1	91.9	0	0	111.8	G319 D320 L321 H327 E328 R337	G319-Q323 VanDerWaalsContact O-CB 3.26Å; G319-Q323 WeakPolarHBondContact O-CB 3.26Å; G319-Q323 PolarHBondContact O-N 3.25Å; D320-Q323 PolarHBondContact O-N 3.32Å; L321-Q323 VanDerWaalsContact C-N 3.29Å; L321-Q323 PolarHBondContact O-N 3.17Å; Q323-H327 PolarHBondContact O-N 3.28Å; Q323-E328 HydrophobicContact CG-CB 4.14Å; Q323-E328 PolarHBondContact O-N 2.84Å; Q323-R337 PolarHBondContact NE2-O 3.49Å
324	T	97.1	Very high	90.9	Very high	86 Å²	86	65.9 Å²	65.9	53%	0.528	36%	0.36	S	S	.	.	H	α-helix	trans	-70.7	-53.4	-176.9	-56.9	0	0	0	0	111.5	D320 L321 G326 H327	D320-T324 VanDerWaalsContact O-CB 3.3Å; D320-T324 WeakPolarHBondContact O-CB 3.32Å; D320-T324 PolarHBondContact O-N 3.07Å; D320-T324 PolarHBondContact O-OG1 3.34Å; L321-T324 PolarHBondContact O-N 3.34Å; T324-G326 VanDerWaalsContact C-N 3.35Å; T324-G326 PolarHBondContact O-N 3.18Å; T324-H327 PolarHBondContact O-CD2 2.97Å; T324-H327 VanDerWaalsContact O-CD2 3.26Å; T324-H327 PolarHBondContact O-N 3.24Å
325	R	97.1	Very high	90	Very high	91 Å²	91	69.8 Å²	69.8	34%	0.343	37%	0.373	S	S	.	.	H	α-helix	trans	-64.3	-40.5	179.5	-72.7	-175.4	64.2	80.8	0.4	111.7	L321 H327 D365 I366	L321-R325 HydrophobicContact CD1-CG 4.12Å; L321-R325 WeakPolarHBondContact O-CB 3.2Å; L321-R325 PolarHBondContact O-N 2.64Å; R325-H327 PolarHBondContact O-CD2 2.6Å; R325-H327 PolarHBondContact O-N 3.48Å; R325-D365 PolarHBondContact NH2-O 3.47Å; R325-D365 VanDerWaalsContact NH2-O 3.09Å; R325-I366 HydrophobicContact CB-CD1 4.23Å; R325-I366 HydrophobicContact CB-CG2 3.87Å; R325-I366 PolarHBondContact NE-O 3.4Å; R325-I366 VanDerWaalsContact O-CD1 3.3Å; R325-I366 WeakPolarHBondContact O-CD1 3.42Å
326	G	95.7	Very high	89.7	Confident	5 Å²	5	69 Å²	69	5%	0.052	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-7.1	-178.7	0	0	0	0	0	115.1	Y301 L322 T324 E328 K363	Y301-G326 WeakPolarHBondContact OH-CA 3.3Å; L322-G326 WeakPolarHBondContact O-CA 3.23Å; L322-G326 PolarHBondContact O-N 2.89Å; T324-G326 VanDerWaalsContact C-N 3.35Å; T324-G326 PolarHBondContact O-N 3.18Å; G326-E328 VanDerWaalsContact C-N 3.32Å; G326-E328 PolarHBondContact O-N 3.44Å; G326-K363 PolarHBondContact O-NZ 2.84Å
327	H	94.3	Very high	89.5	Confident	89 Å²	89	67.4 Å²	67.4	41%	0.412	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	48.3	-171.9	-67.9	-150.9	0	0	0	112.2	Q323 T324 R325 W329	Q323-H327 PolarHBondContact O-N 3.28Å; T324-H327 PolarHBondContact O-CD2 2.97Å; T324-H327 VanDerWaalsContact O-CD2 3.26Å; T324-H327 PolarHBondContact O-N 3.24Å; R325-H327 PolarHBondContact O-CD2 2.6Å; R325-H327 PolarHBondContact O-N 3.48Å; H327-W329 VanDerWaalsContact C-N 3.29Å; H327-W329 VanDerWaalsContact CA-CH2 3.41Å; H327-W329 VanDerWaalsContact CA-CZ3 3.5Å; H327-W329 HydrophobicContact CB-CD2 4.4Å; H327-W329 HydrophobicContact CB-CH2 3.68Å; H327-W329 HydrophobicContact CB-CZ2 3.38Å; H327-W329 HydrophobicContact CB-CZ3 4.27Å; H327-W329 AromaticContact CD2-CH2 3.72Å; H327-W329 AromaticContact CD2-CZ2 3.99Å; H327-W329 AromaticContact CG-CH2 3.53Å; H327-W329 AromaticContact CG-CZ2 3.34Å; H327-W329 AromaticContact ND1-CZ2 3.49Å; H327-W329 WeakPolarHBondContact ND1-CZ2 3.42Å; H327-W329 PolarHBondContact O-N 2.94Å
328	E	94.1	Very high	89.4	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	33%	0.332	C	S	.	.			trans	-86.9	70.2	-169.9	-58.7	-67	-173.9	0	0	112.3	K299 Y301 T303 Q323 G326 R337 K363	K299-E328 IonicContact NZ-OE1 3.47Å; K299-E328 PolarHBondContact NZ-OE1 2.96Å; K299-E328 IonicContact NZ-OE2 3.74Å; Y301-E328 HydrophobicContact CE2-CG 4.11Å; Y301-E328 WeakPolarHBondContact CE2-OE1 3.33Å; Y301-E328 PolarHBondContact OH-OE1 3.05Å; T303-E328 HydrophobicContact CG2-CG 3.94Å; Q323-E328 HydrophobicContact CG-CB 4.14Å; Q323-E328 PolarHBondContact O-N 2.84Å; G326-E328 VanDerWaalsContact C-N 3.32Å; G326-E328 PolarHBondContact O-N 3.44Å; E328-R337 HydrophobicContact CB-CB 4.05Å; E328-R337 HydrophobicContact CB-CG 4.22Å; E328-R337 WeakPolarHBondContact O-CG 3.3Å; E328-R337 PolarHBondContact O-N 3.26Å; E328-R337 WeakPolarHBondContact OE2-CD 3.17Å; E328-R337 IonicContact OE2-CZ 2.97Å; E328-R337 IonicContact OE2-NE 2.61Å; E328-R337 IonicContact OE2-NH1 3.78Å; E328-R337 PolarHBondContact OE2-NH1 3.23Å; E328-K363 VanDerWaalsContact CD-NZ 3.34Å; E328-K363 IonicContact OE1-NZ 3.75Å; E328-K363 PolarHBondContact OE1-NZ 3.26Å; E328-K363 IonicContact OE2-NZ 3.88Å
329	W	88.1	Confident	89.4	Confident	105 Å²	105	61.7 Å²	61.7	40%	0.398	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-133.9	150.1	173.2	42.8	82.5	0	0	0	111	H327 V331 R335 R337	H327-W329 VanDerWaalsContact C-N 3.29Å; H327-W329 VanDerWaalsContact CA-CH2 3.41Å; H327-W329 VanDerWaalsContact CA-CZ3 3.5Å; H327-W329 HydrophobicContact CB-CD2 4.4Å; H327-W329 HydrophobicContact CB-CH2 3.68Å; H327-W329 HydrophobicContact CB-CZ2 3.38Å; H327-W329 HydrophobicContact CB-CZ3 4.27Å; H327-W329 AromaticContact CD2-CH2 3.72Å; H327-W329 AromaticContact CD2-CZ2 3.99Å; H327-W329 AromaticContact CG-CH2 3.53Å; H327-W329 AromaticContact CG-CZ2 3.34Å; H327-W329 AromaticContact ND1-CZ2 3.49Å; H327-W329 WeakPolarHBondContact ND1-CZ2 3.42Å; H327-W329 PolarHBondContact O-N 2.94Å; W329-V331 PolarHBondContact O-N 2.83Å; W329-R335 CarbonylContact C-O 3.5Å; W329-R335 WeakPolarHBondContact CA-O 2.99Å; W329-R337 PolarHBondContact O-NH1 3.21Å; W329-R337 PolarHBondContact O-NH2 3.46Å
330	G	79.2	Confident	89.4	Confident	15 Å²	15	61.5 Å²	61.5	16%	0.155	32%	0.322	C	S	.	.			trans	-65.4	128.8	174.3	0	0	0	0	0	111.2	T332 G334 R335	G330-T332 VanDerWaalsContact C-N 3.32Å; G330-T332 PolarHBondContact O-N 2.99Å; G330-G334 VanDerWaalsContact O-CA 3.29Å; G330-G334 WeakPolarHBondContact O-CA 3.42Å; G330-G334 PolarHBondContact O-N 2.81Å; G330-R335 PolarHBondContact N-O 3.06Å
331	V	69.1	Low	89.5	Confident	114 Å²	114	57.6 Å²	57.6	69%	0.691	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-39.1	-176.4	-178.3	0	0	0	0	111.8	W329	W329-V331 PolarHBondContact O-N 2.83Å
332	T	65.9	Low	89.5	Confident	120 Å²	120	55 Å²	55	74%	0.736	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-40.3	179.9	-42	0	0	0	0	113.1	G330	G330-T332 VanDerWaalsContact C-N 3.32Å; G330-T332 PolarHBondContact O-N 2.99Å
333	T	69.8	Low	89.5	Confident	112 Å²	112	54.9 Å²	54.9	69%	0.687	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.4	-16.6	-169.3	60.3	0	0	0	0	113.7	R335	T333-R335 PolarHBondContact O-N 3.41Å; T333-R335 VanDerWaalsContact O-N 3.12Å; T333-R335 PolarHBondContact OG1-N 3.34Å
334	G	76.5	Confident	89.6	Confident	51 Å²	51	54 Å²	54	53%	0.526	28%	0.282	S	S	.	.			trans	66.9	2	-170.5	0	0	0	0	0	114.4	G330 K336	G330-G334 VanDerWaalsContact O-CA 3.29Å; G330-G334 WeakPolarHBondContact O-CA 3.42Å; G330-G334 PolarHBondContact O-N 2.81Å; G334-K336 PolarHBondContact O-N 2.9Å
335	R	80.3	Confident	89.6	Confident	117 Å²	117	50.4 Å²	50.4	44%	0.442	26%	0.259	S	S	.	.	P	Polyproline II helix	trans	-66.4	124.8	-176.2	-172.1	178.7	-179.3	178.3	3.2	110.1	W329 G330 T333	W329-R335 CarbonylContact C-O 3.5Å; W329-R335 WeakPolarHBondContact CA-O 2.99Å; G330-R335 PolarHBondContact N-O 3.06Å; T333-R335 PolarHBondContact O-N 3.41Å; T333-R335 VanDerWaalsContact O-N 3.12Å; T333-R335 PolarHBondContact OG1-N 3.34Å
336	K	90.4	Very high	89.7	Confident	136 Å²	136	46 Å²	46	59%	0.591	24%	0.243	S	C	*	.	B	Isolated β-bridge	trans	-57.7	135	172.2	-77.6	179.6	164.5	-140.9	0	111.3	G334	G334-K336 PolarHBondContact O-N 2.9Å
337	R	94.2	Very high	89.8	Confident	21 Å²	21	45.8 Å²	45.8	8%	0.079	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-87.7	142.6	172.5	-48.2	-172.6	171.5	102.9	3.6	110	D43 V305 Q323 E328 W329 C339	D43-R337 IonicContact OD1-CZ 2.78Å; D43-R337 IonicContact OD1-NE 2.75Å; D43-R337 IonicContact OD1-NH2 3.64Å; D43-R337 PolarHBondContact OD1-NH2 2.78Å; D43-R337 WeakPolarHBondContact OD2-CD 3.31Å; D43-R337 IonicContact OD2-CZ 3.97Å; D43-R337 IonicContact OD2-NE 3.42Å; D43-R337 PolarHBondContact OD2-NE 3.15Å; D43-R337 IonicContact OD2-NH2 3.82Å; V305-R337 HydrophobicContact CG2-CB 4.35Å; V305-R337 HydrophobicContact CG2-CG 3.76Å; Q323-R337 PolarHBondContact NE2-O 3.49Å; E328-R337 HydrophobicContact CB-CB 4.05Å; E328-R337 HydrophobicContact CB-CG 4.22Å; E328-R337 WeakPolarHBondContact O-CG 3.3Å; E328-R337 PolarHBondContact O-N 3.26Å; E328-R337 WeakPolarHBondContact OE2-CD 3.17Å; E328-R337 IonicContact OE2-CZ 2.97Å; E328-R337 IonicContact OE2-NE 2.61Å; E328-R337 IonicContact OE2-NH1 3.78Å; E328-R337 PolarHBondContact OE2-NH1 3.23Å; W329-R337 PolarHBondContact O-NH1 3.21Å; W329-R337 PolarHBondContact O-NH2 3.46Å; R337-C339 PolarHBondContact O-SG 3.26Å
338	R	96.9	Very high	90	Very high	55 Å²	55	44.7 Å²	44.7	21%	0.208	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	138	170.1	-65.2	162.8	64.6	-162.4	3.1	108.3	T303 R304 G306 G308 F310 E313	T303-R338 CarbonylContact C-O 3.56Å; T303-R338 WeakPolarHBondContact CA-O 3.28Å; T303-R338 WeakPolarHBondContact CB-O 3.37Å; R304-R338 PolarHBondContact N-O 2.95Å; R304-R338 WeakPolarHBondContact O-CB 3.48Å; R304-R338 PolarHBondContact O-N 3.43Å; G306-R338 WeakPolarHBondContact O-CD 3.19Å; G306-R338 PolarHBondContact O-NH1 3.41Å; G306-R338 VanDerWaalsContact O-NH1 3.13Å; G308-R338 PolarHBondContact O-NH1 3Å; G308-R338 PolarHBondContact O-NH2 2.82Å; G308-R338 VanDerWaalsContact O-NH2 3.07Å; F310-R338 HydrophobicContact CD1-CB 3.92Å; F310-R338 HydrophobicContact CE1-CB 3.91Å; E313-R338 VanDerWaalsContact CD-NE 3.31Å; E313-R338 VanDerWaalsContact OE1-CB 3.28Å; E313-R338 WeakPolarHBondContact OE1-CB 3.45Å; E313-R338 WeakPolarHBondContact OE1-CD 3.39Å; E313-R338 WeakPolarHBondContact OE1-CG 3.3Å; E313-R338 IonicContact OE1-CZ 3.95Å; E313-R338 IonicContact OE1-NE 3.55Å; E313-R338 PolarHBondContact OE1-NE 2.84Å; E313-R338 IonicContact OE1-NH2 2.9Å; E313-R338 IonicContact OE2-CZ 2.86Å; E313-R338 IonicContact OE2-NE 2.76Å; E313-R338 PolarHBondContact OE2-NE 3.35Å; E313-R338 IonicContact OE2-NH2 2.87Å; E313-R338 PolarHBondContact OE2-NH2 3.46Å
339	C	98.6	Very high	90.3	Very high	4 Å²	4	46.8 Å²	46.8	3%	0.027	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	145.5	-174.9	-65	0	0	0	0	110.5	Q314 L322 R337	Q314-C339 PolarHBondContact N-O 2.98Å; L322-C339 HydrophobicContact CB-CB 4Å; R337-C339 PolarHBondContact O-SG 3.26Å
340	G	98.7	Very high	90.8	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	171.6	-178	0	0	0	0	0	112.2	Y301 T302 T312	Y301-G340 WeakPolarHBondContact CB-O 3.34Å; T302-G340 PolarHBondContact N-O 3.31Å; T302-G340 PolarHBondContact O-N 2.91Å; T312-G340 CarbonylContact O-C 3.56Å; T312-G340 WeakPolarHBondContact O-CA 3.46Å
341	W	98.9	Very high	91.7	Very high	12 Å²	12	43.4 Å²	43.4	5%	0.045	23%	0.225	C	C	.	.			trans	-61.8	159.2	177.3	-66.4	120.7	0	0	0	112.4	T302 T312 Q314 I318 D343 L370 I373 K374 Y403	T302-W341 WeakPolarHBondContact CB-O 3.41Å; T302-W341 PolarHBondContact OG1-O 3.02Å; T312-W341 WeakPolarHBondContact CB-O 3.37Å; T312-W341 PolarHBondContact O-N 3.41Å; T312-W341 VanDerWaalsContact O-N 3.08Å; T312-W341 PolarHBondContact OG1-O 3.21Å; Q314-W341 VanDerWaalsContact CD-CD1 3.42Å; Q314-W341 HydrophobicContact CG-CG 4.35Å; I318-W341 HydrophobicContact CB-CZ2 4.26Å; I318-W341 HydrophobicContact CD1-CH2 4.44Å; I318-W341 HydrophobicContact CD1-CZ2 4.47Å; I318-W341 HydrophobicContact CG1-CH2 4.46Å; I318-W341 HydrophobicContact CG1-CZ2 4.07Å; I318-W341 HydrophobicContact CG2-CH2 3.45Å; I318-W341 VanDerWaalsContact CG2-CH2 3.45Å; I318-W341 HydrophobicContact CG2-CZ2 3.42Å; I318-W341 VanDerWaalsContact CG2-CZ2 3.42Å; I318-W341 HydrophobicContact CG2-CZ3 4.04Å; W341-D343 PolarHBondContact O-N 2.88Å; W341-L370 HydrophobicContact CH2-CD1 3.91Å; W341-L370 HydrophobicContact CZ3-CD1 3.77Å; W341-I373 HydrophobicContact CE3-CG2 4.22Å; W341-I373 HydrophobicContact CZ3-CG2 3.99Å; W341-K374 WeakPolarHBondContact CB-O 3.46Å; W341-K374 HydrophobicContact CD2-CB 3.95Å; W341-K374 HydrophobicContact CG-CB 3.96Å; W341-K374 HydrophobicContact CZ2-CB 4.36Å; W341-Y403 HydrophobicContact CB-CE1 4.06Å; W341-Y403 AromaticContact CD1-CE1 3.77Å; W341-Y403 HydrophobicContact CG-CE1 4.22Å
342	L	98.9	Very high	93.1	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	136.6	169.4	179.4	64.8	0	0	0	109.2	V298 L344 V375 G376 Y429 V433	V298-L342 HydrophobicContact CG2-CD1 3.98Å; L342-L344 HydrophobicContact CD2-CD2 4.17Å; L342-V375 HydrophobicContact CB-CG1 4.16Å; L342-V375 HydrophobicContact CD2-CG1 4.17Å; L342-V375 HydrophobicContact CG-CG1 4.19Å; L342-G376 PolarHBondContact O-N 3.26Å; L342-Y429 WeakPolarHBondContact CB-OH 3.25Å; L342-Y429 HydrophobicContact CD2-CE1 4.49Å; L342-Y429 WeakPolarHBondContact CD2-OH 3.43Å; L342-V433 HydrophobicContact CD2-CG2 3.48Å; L342-V433 VanDerWaalsContact CD2-CG2 3.48Å
343	D	98.8	Very high	94.7	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	116.6	-180	-173.8	-41.4	0	0	0	109.5	T312 W341 M345 I346 L347 Y379	T312-D343 HydrophobicContact CG2-CB 3.79Å; T312-D343 WeakPolarHBondContact CG2-OD2 3.3Å; W341-D343 PolarHBondContact O-N 2.88Å; D343-M345 WeakPolarHBondContact OD1-CA 3.27Å; D343-M345 VanDerWaalsContact OD1-CB 3.28Å; D343-M345 WeakPolarHBondContact OD1-CB 3.48Å; D343-M345 PolarHBondContact OD1-N 2.67Å; D343-I346 HydrophobicContact CB-CD1 3.78Å; D343-I346 HydrophobicContact CB-CG1 3.78Å; D343-I346 HydrophobicContact CB-CG2 4.48Å; D343-I346 WeakPolarHBondContact O-CG1 3.26Å; D343-I346 PolarHBondContact OD1-N 3.43Å; D343-L347 PolarHBondContact O-N 2.91Å; D343-Y379 VanDerWaalsContact CG-OH 3.26Å; D343-Y379 PolarHBondContact OD1-OH 3.49Å; D343-Y379 WeakPolarHBondContact OD2-CE1 3.49Å; D343-Y379 VanDerWaalsContact OD2-CZ 3.32Å; D343-Y379 PolarHBondContact OD2-OH 3.35Å
344	L	98.6	Very high	96.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-87.1	-16.7	-179.3	-64.5	170.2	0	0	0	112.5	L342 L347 R348 V375 G376 I377 F432 V433 H436 V437	L342-L344 HydrophobicContact CD2-CD2 4.17Å; L344-L347 HydrophobicContact CD2-CD2 4.05Å; L344-R348 WeakPolarHBondContact O-CB 3.3Å; L344-R348 WeakPolarHBondContact O-CG 3.34Å; L344-R348 PolarHBondContact O-N 2.9Å; L344-V375 HydrophobicContact CD1-CG1 3.51Å; L344-V375 HydrophobicContact CD2-CG1 4.45Å; L344-V375 HydrophobicContact CG-CG1 3.63Å; L344-G376 WeakPolarHBondContact CB-O 3.41Å; L344-G376 PolarHBondContact N-O 3.22Å; L344-I377 HydrophobicContact CD1-CG2 4.01Å; L344-F432 HydrophobicContact CD1-CD1 4.2Å; L344-F432 HydrophobicContact CD1-CE1 3.62Å; L344-V433 HydrophobicContact CD2-CG1 4.43Å; L344-H436 HydrophobicContact CD1-CB 3.6Å; L344-H436 HydrophobicContact CD2-CB 4.25Å; L344-H436 HydrophobicContact CG-CB 4.39Å; L344-V437 HydrophobicContact CD2-CG2 4.16Å
345	M	98.4	Very high	97.1	Very high	10 Å²	10	34.8 Å²	34.8	5%	0.049	16%	0.164	C	C	.	.	H	α-helix	trans	-65.2	-46.9	170.9	-74.8	-69.2	-64.1	0	0	109.8	D343 R348 Y349 Y379 Y388	D343-M345 WeakPolarHBondContact OD1-CA 3.27Å; D343-M345 VanDerWaalsContact OD1-CB 3.28Å; D343-M345 WeakPolarHBondContact OD1-CB 3.48Å; D343-M345 PolarHBondContact OD1-N 2.67Å; M345-R348 PolarHBondContact SD-NH2 3.12Å; M345-Y349 WeakPolarHBondContact O-CB 3.27Å; M345-Y349 PolarHBondContact O-N 3.48Å; M345-Y349 VanDerWaalsContact O-N 3.09Å; M345-Y379 HydrophobicContact CB-CD1 4.36Å; M345-Y379 HydrophobicContact CB-CD2 4.15Å; M345-Y379 HydrophobicContact CB-CE1 3.99Å; M345-Y379 HydrophobicContact CB-CE2 3.81Å; M345-Y379 HydrophobicContact CB-CG 4.41Å; M345-Y379 HydrophobicContact CE-CD2 3.94Å; M345-Y379 HydrophobicContact CE-CG 4.24Å; M345-Y379 HydrophobicContact CG-CD1 3.86Å; M345-Y379 HydrophobicContact CG-CD2 4.06Å; M345-Y379 HydrophobicContact CG-CE1 3.96Å; M345-Y379 HydrophobicContact CG-CE2 4.19Å; M345-Y379 HydrophobicContact CG-CG 3.88Å; M345-Y388 WeakPolarHBondContact CE-O 3.43Å
346	I	98.4	Very high	98	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.7	-36.2	177.7	70.8	179.9	0	0	0	112.3	Q40 W41 L259 T302 D343 Y349 A350 F389	Q40-I346 HydrophobicContact CB-CD1 4.5Å; Q40-I346 HydrophobicContact CG-CD1 4.16Å; W41-I346 HydrophobicContact CE3-CD1 4.16Å; W41-I346 HydrophobicContact CH2-CD1 4.22Å; W41-I346 HydrophobicContact CH2-CG2 3.94Å; W41-I346 HydrophobicContact CZ3-CD1 3.58Å; W41-I346 HydrophobicContact CZ3-CG2 4.36Å; L259-I346 HydrophobicContact CD1-CB 3.63Å; L259-I346 HydrophobicContact CD1-CD1 3.69Å; L259-I346 HydrophobicContact CD1-CG1 4.06Å; L259-I346 HydrophobicContact CD1-CG2 3.95Å; L259-I346 HydrophobicContact CD2-CB 4.37Å; T302-I346 HydrophobicContact CG2-CD1 3.94Å; D343-I346 HydrophobicContact CB-CD1 3.78Å; D343-I346 HydrophobicContact CB-CG1 3.78Å; D343-I346 HydrophobicContact CB-CG2 4.48Å; D343-I346 WeakPolarHBondContact O-CG1 3.26Å; D343-I346 PolarHBondContact OD1-N 3.43Å; I346-Y349 PolarHBondContact O-N 3.45Å; I346-A350 WeakPolarHBondContact O-CB 2.91Å; I346-A350 PolarHBondContact O-N 3.04Å; I346-F389 HydrophobicContact CG2-CD2 4Å; I346-F389 HydrophobicContact CG2-CE2 3.53Å; I346-F389 HydrophobicContact CG2-CZ 4.23Å
347	L	98.6	Very high	98.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-71	-42.5	-177.6	-172.5	56.6	0	0	0	111.7	A39 V298 D343 L344 Y349 A350 H351 V433 V437	A39-L347 HydrophobicContact CB-CD1 3.59Å; V298-L347 HydrophobicContact CB-CD1 4.05Å; V298-L347 HydrophobicContact CG2-CD1 3.98Å; V298-L347 HydrophobicContact CG2-CD2 3.87Å; D343-L347 PolarHBondContact O-N 2.91Å; L344-L347 HydrophobicContact CD2-CD2 4.05Å; L347-Y349 VanDerWaalsContact C-N 3.32Å; L347-Y349 PolarHBondContact O-N 3.1Å; L347-A350 PolarHBondContact O-N 3.2Å; L347-H351 PolarHBondContact O-N 3.26Å; L347-V433 HydrophobicContact CD2-CG1 3.86Å; L347-V437 HydrophobicContact CB-CG2 4.34Å; L347-V437 HydrophobicContact CD2-CG2 3.46Å; L347-V437 VanDerWaalsContact CD2-CG2 3.46Å; L347-V437 HydrophobicContact CG-CG1 4.38Å; L347-V437 HydrophobicContact CG-CG2 3.64Å
348	R	98.7	Very high	98.6	Very high	66 Å²	66	25.3 Å²	25.3	25%	0.249	13%	0.133	C	C	.	.	H	α-helix	trans	-61.4	-41.5	170.8	-75.6	-169.6	-60.4	-93.6	0.6	111.6	L344 M345 H351 M352 I377 H436	L344-R348 WeakPolarHBondContact O-CB 3.3Å; L344-R348 WeakPolarHBondContact O-CG 3.34Å; L344-R348 PolarHBondContact O-N 2.9Å; M345-R348 PolarHBondContact SD-NH2 3.12Å; R348-H351 PolarHBondContact O-N 3.02Å; R348-M352 WeakPolarHBondContact O-CG 3.31Å; R348-M352 PolarHBondContact O-N 3.4Å; R348-I377 PolarHBondContact NH1-O 3.34Å; R348-I377 PolarHBondContact NH2-O 2.85Å; R348-H436 VanDerWaalsContact CD-O 3.26Å; R348-H436 WeakPolarHBondContact CD-O 3.37Å; R348-H436 WeakPolarHBondContact CG-O 3.26Å
349	Y	98.8	Very high	98.7	Very high	44 Å²	44	22.7 Å²	22.7	17%	0.173	12%	0.123	C	C	.	.	H	α-helix	trans	-61.4	-47.4	175.9	172.8	-102.9	0	0	0	112.5	L259 F264 M345 I346 L347 H351 M352 V353 F389	L259-Y349 HydrophobicContact CD2-CD1 3.83Å; L259-Y349 HydrophobicContact CD2-CE1 4.01Å; F264-Y349 WeakPolarHBondContact CA-OH 3.19Å; F264-Y349 HydrophobicContact CB-CE1 4.5Å; F264-Y349 WeakPolarHBondContact CB-OH 3.44Å; F264-Y349 WeakPolarHBondContact O-CE1 3.2Å; F264-Y349 PolarHBondContact O-OH 3Å; M345-Y349 WeakPolarHBondContact O-CB 3.27Å; M345-Y349 PolarHBondContact O-N 3.48Å; M345-Y349 VanDerWaalsContact O-N 3.09Å; I346-Y349 PolarHBondContact O-N 3.45Å; L347-Y349 VanDerWaalsContact C-N 3.32Å; L347-Y349 PolarHBondContact O-N 3.1Å; Y349-H351 VanDerWaalsContact C-N 3.26Å; Y349-H351 PolarHBondContact O-N 3.46Å; Y349-M352 HydrophobicContact CD2-CE 4.11Å; Y349-M352 PolarHBondContact O-N 2.66Å; Y349-V353 HydrophobicContact CE2-CG2 4.28Å; Y349-V353 PolarHBondContact O-N 3.33Å; Y349-F389 HydrophobicContact CD1-CB 4.26Å; Y349-F389 AromaticContact CD1-CD1 3.95Å; Y349-F389 HydrophobicContact CD1-CD1 3.95Å; Y349-F389 HydrophobicContact CD1-CG 4.21Å; Y349-F389 HydrophobicContact CD2-CB 3.75Å; Y349-F389 AromaticContact CE1-CD1 3.96Å; Y349-F389 HydrophobicContact CE1-CD1 3.96Å; Y349-F389 HydrophobicContact CE2-CB 4.33Å; Y349-F389 HydrophobicContact CG-CB 3.7Å; Y349-F389 HydrophobicContact CG-CD1 4.24Å; Y349-F389 HydrophobicContact CG-CG 4.13Å
350	A	98.8	Very high	98.7	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-59.4	-37.4	173.8	0	0	0	0	0	112.1	A39 A258 I346 L347 V353 N354 F356	A39-A350 HydrophobicContact CB-CB 4.41Å; A39-A350 WeakPolarHBondContact O-CB 3.2Å; A258-A350 HydrophobicContact CB-CB 3.83Å; I346-A350 WeakPolarHBondContact O-CB 2.91Å; I346-A350 PolarHBondContact O-N 3.04Å; L347-A350 PolarHBondContact O-N 3.2Å; A350-V353 PolarHBondContact O-N 3.31Å; A350-N354 WeakPolarHBondContact O-CB 3.25Å; A350-N354 PolarHBondContact O-N 3.32Å; A350-N354 PolarHBondContact O-ND2 3.3Å; A350-F356 HydrophobicContact CB-CE2 4.07Å; A350-F356 HydrophobicContact CB-CZ 4.44Å
351	H	98.8	Very high	98.7	Very high	48 Å²	48	22.5 Å²	22.5	22%	0.222	12%	0.121	C	C	.	.	H	α-helix	trans	-66.6	-43.3	174.5	178.3	58.6	0	0	0	112.5	L347 R348 Y349 V353 N354 G355 F356 V437 V439	L347-H351 PolarHBondContact O-N 3.26Å; R348-H351 PolarHBondContact O-N 3.02Å; Y349-H351 VanDerWaalsContact C-N 3.26Å; Y349-H351 PolarHBondContact O-N 3.46Å; H351-V353 PolarHBondContact O-N 3.48Å; H351-N354 PolarHBondContact O-N 3.11Å; H351-G355 WeakPolarHBondContact O-CA 3.26Å; H351-G355 PolarHBondContact O-N 3.25Å; H351-F356 HydrophobicContact CB-CD2 3.95Å; H351-F356 HydrophobicContact CB-CE2 4.47Å; H351-F356 PolarHBondContact CE1-O 3.37Å; H351-F356 AromaticContact ND1-CD2 3.98Å; H351-F356 PolarHBondContact ND1-N 3.46Å; H351-F356 VanDerWaalsContact ND1-N 3.16Å; H351-V437 HydrophobicContact CB-CG1 4.04Å; H351-V439 WeakPolarHBondContact CE1-CG2 3.4Å; H351-V439 WeakPolarHBondContact ND1-CG2 3.09Å
352	M	98.8	Very high	98.7	Very high	129 Å²	129	22 Å²	22	64%	0.635	12%	0.12	S	C	*	.	H	α-helix	trans	-56	-36.9	176.7	-72.8	-172.6	-71.5	0	0	112.2	R348 Y349	R348-M352 WeakPolarHBondContact O-CG 3.31Å; R348-M352 PolarHBondContact O-N 3.4Å; Y349-M352 HydrophobicContact CD2-CE 4.11Å; Y349-M352 PolarHBondContact O-N 2.66Å
353	V	98.8	Very high	98.7	Very high	38 Å²	38	23.7 Å²	23.7	23%	0.23	13%	0.127	C	C	.	.	H	α-helix	trans	-80.9	-38.9	179.8	179.6	0	0	0	0	112.4	F264 T276 Y349 A350 H351	F264-V353 HydrophobicContact CB-CG2 4.48Å; F264-V353 HydrophobicContact CD1-CG1 4.42Å; F264-V353 HydrophobicContact CD1-CG2 4.25Å; F264-V353 HydrophobicContact CD2-CG1 3.75Å; F264-V353 HydrophobicContact CE2-CG1 4Å; F264-V353 HydrophobicContact CG-CG1 3.97Å; F264-V353 HydrophobicContact CG-CG2 4.27Å; F264-V353 HydrophobicContact CZ-CG1 4.45Å; T276-V353 HydrophobicContact CG2-CG1 3.63Å; Y349-V353 HydrophobicContact CE2-CG2 4.28Å; Y349-V353 PolarHBondContact O-N 3.33Å; A350-V353 PolarHBondContact O-N 3.31Å; H351-V353 PolarHBondContact O-N 3.48Å
354	N	98.8	Very high	98.7	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.027	13%	0.127	C	C	.	.	H	α-helix	trans	-99.6	-18.3	-169.5	-66.3	-61.5	0	0	0	115	L37 T276 V277 A350 H351 F356	L37-N354 HydrophobicContact CD1-CB 4.27Å; L37-N354 WeakPolarHBondContact CD1-OD1 3.31Å; T276-N354 WeakPolarHBondContact CA-OD1 3.44Å; T276-N354 WeakPolarHBondContact CB-OD1 3.22Å; T276-N354 WeakPolarHBondContact CG2-OD1 3.45Å; V277-N354 PolarHBondContact N-OD1 2.87Å; A350-N354 WeakPolarHBondContact O-CB 3.25Å; A350-N354 PolarHBondContact O-N 3.32Å; A350-N354 PolarHBondContact O-ND2 3.3Å; H351-N354 PolarHBondContact O-N 3.11Å; N354-F356 HydrophobicContact CB-CD1 3.89Å; N354-F356 HydrophobicContact CB-CE1 3.45Å; N354-F356 VanDerWaalsContact CB-CE1 3.45Å; N354-F356 HydrophobicContact CB-CE2 4.31Å; N354-F356 HydrophobicContact CB-CG 4.46Å; N354-F356 HydrophobicContact CB-CZ 3.7Å; N354-F356 PolarHBondContact O-N 3.17Å
355	G	98.6	Very high	98.6	Very high	44 Å²	44	24.7 Å²	24.7	45%	0.454	13%	0.132	S	C	.	.			trans	59.2	46	-177.5	0	0	0	0	0	113.2	H351 T357	H351-G355 WeakPolarHBondContact O-CA 3.26Å; H351-G355 PolarHBondContact O-N 3.25Å; G355-T357 PolarHBondContact O-N 3.49Å
356	F	98.9	Very high	98.7	Very high	7 Å²	7	24.7 Å²	24.7	3%	0.031	13%	0.133	C	C	.	.			trans	-51.5	131.3	-177.8	-61.2	-49.3	0	0	0	112.9	L37 A39 V294 G296 A350 H351 N354 L359 V439	L37-F356 HydrophobicContact CB-CE1 4.17Å; A39-F356 HydrophobicContact CB-CE2 3.95Å; A39-F356 HydrophobicContact CB-CZ 4.03Å; V294-F356 HydrophobicContact CG1-CD1 3.96Å; V294-F356 HydrophobicContact CG1-CE1 4.35Å; V294-F356 CarbonylContact O-C 3.6Å; V294-F356 VanDerWaalsContact O-CA 3.26Å; V294-F356 WeakPolarHBondContact O-CA 3.47Å; G296-F356 VanDerWaalsContact CA-CD1 3.42Å; A350-F356 HydrophobicContact CB-CE2 4.07Å; A350-F356 HydrophobicContact CB-CZ 4.44Å; H351-F356 HydrophobicContact CB-CD2 3.95Å; H351-F356 HydrophobicContact CB-CE2 4.47Å; H351-F356 PolarHBondContact CE1-O 3.37Å; H351-F356 AromaticContact ND1-CD2 3.98Å; H351-F356 PolarHBondContact ND1-N 3.46Å; H351-F356 VanDerWaalsContact ND1-N 3.16Å; N354-F356 HydrophobicContact CB-CD1 3.89Å; N354-F356 HydrophobicContact CB-CE1 3.45Å; N354-F356 VanDerWaalsContact CB-CE1 3.45Å; N354-F356 HydrophobicContact CB-CE2 4.31Å; N354-F356 HydrophobicContact CB-CG 4.46Å; N354-F356 HydrophobicContact CB-CZ 3.7Å; N354-F356 PolarHBondContact O-N 3.17Å; F356-L359 HydrophobicContact CB-CD2 4.24Å; F356-L359 HydrophobicContact CD2-CD2 3.89Å; F356-L359 HydrophobicContact CG-CD2 4.2Å; F356-V439 HydrophobicContact CB-CG1 4.2Å; F356-V439 HydrophobicContact CB-CG2 4.5Å
357	T	98.8	Very high	98.7	Very high	66 Å²	66	24.8 Å²	24.8	41%	0.405	13%	0.133	S	C	.	.	S	Bend	trans	-87.6	-28.9	175.5	63.4	0	0	0	0	112.1	D293 V294 G355	D293-T357 WeakPolarHBondContact CA-OG1 3.3Å; D293-T357 PolarHBondContact OD1-OG1 3.27Å; V294-T357 PolarHBondContact N-OG1 2.97Å; V294-T357 VanDerWaalsContact N-OG1 3.08Å; V294-T357 PolarHBondContact O-N 3.42Å; G355-T357 PolarHBondContact O-N 3.49Å
358	A	98.8	Very high	98.7	Very high	3 Å²	3	25 Å²	25	3%	0.025	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	165.4	168.3	0	0	0	0	0	111.2	Y295 G296 A440 K442 F457	Y295-A358 WeakPolarHBondContact CA-O 3.16Å; Y295-A358 HydrophobicContact CD1-CB 3.85Å; Y295-A358 HydrophobicContact CE1-CB 4.03Å; G296-A358 PolarHBondContact N-O 2.87Å; A358-A440 CarbonylContact C-O 3.51Å; A358-A440 WeakPolarHBondContact CA-O 3.47Å; A358-K442 HydrophobicContact CB-CB 3.74Å; A358-K442 HydrophobicContact CB-CD 4.35Å; A358-F457 HydrophobicContact CB-CZ 4.42Å
359	L	98.9	Very high	98.7	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	150.7	176	-59.8	177.5	0	0	0	111.9	G296 V298 F356 V433 V437 V439 A440 V441 K442 W443	G296-L359 CarbonylContact O-C 3.5Å; G296-L359 VanDerWaalsContact O-CA 3.28Å; G296-L359 WeakPolarHBondContact O-CA 3.41Å; V298-L359 HydrophobicContact CG1-CB 4.24Å; V298-L359 HydrophobicContact CG1-CD1 4.43Å; F356-L359 HydrophobicContact CB-CD2 4.24Å; F356-L359 HydrophobicContact CD2-CD2 3.89Å; F356-L359 HydrophobicContact CG-CD2 4.2Å; L359-V433 HydrophobicContact CD1-CG1 4.35Å; L359-V437 HydrophobicContact CD1-CB 4.49Å; L359-V437 HydrophobicContact CD1-CG1 4.33Å; L359-V439 HydrophobicContact CD1-CB 4.28Å; L359-V439 HydrophobicContact CD2-CG1 4.29Å; L359-V439 HydrophobicContact CG-CB 4.11Å; L359-V439 HydrophobicContact CG-CG1 3.83Å; L359-A440 PolarHBondContact N-O 3.39Å; L359-V441 HydrophobicContact CB-CG2 4.02Å; L359-V441 HydrophobicContact CD1-CG2 4.39Å; L359-V441 CarbonylContact O-C 3.52Å; L359-V441 WeakPolarHBondContact O-CA 3.24Å; L359-K442 PolarHBondContact O-N 3.46Å; L359-W443 PolarHBondContact O-N 2.93Å
360	A	98.7	Very high	98.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	107.9	163.2	0	0	0	0	0	108.5	V49 G296 V297 V298 W443	V49-A360 HydrophobicContact CG1-CB 4.5Å; V49-A360 HydrophobicContact CG2-CB 3.61Å; G296-A360 PolarHBondContact O-N 3.02Å; V297-A360 HydrophobicContact CG1-CB 4.48Å; V297-A360 HydrophobicContact CG2-CB 4.34Å; V298-A360 PolarHBondContact N-O 3.35Å; V298-A360 VanDerWaalsContact O-O 3.07Å; A360-W443 CarbonylContact C-O 3.59Å; A360-W443 WeakPolarHBondContact CA-O 3.34Å; A360-W443 HydrophobicContact CB-CB 4.08Å; A360-W443 HydrophobicContact CB-CE3 4.2Å
361	L	98.8	Very high	98.6	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	109.5	179	-173.8	70	0	0	0	110.1	V298 A300 L364 Y429 I430 V441 W443 V444 G445	V298-L361 HydrophobicContact CG1-CB 4.41Å; V298-L361 HydrophobicContact CG1-CD1 3.86Å; V298-L361 HydrophobicContact CG2-CD1 4.28Å; V298-L361 CarbonylContact O-C 3.59Å; V298-L361 VanDerWaalsContact O-CA 3.27Å; V298-L361 WeakPolarHBondContact O-CA 3.43Å; A300-L361 HydrophobicContact CB-CD1 4.28Å; A300-L361 HydrophobicContact CB-CG 4.48Å; L361-L364 HydrophobicContact CD2-CD1 4.26Å; L361-Y429 HydrophobicContact CD2-CD1 4.26Å; L361-Y429 HydrophobicContact CD2-CE1 4.22Å; L361-I430 HydrophobicContact CD2-CG1 3.76Å; L361-V441 HydrophobicContact CB-CG1 3.98Å; L361-V441 HydrophobicContact CB-CG2 4.46Å; L361-W443 PolarHBondContact N-O 3.49Å; L361-V444 CarbonylContact O-C 3.55Å; L361-V444 VanDerWaalsContact O-CA 3.28Å; L361-V444 WeakPolarHBondContact O-CA 3.34Å; L361-G445 PolarHBondContact O-N 2.91Å
362	T	98.4	Very high	98.6	Very high	2 Å²	2	29 Å²	29	1%	0.012	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	158.8	-173.2	68.3	0	0	0	0	112.8	E44 V297 V298 K299 A300 L364 M453	E44-T362 WeakPolarHBondContact O-CB 3.5Å; E44-T362 WeakPolarHBondContact O-CG2 3.3Å; E44-T362 PolarHBondContact O-OG1 2.98Å; V297-T362 HydrophobicContact CG1-CG2 3.72Å; V298-T362 PolarHBondContact O-N 3.24Å; V298-T362 PolarHBondContact O-OG1 3.2Å; K299-T362 WeakPolarHBondContact CA-OG1 3.27Å; A300-T362 PolarHBondContact N-O 3.01Å; T362-L364 VanDerWaalsContact C-N 3.3Å; T362-L364 PolarHBondContact O-N 3.01Å; T362-M453 HydrophobicContact CG2-CE 4.45Å
363	K	98	Very high	98.6	Very high	35 Å²	35	22.9 Å²	22.9	15%	0.152	14%	0.141	C	C	.	.			trans	59	38.3	175	-60.3	-159.2	-173.1	-178.8	0	113.1	K299 Y301 G326 E328 D365 I366 G445	K299-K363 HydrophobicContact CD-CB 4.44Å; K299-K363 HydrophobicContact CD-CD 3.78Å; K299-K363 HydrophobicContact CD-CG 4.31Å; K299-K363 HydrophobicContact CG-CB 4.14Å; K299-K363 HydrophobicContact CG-CD 4.37Å; K299-K363 HydrophobicContact CG-CG 4.43Å; Y301-K363 HydrophobicContact CE1-CB 3.99Å; Y301-K363 HydrophobicContact CE1-CD 4.33Å; Y301-K363 VanDerWaalsContact OH-CD 3.29Å; Y301-K363 WeakPolarHBondContact OH-CD 3.34Å; G326-K363 PolarHBondContact O-NZ 2.84Å; E328-K363 VanDerWaalsContact CD-NZ 3.34Å; E328-K363 IonicContact OE1-NZ 3.75Å; E328-K363 PolarHBondContact OE1-NZ 3.26Å; E328-K363 IonicContact OE2-NZ 3.88Å; K363-D365 WeakPolarHBondContact CA-OD1 3.42Å; K363-D365 PolarHBondContact O-N 2.71Å; K363-I366 HydrophobicContact CB-CG1 3.73Å; K363-I366 HydrophobicContact CD-CG1 4.25Å; K363-I366 HydrophobicContact CG-CG1 4.46Å; K363-I366 WeakPolarHBondContact O-CB 3.49Å; K363-I366 WeakPolarHBondContact O-CG1 3.36Å; K363-I366 PolarHBondContact O-N 3.01Å; K363-G445 PolarHBondContact N-O 3.43Å
364	L	98.7	Very high	98.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.148	C	C	.	.	G	3₁₀ helix	trans	-63.8	-35.8	176.3	-172.5	66.2	0	0	0	111	A300 L361 T362 I366 L367 W409 L422 A426 Y429 I430 V444 G445 V446	A300-L364 HydrophobicContact CB-CD1 4.19Å; L361-L364 HydrophobicContact CD2-CD1 4.26Å; T362-L364 VanDerWaalsContact C-N 3.3Å; T362-L364 PolarHBondContact O-N 3.01Å; L364-I366 PolarHBondContact O-N 3.08Å; L364-L367 WeakPolarHBondContact O-CB 3.29Å; L364-L367 PolarHBondContact O-N 3.29Å; L364-W409 HydrophobicContact CD1-CH2 3.58Å; L364-W409 HydrophobicContact CD1-CZ2 3.93Å; L364-W409 HydrophobicContact CG-CH2 4.12Å; L364-W409 HydrophobicContact CG-CZ2 3.95Å; L364-L422 HydrophobicContact CD2-CD2 4.46Å; L364-A426 HydrophobicContact CD2-CB 4.3Å; L364-Y429 HydrophobicContact CD1-CD1 3.82Å; L364-Y429 HydrophobicContact CD1-CE1 4.19Å; L364-I430 HydrophobicContact CD2-CD1 3.92Å; L364-I430 HydrophobicContact CD2-CG1 4.33Å; L364-V444 HydrophobicContact CB-CG1 4.18Å; L364-V444 HydrophobicContact CD2-CG1 3.55Å; L364-G445 PolarHBondContact N-O 3.13Å; L364-V446 HydrophobicContact CB-CG1 4.39Å
365	D	98.4	Very high	98.6	Very high	22 Å²	22	24.9 Å²	24.9	12%	0.118	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-56	-21	176.9	58.3	-69.1	0	0	0	114.5	R325 K363 L367 D368 T413 T414 V446 G447	R325-D365 PolarHBondContact NH2-O 3.47Å; R325-D365 VanDerWaalsContact NH2-O 3.09Å; K363-D365 WeakPolarHBondContact CA-OD1 3.42Å; K363-D365 PolarHBondContact O-N 2.71Å; D365-L367 VanDerWaalsContact C-N 3.25Å; D365-L367 PolarHBondContact O-N 3.04Å; D365-D368 WeakPolarHBondContact CA-OD1 3.26Å; D365-D368 WeakPolarHBondContact O-CB 3.27Å; D365-D368 PolarHBondContact O-N 3.23Å; D365-T413 WeakPolarHBondContact CA-OG1 3.33Å; D365-T414 HydrophobicContact CB-CG2 3.86Å; D365-V446 HydrophobicContact CB-CB 4.43Å; D365-V446 WeakPolarHBondContact CB-O 3.38Å; D365-V446 VanDerWaalsContact CG-C 3.48Å; D365-V446 VanDerWaalsContact OD1-C 3.22Å; D365-V446 WeakPolarHBondContact OD1-CA 3.27Å; D365-G447 PolarHBondContact OD1-N 3.21Å
366	I	98.5	Very high	98.6	Very high	10 Å²	10	22.8 Å²	22.8	5%	0.051	13%	0.125	C	C	.	.	G	3₁₀ helix	trans	-69.6	-29.7	177.8	-56.2	-50.7	0	0	0	111	Y301 L322 R325 K363 L364	Y301-I366 HydrophobicContact CD1-CB 4.39Å; Y301-I366 HydrophobicContact CD1-CG2 4.27Å; Y301-I366 HydrophobicContact CE1-CB 3.68Å; Y301-I366 HydrophobicContact CE1-CG1 3.92Å; Y301-I366 HydrophobicContact CE1-CG2 3.6Å; L322-I366 HydrophobicContact CD2-CG2 4.1Å; R325-I366 HydrophobicContact CB-CD1 4.23Å; R325-I366 HydrophobicContact CB-CG2 3.87Å; R325-I366 PolarHBondContact NE-O 3.4Å; R325-I366 VanDerWaalsContact O-CD1 3.3Å; R325-I366 WeakPolarHBondContact O-CD1 3.42Å; K363-I366 HydrophobicContact CB-CG1 3.73Å; K363-I366 HydrophobicContact CD-CG1 4.25Å; K363-I366 HydrophobicContact CG-CG1 4.46Å; K363-I366 WeakPolarHBondContact O-CB 3.49Å; K363-I366 WeakPolarHBondContact O-CG1 3.36Å; K363-I366 PolarHBondContact O-N 3.01Å; L364-I366 PolarHBondContact O-N 3.08Å
367	L	98.8	Very high	98.6	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.005	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-85.3	-6.7	-178.8	-52.8	-175.8	0	0	0	113.3	A300 Y301 L322 L364 D365 V369 L370 I373 W409 Y429	A300-L367 HydrophobicContact CB-CD1 3.8Å; A300-L367 HydrophobicContact CB-CG 4.34Å; Y301-L367 HydrophobicContact CD1-CD2 4.24Å; L322-L367 HydrophobicContact CD2-CD2 3.65Å; L364-L367 WeakPolarHBondContact O-CB 3.29Å; L364-L367 PolarHBondContact O-N 3.29Å; D365-L367 VanDerWaalsContact C-N 3.25Å; D365-L367 PolarHBondContact O-N 3.04Å; L367-V369 PolarHBondContact O-N 3.14Å; L367-L370 HydrophobicContact CB-CD1 4.41Å; L367-L370 HydrophobicContact CD2-CD1 3.93Å; L367-L370 WeakPolarHBondContact O-CB 3.49Å; L367-L370 PolarHBondContact O-N 3.01Å; L367-I373 HydrophobicContact CB-CD1 3.99Å; L367-I373 HydrophobicContact CD1-CD1 4.15Å; L367-I373 HydrophobicContact CD1-CG2 4.29Å; L367-W409 HydrophobicContact CB-CH2 3.66Å; L367-W409 HydrophobicContact CB-CZ2 3.67Å; L367-W409 HydrophobicContact CD1-CH2 4.12Å; L367-W409 HydrophobicContact CG-CH2 4.49Å; L367-Y429 HydrophobicContact CD1-CE1 4.27Å; L367-Y429 HydrophobicContact CD1-CE2 4.36Å
368	D	98.7	Very high	98.6	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.027	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-32.1	-174.9	-75.1	-2.9	0	0	0	115.3	D365 W409 K410 A411 D412 T413	D365-D368 WeakPolarHBondContact CA-OD1 3.26Å; D365-D368 WeakPolarHBondContact O-CB 3.27Å; D365-D368 PolarHBondContact O-N 3.23Å; D368-W409 PolarHBondContact OD1-NE1 2.8Å; D368-K410 CarbonylContact O-C 3.52Å; D368-K410 WeakPolarHBondContact O-CA 3.49Å; D368-K410 PolarHBondContact O-N 3.32Å; D368-A411 WeakPolarHBondContact CB-O 3.48Å; D368-A411 PolarHBondContact O-N 3.5Å; D368-D412 WeakPolarHBondContact OD2-CA 3.34Å; D368-T413 WeakPolarHBondContact OD1-CG2 3.37Å; D368-T413 PolarHBondContact OD1-OG1 3.18Å; D368-T413 PolarHBondContact OD2-N 3.44Å; D368-T413 PolarHBondContact OD2-OG1 3.36Å; D368-T413 VanDerWaalsContact OD2-OG1 3.11Å
369	V	98.4	Very high	98.5	Very high	71 Å²	71	20 Å²	20	43%	0.43	11%	0.108	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-10.3	-173	-61.5	0	0	0	0	113.9	L321 L367	L321-V369 HydrophobicContact CD1-CG2 4.21Å; L321-V369 HydrophobicContact CD2-CG2 3.89Å; L321-V369 HydrophobicContact CG-CG2 4.41Å; L367-V369 PolarHBondContact O-N 3.14Å
370	L	98.3	Very high	98.5	Very high	10 Å²	10	23.3 Å²	23.3	5%	0.052	12%	0.122	C	C	.	.			trans	-79.7	140.9	-173.4	-68.7	172.2	0	0	0	111.1	I318 L321 W341 L367 I373 G408 K410	I318-L370 HydrophobicContact CD1-CD2 3.9Å; L321-L370 HydrophobicContact CD2-CD2 3.56Å; L321-L370 HydrophobicContact CD2-CG 4.28Å; W341-L370 HydrophobicContact CH2-CD1 3.91Å; W341-L370 HydrophobicContact CZ3-CD1 3.77Å; L367-L370 HydrophobicContact CB-CD1 4.41Å; L367-L370 HydrophobicContact CD2-CD1 3.93Å; L367-L370 WeakPolarHBondContact O-CB 3.49Å; L367-L370 PolarHBondContact O-N 3.01Å; L370-I373 HydrophobicContact CB-CG1 4.05Å; L370-I373 HydrophobicContact CD1-CG1 4.05Å; L370-G408 WeakPolarHBondContact O-CA 3.48Å; L370-K410 WeakPolarHBondContact O-CG 3.08Å
371	G	98	Very high	98.4	Very high	34 Å²	34	24.3 Å²	24.3	35%	0.351	13%	0.127	S	C	.	.	S	Bend	trans	-82.8	-29.5	171.1	0	0	0	0	0	113.6	G408	G371-G408 PolarHBondContact O-N 2.89Å
372	E	98.3	Very high	98.2	Very high	127 Å²	127	31 Å²	31	59%	0.593	16%	0.163	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-140.8	145.1	176.3	-67.9	-177.5	177.4	0	0	108.6	T405 L406	E372-T405 HydrophobicContact CB-CG2 3.9Å; E372-T405 HydrophobicContact CG-CG2 4.16Å; E372-L406 WeakPolarHBondContact CA-O 3.47Å
373	I	98.8	Very high	98.1	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	122.9	-180	-59	165	0	0	0	107.3	W341 L367 L370 L406 W409 Y429	W341-I373 HydrophobicContact CE3-CG2 4.22Å; W341-I373 HydrophobicContact CZ3-CG2 3.99Å; L367-I373 HydrophobicContact CB-CD1 3.99Å; L367-I373 HydrophobicContact CD1-CD1 4.15Å; L367-I373 HydrophobicContact CD1-CG2 4.29Å; L370-I373 HydrophobicContact CB-CG1 4.05Å; L370-I373 HydrophobicContact CD1-CG1 4.05Å; I373-L406 PolarHBondContact N-O 3.23Å; I373-L406 PolarHBondContact O-N 2.92Å; I373-W409 HydrophobicContact CD1-CE3 3.97Å; I373-W409 HydrophobicContact CD1-CH2 3.69Å; I373-W409 HydrophobicContact CD1-CZ3 3.31Å; I373-Y429 HydrophobicContact CD1-CD2 4.48Å; I373-Y429 HydrophobicContact CG2-CD2 4.26Å; I373-Y429 HydrophobicContact CG2-CE2 3.67Å
374	K	98.9	Very high	98	Very high	85 Å²	85	39.7 Å²	39.7	37%	0.37	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	144.3	173.8	-65	-176.2	178.1	-179.9	0	110.4	W341 Y403 E404	W341-K374 WeakPolarHBondContact CB-O 3.46Å; W341-K374 HydrophobicContact CD2-CB 3.95Å; W341-K374 HydrophobicContact CG-CB 3.96Å; W341-K374 HydrophobicContact CZ2-CB 4.36Å; K374-Y403 HydrophobicContact CB-CD1 3.78Å; K374-Y403 HydrophobicContact CB-CE1 4.44Å; K374-Y403 HydrophobicContact CB-CG 4.27Å; K374-Y403 HydrophobicContact CD-CG 4.42Å; K374-E404 CarbonylContact C-O 3.52Å; K374-E404 WeakPolarHBondContact CA-O 3.35Å
375	V	98.9	Very high	98	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	125.4	174.7	-175.9	0	0	0	0	108.7	L342 L344 I377 Y403 E404 L406 Y429 F432	L342-V375 HydrophobicContact CB-CG1 4.16Å; L342-V375 HydrophobicContact CD2-CG1 4.17Å; L342-V375 HydrophobicContact CG-CG1 4.19Å; L344-V375 HydrophobicContact CD1-CG1 3.51Å; L344-V375 HydrophobicContact CD2-CG1 4.45Å; L344-V375 HydrophobicContact CG-CG1 3.63Å; V375-I377 PolarHBondContact O-N 2.95Å; V375-Y403 WeakPolarHBondContact O-CA 3.4Å; V375-E404 PolarHBondContact N-O 2.92Å; V375-E404 PolarHBondContact O-N 3.41Å; V375-L406 HydrophobicContact CG2-CD1 4.16Å; V375-Y429 HydrophobicContact CG2-CE2 3.68Å; V375-F432 HydrophobicContact CB-CE1 4.01Å; V375-F432 HydrophobicContact CG1-CE1 3.95Å; V375-F432 HydrophobicContact CG2-CE1 4.37Å
376	G	98.8	Very high	98	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	112.7	176.7	0	0	0	0	0	110.4	L342 L344	L342-G376 PolarHBondContact O-N 3.26Å; L344-G376 WeakPolarHBondContact CB-O 3.41Å; L344-G376 PolarHBondContact N-O 3.22Å
377	I	98.5	Very high	97.8	Very high	18 Å²	18	51.7 Å²	51.7	9%	0.092	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	-27.3	-175.5	57	170.9	0	0	0	112.9	L344 R348 V375 E402 E404 F432	L344-I377 HydrophobicContact CD1-CG2 4.01Å; R348-I377 PolarHBondContact NH1-O 3.34Å; R348-I377 PolarHBondContact NH2-O 2.85Å; V375-I377 PolarHBondContact O-N 2.95Å; I377-E402 HydrophobicContact CD1-CG 4.33Å; I377-E402 HydrophobicContact CG1-CB 4.36Å; I377-E402 HydrophobicContact CG1-CG 4.24Å; I377-E402 WeakPolarHBondContact CG1-O 3.28Å; I377-E402 PolarHBondContact N-O 3.47Å; I377-E404 HydrophobicContact CD1-CB 4.46Å; I377-E404 HydrophobicContact CG2-CB 3.87Å; I377-F432 HydrophobicContact CG2-CE1 4.15Å; I377-F432 HydrophobicContact CG2-CZ 3.83Å
378	S	98.2	Very high	97.8	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	162	-177.3	91	0	0	0	0	112.4	R385 E402	S378-R385 VanDerWaalsContact CB-CZ 3.49Å; S378-R385 PolarHBondContact OG-NE 3.34Å; S378-E402 PolarHBondContact O-N 3.25Å; S378-E402 VanDerWaalsContact OG-CB 3.24Å; S378-E402 WeakPolarHBondContact OG-CB 3.5Å; S378-E402 PolarHBondContact OG-OE1 3.4Å
379	Y	98.6	Very high	97.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	140.8	171.9	-67.5	-18	0	0	0	110.7	P311 D343 M345 R385 I386 F389 L396 V399 V401	P311-Y379 HydrophobicContact CB-CE1 3.74Å; P311-Y379 HydrophobicContact CG-CE1 4.23Å; P311-Y379 HydrophobicContact CG-CE2 4.32Å; P311-Y379 WeakPolarHBondContact CG-OH 3.49Å; D343-Y379 VanDerWaalsContact CG-OH 3.26Å; D343-Y379 PolarHBondContact OD1-OH 3.49Å; D343-Y379 WeakPolarHBondContact OD2-CE1 3.49Å; D343-Y379 VanDerWaalsContact OD2-CZ 3.32Å; D343-Y379 PolarHBondContact OD2-OH 3.35Å; M345-Y379 HydrophobicContact CB-CD1 4.36Å; M345-Y379 HydrophobicContact CB-CD2 4.15Å; M345-Y379 HydrophobicContact CB-CE1 3.99Å; M345-Y379 HydrophobicContact CB-CE2 3.81Å; M345-Y379 HydrophobicContact CB-CG 4.41Å; M345-Y379 HydrophobicContact CE-CD2 3.94Å; M345-Y379 HydrophobicContact CE-CG 4.24Å; M345-Y379 HydrophobicContact CG-CD1 3.86Å; M345-Y379 HydrophobicContact CG-CD2 4.06Å; M345-Y379 HydrophobicContact CG-CE1 3.96Å; M345-Y379 HydrophobicContact CG-CE2 4.19Å; M345-Y379 HydrophobicContact CG-CG 3.88Å; Y379-R385 WeakPolarHBondContact O-CA 3.33Å; Y379-I386 PolarHBondContact O-N 3.11Å; Y379-F389 AromaticContact CE2-CD2 3.89Å; Y379-F389 HydrophobicContact CE2-CD2 3.89Å; Y379-F389 HydrophobicContact CE2-CE2 4.08Å; Y379-L396 HydrophobicContact CE2-CD1 4.02Å; Y379-V399 HydrophobicContact CD1-CB 4.45Å; Y379-V399 HydrophobicContact CD1-CG2 4.04Å; Y379-V399 HydrophobicContact CD2-CB 4.27Å; Y379-V399 HydrophobicContact CD2-CG1 4.08Å; Y379-V399 HydrophobicContact CD2-CG2 4.12Å; Y379-V399 HydrophobicContact CE1-CG2 4.28Å; Y379-V399 HydrophobicContact CE2-CG2 4.31Å; Y379-V399 HydrophobicContact CG-CB 4.02Å; Y379-V399 HydrophobicContact CG-CG1 4.26Å; Y379-V399 HydrophobicContact CG-CG2 3.99Å; Y379-V401 HydrophobicContact CD1-CG2 4.05Å; Y379-V401 HydrophobicContact CE1-CG2 3.89Å
380	K	98.3	Very high	97.7	Very high	68 Å²	68	54.3 Å²	54.3	30%	0.296	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.4	165.4	-67.2	175	-175.1	163.5	0	109.4	K384 V399 E400 E402	K380-K384 CarbonylContact C-O 3.53Å; K380-K384 VanDerWaalsContact CA-O 3.26Å; K380-K384 WeakPolarHBondContact CA-O 3.33Å; K380-V399 CarbonylContact O-C 3.58Å; K380-V399 WeakPolarHBondContact O-CA 3.39Å; K380-E400 HydrophobicContact CB-CB 4.25Å; K380-E400 PolarHBondContact N-O 3.38Å; K380-E400 PolarHBondContact O-N 2.94Å; K380-E402 WeakPolarHBondContact CE-OE2 3.4Å; K380-E402 IonicContact NZ-OE2 2.74Å; K380-E402 PolarHBondContact NZ-OE2 3.2Å
381	L	97.2	Very high	97.7	Very high	21 Å²	21	58 Å²	58	11%	0.11	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	120.6	172.2	-172.4	68	0	0	0	107.8	G383 K384 I386 M395 K398 V399	L381-G383 VanDerWaalsContact C-N 3.28Å; L381-G383 PolarHBondContact O-N 2.87Å; L381-K384 PolarHBondContact N-O 2.98Å; L381-K384 PolarHBondContact O-N 2.86Å; L381-K384 VanDerWaalsContact O-N 3.12Å; L381-I386 HydrophobicContact CB-CD1 4.46Å; L381-I386 HydrophobicContact CB-CG2 4.15Å; L381-M395 HydrophobicContact CD2-CB 4.25Å; L381-M395 HydrophobicContact CD2-CE 3.47Å; L381-M395 VanDerWaalsContact CD2-CE 3.47Å; L381-M395 HydrophobicContact CD2-CG 4.31Å; L381-K398 HydrophobicContact CD1-CB 3.84Å; L381-V399 HydrophobicContact CD1-CG1 4.45Å
382	N	94.4	Very high	97.5	Very high	141 Å²	141	59.2 Å²	59.2	75%	0.754	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	46.6	-173.9	-52.7	-38.3	0	0	0	112.1	K384	N382-K384 PolarHBondContact O-N 3.23Å
383	G	94.9	Very high	97.3	Very high	58 Å²	58	54.1 Å²	54.1	60%	0.598	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.5	-5.1	-179.5	0	0	0	0	0	116.1	L381	L381-G383 VanDerWaalsContact C-N 3.28Å; L381-G383 PolarHBondContact O-N 2.87Å
384	K	97.1	Very high	97	Very high	161 Å²	161	59.7 Å²	59.7	70%	0.7	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.4	-179.6	-64.4	-176.4	-178	-180	0	111.6	K380 L381 N382 I386	K380-K384 CarbonylContact C-O 3.53Å; K380-K384 VanDerWaalsContact CA-O 3.26Å; K380-K384 WeakPolarHBondContact CA-O 3.33Å; L381-K384 PolarHBondContact N-O 2.98Å; L381-K384 PolarHBondContact O-N 2.86Å; L381-K384 VanDerWaalsContact O-N 3.12Å; N382-K384 PolarHBondContact O-N 3.23Å; K384-I386 PolarHBondContact O-N 3.07Å
385	R	97.8	Very high	96.9	Very high	154 Å²	154	58.6 Å²	58.6	58%	0.581	31%	0.308	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.4	130.6	173.8	-171.3	173.6	177.6	162.5	1.4	110	S378 Y379 E402	S378-R385 VanDerWaalsContact CB-CZ 3.49Å; S378-R385 PolarHBondContact OG-NE 3.34Å; Y379-R385 WeakPolarHBondContact O-CA 3.33Å; R385-E402 IonicContact CZ-OE1 3.78Å; R385-E402 IonicContact NH1-OE1 3.42Å; R385-E402 PolarHBondContact NH1-OE1 3.46Å
386	I	97.9	Very high	96.8	Very high	14 Å²	14	58.7 Å²	58.7	7%	0.072	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	139.7	178.3	58.8	173.2	0	0	0	111	Y379 L381 K384 Y388 P390 V399	Y379-I386 PolarHBondContact O-N 3.11Å; L381-I386 HydrophobicContact CB-CD1 4.46Å; L381-I386 HydrophobicContact CB-CG2 4.15Å; K384-I386 PolarHBondContact O-N 3.07Å; I386-Y388 HydrophobicContact CB-CD1 4.46Å; I386-Y388 HydrophobicContact CB-CE1 4.15Å; I386-Y388 HydrophobicContact CD1-CD2 4.48Å; I386-Y388 HydrophobicContact CD1-CE2 4.2Å; I386-Y388 HydrophobicContact CG2-CE1 4.34Å; I386-P390 HydrophobicContact CD1-CG 3.69Å; I386-V399 HydrophobicContact CD1-CG1 4.5Å
387	P	96	Very high	96.7	Very high	116 Å²	116	64.9 Å²	64.9	75%	0.753	34%	0.338	S	S	*	.	S	Bend	trans	-89.6	1.2	-179.8	35.5	-35.7	0	0	0	113.8
388	Y	97.6	Very high	96.7	Very high	114 Å²	114	70.8 Å²	70.8	45%	0.447	36%	0.363	S	S	.	.	S	Bend	trans	-124.8	157.9	-174.6	56.5	-96	0	0	0	111.8	M345 I386 M395	M345-Y388 WeakPolarHBondContact CE-O 3.43Å; I386-Y388 HydrophobicContact CB-CD1 4.46Å; I386-Y388 HydrophobicContact CB-CE1 4.15Å; I386-Y388 HydrophobicContact CD1-CD2 4.48Å; I386-Y388 HydrophobicContact CD1-CE2 4.2Å; I386-Y388 HydrophobicContact CG2-CE1 4.34Å; Y388-M395 HydrophobicContact CE2-CE 4.42Å
389	F	98.2	Very high	96.7	Very high	16 Å²	16	71.6 Å²	71.6	7%	0.07	37%	0.368	C	S	.	.			trans	-80.9	123.8	169.8	-175.2	-110.4	0	0	0	109.6	W41 L259 T266 I346 Y349 Y379 A391 L396	W41-F389 HydrophobicContact CZ2-CZ 4.47Å; L259-F389 HydrophobicContact CD2-CE1 4.19Å; L259-F389 HydrophobicContact CD2-CZ 4.36Å; T266-F389 HydrophobicContact CG2-CE1 4.01Å; T266-F389 HydrophobicContact CG2-CZ 3.79Å; I346-F389 HydrophobicContact CG2-CD2 4Å; I346-F389 HydrophobicContact CG2-CE2 3.53Å; I346-F389 HydrophobicContact CG2-CZ 4.23Å; Y349-F389 HydrophobicContact CD1-CB 4.26Å; Y349-F389 AromaticContact CD1-CD1 3.95Å; Y349-F389 HydrophobicContact CD1-CD1 3.95Å; Y349-F389 HydrophobicContact CD1-CG 4.21Å; Y349-F389 HydrophobicContact CD2-CB 3.75Å; Y349-F389 AromaticContact CE1-CD1 3.96Å; Y349-F389 HydrophobicContact CE1-CD1 3.96Å; Y349-F389 HydrophobicContact CE2-CB 4.33Å; Y349-F389 HydrophobicContact CG-CB 3.7Å; Y349-F389 HydrophobicContact CG-CD1 4.24Å; Y349-F389 HydrophobicContact CG-CG 4.13Å; Y379-F389 AromaticContact CE2-CD2 3.89Å; Y379-F389 HydrophobicContact CE2-CD2 3.89Å; Y379-F389 HydrophobicContact CE2-CE2 4.08Å; F389-A391 PolarHBondContact O-N 3.41Å; F389-L396 HydrophobicContact CD2-CD1 4.28Å; F389-L396 HydrophobicContact CE1-CD2 4.36Å; F389-L396 HydrophobicContact CE2-CD1 3.55Å; F389-L396 HydrophobicContact CE2-CD2 4.12Å; F389-L396 HydrophobicContact CZ-CD1 3.9Å; F389-L396 HydrophobicContact CZ-CD2 3.59Å; F389-L396 HydrophobicContact CZ-CG 4.43Å
390	P	98.1	Very high	96.7	Very high	2 Å²	2	77.5 Å²	77.5	1%	0.013	40%	0.395	C	S	.	.			trans	-62.1	131.8	179.6	-23.5	32.6	0	0	0	113	I386 M395 L396 V399	I386-P390 HydrophobicContact CD1-CG 3.69Å; P390-M395 HydrophobicContact CB-CB 3.97Å; P390-L396 HydrophobicContact CB-CB 4.18Å; P390-L396 HydrophobicContact CB-CD1 4.43Å; P390-L396 HydrophobicContact CG-CD1 4.19Å; P390-V399 HydrophobicContact CG-CG1 3.9Å
391	A	97.2	Very high	96.7	Very high	87 Å²	87	75.6 Å²	75.6	72%	0.719	39%	0.389	S	S	*	.	S	Bend	trans	-78.5	-35.7	-178.4	0	0	0	0	0	113.6	F389	F389-A391 PolarHBondContact O-N 3.41Å
392	N	94.4	Very high	96.8	Very high	60 Å²	60	77 Å²	77	32%	0.321	40%	0.395	S	S	.	.	S	Bend	trans	-95.3	152.3	179.9	75.6	-26.7	0	0	0	112.6	E394 M395 L396	N392-E394 VanDerWaalsContact C-N 3.32Å; N392-E394 PolarHBondContact ND2-OE2 3.1Å; N392-E394 VanDerWaalsContact ND2-OE2 3.11Å; N392-E394 PolarHBondContact O-N 2.77Å; N392-M395 WeakPolarHBondContact OD1-CB 3.3Å; N392-M395 WeakPolarHBondContact OD1-CG 3.49Å; N392-M395 PolarHBondContact OD1-N 2.94Å; N392-M395 PolarHBondContact OD1-SD 3.47Å; N392-L396 WeakPolarHBondContact O-CB 3.47Å; N392-L396 PolarHBondContact O-N 3.05Å; N392-L396 VanDerWaalsContact O-N 3.12Å
393	Q	93.1	Very high	97	Very high	20 Å²	20	73.6 Å²	73.6	9%	0.093	37%	0.373	C	S	.	.	H	α-helix	trans	-65.3	-35.5	-177.6	-69.2	-59.5	-65.3	0	0	112.5	T266 Y267 F269 M395 L396 Q397	T266-Q393 PolarHBondContact O-NE2 2.86Å; Y267-Q393 WeakPolarHBondContact O-CG 3.22Å; Y267-Q393 PolarHBondContact O-NE2 3.34Å; F269-Q393 HydrophobicContact CD2-CG 4.06Å; F269-Q393 HydrophobicContact CE2-CG 3.8Å; Q393-M395 PolarHBondContact O-N 3.41Å; Q393-L396 PolarHBondContact O-N 3.17Å; Q393-Q397 VanDerWaalsContact O-CB 3.25Å; Q393-Q397 WeakPolarHBondContact O-CB 3.41Å; Q393-Q397 PolarHBondContact O-N 2.71Å
394	E	93.8	Very high	97.2	Very high	118 Å²	118	75 Å²	75	55%	0.551	36%	0.363	S	S	*	.	H	α-helix	trans	-67.9	-36.3	-175.3	-61.2	69.8	-149.7	0	0	111.9	N392 K398	N392-E394 VanDerWaalsContact C-N 3.32Å; N392-E394 PolarHBondContact ND2-OE2 3.1Å; N392-E394 VanDerWaalsContact ND2-OE2 3.11Å; N392-E394 PolarHBondContact O-N 2.77Å; E394-K398 WeakPolarHBondContact O-CD 3.29Å; E394-K398 VanDerWaalsContact O-CG 3.27Å; E394-K398 WeakPolarHBondContact O-CG 3.37Å
395	M	96.4	Very high	97.2	Very high	62 Å²	62	70.5 Å²	70.5	31%	0.305	35%	0.349	S	S	.	.	H	α-helix	trans	-76.5	-43.5	173.2	-65.8	169.7	60.8	0	0	110.6	L381 Y388 P390 N392 Q393 Q397 K398 V399	L381-M395 HydrophobicContact CD2-CB 4.25Å; L381-M395 HydrophobicContact CD2-CE 3.47Å; L381-M395 VanDerWaalsContact CD2-CE 3.47Å; L381-M395 HydrophobicContact CD2-CG 4.31Å; Y388-M395 HydrophobicContact CE2-CE 4.42Å; P390-M395 HydrophobicContact CB-CB 3.97Å; N392-M395 WeakPolarHBondContact OD1-CB 3.3Å; N392-M395 WeakPolarHBondContact OD1-CG 3.49Å; N392-M395 PolarHBondContact OD1-N 2.94Å; N392-M395 PolarHBondContact OD1-SD 3.47Å; Q393-M395 PolarHBondContact O-N 3.41Å; M395-Q397 PolarHBondContact O-N 3.39Å; M395-K398 PolarHBondContact O-N 2.9Å; M395-V399 WeakPolarHBondContact O-CG1 3.41Å; M395-V399 PolarHBondContact O-N 3.13Å
396	L	97.4	Very high	97.3	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.01	33%	0.328	C	S	.	.	H	α-helix	trans	-60.3	-34.7	-179.6	-172	59.6	0	0	0	112.1	T266 A309 P311 Y379 F389 P390 N392 Q393 K398 V399	T266-L396 HydrophobicContact CG2-CD2 3.59Å; A309-L396 HydrophobicContact CB-CB 3.96Å; A309-L396 HydrophobicContact CB-CD2 3.83Å; A309-L396 HydrophobicContact CB-CG 3.64Å; P311-L396 HydrophobicContact CG-CD1 3.73Å; P311-L396 HydrophobicContact CG-CG 4.21Å; Y379-L396 HydrophobicContact CE2-CD1 4.02Å; F389-L396 HydrophobicContact CD2-CD1 4.28Å; F389-L396 HydrophobicContact CE1-CD2 4.36Å; F389-L396 HydrophobicContact CE2-CD1 3.55Å; F389-L396 HydrophobicContact CE2-CD2 4.12Å; F389-L396 HydrophobicContact CZ-CD1 3.9Å; F389-L396 HydrophobicContact CZ-CD2 3.59Å; F389-L396 HydrophobicContact CZ-CG 4.43Å; P390-L396 HydrophobicContact CB-CB 4.18Å; P390-L396 HydrophobicContact CB-CD1 4.43Å; P390-L396 HydrophobicContact CG-CD1 4.19Å; N392-L396 WeakPolarHBondContact O-CB 3.47Å; N392-L396 PolarHBondContact O-N 3.05Å; N392-L396 VanDerWaalsContact O-N 3.12Å; Q393-L396 PolarHBondContact O-N 3.17Å; L396-K398 VanDerWaalsContact C-N 3.27Å; L396-K398 PolarHBondContact O-N 3.34Å; L396-V399 VanDerWaalsContact O-CG2 3.29Å; L396-V399 WeakPolarHBondContact O-CG2 3.18Å
397	Q	96.4	Very high	97.3	Very high	130 Å²	130	67.5 Å²	67.5	61%	0.607	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-21.7	176.9	-168.4	62.4	48.2	0	0	113.4	A309 Q393 M395	A309-Q397 VanDerWaalsContact CA-OE1 3.29Å; A309-Q397 HydrophobicContact CB-CB 4.27Å; Q393-Q397 VanDerWaalsContact O-CB 3.25Å; Q393-Q397 WeakPolarHBondContact O-CB 3.41Å; Q393-Q397 PolarHBondContact O-N 2.71Å; M395-Q397 PolarHBondContact O-N 3.39Å
398	K	97.6	Very high	97.4	Very high	142 Å²	142	62.5 Å²	62.5	62%	0.617	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.7	-1.4	-177.7	-69.2	175.3	-174.6	-179.8	0	113.3	L381 E394 M395 L396	L381-K398 HydrophobicContact CD1-CB 3.84Å; E394-K398 WeakPolarHBondContact O-CD 3.29Å; E394-K398 VanDerWaalsContact O-CG 3.27Å; E394-K398 WeakPolarHBondContact O-CG 3.37Å; M395-K398 PolarHBondContact O-N 2.9Å; L396-K398 VanDerWaalsContact C-N 3.27Å; L396-K398 PolarHBondContact O-N 3.34Å
399	V	98.2	Very high	97.5	Very high	17 Å²	17	57.9 Å²	57.9	10%	0.103	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-69.6	137.1	179.5	-55	0	0	0	0	110.3	P311 Y379 K380 L381 I386 P390 M395 L396	P311-V399 HydrophobicContact CB-CG2 3.75Å; P311-V399 HydrophobicContact CG-CG2 3.77Å; Y379-V399 HydrophobicContact CD1-CB 4.45Å; Y379-V399 HydrophobicContact CD1-CG2 4.04Å; Y379-V399 HydrophobicContact CD2-CB 4.27Å; Y379-V399 HydrophobicContact CD2-CG1 4.08Å; Y379-V399 HydrophobicContact CD2-CG2 4.12Å; Y379-V399 HydrophobicContact CE1-CG2 4.28Å; Y379-V399 HydrophobicContact CE2-CG2 4.31Å; Y379-V399 HydrophobicContact CG-CB 4.02Å; Y379-V399 HydrophobicContact CG-CG1 4.26Å; Y379-V399 HydrophobicContact CG-CG2 3.99Å; K380-V399 CarbonylContact O-C 3.58Å; K380-V399 WeakPolarHBondContact O-CA 3.39Å; L381-V399 HydrophobicContact CD1-CG1 4.45Å; I386-V399 HydrophobicContact CD1-CG1 4.5Å; P390-V399 HydrophobicContact CG-CG1 3.9Å; M395-V399 WeakPolarHBondContact O-CG1 3.41Å; M395-V399 PolarHBondContact O-N 3.13Å; L396-V399 VanDerWaalsContact O-CG2 3.29Å; L396-V399 WeakPolarHBondContact O-CG2 3.18Å
400	E	98.4	Very high	97.5	Very high	124 Å²	124	64.7 Å²	64.7	58%	0.579	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.4	166.1	-66.7	170.6	-173.6	0	0	107.7	K380	K380-E400 HydrophobicContact CB-CB 4.25Å; K380-E400 PolarHBondContact N-O 3.38Å; K380-E400 PolarHBondContact O-N 2.94Å
401	V	98.7	Very high	97.5	Very high	28 Å²	28	66.6 Å²	66.6	17%	0.17	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	129.1	179.5	-175.7	0	0	0	0	109.9	P311 T312 Y379 Y403	P311-V401 HydrophobicContact CB-CG2 3.54Å; P311-V401 VanDerWaalsContact O-CG2 3.3Å; P311-V401 WeakPolarHBondContact O-CG2 3.5Å; T312-V401 HydrophobicContact CG2-CG1 4.07Å; T312-V401 HydrophobicContact CG2-CG2 4.32Å; Y379-V401 HydrophobicContact CD1-CG2 4.05Å; Y379-V401 HydrophobicContact CE1-CG2 3.89Å; V401-Y403 HydrophobicContact CB-CD2 4.25Å; V401-Y403 HydrophobicContact CB-CE1 4.5Å; V401-Y403 HydrophobicContact CB-CE2 3.62Å; V401-Y403 HydrophobicContact CG1-CD1 4.13Å; V401-Y403 HydrophobicContact CG1-CD2 4.03Å; V401-Y403 HydrophobicContact CG1-CE1 3.78Å; V401-Y403 HydrophobicContact CG1-CE2 3.68Å; V401-Y403 HydrophobicContact CG1-CG 4.25Å
402	E	98.5	Very high	97.5	Very high	50 Å²	50	68.2 Å²	68.2	23%	0.234	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	123.8	165.6	-169.5	170	74.7	0	0	108.8	I377 S378 K380 R385	I377-E402 HydrophobicContact CD1-CG 4.33Å; I377-E402 HydrophobicContact CG1-CB 4.36Å; I377-E402 HydrophobicContact CG1-CG 4.24Å; I377-E402 WeakPolarHBondContact CG1-O 3.28Å; I377-E402 PolarHBondContact N-O 3.47Å; S378-E402 PolarHBondContact O-N 3.25Å; S378-E402 VanDerWaalsContact OG-CB 3.24Å; S378-E402 WeakPolarHBondContact OG-CB 3.5Å; S378-E402 PolarHBondContact OG-OE1 3.4Å; K380-E402 WeakPolarHBondContact CE-OE2 3.4Å; K380-E402 IonicContact NZ-OE2 2.74Å; K380-E402 PolarHBondContact NZ-OE2 3.2Å; R385-E402 IonicContact CZ-OE1 3.78Å; R385-E402 IonicContact NH1-OE1 3.42Å; R385-E402 PolarHBondContact NH1-OE1 3.46Å
403	Y	98.8	Very high	97.7	Very high	71 Å²	71	65.5 Å²	65.5	28%	0.278	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	141.6	-177.2	-69.1	-82.6	0	0	0	111.5	T312 W341 K374 V375 V401	T312-Y403 WeakPolarHBondContact CA-OH 3.4Å; T312-Y403 HydrophobicContact CG2-CE1 3.93Å; W341-Y403 HydrophobicContact CB-CE1 4.06Å; W341-Y403 AromaticContact CD1-CE1 3.77Å; W341-Y403 HydrophobicContact CG-CE1 4.22Å; K374-Y403 HydrophobicContact CB-CD1 3.78Å; K374-Y403 HydrophobicContact CB-CE1 4.44Å; K374-Y403 HydrophobicContact CB-CG 4.27Å; K374-Y403 HydrophobicContact CD-CG 4.42Å; V375-Y403 WeakPolarHBondContact O-CA 3.4Å; V401-Y403 HydrophobicContact CB-CD2 4.25Å; V401-Y403 HydrophobicContact CB-CE1 4.5Å; V401-Y403 HydrophobicContact CB-CE2 3.62Å; V401-Y403 HydrophobicContact CG1-CD1 4.13Å; V401-Y403 HydrophobicContact CG1-CD2 4.03Å; V401-Y403 HydrophobicContact CG1-CE1 3.78Å; V401-Y403 HydrophobicContact CG1-CE2 3.68Å; V401-Y403 HydrophobicContact CG1-CG 4.25Å
404	E	98.8	Very high	97.9	Very high	87 Å²	87	67.2 Å²	67.2	41%	0.407	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	134.1	157.6	-166	86.1	168.1	0	0	108.5	K374 V375 I377 L406 F432	K374-E404 CarbonylContact C-O 3.52Å; K374-E404 WeakPolarHBondContact CA-O 3.35Å; V375-E404 PolarHBondContact N-O 2.92Å; V375-E404 PolarHBondContact O-N 3.41Å; I377-E404 HydrophobicContact CD1-CB 4.46Å; I377-E404 HydrophobicContact CG2-CB 3.87Å; E404-L406 HydrophobicContact CG-CD2 4.14Å; E404-F432 HydrophobicContact CB-CE2 4.29Å; E404-F432 HydrophobicContact CB-CZ 3.66Å; E404-F432 HydrophobicContact CG-CE2 3.79Å; E404-F432 HydrophobicContact CG-CZ 3.7Å
405	T	98.8	Very high	98.1	Very high	66 Å²	66	64.3 Å²	64.3	41%	0.405	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	122.2	173.2	-57.6	0	0	0	0	109.5	E372	E372-T405 HydrophobicContact CB-CG2 3.9Å; E372-T405 HydrophobicContact CG-CG2 4.16Å
406	L	98.7	Very high	98.2	Very high	26 Å²	26	61.6 Å²	61.6	14%	0.136	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	146.2	176.3	-57.7	176.7	0	0	0	110	E372 I373 V375 E404 G408 Y429 F432	E372-L406 WeakPolarHBondContact CA-O 3.47Å; I373-L406 PolarHBondContact N-O 3.23Å; I373-L406 PolarHBondContact O-N 2.92Å; V375-L406 HydrophobicContact CG2-CD1 4.16Å; E404-L406 HydrophobicContact CG-CD2 4.14Å; L406-G408 PolarHBondContact O-N 2.86Å; L406-Y429 HydrophobicContact CD1-CD2 3.78Å; L406-Y429 HydrophobicContact CD1-CE2 4.33Å; L406-F432 HydrophobicContact CD1-CB 4.1Å; L406-F432 HydrophobicContact CD1-CD1 3.86Å; L406-F432 HydrophobicContact CD1-CD2 4.14Å; L406-F432 HydrophobicContact CD1-CE1 4.29Å; L406-F432 HydrophobicContact CD1-CG 3.78Å; L406-F432 HydrophobicContact CD2-CD2 3.96Å; L406-F432 HydrophobicContact CD2-CE2 4.04Å; L406-F432 HydrophobicContact CD2-CG 4.44Å
407	P	98.7	Very high	98.2	Very high	79 Å²	79	65.9 Å²	65.9	51%	0.513	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	132.5	173.1	28.5	-33.9	0	0	0	110.1	Q425	P407-Q425 HydrophobicContact CB-CG 4.38Å; P407-Q425 HydrophobicContact CG-CG 4.19Å
408	G	98.4	Very high	98.3	Very high	11 Å²	11	66.8 Å²	66.8	11%	0.113	34%	0.343	C	S	.	.			trans	-75.5	164.2	169.2	0	0	0	0	0	111.7	L370 G371 L406	L370-G408 WeakPolarHBondContact O-CA 3.48Å; G371-G408 PolarHBondContact O-N 2.89Å; L406-G408 PolarHBondContact O-N 2.86Å
409	W	98.6	Very high	98.3	Very high	18 Å²	18	62.2 Å²	62.2	7%	0.068	32%	0.322	C	S	.	.			trans	-96.8	-18.8	-176.5	43.7	100	0	0	0	114.9	L364 L367 D368 I373 A411 P423 Q425 A426 Y429	L364-W409 HydrophobicContact CD1-CH2 3.58Å; L364-W409 HydrophobicContact CD1-CZ2 3.93Å; L364-W409 HydrophobicContact CG-CH2 4.12Å; L364-W409 HydrophobicContact CG-CZ2 3.95Å; L367-W409 HydrophobicContact CB-CH2 3.66Å; L367-W409 HydrophobicContact CB-CZ2 3.67Å; L367-W409 HydrophobicContact CD1-CH2 4.12Å; L367-W409 HydrophobicContact CG-CH2 4.49Å; D368-W409 PolarHBondContact OD1-NE1 2.8Å; I373-W409 HydrophobicContact CD1-CE3 3.97Å; I373-W409 HydrophobicContact CD1-CH2 3.69Å; I373-W409 HydrophobicContact CD1-CZ3 3.31Å; W409-A411 PolarHBondContact O-N 2.71Å; W409-A411 VanDerWaalsContact O-N 3.13Å; W409-P423 HydrophobicContact CB-CB 3.97Å; W409-P423 HydrophobicContact CB-CG 3.6Å; W409-P423 HydrophobicContact CG-CG 3.68Å; W409-Q425 HydrophobicContact CB-CB 4.06Å; W409-Q425 HydrophobicContact CE3-CB 4.33Å; W409-A426 HydrophobicContact CD2-CB 3.77Å; W409-A426 HydrophobicContact CE3-CB 3.83Å; W409-A426 HydrophobicContact CG-CB 4.27Å; W409-A426 HydrophobicContact CH2-CB 4.34Å; W409-A426 HydrophobicContact CZ2-CB 4.28Å; W409-A426 HydrophobicContact CZ3-CB 4.11Å; W409-Y429 HydrophobicContact CZ3-CG 4.29Å
410	K	98	Very high	98.3	Very high	158 Å²	158	67.6 Å²	67.6	69%	0.687	35%	0.346	S	S	*	.			trans	48	39.9	180	-62.6	-168.3	-175.3	-175	0	113.7	D368 L370	D368-K410 CarbonylContact O-C 3.52Å; D368-K410 WeakPolarHBondContact O-CA 3.49Å; D368-K410 PolarHBondContact O-N 3.32Å; L370-K410 WeakPolarHBondContact O-CG 3.08Å
411	A	98.1	Very high	98.3	Very high	42 Å²	42	64.8 Å²	64.8	35%	0.347	34%	0.335	S	S	.	.	S	Bend	trans	-142.9	143.8	-176.2	0	0	0	0	0	110.2	D368 W409 T413	D368-A411 WeakPolarHBondContact CB-O 3.48Å; D368-A411 PolarHBondContact O-N 3.5Å; W409-A411 PolarHBondContact O-N 2.71Å; W409-A411 VanDerWaalsContact O-N 3.13Å; A411-T413 PolarHBondContact O-N 3.22Å
412	D	98.4	Very high	98.3	Very high	121 Å²	121	63.7 Å²	63.7	65%	0.647	33%	0.328	S	S	*	.			trans	-72.4	123.5	177	-177.6	3.1	0	0	0	110.5	D368 T414	D368-D412 WeakPolarHBondContact OD2-CA 3.34Å; D412-T414 VanDerWaalsContact OD1-CB 3.28Å; D412-T414 WeakPolarHBondContact OD1-CB 3.36Å; D412-T414 VanDerWaalsContact OD1-CG2 3.22Å; D412-T414 WeakPolarHBondContact OD1-CG2 3.35Å; D412-T414 PolarHBondContact OD1-N 3.29Å; D412-T414 PolarHBondContact OD1-OG1 3.36Å; D412-T414 PolarHBondContact OD2-OG1 2.77Å
413	T	98.5	Very high	98.3	Very high	3 Å²	3	62.5 Å²	62.5	2%	0.018	33%	0.325	C	S	.	.			trans	-103.6	-2.4	178.6	60.2	0	0	0	0	113.3	D365 D368 A411 G415 A416 L422 P423 V446	D365-T413 WeakPolarHBondContact CA-OG1 3.33Å; D368-T413 WeakPolarHBondContact OD1-CG2 3.37Å; D368-T413 PolarHBondContact OD1-OG1 3.18Å; D368-T413 PolarHBondContact OD2-N 3.44Å; D368-T413 PolarHBondContact OD2-OG1 3.36Å; D368-T413 VanDerWaalsContact OD2-OG1 3.11Å; A411-T413 PolarHBondContact O-N 3.22Å; T413-G415 PolarHBondContact O-N 2.99Å; T413-G415 VanDerWaalsContact O-N 3.12Å; T413-A416 VanDerWaalsContact O-CB 3.25Å; T413-A416 WeakPolarHBondContact O-CB 3.48Å; T413-A416 PolarHBondContact O-N 3.44Å; T413-L422 HydrophobicContact CG2-CD2 4.25Å; T413-P423 HydrophobicContact CG2-CG 4.05Å; T413-V446 WeakPolarHBondContact O-CB 3.49Å; T413-V446 WeakPolarHBondContact O-CG2 3.45Å
414	T	97.8	Very high	98.3	Very high	56 Å²	56	63.1 Å²	63.1	34%	0.344	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25	-172.1	62.1	0	0	0	0	114.4	D365 D412 R417 V446	D365-T414 HydrophobicContact CB-CG2 3.86Å; D412-T414 VanDerWaalsContact OD1-CB 3.28Å; D412-T414 WeakPolarHBondContact OD1-CB 3.36Å; D412-T414 VanDerWaalsContact OD1-CG2 3.22Å; D412-T414 WeakPolarHBondContact OD1-CG2 3.35Å; D412-T414 PolarHBondContact OD1-N 3.29Å; D412-T414 PolarHBondContact OD1-OG1 3.36Å; D412-T414 PolarHBondContact OD2-OG1 2.77Å; T414-R417 PolarHBondContact O-NH1 3.06Å; T414-V446 VanDerWaalsContact CA-O 3.28Å; T414-V446 WeakPolarHBondContact CA-O 3.31Å
415	G	97.5	Very high	98.3	Very high	57 Å²	57	62.4 Å²	62.4	59%	0.588	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-11.1	174.8	0	0	0	0	0	115.2	T413 R417	T413-G415 PolarHBondContact O-N 2.99Å; T413-G415 VanDerWaalsContact O-N 3.12Å; G415-R417 VanDerWaalsContact C-NH1 3.34Å; G415-R417 PolarHBondContact O-NH1 3.3Å
416	A	98	Very high	98.3	Very high	6 Å²	6	59.3 Å²	59.3	5%	0.05	32%	0.315	C	S	.	.			trans	-66.2	137.4	-176.4	0	0	0	0	0	111.5	T413 D421 L422 I454	T413-A416 VanDerWaalsContact O-CB 3.25Å; T413-A416 WeakPolarHBondContact O-CB 3.48Å; T413-A416 PolarHBondContact O-N 3.44Å; A416-D421 HydrophobicContact CB-CB 3.8Å; A416-L422 HydrophobicContact CB-CD2 3.82Å; A416-L422 HydrophobicContact CB-CG 4.44Å; A416-I454 HydrophobicContact CB-CD1 3.71Å
417	R	97.4	Very high	98.3	Very high	91 Å²	91	59.7 Å²	59.7	34%	0.343	32%	0.317	S	S	.	.			trans	-128.7	-10.2	178.4	-63.9	-63.6	179.3	-87.4	2	113	T414 G415 D421 E451	T414-R417 PolarHBondContact O-NH1 3.06Å; G415-R417 VanDerWaalsContact C-NH1 3.34Å; G415-R417 PolarHBondContact O-NH1 3.3Å; R417-D421 PolarHBondContact N-OD2 3.37Å; R417-E451 WeakPolarHBondContact CD-O 3.33Å; R417-E451 IonicContact CZ-OE1 3.67Å; R417-E451 PolarHBondContact NE-O 3.43Å; R417-E451 IonicContact NH2-OE1 2.95Å; R417-E451 PolarHBondContact NH2-OE1 2.93Å
418	R	97.6	Very high	98.3	Very high	149 Å²	149	60.5 Å²	60.5	56%	0.562	32%	0.316	S	S	*	.	S	Bend	trans	-135.8	161.7	176.7	-56.9	172.7	-62.5	171.6	9.6	110.2	E420 D421	R418-E420 WeakPolarHBondContact CB-OE2 3.29Å; R418-E420 PolarHBondContact O-N 3.29Å; R418-D421 IonicContact CZ-OD1 2.76Å; R418-D421 PolarHBondContact N-OD2 3.41Å; R418-D421 IonicContact NE-OD1 3.69Å; R418-D421 PolarHBondContact NE-OD1 2.87Å; R418-D421 IonicContact NE-OD2 3.61Å; R418-D421 IonicContact NH2-OD1 3.41Å; R418-D421 PolarHBondContact NH2-OD1 3.45Å; R418-D421 WeakPolarHBondContact O-CB 3.41Å; R418-D421 PolarHBondContact O-N 3.05Å; R418-D421 VanDerWaalsContact O-N 3.12Å
419	W	98.1	Very high	98.3	Very high	47 Å²	47	60.1 Å²	60.1	18%	0.178	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-53.6	-42.5	177.5	171.4	-103.3	0	0	0	112.4	D421 L422 Q427 I430 R431 L456	W419-D421 PolarHBondContact O-N 3.09Å; W419-L422 HydrophobicContact CE3-CD1 4.13Å; W419-L422 HydrophobicContact CZ3-CD1 4.47Å; W419-L422 WeakPolarHBondContact O-CB 3.49Å; W419-L422 PolarHBondContact O-N 2.96Å; W419-L422 VanDerWaalsContact O-N 3.12Å; W419-Q427 HydrophobicContact CD2-CG 4.18Å; W419-Q427 VanDerWaalsContact CE2-CD 3.49Å; W419-Q427 HydrophobicContact CE3-CG 4.33Å; W419-Q427 VanDerWaalsContact CH2-CA 3.48Å; W419-Q427 HydrophobicContact CH2-CB 3.46Å; W419-Q427 VanDerWaalsContact CH2-CB 3.46Å; W419-Q427 HydrophobicContact CH2-CG 3.68Å; W419-Q427 HydrophobicContact CZ2-CB 3.39Å; W419-Q427 HydrophobicContact CZ2-CG 3.42Å; W419-Q427 VanDerWaalsContact CZ2-CG 3.42Å; W419-Q427 HydrophobicContact CZ3-CB 4.26Å; W419-Q427 HydrophobicContact CZ3-CG 4.12Å; W419-Q427 PolarHBondContact O-NE2 3.29Å; W419-Q427 VanDerWaalsContact O-NE2 3.17Å; W419-I430 HydrophobicContact CE3-CD1 4.45Å; W419-I430 HydrophobicContact CH2-CB 4.37Å; W419-I430 HydrophobicContact CH2-CD1 4.47Å; W419-I430 HydrophobicContact CH2-CG2 4.48Å; W419-I430 HydrophobicContact CZ3-CB 4.11Å; W419-I430 HydrophobicContact CZ3-CD1 3.67Å; W419-I430 HydrophobicContact CZ3-CG2 4.02Å; W419-R431 HydrophobicContact CH2-CG 4.29Å; W419-L456 HydrophobicContact CB-CD2 4.02Å; W419-L456 HydrophobicContact CD2-CD2 4.48Å; W419-L456 HydrophobicContact CE3-CD1 3.85Å; W419-L456 HydrophobicContact CE3-CD2 3.8Å; W419-L456 HydrophobicContact CZ3-CD1 4.04Å
420	E	98.1	Very high	98.3	Very high	130 Å²	130	59.2 Å²	59.2	61%	0.607	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-69.4	-18.8	-176.2	-58.3	70.9	-149	0	0	113	R418 L422	R418-E420 WeakPolarHBondContact CB-OE2 3.29Å; R418-E420 PolarHBondContact O-N 3.29Å; E420-L422 VanDerWaalsContact C-N 3.28Å
421	D	98.3	Very high	98.3	Very high	65 Å²	65	57.5 Å²	57.5	35%	0.348	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-78	-17.3	176.9	-50.4	-30.7	0	0	0	111.3	A416 R417 R418 W419	A416-D421 HydrophobicContact CB-CB 3.8Å; R417-D421 PolarHBondContact N-OD2 3.37Å; R418-D421 IonicContact CZ-OD1 2.76Å; R418-D421 PolarHBondContact N-OD2 3.41Å; R418-D421 IonicContact NE-OD1 3.69Å; R418-D421 PolarHBondContact NE-OD1 2.87Å; R418-D421 IonicContact NE-OD2 3.61Å; R418-D421 IonicContact NH2-OD1 3.41Å; R418-D421 PolarHBondContact NH2-OD1 3.45Å; R418-D421 WeakPolarHBondContact O-CB 3.41Å; R418-D421 PolarHBondContact O-N 3.05Å; R418-D421 VanDerWaalsContact O-N 3.12Å; W419-D421 PolarHBondContact O-N 3.09Å
422	L	98.6	Very high	98.4	Very high	4 Å²	4	56.8 Å²	56.8	2%	0.021	29%	0.286	C	S	.	.	S	Bend	trans	-77.8	140	178.8	-64.6	173.8	0	0	0	111.3	L364 T413 A416 W419 E420 A426 Q427 I430 V444 V446 I454	L364-L422 HydrophobicContact CD2-CD2 4.46Å; T413-L422 HydrophobicContact CG2-CD2 4.25Å; A416-L422 HydrophobicContact CB-CD2 3.82Å; A416-L422 HydrophobicContact CB-CG 4.44Å; W419-L422 HydrophobicContact CE3-CD1 4.13Å; W419-L422 HydrophobicContact CZ3-CD1 4.47Å; W419-L422 WeakPolarHBondContact O-CB 3.49Å; W419-L422 PolarHBondContact O-N 2.96Å; W419-L422 VanDerWaalsContact O-N 3.12Å; E420-L422 VanDerWaalsContact C-N 3.28Å; L422-A426 HydrophobicContact CB-CB 4.48Å; L422-Q427 HydrophobicContact CB-CG 3.91Å; L422-Q427 PolarHBondContact O-NE2 2.92Å; L422-I430 HydrophobicContact CD1-CD1 3.67Å; L422-V444 HydrophobicContact CD1-CG1 4.45Å; L422-V446 HydrophobicContact CD2-CG1 4.13Å; L422-I454 HydrophobicContact CD1-CD1 4.23Å; L422-I454 HydrophobicContact CD2-CD1 3.95Å; L422-I454 HydrophobicContact CG-CD1 4.09Å
423	P	98.5	Very high	98.4	Very high	26 Å²	26	51 Å²	51	17%	0.169	26%	0.256	C	S	.	.			trans	-64.8	151.2	177.1	25.6	-32	0	0	0	111.3	W409 T413 Q425 A426 Q427	W409-P423 HydrophobicContact CB-CB 3.97Å; W409-P423 HydrophobicContact CB-CG 3.6Å; W409-P423 HydrophobicContact CG-CG 3.68Å; T413-P423 HydrophobicContact CG2-CG 4.05Å; P423-Q425 PolarHBondContact O-N 3.29Å; P423-Q425 VanDerWaalsContact O-N 3.08Å; P423-A426 HydrophobicContact CG-CB 3.72Å; P423-A426 WeakPolarHBondContact O-CB 3.44Å; P423-A426 PolarHBondContact O-N 3.35Å; P423-Q427 PolarHBondContact O-N 2.9Å
424	P	98.6	Very high	98.4	Very high	83 Å²	83	52.8 Å²	52.8	54%	0.539	26%	0.264	S	S	.	.	H	α-helix	trans	-53.4	-35.8	-176	-28.9	35.6	0	0	0	114.5	Q427 N428	P424-Q427 WeakPolarHBondContact O-CB 3.26Å; P424-Q427 PolarHBondContact O-N 3.33Å; P424-N428 WeakPolarHBondContact O-CB 3.42Å; P424-N428 PolarHBondContact O-N 3.14Å; P424-N428 PolarHBondContact O-ND2 3.43Å
425	Q	98.8	Very high	98.4	Very high	73 Å²	73	56.4 Å²	56.4	34%	0.341	28%	0.281	S	S	.	.	H	α-helix	trans	-71.7	-34.6	179	-58.6	81.6	-16.6	0	0	112	P407 W409 P423 N428 Y429	P407-Q425 HydrophobicContact CB-CG 4.38Å; P407-Q425 HydrophobicContact CG-CG 4.19Å; W409-Q425 HydrophobicContact CB-CB 4.06Å; W409-Q425 HydrophobicContact CE3-CB 4.33Å; P423-Q425 PolarHBondContact O-N 3.29Å; P423-Q425 VanDerWaalsContact O-N 3.08Å; Q425-N428 PolarHBondContact O-N 3.43Å; Q425-Y429 WeakPolarHBondContact O-CB 3.4Å; Q425-Y429 PolarHBondContact O-N 3.49Å
426	A	98.8	Very high	98.5	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-68.3	-41.7	172.5	0	0	0	0	0	111.1	L364 W409 L422 P423 N428 Y429 I430	L364-A426 HydrophobicContact CD2-CB 4.3Å; W409-A426 HydrophobicContact CD2-CB 3.77Å; W409-A426 HydrophobicContact CE3-CB 3.83Å; W409-A426 HydrophobicContact CG-CB 4.27Å; W409-A426 HydrophobicContact CH2-CB 4.34Å; W409-A426 HydrophobicContact CZ2-CB 4.28Å; W409-A426 HydrophobicContact CZ3-CB 4.11Å; L422-A426 HydrophobicContact CB-CB 4.48Å; P423-A426 HydrophobicContact CG-CB 3.72Å; P423-A426 WeakPolarHBondContact O-CB 3.44Å; P423-A426 PolarHBondContact O-N 3.35Å; A426-N428 VanDerWaalsContact C-N 3.32Å; A426-N428 PolarHBondContact O-N 2.92Å; A426-Y429 WeakPolarHBondContact O-CB 3.06Å; A426-Y429 PolarHBondContact O-N 3.14Å; A426-I430 WeakPolarHBondContact O-CD1 3.27Å; A426-I430 WeakPolarHBondContact O-CG1 3.49Å; A426-I430 PolarHBondContact O-N 3.39Å
427	Q	98.8	Very high	98.4	Very high	35 Å²	35	57 Å²	57	16%	0.164	27%	0.268	C	S	.	.	H	α-helix	trans	-58.1	-44.4	171.9	-68.8	-173.7	21.6	0	0	111.6	W419 L422 P423 P424 Y429 I430 R431	W419-Q427 HydrophobicContact CD2-CG 4.18Å; W419-Q427 VanDerWaalsContact CE2-CD 3.49Å; W419-Q427 HydrophobicContact CE3-CG 4.33Å; W419-Q427 VanDerWaalsContact CH2-CA 3.48Å; W419-Q427 HydrophobicContact CH2-CB 3.46Å; W419-Q427 VanDerWaalsContact CH2-CB 3.46Å; W419-Q427 HydrophobicContact CH2-CG 3.68Å; W419-Q427 HydrophobicContact CZ2-CB 3.39Å; W419-Q427 HydrophobicContact CZ2-CG 3.42Å; W419-Q427 VanDerWaalsContact CZ2-CG 3.42Å; W419-Q427 HydrophobicContact CZ3-CB 4.26Å; W419-Q427 HydrophobicContact CZ3-CG 4.12Å; W419-Q427 PolarHBondContact O-NE2 3.29Å; W419-Q427 VanDerWaalsContact O-NE2 3.17Å; L422-Q427 HydrophobicContact CB-CG 3.91Å; L422-Q427 PolarHBondContact O-NE2 2.92Å; P423-Q427 PolarHBondContact O-N 2.9Å; P424-Q427 WeakPolarHBondContact O-CB 3.26Å; P424-Q427 PolarHBondContact O-N 3.33Å; Q427-Y429 PolarHBondContact O-N 3.21Å; Q427-I430 PolarHBondContact O-N 3.31Å; Q427-R431 WeakPolarHBondContact O-CG 3.34Å; Q427-R431 PolarHBondContact O-N 2.87Å
428	N	98.8	Very high	98.5	Very high	95 Å²	95	55.9 Å²	55.9	51%	0.508	29%	0.285	S	S	.	.	H	α-helix	trans	-65	-37.8	176.5	-71.8	-21.2	0	0	0	112.2	P424 Q425 A426 I430 R431 F432	P424-N428 WeakPolarHBondContact O-CB 3.42Å; P424-N428 PolarHBondContact O-N 3.14Å; P424-N428 PolarHBondContact O-ND2 3.43Å; Q425-N428 PolarHBondContact O-N 3.43Å; A426-N428 VanDerWaalsContact C-N 3.32Å; A426-N428 PolarHBondContact O-N 2.92Å; N428-I430 VanDerWaalsContact C-N 3.35Å; N428-R431 PolarHBondContact O-N 3.21Å; N428-F432 VanDerWaalsContact O-CB 3.23Å; N428-F432 WeakPolarHBondContact O-CB 3.23Å; N428-F432 PolarHBondContact O-N 3.4Å
429	Y	98.9	Very high	98.5	Very high	3 Å²	3	49.2 Å²	49.2	1%	0.012	26%	0.261	C	S	.	.	H	α-helix	trans	-59.7	-45.1	173.6	-175.7	-90.8	0	0	0	111.6	A300 L342 L361 L364 L367 I373 V375 L406 W409 Q425 A426 Q427 F432 V433	A300-Y429 HydrophobicContact CB-CE1 4.27Å; A300-Y429 PolarHBondContact O-OH 2.9Å; L342-Y429 WeakPolarHBondContact CB-OH 3.25Å; L342-Y429 HydrophobicContact CD2-CE1 4.49Å; L342-Y429 WeakPolarHBondContact CD2-OH 3.43Å; L361-Y429 HydrophobicContact CD2-CD1 4.26Å; L361-Y429 HydrophobicContact CD2-CE1 4.22Å; L364-Y429 HydrophobicContact CD1-CD1 3.82Å; L364-Y429 HydrophobicContact CD1-CE1 4.19Å; L367-Y429 HydrophobicContact CD1-CE1 4.27Å; L367-Y429 HydrophobicContact CD1-CE2 4.36Å; I373-Y429 HydrophobicContact CD1-CD2 4.48Å; I373-Y429 HydrophobicContact CG2-CD2 4.26Å; I373-Y429 HydrophobicContact CG2-CE2 3.67Å; V375-Y429 HydrophobicContact CG2-CE2 3.68Å; L406-Y429 HydrophobicContact CD1-CD2 3.78Å; L406-Y429 HydrophobicContact CD1-CE2 4.33Å; W409-Y429 HydrophobicContact CZ3-CG 4.29Å; Q425-Y429 WeakPolarHBondContact O-CB 3.4Å; Q425-Y429 PolarHBondContact O-N 3.49Å; A426-Y429 WeakPolarHBondContact O-CB 3.06Å; A426-Y429 PolarHBondContact O-N 3.14Å; Q427-Y429 PolarHBondContact O-N 3.21Å; Y429-F432 WeakPolarHBondContact O-CB 3.49Å; Y429-F432 PolarHBondContact O-N 3.04Å; Y429-V433 HydrophobicContact CE1-CG2 4.16Å; Y429-V433 WeakPolarHBondContact O-CG2 3.41Å; Y429-V433 PolarHBondContact O-N 3.38Å; Y429-V433 VanDerWaalsContact O-N 3.12Å
430	I	98.8	Very high	98.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.2	-50.6	177.5	-65.8	156.7	0	0	0	110.7	L361 L364 W419 L422 A426 Q427 N428 F432 V433 E434 V441 V444 L456	L361-I430 HydrophobicContact CD2-CG1 3.76Å; L364-I430 HydrophobicContact CD2-CD1 3.92Å; L364-I430 HydrophobicContact CD2-CG1 4.33Å; W419-I430 HydrophobicContact CE3-CD1 4.45Å; W419-I430 HydrophobicContact CH2-CB 4.37Å; W419-I430 HydrophobicContact CH2-CD1 4.47Å; W419-I430 HydrophobicContact CH2-CG2 4.48Å; W419-I430 HydrophobicContact CZ3-CB 4.11Å; W419-I430 HydrophobicContact CZ3-CD1 3.67Å; W419-I430 HydrophobicContact CZ3-CG2 4.02Å; L422-I430 HydrophobicContact CD1-CD1 3.67Å; A426-I430 WeakPolarHBondContact O-CD1 3.27Å; A426-I430 WeakPolarHBondContact O-CG1 3.49Å; A426-I430 PolarHBondContact O-N 3.39Å; Q427-I430 PolarHBondContact O-N 3.31Å; N428-I430 VanDerWaalsContact C-N 3.35Å; I430-F432 PolarHBondContact O-N 3.45Å; I430-V433 WeakPolarHBondContact O-CB 3.31Å; I430-V433 PolarHBondContact O-N 2.81Å; I430-V433 VanDerWaalsContact O-N 3.08Å; I430-E434 WeakPolarHBondContact O-CG 3.26Å; I430-E434 PolarHBondContact O-N 3.28Å; I430-V441 HydrophobicContact CG2-CB 3.94Å; I430-V441 HydrophobicContact CG2-CG1 4.12Å; I430-V441 HydrophobicContact CG2-CG2 4.07Å; I430-V444 HydrophobicContact CD1-CG1 4.11Å; I430-V444 HydrophobicContact CD1-CG2 3.8Å; I430-V444 HydrophobicContact CG1-CG2 4.37Å; I430-L456 HydrophobicContact CG2-CD1 4.48Å
431	R	98.8	Very high	98.6	Very high	121 Å²	121	42.7 Å²	42.7	46%	0.457	24%	0.239	S	C	.	.	H	α-helix	trans	-60.2	-36	177.1	-70	179.7	-175.5	-165.9	2.7	112.3	W419 Q427 N428 V433 E434 N435	W419-R431 HydrophobicContact CH2-CG 4.29Å; Q427-R431 WeakPolarHBondContact O-CG 3.34Å; Q427-R431 PolarHBondContact O-N 2.87Å; N428-R431 PolarHBondContact O-N 3.21Å; R431-V433 VanDerWaalsContact C-N 3.33Å; R431-V433 PolarHBondContact O-N 2.96Å; R431-E434 PolarHBondContact O-N 3.33Å; R431-N435 VanDerWaalsContact O-CB 3.31Å; R431-N435 WeakPolarHBondContact O-CB 3.5Å; R431-N435 PolarHBondContact O-N 3.22Å; R431-N435 PolarHBondContact O-ND2 3.5Å
432	F	98.8	Very high	98.6	Very high	27 Å²	27	41 Å²	41	12%	0.118	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-44.3	175.8	-174.7	-90.3	0	0	0	111	L344 V375 I377 E404 L406 N428 Y429 I430 H436	L344-F432 HydrophobicContact CD1-CD1 4.2Å; L344-F432 HydrophobicContact CD1-CE1 3.62Å; V375-F432 HydrophobicContact CB-CE1 4.01Å; V375-F432 HydrophobicContact CG1-CE1 3.95Å; V375-F432 HydrophobicContact CG2-CE1 4.37Å; I377-F432 HydrophobicContact CG2-CE1 4.15Å; I377-F432 HydrophobicContact CG2-CZ 3.83Å; E404-F432 HydrophobicContact CB-CE2 4.29Å; E404-F432 HydrophobicContact CB-CZ 3.66Å; E404-F432 HydrophobicContact CG-CE2 3.79Å; E404-F432 HydrophobicContact CG-CZ 3.7Å; L406-F432 HydrophobicContact CD1-CB 4.1Å; L406-F432 HydrophobicContact CD1-CD1 3.86Å; L406-F432 HydrophobicContact CD1-CD2 4.14Å; L406-F432 HydrophobicContact CD1-CE1 4.29Å; L406-F432 HydrophobicContact CD1-CG 3.78Å; L406-F432 HydrophobicContact CD2-CD2 3.96Å; L406-F432 HydrophobicContact CD2-CE2 4.04Å; L406-F432 HydrophobicContact CD2-CG 4.44Å; N428-F432 VanDerWaalsContact O-CB 3.23Å; N428-F432 WeakPolarHBondContact O-CB 3.23Å; N428-F432 PolarHBondContact O-N 3.4Å; Y429-F432 WeakPolarHBondContact O-CB 3.49Å; Y429-F432 PolarHBondContact O-N 3.04Å; I430-F432 PolarHBondContact O-N 3.45Å; F432-H436 AromaticContact CD1-ND1 3.8Å; F432-H436 AromaticContact CD2-CE1 3.61Å; F432-H436 AromaticContact CD2-ND1 3.94Å; F432-H436 AromaticContact CE1-CE1 3.68Å; F432-H436 AromaticContact CE1-ND1 3.73Å; F432-H436 AromaticContact CE2-CE1 3.19Å; F432-H436 WeakPolarHBondContact CE2-CE1 3.41Å; F432-H436 AromaticContact CE2-ND1 3.88Å; F432-H436 AromaticContact CE2-NE2 4Å; F432-H436 AromaticContact CG-ND1 3.91Å; F432-H436 AromaticContact CZ-CE1 3.21Å; F432-H436 WeakPolarHBondContact CZ-CE1 3.48Å; F432-H436 AromaticContact CZ-ND1 3.76Å; F432-H436 AromaticContact CZ-NE2 3.72Å; F432-H436 PolarHBondContact O-N 3.43Å; F432-H436 PolarHBondContact O-ND1 2.75Å
433	V	98.7	Very high	98.6	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-62.8	-49.8	174.7	177.7	0	0	0	0	111.1	L342 L344 L347 L359 Y429 I430 R431 N435 H436 V437	L342-V433 HydrophobicContact CD2-CG2 3.48Å; L342-V433 VanDerWaalsContact CD2-CG2 3.48Å; L344-V433 HydrophobicContact CD2-CG1 4.43Å; L347-V433 HydrophobicContact CD2-CG1 3.86Å; L359-V433 HydrophobicContact CD1-CG1 4.35Å; Y429-V433 HydrophobicContact CE1-CG2 4.16Å; Y429-V433 WeakPolarHBondContact O-CG2 3.41Å; Y429-V433 PolarHBondContact O-N 3.38Å; Y429-V433 VanDerWaalsContact O-N 3.12Å; I430-V433 WeakPolarHBondContact O-CB 3.31Å; I430-V433 PolarHBondContact O-N 2.81Å; I430-V433 VanDerWaalsContact O-N 3.08Å; R431-V433 VanDerWaalsContact C-N 3.33Å; R431-V433 PolarHBondContact O-N 2.96Å; V433-N435 PolarHBondContact O-N 3.36Å; V433-H436 PolarHBondContact O-N 2.9Å; V433-V437 HydrophobicContact CG1-CG2 4.27Å; V433-V437 VanDerWaalsContact O-CG2 3.28Å; V433-V437 WeakPolarHBondContact O-CG2 3.47Å; V433-V437 PolarHBondContact O-N 2.87Å; V433-V437 VanDerWaalsContact O-N 3.08Å
434	E	98.6	Very high	98.6	Very high	41 Å²	41	39.8 Å²	39.8	19%	0.192	22%	0.22	C	C	.	.	H	α-helix	trans	-55.3	-49.4	179.4	-67.6	178.9	127.8	0	0	111.9	I430 R431 H436 V437 G438 V439 A440 V441	I430-E434 WeakPolarHBondContact O-CG 3.26Å; I430-E434 PolarHBondContact O-N 3.28Å; R431-E434 PolarHBondContact O-N 3.33Å; E434-H436 VanDerWaalsContact C-N 3.32Å; E434-H436 PolarHBondContact O-N 3.09Å; E434-V437 PolarHBondContact O-N 3.21Å; E434-G438 WeakPolarHBondContact O-CA 3.19Å; E434-G438 PolarHBondContact O-N 3Å; E434-V439 WeakPolarHBondContact CA-O 3.48Å; E434-V439 PolarHBondContact O-N 3.41Å; E434-A440 WeakPolarHBondContact OE1-CA 3.41Å; E434-V441 HydrophobicContact CG-CB 4.05Å; E434-V441 HydrophobicContact CG-CG2 3.64Å; E434-V441 PolarHBondContact OE1-N 3.15Å
435	N	98.4	Very high	98.6	Very high	131 Å²	131	35.9 Å²	35.9	70%	0.701	20%	0.195	S	C	*	.	H	α-helix	trans	-63.1	-36.8	-177.6	-70.6	-21.2	0	0	0	112.6	R431 V433	R431-N435 VanDerWaalsContact O-CB 3.31Å; R431-N435 WeakPolarHBondContact O-CB 3.5Å; R431-N435 PolarHBondContact O-N 3.22Å; R431-N435 PolarHBondContact O-ND2 3.5Å; V433-N435 PolarHBondContact O-N 3.36Å
436	H	98.1	Very high	98.6	Very high	64 Å²	64	32.4 Å²	32.4	30%	0.296	18%	0.179	S	C	.	.	H	α-helix	trans	-80.7	-24.9	-178.5	-77	82	0	0	0	113.6	L344 R348 F432 V433 E434	L344-H436 HydrophobicContact CD1-CB 3.6Å; L344-H436 HydrophobicContact CD2-CB 4.25Å; L344-H436 HydrophobicContact CG-CB 4.39Å; R348-H436 VanDerWaalsContact CD-O 3.26Å; R348-H436 WeakPolarHBondContact CD-O 3.37Å; R348-H436 WeakPolarHBondContact CG-O 3.26Å; F432-H436 AromaticContact CD1-ND1 3.8Å; F432-H436 AromaticContact CD2-CE1 3.61Å; F432-H436 AromaticContact CD2-ND1 3.94Å; F432-H436 AromaticContact CE1-CE1 3.68Å; F432-H436 AromaticContact CE1-ND1 3.73Å; F432-H436 AromaticContact CE2-CE1 3.19Å; F432-H436 WeakPolarHBondContact CE2-CE1 3.41Å; F432-H436 AromaticContact CE2-ND1 3.88Å; F432-H436 AromaticContact CE2-NE2 4Å; F432-H436 AromaticContact CG-ND1 3.91Å; F432-H436 AromaticContact CZ-CE1 3.21Å; F432-H436 WeakPolarHBondContact CZ-CE1 3.48Å; F432-H436 AromaticContact CZ-ND1 3.76Å; F432-H436 AromaticContact CZ-NE2 3.72Å; F432-H436 PolarHBondContact O-N 3.43Å; F432-H436 PolarHBondContact O-ND1 2.75Å; V433-H436 PolarHBondContact O-N 2.9Å; E434-H436 VanDerWaalsContact C-N 3.32Å; E434-H436 PolarHBondContact O-N 3.09Å
437	V	97.8	Very high	98.2	Very high	12 Å²	12	32.9 Å²	32.9	7%	0.073	18%	0.184	C	C	.	.	H	α-helix	trans	-93.9	-28.8	178.9	-174.6	0	0	0	0	111.2	L344 L347 H351 L359 V433 E434 V439	L344-V437 HydrophobicContact CD2-CG2 4.16Å; L347-V437 HydrophobicContact CB-CG2 4.34Å; L347-V437 HydrophobicContact CD2-CG2 3.46Å; L347-V437 VanDerWaalsContact CD2-CG2 3.46Å; L347-V437 HydrophobicContact CG-CG1 4.38Å; L347-V437 HydrophobicContact CG-CG2 3.64Å; H351-V437 HydrophobicContact CB-CG1 4.04Å; L359-V437 HydrophobicContact CD1-CB 4.49Å; L359-V437 HydrophobicContact CD1-CG1 4.33Å; V433-V437 HydrophobicContact CG1-CG2 4.27Å; V433-V437 VanDerWaalsContact O-CG2 3.28Å; V433-V437 WeakPolarHBondContact O-CG2 3.47Å; V433-V437 PolarHBondContact O-N 2.87Å; V433-V437 VanDerWaalsContact O-N 3.08Å; E434-V437 PolarHBondContact O-N 3.21Å; V437-V439 HydrophobicContact CG1-CB 4.15Å; V437-V439 HydrophobicContact CG1-CG2 3.92Å
438	G	98.3	Very high	97.5	Very high	68 Å²	68	38.6 Å²	38.6	70%	0.701	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.1	18.5	-172.6	0	0	0	0	0	113.4	E434	E434-G438 WeakPolarHBondContact O-CA 3.19Å; E434-G438 PolarHBondContact O-N 3Å
439	V	98.6	Very high	96.8	Very high	9 Å²	9	36.5 Å²	36.5	6%	0.055	20%	0.201	C	C	.	.			trans	-131.1	130	-177.2	-175.5	0	0	0	0	109.3	H351 F356 L359 E434 V437	H351-V439 WeakPolarHBondContact CE1-CG2 3.4Å; H351-V439 WeakPolarHBondContact ND1-CG2 3.09Å; F356-V439 HydrophobicContact CB-CG1 4.2Å; F356-V439 HydrophobicContact CB-CG2 4.5Å; L359-V439 HydrophobicContact CD1-CB 4.28Å; L359-V439 HydrophobicContact CD2-CG1 4.29Å; L359-V439 HydrophobicContact CG-CB 4.11Å; L359-V439 HydrophobicContact CG-CG1 3.83Å; E434-V439 WeakPolarHBondContact CA-O 3.48Å; E434-V439 PolarHBondContact O-N 3.41Å; V437-V439 HydrophobicContact CG1-CB 4.15Å; V437-V439 HydrophobicContact CG1-CG2 3.92Å
440	A	98.6	Very high	96.1	Very high	40 Å²	40	41 Å²	41	33%	0.331	22%	0.218	S	C	.	.			trans	-68.9	145	179.4	0	0	0	0	0	112	A358 L359 E434 F457	A358-A440 CarbonylContact C-O 3.51Å; A358-A440 WeakPolarHBondContact CA-O 3.47Å; L359-A440 PolarHBondContact N-O 3.39Å; E434-A440 WeakPolarHBondContact OE1-CA 3.41Å; A440-F457 HydrophobicContact CB-CE1 3.89Å; A440-F457 HydrophobicContact CB-CZ 3.86Å
441	V	98.8	Very high	95.5	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	116.6	171.4	173	0	0	0	0	107.6	L359 L361 I430 E434 W443 V444 L456 F457	L359-V441 HydrophobicContact CB-CG2 4.02Å; L359-V441 HydrophobicContact CD1-CG2 4.39Å; L359-V441 CarbonylContact O-C 3.52Å; L359-V441 WeakPolarHBondContact O-CA 3.24Å; L361-V441 HydrophobicContact CB-CG1 3.98Å; L361-V441 HydrophobicContact CB-CG2 4.46Å; I430-V441 HydrophobicContact CG2-CB 3.94Å; I430-V441 HydrophobicContact CG2-CG1 4.12Å; I430-V441 HydrophobicContact CG2-CG2 4.07Å; E434-V441 HydrophobicContact CG-CB 4.05Å; E434-V441 HydrophobicContact CG-CG2 3.64Å; E434-V441 PolarHBondContact OE1-N 3.15Å; V441-W443 VanDerWaalsContact CG1-O 3.23Å; V441-W443 WeakPolarHBondContact CG1-O 3.22Å; V441-V444 HydrophobicContact CG1-CG2 3.8Å; V441-L456 HydrophobicContact CG1-CD1 4.27Å; V441-L456 WeakPolarHBondContact O-CD1 3.34Å; V441-F457 WeakPolarHBondContact O-CE1 3.36Å
442	K	98.7	Very high	95.2	Very high	29 Å²	29	41.6 Å²	41.6	13%	0.126	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	-31.1	177	-176	171.8	175.9	76.3	0	112	Y295 A358 L359 Q455 L456 F457	Y295-K442 HydrophobicContact CE1-CD 4.23Å; A358-K442 HydrophobicContact CB-CB 3.74Å; A358-K442 HydrophobicContact CB-CD 4.35Å; L359-K442 PolarHBondContact O-N 3.46Å; K442-Q455 WeakPolarHBondContact O-CA 3.34Å; K442-L456 PolarHBondContact O-N 3.06Å; K442-F457 HydrophobicContact CB-CE1 4.08Å; K442-F457 HydrophobicContact CB-CE2 4.14Å; K442-F457 HydrophobicContact CB-CZ 3.74Å; K442-F457 HydrophobicContact CD-CE2 4.09Å; K442-F457 HydrophobicContact CG-CD2 4.34Å; K442-F457 HydrophobicContact CG-CE2 4.03Å; K442-F457 HydrophobicContact CG-CZ 4.12Å; K442-F457 PolarHBondContact NZ-O 2.97Å
443	W	98.7	Very high	95.1	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.015	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	141.8	-179.8	-64.6	-76	0	0	0	113.1	V49 L52 L53 Y295 L359 A360 L361 V441 M453 I454	V49-W443 HydrophobicContact CG1-CE3 4.44Å; V49-W443 HydrophobicContact CG1-CZ3 4.45Å; L52-W443 HydrophobicContact CD2-CG 4.45Å; L52-W443 HydrophobicContact CD2-CZ2 4.4Å; L52-W443 VanDerWaalsContact CD2-NE1 3.34Å; L53-W443 HydrophobicContact CD1-CH2 4.34Å; L53-W443 HydrophobicContact CD2-CH2 3.93Å; L53-W443 HydrophobicContact CD2-CZ2 3.96Å; Y295-W443 AromaticContact CD1-CZ3 3.94Å; Y295-W443 HydrophobicContact CD1-CZ3 3.94Å; Y295-W443 AromaticContact CD2-CH2 3.87Å; Y295-W443 HydrophobicContact CD2-CH2 3.87Å; Y295-W443 AromaticContact CD2-CZ3 3.64Å; Y295-W443 HydrophobicContact CD2-CZ3 3.64Å; Y295-W443 HydrophobicContact CE1-CH2 4.25Å; Y295-W443 HydrophobicContact CE1-CZ3 4.08Å; Y295-W443 AromaticContact CE2-CH2 3.5Å; Y295-W443 HydrophobicContact CE2-CH2 3.5Å; Y295-W443 AromaticContact CE2-CZ3 3.75Å; Y295-W443 HydrophobicContact CE2-CZ3 3.75Å; Y295-W443 HydrophobicContact CG-CH2 4.36Å; Y295-W443 AromaticContact CG-CZ3 3.73Å; Y295-W443 HydrophobicContact CG-CZ3 3.73Å; Y295-W443 AromaticContact CZ-CH2 3.73Å; Y295-W443 AromaticContact CZ-CZ3 3.98Å; L359-W443 PolarHBondContact O-N 2.93Å; A360-W443 CarbonylContact C-O 3.59Å; A360-W443 WeakPolarHBondContact CA-O 3.34Å; A360-W443 HydrophobicContact CB-CB 4.08Å; A360-W443 HydrophobicContact CB-CE3 4.2Å; L361-W443 PolarHBondContact N-O 3.49Å; V441-W443 VanDerWaalsContact CG1-O 3.23Å; V441-W443 WeakPolarHBondContact CG1-O 3.22Å; W443-M453 HydrophobicContact CB-CG 3.89Å; W443-M453 HydrophobicContact CB-SD 3.84Å; W443-M453 HydrophobicContact CG-CG 4.12Å; W443-I454 CarbonylContact C-O 3.56Å; W443-I454 VanDerWaalsContact CA-O 3.23Å; W443-I454 WeakPolarHBondContact CA-O 3.37Å
444	V	98.7	Very high	95	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	117.9	174.5	-176.3	0	0	0	0	109.6	L361 L364 L422 I430 V441 V446 I454 L456	L361-V444 CarbonylContact O-C 3.55Å; L361-V444 VanDerWaalsContact O-CA 3.28Å; L361-V444 WeakPolarHBondContact O-CA 3.34Å; L364-V444 HydrophobicContact CB-CG1 4.18Å; L364-V444 HydrophobicContact CD2-CG1 3.55Å; L422-V444 HydrophobicContact CD1-CG1 4.45Å; I430-V444 HydrophobicContact CD1-CG1 4.11Å; I430-V444 HydrophobicContact CD1-CG2 3.8Å; I430-V444 HydrophobicContact CG1-CG2 4.37Å; V441-V444 HydrophobicContact CG1-CG2 3.8Å; V444-V446 HydrophobicContact CG1-CG1 4.26Å; V444-I454 HydrophobicContact CB-CB 4.34Å; V444-I454 PolarHBondContact N-O 3.4Å; V444-I454 PolarHBondContact O-N 3.5Å; V444-L456 HydrophobicContact CG2-CD1 3.99Å; V444-L456 HydrophobicContact CG2-CD2 4.33Å; V444-L456 HydrophobicContact CG2-CG 4.29Å
445	G	98	Very high	94.9	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.01	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	118.4	178	0	0	0	0	0	111.7	L361 K363 L364 S452	L361-G445 PolarHBondContact O-N 2.91Å; K363-G445 PolarHBondContact N-O 3.43Å; L364-G445 PolarHBondContact N-O 3.13Å; G445-S452 WeakPolarHBondContact CA-O 3.46Å
446	V	97.9	Very high	94.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.219	C	C	.	.			trans	-116.3	17.4	178.6	-63.8	0	0	0	0	112.8	L364 D365 T413 T414 L422 V444 S452 I454	L364-V446 HydrophobicContact CB-CG1 4.39Å; D365-V446 HydrophobicContact CB-CB 4.43Å; D365-V446 WeakPolarHBondContact CB-O 3.38Å; D365-V446 VanDerWaalsContact CG-C 3.48Å; D365-V446 VanDerWaalsContact OD1-C 3.22Å; D365-V446 WeakPolarHBondContact OD1-CA 3.27Å; T413-V446 WeakPolarHBondContact O-CB 3.49Å; T413-V446 WeakPolarHBondContact O-CG2 3.45Å; T414-V446 VanDerWaalsContact CA-O 3.28Å; T414-V446 WeakPolarHBondContact CA-O 3.31Å; L422-V446 HydrophobicContact CD2-CG1 4.13Å; V444-V446 HydrophobicContact CG1-CG1 4.26Å; V446-S452 WeakPolarHBondContact CG2-O 3.08Å; V446-S452 PolarHBondContact N-O 2.71Å; V446-I454 HydrophobicContact CG1-CD1 4.21Å; V446-I454 HydrophobicContact CG2-CD1 4.27Å; V446-I454 HydrophobicContact CG2-CG1 4.43Å
447	G	92.3	Very high	94.7	Very high	11 Å²	11	44 Å²	44	11%	0.113	23%	0.234	C	C	.	.	S	Bend	trans	176.2	-175.1	-176.7	0	0	0	0	0	113.4	K48 D365 S452	K48-G447 PolarHBondContact NZ-O 2.86Å; D365-G447 PolarHBondContact OD1-N 3.21Å; G447-S452 VanDerWaalsContact CA-CB 3.48Å
448	K	84.1	Confident	94.6	Very high	155 Å²	155	45.6 Å²	45.6	67%	0.674	24%	0.242	S	C	*	.	S	Bend	trans	-85.2	-35.6	-174.5	-72.1	-175.5	-177.3	175.8	0	114.7	K48	K48-K448 VanDerWaalsContact CE-O 3.3Å; K48-K448 WeakPolarHBondContact CE-O 3.37Å
449	S	83.8	Confident	94.4	Very high	50 Å²	50	44.4 Å²	44.4	35%	0.35	22%	0.218	S	C	.	.	S	Bend	trans	-74.4	161.4	-176.6	56.5	0	0	0	0	111.5	E451 S452	S449-E451 VanDerWaalsContact C-N 3.27Å; S449-E451 PolarHBondContact O-N 3.47Å; S449-E451 WeakPolarHBondContact OG-CG 3.49Å; S449-E451 PolarHBondContact OG-OE1 3.23Å; S449-S452 WeakPolarHBondContact O-CB 3.46Å; S449-S452 PolarHBondContact O-N 3.1Å; S449-S452 VanDerWaalsContact O-N 3.13Å; S449-S452 PolarHBondContact OG-OG 3.42Å
450	R	83.1	Confident	94.2	Very high	97 Å²	97	46.4 Å²	46.4	37%	0.366	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-59.4	-38.9	176.4	-172.7	-173.1	-68.1	-172.8	-5.1	112.1	D51 L52 T55 S452 M453	D51-R450 PolarHBondContact O-NH2 3.46Å; D51-R450 IonicContact OD1-CZ 3.59Å; D51-R450 IonicContact OD1-NH2 3.66Å; D51-R450 PolarHBondContact OD1-NH2 2.94Å; D51-R450 IonicContact OD2-CZ 3.4Å; D51-R450 VanDerWaalsContact OD2-CZ 3.28Å; D51-R450 IonicContact OD2-NE 3.31Å; D51-R450 PolarHBondContact OD2-NE 3.49Å; D51-R450 IonicContact OD2-NH2 2.69Å; D51-R450 PolarHBondContact OD2-NH2 3.33Å; L52-R450 HydrophobicContact CD1-CG 4.16Å; T55-R450 PolarHBondContact OG1-NH1 2.99Å; R450-S452 PolarHBondContact O-N 2.61Å; R450-M453 WeakPolarHBondContact O-CB 3.3Å; R450-M453 PolarHBondContact O-N 3.03Å
451	E	86.9	Confident	93.9	Very high	127 Å²	127	46.8 Å²	46.8	59%	0.593	22%	0.221	S	C	*	.	G	3₁₀ helix	trans	-65	-21	177	55.5	165.6	-150.5	0	0	113.7	R417 S449 M453	R417-E451 WeakPolarHBondContact CD-O 3.33Å; R417-E451 IonicContact CZ-OE1 3.67Å; R417-E451 PolarHBondContact NE-O 3.43Å; R417-E451 IonicContact NH2-OE1 2.95Å; R417-E451 PolarHBondContact NH2-OE1 2.93Å; S449-E451 VanDerWaalsContact C-N 3.27Å; S449-E451 PolarHBondContact O-N 3.47Å; S449-E451 WeakPolarHBondContact OG-CG 3.49Å; S449-E451 PolarHBondContact OG-OE1 3.23Å; E451-M453 PolarHBondContact O-N 3.08Å
452	S	92.8	Very high	93.6	Very high	8 Å²	8	49.7 Å²	49.7	6%	0.056	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-79.7	14.1	174.5	-55.9	0	0	0	0	113.1	G445 V446 G447 S449 R450	G445-S452 WeakPolarHBondContact CA-O 3.46Å; V446-S452 WeakPolarHBondContact CG2-O 3.08Å; V446-S452 PolarHBondContact N-O 2.71Å; G447-S452 VanDerWaalsContact CA-CB 3.48Å; S449-S452 WeakPolarHBondContact O-CB 3.46Å; S449-S452 PolarHBondContact O-N 3.1Å; S449-S452 VanDerWaalsContact O-N 3.13Å; S449-S452 PolarHBondContact OG-OG 3.42Å; R450-S452 PolarHBondContact O-N 2.61Å
453	M	95.4	Very high	93.3	Very high	17 Å²	17	51.1 Å²	51.1	8%	0.084	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	94.6	173.5	-164.1	66.6	68.2	0	0	109.5	K48 V49 L52 T362 W443 R450 E451 Q455	K48-M453 HydrophobicContact CB-CE 3.78Å; K48-M453 HydrophobicContact CD-CE 4.18Å; V49-M453 HydrophobicContact CG2-CE 4.4Å; L52-M453 HydrophobicContact CD2-CG 4.22Å; T362-M453 HydrophobicContact CG2-CE 4.45Å; W443-M453 HydrophobicContact CB-CG 3.89Å; W443-M453 HydrophobicContact CB-SD 3.84Å; W443-M453 HydrophobicContact CG-CG 4.12Å; R450-M453 WeakPolarHBondContact O-CB 3.3Å; R450-M453 PolarHBondContact O-N 3.03Å; E451-M453 PolarHBondContact O-N 3.08Å; M453-Q455 PolarHBondContact O-N 3.46Å
454	I	97.4	Very high	92.9	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.01	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	123.4	179.7	-52.9	173.2	0	0	0	108.3	A416 L422 W443 V444 V446 L456	A416-I454 HydrophobicContact CB-CD1 3.71Å; L422-I454 HydrophobicContact CD1-CD1 4.23Å; L422-I454 HydrophobicContact CD2-CD1 3.95Å; L422-I454 HydrophobicContact CG-CD1 4.09Å; W443-I454 CarbonylContact C-O 3.56Å; W443-I454 VanDerWaalsContact CA-O 3.23Å; W443-I454 WeakPolarHBondContact CA-O 3.37Å; V444-I454 HydrophobicContact CB-CB 4.34Å; V444-I454 PolarHBondContact N-O 3.4Å; V444-I454 PolarHBondContact O-N 3.5Å; V446-I454 HydrophobicContact CG1-CD1 4.21Å; V446-I454 HydrophobicContact CG2-CD1 4.27Å; V446-I454 HydrophobicContact CG2-CG1 4.43Å; I454-L456 HydrophobicContact CG2-CD2 3.89Å
455	Q	97.5	Very high	92.4	Very high	108 Å²	108	58.6 Å²	58.6	51%	0.505	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	128.1	171.9	-176.6	176.2	-19.1	0	0	109.9	K442 M453 F457	K442-Q455 WeakPolarHBondContact O-CA 3.34Å; M453-Q455 PolarHBondContact O-N 3.46Å; Q455-F457 VanDerWaalsContact CG-O 3.3Å; Q455-F457 WeakPolarHBondContact CG-O 3.35Å; Q455-F457 PolarHBondContact NE2-O 2.88Å
456	L	96.8	Very high	92	Very high	47 Å²	47	63.4 Å²	63.4	25%	0.246	30%	0.301	C	S	.	.			trans	-90.8	-30.1	-176.9	-55.9	-165.5	0	0	0	113.1	W419 I430 V441 K442 V444 I454	W419-L456 HydrophobicContact CB-CD2 4.02Å; W419-L456 HydrophobicContact CD2-CD2 4.48Å; W419-L456 HydrophobicContact CE3-CD1 3.85Å; W419-L456 HydrophobicContact CE3-CD2 3.8Å; W419-L456 HydrophobicContact CZ3-CD1 4.04Å; I430-L456 HydrophobicContact CG2-CD1 4.48Å; V441-L456 HydrophobicContact CG1-CD1 4.27Å; V441-L456 WeakPolarHBondContact O-CD1 3.34Å; K442-L456 PolarHBondContact O-N 3.06Å; V444-L456 HydrophobicContact CG2-CD1 3.99Å; V444-L456 HydrophobicContact CG2-CD2 4.33Å; V444-L456 HydrophobicContact CG2-CG 4.29Å; I454-L456 HydrophobicContact CG2-CD2 3.89Å
457	F	95.6	Very high	91.4	Very high	139 Å²	139	69.2 Å²	69.2	61%	0.61	33%	0.328	S	S	*	.			trans	-159.2	0	176.4	58.6	-92	0	0	0	112.4	A358 A440 V441 K442 Q455	A358-F457 HydrophobicContact CB-CZ 4.42Å; A440-F457 HydrophobicContact CB-CE1 3.89Å; A440-F457 HydrophobicContact CB-CZ 3.86Å; V441-F457 WeakPolarHBondContact O-CE1 3.36Å; K442-F457 HydrophobicContact CB-CE1 4.08Å; K442-F457 HydrophobicContact CB-CE2 4.14Å; K442-F457 HydrophobicContact CB-CZ 3.74Å; K442-F457 HydrophobicContact CD-CE2 4.09Å; K442-F457 HydrophobicContact CG-CD2 4.34Å; K442-F457 HydrophobicContact CG-CE2 4.03Å; K442-F457 HydrophobicContact CG-CZ 4.12Å; K442-F457 PolarHBondContact NZ-O 2.97Å; Q455-F457 VanDerWaalsContact CG-O 3.3Å; Q455-F457 WeakPolarHBondContact CG-O 3.35Å; Q455-F457 PolarHBondContact NE2-O 2.88Å

Retrieved 457 of 457 residues in 927.5 ms (Link to these results)

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