A0A096MW68_PAPAN Loading...

Succinyl-CoA:3-ketoacid-coenzyme A transferase

Key enzyme for ketone body catabolism. Transfers the CoA moiety from succinate to acetoacetate. Formation of the enzyme-CoA intermediate proceeds via an unstable anhydride species formed between the carboxylate groups of the enzyme and substrate.

AlphaFold DB (A0A2K5WEA7), UniProt , Accession A0A096MW68, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 520 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	41.8	Very low	31.3	Very low	239 Å²	239	133.8 Å²	133.8	100%	1.177	80%	0.801	S	S	*	*				0	81.3	0	-62.4	-172.9	-160	0	0	106.9
2	A	30.9	Very low	31.3	Very low	97 Å²	97	142.6 Å²	142.6	80%	0.802	81%	0.809	S	S	*	*				54	98.4	94.1	0	0	0	0	0	110.9
3	A	29	Very low	31.2	Very low	90 Å²	90	144.1 Å²	144.1	74%	0.744	81%	0.812	S	S	*	*				65	127.8	55.5	0	0	0	0	0	115.1
4	L	31.9	Very low	31.3	Very low	139 Å²	139	142.8 Å²	142.8	73%	0.728	82%	0.815	S	S	*	*			trans	89.2	118.5	148.2	-114.5	82.9	0	0	0	120.9	L6	L4-L6 HydrophobicContact CD2-CD1 4.41Å
5	K	32.5	Very low	31.3	Very low	178 Å²	178	139.9 Å²	139.9	77%	0.774	82%	0.815	S	S	*	*				146	119.6	116.3	-88.5	165.9	176.4	-170.5	0	110.3
6	L	31.6	Very low	31.3	Very low	123 Å²	123	138.4 Å²	138.4	64%	0.644	82%	0.816	S	S	*	*			cis	111.8	125	43.9	-95.1	158.5	0	0	0	108.8	L4	L4-L6 HydrophobicContact CD2-CD1 4.41Å
7	L	30.5	Very low	31.7	Very low	151 Å²	151	135.8 Å²	135.8	79%	0.791	81%	0.813	S	S	*	*			trans	64.7	146.2	141.9	-68.7	166.1	0	0	0	117.7
8	S	28.5	Very low	31.7	Very low	101 Å²	101	136.1 Å²	136.1	71%	0.706	82%	0.821	S	S	*	*			cis	-175.1	144	13.2	38.3	0	0	0	0	107
9	S	29.7	Very low	31.8	Very low	118 Å²	118	132.3 Å²	132.3	83%	0.825	81%	0.813	S	S	*	*				159.8	100.6	119.1	62.4	0	0	0	0	109.3
10	G	28.3	Very low	32.3	Very low	76 Å²	76	131.4 Å²	131.4	78%	0.784	81%	0.811	S	S	*	*			trans	-77.7	130	156	0	0	0	0	0	108.6
11	L	29.9	Very low	32.6	Very low	160 Å²	160	137.2 Å²	137.2	84%	0.838	82%	0.818	S	S	*	*			trans	-130.2	112.9	145.6	-127.4	93.5	0	0	0	107.5	L13	L11-L13 HydrophobicContact CD2-CD1 4.4Å
12	R	30.8	Very low	32.4	Very low	239 Å²	239	129.6 Å²	129.6	90%	0.902	80%	0.801	S	S	*	*			trans	-70.5	134.6	162.9	-71	177.4	178.3	-163.8	-1.3	107.8
13	L	31	Very low	33.3	Very low	162 Å²	162	128.9 Å²	128.9	85%	0.848	80%	0.795	S	S	*	*			trans	-134.8	116	147	-106.5	126.3	0	0	0	108	L11	L11-L13 HydrophobicContact CD2-CD1 4.4Å
14	C	32.5	Very low	33.9	Very low	126 Å²	126	136 Å²	136	85%	0.851	80%	0.803	S	S	*	*			trans	-68.7	133	166.5	-84.1	0	0	0	0	110
15	A	30.6	Very low	34.6	Very low	99 Å²	99	140.8 Å²	140.8	82%	0.818	81%	0.813	S	S	*	*			trans	168.7	140.8	145.7	0	0	0	0	0	106.1
16	S	31.2	Very low	35.2	Very low	117 Å²	117	142.4 Å²	142.4	82%	0.818	82%	0.82	S	S	*	*			cis	-161	166.5	-3.7	55	0	0	0	0	105.6
17	A	37.8	Very low	36	Very low	94 Å²	94	139.9 Å²	139.9	78%	0.777	82%	0.824	S	S	*	*			trans	-61.9	164	-176.5	0	0	0	0	0	115.8
18	C	33.3	Very low	36.8	Very low	141 Å²	141	138.3 Å²	138.3	95%	0.953	82%	0.824	S	S	*	*			trans	92.4	124.7	152.1	-139.8	0	0	0	0	117.6
19	G	31.9	Very low	38.2	Very low	64 Å²	64	139.4 Å²	139.4	66%	0.66	83%	0.826	S	S	*	*			trans	145.9	77.1	160.4	0	0	0	0	0	117
20	S	43	Very low	39.4	Very low	113 Å²	113	137.3 Å²	137.3	79%	0.79	81%	0.811	S	S	*	*			trans	52.1	101.7	141.3	62.1	0	0	0	0	120.6
21	R	38.4	Very low	41	Very low	254 Å²	254	138.3 Å²	138.3	96%	0.958	81%	0.806	S	S	*	*			trans	-149.4	90.8	131.8	-67.1	-164.4	-169.7	-160.4	0.6	110.7
22	G	37.9	Very low	42.6	Very low	79 Å²	79	140 Å²	140	81%	0.814	81%	0.807	S	S	*	*			trans	-73.9	163.4	145.3	0	0	0	0	0	108.3
23	A	49.5	Very low	44.2	Very low	82 Å²	82	132.9 Å²	132.9	68%	0.678	79%	0.794	S	S	*	*			cis	-147.9	153.4	11	0	0	0	0	0	104.9
24	W	40.6	Very low	45.7	Very low	240 Å²	240	131.6 Å²	131.6	91%	0.909	79%	0.793	S	S	*	*	S	Bend		167.9	62.7	101	-89.5	81.3	0	0	0	106.7
25	Y	47	Very low	46.9	Very low	240 Å²	240	129.9 Å²	129.9	94%	0.941	78%	0.782	S	S	*	*			trans	-157.9	69.3	167.1	-96	-76.4	0	0	0	108.8
26	K	44.6	Very low	48.2	Very low	212 Å²	212	129.5 Å²	129.5	92%	0.922	78%	0.779	S	S	*	*			trans	-144.6	115.6	166.1	-81.9	-167.1	176.8	179.9	0	110.4
27	G	49.2	Very low	49.7	Very low	70 Å²	70	130.5 Å²	130.5	72%	0.722	77%	0.771	S	S	*	*			trans	86	57.3	147.3	0	0	0	0	0	116.8	V29	G27-V29 PolarHBondContact O-N 3.16Å; G27-V29 VanDerWaalsContact O-N 3.09Å
28	C	48.1	Very low	51.3	Low	118 Å²	118	132.1 Å²	132.1	80%	0.797	76%	0.756	S	S	*	*			trans	-78.5	81.2	151.3	-158.7	0	0	0	0	107.3	C30	C28-C30 VanDerWaalsContact C-N 3.33Å; C28-C30 PolarHBondContact O-N 3.41Å
29	V	56.8	Low	53.6	Low	123 Å²	123	132.2 Å²	132.2	75%	0.745	74%	0.743	S	S	*	*			trans	-62.8	104.3	162.9	-179.9	0	0	0	0	104.9	G27 S31	G27-V29 PolarHBondContact O-N 3.16Å; G27-V29 VanDerWaalsContact O-N 3.09Å; V29-S31 PolarHBondContact O-N 3.44Å
30	C	55.9	Low	56.7	Low	75 Å²	75	129.7 Å²	129.7	51%	0.507	71%	0.714	S	S	.	*			trans	-67.1	89.5	175.2	-65.2	0	0	0	0	107.2	C28 F32	C28-C30 VanDerWaalsContact C-N 3.33Å; C28-C30 PolarHBondContact O-N 3.41Å; C30-F32 HydrophobicContact CB-CD2 4.12Å; C30-F32 HydrophobicContact CB-CE1 4.09Å; C30-F32 HydrophobicContact CB-CE2 3.5Å; C30-F32 VanDerWaalsContact CB-CE2 3.5Å; C30-F32 HydrophobicContact CB-CZ 3.48Å; C30-F32 VanDerWaalsContact CB-CZ 3.48Å; C30-F32 WeakPolarHBondContact O-CD2 3.11Å; C30-F32 WeakPolarHBondContact O-CE2 3.41Å; C30-F32 PolarHBondContact O-N 3.28Å
31	S	60.2	Low	59.3	Low	96 Å²	96	129.9 Å²	129.9	67%	0.671	70%	0.701	S	S	*	*			trans	-69.3	99.8	170.2	-104.1	0	0	0	0	107.5	V29 S33	V29-S31 PolarHBondContact O-N 3.44Å; S31-S33 PolarHBondContact O-N 3.4Å
32	F	64.6	Low	62.2	Low	195 Å²	195	121.6 Å²	121.6	86%	0.855	67%	0.672	S	S	*	*			trans	-77.5	0.1	-175.7	-70.8	-73.7	0	0	0	114.1	C30	C30-F32 HydrophobicContact CB-CD2 4.12Å; C30-F32 HydrophobicContact CB-CE1 4.09Å; C30-F32 HydrophobicContact CB-CE2 3.5Å; C30-F32 VanDerWaalsContact CB-CE2 3.5Å; C30-F32 HydrophobicContact CB-CZ 3.48Å; C30-F32 VanDerWaalsContact CB-CZ 3.48Å; C30-F32 WeakPolarHBondContact O-CD2 3.11Å; C30-F32 WeakPolarHBondContact O-CE2 3.41Å; C30-F32 PolarHBondContact O-N 3.28Å
33	S	63.9	Low	65	Low	90 Å²	90	119.7 Å²	119.7	63%	0.629	64%	0.641	S	S	*	*			trans	-163.3	137.2	170.6	-177.7	0	0	0	0	111.9	S31 S35	S31-S33 PolarHBondContact O-N 3.4Å; S33-S35 PolarHBondContact OG-N 2.94Å
34	T	62.6	Low	67.3	Low	135 Å²	135	122.6 Å²	122.6	83%	0.828	65%	0.65	S	S	*	*			trans	-108.5	14.1	172.3	57.6	0	0	0	0	112.2	A36	T34-A36 PolarHBondContact O-N 3.31Å
35	S	57.9	Low	70	Confident	90 Å²	90	114.4 Å²	114.4	63%	0.629	62%	0.624	S	S	*	*			trans	-70.4	99.3	-169.2	-175.5	0	0	0	0	112.3	S33	S33-S35 PolarHBondContact OG-N 2.94Å
36	A	58.6	Low	72.4	Confident	91 Å²	91	104 Å²	104	75%	0.752	59%	0.586	S	S	*	*			trans	-99.8	-9.6	165.6	0	0	0	0	0	112.7	T34	T34-A36 PolarHBondContact O-N 3.31Å
37	H	61.3	Low	75	Confident	139 Å²	139	95.7 Å²	95.7	64%	0.644	55%	0.553	S	S	*	*			trans	-81.8	126.3	-175.6	-152.8	-68.7	0	0	0	110.6
38	R	71.4	Confident	77.4	Confident	127 Å²	127	96 Å²	96	48%	0.479	54%	0.536	S	S	.	.			trans	-104.2	132.3	177.6	-57.3	175.5	-169.3	176	8.2	107.8	R217 I251	R38-R217 PolarHBondContact NH1-O 3.41Å; R38-I251 VanDerWaalsContact CZ-CD1 3.5Å; R38-I251 VanDerWaalsContact NH2-CD1 3.34Å
39	H	82.9	Confident	79.7	Confident	143 Å²	143	90.4 Å²	90.4	66%	0.662	50%	0.498	S	S	*	.			trans	-88.1	-24.6	178.3	-74.4	-77.2	0	0	0	112.4	K41	H39-K41 PolarHBondContact O-N 3.31Å
40	T	96.6	Very high	81.7	Confident	11 Å²	11	84.6 Å²	84.6	7%	0.067	46%	0.462	C	S	.	.	P	Polyproline II helix	trans	-64.8	117.5	178.5	-45.4	0	0	0	0	111.9	F42 A218 V266 L269	T40-F42 HydrophobicContact CG2-CD2 4.49Å; T40-F42 HydrophobicContact CG2-CE2 4.04Å; T40-F42 HydrophobicContact CG2-CZ 4.32Å; T40-A218 PolarHBondContact OG1-O 3.33Å; T40-V266 WeakPolarHBondContact CA-O 3.4Å; T40-V266 HydrophobicContact CG2-CB 4.42Å; T40-V266 HydrophobicContact CG2-CG1 3.86Å; T40-V266 PolarHBondContact OG1-O 2.94Å; T40-L269 HydrophobicContact CG2-CB 3.64Å; T40-L269 HydrophobicContact CG2-CD1 4.08Å
41	K	97.6	Very high	83.7	Confident	118 Å²	118	86.7 Å²	86.7	51%	0.513	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	123.3	172.8	-174.4	175.1	170.8	-163.5	0	110.6	H39 Y43 H267 R268 L269	H39-K41 PolarHBondContact O-N 3.31Å; K41-Y43 HydrophobicContact CB-CE2 3.96Å; K41-Y43 HydrophobicContact CD-CE2 3.72Å; K41-Y43 WeakPolarHBondContact CD-OH 3.47Å; K41-Y43 WeakPolarHBondContact CE-OH 3.4Å; K41-Y43 HydrophobicContact CG-CD2 4.25Å; K41-Y43 HydrophobicContact CG-CE2 3.63Å; K41-Y43 PolarHBondContact NZ-OH 2.78Å; K41-Y43 WeakPolarHBondContact O-CD2 3.48Å; K41-H267 PolarHBondContact N-O 3.12Å; K41-R268 CarbonylContact O-C 3.52Å; K41-R268 WeakPolarHBondContact O-CA 3.37Å; K41-L269 PolarHBondContact O-N 3.48Å
42	F	97.9	Very high	85.5	Confident	80 Å²	80	86 Å²	86	35%	0.351	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	133.8	178.1	-69.4	-101.1	0	0	0	110.9	T40 I248 L269	T40-F42 HydrophobicContact CG2-CD2 4.49Å; T40-F42 HydrophobicContact CG2-CE2 4.04Å; T40-F42 HydrophobicContact CG2-CZ 4.32Å; F42-I248 HydrophobicContact CD1-CD1 3.99Å; F42-I248 HydrophobicContact CE1-CD1 4.09Å; F42-I248 HydrophobicContact CE1-CG2 4.27Å; F42-L269 CarbonylContact C-O 3.56Å; F42-L269 WeakPolarHBondContact CA-O 3.25Å; F42-L269 HydrophobicContact CD1-CB 4.23Å; F42-L269 HydrophobicContact CD1-CD2 3.88Å; F42-L269 HydrophobicContact CE1-CB 4.27Å; F42-L269 HydrophobicContact CE1-CD1 4.12Å; F42-L269 HydrophobicContact CE1-CD2 3.7Å; F42-L269 HydrophobicContact CE1-CG 4.24Å; F42-L269 HydrophobicContact CZ-CD1 4.36Å
43	Y	98.4	Very high	87.2	Confident	38 Å²	38	77.1 Å²	77.1	15%	0.149	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	151.2	177.2	-72.5	-100.5	0	0	0	110.4	K41 E48 A49 R268 L269	K41-Y43 HydrophobicContact CB-CE2 3.96Å; K41-Y43 HydrophobicContact CD-CE2 3.72Å; K41-Y43 WeakPolarHBondContact CD-OH 3.47Å; K41-Y43 WeakPolarHBondContact CE-OH 3.4Å; K41-Y43 HydrophobicContact CG-CD2 4.25Å; K41-Y43 HydrophobicContact CG-CE2 3.63Å; K41-Y43 PolarHBondContact NZ-OH 2.78Å; K41-Y43 WeakPolarHBondContact O-CD2 3.48Å; Y43-E48 HydrophobicContact CD1-CB 4.02Å; Y43-E48 HydrophobicContact CE1-CB 4.36Å; Y43-E48 WeakPolarHBondContact CE1-O 3.35Å; Y43-A49 HydrophobicContact CD1-CB 4.14Å; Y43-A49 HydrophobicContact CD2-CB 4.3Å; Y43-A49 HydrophobicContact CG-CB 3.93Å; Y43-R268 HydrophobicContact CD2-CB 4.02Å; Y43-R268 HydrophobicContact CD2-CG 4.45Å; Y43-R268 HydrophobicContact CE2-CB 3.8Å; Y43-R268 HydrophobicContact CE2-CG 3.73Å; Y43-L269 PolarHBondContact N-O 2.62Å
44	T	97.3	Very high	88.8	Confident	143 Å²	143	76.2 Å²	76.2	88%	0.877	41%	0.405	S	S	*	.	S	Bend	trans	-105.7	-25.5	174.3	53.4	0	0	0	0	112.7
45	D	97.9	Very high	90.6	Very high	68 Å²	68	75.2 Å²	75.2	36%	0.364	40%	0.395	S	S	.	.			trans	-111	122.1	177.7	179.2	0.9	0	0	0	109.8	V47 E48 A49	D45-V47 PolarHBondContact O-N 2.9Å; D45-V47 PolarHBondContact OD1-N 3.36Å; D45-E48 HydrophobicContact CB-CB 4.13Å; D45-E48 HydrophobicContact CB-CG 4Å; D45-E48 PolarHBondContact O-N 2.92Å; D45-A49 PolarHBondContact O-N 3.47Å
46	P	97.6	Very high	92.5	Very high	22 Å²	22	73.1 Å²	73.1	14%	0.143	39%	0.387	C	S	.	.	H	α-helix	trans	-56.7	-35.2	175.4	-25.9	34.9	0	0	0	113.8	A49 V50 N72 A76 I270	P46-A49 WeakPolarHBondContact O-CB 3.13Å; P46-A49 PolarHBondContact O-N 3.46Å; P46-V50 PolarHBondContact O-N 3.1Å; P46-N72 HydrophobicContact CG-CB 4.34Å; P46-A76 HydrophobicContact CB-CB 3.61Å; P46-I270 VanDerWaalsContact CA-CD1 3.46Å; P46-I270 HydrophobicContact CB-CD1 4.01Å; P46-I270 VanDerWaalsContact CD-CD1 3.43Å; P46-I270 HydrophobicContact CG-CD1 3.54Å
47	V	98.3	Very high	94.4	Very high	37 Å²	37	68.9 Å²	68.9	22%	0.224	35%	0.352	C	S	.	.	H	α-helix	trans	-65.3	-45.2	-179.5	178	0	0	0	0	110.2	D45 A49 V50 K51 A76 K79 T80	D45-V47 PolarHBondContact O-N 2.9Å; D45-V47 PolarHBondContact OD1-N 3.36Å; V47-A49 PolarHBondContact O-N 2.69Å; V47-V50 CarbonylContact O-C 3.6Å; V47-V50 PolarHBondContact O-N 3.41Å; V47-V50 VanDerWaalsContact O-N 3.07Å; V47-K51 VanDerWaalsContact O-CB 3.32Å; V47-K51 WeakPolarHBondContact O-CB 3.32Å; V47-K51 PolarHBondContact O-N 2.84Å; V47-A76 HydrophobicContact CG2-CB 4.15Å; V47-K79 HydrophobicContact CG2-CB 4.42Å; V47-K79 HydrophobicContact CG2-CD 4.08Å; V47-T80 HydrophobicContact CG1-CG2 4.27Å
48	E	98.4	Very high	96.2	Very high	78 Å²	78	64 Å²	64	36%	0.364	33%	0.332	S	S	.	.	H	α-helix	trans	-61	-27.9	176.1	-72.2	-69.7	117.3	0	0	113.1	Y43 D45 V50 K51	Y43-E48 HydrophobicContact CD1-CB 4.02Å; Y43-E48 HydrophobicContact CE1-CB 4.36Å; Y43-E48 WeakPolarHBondContact CE1-O 3.35Å; D45-E48 HydrophobicContact CB-CB 4.13Å; D45-E48 HydrophobicContact CB-CG 4Å; D45-E48 PolarHBondContact O-N 2.92Å; E48-V50 VanDerWaalsContact C-N 3.33Å; E48-K51 WeakPolarHBondContact OE1-CD 3.47Å; E48-K51 IonicContact OE1-NZ 2.74Å; E48-K51 PolarHBondContact OE1-NZ 2.89Å; E48-K51 VanDerWaalsContact OE2-CE 3.29Å; E48-K51 WeakPolarHBondContact OE2-CE 3.39Å; E48-K51 IonicContact OE2-NZ 3.14Å; E48-K51 PolarHBondContact OE2-NZ 2.78Å
49	A	98.1	Very high	97.5	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-75.8	-19.4	177.9	0	0	0	0	0	113.5	Y43 D45 P46 V47 L73 V242 R268	Y43-A49 HydrophobicContact CD1-CB 4.14Å; Y43-A49 HydrophobicContact CD2-CB 4.3Å; Y43-A49 HydrophobicContact CG-CB 3.93Å; D45-A49 PolarHBondContact O-N 3.47Å; P46-A49 WeakPolarHBondContact O-CB 3.13Å; P46-A49 PolarHBondContact O-N 3.46Å; V47-A49 PolarHBondContact O-N 2.69Å; A49-L73 HydrophobicContact CB-CD2 4.47Å; A49-V242 HydrophobicContact CB-CG1 3.89Å; A49-R268 WeakPolarHBondContact O-CD 3.24Å; A49-R268 PolarHBondContact O-NH1 3.43Å
50	V	98.6	Very high	98.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-126.9	0.2	-175.4	-55.6	0	0	0	0	114.6	P46 V47 E48 D52 I53 L73 A76 L77 T80 L209 V242	P46-V50 PolarHBondContact O-N 3.1Å; V47-V50 CarbonylContact O-C 3.6Å; V47-V50 PolarHBondContact O-N 3.41Å; V47-V50 VanDerWaalsContact O-N 3.07Å; E48-V50 VanDerWaalsContact C-N 3.33Å; V50-D52 PolarHBondContact O-N 2.9Å; V50-D52 VanDerWaalsContact O-N 3.13Å; V50-I53 HydrophobicContact CB-CD1 3.89Å; V50-I53 HydrophobicContact CB-CG1 4.41Å; V50-I53 HydrophobicContact CG1-CD1 4.32Å; V50-I53 WeakPolarHBondContact O-CB 3.36Å; V50-I53 VanDerWaalsContact O-CG1 3.3Å; V50-I53 WeakPolarHBondContact O-CG1 3.42Å; V50-I53 PolarHBondContact O-N 3.48Å; V50-I53 VanDerWaalsContact O-N 3.17Å; V50-L73 HydrophobicContact CG1-CD2 3.79Å; V50-A76 HydrophobicContact CG2-CB 3.72Å; V50-L77 HydrophobicContact CB-CD1 4.38Å; V50-L77 HydrophobicContact CG2-CD1 4.31Å; V50-T80 HydrophobicContact CG2-CG2 4.09Å; V50-L209 HydrophobicContact CG1-CD2 3.94Å; V50-V242 HydrophobicContact CG1-CG1 4.44Å
51	K	98.1	Very high	98.4	Very high	119 Å²	119	50.9 Å²	50.9	52%	0.517	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-20	-173	65.3	175.9	178.6	-176.1	0	115.6	V47 E48	V47-K51 VanDerWaalsContact O-CB 3.32Å; V47-K51 WeakPolarHBondContact O-CB 3.32Å; V47-K51 PolarHBondContact O-N 2.84Å; E48-K51 WeakPolarHBondContact OE1-CD 3.47Å; E48-K51 IonicContact OE1-NZ 2.74Å; E48-K51 PolarHBondContact OE1-NZ 2.89Å; E48-K51 VanDerWaalsContact OE2-CE 3.29Å; E48-K51 WeakPolarHBondContact OE2-CE 3.39Å; E48-K51 IonicContact OE2-NZ 3.14Å; E48-K51 PolarHBondContact OE2-NZ 2.78Å
52	D	98.4	Very high	98.4	Very high	82 Å²	82	45.3 Å²	45.3	44%	0.439	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	6.4	-178.1	65.9	-31.8	0	0	0	113	V50 P54 R268	V50-D52 PolarHBondContact O-N 2.9Å; V50-D52 VanDerWaalsContact O-N 3.13Å; D52-P54 WeakPolarHBondContact O-CD 3.44Å; D52-R268 IonicContact OD1-CZ 3.09Å; D52-R268 IonicContact OD1-NH1 2.91Å; D52-R268 PolarHBondContact OD1-NH1 3.23Å; D52-R268 IonicContact OD1-NH2 2.68Å; D52-R268 PolarHBondContact OD1-NH2 3.3Å; D52-R268 IonicContact OD2-CZ 3.64Å; D52-R268 IonicContact OD2-NH1 2.77Å; D52-R268 PolarHBondContact OD2-NH1 3.03Å; D52-R268 IonicContact OD2-NH2 2.81Å; D52-R268 PolarHBondContact OD2-NH2 2.79Å
53	I	98.8	Very high	98.5	Very high	9 Å²	9	41.5 Å²	41.5	5%	0.046	24%	0.236	C	C	.	.			trans	-66.7	114.4	168.5	-61.5	-176.9	0	0	0	107.9	V50 A57 V59 L77 V82 L85 F207 L209	V50-I53 HydrophobicContact CB-CD1 3.89Å; V50-I53 HydrophobicContact CB-CG1 4.41Å; V50-I53 HydrophobicContact CG1-CD1 4.32Å; V50-I53 WeakPolarHBondContact O-CB 3.36Å; V50-I53 VanDerWaalsContact O-CG1 3.3Å; V50-I53 WeakPolarHBondContact O-CG1 3.42Å; V50-I53 PolarHBondContact O-N 3.48Å; V50-I53 VanDerWaalsContact O-N 3.17Å; I53-A57 HydrophobicContact CG2-CB 3.77Å; I53-V59 HydrophobicContact CG2-CG2 4.08Å; I53-L77 HydrophobicContact CB-CD1 4.28Å; I53-L77 HydrophobicContact CD1-CD1 3.8Å; I53-L77 HydrophobicContact CG2-CD1 4.41Å; I53-V82 HydrophobicContact CG2-CG2 4.41Å; I53-V82 WeakPolarHBondContact O-CG2 3.16Å; I53-L85 HydrophobicContact CG2-CD2 4.22Å; I53-F207 HydrophobicContact CB-CD2 4.38Å; I53-F207 HydrophobicContact CB-CE2 4.33Å; I53-F207 HydrophobicContact CD1-CB 4.06Å; I53-F207 HydrophobicContact CD1-CD1 3.95Å; I53-F207 HydrophobicContact CD1-CD2 4.39Å; I53-F207 HydrophobicContact CD1-CE1 4.48Å; I53-F207 HydrophobicContact CD1-CG 3.89Å; I53-F207 HydrophobicContact CG1-CB 4.34Å; I53-F207 HydrophobicContact CG1-CD1 3.63Å; I53-F207 HydrophobicContact CG1-CD2 3.75Å; I53-F207 HydrophobicContact CG1-CE1 3.72Å; I53-F207 HydrophobicContact CG1-CE2 3.87Å; I53-F207 HydrophobicContact CG1-CG 3.64Å; I53-F207 HydrophobicContact CG1-CZ 3.84Å; I53-F207 HydrophobicContact CG2-CD2 4.31Å; I53-L209 HydrophobicContact CD1-CD2 4.32Å
54	P	98.6	Very high	98.5	Very high	71 Å²	71	39.8 Å²	39.8	46%	0.461	23%	0.229	S	C	.	.			trans	-78	160.8	-177.6	32.6	-34.8	0	0	0	111.7	D52 G56 A57 V82	D52-P54 WeakPolarHBondContact O-CD 3.44Å; P54-G56 PolarHBondContact O-N 2.86Å; P54-A57 HydrophobicContact CG-CB 4.15Å; P54-A57 VanDerWaalsContact O-CB 3.27Å; P54-A57 WeakPolarHBondContact O-CB 3.21Å; P54-A57 PolarHBondContact O-N 2.62Å; P54-V82 WeakPolarHBondContact O-CG2 3.17Å
55	D	98.8	Very high	98.4	Very high	114 Å²	114	33.2 Å²	33.2	61%	0.61	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	139.9	167.3	-75.6	-9.4	0	0	0	110.3	A57 V82 K83	D55-A57 VanDerWaalsContact C-N 3.3Å; D55-A57 PolarHBondContact O-N 2.92Å; D55-V82 WeakPolarHBondContact OD1-CA 3.4Å; D55-V82 WeakPolarHBondContact OD1-CG2 3.35Å; D55-K83 CarbonylContact C-O 3.6Å; D55-K83 WeakPolarHBondContact CA-O 3.47Å; D55-K83 WeakPolarHBondContact CB-O 3.32Å; D55-K83 PolarHBondContact OD1-N 3.46Å
56	G	98.7	Very high	98.4	Very high	45 Å²	45	30.6 Å²	30.6	46%	0.464	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.5	-1.7	-179.3	0	0	0	0	0	115.6	P54 K83 G84	P54-G56 PolarHBondContact O-N 2.86Å; G56-K83 PolarHBondContact N-O 2.9Å; G56-G84 WeakPolarHBondContact CA-O 3.33Å
57	A	98.9	Very high	98.5	Very high	2 Å²	2	29.9 Å²	29.9	2%	0.017	17%	0.171	C	C	.	.			trans	-60.1	148.2	-179.3	0	0	0	0	0	113.3	I53 P54 D55 V59 L85 T86 D206	I53-A57 HydrophobicContact CG2-CB 3.77Å; P54-A57 HydrophobicContact CG-CB 4.15Å; P54-A57 VanDerWaalsContact O-CB 3.27Å; P54-A57 WeakPolarHBondContact O-CB 3.21Å; P54-A57 PolarHBondContact O-N 2.62Å; D55-A57 VanDerWaalsContact C-N 3.3Å; D55-A57 PolarHBondContact O-N 2.92Å; A57-V59 HydrophobicContact CB-CG2 4.18Å; A57-L85 HydrophobicContact CB-CD2 4.13Å; A57-L85 WeakPolarHBondContact O-CA 3.41Å; A57-T86 PolarHBondContact O-N 3.12Å; A57-D206 WeakPolarHBondContact CA-OD2 3.48Å; A57-D206 HydrophobicContact CB-CB 4.44Å
58	T	98.9	Very high	98.5	Very high	37 Å²	37	28.4 Å²	28.4	23%	0.227	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	117.2	165.9	-58.2	0	0	0	0	109.4	T86 V88 G205 D206 F207	T58-T86 CarbonylContact C-O 3.51Å; T58-T86 VanDerWaalsContact CA-O 3.29Å; T58-T86 WeakPolarHBondContact CA-O 3.38Å; T58-T86 HydrophobicContact CG2-CG2 4.3Å; T58-V88 HydrophobicContact CG2-CG2 3.93Å; T58-G205 CarbonylContact O-C 3.53Å; T58-D206 PolarHBondContact N-OD2 3.14Å; T58-D206 PolarHBondContact O-N 2.81Å; T58-F207 PolarHBondContact O-N 2.95Å
59	V	98.9	Very high	98.5	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	117.8	-175.4	-171.9	0	0	0	0	109.7	I53 A57 V61 L85 T86 A87 V88 F207 L209	I53-V59 HydrophobicContact CG2-CG2 4.08Å; A57-V59 HydrophobicContact CB-CG2 4.18Å; V59-V61 HydrophobicContact CG1-CG2 3.86Å; V59-L85 HydrophobicContact CG2-CD2 4.04Å; V59-T86 PolarHBondContact N-O 2.76Å; V59-A87 WeakPolarHBondContact O-CA 3.46Å; V59-V88 PolarHBondContact O-N 3.18Å; V59-F207 CarbonylContact C-O 3.49Å; V59-F207 WeakPolarHBondContact CA-O 3.34Å; V59-F207 HydrophobicContact CG1-CB 4.39Å; V59-L209 HydrophobicContact CG1-CD1 4.04Å; V59-L209 HydrophobicContact CG1-CG 3.81Å
60	L	98.9	Very high	98.5	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	130.2	170.4	-46.2	-173.6	0	0	0	108.7	V88 I145 I203 F207 A208 L209 M234 A237 A238	L60-V88 WeakPolarHBondContact CA-O 3.26Å; L60-V88 HydrophobicContact CD2-CB 3.53Å; L60-V88 HydrophobicContact CD2-CG1 3.97Å; L60-V88 HydrophobicContact CD2-CG2 3.73Å; L60-I145 HydrophobicContact CD1-CG2 4.29Å; L60-I203 HydrophobicContact CD2-CG2 4.04Å; L60-F207 PolarHBondContact N-O 2.87Å; L60-A208 HydrophobicContact CB-CB 4.04Å; L60-A208 HydrophobicContact CD1-CB 4.45Å; L60-A208 CarbonylContact O-C 3.59Å; L60-A208 WeakPolarHBondContact O-CA 3.47Å; L60-L209 PolarHBondContact O-N 2.86Å; L60-M234 HydrophobicContact CB-CB 4.14Å; L60-M234 HydrophobicContact CB-CG 3.96Å; L60-M234 HydrophobicContact CB-SD 4.05Å; L60-M234 HydrophobicContact CD1-CB 4.29Å; L60-M234 HydrophobicContact CD1-CG 4.26Å; L60-A237 HydrophobicContact CD1-CB 3.76Å; L60-A237 WeakPolarHBondContact CD1-O 3.41Å; L60-A238 HydrophobicContact CD1-CB 4.4Å
61	V	98.9	Very high	98.5	Very high	4 Å²	4	26.3 Å²	26.3	2%	0.024	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	114.1	-178.6	-174.2	0	0	0	0	109.8	V59 P70 I74 V88 S89 L99 L209 M234	V59-V61 HydrophobicContact CG1-CG2 3.86Å; V61-P70 HydrophobicContact CG1-CG 3.75Å; V61-I74 HydrophobicContact CG1-CD1 4.12Å; V61-I74 HydrophobicContact CG1-CG1 4.4Å; V61-V88 PolarHBondContact N-O 3.35Å; V61-S89 WeakPolarHBondContact O-CB 3.45Å; V61-S89 PolarHBondContact O-OG 2.87Å; V61-L99 HydrophobicContact CB-CD1 4.14Å; V61-L99 HydrophobicContact CB-CD2 4.35Å; V61-L99 HydrophobicContact CG1-CD1 4.26Å; V61-L99 HydrophobicContact CG1-CD2 4.06Å; V61-L99 HydrophobicContact CG1-CG 4.22Å; V61-L99 HydrophobicContact CG2-CD2 4.13Å; V61-L209 HydrophobicContact CG2-CB 4.46Å; V61-L209 HydrophobicContact CG2-CD1 4.48Å; V61-M234 VanDerWaalsContact O-SD 3.42Å
62	G	98.7	Very high	98.5	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.01	13%	0.134	C	C	.	.			trans	-70.6	170.1	-176.6	0	0	0	0	0	114.2	P70 L209 N231 M234	G62-P70 WeakPolarHBondContact O-CD 3.27Å; G62-L209 PolarHBondContact N-O 3.07Å; G62-N231 WeakPolarHBondContact CA-OD1 3.19Å; G62-M234 VanDerWaalsContact CA-SD 3.54Å; G62-M234 PolarHBondContact N-SD 3.01Å; G62-M234 VanDerWaalsContact N-SD 3.4Å
63	G	98.4	Very high	98.5	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.01	11%	0.113	C	C	.	.			trans	115.6	166.5	-179.1	0	0	0	0	0	114.2	C67 G68 N229 N231	G63-C67 WeakPolarHBondContact CA-O 3.05Å; G63-G68 VanDerWaalsContact CA-O 3.27Å; G63-G68 WeakPolarHBondContact CA-O 3.28Å; G63-G68 PolarHBondContact N-O 3.08Å; G63-N229 VanDerWaalsContact C-OD1 3.3Å; G63-N229 WeakPolarHBondContact CA-OD1 3.15Å; G63-N229 PolarHBondContact N-OD1 3.44Å; G63-N231 PolarHBondContact N-ND2 3.34Å
64	F	98.4	Very high	98.5	Very high	1 Å²	1	17.4 Å²	17.4	0%	0.004	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-138.3	111.1	174.6	-178.7	-92	0	0	0	109.3	L66 C67 N90 Q138 N229 N345 I364 A366 K368	F64-L66 PolarHBondContact O-N 2.92Å; F64-C67 PolarHBondContact N-O 3.27Å; F64-C67 WeakPolarHBondContact O-CB 3.48Å; F64-C67 PolarHBondContact O-N 3.45Å; F64-N90 WeakPolarHBondContact CD2-ND2 3.31Å; F64-N90 WeakPolarHBondContact CE2-ND2 3.45Å; F64-Q138 VanDerWaalsContact CE2-NE2 3.34Å; F64-N229 HydrophobicContact CB-CB 3.98Å; F64-N229 PolarHBondContact N-ND2 2.95Å; F64-N345 HydrophobicContact CB-CB 4.41Å; F64-N345 HydrophobicContact CD1-CB 3.49Å; F64-N345 VanDerWaalsContact CD1-CB 3.49Å; F64-N345 HydrophobicContact CD2-CB 3.84Å; F64-N345 HydrophobicContact CE1-CB 3.52Å; F64-N345 HydrophobicContact CE2-CB 3.91Å; F64-N345 HydrophobicContact CG-CB 3.65Å; F64-N345 HydrophobicContact CZ-CB 3.75Å; F64-I364 HydrophobicContact CD1-CD1 3.88Å; F64-I364 HydrophobicContact CE1-CD1 4.39Å; F64-A366 WeakPolarHBondContact CZ-O 3.43Å; F64-K368 HydrophobicContact CD1-CD 3.71Å; F64-K368 VanDerWaalsContact CD1-CE 3.48Å; F64-K368 HydrophobicContact CE1-CD 3.46Å; F64-K368 VanDerWaalsContact CE1-CD 3.46Å; F64-K368 HydrophobicContact CZ-CD 4.32Å
65	G	96.8	Very high	98.5	Very high	6 Å²	6	17 Å²	17	6%	0.062	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.4	-121.6	-160.7	0	0	0	0	0	110	I69 N91	G65-I69 WeakPolarHBondContact O-CG2 3.44Å; G65-N91 PolarHBondContact N-OD1 3.31Å; G65-N91 VanDerWaalsContact N-OD1 3.12Å
66	L	97.6	Very high	98.5	Very high	13 Å²	13	11.6 Å²	11.6	7%	0.068	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	-6	172.7	-54.2	-175.2	0	0	0	114.1	F64 G68 I69 V94 F97 R278 E280	F64-L66 PolarHBondContact O-N 2.92Å; L66-G68 PolarHBondContact O-N 3.46Å; L66-I69 HydrophobicContact CD2-CD1 4.19Å; L66-V94 HydrophobicContact CD1-CG1 4.37Å; L66-V94 HydrophobicContact CD1-CG2 4.16Å; L66-V94 HydrophobicContact CD2-CG1 4.43Å; L66-V94 HydrophobicContact CD2-CG2 4.28Å; L66-F97 HydrophobicContact CD1-CD1 4.02Å; L66-F97 HydrophobicContact CD2-CB 4.44Å; L66-F97 HydrophobicContact CD2-CD1 3.98Å; L66-F97 HydrophobicContact CG-CD1 4.43Å; L66-R278 HydrophobicContact CD1-CB 4.14Å; L66-R278 HydrophobicContact CD1-CG 3.96Å; L66-E280 HydrophobicContact CD1-CB 4.08Å; L66-E280 HydrophobicContact CD1-CG 4.47Å; L66-E280 HydrophobicContact CG-CB 4.23Å
67	C	98.5	Very high	98.5	Very high	6 Å²	6	9.6 Å²	9.6	4%	0.041	6%	0.056	C	C	.	.	B	Isolated β-bridge	trans	-78	117.9	-177.8	179.5	0	0	0	0	111.1	G63 F64 S226 A227 N229 A361 I364	G63-C67 WeakPolarHBondContact CA-O 3.05Å; F64-C67 PolarHBondContact N-O 3.27Å; F64-C67 WeakPolarHBondContact O-CB 3.48Å; F64-C67 PolarHBondContact O-N 3.45Å; C67-S226 PolarHBondContact SG-OG 3.18Å; C67-A227 VanDerWaalsContact SG-CA 3.54Å; C67-N229 PolarHBondContact O-ND2 3.02Å; C67-N229 VanDerWaalsContact O-ND2 3.09Å; C67-A361 PolarHBondContact SG-O 3.39Å; C67-A361 VanDerWaalsContact SG-O 3.39Å; C67-I364 HydrophobicContact CB-CD1 3.42Å; C67-I364 VanDerWaalsContact CB-CD1 3.42Å; C67-I364 HydrophobicContact CB-CG1 3.76Å
68	G	98.4	Very high	98.4	Very high	6 Å²	6	12.4 Å²	12.4	6%	0.062	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	32.9	179.9	0	0	0	0	0	113.9	G63 L66 K211 N231	G63-G68 VanDerWaalsContact CA-O 3.27Å; G63-G68 WeakPolarHBondContact CA-O 3.28Å; G63-G68 PolarHBondContact N-O 3.08Å; L66-G68 PolarHBondContact O-N 3.46Å; G68-K211 WeakPolarHBondContact O-CB 3.17Å; G68-N231 PolarHBondContact O-ND2 3.08Å; G68-N231 PolarHBondContact O-OD1 2.72Å
69	I	98.5	Very high	98.4	Very high	14 Å²	14	18.1 Å²	18.1	7%	0.072	9%	0.092	C	C	.	.			trans	-80.6	147.4	171.2	64.3	174.5	0	0	0	111	G65 L66 E71 F97 K211	G65-I69 WeakPolarHBondContact O-CG2 3.44Å; L66-I69 HydrophobicContact CD2-CD1 4.19Å; I69-E71 VanDerWaalsContact C-N 3.32Å; I69-E71 HydrophobicContact CG1-CB 4.49Å; I69-E71 PolarHBondContact O-N 3.21Å; I69-F97 HydrophobicContact CD1-CD1 3.71Å; I69-F97 HydrophobicContact CD1-CE1 3.63Å; I69-F97 HydrophobicContact CD1-CZ 4.48Å; I69-K211 WeakPolarHBondContact O-CB 3.5Å; I69-K211 WeakPolarHBondContact O-CG 3.34Å
70	P	98.4	Very high	98.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.106	C	C	.	.			trans	-82.9	71.7	176.5	34.1	-36.2	0	0	0	111.8	V61 G62 N72 L73 I74 L209 K211 E244	V61-P70 HydrophobicContact CG1-CG 3.75Å; G62-P70 WeakPolarHBondContact O-CD 3.27Å; P70-N72 PolarHBondContact O-N 3.41Å; P70-L73 HydrophobicContact CB-CB 4.25Å; P70-L73 HydrophobicContact CB-CD1 4.22Å; P70-L73 PolarHBondContact O-N 2.83Å; P70-I74 HydrophobicContact CG-CD1 4.06Å; P70-I74 HydrophobicContact CG-CG1 4.21Å; P70-I74 WeakPolarHBondContact O-CB 3.5Å; P70-I74 VanDerWaalsContact O-CG1 3.25Å; P70-I74 WeakPolarHBondContact O-CG1 3.38Å; P70-I74 PolarHBondContact O-N 3.34Å; P70-L209 HydrophobicContact CB-CB 4.44Å; P70-L209 HydrophobicContact CG-CB 3.97Å; P70-K211 HydrophobicContact CB-CB 4.2Å; P70-E244 VanDerWaalsContact C-CD 3.45Å; P70-E244 WeakPolarHBondContact CA-OE1 3.33Å; P70-E244 HydrophobicContact CB-CG 3.93Å
71	E	98.1	Very high	98.3	Very high	21 Å²	21	21.9 Å²	21.9	10%	0.098	12%	0.121	C	C	.	.	H	α-helix	trans	-59.5	-38.1	-170.6	62.2	178	-108.2	0	0	113.9	I69 D75 F97 E244 Y275 E276	I69-E71 VanDerWaalsContact C-N 3.32Å; I69-E71 HydrophobicContact CG1-CB 4.49Å; I69-E71 PolarHBondContact O-N 3.21Å; E71-D75 WeakPolarHBondContact O-CB 3.39Å; E71-D75 PolarHBondContact O-N 3.1Å; E71-F97 HydrophobicContact CB-CZ 4.23Å; E71-E244 PolarHBondContact N-OE1 3.46Å; E71-Y275 HydrophobicContact CG-CD1 3.93Å; E71-Y275 HydrophobicContact CG-CE1 4.28Å; E71-Y275 WeakPolarHBondContact OE1-CA 3.3Å; E71-E276 PolarHBondContact OE1-N 2.82Å; E71-E276 PolarHBondContact OE2-N 3.22Å
72	N	98.6	Very high	98.3	Very high	19 Å²	19	22 Å²	22	10%	0.102	12%	0.122	C	C	.	.	H	α-helix	trans	-74.1	-39.4	-178.2	-63	-103.6	0	0	0	111.1	P46 P70 D75 A76 E244 E273 K274 Y275	P46-N72 HydrophobicContact CG-CB 4.34Å; P70-N72 PolarHBondContact O-N 3.41Å; N72-D75 PolarHBondContact O-N 2.89Å; N72-A76 WeakPolarHBondContact O-CB 3.5Å; N72-A76 PolarHBondContact O-N 3.38Å; N72-E244 WeakPolarHBondContact CA-OE2 3.45Å; N72-E244 VanDerWaalsContact CB-OE2 3.25Å; N72-E244 WeakPolarHBondContact CB-OE2 3.46Å; N72-E244 PolarHBondContact N-OE1 3.49Å; N72-E244 PolarHBondContact N-OE2 3.49Å; N72-E273 PolarHBondContact OD1-N 2.78Å; N72-K274 PolarHBondContact ND2-O 2.9Å; N72-K274 PolarHBondContact OD1-N 2.68Å; N72-K274 PolarHBondContact OD1-O 3.18Å; N72-Y275 WeakPolarHBondContact ND2-CE1 3.41Å
73	L	98.7	Very high	98.3	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.3	-35	176.1	-66	172.7	0	0	0	111.9	A49 V50 P70 A76 L77 L209 V242 E244 I270	A49-L73 HydrophobicContact CB-CD2 4.47Å; V50-L73 HydrophobicContact CG1-CD2 3.79Å; P70-L73 HydrophobicContact CB-CB 4.25Å; P70-L73 HydrophobicContact CB-CD1 4.22Å; P70-L73 PolarHBondContact O-N 2.83Å; L73-A76 WeakPolarHBondContact O-CB 3.36Å; L73-A76 PolarHBondContact O-N 3.11Å; L73-L77 WeakPolarHBondContact O-CB 3.49Å; L73-L77 PolarHBondContact O-N 3.42Å; L73-L209 HydrophobicContact CB-CB 4.48Å; L73-L209 HydrophobicContact CB-CD1 4.3Å; L73-L209 HydrophobicContact CB-CD2 4.44Å; L73-L209 HydrophobicContact CD1-CB 4.3Å; L73-L209 HydrophobicContact CD1-CD2 4.32Å; L73-V242 HydrophobicContact CD1-CB 4.2Å; L73-V242 HydrophobicContact CD1-CG1 3.86Å; L73-V242 WeakPolarHBondContact CD1-O 3.44Å; L73-V242 HydrophobicContact CD2-CG1 3.62Å; L73-V242 HydrophobicContact CG-CG1 4.42Å; L73-E244 HydrophobicContact CD1-CB 3.96Å; L73-E244 HydrophobicContact CD1-CG 3.97Å; L73-E244 HydrophobicContact CG-CB 4.1Å; L73-E244 HydrophobicContact CG-CG 4.22Å; L73-E244 WeakPolarHBondContact CG-OE2 3.25Å; L73-E244 PolarHBondContact N-OE2 3.33Å; L73-I270 HydrophobicContact CD2-CG2 4.08Å
74	I	98.6	Very high	98.3	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.015	15%	0.151	C	C	.	.	H	α-helix	trans	-64.7	-46.8	172.8	-70.2	166.2	0	0	0	110.2	V61 P70 A76 L77 L78 L99 L101 L102	V61-I74 HydrophobicContact CG1-CD1 4.12Å; V61-I74 HydrophobicContact CG1-CG1 4.4Å; P70-I74 HydrophobicContact CG-CD1 4.06Å; P70-I74 HydrophobicContact CG-CG1 4.21Å; P70-I74 WeakPolarHBondContact O-CB 3.5Å; P70-I74 VanDerWaalsContact O-CG1 3.25Å; P70-I74 WeakPolarHBondContact O-CG1 3.38Å; P70-I74 PolarHBondContact O-N 3.34Å; I74-A76 VanDerWaalsContact C-N 3.26Å; I74-A76 PolarHBondContact O-N 3.49Å; I74-L77 PolarHBondContact O-N 3.49Å; I74-L78 PolarHBondContact O-N 2.99Å; I74-L99 HydrophobicContact CD1-CD2 4.43Å; I74-L99 HydrophobicContact CG1-CD2 4.45Å; I74-L101 HydrophobicContact CG2-CD1 4.45Å; I74-L102 HydrophobicContact CG2-CD1 4.42Å; I74-L102 HydrophobicContact CG2-CG 4.25Å
75	D	98.3	Very high	98.3	Very high	63 Å²	63	27.2 Å²	27.2	34%	0.337	15%	0.152	S	C	.	.	H	α-helix	trans	-62.6	-34.4	175.4	-82	-7.5	0	0	0	112.2	E71 N72 L78 K79 L101	E71-D75 WeakPolarHBondContact O-CB 3.39Å; E71-D75 PolarHBondContact O-N 3.1Å; N72-D75 PolarHBondContact O-N 2.89Å; D75-L78 WeakPolarHBondContact O-CB 3.34Å; D75-K79 WeakPolarHBondContact O-CG 3.47Å; D75-K79 PolarHBondContact O-N 2.89Å; D75-L101 WeakPolarHBondContact OD1-CD1 3.38Å
76	A	98.5	Very high	98.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	16%	0.156	C	C	.	.	H	α-helix	trans	-64.3	-47	173.6	0	0	0	0	0	111.5	P46 V47 V50 N72 L73 I74 L78 K79 T80	P46-A76 HydrophobicContact CB-CB 3.61Å; V47-A76 HydrophobicContact CG2-CB 4.15Å; V50-A76 HydrophobicContact CG2-CB 3.72Å; N72-A76 WeakPolarHBondContact O-CB 3.5Å; N72-A76 PolarHBondContact O-N 3.38Å; L73-A76 WeakPolarHBondContact O-CB 3.36Å; L73-A76 PolarHBondContact O-N 3.11Å; I74-A76 VanDerWaalsContact C-N 3.26Å; I74-A76 PolarHBondContact O-N 3.49Å; A76-L78 VanDerWaalsContact C-N 3.29Å; A76-L78 PolarHBondContact O-N 2.8Å; A76-K79 WeakPolarHBondContact O-CB 3.33Å; A76-K79 PolarHBondContact O-N 2.75Å; A76-T80 WeakPolarHBondContact O-CG2 3.46Å; A76-T80 PolarHBondContact O-N 3.38Å; A76-T80 VanDerWaalsContact O-N 3.07Å
77	L	98.3	Very high	98.5	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-65.6	-32.9	178.5	-159.9	64.6	0	0	0	112.3	V50 I53 L73 I74 K79 T80 G81 V82 L85 L102 Q107 L209	V50-L77 HydrophobicContact CB-CD1 4.38Å; V50-L77 HydrophobicContact CG2-CD1 4.31Å; I53-L77 HydrophobicContact CB-CD1 4.28Å; I53-L77 HydrophobicContact CD1-CD1 3.8Å; I53-L77 HydrophobicContact CG2-CD1 4.41Å; L73-L77 WeakPolarHBondContact O-CB 3.49Å; L73-L77 PolarHBondContact O-N 3.42Å; I74-L77 PolarHBondContact O-N 3.49Å; L77-K79 VanDerWaalsContact C-N 3.29Å; L77-K79 PolarHBondContact O-N 3.39Å; L77-T80 PolarHBondContact O-N 3.13Å; L77-T80 PolarHBondContact O-OG1 2.88Å; L77-G81 PolarHBondContact O-N 3.11Å; L77-V82 HydrophobicContact CD1-CG1 3.49Å; L77-V82 VanDerWaalsContact CD1-CG1 3.49Å; L77-V82 HydrophobicContact CD2-CG1 4.4Å; L77-V82 HydrophobicContact CG-CG1 3.71Å; L77-L85 HydrophobicContact CD2-CD1 3.76Å; L77-L85 HydrophobicContact CG-CD1 4.47Å; L77-L102 HydrophobicContact CD2-CD1 3.89Å; L77-Q107 PolarHBondContact O-NE2 3.4Å; L77-L209 HydrophobicContact CD2-CD1 4.1Å
78	L	98.5	Very high	98.5	Very high	61 Å²	61	27.4 Å²	27.4	32%	0.319	15%	0.152	S	C	.	.	H	α-helix	trans	-59.5	-41.7	170.7	178.4	64.5	0	0	0	111.1	I74 D75 A76 G81 L101 L102 Q107	I74-L78 PolarHBondContact O-N 2.99Å; D75-L78 WeakPolarHBondContact O-CB 3.34Å; A76-L78 VanDerWaalsContact C-N 3.29Å; A76-L78 PolarHBondContact O-N 2.8Å; L78-G81 PolarHBondContact O-N 3.45Å; L78-L101 HydrophobicContact CD2-CB 4.36Å; L78-L102 HydrophobicContact CB-CD2 3.83Å; L78-L102 HydrophobicContact CD1-CD2 4.21Å; L78-Q107 PolarHBondContact O-OE1 3.15Å
79	K	98.4	Very high	98.5	Very high	158 Å²	158	27.3 Å²	27.3	69%	0.687	15%	0.151	S	C	*	.	H	α-helix	trans	-72.2	-32.1	179.4	-67	165.4	-172.7	171.3	0	113.4	V47 D75 A76 L77 G81	V47-K79 HydrophobicContact CG2-CB 4.42Å; V47-K79 HydrophobicContact CG2-CD 4.08Å; D75-K79 WeakPolarHBondContact O-CG 3.47Å; D75-K79 PolarHBondContact O-N 2.89Å; A76-K79 WeakPolarHBondContact O-CB 3.33Å; A76-K79 PolarHBondContact O-N 2.75Å; L77-K79 VanDerWaalsContact C-N 3.29Å; L77-K79 PolarHBondContact O-N 3.39Å; K79-G81 PolarHBondContact O-N 3.18Å
80	T	98.3	Very high	98.5	Very high	49 Å²	49	26.7 Å²	26.7	30%	0.301	15%	0.148	S	C	.	.	H	α-helix	trans	-66.7	-27.2	176.3	68.8	0	0	0	0	111.9	V47 V50 A76 L77 V82	V47-T80 HydrophobicContact CG1-CG2 4.27Å; V50-T80 HydrophobicContact CG2-CG2 4.09Å; A76-T80 WeakPolarHBondContact O-CG2 3.46Å; A76-T80 PolarHBondContact O-N 3.38Å; A76-T80 VanDerWaalsContact O-N 3.07Å; L77-T80 PolarHBondContact O-N 3.13Å; L77-T80 PolarHBondContact O-OG1 2.88Å; T80-V82 PolarHBondContact O-N 3.44Å; T80-V82 PolarHBondContact OG1-N 2.89Å
81	G	97.9	Very high	98.4	Very high	31 Å²	31	27.3 Å²	27.3	32%	0.32	15%	0.151	S	C	.	.			trans	74.7	9.7	179.1	0	0	0	0	0	114.6	L77 L78 K79 K83	L77-G81 PolarHBondContact O-N 3.11Å; L78-G81 PolarHBondContact O-N 3.45Å; K79-G81 PolarHBondContact O-N 3.18Å; G81-K83 WeakPolarHBondContact O-CE 3.39Å; G81-K83 WeakPolarHBondContact O-CG 3.23Å
82	V	98.4	Very high	98.3	Very high	7 Å²	7	26.3 Å²	26.3	4%	0.042	15%	0.146	C	C	.	.			trans	-51.1	138.3	178.7	66.3	0	0	0	0	111.6	I53 P54 D55 L77 T80 L85 Q107	I53-V82 HydrophobicContact CG2-CG2 4.41Å; I53-V82 WeakPolarHBondContact O-CG2 3.16Å; P54-V82 WeakPolarHBondContact O-CG2 3.17Å; D55-V82 WeakPolarHBondContact OD1-CA 3.4Å; D55-V82 WeakPolarHBondContact OD1-CG2 3.35Å; L77-V82 HydrophobicContact CD1-CG1 3.49Å; L77-V82 VanDerWaalsContact CD1-CG1 3.49Å; L77-V82 HydrophobicContact CD2-CG1 4.4Å; L77-V82 HydrophobicContact CG-CG1 3.71Å; T80-V82 PolarHBondContact O-N 3.44Å; T80-V82 PolarHBondContact OG1-N 2.89Å; V82-L85 HydrophobicContact CG1-CD1 3.95Å; V82-L85 HydrophobicContact CG1-CD2 4.12Å; V82-L85 HydrophobicContact CG1-CG 4.26Å; V82-L85 HydrophobicContact CG2-CD2 3.9Å; V82-Q107 WeakPolarHBondContact O-CB 3.46Å; V82-Q107 WeakPolarHBondContact O-CG 3.47Å; V82-Q107 PolarHBondContact O-NE2 2.82Å
83	K	98.4	Very high	98.1	Very high	84 Å²	84	25.8 Å²	25.8	37%	0.365	15%	0.145	S	C	.	.			trans	-120.6	164.6	-172.6	-62.1	-60	178.4	-172.4	0	112.7	D55 G56 G81 L85 S105 N106 Q107	D55-K83 CarbonylContact C-O 3.6Å; D55-K83 WeakPolarHBondContact CA-O 3.47Å; D55-K83 WeakPolarHBondContact CB-O 3.32Å; D55-K83 PolarHBondContact OD1-N 3.46Å; G56-K83 PolarHBondContact N-O 2.9Å; G81-K83 WeakPolarHBondContact O-CE 3.39Å; G81-K83 WeakPolarHBondContact O-CG 3.23Å; K83-L85 VanDerWaalsContact C-N 3.28Å; K83-L85 PolarHBondContact O-N 2.77Å; K83-S105 PolarHBondContact NZ-O 3Å; K83-N106 WeakPolarHBondContact CD-O 3.33Å; K83-Q107 CarbonylContact C-O 3.52Å; K83-Q107 HydrophobicContact CD-CB 4.46Å; K83-Q107 HydrophobicContact CD-CG 3.91Å
84	G	98.6	Very high	98	Very high	26 Å²	26	26.8 Å²	26.8	27%	0.268	15%	0.151	S	C	.	.	S	Bend	trans	74.2	15.7	170.8	0	0	0	0	0	114.6	G56 Q107	G56-G84 WeakPolarHBondContact CA-O 3.33Å; G84-Q107 PolarHBondContact N-O 2.88Å
85	L	98.9	Very high	97.6	Very high	2 Å²	2	29.3 Å²	29.3	1%	0.01	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	143.7	-173.3	-61.1	176.6	0	0	0	112.4	I53 A57 V59 L77 V82 K83 Q107 K109 R110	I53-L85 HydrophobicContact CG2-CD2 4.22Å; A57-L85 HydrophobicContact CB-CD2 4.13Å; A57-L85 WeakPolarHBondContact O-CA 3.41Å; V59-L85 HydrophobicContact CG2-CD2 4.04Å; L77-L85 HydrophobicContact CD2-CD1 3.76Å; L77-L85 HydrophobicContact CG-CD1 4.47Å; V82-L85 HydrophobicContact CG1-CD1 3.95Å; V82-L85 HydrophobicContact CG1-CD2 4.12Å; V82-L85 HydrophobicContact CG1-CG 4.26Å; V82-L85 HydrophobicContact CG2-CD2 3.9Å; K83-L85 VanDerWaalsContact C-N 3.28Å; K83-L85 PolarHBondContact O-N 2.77Å; L85-Q107 PolarHBondContact N-O 2.79Å; L85-K109 PolarHBondContact O-N 2.79Å; L85-R110 PolarHBondContact O-N 2.94Å; L85-R110 VanDerWaalsContact O-N 3.08Å
86	T	98.9	Very high	97.5	Very high	25 Å²	25	30.5 Å²	30.5	15%	0.153	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	101	159.1	-60.4	0	0	0	0	108.2	A57 T58 V59 R110 I112	A57-T86 PolarHBondContact O-N 3.12Å; T58-T86 CarbonylContact C-O 3.51Å; T58-T86 VanDerWaalsContact CA-O 3.29Å; T58-T86 WeakPolarHBondContact CA-O 3.38Å; T58-T86 HydrophobicContact CG2-CG2 4.3Å; V59-T86 PolarHBondContact N-O 2.76Å; T86-R110 CarbonylContact C-O 3.56Å; T86-R110 WeakPolarHBondContact CA-O 3.27Å; T86-R110 HydrophobicContact CG2-CB 4.13Å; T86-R110 HydrophobicContact CG2-CG 4.05Å; T86-I112 HydrophobicContact CG2-CD1 4.2Å; T86-I112 HydrophobicContact CG2-CG1 4.28Å
87	A	98.8	Very high	97.4	Very high	3 Å²	3	31.2 Å²	31.2	3%	0.025	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	122.7	178.8	0	0	0	0	0	110.5	V59 I108 R110 M111 I112	V59-A87 WeakPolarHBondContact O-CA 3.46Å; A87-I108 HydrophobicContact CB-CD1 4.04Å; A87-I108 HydrophobicContact CB-CG1 4.32Å; A87-I108 HydrophobicContact CB-CG2 4.11Å; A87-R110 PolarHBondContact N-O 3.01Å; A87-M111 HydrophobicContact CB-SD 3.69Å; A87-M111 CarbonylContact O-C 3.57Å; A87-M111 WeakPolarHBondContact O-CA 3.24Å; A87-I112 PolarHBondContact O-N 3.47Å
88	V	98.9	Very high	97.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	107.7	173.4	-174.1	0	0	0	0	107.7	T58 V59 L60 V61 I112 L141 I145 I203 M234	T58-V88 HydrophobicContact CG2-CG2 3.93Å; V59-V88 PolarHBondContact O-N 3.18Å; L60-V88 WeakPolarHBondContact CA-O 3.26Å; L60-V88 HydrophobicContact CD2-CB 3.53Å; L60-V88 HydrophobicContact CD2-CG1 3.97Å; L60-V88 HydrophobicContact CD2-CG2 3.73Å; V61-V88 PolarHBondContact N-O 3.35Å; V88-I112 HydrophobicContact CG1-CB 4.3Å; V88-I112 HydrophobicContact CG2-CB 4.22Å; V88-I112 HydrophobicContact CG2-CD1 4.09Å; V88-I112 HydrophobicContact CG2-CG1 4.34Å; V88-L141 HydrophobicContact CG1-CD1 3.77Å; V88-I145 HydrophobicContact CG1-CD1 4.17Å; V88-I203 HydrophobicContact CG1-CD1 4.38Å; V88-I203 HydrophobicContact CG1-CG2 4.16Å; V88-I203 HydrophobicContact CG2-CG2 4.07Å; V88-M234 WeakPolarHBondContact O-CE 3.33Å
89	S	98.6	Very high	97.4	Very high	5 Å²	5	28.6 Å²	28.6	4%	0.035	16%	0.161	C	C	.	.			trans	-154.5	149.1	-178.7	-166.8	0	0	0	0	110.7	V61 N91 I112 S113	V61-S89 WeakPolarHBondContact O-CB 3.45Å; V61-S89 PolarHBondContact O-OG 2.87Å; S89-N91 VanDerWaalsContact C-N 3.25Å; S89-N91 PolarHBondContact O-N 2.85Å; S89-N91 PolarHBondContact OG-O 2.92Å; S89-I112 PolarHBondContact N-O 3.14Å; S89-S113 WeakPolarHBondContact O-CA 3.33Å; S89-S113 VanDerWaalsContact O-CB 3.23Å; S89-S113 WeakPolarHBondContact O-CB 3.42Å; S89-S113 PolarHBondContact O-OG 2.65Å
90	N	98.3	Very high	97.3	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	13%	0.129	C	C	.	.	S	Bend	trans	-58.1	-41.8	-178.8	-168.9	56	0	0	0	112.4	F64 S114 Y115 Q138 F230	F64-N90 WeakPolarHBondContact CD2-ND2 3.31Å; F64-N90 WeakPolarHBondContact CE2-ND2 3.45Å; N90-S114 PolarHBondContact O-N 3.19Å; N90-S114 PolarHBondContact O-OG 2.88Å; N90-S114 PolarHBondContact OD1-OG 2.97Å; N90-Y115 PolarHBondContact O-N 2.88Å; N90-Q138 VanDerWaalsContact OD1-CG 3.23Å; N90-Q138 WeakPolarHBondContact OD1-CG 3.49Å; N90-Q138 PolarHBondContact OD1-OE1 2.84Å; N90-F230 HydrophobicContact CB-CD2 3.7Å; N90-F230 HydrophobicContact CB-CE2 3.53Å; N90-F230 HydrophobicContact CB-CG 4.38Å; N90-F230 HydrophobicContact CB-CZ 4.07Å; N90-F230 VanDerWaalsContact CG-CE2 3.42Å; N90-F230 WeakPolarHBondContact OD1-CE2 3.35Å
91	N	96.3	Very high	97.3	Very high	12 Å²	12	20.3 Å²	20.3	6%	0.064	12%	0.123	C	C	.	.			trans	-141.5	167.1	-179.7	-53.1	110.6	0	0	0	109.6	G65 S89 Y115	G65-N91 PolarHBondContact N-OD1 3.31Å; G65-N91 VanDerWaalsContact N-OD1 3.12Å; S89-N91 VanDerWaalsContact C-N 3.25Å; S89-N91 PolarHBondContact O-N 2.85Å; S89-N91 PolarHBondContact OG-O 2.92Å; N91-Y115 WeakPolarHBondContact ND2-CB 3.31Å; N91-Y115 PolarHBondContact ND2-O 2.87Å
92	A	95.5	Very high	97.4	Very high	0 Å²	0	19 Å²	19	0%	0	11%	0.108	C	C	.	.			trans	-94.3	12.6	173.9	0	0	0	0	0	114.1	L99 G100 L103 M111 F122	A92-L99 HydrophobicContact CB-CB 4.19Å; A92-L99 CarbonylContact O-C 3.5Å; A92-L99 WeakPolarHBondContact O-CB 3.35Å; A92-L99 PolarHBondContact O-N 2.91Å; A92-G100 PolarHBondContact O-N 3.47Å; A92-L103 HydrophobicContact CB-CD1 3.67Å; A92-M111 HydrophobicContact CB-CE 4Å; A92-F122 HydrophobicContact CB-CD1 3.37Å; A92-F122 HydrophobicContact CB-CE1 3.7Å; A92-F122 HydrophobicContact CB-CG 4.16Å
93	G	95.2	Very high	97.3	Very high	8 Å²	8	18.6 Å²	18.6	8%	0.082	11%	0.106	C	C	.	.			trans	65.3	-144.4	-166.4	0	0	0	0	0	111.6	N119	G93-N119 PolarHBondContact O-ND2 2.95Å
94	V	95.8	Very high	97.3	Very high	21 Å²	21	22 Å²	22	13%	0.127	12%	0.116	C	C	.	.	B	Isolated β-bridge	trans	-116.1	169.5	179.9	-60.4	0	0	0	0	110.6	L66 N96 F97 G100 E280	L66-V94 HydrophobicContact CD1-CG1 4.37Å; L66-V94 HydrophobicContact CD1-CG2 4.16Å; L66-V94 HydrophobicContact CD2-CG1 4.43Å; L66-V94 HydrophobicContact CD2-CG2 4.28Å; V94-N96 PolarHBondContact O-N 3.07Å; V94-F97 HydrophobicContact CG2-CB 3.7Å; V94-F97 PolarHBondContact N-O 3.12Å; V94-F97 VanDerWaalsContact N-O 3.11Å; V94-F97 PolarHBondContact O-N 3.13Å; V94-F97 VanDerWaalsContact O-N 3.1Å; V94-G100 WeakPolarHBondContact O-CA 3.19Å; V94-E280 HydrophobicContact CG1-CG 4.17Å
95	D	91.8	Very high	97.3	Very high	57 Å²	57	22.3 Å²	22.3	31%	0.305	11%	0.114	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-33.1	-171	-62.6	-58.8	0	0	0	114.6	R104 N119 A120 E121	D95-R104 WeakPolarHBondContact O-CD 3.48Å; D95-N119 PolarHBondContact OD1-OD1 2.91Å; D95-N119 VanDerWaalsContact OD1-OD1 3.09Å; D95-A120 PolarHBondContact OD1-N 2.81Å; D95-E121 WeakPolarHBondContact OD1-CB 3.23Å; D95-E121 PolarHBondContact OD1-N 2.84Å
96	N	95.3	Very high	97.2	Very high	88 Å²	88	26.7 Å²	26.7	47%	0.471	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-120.2	19.6	-175.9	69.3	-10.6	0	0	0	113.9	V94 R278	V94-N96 PolarHBondContact O-N 3.07Å; N96-R278 PolarHBondContact OD1-NH1 2.99Å
97	F	97.1	Very high	97.2	Very high	16 Å²	16	25.6 Å²	25.6	7%	0.07	13%	0.131	C	C	.	.	B	Isolated β-bridge	trans	-157.3	144.9	178.7	-151.9	-119.7	0	0	0	112.8	L66 I69 E71 V94 E276 R278	L66-F97 HydrophobicContact CD1-CD1 4.02Å; L66-F97 HydrophobicContact CD2-CB 4.44Å; L66-F97 HydrophobicContact CD2-CD1 3.98Å; L66-F97 HydrophobicContact CG-CD1 4.43Å; I69-F97 HydrophobicContact CD1-CD1 3.71Å; I69-F97 HydrophobicContact CD1-CE1 3.63Å; I69-F97 HydrophobicContact CD1-CZ 4.48Å; E71-F97 HydrophobicContact CB-CZ 4.23Å; V94-F97 HydrophobicContact CG2-CB 3.7Å; V94-F97 PolarHBondContact N-O 3.12Å; V94-F97 VanDerWaalsContact N-O 3.11Å; V94-F97 PolarHBondContact O-N 3.13Å; V94-F97 VanDerWaalsContact O-N 3.1Å; F97-E276 HydrophobicContact CE2-CB 4.35Å; F97-E276 HydrophobicContact CZ-CB 3.93Å; F97-R278 HydrophobicContact CD1-CB 3.97Å; F97-R278 HydrophobicContact CE1-CB 3.76Å; F97-R278 HydrophobicContact CZ-CB 4.37Å
98	G	97.4	Very high	97.2	Very high	3 Å²	3	25.9 Å²	25.9	3%	0.031	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.6	-145.9	-171	0	0	0	0	0	111.8	G100 L101	G98-G100 PolarHBondContact O-N 3.13Å; G98-G100 VanDerWaalsContact O-N 3.1Å; G98-L101 WeakPolarHBondContact O-CB 3.37Å; G98-L101 WeakPolarHBondContact O-CG 3.42Å; G98-L101 PolarHBondContact O-N 3.36Å; G98-L101 VanDerWaalsContact O-N 3.11Å
99	L	98	Very high	97.2	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.026	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-16.9	-176.1	-68.8	177.4	0	0	0	114.2	V61 I74 A92 L101 L102 L103 I108 M111	V61-L99 HydrophobicContact CB-CD1 4.14Å; V61-L99 HydrophobicContact CB-CD2 4.35Å; V61-L99 HydrophobicContact CG1-CD1 4.26Å; V61-L99 HydrophobicContact CG1-CD2 4.06Å; V61-L99 HydrophobicContact CG1-CG 4.22Å; V61-L99 HydrophobicContact CG2-CD2 4.13Å; I74-L99 HydrophobicContact CD1-CD2 4.43Å; I74-L99 HydrophobicContact CG1-CD2 4.45Å; A92-L99 HydrophobicContact CB-CB 4.19Å; A92-L99 CarbonylContact O-C 3.5Å; A92-L99 WeakPolarHBondContact O-CB 3.35Å; A92-L99 PolarHBondContact O-N 2.91Å; L99-L101 PolarHBondContact O-N 2.77Å; L99-L101 VanDerWaalsContact O-N 3.15Å; L99-L102 HydrophobicContact CD2-CD1 3.78Å; L99-L102 PolarHBondContact O-N 2.96Å; L99-L103 PolarHBondContact O-N 2.93Å; L99-I108 HydrophobicContact CB-CD1 4.39Å; L99-I108 HydrophobicContact CD2-CD1 4.34Å; L99-M111 HydrophobicContact CD1-CE 4.07Å
100	G	97.5	Very high	97.2	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-55.4	-29.7	171.8	0	0	0	0	0	112.9	A92 V94 G98 L103 R104	A92-G100 PolarHBondContact O-N 3.47Å; V94-G100 WeakPolarHBondContact O-CA 3.19Å; G98-G100 PolarHBondContact O-N 3.13Å; G98-G100 VanDerWaalsContact O-N 3.1Å; G100-L103 PolarHBondContact O-N 3.14Å; G100-R104 WeakPolarHBondContact O-CG 3.33Å; G100-R104 PolarHBondContact O-N 2.78Å
101	L	98.3	Very high	97.2	Very high	33 Å²	33	34 Å²	34	17%	0.173	17%	0.165	C	C	.	.	H	α-helix	trans	-62.1	-43.3	172.7	-61.7	175.6	0	0	0	112.1	I74 D75 L78 G98 L99 R104 S105	I74-L101 HydrophobicContact CG2-CD1 4.45Å; D75-L101 WeakPolarHBondContact OD1-CD1 3.38Å; L78-L101 HydrophobicContact CD2-CB 4.36Å; G98-L101 WeakPolarHBondContact O-CB 3.37Å; G98-L101 WeakPolarHBondContact O-CG 3.42Å; G98-L101 PolarHBondContact O-N 3.36Å; G98-L101 VanDerWaalsContact O-N 3.11Å; L99-L101 PolarHBondContact O-N 2.77Å; L99-L101 VanDerWaalsContact O-N 3.15Å; L101-R104 PolarHBondContact O-N 3.35Å; L101-S105 PolarHBondContact O-N 3.17Å; L101-S105 VanDerWaalsContact O-N 3.07Å; L101-S105 PolarHBondContact O-OG 2.92Å
102	L	98.6	Very high	97.4	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.01	17%	0.165	C	C	.	.	H	α-helix	trans	-76.8	-27.5	-179.9	-57	-175.9	0	0	0	112.7	I74 L77 L78 L99 S105 N106 Q107 I108	I74-L102 HydrophobicContact CG2-CD1 4.42Å; I74-L102 HydrophobicContact CG2-CG 4.25Å; L77-L102 HydrophobicContact CD2-CD1 3.89Å; L78-L102 HydrophobicContact CB-CD2 3.83Å; L78-L102 HydrophobicContact CD1-CD2 4.21Å; L99-L102 HydrophobicContact CD2-CD1 3.78Å; L99-L102 PolarHBondContact O-N 2.96Å; L102-S105 WeakPolarHBondContact CA-OG 3.3Å; L102-S105 PolarHBondContact O-OG 3.03Å; L102-N106 PolarHBondContact O-N 2.94Å; L102-Q107 HydrophobicContact CB-CB 4.31Å; L102-Q107 PolarHBondContact O-N 2.93Å; L102-I108 HydrophobicContact CB-CD1 3.7Å; L102-I108 HydrophobicContact CB-CG1 3.88Å
103	L	98	Very high	97.5	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-65	-50.6	168.1	-69.2	175.7	0	0	0	110.2	A92 L99 G100 S105 N106 I108 M111 F122 Q125 L131	A92-L103 HydrophobicContact CB-CD1 3.67Å; L99-L103 PolarHBondContact O-N 2.93Å; G100-L103 PolarHBondContact O-N 3.14Å; L103-S105 VanDerWaalsContact C-N 3.27Å; L103-S105 PolarHBondContact O-N 2.96Å; L103-N106 WeakPolarHBondContact O-CA 3.15Å; L103-N106 PolarHBondContact O-N 3.05Å; L103-I108 HydrophobicContact CD2-CB 4.1Å; L103-I108 HydrophobicContact CD2-CD1 4.05Å; L103-I108 HydrophobicContact CD2-CG2 4.36Å; L103-I108 HydrophobicContact CG-CD1 4.2Å; L103-M111 HydrophobicContact CD2-CG 4.39Å; L103-F122 HydrophobicContact CD1-CB 3.59Å; L103-F122 HydrophobicContact CD1-CD1 4.33Å; L103-F122 HydrophobicContact CD1-CD2 4.24Å; L103-F122 HydrophobicContact CD1-CG 3.81Å; L103-Q125 PolarHBondContact O-NE2 2.6Å; L103-L131 HydrophobicContact CD2-CD1 4Å; L103-L131 HydrophobicContact CD2-CD2 3.78Å
104	R	97.8	Very high	97.6	Very high	156 Å²	156	33.7 Å²	33.7	59%	0.589	16%	0.161	S	C	*	.	H	α-helix	trans	-61.6	-33	178.8	-74.2	-172.6	71.1	-158.2	1.6	113.4	D95 G100 L101 N106 E121	D95-R104 WeakPolarHBondContact O-CD 3.48Å; G100-R104 WeakPolarHBondContact O-CG 3.33Å; G100-R104 PolarHBondContact O-N 2.78Å; L101-R104 PolarHBondContact O-N 3.35Å; R104-N106 PolarHBondContact O-N 2.88Å; R104-E121 HydrophobicContact CG-CB 4.48Å; R104-E121 HydrophobicContact CG-CG 3.94Å
105	S	98.1	Very high	97.4	Very high	32 Å²	32	35.8 Å²	35.8	22%	0.224	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	1.7	174.8	68.4	0	0	0	0	113.4	K83 L101 L102 L103 Q107	K83-S105 PolarHBondContact NZ-O 3Å; L101-S105 PolarHBondContact O-N 3.17Å; L101-S105 VanDerWaalsContact O-N 3.07Å; L101-S105 PolarHBondContact O-OG 2.92Å; L102-S105 WeakPolarHBondContact CA-OG 3.3Å; L102-S105 PolarHBondContact O-OG 3.03Å; L103-S105 VanDerWaalsContact C-N 3.27Å; L103-S105 PolarHBondContact O-N 2.96Å; S105-Q107 PolarHBondContact O-N 2.86Å; S105-Q107 VanDerWaalsContact OG-CG 3.24Å; S105-Q107 WeakPolarHBondContact OG-CG 3.27Å; S105-Q107 PolarHBondContact OG-OE1 3.43Å
106	N	98.1	Very high	97.3	Very high	94 Å²	94	33.1 Å²	33.1	50%	0.503	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	39.9	-176.5	-61.1	-62.4	0	0	0	112.7	K83 L102 L103 R104 Q125	K83-N106 WeakPolarHBondContact CD-O 3.33Å; L102-N106 PolarHBondContact O-N 2.94Å; L103-N106 WeakPolarHBondContact O-CA 3.15Å; L103-N106 PolarHBondContact O-N 3.05Å; R104-N106 PolarHBondContact O-N 2.88Å; N106-Q125 PolarHBondContact OD1-NE2 3.45Å
107	Q	98.7	Very high	96.4	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.009	13%	0.133	C	C	.	.			trans	-86.2	-25.1	175.3	-73.2	-178	-115	0	0	112.5	L77 L78 V82 K83 G84 L85 L102 S105	L77-Q107 PolarHBondContact O-NE2 3.4Å; L78-Q107 PolarHBondContact O-OE1 3.15Å; V82-Q107 WeakPolarHBondContact O-CB 3.46Å; V82-Q107 WeakPolarHBondContact O-CG 3.47Å; V82-Q107 PolarHBondContact O-NE2 2.82Å; K83-Q107 CarbonylContact C-O 3.52Å; K83-Q107 HydrophobicContact CD-CB 4.46Å; K83-Q107 HydrophobicContact CD-CG 3.91Å; G84-Q107 PolarHBondContact N-O 2.88Å; L85-Q107 PolarHBondContact N-O 2.79Å; L102-Q107 HydrophobicContact CB-CB 4.31Å; L102-Q107 PolarHBondContact O-N 2.93Å; S105-Q107 PolarHBondContact O-N 2.86Å; S105-Q107 VanDerWaalsContact OG-CG 3.24Å; S105-Q107 WeakPolarHBondContact OG-CG 3.27Å; S105-Q107 PolarHBondContact OG-OE1 3.43Å
108	I	98.8	Very high	95.7	Very high	9 Å²	9	33 Å²	33	5%	0.046	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	127	-179.9	-58.6	173.2	0	0	0	109.6	A87 L99 L102 L103 R110 M111 L131	A87-I108 HydrophobicContact CB-CD1 4.04Å; A87-I108 HydrophobicContact CB-CG1 4.32Å; A87-I108 HydrophobicContact CB-CG2 4.11Å; L99-I108 HydrophobicContact CB-CD1 4.39Å; L99-I108 HydrophobicContact CD2-CD1 4.34Å; L102-I108 HydrophobicContact CB-CD1 3.7Å; L102-I108 HydrophobicContact CB-CG1 3.88Å; L103-I108 HydrophobicContact CD2-CB 4.1Å; L103-I108 HydrophobicContact CD2-CD1 4.05Å; L103-I108 HydrophobicContact CD2-CG2 4.36Å; L103-I108 HydrophobicContact CG-CD1 4.2Å; I108-R110 VanDerWaalsContact CG2-O 3.27Å; I108-R110 WeakPolarHBondContact CG2-O 3.46Å; I108-M111 HydrophobicContact CD1-SD 3.89Å; I108-M111 HydrophobicContact CG2-CG 4.04Å; I108-M111 HydrophobicContact CG2-SD 3.78Å; I108-L131 HydrophobicContact CB-CD1 4.47Å; I108-L131 HydrophobicContact CG2-CD1 3.91Å
109	K	98.6	Very high	95.4	Very high	110 Å²	110	32.9 Å²	32.9	48%	0.478	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-36.8	171	172.4	-174.3	172.3	-169.8	0	111.7	L85 E132	L85-K109 PolarHBondContact O-N 2.79Å; K109-E132 WeakPolarHBondContact CE-OE1 3.43Å; K109-E132 WeakPolarHBondContact O-CB 3.41Å; K109-E132 PolarHBondContact O-N 2.92Å
110	R	98.8	Very high	95.2	Very high	66 Å²	66	35.6 Å²	35.6	25%	0.249	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.3	-176.1	179.8	175	-77.5	-171	-4.8	111.6	L85 T86 A87 I108 I112 E132	L85-R110 PolarHBondContact O-N 2.94Å; L85-R110 VanDerWaalsContact O-N 3.08Å; T86-R110 CarbonylContact C-O 3.56Å; T86-R110 WeakPolarHBondContact CA-O 3.27Å; T86-R110 HydrophobicContact CG2-CB 4.13Å; T86-R110 HydrophobicContact CG2-CG 4.05Å; A87-R110 PolarHBondContact N-O 3.01Å; I108-R110 VanDerWaalsContact CG2-O 3.27Å; I108-R110 WeakPolarHBondContact CG2-O 3.46Å; R110-I112 HydrophobicContact CG-CG1 4.5Å; R110-E132 CarbonylContact C-O 3.54Å; R110-E132 VanDerWaalsContact CA-O 3.26Å; R110-E132 WeakPolarHBondContact CA-O 3.39Å; R110-E132 HydrophobicContact CB-CB 3.94Å; R110-E132 HydrophobicContact CG-CB 3.97Å; R110-E132 IonicContact CZ-OE2 3.59Å; R110-E132 IonicContact NE-OE2 2.79Å; R110-E132 PolarHBondContact NE-OE2 3.3Å; R110-E132 IonicContact NH2-OE2 3.51Å; R110-E132 PolarHBondContact NH2-OE2 3Å
111	M	98.6	Very high	95.1	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	130.5	167	-69	-66.7	-58.7	0	0	109.7	A87 A92 L99 L103 I108 S113 F122 L131 E132 V133 E134	A87-M111 HydrophobicContact CB-SD 3.69Å; A87-M111 CarbonylContact O-C 3.57Å; A87-M111 WeakPolarHBondContact O-CA 3.24Å; A92-M111 HydrophobicContact CB-CE 4Å; L99-M111 HydrophobicContact CD1-CE 4.07Å; L103-M111 HydrophobicContact CD2-CG 4.39Å; I108-M111 HydrophobicContact CD1-SD 3.89Å; I108-M111 HydrophobicContact CG2-CG 4.04Å; I108-M111 HydrophobicContact CG2-SD 3.78Å; M111-S113 WeakPolarHBondContact CE-OG 3.46Å; M111-F122 HydrophobicContact CB-CE2 3.98Å; M111-F122 HydrophobicContact CB-CZ 3.73Å; M111-F122 HydrophobicContact CE-CE1 4.29Å; M111-F122 HydrophobicContact CE-CZ 4.27Å; M111-F122 HydrophobicContact CG-CE2 3.78Å; M111-F122 HydrophobicContact CG-CZ 3.74Å; M111-L131 HydrophobicContact CG-CD1 4.24Å; M111-L131 HydrophobicContact CG-CD2 3.98Å; M111-L131 HydrophobicContact CG-CG 4.46Å; M111-E132 PolarHBondContact N-O 3.11Å; M111-V133 CarbonylContact O-C 3.54Å; M111-V133 WeakPolarHBondContact O-CA 3.46Å; M111-E134 PolarHBondContact O-N 3.39Å
112	I	98.7	Very high	95	Very high	14 Å²	14	35.8 Å²	35.8	7%	0.072	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	106.9	162.2	-51	-174.4	0	0	0	106.4	T86 A87 V88 S89 R110 E134 L141 I203	T86-I112 HydrophobicContact CG2-CD1 4.2Å; T86-I112 HydrophobicContact CG2-CG1 4.28Å; A87-I112 PolarHBondContact O-N 3.47Å; V88-I112 HydrophobicContact CG1-CB 4.3Å; V88-I112 HydrophobicContact CG2-CB 4.22Å; V88-I112 HydrophobicContact CG2-CD1 4.09Å; V88-I112 HydrophobicContact CG2-CG1 4.34Å; S89-I112 PolarHBondContact N-O 3.14Å; R110-I112 HydrophobicContact CG-CG1 4.5Å; I112-E134 HydrophobicContact CG1-CB 4.2Å; I112-E134 HydrophobicContact CG2-CB 4.31Å; I112-E134 HydrophobicContact CG2-CG 4.44Å; I112-L141 HydrophobicContact CG2-CD1 4.06Å; I112-I203 HydrophobicContact CG2-CD1 4.26Å
113	S	98.1	Very high	94.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	157.7	-168	-64.6	0	0	0	0	112.3	S89 M111 E134 L135 T136	S89-S113 WeakPolarHBondContact O-CA 3.33Å; S89-S113 VanDerWaalsContact O-CB 3.23Å; S89-S113 WeakPolarHBondContact O-CB 3.42Å; S89-S113 PolarHBondContact O-OG 2.65Å; M111-S113 WeakPolarHBondContact CE-OG 3.46Å; S113-E134 PolarHBondContact N-O 3.33Å; S113-E134 VanDerWaalsContact N-O 3.13Å; S113-L135 CarbonylContact O-C 3.52Å; S113-L135 VanDerWaalsContact O-CA 3.3Å; S113-L135 WeakPolarHBondContact O-CA 3.44Å; S113-T136 PolarHBondContact O-N 3.07Å
114	S	97.3	Very high	94.6	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	20%	0.2	C	C	.	.	S	Bend	trans	-91.4	-29.4	176	74.6	0	0	0	0	113	N90 T136 G422 M423 G424	N90-S114 PolarHBondContact O-N 3.19Å; N90-S114 PolarHBondContact O-OG 2.88Å; N90-S114 PolarHBondContact OD1-OG 2.97Å; S114-T136 WeakPolarHBondContact CA-O 3.32Å; S114-T136 WeakPolarHBondContact CB-O 3.17Å; S114-G422 CarbonylContact O-C 3.37Å; S114-M423 PolarHBondContact O-N 3.47Å; S114-M423 VanDerWaalsContact O-N 3.17Å; S114-G424 PolarHBondContact O-N 3Å
115	Y	92.9	Very high	94.5	Very high	64 Å²	64	35.2 Å²	35.2	25%	0.251	17%	0.172	S	C	.	.			trans	-152.4	124.4	-171.7	-172	-105.7	0	0	0	111.2	N90 N91 G117 K421	N90-Y115 PolarHBondContact O-N 2.88Å; N91-Y115 WeakPolarHBondContact ND2-CB 3.31Å; N91-Y115 PolarHBondContact ND2-O 2.87Å; Y115-G117 VanDerWaalsContact CD1-CA 3.5Å; Y115-K421 CarbonylContact C-O 3.5Å; Y115-K421 WeakPolarHBondContact CA-O 3.23Å; Y115-K421 HydrophobicContact CD2-CB 4.3Å; Y115-K421 WeakPolarHBondContact CD2-O 3.34Å; Y115-K421 HydrophobicContact CE2-CB 3.62Å
116	V	87.8	Confident	94.4	Very high	1 Å²	1	33.7 Å²	33.7	1%	0.006	16%	0.162	C	C	.	.			trans	-68.3	-44.6	177.7	176.8	0	0	0	0	110.4	F122 E123 L135 K421	V116-F122 HydrophobicContact CB-CD1 4.13Å; V116-F122 HydrophobicContact CB-CE1 4.19Å; V116-F122 HydrophobicContact CG1-CB 4.02Å; V116-F122 HydrophobicContact CG1-CD1 3.65Å; V116-F122 HydrophobicContact CG1-CD2 4.3Å; V116-F122 HydrophobicContact CG1-CE1 4.18Å; V116-F122 HydrophobicContact CG1-CG 3.73Å; V116-F122 HydrophobicContact CG2-CD1 4.43Å; V116-F122 HydrophobicContact CG2-CE1 4.13Å; V116-F122 HydrophobicContact CG2-CE2 4.44Å; V116-F122 HydrophobicContact CG2-CZ 4.13Å; V116-E123 HydrophobicContact CG1-CB 4.14Å; V116-L135 HydrophobicContact CG2-CD2 4.25Å; V116-K421 PolarHBondContact N-O 3.06Å
117	G	77.8	Confident	94.1	Very high	5 Å²	5	32.5 Å²	32.5	5%	0.052	16%	0.155	C	C	.	.			trans	71	-146.7	174.3	0	0	0	0	0	116.6	Y115 N119 K421	Y115-G117 VanDerWaalsContact CD1-CA 3.5Å; G117-N119 PolarHBondContact O-N 2.86Å; G117-K421 PolarHBondContact O-NZ 3.39Å; G117-K421 VanDerWaalsContact O-NZ 3.08Å
118	E	82.4	Confident	93.9	Very high	96 Å²	96	34.1 Å²	34.1	45%	0.449	17%	0.167	S	C	.	.	S	Bend	trans	-89	52.2	-176.8	-58.6	-61.9	160.5	0	0	110.8	R281	E118-R281 IonicContact OE1-NH2 3.78Å; E118-R281 PolarHBondContact OE1-NH2 3.42Å
119	N	91.4	Very high	93.7	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.005	17%	0.171	C	C	.	.			trans	-129.9	97.8	178	-169	-43.8	0	0	0	108.3	G93 D95 G117 E121 F122 E123	G93-N119 PolarHBondContact O-ND2 2.95Å; D95-N119 PolarHBondContact OD1-OD1 2.91Å; D95-N119 VanDerWaalsContact OD1-OD1 3.09Å; G117-N119 PolarHBondContact O-N 2.86Å; N119-E121 VanDerWaalsContact C-N 3.28Å; N119-E121 PolarHBondContact O-N 3.34Å; N119-E121 PolarHBondContact OD1-N 3.29Å; N119-F122 HydrophobicContact CB-CB 3.81Å; N119-F122 PolarHBondContact O-N 3.25Å; N119-F122 WeakPolarHBondContact OD1-CB 3.36Å; N119-F122 PolarHBondContact OD1-N 2.63Å; N119-E123 PolarHBondContact O-N 3.1Å; N119-E123 VanDerWaalsContact O-N 3.15Å
120	A	93.6	Very high	93.6	Very high	62 Å²	62	33.7 Å²	33.7	51%	0.512	17%	0.17	S	C	.	.	H	α-helix	trans	-67.9	-33.3	-175.1	0	0	0	0	0	111.1	D95 E123 R124	D95-A120 PolarHBondContact OD1-N 2.81Å; A120-E123 PolarHBondContact O-N 2.66Å; A120-R124 WeakPolarHBondContact O-CB 3.32Å; A120-R124 PolarHBondContact O-N 3.17Å
121	E	95.4	Very high	93.6	Very high	38 Å²	38	30.6 Å²	30.6	18%	0.178	16%	0.158	C	C	.	.	H	α-helix	trans	-67.8	-39.9	176.7	-176.8	61.4	-170.7	0	0	111.9	D95 R104 N119 R124 Q125	D95-E121 WeakPolarHBondContact OD1-CB 3.23Å; D95-E121 PolarHBondContact OD1-N 2.84Å; R104-E121 HydrophobicContact CG-CB 4.48Å; R104-E121 HydrophobicContact CG-CG 3.94Å; N119-E121 VanDerWaalsContact C-N 3.28Å; N119-E121 PolarHBondContact O-N 3.34Å; N119-E121 PolarHBondContact OD1-N 3.29Å; E121-R124 PolarHBondContact O-N 3.02Å; E121-R124 IonicContact OE1-CZ 2.81Å; E121-R124 IonicContact OE1-NE 2.87Å; E121-R124 PolarHBondContact OE1-NE 2.97Å; E121-R124 IonicContact OE1-NH2 2.83Å; E121-R124 PolarHBondContact OE1-NH2 2.86Å; E121-R124 IonicContact OE2-CZ 3.1Å; E121-R124 IonicContact OE2-NE 2.94Å; E121-R124 PolarHBondContact OE2-NE 2.83Å; E121-R124 IonicContact OE2-NH2 3.19Å; E121-Q125 HydrophobicContact CG-CG 4.39Å; E121-Q125 WeakPolarHBondContact O-CB 3.21Å; E121-Q125 WeakPolarHBondContact O-CG 3.19Å; E121-Q125 PolarHBondContact O-N 2.72Å; E121-Q125 WeakPolarHBondContact OE1-CG 3.02Å; E121-Q125 PolarHBondContact OE1-NE2 3.04Å
122	F	95.4	Very high	93.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-59.9	-51.6	173.6	-170.6	-178.7	0	0	0	110.7	A92 L103 M111 V116 N119 R124 Q125 Y126 L131 V133	A92-F122 HydrophobicContact CB-CD1 3.37Å; A92-F122 HydrophobicContact CB-CE1 3.7Å; A92-F122 HydrophobicContact CB-CG 4.16Å; L103-F122 HydrophobicContact CD1-CB 3.59Å; L103-F122 HydrophobicContact CD1-CD1 4.33Å; L103-F122 HydrophobicContact CD1-CD2 4.24Å; L103-F122 HydrophobicContact CD1-CG 3.81Å; M111-F122 HydrophobicContact CB-CE2 3.98Å; M111-F122 HydrophobicContact CB-CZ 3.73Å; M111-F122 HydrophobicContact CE-CE1 4.29Å; M111-F122 HydrophobicContact CE-CZ 4.27Å; M111-F122 HydrophobicContact CG-CE2 3.78Å; M111-F122 HydrophobicContact CG-CZ 3.74Å; V116-F122 HydrophobicContact CB-CD1 4.13Å; V116-F122 HydrophobicContact CB-CE1 4.19Å; V116-F122 HydrophobicContact CG1-CB 4.02Å; V116-F122 HydrophobicContact CG1-CD1 3.65Å; V116-F122 HydrophobicContact CG1-CD2 4.3Å; V116-F122 HydrophobicContact CG1-CE1 4.18Å; V116-F122 HydrophobicContact CG1-CG 3.73Å; V116-F122 HydrophobicContact CG2-CD1 4.43Å; V116-F122 HydrophobicContact CG2-CE1 4.13Å; V116-F122 HydrophobicContact CG2-CE2 4.44Å; V116-F122 HydrophobicContact CG2-CZ 4.13Å; N119-F122 HydrophobicContact CB-CB 3.81Å; N119-F122 PolarHBondContact O-N 3.25Å; N119-F122 WeakPolarHBondContact OD1-CB 3.36Å; N119-F122 PolarHBondContact OD1-N 2.63Å; F122-R124 VanDerWaalsContact C-N 3.33Å; F122-R124 PolarHBondContact O-N 3.04Å; F122-Q125 PolarHBondContact O-N 3.39Å; F122-Y126 WeakPolarHBondContact O-CB 3.13Å; F122-Y126 PolarHBondContact O-N 2.84Å; F122-L131 HydrophobicContact CD2-CD2 3.36Å; F122-L131 HydrophobicContact CE2-CD2 3.41Å; F122-L131 VanDerWaalsContact CE2-CD2 3.41Å; F122-V133 HydrophobicContact CD2-CG2 4.49Å; F122-V133 HydrophobicContact CE2-CG1 4.09Å; F122-V133 HydrophobicContact CE2-CG2 3.6Å; F122-V133 HydrophobicContact CZ-CG1 4.1Å; F122-V133 HydrophobicContact CZ-CG2 4.4Å
123	E	93.9	Very high	93.5	Very high	39 Å²	39	30.5 Å²	30.5	18%	0.182	16%	0.157	C	C	.	.	H	α-helix	trans	-60.5	-42.5	177.8	-175.9	164.4	-157.2	0	0	111.6	V116 N119 A120 Y126 L127 K421	V116-E123 HydrophobicContact CG1-CB 4.14Å; N119-E123 PolarHBondContact O-N 3.1Å; N119-E123 VanDerWaalsContact O-N 3.15Å; A120-E123 PolarHBondContact O-N 2.66Å; E123-Y126 PolarHBondContact O-N 3.25Å; E123-L127 HydrophobicContact CG-CD1 3.82Å; E123-L127 HydrophobicContact CG-CG 4.43Å; E123-L127 WeakPolarHBondContact O-CB 3.45Å; E123-L127 VanDerWaalsContact O-CG 3.3Å; E123-L127 WeakPolarHBondContact O-CG 3.5Å; E123-L127 PolarHBondContact O-N 2.88Å; E123-K421 IonicContact OE2-NZ 2.78Å; E123-K421 PolarHBondContact OE2-NZ 3.39Å
124	R	94.7	Very high	93.5	Very high	104 Å²	104	32 Å²	32	39%	0.392	16%	0.164	S	C	.	.	H	α-helix	trans	-61.2	-53.7	178.2	-172.2	-160.4	70.8	70.4	-1.1	112.1	A120 E121 F122 Y126 L127 S128 E130	A120-R124 WeakPolarHBondContact O-CB 3.32Å; A120-R124 PolarHBondContact O-N 3.17Å; E121-R124 PolarHBondContact O-N 3.02Å; E121-R124 IonicContact OE1-CZ 2.81Å; E121-R124 IonicContact OE1-NE 2.87Å; E121-R124 PolarHBondContact OE1-NE 2.97Å; E121-R124 IonicContact OE1-NH2 2.83Å; E121-R124 PolarHBondContact OE1-NH2 2.86Å; E121-R124 IonicContact OE2-CZ 3.1Å; E121-R124 IonicContact OE2-NE 2.94Å; E121-R124 PolarHBondContact OE2-NE 2.83Å; E121-R124 IonicContact OE2-NH2 3.19Å; F122-R124 VanDerWaalsContact C-N 3.33Å; F122-R124 PolarHBondContact O-N 3.04Å; R124-Y126 VanDerWaalsContact C-N 3.27Å; R124-Y126 PolarHBondContact O-N 2.79Å; R124-L127 PolarHBondContact O-N 3.43Å; R124-S128 WeakPolarHBondContact O-CB 3.02Å; R124-S128 PolarHBondContact O-N 3.29Å; R124-S128 PolarHBondContact O-OG 2.75Å; R124-E130 IonicContact CZ-OE1 3.14Å; R124-E130 IonicContact CZ-OE2 2.99Å; R124-E130 IonicContact NH1-OE1 3.87Å; R124-E130 PolarHBondContact NH1-OE1 2.81Å; R124-E130 IonicContact NH1-OE2 2.7Å; R124-E130 PolarHBondContact NH1-OE2 3.09Å; R124-E130 IonicContact NH2-OE1 3.98Å; R124-E130 IonicContact NH2-OE2 2.61Å; R124-E130 PolarHBondContact NH2-OE2 3.31Å
125	Q	96.1	Very high	93.5	Very high	2 Å²	2	32.3 Å²	32.3	1%	0.009	17%	0.166	C	C	.	.	H	α-helix	trans	-63.3	-35.6	-178.1	-72.7	-173.4	15.8	0	0	112.1	L103 N106 E121 F122 S128 G129 E130 L131	L103-Q125 PolarHBondContact O-NE2 2.6Å; N106-Q125 PolarHBondContact OD1-NE2 3.45Å; E121-Q125 HydrophobicContact CG-CG 4.39Å; E121-Q125 WeakPolarHBondContact O-CB 3.21Å; E121-Q125 WeakPolarHBondContact O-CG 3.19Å; E121-Q125 PolarHBondContact O-N 2.72Å; E121-Q125 WeakPolarHBondContact OE1-CG 3.02Å; E121-Q125 PolarHBondContact OE1-NE2 3.04Å; F122-Q125 PolarHBondContact O-N 3.39Å; Q125-S128 PolarHBondContact O-OG 2.91Å; Q125-G129 PolarHBondContact O-N 2.79Å; Q125-E130 HydrophobicContact CB-CB 4.09Å; Q125-E130 HydrophobicContact CG-CB 4.33Å; Q125-E130 PolarHBondContact O-N 2.92Å; Q125-L131 HydrophobicContact CB-CB 3.75Å; Q125-L131 HydrophobicContact CB-CD2 4.41Å; Q125-L131 PolarHBondContact O-N 3.39Å
126	Y	94.8	Very high	93.8	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.3	-53.5	176	174.7	-138.1	0	0	0	111.3	F122 E123 R124 S128 G129 V133 P171 Y174 V420	F122-Y126 WeakPolarHBondContact O-CB 3.13Å; F122-Y126 PolarHBondContact O-N 2.84Å; E123-Y126 PolarHBondContact O-N 3.25Å; R124-Y126 VanDerWaalsContact C-N 3.27Å; R124-Y126 PolarHBondContact O-N 2.79Å; Y126-S128 VanDerWaalsContact C-N 3.28Å; Y126-S128 PolarHBondContact O-N 2.74Å; Y126-G129 PolarHBondContact O-N 2.9Å; Y126-G129 VanDerWaalsContact O-N 3.11Å; Y126-V133 HydrophobicContact CD1-CG2 4.27Å; Y126-V133 HydrophobicContact CD2-CB 3.65Å; Y126-V133 HydrophobicContact CD2-CG2 3.33Å; Y126-V133 HydrophobicContact CE2-CB 3.74Å; Y126-V133 HydrophobicContact CE2-CG2 3.98Å; Y126-V133 HydrophobicContact CG-CB 4.06Å; Y126-V133 HydrophobicContact CG-CG2 3.5Å; Y126-P171 PolarHBondContact OH-O 2.79Å; Y126-Y174 HydrophobicContact CD1-CE2 4.45Å; Y126-Y174 HydrophobicContact CD2-CD2 4.15Å; Y126-Y174 HydrophobicContact CD2-CE2 4.13Å; Y126-Y174 AromaticContact CE1-CE2 3.9Å; Y126-Y174 HydrophobicContact CE1-CE2 3.9Å; Y126-Y174 AromaticContact CE2-CD2 3.83Å; Y126-Y174 HydrophobicContact CE2-CD2 3.83Å; Y126-Y174 AromaticContact CE2-CE2 3.52Å; Y126-Y174 HydrophobicContact CE2-CE2 3.52Å; Y126-Y174 AromaticContact CZ-CE2 3.39Å; Y126-Y174 WeakPolarHBondContact O-CD2 3.41Å; Y126-V420 HydrophobicContact CE1-CB 4.12Å; Y126-V420 HydrophobicContact CE1-CG1 3.69Å
127	L	92.3	Very high	94.3	Very high	69 Å²	69	29.3 Å²	29.3	36%	0.361	15%	0.154	S	C	.	.	H	α-helix	trans	-67	-26.3	-178.4	-66	176.1	0	0	0	113.1	E123 R124 G129 Y174 V420	E123-L127 HydrophobicContact CG-CD1 3.82Å; E123-L127 HydrophobicContact CG-CG 4.43Å; E123-L127 WeakPolarHBondContact O-CB 3.45Å; E123-L127 VanDerWaalsContact O-CG 3.3Å; E123-L127 WeakPolarHBondContact O-CG 3.5Å; E123-L127 PolarHBondContact O-N 2.88Å; R124-L127 PolarHBondContact O-N 3.43Å; L127-G129 VanDerWaalsContact C-N 3.34Å; L127-Y174 HydrophobicContact CD2-CE2 4.16Å; L127-V420 HydrophobicContact CD2-CG2 4.42Å
128	S	94.1	Very high	95.3	Very high	37 Å²	37	29.2 Å²	29.2	26%	0.259	15%	0.152	S	C	.	.	H	α-helix	trans	-80.9	-11.2	174.8	73	0	0	0	0	114.1	R124 Q125 Y126 E130	R124-S128 WeakPolarHBondContact O-CB 3.02Å; R124-S128 PolarHBondContact O-N 3.29Å; R124-S128 PolarHBondContact O-OG 2.75Å; Q125-S128 PolarHBondContact O-OG 2.91Å; Y126-S128 VanDerWaalsContact C-N 3.28Å; Y126-S128 PolarHBondContact O-N 2.74Å; S128-E130 WeakPolarHBondContact OG-CG 3.44Å; S128-E130 PolarHBondContact OG-OE1 3.33Å
129	G	95	Very high	96.1	Very high	13 Å²	13	24.6 Å²	24.6	13%	0.134	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	10.8	-176.8	0	0	0	0	0	114.9	Q125 Y126 L127 K173 Y174	Q125-G129 PolarHBondContact O-N 2.79Å; Y126-G129 PolarHBondContact O-N 2.9Å; Y126-G129 VanDerWaalsContact O-N 3.11Å; L127-G129 VanDerWaalsContact C-N 3.34Å; G129-K173 WeakPolarHBondContact O-CE 3.38Å; G129-Y174 WeakPolarHBondContact CA-O 3.34Å
130	E	96.8	Very high	96.4	Very high	97 Å²	97	24.6 Å²	24.6	45%	0.453	13%	0.131	S	C	.	.	S	Bend	trans	-71.9	-34.2	173.7	-73.7	160.9	-127.5	0	0	111.6	R124 Q125 S128	R124-E130 IonicContact CZ-OE1 3.14Å; R124-E130 IonicContact CZ-OE2 2.99Å; R124-E130 IonicContact NH1-OE1 3.87Å; R124-E130 PolarHBondContact NH1-OE1 2.81Å; R124-E130 IonicContact NH1-OE2 2.7Å; R124-E130 PolarHBondContact NH1-OE2 3.09Å; R124-E130 IonicContact NH2-OE1 3.98Å; R124-E130 IonicContact NH2-OE2 2.61Å; R124-E130 PolarHBondContact NH2-OE2 3.31Å; Q125-E130 HydrophobicContact CB-CB 4.09Å; Q125-E130 HydrophobicContact CG-CB 4.33Å; Q125-E130 PolarHBondContact O-N 2.92Å; S128-E130 WeakPolarHBondContact OG-CG 3.44Å; S128-E130 PolarHBondContact OG-OE1 3.33Å
131	L	97.8	Very high	96.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.106	C	C	.	.	S	Bend	trans	-118.1	138.2	-174.1	-176.9	72.9	0	0	0	112.2	L103 I108 M111 F122 Q125 V133	L103-L131 HydrophobicContact CD2-CD1 4Å; L103-L131 HydrophobicContact CD2-CD2 3.78Å; I108-L131 HydrophobicContact CB-CD1 4.47Å; I108-L131 HydrophobicContact CG2-CD1 3.91Å; M111-L131 HydrophobicContact CG-CD1 4.24Å; M111-L131 HydrophobicContact CG-CD2 3.98Å; M111-L131 HydrophobicContact CG-CG 4.46Å; F122-L131 HydrophobicContact CD2-CD2 3.36Å; F122-L131 HydrophobicContact CE2-CD2 3.41Å; F122-L131 VanDerWaalsContact CE2-CD2 3.41Å; Q125-L131 HydrophobicContact CB-CB 3.75Å; Q125-L131 HydrophobicContact CB-CD2 4.41Å; Q125-L131 PolarHBondContact O-N 3.39Å; L131-V133 HydrophobicContact CD2-CG2 3.86Å; L131-V133 HydrophobicContact CG-CG2 4Å
132	E	98.4	Very high	96.8	Very high	12 Å²	12	19.8 Å²	19.8	6%	0.056	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	132.4	169	-63.4	172.3	-158.6	0	0	110.2	K109 R110 M111 I172 K173 I182	K109-E132 WeakPolarHBondContact CE-OE1 3.43Å; K109-E132 WeakPolarHBondContact O-CB 3.41Å; K109-E132 PolarHBondContact O-N 2.92Å; R110-E132 CarbonylContact C-O 3.54Å; R110-E132 VanDerWaalsContact CA-O 3.26Å; R110-E132 WeakPolarHBondContact CA-O 3.39Å; R110-E132 HydrophobicContact CB-CB 3.94Å; R110-E132 HydrophobicContact CG-CB 3.97Å; R110-E132 IonicContact CZ-OE2 3.59Å; R110-E132 IonicContact NE-OE2 2.79Å; R110-E132 PolarHBondContact NE-OE2 3.3Å; R110-E132 IonicContact NH2-OE2 3.51Å; R110-E132 PolarHBondContact NH2-OE2 3Å; M111-E132 PolarHBondContact N-O 3.11Å; E132-I172 CarbonylContact C-O 3.56Å; E132-I172 WeakPolarHBondContact CA-O 3.44Å; E132-I172 HydrophobicContact CB-CG2 4.14Å; E132-K173 HydrophobicContact CG-CB 4.15Å; E132-K173 HydrophobicContact CG-CD 3.81Å; E132-K173 HydrophobicContact CG-CG 4.14Å; E132-K173 IonicContact OE1-NZ 3.34Å; E132-I182 HydrophobicContact CG-CD1 4.34Å
133	V	97.8	Very high	97	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	108.2	-177.8	-171.7	0	0	0	0	111	M111 F122 Y126 L131 L135 I172	M111-V133 CarbonylContact O-C 3.54Å; M111-V133 WeakPolarHBondContact O-CA 3.46Å; F122-V133 HydrophobicContact CD2-CG2 4.49Å; F122-V133 HydrophobicContact CE2-CG1 4.09Å; F122-V133 HydrophobicContact CE2-CG2 3.6Å; F122-V133 HydrophobicContact CZ-CG1 4.1Å; F122-V133 HydrophobicContact CZ-CG2 4.4Å; Y126-V133 HydrophobicContact CD1-CG2 4.27Å; Y126-V133 HydrophobicContact CD2-CB 3.65Å; Y126-V133 HydrophobicContact CD2-CG2 3.33Å; Y126-V133 HydrophobicContact CE2-CB 3.74Å; Y126-V133 HydrophobicContact CE2-CG2 3.98Å; Y126-V133 HydrophobicContact CG-CB 4.06Å; Y126-V133 HydrophobicContact CG-CG2 3.5Å; L131-V133 HydrophobicContact CD2-CG2 3.86Å; L131-V133 HydrophobicContact CG-CG2 4Å; V133-L135 HydrophobicContact CG1-CD2 3.9Å; V133-L135 HydrophobicContact CG1-CG 4.07Å; V133-L135 PolarHBondContact O-N 3.25Å; V133-I172 PolarHBondContact N-O 2.97Å; V133-I172 WeakPolarHBondContact O-CA 3.32Å
134	E	97.9	Very high	97.3	Very high	31 Å²	31	20.4 Å²	20.4	15%	0.145	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	97.9	168.8	-174.4	178.2	134.2	0	0	109.4	M111 I112 S113 T136 R144	M111-E134 PolarHBondContact O-N 3.39Å; I112-E134 HydrophobicContact CG1-CB 4.2Å; I112-E134 HydrophobicContact CG2-CB 4.31Å; I112-E134 HydrophobicContact CG2-CG 4.44Å; S113-E134 PolarHBondContact N-O 3.33Å; S113-E134 VanDerWaalsContact N-O 3.13Å; E134-T136 PolarHBondContact O-N 3.34Å; E134-T136 PolarHBondContact O-OG1 3.36Å; E134-R144 IonicContact OE1-CZ 2.79Å; E134-R144 IonicContact OE1-NH1 2.7Å; E134-R144 PolarHBondContact OE1-NH1 3.05Å; E134-R144 IonicContact OE1-NH2 3.99Å
135	L	97.3	Very high	97.5	Very high	7 Å²	7	15.4 Å²	15.4	4%	0.037	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	112.6	174.1	-68.3	175.4	0	0	0	110.4	S113 V116 V133 W413 M414 V420 M423	S113-L135 CarbonylContact O-C 3.52Å; S113-L135 VanDerWaalsContact O-CA 3.3Å; S113-L135 WeakPolarHBondContact O-CA 3.44Å; V116-L135 HydrophobicContact CG2-CD2 4.25Å; V133-L135 HydrophobicContact CG1-CD2 3.9Å; V133-L135 HydrophobicContact CG1-CG 4.07Å; V133-L135 PolarHBondContact O-N 3.25Å; L135-W413 HydrophobicContact CD1-CZ3 3.87Å; L135-M414 HydrophobicContact CD1-CE 4.37Å; L135-V420 HydrophobicContact CD1-CG1 3.69Å; L135-M423 HydrophobicContact CB-CE 4.12Å; L135-M423 HydrophobicContact CB-SD 3.91Å
136	T	98.4	Very high	97.6	Very high	2 Å²	2	19.8 Å²	19.8	1%	0.012	10%	0.097	C	C	.	.			trans	-119.1	127.4	-176	-57.5	0	0	0	0	109.8	S113 S114 E134 Q138 T140 L141	S113-T136 PolarHBondContact O-N 3.07Å; S114-T136 WeakPolarHBondContact CA-O 3.32Å; S114-T136 WeakPolarHBondContact CB-O 3.17Å; E134-T136 PolarHBondContact O-N 3.34Å; E134-T136 PolarHBondContact O-OG1 3.36Å; T136-Q138 PolarHBondContact O-N 3.25Å; T136-T140 HydrophobicContact CG2-CG2 4.1Å; T136-L141 HydrophobicContact CG2-CB 3.9Å; T136-L141 HydrophobicContact CG2-CD1 4.45Å
137	P	98.7	Very high	97.8	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.097	C	C	.	.			trans	-50.3	136.9	175.7	-26.6	34.9	0	0	0	112	G139 T140 L141 T159 V165 M423 M427	P137-G139 VanDerWaalsContact C-N 3.34Å; P137-G139 PolarHBondContact O-N 2.97Å; P137-T140 CarbonylContact O-C 3.51Å; P137-T140 WeakPolarHBondContact O-CA 3.4Å; P137-T140 WeakPolarHBondContact O-CB 3.31Å; P137-T140 PolarHBondContact O-N 3.27Å; P137-L141 PolarHBondContact O-N 2.83Å; P137-T159 HydrophobicContact CB-CG2 3.48Å; P137-T159 VanDerWaalsContact CB-CG2 3.48Å; P137-T159 HydrophobicContact CG-CG2 3.91Å; P137-V165 HydrophobicContact CG-CG1 4.27Å; P137-V165 HydrophobicContact CG-CG2 3.96Å; P137-M423 HydrophobicContact CB-CG 4.32Å; P137-M423 HydrophobicContact CG-CG 4.22Å; P137-M427 HydrophobicContact CB-CB 4.22Å; P137-M427 HydrophobicContact CB-SD 4.49Å; P137-M427 HydrophobicContact CG-CB 4.35Å; P137-M427 HydrophobicContact CG-SD 3.71Å
138	Q	98.8	Very high	98.1	Very high	3 Å²	3	17.2 Å²	17.2	1%	0.014	9%	0.088	C	C	.	.	H	α-helix	trans	-59.6	-41.9	-167.1	-175.8	171.5	-41.2	0	0	113.5	F64 N90 T136 T140 L141 A142 F230 E344 F386 G424	F64-Q138 VanDerWaalsContact CE2-NE2 3.34Å; N90-Q138 VanDerWaalsContact OD1-CG 3.23Å; N90-Q138 WeakPolarHBondContact OD1-CG 3.49Å; N90-Q138 PolarHBondContact OD1-OE1 2.84Å; T136-Q138 PolarHBondContact O-N 3.25Å; Q138-T140 VanDerWaalsContact C-N 3.31Å; Q138-L141 WeakPolarHBondContact O-CB 3.36Å; Q138-L141 PolarHBondContact O-N 3.17Å; Q138-A142 PolarHBondContact O-N 3.25Å; Q138-F230 HydrophobicContact CG-CE2 3.94Å; Q138-F230 HydrophobicContact CG-CZ 3.73Å; Q138-E344 PolarHBondContact OE1-OE1 2.79Å; Q138-F386 HydrophobicContact CB-CE1 4.39Å; Q138-F386 HydrophobicContact CB-CE2 4.01Å; Q138-F386 HydrophobicContact CB-CZ 3.67Å; Q138-F386 HydrophobicContact CG-CD2 4.43Å; Q138-F386 HydrophobicContact CG-CE2 3.45Å; Q138-F386 VanDerWaalsContact CG-CE2 3.45Å; Q138-F386 HydrophobicContact CG-CZ 3.55Å; Q138-G424 VanDerWaalsContact CB-C 3.47Å; Q138-G424 WeakPolarHBondContact CB-O 3.5Å; Q138-G424 PolarHBondContact N-O 3.06Å
139	G	98.8	Very high	98.3	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-72	-29.5	176.7	0	0	0	0	0	113	P137 E143 F386 R390 D428	P137-G139 VanDerWaalsContact C-N 3.34Å; P137-G139 PolarHBondContact O-N 2.97Å; G139-E143 WeakPolarHBondContact O-CB 3.39Å; G139-E143 PolarHBondContact O-N 2.92Å; G139-F386 VanDerWaalsContact CA-CD1 3.42Å; G139-F386 VanDerWaalsContact CA-CD2 3.41Å; G139-R390 PolarHBondContact O-NH2 3.45Å; G139-D428 WeakPolarHBondContact CA-OD1 3.33Å; G139-D428 WeakPolarHBondContact CA-OD2 3.32Å; G139-D428 PolarHBondContact N-OD2 2.87Å
140	T	98.9	Very high	98.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-69.1	-43.4	172.2	-61.2	0	0	0	0	110.3	T136 P137 Q138 A142 E143 R144 E200	T136-T140 HydrophobicContact CG2-CG2 4.1Å; P137-T140 CarbonylContact O-C 3.51Å; P137-T140 WeakPolarHBondContact O-CA 3.4Å; P137-T140 WeakPolarHBondContact O-CB 3.31Å; P137-T140 PolarHBondContact O-N 3.27Å; Q138-T140 VanDerWaalsContact C-N 3.31Å; T140-A142 VanDerWaalsContact C-N 3.35Å; T140-A142 PolarHBondContact O-N 2.72Å; T140-E143 PolarHBondContact O-N 2.81Å; T140-R144 HydrophobicContact CG2-CG 4.07Å; T140-R144 WeakPolarHBondContact O-CB 3.44Å; T140-R144 WeakPolarHBondContact O-CG 3.45Å; T140-R144 PolarHBondContact O-N 2.78Å; T140-E200 HydrophobicContact CG2-CB 4.08Å; T140-E200 HydrophobicContact CG2-CG 3.52Å
141	L	98.9	Very high	98.6	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-57.2	-48.2	174.2	-178.7	62.3	0	0	0	111.1	V88 I112 T136 P137 Q138 E143 R144 I145 I203 F230	V88-L141 HydrophobicContact CG1-CD1 3.77Å; I112-L141 HydrophobicContact CG2-CD1 4.06Å; T136-L141 HydrophobicContact CG2-CB 3.9Å; T136-L141 HydrophobicContact CG2-CD1 4.45Å; P137-L141 PolarHBondContact O-N 2.83Å; Q138-L141 WeakPolarHBondContact O-CB 3.36Å; Q138-L141 PolarHBondContact O-N 3.17Å; L141-E143 PolarHBondContact O-N 3.19Å; L141-R144 PolarHBondContact O-N 2.86Å; L141-I145 HydrophobicContact CD1-CD1 4.14Å; L141-I145 HydrophobicContact CG-CD1 4.11Å; L141-I145 WeakPolarHBondContact O-CD1 2.94Å; L141-I145 VanDerWaalsContact O-CG1 3.24Å; L141-I145 WeakPolarHBondContact O-CG1 3.26Å; L141-I145 PolarHBondContact O-N 3.05Å; L141-I145 VanDerWaalsContact O-N 3.13Å; L141-I203 HydrophobicContact CD1-CD1 3.9Å; L141-F230 HydrophobicContact CB-CE1 4.32Å; L141-F230 HydrophobicContact CD2-CE1 3.98Å; L141-F230 HydrophobicContact CD2-CZ 4.23Å; L141-F230 HydrophobicContact CG-CE1 3.9Å; L141-F230 HydrophobicContact CG-CZ 4.48Å
142	A	98.9	Very high	98.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-61.2	-45.2	178.4	0	0	0	0	0	112.1	Q138 T140 I145 R146 F230 D383	Q138-A142 PolarHBondContact O-N 3.25Å; T140-A142 VanDerWaalsContact C-N 3.35Å; T140-A142 PolarHBondContact O-N 2.72Å; A142-I145 PolarHBondContact O-N 3.33Å; A142-R146 WeakPolarHBondContact O-CB 3.18Å; A142-R146 PolarHBondContact O-N 2.91Å; A142-F230 HydrophobicContact CB-CE1 3.75Å; A142-F230 HydrophobicContact CB-CZ 4.07Å; A142-D383 HydrophobicContact CB-CB 4.37Å
143	E	98.9	Very high	98.6	Very high	28 Å²	28	24.3 Å²	24.3	13%	0.131	16%	0.16	C	C	.	.	H	α-helix	trans	-72	-36.1	-179.7	-169.7	61.8	-148.8	0	0	112.5	G139 T140 L141 I145 R146 A147 F155	G139-E143 WeakPolarHBondContact O-CB 3.39Å; G139-E143 PolarHBondContact O-N 2.92Å; T140-E143 PolarHBondContact O-N 2.81Å; L141-E143 PolarHBondContact O-N 3.19Å; E143-I145 VanDerWaalsContact C-N 3.3Å; E143-I145 PolarHBondContact O-N 2.97Å; E143-R146 PolarHBondContact O-N 3.44Å; E143-R146 IonicContact OE1-CZ 3.98Å; E143-R146 IonicContact OE1-NE 3.75Å; E143-R146 PolarHBondContact OE1-NE 3.07Å; E143-R146 IonicContact OE1-NH2 3.7Å; E143-R146 IonicContact OE2-NE 2.85Å; E143-A147 WeakPolarHBondContact O-CB 3.33Å; E143-A147 PolarHBondContact O-N 3.19Å; E143-F155 HydrophobicContact CB-CE1 4.11Å; E143-F155 HydrophobicContact CB-CE2 3.79Å; E143-F155 HydrophobicContact CB-CZ 3.49Å; E143-F155 VanDerWaalsContact CB-CZ 3.49Å; E143-F155 HydrophobicContact CG-CD1 4.11Å; E143-F155 HydrophobicContact CG-CD2 3.77Å; E143-F155 HydrophobicContact CG-CE1 3.76Å; E143-F155 HydrophobicContact CG-CE2 3.37Å; E143-F155 HydrophobicContact CG-CG 4.13Å; E143-F155 HydrophobicContact CG-CZ 3.38Å
144	R	98.9	Very high	98.7	Very high	23 Å²	23	25.9 Å²	25.9	9%	0.087	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-41.9	173.4	-72	175.6	71	-169.1	1	111.4	E134 T140 L141 G148 F155 E200 E201 A202 I203	E134-R144 IonicContact OE1-CZ 2.79Å; E134-R144 IonicContact OE1-NH1 2.7Å; E134-R144 PolarHBondContact OE1-NH1 3.05Å; E134-R144 IonicContact OE1-NH2 3.99Å; T140-R144 HydrophobicContact CG2-CG 4.07Å; T140-R144 WeakPolarHBondContact O-CB 3.44Å; T140-R144 WeakPolarHBondContact O-CG 3.45Å; T140-R144 PolarHBondContact O-N 2.78Å; L141-R144 PolarHBondContact O-N 2.86Å; R144-G148 PolarHBondContact O-N 3.19Å; R144-G148 VanDerWaalsContact O-N 3.1Å; R144-F155 HydrophobicContact CB-CE1 4.38Å; R144-F155 HydrophobicContact CG-CE1 3.79Å; R144-F155 HydrophobicContact CG-CZ 3.98Å; R144-E200 HydrophobicContact CG-CB 4.19Å; R144-E200 IonicContact NE-OE2 3.49Å; R144-E201 WeakPolarHBondContact CD-O 3.36Å; R144-E201 WeakPolarHBondContact CG-O 3.3Å; R144-E201 PolarHBondContact NE-O 2.77Å; R144-A202 WeakPolarHBondContact O-CA 3.43Å; R144-I203 HydrophobicContact CB-CB 4.34Å; R144-I203 HydrophobicContact CB-CD1 3.85Å; R144-I203 HydrophobicContact CB-CG1 3.92Å; R144-I203 VanDerWaalsContact CZ-CD1 3.47Å; R144-I203 PolarHBondContact O-N 3.47Å
145	I	98.9	Very high	98.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-48.7	174.8	-65.3	163.8	0	0	0	110.3	L60 V88 L141 A142 E143 A147 G148 G149 I203 F230 P233 M234 A237	L60-I145 HydrophobicContact CD1-CG2 4.29Å; V88-I145 HydrophobicContact CG1-CD1 4.17Å; L141-I145 HydrophobicContact CD1-CD1 4.14Å; L141-I145 HydrophobicContact CG-CD1 4.11Å; L141-I145 WeakPolarHBondContact O-CD1 2.94Å; L141-I145 VanDerWaalsContact O-CG1 3.24Å; L141-I145 WeakPolarHBondContact O-CG1 3.26Å; L141-I145 PolarHBondContact O-N 3.05Å; L141-I145 VanDerWaalsContact O-N 3.13Å; A142-I145 PolarHBondContact O-N 3.33Å; E143-I145 VanDerWaalsContact C-N 3.3Å; E143-I145 PolarHBondContact O-N 2.97Å; I145-A147 VanDerWaalsContact C-N 3.29Å; I145-A147 PolarHBondContact O-N 2.68Å; I145-G148 PolarHBondContact O-N 3.5Å; I145-G149 PolarHBondContact O-N 2.97Å; I145-G149 VanDerWaalsContact O-N 3.12Å; I145-I203 HydrophobicContact CG1-CB 4.4Å; I145-F230 HydrophobicContact CD1-CD1 4.06Å; I145-F230 HydrophobicContact CD1-CE1 4.32Å; I145-P233 HydrophobicContact CG2-CB 4.03Å; I145-M234 HydrophobicContact CD1-CE 3.6Å; I145-M234 HydrophobicContact CD1-CG 4.06Å; I145-M234 HydrophobicContact CG2-CB 4.48Å; I145-M234 HydrophobicContact CG2-CG 3.91Å; I145-A237 HydrophobicContact CG2-CB 3.68Å; I145-A237 VanDerWaalsContact O-CB 3.25Å; I145-A237 WeakPolarHBondContact O-CB 3.24Å
146	R	98.9	Very high	98.8	Very high	93 Å²	93	28.2 Å²	28.2	35%	0.351	18%	0.182	S	C	.	.	H	α-helix	trans	-56.7	-44	177.8	-164.6	-153.6	83	78	2	111.7	A142 E143 G149 A150 D383	A142-R146 WeakPolarHBondContact O-CB 3.18Å; A142-R146 PolarHBondContact O-N 2.91Å; E143-R146 PolarHBondContact O-N 3.44Å; E143-R146 IonicContact OE1-CZ 3.98Å; E143-R146 IonicContact OE1-NE 3.75Å; E143-R146 PolarHBondContact OE1-NE 3.07Å; E143-R146 IonicContact OE1-NH2 3.7Å; E143-R146 IonicContact OE2-NE 2.85Å; R146-G149 PolarHBondContact O-N 3.25Å; R146-A150 VanDerWaalsContact O-CB 3.26Å; R146-A150 WeakPolarHBondContact O-CB 3.4Å; R146-A150 PolarHBondContact O-N 3.08Å; R146-D383 HydrophobicContact CB-CB 4.05Å; R146-D383 HydrophobicContact CG-CB 4.14Å
147	A	98.9	Very high	98.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-61.9	-43.5	178.4	0	0	0	0	0	111.5	E143 I145 G149 A150 G151 V152 F155 A202	E143-A147 WeakPolarHBondContact O-CB 3.33Å; E143-A147 PolarHBondContact O-N 3.19Å; I145-A147 VanDerWaalsContact C-N 3.29Å; I145-A147 PolarHBondContact O-N 2.68Å; A147-G149 PolarHBondContact O-N 3.41Å; A147-A150 CarbonylContact O-C 3.58Å; A147-A150 PolarHBondContact O-N 3.36Å; A147-A150 VanDerWaalsContact O-N 3.08Å; A147-G151 PolarHBondContact O-N 3.44Å; A147-G151 VanDerWaalsContact O-N 3.14Å; A147-V152 CarbonylContact C-O 3.54Å; A147-V152 HydrophobicContact CB-CB 4.05Å; A147-V152 HydrophobicContact CB-CG1 4.34Å; A147-V152 WeakPolarHBondContact CB-O 3.33Å; A147-V152 PolarHBondContact O-N 3.19Å; A147-F155 HydrophobicContact CB-CD1 4.03Å; A147-F155 HydrophobicContact CB-CE1 4.33Å; A147-A202 HydrophobicContact CB-CB 4.07Å
148	G	98.9	Very high	98.8	Very high	16 Å²	16	28.9 Å²	28.9	17%	0.165	19%	0.186	C	C	.	.	H	α-helix	trans	-57.2	-48.4	175	0	0	0	0	0	112.6	R144 I145 A150 G151	R144-G148 PolarHBondContact O-N 3.19Å; R144-G148 VanDerWaalsContact O-N 3.1Å; I145-G148 PolarHBondContact O-N 3.5Å; G148-A150 PolarHBondContact O-N 2.85Å; G148-G151 PolarHBondContact O-N 3.09Å
149	G	98.6	Very high	98.8	Very high	24 Å²	24	28.7 Å²	28.7	25%	0.247	19%	0.185	C	C	.	.	H	α-helix	trans	-71.7	-13.5	176.4	0	0	0	0	0	115.4	I145 R146 A147 K236	I145-G149 PolarHBondContact O-N 2.97Å; I145-G149 VanDerWaalsContact O-N 3.12Å; R146-G149 PolarHBondContact O-N 3.25Å; A147-G149 PolarHBondContact O-N 3.41Å; G149-K236 WeakPolarHBondContact CA-O 3.37Å
150	A	98.8	Very high	98.8	Very high	52 Å²	52	28.9 Å²	28.9	43%	0.43	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.8	0.6	-179.6	0	0	0	0	0	113.6	R146 A147 G148 V152	R146-A150 VanDerWaalsContact O-CB 3.26Å; R146-A150 WeakPolarHBondContact O-CB 3.4Å; R146-A150 PolarHBondContact O-N 3.08Å; A147-A150 CarbonylContact O-C 3.58Å; A147-A150 PolarHBondContact O-N 3.36Å; A147-A150 VanDerWaalsContact O-N 3.08Å; G148-A150 PolarHBondContact O-N 2.85Å; A150-V152 VanDerWaalsContact C-N 3.29Å; A150-V152 HydrophobicContact CB-CG2 4.3Å; A150-V152 PolarHBondContact O-N 2.7Å
151	G	98.5	Very high	98.7	Very high	69 Å²	69	31.7 Å²	31.7	71%	0.711	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.4	25.3	-175.7	0	0	0	0	0	113.8	A147 G148	A147-G151 PolarHBondContact O-N 3.44Å; A147-G151 VanDerWaalsContact O-N 3.14Å; G148-G151 PolarHBondContact O-N 3.09Å
152	V	98.8	Very high	98.7	Very high	53 Å²	53	32 Å²	32	32%	0.321	20%	0.201	S	C	.	.			trans	-101.1	108.6	175.5	177.2	0	0	0	0	107.8	A147 A150 A154 A202	A147-V152 CarbonylContact C-O 3.54Å; A147-V152 HydrophobicContact CB-CB 4.05Å; A147-V152 HydrophobicContact CB-CG1 4.34Å; A147-V152 WeakPolarHBondContact CB-O 3.33Å; A147-V152 PolarHBondContact O-N 3.19Å; A150-V152 VanDerWaalsContact C-N 3.29Å; A150-V152 HydrophobicContact CB-CG2 4.3Å; A150-V152 PolarHBondContact O-N 2.7Å; V152-A154 VanDerWaalsContact C-N 3.35Å; V152-A154 WeakPolarHBondContact CG1-O 3.29Å; V152-A154 PolarHBondContact O-N 2.79Å; V152-A202 VanDerWaalsContact O-CB 3.3Å; V152-A202 WeakPolarHBondContact O-CB 3.4Å
153	P	98.5	Very high	98.6	Very high	109 Å²	109	32.1 Å²	32.1	71%	0.708	20%	0.201	S	C	*	.			trans	-71.7	-27.9	-171.1	26.8	-34.9	0	0	0	113.7	A202	P153-A202 PolarHBondContact O-N 3.42Å
154	A	98.8	Very high	98.5	Very high	34 Å²	34	32.7 Å²	32.7	28%	0.281	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	158.7	177	0	0	0	0	0	110.9	V152 L199 E200	V152-A154 VanDerWaalsContact C-N 3.35Å; V152-A154 WeakPolarHBondContact CG1-O 3.29Å; V152-A154 PolarHBondContact O-N 2.79Å; A154-L199 HydrophobicContact CB-CD1 3.78Å; A154-L199 HydrophobicContact CB-CG 4.16Å; A154-E200 CarbonylContact C-O 3.6Å; A154-E200 WeakPolarHBondContact CA-O 3.25Å; A154-E200 WeakPolarHBondContact CB-O 3.33Å
155	F	98.9	Very high	98.5	Very high	30 Å²	30	31.8 Å²	31.8	13%	0.132	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	165.1	177	66	-81.2	0	0	0	110.9	E143 R144 A147 T157 E200	E143-F155 HydrophobicContact CB-CE1 4.11Å; E143-F155 HydrophobicContact CB-CE2 3.79Å; E143-F155 HydrophobicContact CB-CZ 3.49Å; E143-F155 VanDerWaalsContact CB-CZ 3.49Å; E143-F155 HydrophobicContact CG-CD1 4.11Å; E143-F155 HydrophobicContact CG-CD2 3.77Å; E143-F155 HydrophobicContact CG-CE1 3.76Å; E143-F155 HydrophobicContact CG-CE2 3.37Å; E143-F155 HydrophobicContact CG-CG 4.13Å; E143-F155 HydrophobicContact CG-CZ 3.38Å; R144-F155 HydrophobicContact CB-CE1 4.38Å; R144-F155 HydrophobicContact CG-CE1 3.79Å; R144-F155 HydrophobicContact CG-CZ 3.98Å; A147-F155 HydrophobicContact CB-CD1 4.03Å; A147-F155 HydrophobicContact CB-CE1 4.33Å; F155-T157 HydrophobicContact CE2-CG2 4.1Å; F155-E200 HydrophobicContact CE1-CB 4.05Å; F155-E200 HydrophobicContact CE2-CB 4.33Å; F155-E200 HydrophobicContact CZ-CB 3.86Å; F155-E200 PolarHBondContact N-O 2.91Å; F155-E200 PolarHBondContact O-N 3.44Å
156	Y	98.8	Very high	98.4	Very high	57 Å²	57	33.4 Å²	33.4	22%	0.224	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.3	175.6	-77.2	-82.3	0	0	0	111.5	E188 R190 F192 F197 I198 L199	Y156-E188 PolarHBondContact OH-OE1 3.47Å; Y156-R190 HydrophobicContact CD1-CB 4.15Å; Y156-R190 HydrophobicContact CE1-CB 3.5Å; Y156-R190 PolarHBondContact OH-NE 3.08Å; Y156-R190 VanDerWaalsContact OH-NE 3.14Å; Y156-R190 PolarHBondContact OH-NH2 3.43Å; Y156-F192 HydrophobicContact CD1-CE2 4.03Å; Y156-F192 AromaticContact CD2-CE2 3.84Å; Y156-F192 HydrophobicContact CD2-CE2 3.84Å; Y156-F192 AromaticContact CD2-CZ 3.93Å; Y156-F192 HydrophobicContact CD2-CZ 3.93Å; Y156-F192 HydrophobicContact CE1-CE2 4.42Å; Y156-F192 HydrophobicContact CE2-CE2 4.23Å; Y156-F192 HydrophobicContact CE2-CZ 4.12Å; Y156-F192 AromaticContact CG-CE2 3.74Å; Y156-F192 HydrophobicContact CG-CE2 3.74Å; Y156-F192 HydrophobicContact CG-CZ 4.31Å; Y156-F197 HydrophobicContact CD1-CB 3.98Å; Y156-F197 HydrophobicContact CG-CB 4.34Å; Y156-I198 VanDerWaalsContact CA-O 3.32Å; Y156-I198 WeakPolarHBondContact CA-O 3.46Å; Y156-L199 HydrophobicContact CD1-CB 4.28Å; Y156-L199 HydrophobicContact CD1-CD1 4.47Å; Y156-L199 HydrophobicContact CD2-CD1 4.15Å; Y156-L199 HydrophobicContact CE1-CB 3.79Å; Y156-L199 HydrophobicContact CE1-CD1 4.06Å; Y156-L199 HydrophobicContact CE2-CD1 3.71Å
157	T	98.8	Very high	98.4	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	143.4	176.1	178.7	0	0	0	0	111.1	F155 T159 F197 I198 E200 R390	F155-T157 HydrophobicContact CE2-CG2 4.1Å; T157-T159 WeakPolarHBondContact OG1-CB 3.42Å; T157-T159 PolarHBondContact OG1-N 3.25Å; T157-T159 PolarHBondContact OG1-OG1 2.68Å; T157-F197 CarbonylContact O-C 3.54Å; T157-F197 WeakPolarHBondContact O-CA 3.38Å; T157-I198 HydrophobicContact CG2-CG1 3.98Å; T157-I198 PolarHBondContact N-O 2.88Å; T157-I198 PolarHBondContact O-N 2.78Å; T157-E200 HydrophobicContact CG2-CG 3.87Å; T157-R390 WeakPolarHBondContact OG1-CD 3.35Å; T157-R390 PolarHBondContact OG1-NE 2.78Å
158	P	98.4	Very high	98.3	Very high	15 Å²	15	35 Å²	35	10%	0.097	22%	0.223	C	C	.	.	S	Bend	trans	-76.4	-17.3	173.7	31.8	-31	0	0	0	111.8	G160 Y161 F197 R390	P158-G160 PolarHBondContact O-N 2.85Å; P158-Y161 WeakPolarHBondContact O-CB 3.23Å; P158-Y161 PolarHBondContact O-N 3.44Å; P158-F197 HydrophobicContact CB-CD1 4.06Å; P158-F197 HydrophobicContact CB-CE1 4.04Å; P158-F197 HydrophobicContact CG-CD1 4.23Å; P158-F197 HydrophobicContact CG-CE1 3.96Å; P158-R390 HydrophobicContact CG-CG 4.11Å
159	T	98.8	Very high	98.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	127.6	177.4	-57.1	0	0	0	0	110.7	P137 T157 Y161 I198 M427 D428	P137-T159 HydrophobicContact CB-CG2 3.48Å; P137-T159 VanDerWaalsContact CB-CG2 3.48Å; P137-T159 HydrophobicContact CG-CG2 3.91Å; T157-T159 WeakPolarHBondContact OG1-CB 3.42Å; T157-T159 PolarHBondContact OG1-N 3.25Å; T157-T159 PolarHBondContact OG1-OG1 2.68Å; T159-Y161 VanDerWaalsContact C-N 3.33Å; T159-Y161 PolarHBondContact O-N 2.88Å; T159-I198 WeakPolarHBondContact O-CD1 3.36Å; T159-I198 WeakPolarHBondContact O-CG1 3.2Å; T159-M427 HydrophobicContact CG2-CB 3.74Å; T159-D428 HydrophobicContact CG2-CB 4.29Å; T159-D428 VanDerWaalsContact CG2-CG 3.46Å; T159-D428 WeakPolarHBondContact CG2-OD1 3.46Å; T159-D428 PolarHBondContact OG1-OD1 3.45Å
160	G	98.1	Very high	97.8	Very high	4 Å²	4	35.6 Å²	35.6	4%	0.041	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	-3.1	174.6	0	0	0	0	0	115.6	P158 G162 T163 Q166	P158-G160 PolarHBondContact O-N 2.85Å; G160-G162 PolarHBondContact O-N 3.13Å; G160-T163 WeakPolarHBondContact O-CB 3.19Å; G160-T163 PolarHBondContact O-N 3.21Å; G160-T163 PolarHBondContact O-OG1 3.14Å; G160-Q166 VanDerWaalsContact O-CB 3.25Å; G160-Q166 WeakPolarHBondContact O-CB 3.33Å; G160-Q166 PolarHBondContact O-N 2.74Å
161	Y	98.6	Very high	97.6	Very high	59 Å²	59	33.8 Å²	33.8	23%	0.231	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	133.2	173.3	174.7	-110	0	0	0	111.9	P158 T159 T163 Q166 V189 H196 I198	P158-Y161 WeakPolarHBondContact O-CB 3.23Å; P158-Y161 PolarHBondContact O-N 3.44Å; T159-Y161 VanDerWaalsContact C-N 3.33Å; T159-Y161 PolarHBondContact O-N 2.88Å; Y161-T163 VanDerWaalsContact C-N 3.28Å; Y161-T163 PolarHBondContact O-N 2.87Å; Y161-Q166 HydrophobicContact CD2-CG 4.27Å; Y161-V189 HydrophobicContact CD2-CG1 4.13Å; Y161-V189 HydrophobicContact CD2-CG2 4.37Å; Y161-V189 HydrophobicContact CE2-CG1 3.78Å; Y161-V189 HydrophobicContact CE2-CG2 4.33Å; Y161-H196 HydrophobicContact CD1-CB 3.79Å; Y161-H196 HydrophobicContact CD2-CB 3.68Å; Y161-H196 HydrophobicContact CE1-CB 3.56Å; Y161-H196 AromaticContact CE1-CD2 3.65Å; Y161-H196 AromaticContact CE1-CG 3.84Å; Y161-H196 HydrophobicContact CE2-CB 3.48Å; Y161-H196 VanDerWaalsContact CE2-CB 3.48Å; Y161-H196 AromaticContact CE2-CG 3.82Å; Y161-H196 HydrophobicContact CG-CB 3.84Å; Y161-H196 AromaticContact CZ-CD2 3.43Å; Y161-H196 VanDerWaalsContact CZ-CD2 3.43Å; Y161-H196 AromaticContact CZ-CG 3.43Å; Y161-H196 VanDerWaalsContact CZ-CG 3.43Å; Y161-H196 PolarHBondContact OH-CD2 3.1Å; Y161-H196 PolarHBondContact OH-NE2 2.94Å; Y161-I198 HydrophobicContact CD2-CG2 4.31Å
162	G	97.4	Very high	97.5	Very high	6 Å²	6	31.2 Å²	31.2	6%	0.062	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	21.4	-177.7	0	0	0	0	0	114.4	G160 Q166	G160-G162 PolarHBondContact O-N 3.13Å; G162-Q166 VanDerWaalsContact N-OE1 3.13Å
163	T	98.3	Very high	97.5	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.012	18%	0.178	C	C	.	.	S	Bend	trans	-122.1	175.7	175.7	77.9	0	0	0	0	110.6	G160 Y161 V165 Q166 E167 M427 L460	G160-T163 WeakPolarHBondContact O-CB 3.19Å; G160-T163 PolarHBondContact O-N 3.21Å; G160-T163 PolarHBondContact O-OG1 3.14Å; Y161-T163 VanDerWaalsContact C-N 3.28Å; Y161-T163 PolarHBondContact O-N 2.87Å; T163-V165 PolarHBondContact O-N 2.67Å; T163-V165 VanDerWaalsContact O-N 3.11Å; T163-V165 WeakPolarHBondContact OG1-CB 3.37Å; T163-V165 PolarHBondContact OG1-N 2.74Å; T163-V165 VanDerWaalsContact OG1-N 3.1Å; T163-Q166 PolarHBondContact O-N 3.13Å; T163-E167 WeakPolarHBondContact O-CG 3.43Å; T163-E167 PolarHBondContact O-N 2.79Å; T163-M427 HydrophobicContact CG2-CE 4.25Å; T163-L460 WeakPolarHBondContact CB-O 3.32Å; T163-L460 HydrophobicContact CG2-CB 4.18Å; T163-L460 WeakPolarHBondContact CG2-O 3.4Å
164	L	96.5	Very high	97.3	Very high	41 Å²	41	27.5 Å²	27.5	22%	0.215	15%	0.15	C	C	.	.	H	α-helix	trans	-57.9	-22.9	171.7	-67	179.7	0	0	0	113.5	G168 W413 P459	L164-G168 WeakPolarHBondContact O-CA 3.3Å; L164-G168 PolarHBondContact O-N 3.17Å; L164-G168 VanDerWaalsContact O-N 3.13Å; L164-W413 HydrophobicContact CD1-CH2 4.43Å; L164-W413 HydrophobicContact CD1-CZ2 4.2Å; L164-P459 HydrophobicContact CD1-CB 3.83Å; L164-P459 HydrophobicContact CD1-CG 4.06Å; L164-P459 HydrophobicContact CG-CB 4.36Å
165	V	97.7	Very high	97.1	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.018	15%	0.154	C	C	.	.	H	α-helix	trans	-64.7	-46	170.9	-179.3	0	0	0	0	109.2	P137 T163 R187 I198 M423 M427	P137-V165 HydrophobicContact CG-CG1 4.27Å; P137-V165 HydrophobicContact CG-CG2 3.96Å; T163-V165 PolarHBondContact O-N 2.67Å; T163-V165 VanDerWaalsContact O-N 3.11Å; T163-V165 WeakPolarHBondContact OG1-CB 3.37Å; T163-V165 PolarHBondContact OG1-N 2.74Å; T163-V165 VanDerWaalsContact OG1-N 3.1Å; V165-R187 WeakPolarHBondContact O-CD 3.41Å; V165-R187 PolarHBondContact O-NE 2.89Å; V165-R187 PolarHBondContact O-NH1 3.38Å; V165-I198 HydrophobicContact CG1-CD1 3.99Å; V165-M423 HydrophobicContact CG2-CE 3.8Å; V165-M427 HydrophobicContact CG2-CE 4.02Å; V165-M427 HydrophobicContact CG2-SD 3.72Å
166	Q	98.4	Very high	96.8	Very high	34 Å²	34	37.8 Å²	37.8	16%	0.159	19%	0.191	C	C	.	.	H	α-helix	trans	-75.9	-46.2	178	179.8	-102.3	-60	0	0	113.2	G160 Y161 G162 T163 G168 P186 R187 V189 I198	G160-Q166 VanDerWaalsContact O-CB 3.25Å; G160-Q166 WeakPolarHBondContact O-CB 3.33Å; G160-Q166 PolarHBondContact O-N 2.74Å; Y161-Q166 HydrophobicContact CD2-CG 4.27Å; G162-Q166 VanDerWaalsContact N-OE1 3.13Å; T163-Q166 PolarHBondContact O-N 3.13Å; Q166-G168 VanDerWaalsContact C-N 3.29Å; Q166-G168 PolarHBondContact O-N 2.99Å; Q166-P186 WeakPolarHBondContact O-CA 3.32Å; Q166-R187 PolarHBondContact O-N 2.72Å; Q166-V189 HydrophobicContact CG-CG2 3.6Å; Q166-I198 HydrophobicContact CB-CG2 3.77Å; Q166-I198 HydrophobicContact CG-CG2 3.43Å; Q166-I198 VanDerWaalsContact CG-CG2 3.43Å
167	E	97.9	Very high	96.4	Very high	120 Å²	120	41 Å²	41	56%	0.561	21%	0.213	S	C	*	.	H	α-helix	trans	-74	-20.4	-170.8	-65.4	176.6	174.6	0	0	113.1	T163 P186	T163-E167 WeakPolarHBondContact O-CG 3.43Å; T163-E167 PolarHBondContact O-N 2.79Å; E167-P186 WeakPolarHBondContact O-CB 3.26Å
168	G	96.6	Very high	96	Very high	7 Å²	7	43.3 Å²	43.3	7%	0.072	24%	0.236	C	C	.	.			trans	77.9	-174.2	-169.5	0	0	0	0	0	111.7	L164 Q166 S170 S184	L164-G168 WeakPolarHBondContact O-CA 3.3Å; L164-G168 PolarHBondContact O-N 3.17Å; L164-G168 VanDerWaalsContact O-N 3.13Å; Q166-G168 VanDerWaalsContact C-N 3.29Å; Q166-G168 PolarHBondContact O-N 2.99Å; G168-S170 VanDerWaalsContact C-N 3.26Å; G168-S170 PolarHBondContact O-N 3.09Å; G168-S184 WeakPolarHBondContact CA-O 3.26Å; G168-S184 WeakPolarHBondContact CA-OG 3.29Å
169	G	94.4	Very high	95.7	Very high	45 Å²	45	44.9 Å²	44.9	46%	0.464	25%	0.247	S	C	.	.			trans	82.7	-3.6	-178.7	0	0	0	0	0	114.6	S184	G169-S184 PolarHBondContact N-O 3.13Å; G169-S184 PolarHBondContact N-OG 2.98Å
170	S	93.4	Very high	95.5	Very high	7 Å²	7	48 Å²	48	5%	0.049	27%	0.266	C	S	.	.			trans	-62.8	129.3	173.6	-165.9	0	0	0	0	109.3	G168 I172 A183 S184	G168-S170 VanDerWaalsContact C-N 3.26Å; G168-S170 PolarHBondContact O-N 3.09Å; S170-I172 PolarHBondContact O-N 3.07Å; S170-A183 CarbonylContact O-C 3.46Å; S170-A183 WeakPolarHBondContact O-CA 3.5Å; S170-S184 VanDerWaalsContact CB-OG 3.23Å; S170-S184 WeakPolarHBondContact CB-OG 3.37Å; S170-S184 PolarHBondContact N-OG 2.83Å; S170-S184 PolarHBondContact O-N 3.43Å
171	P	94.3	Very high	95.5	Very high	15 Å²	15	49.9 Å²	49.9	10%	0.097	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	121.3	-179.9	-22.1	34.5	0	0	0	110.3	Y126 Y174 V180	Y126-P171 PolarHBondContact OH-O 2.79Å; P171-Y174 HydrophobicContact CB-CD1 4.36Å; P171-Y174 HydrophobicContact CB-CE1 3.62Å; P171-Y174 HydrophobicContact CB-CE2 3.98Å; P171-Y174 VanDerWaalsContact CB-CZ 3.4Å; P171-Y174 WeakPolarHBondContact CB-OH 3.39Å; P171-Y174 HydrophobicContact CG-CE1 3.86Å; P171-Y174 WeakPolarHBondContact CG-OH 3.2Å; P171-V180 HydrophobicContact CB-CG1 4.09Å; P171-V180 HydrophobicContact CB-CG2 3.99Å; P171-V180 HydrophobicContact CG-CG2 3.75Å
172	I	97.1	Very high	95.5	Very high	15 Å²	15	49.8 Å²	49.8	8%	0.077	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	-35.1	167.8	-66.9	175	0	0	0	109.5	E132 V133 S170 I182	E132-I172 CarbonylContact C-O 3.56Å; E132-I172 WeakPolarHBondContact CA-O 3.44Å; E132-I172 HydrophobicContact CB-CG2 4.14Å; V133-I172 PolarHBondContact N-O 2.97Å; V133-I172 WeakPolarHBondContact O-CA 3.32Å; S170-I172 PolarHBondContact O-N 3.07Å; I172-I182 WeakPolarHBondContact CA-O 3.35Å; I172-I182 HydrophobicContact CB-CB 4.16Å; I172-I182 HydrophobicContact CB-CG2 3.93Å; I172-I182 HydrophobicContact CD1-CG2 4.35Å; I172-I182 HydrophobicContact CG2-CB 4.44Å; I172-I182 HydrophobicContact CG2-CG2 4.12Å; I172-I182 PolarHBondContact N-O 3.38Å
173	K	97.2	Very high	95.5	Very high	57 Å²	57	52 Å²	52	25%	0.248	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	140.5	177.4	-166.4	-178.4	-171.1	162.7	0	110	G129 E132 A181 I182	G129-K173 WeakPolarHBondContact O-CE 3.38Å; E132-K173 HydrophobicContact CG-CB 4.15Å; E132-K173 HydrophobicContact CG-CD 3.81Å; E132-K173 HydrophobicContact CG-CG 4.14Å; E132-K173 IonicContact OE1-NZ 3.34Å; K173-A181 HydrophobicContact CB-CB 4.26Å; K173-A181 HydrophobicContact CG-CB 4.35Å; K173-A181 WeakPolarHBondContact O-CA 3.41Å; K173-A181 WeakPolarHBondContact O-CB 3.24Å; K173-A181 PolarHBondContact O-N 2.75Å; K173-I182 HydrophobicContact CB-CB 3.86Å; K173-I182 HydrophobicContact CB-CD1 3.89Å; K173-I182 HydrophobicContact CB-CG1 3.86Å; K173-I182 HydrophobicContact CD-CD1 3.91Å; K173-I182 HydrophobicContact CD-CG1 4.38Å; K173-I182 PolarHBondContact N-O 3.06Å; K173-I182 VanDerWaalsContact N-O 3.12Å; K173-I182 PolarHBondContact O-N 3.49Å; K173-I182 VanDerWaalsContact O-N 3.13Å
174	Y	95.4	Very high	95.4	Very high	26 Å²	26	52.4 Å²	52.4	10%	0.102	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	154.4	170.8	-63.3	-81.4	0	0	0	111.8	Y126 L127 G129 P171 S179 V180	Y126-Y174 HydrophobicContact CD1-CE2 4.45Å; Y126-Y174 HydrophobicContact CD2-CD2 4.15Å; Y126-Y174 HydrophobicContact CD2-CE2 4.13Å; Y126-Y174 AromaticContact CE1-CE2 3.9Å; Y126-Y174 HydrophobicContact CE1-CE2 3.9Å; Y126-Y174 AromaticContact CE2-CD2 3.83Å; Y126-Y174 HydrophobicContact CE2-CD2 3.83Å; Y126-Y174 AromaticContact CE2-CE2 3.52Å; Y126-Y174 HydrophobicContact CE2-CE2 3.52Å; Y126-Y174 AromaticContact CZ-CE2 3.39Å; Y126-Y174 WeakPolarHBondContact O-CD2 3.41Å; L127-Y174 HydrophobicContact CD2-CE2 4.16Å; G129-Y174 WeakPolarHBondContact CA-O 3.34Å; P171-Y174 HydrophobicContact CB-CD1 4.36Å; P171-Y174 HydrophobicContact CB-CE1 3.62Å; P171-Y174 HydrophobicContact CB-CE2 3.98Å; P171-Y174 VanDerWaalsContact CB-CZ 3.4Å; P171-Y174 WeakPolarHBondContact CB-OH 3.39Å; P171-Y174 HydrophobicContact CG-CE1 3.86Å; P171-Y174 WeakPolarHBondContact CG-OH 3.2Å; Y174-S179 CarbonylContact C-O 3.53Å; Y174-S179 WeakPolarHBondContact CA-O 3.46Å; Y174-V180 HydrophobicContact CE1-CG2 4.31Å
175	N	95.1	Very high	95.5	Very high	69 Å²	69	58.7 Å²	58.7	37%	0.369	33%	0.33	S	S	.	.			trans	-82.5	165.9	161.7	-71.2	-51.8	0	0	0	109.6	D177 G178 S179 A181	N175-D177 WeakPolarHBondContact CB-OD1 3.4Å; N175-D177 PolarHBondContact O-N 3.08Å; N175-D177 VanDerWaalsContact O-N 3.14Å; N175-G178 PolarHBondContact O-N 3.07Å; N175-S179 WeakPolarHBondContact CB-OG 3.3Å; N175-S179 PolarHBondContact N-O 2.69Å; N175-S179 PolarHBondContact ND2-OG 3.49Å; N175-A181 VanDerWaalsContact OD1-CB 3.31Å; N175-A181 WeakPolarHBondContact OD1-CB 3.38Å
176	K	91.4	Very high	95.5	Very high	211 Å²	211	63 Å²	63	92%	0.917	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-23	177.4	-68.4	-175	177.2	-178.4	0	114.1	G178	K176-G178 VanDerWaalsContact C-N 3.28Å
177	D	91.3	Very high	95.5	Very high	126 Å²	126	63.3 Å²	63.3	67%	0.674	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	1.4	176.7	66.6	-0	0	0	0	113.3	N175 S179	N175-D177 WeakPolarHBondContact CB-OD1 3.4Å; N175-D177 PolarHBondContact O-N 3.08Å; N175-D177 VanDerWaalsContact O-N 3.14Å; D177-S179 VanDerWaalsContact C-N 3.33Å; D177-S179 VanDerWaalsContact OD1-CB 3.27Å; D177-S179 WeakPolarHBondContact OD1-CB 3.46Å; D177-S179 PolarHBondContact OD1-N 3.4Å; D177-S179 PolarHBondContact OD1-OG 3.49Å; D177-S179 PolarHBondContact OD2-OG 3.42Å
178	G	89.1	Confident	95.5	Very high	47 Å²	47	61.9 Å²	61.9	49%	0.485	35%	0.351	S	S	.	.	S	Bend	trans	84.3	-1.6	-178.4	0	0	0	0	0	114.8	N175 K176	N175-G178 PolarHBondContact O-N 3.07Å; K176-G178 VanDerWaalsContact C-N 3.28Å
179	S	93.3	Very high	95.6	Very high	48 Å²	48	64.2 Å²	64.2	34%	0.336	36%	0.364	S	S	.	.			trans	-72.1	158.1	172.6	67.3	0	0	0	0	111.7	Y174 N175 D177 A181	Y174-S179 CarbonylContact C-O 3.53Å; Y174-S179 WeakPolarHBondContact CA-O 3.46Å; N175-S179 WeakPolarHBondContact CB-OG 3.3Å; N175-S179 PolarHBondContact N-O 2.69Å; N175-S179 PolarHBondContact ND2-OG 3.49Å; D177-S179 VanDerWaalsContact C-N 3.33Å; D177-S179 VanDerWaalsContact OD1-CB 3.27Å; D177-S179 WeakPolarHBondContact OD1-CB 3.46Å; D177-S179 PolarHBondContact OD1-N 3.4Å; D177-S179 PolarHBondContact OD1-OG 3.49Å; D177-S179 PolarHBondContact OD2-OG 3.42Å; S179-A181 PolarHBondContact O-N 2.82Å
180	V	95.1	Very high	95.8	Very high	66 Å²	66	67.6 Å²	67.6	40%	0.4	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	115.6	179.7	-177.2	0	0	0	0	109.8	P171 Y174 I182 A183	P171-V180 HydrophobicContact CB-CG1 4.09Å; P171-V180 HydrophobicContact CB-CG2 3.99Å; P171-V180 HydrophobicContact CG-CG2 3.75Å; Y174-V180 HydrophobicContact CE1-CG2 4.31Å; V180-I182 WeakPolarHBondContact CG1-O 3.27Å; V180-A183 HydrophobicContact CG1-CB 3.98Å
181	A	97.3	Very high	96.1	Very high	43 Å²	43	72.6 Å²	72.6	36%	0.355	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-41.2	176.9	0	0	0	0	0	112.2	K173 N175 S179	K173-A181 HydrophobicContact CB-CB 4.26Å; K173-A181 HydrophobicContact CG-CB 4.35Å; K173-A181 WeakPolarHBondContact O-CA 3.41Å; K173-A181 WeakPolarHBondContact O-CB 3.24Å; K173-A181 PolarHBondContact O-N 2.75Å; N175-A181 VanDerWaalsContact OD1-CB 3.31Å; N175-A181 WeakPolarHBondContact OD1-CB 3.38Å; S179-A181 PolarHBondContact O-N 2.82Å
182	I	97.9	Very high	96.3	Very high	58 Å²	58	75.9 Å²	75.9	30%	0.297	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	123.1	177.5	-54.8	175.5	0	0	0	107	E132 I172 K173 V180	E132-I182 HydrophobicContact CG-CD1 4.34Å; I172-I182 WeakPolarHBondContact CA-O 3.35Å; I172-I182 HydrophobicContact CB-CB 4.16Å; I172-I182 HydrophobicContact CB-CG2 3.93Å; I172-I182 HydrophobicContact CD1-CG2 4.35Å; I172-I182 HydrophobicContact CG2-CB 4.44Å; I172-I182 HydrophobicContact CG2-CG2 4.12Å; I172-I182 PolarHBondContact N-O 3.38Å; K173-I182 HydrophobicContact CB-CB 3.86Å; K173-I182 HydrophobicContact CB-CD1 3.89Å; K173-I182 HydrophobicContact CB-CG1 3.86Å; K173-I182 HydrophobicContact CD-CD1 3.91Å; K173-I182 HydrophobicContact CD-CG1 4.38Å; K173-I182 PolarHBondContact N-O 3.06Å; K173-I182 VanDerWaalsContact N-O 3.12Å; K173-I182 PolarHBondContact O-N 3.49Å; K173-I182 VanDerWaalsContact O-N 3.13Å; V180-I182 WeakPolarHBondContact CG1-O 3.27Å
183	A	97.3	Very high	96.2	Very high	52 Å²	52	83.5 Å²	83.5	43%	0.43	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	149.5	176.2	0	0	0	0	0	110.9	S170 V180	S170-A183 CarbonylContact O-C 3.46Å; S170-A183 WeakPolarHBondContact O-CA 3.5Å; V180-A183 HydrophobicContact CG1-CB 3.98Å
184	S	97.4	Very high	96.1	Very high	10 Å²	10	83.7 Å²	83.7	7%	0.07	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-66.1	147.2	173.2	73.1	0	0	0	0	111.1	G168 G169 S170 R187	G168-S184 WeakPolarHBondContact CA-O 3.26Å; G168-S184 WeakPolarHBondContact CA-OG 3.29Å; G169-S184 PolarHBondContact N-O 3.13Å; G169-S184 PolarHBondContact N-OG 2.98Å; S170-S184 VanDerWaalsContact CB-OG 3.23Å; S170-S184 WeakPolarHBondContact CB-OG 3.37Å; S170-S184 PolarHBondContact N-OG 2.83Å; S170-S184 PolarHBondContact O-N 3.43Å; S184-R187 PolarHBondContact OG-NH1 2.84Å
185	K	97.7	Very high	96.1	Very high	173 Å²	173	85.6 Å²	85.6	75%	0.752	47%	0.467	S	S	*	.	P	Polyproline II helix	trans	-78.5	150.2	175.5	-64.6	179.1	-178.4	175.8	0	110.5	R187	K185-R187 WeakPolarHBondContact O-CD 3.42Å; K185-R187 PolarHBondContact O-NH1 3.27Å
186	P	98.3	Very high	96.2	Very high	95 Å²	95	85.4 Å²	85.4	62%	0.617	46%	0.464	S	S	*	.	P	Polyproline II helix	trans	-62.9	154.9	168.1	27.4	-34.4	0	0	0	110.9	Q166 E167	Q166-P186 WeakPolarHBondContact O-CA 3.32Å; E167-P186 WeakPolarHBondContact O-CB 3.26Å
187	R	98.4	Very high	96.5	Very high	39 Å²	39	77.2 Å²	77.2	15%	0.147	43%	0.429	C	S	.	.			trans	-106.2	144	177.4	-72.7	49.3	162.1	-150	-2.6	108.8	V165 Q166 S184 K185 V189 I198 E200	V165-R187 WeakPolarHBondContact O-CD 3.41Å; V165-R187 PolarHBondContact O-NE 2.89Å; V165-R187 PolarHBondContact O-NH1 3.38Å; Q166-R187 PolarHBondContact O-N 2.72Å; S184-R187 PolarHBondContact OG-NH1 2.84Å; K185-R187 WeakPolarHBondContact O-CD 3.42Å; K185-R187 PolarHBondContact O-NH1 3.27Å; R187-V189 PolarHBondContact O-N 3.15Å; R187-I198 HydrophobicContact CB-CB 4.11Å; R187-I198 HydrophobicContact CB-CD1 4.44Å; R187-I198 HydrophobicContact CG-CD1 4.41Å; R187-E200 IonicContact NE-OE1 3.45Å
188	E	98.6	Very high	96.9	Very high	90 Å²	90	71.2 Å²	71.2	42%	0.421	40%	0.397	S	S	.	.			trans	-62	136.8	175.6	-175.3	-167.1	132.4	0	0	109.7	Y156 R190 I198 L199	Y156-E188 PolarHBondContact OH-OE1 3.47Å; E188-R190 IonicContact OE1-CZ 3.53Å; E188-R190 IonicContact OE1-NE 3.9Å; E188-R190 PolarHBondContact OE1-NE 3.27Å; E188-R190 IonicContact OE1-NH2 2.62Å; E188-R190 PolarHBondContact OE1-NH2 3.41Å; E188-I198 CarbonylContact O-C 3.58Å; E188-I198 VanDerWaalsContact O-CA 3.23Å; E188-I198 WeakPolarHBondContact O-CA 3.17Å; E188-L199 HydrophobicContact CB-CB 3.89Å; E188-L199 HydrophobicContact CB-CD2 4.32Å; E188-L199 PolarHBondContact O-N 3.41Å
189	V	98.8	Very high	97.4	Very high	56 Å²	56	71 Å²	71	34%	0.339	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	134.3	174.8	-179.6	0	0	0	0	109.6	Y161 Q166 R187 H196 F197 I198	Y161-V189 HydrophobicContact CD2-CG1 4.13Å; Y161-V189 HydrophobicContact CD2-CG2 4.37Å; Y161-V189 HydrophobicContact CE2-CG1 3.78Å; Y161-V189 HydrophobicContact CE2-CG2 4.33Å; Q166-V189 HydrophobicContact CG-CG2 3.6Å; R187-V189 PolarHBondContact O-N 3.15Å; V189-H196 HydrophobicContact CG1-CB 4.18Å; V189-F197 CarbonylContact C-O 3.49Å; V189-F197 WeakPolarHBondContact CA-O 3.37Å; V189-I198 HydrophobicContact CG2-CG2 4.29Å
190	R	98.7	Very high	97.6	Very high	117 Å²	117	69 Å²	69	44%	0.442	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	142.7	170.6	-168.7	172	-64.5	175.5	7.6	110.7	Y156 E188 F192 F197	Y156-R190 HydrophobicContact CD1-CB 4.15Å; Y156-R190 HydrophobicContact CE1-CB 3.5Å; Y156-R190 PolarHBondContact OH-NE 3.08Å; Y156-R190 VanDerWaalsContact OH-NE 3.14Å; Y156-R190 PolarHBondContact OH-NH2 3.43Å; E188-R190 IonicContact OE1-CZ 3.53Å; E188-R190 IonicContact OE1-NE 3.9Å; E188-R190 PolarHBondContact OE1-NE 3.27Å; E188-R190 IonicContact OE1-NH2 2.62Å; E188-R190 PolarHBondContact OE1-NH2 3.41Å; R190-F192 HydrophobicContact CB-CD2 4.48Å; R190-F192 HydrophobicContact CB-CE2 3.84Å; R190-F192 HydrophobicContact CB-CZ 4.43Å; R190-F192 HydrophobicContact CG-CD2 4.32Å; R190-F192 HydrophobicContact CG-CE2 3.71Å; R190-F192 HydrophobicContact CG-CZ 3.91Å; R190-F197 PolarHBondContact N-O 2.76Å; R190-F197 PolarHBondContact O-N 2.7Å
191	E	98.4	Very high	97.8	Very high	111 Å²	111	72.2 Å²	72.2	52%	0.519	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	134.2	175.4	-166	-175.6	121.8	0	0	110.7	G194 Q195 H196	E191-G194 WeakPolarHBondContact OE1-CA 3.14Å; E191-Q195 CarbonylContact C-O 3.52Å; E191-Q195 WeakPolarHBondContact CA-O 3.45Å; E191-Q195 WeakPolarHBondContact CG-O 3.48Å; E191-H196 IonicContact OE2-CE1 2.72Å; E191-H196 PolarHBondContact OE2-CE1 3.44Å; E191-H196 IonicContact OE2-NE2 3.27Å
192	F	98.2	Very high	97.9	Very high	84 Å²	84	71.6 Å²	71.6	37%	0.368	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	127.1	170.6	-62.8	-89	0	0	0	108.4	Y156 R190 G194 Q195 F197	Y156-F192 HydrophobicContact CD1-CE2 4.03Å; Y156-F192 AromaticContact CD2-CE2 3.84Å; Y156-F192 HydrophobicContact CD2-CE2 3.84Å; Y156-F192 AromaticContact CD2-CZ 3.93Å; Y156-F192 HydrophobicContact CD2-CZ 3.93Å; Y156-F192 HydrophobicContact CE1-CE2 4.42Å; Y156-F192 HydrophobicContact CE2-CE2 4.23Å; Y156-F192 HydrophobicContact CE2-CZ 4.12Å; Y156-F192 AromaticContact CG-CE2 3.74Å; Y156-F192 HydrophobicContact CG-CE2 3.74Å; Y156-F192 HydrophobicContact CG-CZ 4.31Å; R190-F192 HydrophobicContact CB-CD2 4.48Å; R190-F192 HydrophobicContact CB-CE2 3.84Å; R190-F192 HydrophobicContact CB-CZ 4.43Å; R190-F192 HydrophobicContact CG-CD2 4.32Å; R190-F192 HydrophobicContact CG-CE2 3.71Å; R190-F192 HydrophobicContact CG-CZ 3.91Å; F192-G194 PolarHBondContact O-N 2.9Å; F192-Q195 PolarHBondContact N-O 3.04Å; F192-Q195 PolarHBondContact O-N 3.05Å; F192-F197 HydrophobicContact CB-CD2 4.12Å; F192-F197 HydrophobicContact CB-CE2 3.92Å; F192-F197 HydrophobicContact CD2-CB 4.37Å; F192-F197 AromaticContact CD2-CD2 3.75Å; F192-F197 HydrophobicContact CD2-CD2 3.75Å; F192-F197 HydrophobicContact CD2-CE2 4.36Å; F192-F197 HydrophobicContact CD2-CG 4.18Å; F192-F197 HydrophobicContact CG-CD2 4.43Å
193	N	96	Very high	97.9	Very high	176 Å²	176	69.3 Å²	69.3	94%	0.941	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	37.2	177.4	-53.9	-41.1	0	0	0	114.2	Q195	N193-Q195 VanDerWaalsContact C-N 3.28Å; N193-Q195 PolarHBondContact O-N 2.85Å
194	G	94	Very high	98	Very high	61 Å²	61	70.8 Å²	70.8	63%	0.629	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.1	6.4	-179.5	0	0	0	0	0	115.1	E191 F192	E191-G194 WeakPolarHBondContact OE1-CA 3.14Å; F192-G194 PolarHBondContact O-N 2.9Å
195	Q	95.3	Very high	98.1	Very high	66 Å²	66	70.5 Å²	70.5	31%	0.308	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	139.6	175.6	-179.7	172.6	-0.4	0	0	110.4	E191 F192 N193 F197 S431	E191-Q195 CarbonylContact C-O 3.52Å; E191-Q195 WeakPolarHBondContact CA-O 3.45Å; E191-Q195 WeakPolarHBondContact CG-O 3.48Å; F192-Q195 PolarHBondContact N-O 3.04Å; F192-Q195 PolarHBondContact O-N 3.05Å; N193-Q195 VanDerWaalsContact C-N 3.28Å; N193-Q195 PolarHBondContact O-N 2.85Å; Q195-F197 HydrophobicContact CB-CE2 3.78Å; Q195-F197 HydrophobicContact CB-CZ 4.35Å; Q195-F197 HydrophobicContact CG-CD2 4.42Å; Q195-F197 HydrophobicContact CG-CE2 3.76Å; Q195-F197 HydrophobicContact CG-CZ 4.07Å; Q195-F197 WeakPolarHBondContact O-CD2 3.44Å; Q195-F197 VanDerWaalsContact O-CE2 3.32Å; Q195-F197 WeakPolarHBondContact O-CE2 3.44Å; Q195-S431 PolarHBondContact NE2-O 3Å
196	H	98.1	Very high	98.1	Very high	65 Å²	65	65.4 Å²	65.4	30%	0.301	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	140.5	176.7	-64.1	-72.6	0	0	0	111.8	Y161 V189 E191	Y161-H196 HydrophobicContact CD1-CB 3.79Å; Y161-H196 HydrophobicContact CD2-CB 3.68Å; Y161-H196 HydrophobicContact CE1-CB 3.56Å; Y161-H196 AromaticContact CE1-CD2 3.65Å; Y161-H196 AromaticContact CE1-CG 3.84Å; Y161-H196 HydrophobicContact CE2-CB 3.48Å; Y161-H196 VanDerWaalsContact CE2-CB 3.48Å; Y161-H196 AromaticContact CE2-CG 3.82Å; Y161-H196 HydrophobicContact CG-CB 3.84Å; Y161-H196 AromaticContact CZ-CD2 3.43Å; Y161-H196 VanDerWaalsContact CZ-CD2 3.43Å; Y161-H196 AromaticContact CZ-CG 3.43Å; Y161-H196 VanDerWaalsContact CZ-CG 3.43Å; Y161-H196 PolarHBondContact OH-CD2 3.1Å; Y161-H196 PolarHBondContact OH-NE2 2.94Å; V189-H196 HydrophobicContact CG1-CB 4.18Å; E191-H196 IonicContact OE2-CE1 2.72Å; E191-H196 PolarHBondContact OE2-CE1 3.44Å; E191-H196 IonicContact OE2-NE2 3.27Å
197	F	98.7	Very high	98.1	Very high	39 Å²	39	61.5 Å²	61.5	17%	0.171	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.9	177.1	-62.8	-106.9	0	0	0	109.2	Y156 T157 P158 V189 R190 F192 Q195	Y156-F197 HydrophobicContact CD1-CB 3.98Å; Y156-F197 HydrophobicContact CG-CB 4.34Å; T157-F197 CarbonylContact O-C 3.54Å; T157-F197 WeakPolarHBondContact O-CA 3.38Å; P158-F197 HydrophobicContact CB-CD1 4.06Å; P158-F197 HydrophobicContact CB-CE1 4.04Å; P158-F197 HydrophobicContact CG-CD1 4.23Å; P158-F197 HydrophobicContact CG-CE1 3.96Å; V189-F197 CarbonylContact C-O 3.49Å; V189-F197 WeakPolarHBondContact CA-O 3.37Å; R190-F197 PolarHBondContact N-O 2.76Å; R190-F197 PolarHBondContact O-N 2.7Å; F192-F197 HydrophobicContact CB-CD2 4.12Å; F192-F197 HydrophobicContact CB-CE2 3.92Å; F192-F197 HydrophobicContact CD2-CB 4.37Å; F192-F197 AromaticContact CD2-CD2 3.75Å; F192-F197 HydrophobicContact CD2-CD2 3.75Å; F192-F197 HydrophobicContact CD2-CE2 4.36Å; F192-F197 HydrophobicContact CD2-CG 4.18Å; F192-F197 HydrophobicContact CG-CD2 4.43Å; Q195-F197 HydrophobicContact CB-CE2 3.78Å; Q195-F197 HydrophobicContact CB-CZ 4.35Å; Q195-F197 HydrophobicContact CG-CD2 4.42Å; Q195-F197 HydrophobicContact CG-CE2 3.76Å; Q195-F197 HydrophobicContact CG-CZ 4.07Å; Q195-F197 WeakPolarHBondContact O-CD2 3.44Å; Q195-F197 VanDerWaalsContact O-CE2 3.32Å; Q195-F197 WeakPolarHBondContact O-CE2 3.44Å
198	I	98.8	Very high	98.2	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	145.3	172.3	67.7	174	0	0	0	110.9	Y156 T157 T159 Y161 V165 Q166 R187 E188 V189 E200	Y156-I198 VanDerWaalsContact CA-O 3.32Å; Y156-I198 WeakPolarHBondContact CA-O 3.46Å; T157-I198 HydrophobicContact CG2-CG1 3.98Å; T157-I198 PolarHBondContact N-O 2.88Å; T157-I198 PolarHBondContact O-N 2.78Å; T159-I198 WeakPolarHBondContact O-CD1 3.36Å; T159-I198 WeakPolarHBondContact O-CG1 3.2Å; Y161-I198 HydrophobicContact CD2-CG2 4.31Å; V165-I198 HydrophobicContact CG1-CD1 3.99Å; Q166-I198 HydrophobicContact CB-CG2 3.77Å; Q166-I198 HydrophobicContact CG-CG2 3.43Å; Q166-I198 VanDerWaalsContact CG-CG2 3.43Å; R187-I198 HydrophobicContact CB-CB 4.11Å; R187-I198 HydrophobicContact CB-CD1 4.44Å; R187-I198 HydrophobicContact CG-CD1 4.41Å; E188-I198 CarbonylContact O-C 3.58Å; E188-I198 VanDerWaalsContact O-CA 3.23Å; E188-I198 WeakPolarHBondContact O-CA 3.17Å; V189-I198 HydrophobicContact CG2-CG2 4.29Å; I198-E200 HydrophobicContact CD1-CG 4.37Å; I198-E200 HydrophobicContact CG1-CG 4.3Å
199	L	98.8	Very high	98.2	Very high	41 Å²	41	55.4 Å²	55.4	22%	0.215	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	128	172.8	-172.4	75.5	0	0	0	109.7	A154 Y156 E188	A154-L199 HydrophobicContact CB-CD1 3.78Å; A154-L199 HydrophobicContact CB-CG 4.16Å; Y156-L199 HydrophobicContact CD1-CB 4.28Å; Y156-L199 HydrophobicContact CD1-CD1 4.47Å; Y156-L199 HydrophobicContact CD2-CD1 4.15Å; Y156-L199 HydrophobicContact CE1-CB 3.79Å; Y156-L199 HydrophobicContact CE1-CD1 4.06Å; Y156-L199 HydrophobicContact CE2-CD1 3.71Å; E188-L199 HydrophobicContact CB-CB 3.89Å; E188-L199 HydrophobicContact CB-CD2 4.32Å; E188-L199 PolarHBondContact O-N 3.41Å
200	E	98.8	Very high	98.2	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.037	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	134.8	174.2	-73	-73.5	168.5	0	0	109.7	T140 R144 A154 F155 T157 R187 I198	T140-E200 HydrophobicContact CG2-CB 4.08Å; T140-E200 HydrophobicContact CG2-CG 3.52Å; R144-E200 HydrophobicContact CG-CB 4.19Å; R144-E200 IonicContact NE-OE2 3.49Å; A154-E200 CarbonylContact C-O 3.6Å; A154-E200 WeakPolarHBondContact CA-O 3.25Å; A154-E200 WeakPolarHBondContact CB-O 3.33Å; F155-E200 HydrophobicContact CE1-CB 4.05Å; F155-E200 HydrophobicContact CE2-CB 4.33Å; F155-E200 HydrophobicContact CZ-CB 3.86Å; F155-E200 PolarHBondContact N-O 2.91Å; F155-E200 PolarHBondContact O-N 3.44Å; T157-E200 HydrophobicContact CG2-CG 3.87Å; R187-E200 IonicContact NE-OE1 3.45Å; I198-E200 HydrophobicContact CD1-CG 4.37Å; I198-E200 HydrophobicContact CG1-CG 4.3Å
201	E	98.8	Very high	98.2	Very high	133 Å²	133	47.7 Å²	47.7	62%	0.621	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.9	144.6	-177.3	-64.7	-179.9	154.9	0	0	110.9	R144	R144-E201 WeakPolarHBondContact CD-O 3.36Å; R144-E201 WeakPolarHBondContact CG-O 3.3Å; R144-E201 PolarHBondContact NE-O 2.77Å
202	A	98.8	Very high	98.2	Very high	29 Å²	29	42.5 Å²	42.5	24%	0.24	23%	0.234	C	C	.	.			trans	-57.8	152.2	176.8	0	0	0	0	0	113	R144 A147 V152 P153	R144-A202 WeakPolarHBondContact O-CA 3.43Å; A147-A202 HydrophobicContact CB-CB 4.07Å; V152-A202 VanDerWaalsContact O-CB 3.3Å; V152-A202 WeakPolarHBondContact O-CB 3.4Å; P153-A202 PolarHBondContact O-N 3.42Å
203	I	98.7	Very high	98.3	Very high	11 Å²	11	42.3 Å²	42.3	6%	0.056	23%	0.231	C	C	.	.			trans	-113.9	128.4	170.1	-66.2	166.4	0	0	0	108	L60 V88 I112 L141 R144 I145	L60-I203 HydrophobicContact CD2-CG2 4.04Å; V88-I203 HydrophobicContact CG1-CD1 4.38Å; V88-I203 HydrophobicContact CG1-CG2 4.16Å; V88-I203 HydrophobicContact CG2-CG2 4.07Å; I112-I203 HydrophobicContact CG2-CD1 4.26Å; L141-I203 HydrophobicContact CD1-CD1 3.9Å; R144-I203 HydrophobicContact CB-CB 4.34Å; R144-I203 HydrophobicContact CB-CD1 3.85Å; R144-I203 HydrophobicContact CB-CG1 3.92Å; R144-I203 VanDerWaalsContact CZ-CD1 3.47Å; R144-I203 PolarHBondContact O-N 3.47Å; I145-I203 HydrophobicContact CG1-CB 4.4Å
204	T	98.8	Very high	98.4	Very high	83 Å²	83	35.6 Å²	35.6	51%	0.509	19%	0.193	S	C	.	.			trans	-120.7	153.1	165.7	55.3	0	0	0	0	109.5	A237	T204-A237 CarbonylContact C-O 3.55Å; T204-A237 WeakPolarHBondContact CA-O 3.2Å
205	G	98.8	Very high	98.6	Very high	3 Å²	3	32.7 Å²	32.7	3%	0.031	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	156.8	172.3	0	0	0	0	0	112.2	T58 F207 A237 A238 D239	T58-G205 CarbonylContact O-C 3.53Å; G205-F207 VanDerWaalsContact C-N 3.26Å; G205-A237 PolarHBondContact N-O 3.02Å; G205-A238 WeakPolarHBondContact O-CA 3.35Å; G205-A238 WeakPolarHBondContact O-CB 3.38Å; G205-D239 PolarHBondContact O-N 3Å; G205-D239 VanDerWaalsContact O-N 3.12Å
206	D	98.9	Very high	98.7	Very high	66 Å²	66	29.8 Å²	29.8	35%	0.353	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.4	-38.9	165.2	-54.2	-57.4	0	0	0	109	A57 T58 T240	A57-D206 WeakPolarHBondContact CA-OD2 3.48Å; A57-D206 HydrophobicContact CB-CB 4.44Å; T58-D206 PolarHBondContact N-OD2 3.14Å; T58-D206 PolarHBondContact O-N 2.81Å; D206-T240 PolarHBondContact O-N 3.21Å
207	F	98.9	Very high	98.7	Very high	14 Å²	14	32.7 Å²	32.7	6%	0.061	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	150.8	177.1	-70.2	-101.4	0	0	0	112.2	I53 T58 V59 L60 G205 T240 V242	I53-F207 HydrophobicContact CB-CD2 4.38Å; I53-F207 HydrophobicContact CB-CE2 4.33Å; I53-F207 HydrophobicContact CD1-CB 4.06Å; I53-F207 HydrophobicContact CD1-CD1 3.95Å; I53-F207 HydrophobicContact CD1-CD2 4.39Å; I53-F207 HydrophobicContact CD1-CE1 4.48Å; I53-F207 HydrophobicContact CD1-CG 3.89Å; I53-F207 HydrophobicContact CG1-CB 4.34Å; I53-F207 HydrophobicContact CG1-CD1 3.63Å; I53-F207 HydrophobicContact CG1-CD2 3.75Å; I53-F207 HydrophobicContact CG1-CE1 3.72Å; I53-F207 HydrophobicContact CG1-CE2 3.87Å; I53-F207 HydrophobicContact CG1-CG 3.64Å; I53-F207 HydrophobicContact CG1-CZ 3.84Å; I53-F207 HydrophobicContact CG2-CD2 4.31Å; T58-F207 PolarHBondContact O-N 2.95Å; V59-F207 CarbonylContact C-O 3.49Å; V59-F207 WeakPolarHBondContact CA-O 3.34Å; V59-F207 HydrophobicContact CG1-CB 4.39Å; L60-F207 PolarHBondContact N-O 2.87Å; G205-F207 VanDerWaalsContact C-N 3.26Å; F207-T240 CarbonylContact C-O 3.59Å; F207-T240 WeakPolarHBondContact CA-O 3.17Å; F207-T240 HydrophobicContact CD1-CG2 3.69Å; F207-T240 HydrophobicContact CE1-CG2 3.61Å; F207-V242 HydrophobicContact CD1-CG2 4.45Å
208	A	98.9	Very high	98.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	128.2	165.6	0	0	0	0	0	110.3	L60 V210 M234 A238 T240 T241 V242	L60-A208 HydrophobicContact CB-CB 4.04Å; L60-A208 HydrophobicContact CD1-CB 4.45Å; L60-A208 CarbonylContact O-C 3.59Å; L60-A208 WeakPolarHBondContact O-CA 3.47Å; A208-V210 HydrophobicContact CB-CG2 4.39Å; A208-M234 WeakPolarHBondContact CB-O 3.21Å; A208-A238 HydrophobicContact CB-CB 3.62Å; A208-T240 PolarHBondContact N-O 3.39Å; A208-T241 HydrophobicContact CB-CG2 4.3Å; A208-V242 PolarHBondContact O-N 2.88Å
209	L	98.9	Very high	98.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	116.5	172	-52.5	-175	0	0	0	108.3	V50 I53 V59 L60 V61 G62 P70 L73 L77 V242	V50-L209 HydrophobicContact CG1-CD2 3.94Å; I53-L209 HydrophobicContact CD1-CD2 4.32Å; V59-L209 HydrophobicContact CG1-CD1 4.04Å; V59-L209 HydrophobicContact CG1-CG 3.81Å; L60-L209 PolarHBondContact O-N 2.86Å; V61-L209 HydrophobicContact CG2-CB 4.46Å; V61-L209 HydrophobicContact CG2-CD1 4.48Å; G62-L209 PolarHBondContact N-O 3.07Å; P70-L209 HydrophobicContact CB-CB 4.44Å; P70-L209 HydrophobicContact CG-CB 3.97Å; L73-L209 HydrophobicContact CB-CB 4.48Å; L73-L209 HydrophobicContact CB-CD1 4.3Å; L73-L209 HydrophobicContact CB-CD2 4.44Å; L73-L209 HydrophobicContact CD1-CB 4.3Å; L73-L209 HydrophobicContact CD1-CD2 4.32Å; L77-L209 HydrophobicContact CD2-CD1 4.1Å; L209-V242 HydrophobicContact CD2-CB 4.01Å; L209-V242 HydrophobicContact CD2-CG2 4.24Å
210	V	98.9	Very high	98.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	136.3	-170.2	169.3	0	0	0	0	110.8	A208 F223 N231 M234 C235 V242 V243 E244	A208-V210 HydrophobicContact CB-CG2 4.39Å; V210-F223 HydrophobicContact CG1-CE1 4.11Å; V210-F223 HydrophobicContact CG1-CZ 4.33Å; V210-N231 HydrophobicContact CG1-CB 3.65Å; V210-N231 WeakPolarHBondContact CG1-OD1 3.34Å; V210-M234 HydrophobicContact CG2-CB 4.21Å; V210-C235 WeakPolarHBondContact CG1-SG 3.11Å; V210-V242 PolarHBondContact N-O 3.49Å; V210-V243 HydrophobicContact CB-CG2 4.31Å; V210-V243 HydrophobicContact CG1-CG1 4.44Å; V210-V243 HydrophobicContact CG1-CG2 4.5Å; V210-V243 CarbonylContact O-C 3.54Å; V210-V243 WeakPolarHBondContact O-CA 3.08Å; V210-E244 PolarHBondContact O-N 3.27Å
211	K	98.8	Very high	98.4	Very high	12 Å²	12	30.2 Å²	30.2	5%	0.052	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	129.1	170.9	176.5	59.2	176.9	59.2	0	110.9	G68 I69 P70 F223 N231 E244 E246 Y275	G68-K211 WeakPolarHBondContact O-CB 3.17Å; I69-K211 WeakPolarHBondContact O-CB 3.5Å; I69-K211 WeakPolarHBondContact O-CG 3.34Å; P70-K211 HydrophobicContact CB-CB 4.2Å; K211-F223 WeakPolarHBondContact O-CE1 3.36Å; K211-N231 PolarHBondContact N-OD1 3.33Å; K211-N231 VanDerWaalsContact O-CG 3.24Å; K211-N231 PolarHBondContact O-OD1 3.33Å; K211-E244 HydrophobicContact CB-CG 4.36Å; K211-E244 HydrophobicContact CD-CG 3.77Å; K211-E244 WeakPolarHBondContact CD-OE1 3.49Å; K211-E246 IonicContact NZ-OE1 2.68Å; K211-E246 PolarHBondContact NZ-OE1 2.76Å; K211-Y275 HydrophobicContact CD-CE1 3.72Å
212	A	98.8	Very high	98.4	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.017	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	172.7	171.1	0	0	0	0	0	112.8	V221 F223 V243 E244 V245	A212-V221 HydrophobicContact CB-CG1 3.08Å; A212-F223 HydrophobicContact CB-CD1 3.69Å; A212-F223 HydrophobicContact CB-CE1 3.53Å; A212-F223 HydrophobicContact CB-CZ 4.35Å; A212-V243 HydrophobicContact CB-CG1 4.02Å; A212-E244 PolarHBondContact N-O 3Å; A212-V245 HydrophobicContact CB-CG1 4.11Å; A212-V245 WeakPolarHBondContact O-CA 3.41Å
213	W	98.8	Very high	98.4	Very high	80 Å²	80	23.8 Å²	23.8	30%	0.303	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	-59.9	-176.5	178.1	39.8	0	0	0	111	I222 R224 E246 E247	W213-I222 HydrophobicContact CE3-CD1 3.58Å; W213-I222 HydrophobicContact CE3-CG1 4.09Å; W213-I222 HydrophobicContact CZ3-CD1 3.7Å; W213-I222 PolarHBondContact N-O 2.86Å; W213-R224 HydrophobicContact CB-CB 3.71Å; W213-R224 HydrophobicContact CD2-CB 3.96Å; W213-R224 HydrophobicContact CD2-CG 4.42Å; W213-R224 HydrophobicContact CE3-CB 4.25Å; W213-R224 HydrophobicContact CG-CB 3.74Å; W213-E246 WeakPolarHBondContact O-CB 3.28Å; W213-E246 PolarHBondContact O-N 2.91Å; W213-E247 PolarHBondContact O-N 3.28Å
214	K	98.8	Very high	98.4	Very high	34 Å²	34	26.4 Å²	26.4	15%	0.148	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	153.7	179.9	-51.6	-163.4	178.3	-160.1	0	111.2	V221 I222 E247 V249 F254	K214-V221 WeakPolarHBondContact O-CA 3.39Å; K214-I222 HydrophobicContact CB-CD1 4.24Å; K214-I222 HydrophobicContact CB-CG1 3.9Å; K214-I222 HydrophobicContact CG-CD1 4.44Å; K214-I222 HydrophobicContact CG-CG1 4.48Å; K214-I222 PolarHBondContact N-O 3.06Å; K214-I222 PolarHBondContact O-N 2.84Å; K214-E247 VanDerWaalsContact CA-O 3.28Å; K214-E247 WeakPolarHBondContact CA-O 3.4Å; K214-E247 HydrophobicContact CD-CB 4.24Å; K214-E247 WeakPolarHBondContact CE-OE2 3.41Å; K214-E247 HydrophobicContact CG-CB 4.03Å; K214-E247 IonicContact NZ-OE1 3.08Å; K214-E247 PolarHBondContact NZ-OE1 3.42Å; K214-E247 IonicContact NZ-OE2 2.69Å; K214-E247 PolarHBondContact NZ-OE2 3.38Å; K214-V249 HydrophobicContact CD-CG1 4.01Å; K214-F254 HydrophobicContact CB-CE1 4.18Å; K214-F254 HydrophobicContact CB-CZ 3.68Å; K214-F254 HydrophobicContact CD-CE1 4.36Å
215	A	98.8	Very high	98.4	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.9	163.7	0	0	0	0	0	111.7	N220 V221 V245 E247 I248 V249 L269	A215-N220 CarbonylContact C-O 3.53Å; A215-N220 WeakPolarHBondContact CA-O 3.37Å; A215-V221 HydrophobicContact CB-CG2 3.94Å; A215-V245 HydrophobicContact CB-CG1 3.89Å; A215-V245 HydrophobicContact CB-CG2 4.24Å; A215-E247 PolarHBondContact N-O 2.79Å; A215-I248 CarbonylContact O-C 3.51Å; A215-I248 VanDerWaalsContact O-CA 3.25Å; A215-I248 WeakPolarHBondContact O-CA 3.43Å; A215-V249 WeakPolarHBondContact O-CG2 3.19Å; A215-V249 PolarHBondContact O-N 2.87Å; A215-L269 HydrophobicContact CB-CD1 3.31Å; A215-L269 HydrophobicContact CB-CD2 4.13Å; A215-L269 HydrophobicContact CB-CG 4.24Å
216	D	98.1	Very high	98.4	Very high	5 Å²	5	25 Å²	25	3%	0.027	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	172.1	168	72.5	13.2	0	0	0	111.5	A218 G219 N220 V249 F254	D216-A218 PolarHBondContact O-N 2.97Å; D216-A218 WeakPolarHBondContact OD1-CA 3.38Å; D216-A218 VanDerWaalsContact OD1-CB 3.27Å; D216-A218 WeakPolarHBondContact OD1-CB 3.35Å; D216-A218 PolarHBondContact OD1-N 2.99Å; D216-G219 PolarHBondContact O-N 3.27Å; D216-G219 PolarHBondContact OD1-N 2.87Å; D216-N220 PolarHBondContact N-O 2.7Å; D216-N220 PolarHBondContact OD1-N 3.03Å; D216-N220 PolarHBondContact OD1-ND2 3.35Å; D216-N220 WeakPolarHBondContact OD2-CB 3.45Å; D216-N220 PolarHBondContact OD2-ND2 2.82Å; D216-V249 CarbonylContact C-O 3.47Å; D216-V249 VanDerWaalsContact CA-O 3.27Å; D216-V249 WeakPolarHBondContact CA-O 3.28Å; D216-V249 HydrophobicContact CB-CG2 4.12Å; D216-F254 HydrophobicContact CB-CD2 4.16Å; D216-F254 HydrophobicContact CB-CE2 3.87Å
217	R	96.6	Very high	98.4	Very high	127 Å²	127	22.2 Å²	22.2	48%	0.479	10%	0.095	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-2.4	176.5	-62.9	-179.8	-174.5	-78.9	-0.6	114.7	R38 I248 V249 D250 I251	R38-R217 PolarHBondContact NH1-O 3.41Å; R217-I248 HydrophobicContact CG-CG2 4.16Å; R217-V249 WeakPolarHBondContact CG-O 3.27Å; R217-V249 PolarHBondContact N-O 3.44Å; R217-D250 IonicContact CZ-OD1 3.68Å; R217-D250 IonicContact NE-OD1 2.77Å; R217-D250 PolarHBondContact NE-OD1 3.37Å; R217-D250 IonicContact NH2-OD1 3.68Å; R217-I251 HydrophobicContact CB-CD1 4.27Å; R217-I251 HydrophobicContact CB-CG1 4.06Å
218	A	95.5	Very high	98.4	Very high	11 Å²	11	23.4 Å²	23.4	9%	0.091	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-28.7	166.6	0	0	0	0	0	110.3	T40 D216 I251 Q263	T40-A218 PolarHBondContact OG1-O 3.33Å; D216-A218 PolarHBondContact O-N 2.97Å; D216-A218 WeakPolarHBondContact OD1-CA 3.38Å; D216-A218 VanDerWaalsContact OD1-CB 3.27Å; D216-A218 WeakPolarHBondContact OD1-CB 3.35Å; D216-A218 PolarHBondContact OD1-N 2.99Å; A218-I251 HydrophobicContact CB-CD1 4.05Å; A218-I251 HydrophobicContact CB-CG1 4.06Å; A218-Q263 WeakPolarHBondContact O-CB 3.48Å; A218-Q263 PolarHBondContact O-OE1 2.79Å
219	G	97.3	Very high	98.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.099	C	C	.	.			trans	104.6	12.8	-176.7	0	0	0	0	0	112.7	D216 Q263 V266	D216-G219 PolarHBondContact O-N 3.27Å; D216-G219 PolarHBondContact OD1-N 2.87Å; G219-Q263 WeakPolarHBondContact O-CA 3.39Å; G219-V266 WeakPolarHBondContact O-CG2 3.49Å
220	N	98.3	Very high	98.4	Very high	25 Å²	25	23.4 Å²	23.4	13%	0.134	10%	0.099	C	C	.	.			trans	-69.4	140.9	168.4	-59.4	-55.9	0	0	0	109	A215 D216 I259 Q263	A215-N220 CarbonylContact C-O 3.53Å; A215-N220 WeakPolarHBondContact CA-O 3.37Å; D216-N220 PolarHBondContact N-O 2.7Å; D216-N220 PolarHBondContact OD1-N 3.03Å; D216-N220 PolarHBondContact OD1-ND2 3.35Å; D216-N220 WeakPolarHBondContact OD2-CB 3.45Å; D216-N220 PolarHBondContact OD2-ND2 2.82Å; N220-I259 HydrophobicContact CB-CD1 3.81Å; N220-I259 HydrophobicContact CB-CG1 4.07Å; N220-I259 HydrophobicContact CB-CG2 3.84Å; N220-Q263 PolarHBondContact OD1-N 3.47Å
221	V	98.7	Very high	98.4	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139	-169.9	170.7	0	0	0	0	111	A212 K214 A215 F223 V243 H260 I261 V266 L269	A212-V221 HydrophobicContact CB-CG1 3.08Å; K214-V221 WeakPolarHBondContact O-CA 3.39Å; A215-V221 HydrophobicContact CB-CG2 3.94Å; V221-F223 HydrophobicContact CG1-CZ 4.4Å; V221-V243 HydrophobicContact CG1-CG1 4.37Å; V221-V243 HydrophobicContact CG2-CG1 4.16Å; V221-H260 PolarHBondContact O-N 2.79Å; V221-I261 HydrophobicContact CB-CB 4.17Å; V221-I261 PolarHBondContact N-O 3.08Å; V221-I261 PolarHBondContact O-N 2.94Å; V221-V266 HydrophobicContact CG2-CG2 3.99Å; V221-L269 HydrophobicContact CG2-CD1 4.44Å
222	I	98.9	Very high	98.4	Very high	18 Å²	18	23.5 Å²	23.5	9%	0.092	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	154.5	169.5	63.3	166.8	0	0	0	111.3	W213 K214 F254 D258	W213-I222 HydrophobicContact CE3-CD1 3.58Å; W213-I222 HydrophobicContact CE3-CG1 4.09Å; W213-I222 HydrophobicContact CZ3-CD1 3.7Å; W213-I222 PolarHBondContact N-O 2.86Å; K214-I222 HydrophobicContact CB-CD1 4.24Å; K214-I222 HydrophobicContact CB-CG1 3.9Å; K214-I222 HydrophobicContact CG-CD1 4.44Å; K214-I222 HydrophobicContact CG-CG1 4.48Å; K214-I222 PolarHBondContact N-O 3.06Å; K214-I222 PolarHBondContact O-N 2.84Å; I222-F254 HydrophobicContact CD1-CD1 3.89Å; I222-F254 HydrophobicContact CD1-CE1 3.43Å; I222-F254 VanDerWaalsContact CD1-CE1 3.43Å; I222-F254 HydrophobicContact CD1-CZ 3.96Å; I222-F254 HydrophobicContact CG1-CD1 4.49Å; I222-F254 HydrophobicContact CG1-CE1 3.9Å; I222-F254 HydrophobicContact CG1-CE2 4.45Å; I222-F254 HydrophobicContact CG1-CZ 3.88Å; I222-F254 HydrophobicContact CG2-CD1 4.48Å; I222-F254 HydrophobicContact CG2-CD2 4.36Å; I222-F254 HydrophobicContact CG2-CE2 4.47Å; I222-F254 HydrophobicContact CG2-CG 4.36Å; I222-D258 WeakPolarHBondContact CG2-O 3.25Å
223	F	98.9	Very high	98.4	Very high	9 Å²	9	23.4 Å²	23.4	4%	0.039	10%	0.1	C	C	.	.			trans	-115.5	156.2	-178	-61.6	-78.5	0	0	0	109.3	V210 K211 A212 V221 R228 N231 L232 H260 I261	V210-F223 HydrophobicContact CG1-CE1 4.11Å; V210-F223 HydrophobicContact CG1-CZ 4.33Å; K211-F223 WeakPolarHBondContact O-CE1 3.36Å; A212-F223 HydrophobicContact CB-CD1 3.69Å; A212-F223 HydrophobicContact CB-CE1 3.53Å; A212-F223 HydrophobicContact CB-CZ 4.35Å; V221-F223 HydrophobicContact CG1-CZ 4.4Å; F223-R228 HydrophobicContact CB-CB 3.68Å; F223-R228 HydrophobicContact CB-CG 3.84Å; F223-R228 HydrophobicContact CD2-CB 4.4Å; F223-R228 HydrophobicContact CD2-CG 3.67Å; F223-R228 HydrophobicContact CE2-CG 4.37Å; F223-R228 HydrophobicContact CG-CB 4.05Å; F223-R228 HydrophobicContact CG-CG 3.83Å; F223-N231 HydrophobicContact CD1-CB 4.18Å; F223-N231 HydrophobicContact CE1-CB 3.46Å; F223-N231 VanDerWaalsContact CE1-CB 3.46Å; F223-N231 HydrophobicContact CZ-CB 3.93Å; F223-L232 HydrophobicContact CD2-CB 4.46Å; F223-L232 HydrophobicContact CD2-CD1 4.4Å; F223-L232 HydrophobicContact CE2-CB 3.79Å; F223-L232 HydrophobicContact CE2-CD1 4.18Å; F223-L232 HydrophobicContact CE2-CG 4.08Å; F223-L232 HydrophobicContact CZ-CB 4.25Å; F223-H260 HydrophobicContact CD2-CB 3.71Å; F223-H260 AromaticContact CD2-ND1 3.58Å; F223-H260 HydrophobicContact CE2-CB 4.07Å; F223-H260 PolarHBondContact N-ND1 3.45Å; F223-H260 PolarHBondContact O-CE1 3.46Å; F223-I261 HydrophobicContact CE2-CG1 3.69Å; F223-I261 HydrophobicContact CZ-CG1 4.06Å
224	R	98.6	Very high	98.4	Very high	65 Å²	65	19.6 Å²	19.6	25%	0.245	9%	0.085	C	C	.	.			trans	-113.6	124.5	-179.5	-177.1	171.5	-178.6	-80.5	-4.1	110.2	W213 A227 D360 D362	W213-R224 HydrophobicContact CB-CB 3.71Å; W213-R224 HydrophobicContact CD2-CB 3.96Å; W213-R224 HydrophobicContact CD2-CG 4.42Å; W213-R224 HydrophobicContact CE3-CB 4.25Å; W213-R224 HydrophobicContact CG-CB 3.74Å; R224-A227 WeakPolarHBondContact O-CB 3.17Å; R224-A227 PolarHBondContact O-N 3.18Å; R224-D360 IonicContact CZ-OD1 2.79Å; R224-D360 IonicContact CZ-OD2 3.91Å; R224-D360 VanDerWaalsContact NH1-CG 3.26Å; R224-D360 IonicContact NH1-OD1 2.74Å; R224-D360 PolarHBondContact NH1-OD1 3.12Å; R224-D360 IonicContact NH1-OD2 3.72Å; R224-D360 PolarHBondContact NH1-OD2 2.89Å; R224-D360 IonicContact NH2-OD2 3.28Å; R224-D360 PolarHBondContact NH2-OD2 3.48Å; R224-D362 IonicContact CZ-OD2 3.18Å; R224-D362 IonicContact NH1-OD2 3.96Å; R224-D362 PolarHBondContact NH1-OD2 3.48Å
225	K	98.7	Very high	98.4	Very high	57 Å²	57	18 Å²	18	25%	0.248	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	51.2	-136.8	173.3	-57.5	-174.1	-179.5	-176	0	112.4	A227 D360 D362 L363 F379	K225-A227 VanDerWaalsContact C-N 3.26Å; K225-A227 PolarHBondContact O-N 2.8Å; K225-D360 WeakPolarHBondContact CE-OD2 3.38Å; K225-D360 IonicContact NZ-OD2 3.78Å; K225-D360 PolarHBondContact NZ-OD2 2.91Å; K225-D362 HydrophobicContact CB-CB 4.3Å; K225-D362 VanDerWaalsContact CB-O 3.27Å; K225-D362 WeakPolarHBondContact CB-O 3.21Å; K225-L363 HydrophobicContact CB-CD1 4.44Å; K225-L363 HydrophobicContact CD-CB 3.82Å; K225-L363 HydrophobicContact CD-CD2 4.16Å; K225-L363 HydrophobicContact CD-CG 4.4Å; K225-F379 VanDerWaalsContact C-CD1 3.47Å; K225-F379 HydrophobicContact CB-CD1 4.34Å; K225-F379 HydrophobicContact CB-CE1 3.91Å; K225-F379 HydrophobicContact CB-CE2 4.2Å; K225-F379 HydrophobicContact CB-CZ 3.83Å; K225-F379 HydrophobicContact CG-CE1 4.48Å; K225-F379 HydrophobicContact CG-CE2 4.02Å; K225-F379 HydrophobicContact CG-CZ 3.88Å
226	S	98.7	Very high	98.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-77.4	-4.7	-177.2	73.8	0	0	0	0	114.4	C67 R228 N229 N345 D362 L363 I364	C67-S226 PolarHBondContact SG-OG 3.18Å; S226-R228 PolarHBondContact O-N 3.38Å; S226-N229 PolarHBondContact O-ND2 3.32Å; S226-N345 WeakPolarHBondContact CB-ND2 3.49Å; S226-D362 WeakPolarHBondContact CA-O 3.29Å; S226-D362 WeakPolarHBondContact CB-O 3.23Å; S226-D362 PolarHBondContact N-O 3.01Å; S226-D362 PolarHBondContact OG-O 2.78Å; S226-L363 WeakPolarHBondContact OG-CA 3.36Å; S226-I364 PolarHBondContact OG-N 2.88Å; S226-I364 VanDerWaalsContact OG-N 3.17Å
227	A	98.8	Very high	98.4	Very high	8 Å²	8	21 Å²	21	7%	0.066	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-69.4	-7.6	173.1	0	0	0	0	0	113.1	C67 R224 K225 N229 N231 D362	C67-A227 VanDerWaalsContact SG-CA 3.54Å; R224-A227 WeakPolarHBondContact O-CB 3.17Å; R224-A227 PolarHBondContact O-N 3.18Å; K225-A227 VanDerWaalsContact C-N 3.26Å; K225-A227 PolarHBondContact O-N 2.8Å; A227-N229 PolarHBondContact O-ND2 3.06Å; A227-N231 PolarHBondContact O-ND2 2.86Å; A227-D362 HydrophobicContact CB-CB 4.09Å; A227-D362 PolarHBondContact N-O 3.21Å
228	R	98.8	Very high	98.5	Very high	38 Å²	38	15.7 Å²	15.7	14%	0.143	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-65.3	-49.2	175.9	-173.5	-176.7	-57.5	178.5	9.5	112.9	F223 S226 F230 N231 L232 H260 F379	F223-R228 HydrophobicContact CB-CB 3.68Å; F223-R228 HydrophobicContact CB-CG 3.84Å; F223-R228 HydrophobicContact CD2-CB 4.4Å; F223-R228 HydrophobicContact CD2-CG 3.67Å; F223-R228 HydrophobicContact CE2-CG 4.37Å; F223-R228 HydrophobicContact CG-CB 4.05Å; F223-R228 HydrophobicContact CG-CG 3.83Å; S226-R228 PolarHBondContact O-N 3.38Å; R228-F230 PolarHBondContact O-N 2.86Å; R228-N231 WeakPolarHBondContact O-CB 3.27Å; R228-N231 PolarHBondContact O-N 3Å; R228-N231 VanDerWaalsContact O-N 3.16Å; R228-L232 HydrophobicContact CG-CB 4.11Å; R228-L232 HydrophobicContact CG-CD1 4.06Å; R228-L232 PolarHBondContact O-N 2.82Å; R228-H260 PolarHBondContact NH2-CE1 3.14Å; R228-H260 PolarHBondContact NH2-NE2 3.31Å; R228-F379 PolarHBondContact NH1-O 3.06Å; R228-F379 PolarHBondContact NH2-O 3.22Å
229	N	98.8	Very high	98.7	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	18.3	-119.7	174.5	57.6	56.1	0	0	0	116.5	G63 F64 C67 S226 A227 N231 P233 S381 S382	G63-N229 VanDerWaalsContact C-OD1 3.3Å; G63-N229 WeakPolarHBondContact CA-OD1 3.15Å; G63-N229 PolarHBondContact N-OD1 3.44Å; F64-N229 HydrophobicContact CB-CB 3.98Å; F64-N229 PolarHBondContact N-ND2 2.95Å; C67-N229 PolarHBondContact O-ND2 3.02Å; C67-N229 VanDerWaalsContact O-ND2 3.09Å; S226-N229 PolarHBondContact O-ND2 3.32Å; A227-N229 PolarHBondContact O-ND2 3.06Å; N229-N231 VanDerWaalsContact C-N 3.34Å; N229-N231 PolarHBondContact OD1-ND2 2.97Å; N229-P233 WeakPolarHBondContact O-CD 3.48Å; N229-S381 WeakPolarHBondContact O-CA 3.37Å; N229-S382 WeakPolarHBondContact CA-OG 3.37Å; N229-S382 PolarHBondContact O-N 2.89Å
230	F	98.9	Very high	98.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-17.9	179.6	-81.8	-91.6	0	0	0	113.5	N90 Q138 L141 A142 I145 R228 L232 P233 M234 S382	N90-F230 HydrophobicContact CB-CD2 3.7Å; N90-F230 HydrophobicContact CB-CE2 3.53Å; N90-F230 HydrophobicContact CB-CG 4.38Å; N90-F230 HydrophobicContact CB-CZ 4.07Å; N90-F230 VanDerWaalsContact CG-CE2 3.42Å; N90-F230 WeakPolarHBondContact OD1-CE2 3.35Å; Q138-F230 HydrophobicContact CG-CE2 3.94Å; Q138-F230 HydrophobicContact CG-CZ 3.73Å; L141-F230 HydrophobicContact CB-CE1 4.32Å; L141-F230 HydrophobicContact CD2-CE1 3.98Å; L141-F230 HydrophobicContact CD2-CZ 4.23Å; L141-F230 HydrophobicContact CG-CE1 3.9Å; L141-F230 HydrophobicContact CG-CZ 4.48Å; A142-F230 HydrophobicContact CB-CE1 3.75Å; A142-F230 HydrophobicContact CB-CZ 4.07Å; I145-F230 HydrophobicContact CD1-CD1 4.06Å; I145-F230 HydrophobicContact CD1-CE1 4.32Å; R228-F230 PolarHBondContact O-N 2.86Å; F230-L232 VanDerWaalsContact C-N 3.25Å; F230-L232 PolarHBondContact O-N 3Å; F230-P233 VanDerWaalsContact O-CD 3.23Å; F230-P233 WeakPolarHBondContact O-CD 3.38Å; F230-P233 WeakPolarHBondContact O-CG 3.07Å; F230-M234 HydrophobicContact CB-CE 4.02Å; F230-M234 HydrophobicContact CB-SD 4.06Å; F230-M234 HydrophobicContact CD1-CE 3.98Å; F230-M234 HydrophobicContact CG-CE 4.33Å; F230-M234 VanDerWaalsContact O-CB 3.29Å; F230-M234 WeakPolarHBondContact O-CB 3.27Å; F230-M234 WeakPolarHBondContact O-CG 3.23Å; F230-M234 PolarHBondContact O-N 3Å; F230-S382 VanDerWaalsContact CD2-OG 3.28Å; F230-S382 WeakPolarHBondContact CD2-OG 3.43Å; F230-S382 WeakPolarHBondContact CE2-OG 3.41Å; F230-S382 PolarHBondContact N-OG 3.21Å
231	N	98.9	Very high	98.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-54.5	-43.1	178.9	-74.9	-65.9	0	0	0	112.1	G62 G63 G68 V210 K211 F223 A227 R228 N229 C235	G62-N231 WeakPolarHBondContact CA-OD1 3.19Å; G63-N231 PolarHBondContact N-ND2 3.34Å; G68-N231 PolarHBondContact O-ND2 3.08Å; G68-N231 PolarHBondContact O-OD1 2.72Å; V210-N231 HydrophobicContact CG1-CB 3.65Å; V210-N231 WeakPolarHBondContact CG1-OD1 3.34Å; K211-N231 PolarHBondContact N-OD1 3.33Å; K211-N231 VanDerWaalsContact O-CG 3.24Å; K211-N231 PolarHBondContact O-OD1 3.33Å; F223-N231 HydrophobicContact CD1-CB 4.18Å; F223-N231 HydrophobicContact CE1-CB 3.46Å; F223-N231 VanDerWaalsContact CE1-CB 3.46Å; F223-N231 HydrophobicContact CZ-CB 3.93Å; A227-N231 PolarHBondContact O-ND2 2.86Å; R228-N231 WeakPolarHBondContact O-CB 3.27Å; R228-N231 PolarHBondContact O-N 3Å; R228-N231 VanDerWaalsContact O-N 3.16Å; N229-N231 VanDerWaalsContact C-N 3.34Å; N229-N231 PolarHBondContact OD1-ND2 2.97Å; N231-C235 PolarHBondContact O-N 3.33Å; N231-C235 VanDerWaalsContact O-N 3.08Å; N231-C235 PolarHBondContact O-SG 3.31Å
232	L	98.9	Very high	98.8	Very high	14 Å²	14	21.1 Å²	21.1	7%	0.073	10%	0.103	C	C	.	.	H	α-helix	trans	-64.3	-54.6	-178.4	-170.4	157.1	0	0	0	113.5	F223 R228 F230 M234 C235 H260 I261	F223-L232 HydrophobicContact CD2-CB 4.46Å; F223-L232 HydrophobicContact CD2-CD1 4.4Å; F223-L232 HydrophobicContact CE2-CB 3.79Å; F223-L232 HydrophobicContact CE2-CD1 4.18Å; F223-L232 HydrophobicContact CE2-CG 4.08Å; F223-L232 HydrophobicContact CZ-CB 4.25Å; R228-L232 HydrophobicContact CG-CB 4.11Å; R228-L232 HydrophobicContact CG-CD1 4.06Å; R228-L232 PolarHBondContact O-N 2.82Å; F230-L232 VanDerWaalsContact C-N 3.25Å; F230-L232 PolarHBondContact O-N 3Å; L232-M234 VanDerWaalsContact C-N 3.32Å; L232-M234 PolarHBondContact O-N 3.33Å; L232-C235 PolarHBondContact O-N 3.18Å; L232-H260 HydrophobicContact CD1-CB 4.21Å; L232-I261 HydrophobicContact CD2-CD1 4.22Å; L232-I261 HydrophobicContact CG-CD1 3.81Å; L232-I261 HydrophobicContact CG-CG1 4.24Å
233	P	98.8	Very high	98.8	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-65.4	-35.4	177.9	22.9	-32.9	0	0	0	112.1	I145 N229 F230 C235 K236 D383	I145-P233 HydrophobicContact CG2-CB 4.03Å; N229-P233 WeakPolarHBondContact O-CD 3.48Å; F230-P233 VanDerWaalsContact O-CD 3.23Å; F230-P233 WeakPolarHBondContact O-CD 3.38Å; F230-P233 WeakPolarHBondContact O-CG 3.07Å; P233-C235 VanDerWaalsContact C-N 3.34Å; P233-C235 PolarHBondContact O-N 2.95Å; P233-K236 PolarHBondContact O-N 2.81Å; P233-D383 HydrophobicContact CB-CB 4.34Å; P233-D383 WeakPolarHBondContact CD-OD1 3.36Å; P233-D383 HydrophobicContact CG-CB 4.47Å; P233-D383 WeakPolarHBondContact CG-OD1 3.33Å
234	M	98.8	Very high	98.8	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.9	-30.3	179.9	-71.7	178.4	172.3	0	0	113.7	L60 V61 G62 V88 I145 A208 V210 F230 L232 K236 A237	L60-M234 HydrophobicContact CB-CB 4.14Å; L60-M234 HydrophobicContact CB-CG 3.96Å; L60-M234 HydrophobicContact CB-SD 4.05Å; L60-M234 HydrophobicContact CD1-CB 4.29Å; L60-M234 HydrophobicContact CD1-CG 4.26Å; V61-M234 VanDerWaalsContact O-SD 3.42Å; G62-M234 VanDerWaalsContact CA-SD 3.54Å; G62-M234 PolarHBondContact N-SD 3.01Å; G62-M234 VanDerWaalsContact N-SD 3.4Å; V88-M234 WeakPolarHBondContact O-CE 3.33Å; I145-M234 HydrophobicContact CD1-CE 3.6Å; I145-M234 HydrophobicContact CD1-CG 4.06Å; I145-M234 HydrophobicContact CG2-CB 4.48Å; I145-M234 HydrophobicContact CG2-CG 3.91Å; A208-M234 WeakPolarHBondContact CB-O 3.21Å; V210-M234 HydrophobicContact CG2-CB 4.21Å; F230-M234 HydrophobicContact CB-CE 4.02Å; F230-M234 HydrophobicContact CB-SD 4.06Å; F230-M234 HydrophobicContact CD1-CE 3.98Å; F230-M234 HydrophobicContact CG-CE 4.33Å; F230-M234 VanDerWaalsContact O-CB 3.29Å; F230-M234 WeakPolarHBondContact O-CB 3.27Å; F230-M234 WeakPolarHBondContact O-CG 3.23Å; F230-M234 PolarHBondContact O-N 3Å; L232-M234 VanDerWaalsContact C-N 3.32Å; L232-M234 PolarHBondContact O-N 3.33Å; M234-K236 PolarHBondContact O-N 2.9Å; M234-A237 PolarHBondContact O-N 3.42Å
235	C	98.6	Very high	98.8	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	9%	0.085	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-26	173.3	-86.9	0	0	0	0	113.6	V210 N231 L232 P233 T241 I261	V210-C235 WeakPolarHBondContact CG1-SG 3.11Å; N231-C235 PolarHBondContact O-N 3.33Å; N231-C235 VanDerWaalsContact O-N 3.08Å; N231-C235 PolarHBondContact O-SG 3.31Å; L232-C235 PolarHBondContact O-N 3.18Å; P233-C235 VanDerWaalsContact C-N 3.34Å; P233-C235 PolarHBondContact O-N 2.95Å; C235-T241 HydrophobicContact CB-CG2 4.26Å; C235-T241 PolarHBondContact O-OG1 3.11Å; C235-I261 HydrophobicContact CB-CD1 3.88Å; C235-I261 HydrophobicContact CB-CG1 4.19Å; C235-I261 HydrophobicContact CB-CG2 4.26Å
236	K	98.8	Very high	98.8	Very high	66 Å²	66	16 Å²	16	29%	0.287	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-12.7	-169.1	-54.6	174.6	-173.9	174.5	0	113.2	G149 P233 M234 I261 Y265	G149-K236 WeakPolarHBondContact CA-O 3.37Å; P233-K236 PolarHBondContact O-N 2.81Å; M234-K236 PolarHBondContact O-N 2.9Å; K236-I261 VanDerWaalsContact CE-CD1 3.44Å; K236-I261 HydrophobicContact CG-CD1 4.28Å; K236-Y265 HydrophobicContact CB-CD1 4.01Å; K236-Y265 HydrophobicContact CB-CE1 4.11Å; K236-Y265 HydrophobicContact CG-CD1 3.88Å; K236-Y265 HydrophobicContact CG-CD2 4.31Å; K236-Y265 HydrophobicContact CG-CE1 4.03Å; K236-Y265 HydrophobicContact CG-CE2 4.45Å; K236-Y265 HydrophobicContact CG-CG 4.02Å
237	A	98.8	Very high	98.8	Very high	3 Å²	3	19.6 Å²	19.6	3%	0.025	10%	0.1	C	C	.	.	S	Bend	trans	-114.5	26.8	-163.1	0	0	0	0	0	113.3	L60 I145 T204 G205 M234	L60-A237 HydrophobicContact CD1-CB 3.76Å; L60-A237 WeakPolarHBondContact CD1-O 3.41Å; I145-A237 HydrophobicContact CG2-CB 3.68Å; I145-A237 VanDerWaalsContact O-CB 3.25Å; I145-A237 WeakPolarHBondContact O-CB 3.24Å; T204-A237 CarbonylContact C-O 3.55Å; T204-A237 WeakPolarHBondContact CA-O 3.2Å; G205-A237 PolarHBondContact N-O 3.02Å; M234-A237 PolarHBondContact O-N 3.42Å
238	A	98.8	Very high	98.8	Very high	14 Å²	14	21.6 Å²	21.6	12%	0.116	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	153.3	177	0	0	0	0	0	112.9	L60 G205 A208 T240	L60-A238 HydrophobicContact CD1-CB 4.4Å; G205-A238 WeakPolarHBondContact O-CA 3.35Å; G205-A238 WeakPolarHBondContact O-CB 3.38Å; A208-A238 HydrophobicContact CB-CB 3.62Å; A238-T240 VanDerWaalsContact C-N 3.29Å; A238-T240 PolarHBondContact O-N 3.15Å
239	D	98.7	Very high	98.8	Very high	122 Å²	122	20.7 Å²	20.7	65%	0.652	11%	0.107	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-64.3	-36.5	177.1	-67.7	-18.2	0	0	0	111.4	G205	G205-D239 PolarHBondContact O-N 3Å; G205-D239 VanDerWaalsContact O-N 3.12Å
240	T	98.8	Very high	98.7	Very high	29 Å²	29	25.6 Å²	25.6	18%	0.178	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	119.5	173	-65.2	0	0	0	0	112.1	D206 F207 A208 A238 V242 H267 R268	D206-T240 PolarHBondContact O-N 3.21Å; F207-T240 CarbonylContact C-O 3.59Å; F207-T240 WeakPolarHBondContact CA-O 3.17Å; F207-T240 HydrophobicContact CD1-CG2 3.69Å; F207-T240 HydrophobicContact CE1-CG2 3.61Å; A208-T240 PolarHBondContact N-O 3.39Å; A238-T240 VanDerWaalsContact C-N 3.29Å; A238-T240 PolarHBondContact O-N 3.15Å; T240-V242 HydrophobicContact CG2-CG2 4.23Å; T240-H267 HydrophobicContact CG2-CB 4.37Å; T240-R268 HydrophobicContact CG2-CG 4.33Å
241	T	98.9	Very high	98.6	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.2	178.7	-53.5	0	0	0	0	109.9	A208 C235 V243 Y265 H267 R268	A208-T241 HydrophobicContact CB-CG2 4.3Å; C235-T241 HydrophobicContact CB-CG2 4.26Å; C235-T241 PolarHBondContact O-OG1 3.11Å; T241-V243 HydrophobicContact CG2-CG2 3.86Å; T241-Y265 WeakPolarHBondContact CB-O 3.44Å; T241-Y265 PolarHBondContact OG1-O 2.78Å; T241-H267 PolarHBondContact N-ND1 3.42Å; T241-H267 WeakPolarHBondContact O-CB 3.22Å; T241-H267 PolarHBondContact O-N 3.46Å; T241-R268 PolarHBondContact O-N 3.27Å
242	V	98.9	Very high	98.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	113.3	176.5	-166	0	0	0	0	108.7	A49 V50 L73 F207 A208 L209 V210 T240 R268	A49-V242 HydrophobicContact CB-CG1 3.89Å; V50-V242 HydrophobicContact CG1-CG1 4.44Å; L73-V242 HydrophobicContact CD1-CB 4.2Å; L73-V242 HydrophobicContact CD1-CG1 3.86Å; L73-V242 WeakPolarHBondContact CD1-O 3.44Å; L73-V242 HydrophobicContact CD2-CG1 3.62Å; L73-V242 HydrophobicContact CG-CG1 4.42Å; F207-V242 HydrophobicContact CD1-CG2 4.45Å; A208-V242 PolarHBondContact O-N 2.88Å; L209-V242 HydrophobicContact CD2-CB 4.01Å; L209-V242 HydrophobicContact CD2-CG2 4.24Å; V210-V242 PolarHBondContact N-O 3.49Å; T240-V242 HydrophobicContact CG2-CG2 4.23Å; V242-R268 WeakPolarHBondContact CA-O 3.38Å; V242-R268 HydrophobicContact CB-CB 4.33Å; V242-R268 HydrophobicContact CG1-CB 4.01Å; V242-R268 HydrophobicContact CG2-CB 4.17Å; V242-R268 HydrophobicContact CG2-CG 4.37Å
243	V	98.9	Very high	98.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	123.3	-178.1	-174.7	0	0	0	0	109.9	V210 A212 V221 T241 V245 V266 R268 L269 I270	V210-V243 HydrophobicContact CB-CG2 4.31Å; V210-V243 HydrophobicContact CG1-CG1 4.44Å; V210-V243 HydrophobicContact CG1-CG2 4.5Å; V210-V243 CarbonylContact O-C 3.54Å; V210-V243 WeakPolarHBondContact O-CA 3.08Å; A212-V243 HydrophobicContact CB-CG1 4.02Å; V221-V243 HydrophobicContact CG1-CG1 4.37Å; V221-V243 HydrophobicContact CG2-CG1 4.16Å; T241-V243 HydrophobicContact CG2-CG2 3.86Å; V243-V245 HydrophobicContact CG1-CG1 3.95Å; V243-V266 HydrophobicContact CB-CG1 4.16Å; V243-V266 HydrophobicContact CG2-CG1 3.78Å; V243-V266 HydrophobicContact CG2-CG2 4.21Å; V243-R268 PolarHBondContact N-O 3.13Å; V243-L269 WeakPolarHBondContact O-CA 3.35Å; V243-I270 PolarHBondContact O-N 3.19Å
244	E	98.8	Very high	98.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.3	165	64.7	171.6	-129.5	0	0	111.5	P70 E71 N72 L73 V210 K211 A212 I270 Y275	P70-E244 VanDerWaalsContact C-CD 3.45Å; P70-E244 WeakPolarHBondContact CA-OE1 3.33Å; P70-E244 HydrophobicContact CB-CG 3.93Å; E71-E244 PolarHBondContact N-OE1 3.46Å; N72-E244 WeakPolarHBondContact CA-OE2 3.45Å; N72-E244 VanDerWaalsContact CB-OE2 3.25Å; N72-E244 WeakPolarHBondContact CB-OE2 3.46Å; N72-E244 PolarHBondContact N-OE1 3.49Å; N72-E244 PolarHBondContact N-OE2 3.49Å; L73-E244 HydrophobicContact CD1-CB 3.96Å; L73-E244 HydrophobicContact CD1-CG 3.97Å; L73-E244 HydrophobicContact CG-CB 4.1Å; L73-E244 HydrophobicContact CG-CG 4.22Å; L73-E244 WeakPolarHBondContact CG-OE2 3.25Å; L73-E244 PolarHBondContact N-OE2 3.33Å; V210-E244 PolarHBondContact O-N 3.27Å; K211-E244 HydrophobicContact CB-CG 4.36Å; K211-E244 HydrophobicContact CD-CG 3.77Å; K211-E244 WeakPolarHBondContact CD-OE1 3.49Å; A212-E244 PolarHBondContact N-O 3Å; E244-I270 CarbonylContact C-O 3.52Å; E244-I270 VanDerWaalsContact CA-O 3.28Å; E244-I270 WeakPolarHBondContact CA-O 3.45Å; E244-I270 HydrophobicContact CB-CG2 3.78Å; E244-Y275 WeakPolarHBondContact OE1-CE1 3.41Å
245	V	98.9	Very high	98.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	156.9	179.7	-58.8	0	0	0	0	112.4	A212 A215 V243 E247 I248 L269 I270 K271 G272 Y275	A212-V245 HydrophobicContact CB-CG1 4.11Å; A212-V245 WeakPolarHBondContact O-CA 3.41Å; A215-V245 HydrophobicContact CB-CG1 3.89Å; A215-V245 HydrophobicContact CB-CG2 4.24Å; V243-V245 HydrophobicContact CG1-CG1 3.95Å; V245-E247 WeakPolarHBondContact CG2-O 3.39Å; V245-I248 HydrophobicContact CG2-CG1 3.81Å; V245-L269 HydrophobicContact CG2-CD2 3.86Å; V245-I270 PolarHBondContact N-O 3.02Å; V245-K271 WeakPolarHBondContact O-CA 3.38Å; V245-G272 PolarHBondContact O-N 3.5Å; V245-Y275 PolarHBondContact N-OH 3.49Å; V245-Y275 PolarHBondContact O-OH 3.36Å
246	E	98.7	Very high	98.2	Very high	41 Å²	41	43.2 Å²	43.2	19%	0.192	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-34.1	173.7	-70.5	166.5	-136.2	0	0	111.4	K211 W213 K271 Y275 K277	K211-E246 IonicContact NZ-OE1 2.68Å; K211-E246 PolarHBondContact NZ-OE1 2.76Å; W213-E246 WeakPolarHBondContact O-CB 3.28Å; W213-E246 PolarHBondContact O-N 2.91Å; E246-K271 VanDerWaalsContact O-CE 3.23Å; E246-K271 WeakPolarHBondContact O-CE 3.39Å; E246-Y275 HydrophobicContact CB-CD2 4.49Å; E246-Y275 HydrophobicContact CB-CE2 4.18Å; E246-Y275 HydrophobicContact CG-CD2 3.69Å; E246-Y275 HydrophobicContact CG-CE2 3.6Å; E246-Y275 HydrophobicContact CG-CG 4.16Å; E246-K277 VanDerWaalsContact CD-CE 3.43Å; E246-K277 WeakPolarHBondContact OE1-CE 3.38Å; E246-K277 IonicContact OE1-NZ 3.85Å; E246-K277 PolarHBondContact OE1-NZ 2.82Å; E246-K277 WeakPolarHBondContact OE2-CE 3.5Å; E246-K277 IonicContact OE2-NZ 2.88Å; E246-K277 PolarHBondContact OE2-NZ 3.45Å
247	E	98.5	Very high	98.2	Very high	76 Å²	76	47.5 Å²	47.5	36%	0.355	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	139.9	-173.9	-163.5	-176.3	135	0	0	111.4	W213 K214 A215 V245 V249	W213-E247 PolarHBondContact O-N 3.28Å; K214-E247 VanDerWaalsContact CA-O 3.28Å; K214-E247 WeakPolarHBondContact CA-O 3.4Å; K214-E247 HydrophobicContact CD-CB 4.24Å; K214-E247 WeakPolarHBondContact CE-OE2 3.41Å; K214-E247 HydrophobicContact CG-CB 4.03Å; K214-E247 IonicContact NZ-OE1 3.08Å; K214-E247 PolarHBondContact NZ-OE1 3.42Å; K214-E247 IonicContact NZ-OE2 2.69Å; K214-E247 PolarHBondContact NZ-OE2 3.38Å; A215-E247 PolarHBondContact N-O 2.79Å; V245-E247 WeakPolarHBondContact CG2-O 3.39Å; E247-V249 HydrophobicContact CG-CG1 4.11Å; E247-V249 WeakPolarHBondContact OE1-CG1 3.15Å
248	I	98.6	Very high	98.1	Very high	50 Å²	50	52 Å²	52	26%	0.256	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	124	168.7	-61.6	173.1	0	0	0	107.5	F42 A215 R217 V245 L269 K271	F42-I248 HydrophobicContact CD1-CD1 3.99Å; F42-I248 HydrophobicContact CE1-CD1 4.09Å; F42-I248 HydrophobicContact CE1-CG2 4.27Å; A215-I248 CarbonylContact O-C 3.51Å; A215-I248 VanDerWaalsContact O-CA 3.25Å; A215-I248 WeakPolarHBondContact O-CA 3.43Å; R217-I248 HydrophobicContact CG-CG2 4.16Å; V245-I248 HydrophobicContact CG2-CG1 3.81Å; I248-L269 HydrophobicContact CD1-CD2 3.83Å; I248-L269 HydrophobicContact CG1-CD2 4.04Å; I248-K271 HydrophobicContact CD1-CB 3.91Å; I248-K271 HydrophobicContact CG1-CB 4.24Å
249	V	98.6	Very high	98.1	Very high	19 Å²	19	53.2 Å²	53.2	12%	0.115	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	167.5	-178.5	-60.5	0	0	0	0	111.5	K214 A215 D216 R217 E247 A253 F254	K214-V249 HydrophobicContact CD-CG1 4.01Å; A215-V249 WeakPolarHBondContact O-CG2 3.19Å; A215-V249 PolarHBondContact O-N 2.87Å; D216-V249 CarbonylContact C-O 3.47Å; D216-V249 VanDerWaalsContact CA-O 3.27Å; D216-V249 WeakPolarHBondContact CA-O 3.28Å; D216-V249 HydrophobicContact CB-CG2 4.12Å; R217-V249 WeakPolarHBondContact CG-O 3.27Å; R217-V249 PolarHBondContact N-O 3.44Å; E247-V249 HydrophobicContact CG-CG1 4.11Å; E247-V249 WeakPolarHBondContact OE1-CG1 3.15Å; V249-A253 HydrophobicContact CB-CB 3.88Å; V249-A253 HydrophobicContact CG2-CB 3.59Å; V249-F254 HydrophobicContact CG2-CE1 3.79Å; V249-F254 HydrophobicContact CG2-CE2 3.91Å; V249-F254 HydrophobicContact CG2-CZ 3.35Å
250	D	97.8	Very high	98.1	Very high	102 Å²	102	49.8 Å²	49.8	55%	0.545	29%	0.289	S	S	.	.			trans	-74.7	156.7	177.2	-66.3	-33.4	0	0	0	112.3	R217 G252 A253	R217-D250 IonicContact CZ-OD1 3.68Å; R217-D250 IonicContact NE-OD1 2.77Å; R217-D250 PolarHBondContact NE-OD1 3.37Å; R217-D250 IonicContact NH2-OD1 3.68Å; D250-G252 PolarHBondContact O-N 3.39Å; D250-A253 WeakPolarHBondContact O-CB 3.22Å; D250-A253 PolarHBondContact O-N 2.86Å; D250-A253 VanDerWaalsContact O-N 3.16Å
251	I	96.3	Very high	98.1	Very high	92 Å²	92	48.4 Å²	48.4	47%	0.472	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	134.6	176.5	-65.5	166.9	0	0	0	109	R38 R217 A218	R38-I251 VanDerWaalsContact CZ-CD1 3.5Å; R38-I251 VanDerWaalsContact NH2-CD1 3.34Å; R217-I251 HydrophobicContact CB-CD1 4.27Å; R217-I251 HydrophobicContact CB-CG1 4.06Å; A218-I251 HydrophobicContact CB-CD1 4.05Å; A218-I251 HydrophobicContact CB-CG1 4.06Å
252	G	94.9	Very high	98.1	Very high	66 Å²	66	51.1 Å²	51.1	68%	0.68	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	-1.5	-174.6	0	0	0	0	0	114.1	D250 F254	D250-G252 PolarHBondContact O-N 3.39Å; G252-F254 PolarHBondContact O-N 3.47Å
253	A	97.8	Very high	98	Very high	63 Å²	63	53.7 Å²	53.7	52%	0.521	31%	0.31	S	S	.	.	S	Bend	trans	-69.2	-22.1	172.2	0	0	0	0	0	113.5	V249 D250	V249-A253 HydrophobicContact CB-CB 3.88Å; V249-A253 HydrophobicContact CG2-CB 3.59Å; D250-A253 WeakPolarHBondContact O-CB 3.22Å; D250-A253 PolarHBondContact O-N 2.86Å; D250-A253 VanDerWaalsContact O-N 3.16Å
254	F	97.4	Very high	97.9	Very high	26 Å²	26	59.4 Å²	59.4	11%	0.114	34%	0.34	C	S	.	.	S	Bend	trans	-106.9	140.1	173.9	-48.8	-43.6	0	0	0	109.6	K214 D216 I222 V249 G252 I259	K214-F254 HydrophobicContact CB-CE1 4.18Å; K214-F254 HydrophobicContact CB-CZ 3.68Å; K214-F254 HydrophobicContact CD-CE1 4.36Å; D216-F254 HydrophobicContact CB-CD2 4.16Å; D216-F254 HydrophobicContact CB-CE2 3.87Å; I222-F254 HydrophobicContact CD1-CD1 3.89Å; I222-F254 HydrophobicContact CD1-CE1 3.43Å; I222-F254 VanDerWaalsContact CD1-CE1 3.43Å; I222-F254 HydrophobicContact CD1-CZ 3.96Å; I222-F254 HydrophobicContact CG1-CD1 4.49Å; I222-F254 HydrophobicContact CG1-CE1 3.9Å; I222-F254 HydrophobicContact CG1-CE2 4.45Å; I222-F254 HydrophobicContact CG1-CZ 3.88Å; I222-F254 HydrophobicContact CG2-CD1 4.48Å; I222-F254 HydrophobicContact CG2-CD2 4.36Å; I222-F254 HydrophobicContact CG2-CE2 4.47Å; I222-F254 HydrophobicContact CG2-CG 4.36Å; V249-F254 HydrophobicContact CG2-CE1 3.79Å; V249-F254 HydrophobicContact CG2-CE2 3.91Å; V249-F254 HydrophobicContact CG2-CZ 3.35Å; G252-F254 PolarHBondContact O-N 3.47Å; F254-I259 HydrophobicContact CB-CG1 4.21Å
255	A	98.3	Very high	97.9	Very high	35 Å²	35	63.4 Å²	63.4	29%	0.289	36%	0.355	S	S	.	.			trans	-62.6	135.1	161.6	0	0	0	0	0	108.2	E257 D258	A255-E257 HydrophobicContact CB-CG 4.14Å; A255-E257 PolarHBondContact O-N 3.09Å; A255-E257 VanDerWaalsContact O-N 3.15Å; A255-D258 HydrophobicContact CB-CB 4.38Å; A255-D258 PolarHBondContact O-N 3.23Å
256	P	97.5	Very high	97.8	Very high	104 Å²	104	63.4 Å²	63.4	68%	0.675	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-54.3	-33.5	-178	-29.2	36.2	0	0	0	114.3	D258	P256-D258 VanDerWaalsContact C-N 3.3Å; P256-D258 PolarHBondContact O-N 2.92Å
257	E	98.1	Very high	97.8	Very high	155 Å²	155	64.9 Å²	64.9	72%	0.724	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-69.9	-20.3	177.3	60.2	-92.2	-139.6	0	0	114.3	A255	A255-E257 HydrophobicContact CB-CG 4.14Å; A255-E257 PolarHBondContact O-N 3.09Å; A255-E257 VanDerWaalsContact O-N 3.15Å
258	D	97.9	Very high	97.8	Very high	99 Å²	99	62.6 Å²	62.6	53%	0.529	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-93.8	-3	-178.6	-68	-25.7	0	0	0	112.7	I222 A255 P256 H260	I222-D258 WeakPolarHBondContact CG2-O 3.25Å; A255-D258 HydrophobicContact CB-CB 4.38Å; A255-D258 PolarHBondContact O-N 3.23Å; P256-D258 VanDerWaalsContact C-N 3.3Å; P256-D258 PolarHBondContact O-N 2.92Å; D258-H260 PolarHBondContact O-CD2 2.7Å; D258-H260 PolarHBondContact O-N 2.82Å
259	I	98.6	Very high	97.8	Very high	38 Å²	38	60.2 Å²	60.2	20%	0.195	34%	0.338	C	S	.	.			trans	-69.5	116.7	177.4	-67	168.4	0	0	0	109.3	N220 F254 I261 P262	N220-I259 HydrophobicContact CB-CD1 3.81Å; N220-I259 HydrophobicContact CB-CG1 4.07Å; N220-I259 HydrophobicContact CB-CG2 3.84Å; F254-I259 HydrophobicContact CB-CG1 4.21Å; I259-I261 VanDerWaalsContact CG2-C 3.48Å; I259-I261 WeakPolarHBondContact CG2-O 3.48Å; I259-P262 HydrophobicContact CG2-CG 4.47Å
260	H	98.8	Very high	97.8	Very high	51 Å²	51	59.3 Å²	59.3	24%	0.236	33%	0.333	C	S	.	.	S	Bend	trans	-78.1	-39.1	177.9	-58.9	155.3	0	0	0	112.7	V221 F223 R228 L232 D258	V221-H260 PolarHBondContact O-N 2.79Å; F223-H260 HydrophobicContact CD2-CB 3.71Å; F223-H260 AromaticContact CD2-ND1 3.58Å; F223-H260 HydrophobicContact CE2-CB 4.07Å; F223-H260 PolarHBondContact N-ND1 3.45Å; F223-H260 PolarHBondContact O-CE1 3.46Å; R228-H260 PolarHBondContact NH2-CE1 3.14Å; R228-H260 PolarHBondContact NH2-NE2 3.31Å; L232-H260 HydrophobicContact CD1-CB 4.21Å; D258-H260 PolarHBondContact O-CD2 2.7Å; D258-H260 PolarHBondContact O-N 2.82Å
261	I	98.6	Very high	97.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	-127.4	110.9	176.5	-67.7	-68.1	0	0	0	108.8	V221 F223 L232 C235 K236 I259 Y265 V266	V221-I261 HydrophobicContact CB-CB 4.17Å; V221-I261 PolarHBondContact N-O 3.08Å; V221-I261 PolarHBondContact O-N 2.94Å; F223-I261 HydrophobicContact CE2-CG1 3.69Å; F223-I261 HydrophobicContact CZ-CG1 4.06Å; L232-I261 HydrophobicContact CD2-CD1 4.22Å; L232-I261 HydrophobicContact CG-CD1 3.81Å; L232-I261 HydrophobicContact CG-CG1 4.24Å; C235-I261 HydrophobicContact CB-CD1 3.88Å; C235-I261 HydrophobicContact CB-CG1 4.19Å; C235-I261 HydrophobicContact CB-CG2 4.26Å; K236-I261 VanDerWaalsContact CE-CD1 3.44Å; K236-I261 HydrophobicContact CG-CD1 4.28Å; I259-I261 VanDerWaalsContact CG2-C 3.48Å; I259-I261 WeakPolarHBondContact CG2-O 3.48Å; I261-Y265 HydrophobicContact CG2-CD2 4.36Å; I261-V266 HydrophobicContact CG2-CG2 3.78Å
262	P	98.1	Very high	97.9	Very high	57 Å²	57	56.1 Å²	56.1	37%	0.37	31%	0.312	S	S	.	.			trans	-62.2	146.9	171.4	-23.3	34	0	0	0	111.5	I259 I264 Y265	I259-P262 HydrophobicContact CG2-CG 4.47Å; P262-I264 HydrophobicContact CB-CG2 4.31Å; P262-I264 PolarHBondContact O-N 3.18Å; P262-Y265 PolarHBondContact O-N 3.1Å
263	Q	96.9	Very high	97.7	Very high	53 Å²	53	61.7 Å²	61.7	25%	0.248	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-52.4	-21.1	-176.8	60.2	156.7	16.8	0	0	115.3	A218 G219 N220 Y265 V266	A218-Q263 WeakPolarHBondContact O-CB 3.48Å; A218-Q263 PolarHBondContact O-OE1 2.79Å; G219-Q263 WeakPolarHBondContact O-CA 3.39Å; N220-Q263 PolarHBondContact OD1-N 3.47Å; Q263-Y265 PolarHBondContact O-N 3.34Å; Q263-V266 PolarHBondContact O-N 3.25Å
264	I	96.5	Very high	97.5	Very high	120 Å²	120	65.8 Å²	65.8	62%	0.615	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-62.4	-27.4	-178.6	-165.9	167.4	0	0	0	113	P262	P262-I264 HydrophobicContact CB-CG2 4.31Å; P262-I264 PolarHBondContact O-N 3.18Å
265	Y	98.4	Very high	97.4	Very high	84 Å²	84	66.8 Å²	66.8	33%	0.329	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-89	-4.4	178.3	-59.9	-70.4	0	0	0	112.9	K236 T241 I261 P262 Q263	K236-Y265 HydrophobicContact CB-CD1 4.01Å; K236-Y265 HydrophobicContact CB-CE1 4.11Å; K236-Y265 HydrophobicContact CG-CD1 3.88Å; K236-Y265 HydrophobicContact CG-CD2 4.31Å; K236-Y265 HydrophobicContact CG-CE1 4.03Å; K236-Y265 HydrophobicContact CG-CE2 4.45Å; K236-Y265 HydrophobicContact CG-CG 4.02Å; T241-Y265 WeakPolarHBondContact CB-O 3.44Å; T241-Y265 PolarHBondContact OG1-O 2.78Å; I261-Y265 HydrophobicContact CG2-CD2 4.36Å; P262-Y265 PolarHBondContact O-N 3.1Å; Q263-Y265 PolarHBondContact O-N 3.34Å
266	V	98.4	Very high	97.4	Very high	1 Å²	1	69.6 Å²	69.6	1%	0.006	34%	0.337	C	S	.	.			trans	-107.9	99.8	-172.3	-172.8	0	0	0	0	109.4	T40 G219 V221 V243 I261 Q263 L269	T40-V266 WeakPolarHBondContact CA-O 3.4Å; T40-V266 HydrophobicContact CG2-CB 4.42Å; T40-V266 HydrophobicContact CG2-CG1 3.86Å; T40-V266 PolarHBondContact OG1-O 2.94Å; G219-V266 WeakPolarHBondContact O-CG2 3.49Å; V221-V266 HydrophobicContact CG2-CG2 3.99Å; V243-V266 HydrophobicContact CB-CG1 4.16Å; V243-V266 HydrophobicContact CG2-CG1 3.78Å; V243-V266 HydrophobicContact CG2-CG2 4.21Å; I261-V266 HydrophobicContact CG2-CG2 3.78Å; Q263-V266 PolarHBondContact O-N 3.25Å; V266-L269 HydrophobicContact CG1-CB 4.28Å; V266-L269 HydrophobicContact CG1-CD1 4.09Å
267	H	98.6	Very high	97.2	Very high	71 Å²	71	67.6 Å²	67.6	33%	0.329	32%	0.318	S	S	.	.	S	Bend	trans	-82.6	-42.1	-177.3	-59	103.6	0	0	0	111.7	K41 T240 T241	K41-H267 PolarHBondContact N-O 3.12Å; T240-H267 HydrophobicContact CG2-CB 4.37Å; T241-H267 PolarHBondContact N-ND1 3.42Å; T241-H267 WeakPolarHBondContact O-CB 3.22Å; T241-H267 PolarHBondContact O-N 3.46Å
268	R	98.7	Very high	97.2	Very high	28 Å²	28	63.4 Å²	63.4	11%	0.106	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	137	-179	-51.4	-175.9	-169.5	174.9	0.1	109.6	K41 Y43 A49 D52 T240 T241 V242 V243	K41-R268 CarbonylContact O-C 3.52Å; K41-R268 WeakPolarHBondContact O-CA 3.37Å; Y43-R268 HydrophobicContact CD2-CB 4.02Å; Y43-R268 HydrophobicContact CD2-CG 4.45Å; Y43-R268 HydrophobicContact CE2-CB 3.8Å; Y43-R268 HydrophobicContact CE2-CG 3.73Å; A49-R268 WeakPolarHBondContact O-CD 3.24Å; A49-R268 PolarHBondContact O-NH1 3.43Å; D52-R268 IonicContact OD1-CZ 3.09Å; D52-R268 IonicContact OD1-NH1 2.91Å; D52-R268 PolarHBondContact OD1-NH1 3.23Å; D52-R268 IonicContact OD1-NH2 2.68Å; D52-R268 PolarHBondContact OD1-NH2 3.3Å; D52-R268 IonicContact OD2-CZ 3.64Å; D52-R268 IonicContact OD2-NH1 2.77Å; D52-R268 PolarHBondContact OD2-NH1 3.03Å; D52-R268 IonicContact OD2-NH2 2.81Å; D52-R268 PolarHBondContact OD2-NH2 2.79Å; T240-R268 HydrophobicContact CG2-CG 4.33Å; T241-R268 PolarHBondContact O-N 3.27Å; V242-R268 WeakPolarHBondContact CA-O 3.38Å; V242-R268 HydrophobicContact CB-CB 4.33Å; V242-R268 HydrophobicContact CG1-CB 4.01Å; V242-R268 HydrophobicContact CG2-CB 4.17Å; V242-R268 HydrophobicContact CG2-CG 4.37Å; V243-R268 PolarHBondContact N-O 3.13Å
269	L	98.8	Very high	97.1	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	133	-178.1	-160.8	153.4	0	0	0	110.6	T40 K41 F42 Y43 A215 V221 V243 V245 I248 V266	T40-L269 HydrophobicContact CG2-CB 3.64Å; T40-L269 HydrophobicContact CG2-CD1 4.08Å; K41-L269 PolarHBondContact O-N 3.48Å; F42-L269 CarbonylContact C-O 3.56Å; F42-L269 WeakPolarHBondContact CA-O 3.25Å; F42-L269 HydrophobicContact CD1-CB 4.23Å; F42-L269 HydrophobicContact CD1-CD2 3.88Å; F42-L269 HydrophobicContact CE1-CB 4.27Å; F42-L269 HydrophobicContact CE1-CD1 4.12Å; F42-L269 HydrophobicContact CE1-CD2 3.7Å; F42-L269 HydrophobicContact CE1-CG 4.24Å; F42-L269 HydrophobicContact CZ-CD1 4.36Å; Y43-L269 PolarHBondContact N-O 2.62Å; A215-L269 HydrophobicContact CB-CD1 3.31Å; A215-L269 HydrophobicContact CB-CD2 4.13Å; A215-L269 HydrophobicContact CB-CG 4.24Å; V221-L269 HydrophobicContact CG2-CD1 4.44Å; V243-L269 WeakPolarHBondContact O-CA 3.35Å; V245-L269 HydrophobicContact CG2-CD2 3.86Å; I248-L269 HydrophobicContact CD1-CD2 3.83Å; I248-L269 HydrophobicContact CG1-CD2 4.04Å; V266-L269 HydrophobicContact CG1-CB 4.28Å; V266-L269 HydrophobicContact CG1-CD1 4.09Å
270	I	98.5	Very high	96.9	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.6	175.5	-174.7	158.6	0	0	0	111.4	P46 L73 V243 E244 V245	P46-I270 VanDerWaalsContact CA-CD1 3.46Å; P46-I270 HydrophobicContact CB-CD1 4.01Å; P46-I270 VanDerWaalsContact CD-CD1 3.43Å; P46-I270 HydrophobicContact CG-CD1 3.54Å; L73-I270 HydrophobicContact CD2-CG2 4.08Å; V243-I270 PolarHBondContact O-N 3.19Å; E244-I270 CarbonylContact C-O 3.52Å; E244-I270 VanDerWaalsContact CA-O 3.28Å; E244-I270 WeakPolarHBondContact CA-O 3.45Å; E244-I270 HydrophobicContact CB-CG2 3.78Å; V245-I270 PolarHBondContact N-O 3.02Å
271	K	98.6	Very high	96.7	Very high	121 Å²	121	63.8 Å²	63.8	53%	0.526	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	115.9	164.1	-176	-175.3	175	-175	0	108	V245 E246 I248	V245-K271 WeakPolarHBondContact O-CA 3.38Å; E246-K271 VanDerWaalsContact O-CE 3.23Å; E246-K271 WeakPolarHBondContact O-CE 3.39Å; I248-K271 HydrophobicContact CD1-CB 3.91Å; I248-K271 HydrophobicContact CG1-CB 4.24Å
272	G	96.5	Very high	96.6	Very high	6 Å²	6	68.2 Å²	68.2	6%	0.062	31%	0.314	C	S	.	.			trans	-59.8	142.9	177	0	0	0	0	0	111.3	V245 Y275	V245-G272 PolarHBondContact O-N 3.5Å; G272-Y275 WeakPolarHBondContact CA-OH 3.47Å; G272-Y275 PolarHBondContact N-OH 3.43Å
273	E	91.4	Very high	96.4	Very high	183 Å²	183	66.5 Å²	66.5	86%	0.855	30%	0.303	S	S	*	.	S	Bend	trans	-75.6	-42.3	-176.5	-175.7	-179.9	-177	0	0	110.9	N72	N72-E273 PolarHBondContact OD1-N 2.78Å
274	K	92.6	Very high	96.3	Very high	149 Å²	149	67.1 Å²	67.1	65%	0.648	31%	0.308	S	S	*	.			trans	-138.6	145.1	-178.2	-172.6	178	175.8	-171.6	0	110.1	N72	N72-K274 PolarHBondContact ND2-O 2.9Å; N72-K274 PolarHBondContact OD1-N 2.68Å; N72-K274 PolarHBondContact OD1-O 3.18Å
275	Y	96.6	Very high	96.1	Very high	48 Å²	48	65.8 Å²	65.8	19%	0.188	30%	0.295	C	S	.	.			trans	-127.5	112.8	170.8	-68.1	-74.6	0	0	0	109.6	E71 N72 K211 E244 V245 E246 G272	E71-Y275 HydrophobicContact CG-CD1 3.93Å; E71-Y275 HydrophobicContact CG-CE1 4.28Å; E71-Y275 WeakPolarHBondContact OE1-CA 3.3Å; N72-Y275 WeakPolarHBondContact ND2-CE1 3.41Å; K211-Y275 HydrophobicContact CD-CE1 3.72Å; E244-Y275 WeakPolarHBondContact OE1-CE1 3.41Å; V245-Y275 PolarHBondContact N-OH 3.49Å; V245-Y275 PolarHBondContact O-OH 3.36Å; E246-Y275 HydrophobicContact CB-CD2 4.49Å; E246-Y275 HydrophobicContact CB-CE2 4.18Å; E246-Y275 HydrophobicContact CG-CD2 3.69Å; E246-Y275 HydrophobicContact CG-CE2 3.6Å; E246-Y275 HydrophobicContact CG-CG 4.16Å; G272-Y275 WeakPolarHBondContact CA-OH 3.47Å; G272-Y275 PolarHBondContact N-OH 3.43Å
276	E	96.9	Very high	95.4	Very high	93 Å²	93	69 Å²	69	44%	0.435	31%	0.31	S	S	.	.			trans	-71.3	-35.5	173.4	-167.3	-176.7	140.4	0	0	110.8	E71 F97 R278	E71-E276 PolarHBondContact OE1-N 2.82Å; E71-E276 PolarHBondContact OE2-N 3.22Å; F97-E276 HydrophobicContact CE2-CB 4.35Å; F97-E276 HydrophobicContact CZ-CB 3.93Å; E276-R278 VanDerWaalsContact C-N 3.29Å; E276-R278 VanDerWaalsContact CD-NH2 3.26Å; E276-R278 HydrophobicContact CG-CB 4.5Å; E276-R278 PolarHBondContact O-N 3.02Å; E276-R278 IonicContact OE1-CZ 3.93Å; E276-R278 IonicContact OE1-NE 3.42Å; E276-R278 PolarHBondContact OE1-NE 3.43Å; E276-R278 IonicContact OE1-NH2 3.95Å; E276-R278 PolarHBondContact OE1-NH2 2.75Å; E276-R278 IonicContact OE2-CZ 2.78Å; E276-R278 IonicContact OE2-NE 3.13Å; E276-R278 IonicContact OE2-NH2 2.67Å; E276-R278 PolarHBondContact OE2-NH2 2.86Å
277	K	94	Very high	94	Very high	62 Å²	62	76.7 Å²	76.7	27%	0.27	35%	0.346	S	S	.	.			trans	50.4	49.3	-175.5	-66.3	-151.3	176.8	-167.4	0	112.1	E246 I279 A361 D362	E246-K277 VanDerWaalsContact CD-CE 3.43Å; E246-K277 WeakPolarHBondContact OE1-CE 3.38Å; E246-K277 IonicContact OE1-NZ 3.85Å; E246-K277 PolarHBondContact OE1-NZ 2.82Å; E246-K277 WeakPolarHBondContact OE2-CE 3.5Å; E246-K277 IonicContact OE2-NZ 2.88Å; E246-K277 PolarHBondContact OE2-NZ 3.45Å; K277-I279 PolarHBondContact O-N 3.27Å; K277-A361 HydrophobicContact CB-CB 3.85Å; K277-A361 WeakPolarHBondContact O-CB 3.34Å; K277-D362 IonicContact NZ-OD1 2.69Å; K277-D362 IonicContact NZ-OD2 2.91Å; K277-D362 PolarHBondContact NZ-OD2 2.85Å
278	R	97.1	Very high	92.3	Very high	67 Å²	67	76.4 Å²	76.4	25%	0.253	36%	0.363	S	S	.	.			trans	-62.1	127.6	-178.1	-172.9	177.7	-63.6	172.5	11.6	111.2	L66 N96 F97 E276	L66-R278 HydrophobicContact CD1-CB 4.14Å; L66-R278 HydrophobicContact CD1-CG 3.96Å; N96-R278 PolarHBondContact OD1-NH1 2.99Å; F97-R278 HydrophobicContact CD1-CB 3.97Å; F97-R278 HydrophobicContact CE1-CB 3.76Å; F97-R278 HydrophobicContact CZ-CB 4.37Å; E276-R278 VanDerWaalsContact C-N 3.29Å; E276-R278 VanDerWaalsContact CD-NH2 3.26Å; E276-R278 HydrophobicContact CG-CB 4.5Å; E276-R278 PolarHBondContact O-N 3.02Å; E276-R278 IonicContact OE1-CZ 3.93Å; E276-R278 IonicContact OE1-NE 3.42Å; E276-R278 PolarHBondContact OE1-NE 3.43Å; E276-R278 IonicContact OE1-NH2 3.95Å; E276-R278 PolarHBondContact OE1-NH2 2.75Å; E276-R278 IonicContact OE2-CZ 2.78Å; E276-R278 IonicContact OE2-NE 3.13Å; E276-R278 IonicContact OE2-NH2 2.67Å; E276-R278 PolarHBondContact OE2-NH2 2.86Å
279	I	97	Very high	90.3	Very high	54 Å²	54	78.5 Å²	78.5	28%	0.277	38%	0.376	S	S	.	.			trans	-88.3	121.3	172.7	-63.9	168.4	0	0	0	108.4	K277 L282 A361 T370	K277-I279 PolarHBondContact O-N 3.27Å; I279-L282 HydrophobicContact CD1-CD1 4.15Å; I279-L282 HydrophobicContact CG2-CB 4.11Å; I279-L282 HydrophobicContact CG2-CD1 4.49Å; I279-A361 HydrophobicContact CD1-CB 4.44Å; I279-A361 HydrophobicContact CG1-CB 3.71Å; I279-T370 HydrophobicContact CD1-CG2 3.94Å; I279-T370 HydrophobicContact CG1-CG2 4.27Å; I279-T370 HydrophobicContact CG2-CG2 3.59Å
280	E	94	Very high	88	Confident	52 Å²	52	87 Å²	87	24%	0.243	42%	0.416	C	S	.	.	S	Bend	trans	-68.2	-47.7	-179.8	-168.6	-177.4	132.3	0	0	111.7	L66 V94 K368	L66-E280 HydrophobicContact CD1-CB 4.08Å; L66-E280 HydrophobicContact CD1-CG 4.47Å; L66-E280 HydrophobicContact CG-CB 4.23Å; V94-E280 HydrophobicContact CG1-CG 4.17Å; E280-K368 HydrophobicContact CB-CB 4.22Å; E280-K368 HydrophobicContact CG-CB 4.38Å; E280-K368 WeakPolarHBondContact OE1-CG 3.39Å
281	R	95.1	Very high	85.4	Confident	90 Å²	90	94.8 Å²	94.8	34%	0.34	45%	0.452	S	S	.	.	B	Isolated β-bridge	trans	-131.8	103	176.4	-60.1	179.8	175.9	-176.5	-6.3	110.2	E118 S283 G367 K368 E369 T370	E118-R281 IonicContact OE1-NH2 3.78Å; E118-R281 PolarHBondContact OE1-NH2 3.42Å; R281-S283 PolarHBondContact O-N 3.08Å; R281-G367 PolarHBondContact NH1-O 3.47Å; R281-K368 WeakPolarHBondContact CB-O 3.35Å; R281-K368 PolarHBondContact N-O 3.04Å; R281-E369 HydrophobicContact CB-CG 4.19Å; R281-E369 WeakPolarHBondContact O-CA 3.48Å; R281-T370 PolarHBondContact O-N 3.36Å
282	L	96.4	Very high	82.8	Confident	93 Å²	93	92.8 Å²	92.8	49%	0.487	46%	0.458	S	S	.	.			trans	-77.6	106.8	174.9	-178.7	65.3	0	0	0	109.3	I279 I284 A359 T370	I279-L282 HydrophobicContact CD1-CD1 4.15Å; I279-L282 HydrophobicContact CG2-CB 4.11Å; I279-L282 HydrophobicContact CG2-CD1 4.49Å; L282-I284 HydrophobicContact CD1-CG2 3.91Å; L282-I284 HydrophobicContact CG-CG2 4.09Å; L282-A359 HydrophobicContact CD1-CB 3.9Å; L282-T370 HydrophobicContact CD1-CG2 4.27Å
283	S	94.4	Very high	80.1	Confident	21 Å²	21	101.1 Å²	101.1	15%	0.147	49%	0.492	C	S	.	.			trans	-112.5	120.3	174.5	-64.5	0	0	0	0	108.8	R281 P354 E369 T370	R281-S283 PolarHBondContact O-N 3.08Å; S283-P354 WeakPolarHBondContact O-CD 3.41Å; S283-E369 PolarHBondContact OG-OE1 2.84Å; S283-E369 VanDerWaalsContact OG-OE1 3.14Å; S283-T370 PolarHBondContact N-OG1 3.4Å; S283-T370 PolarHBondContact O-OG1 3.38Å
284	I	94.4	Very high	77.5	Confident	67 Å²	67	96.8 Å²	96.8	34%	0.344	48%	0.482	S	S	.	.			trans	-129	144.8	-176.5	58.7	178	0	0	0	110.1	L282 P354	L282-I284 HydrophobicContact CD1-CG2 3.91Å; L282-I284 HydrophobicContact CG-CG2 4.09Å; I284-P354 VanDerWaalsContact CA-O 3.27Å; I284-P354 WeakPolarHBondContact CA-O 3.35Å
285	R	91	Very high	75	Confident	91 Å²	91	92.3 Å²	92.3	34%	0.343	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-94.5	142.8	167.6	66.5	-178.5	170.6	176.8	-4.3	110.5	Y353 P354 R355 E358	R285-Y353 WeakPolarHBondContact CD-O 3.11Å; R285-Y353 VanDerWaalsContact CG-O 3.28Å; R285-Y353 WeakPolarHBondContact CG-O 3.26Å; R285-Y353 PolarHBondContact NE-O 3.4Å; R285-P354 PolarHBondContact N-O 3.16Å; R285-R355 HydrophobicContact CG-CG 4.45Å; R285-E358 IonicContact NH2-OE2 2.79Å
286	K	85.4	Confident	72.3	Confident	152 Å²	152	99.1 Å²	99.1	66%	0.661	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-88.2	153.6	174.1	-58.6	-179.5	179.1	178.8	0	110.3	G288 D289	K286-G288 PolarHBondContact O-N 3.16Å; K286-D289 VanDerWaalsContact CB-OD2 3.27Å; K286-D289 WeakPolarHBondContact CB-OD2 3.36Å; K286-D289 PolarHBondContact N-OD2 2.77Å; K286-D289 WeakPolarHBondContact O-CB 3.21Å; K286-D289 PolarHBondContact O-N 3.13Å
287	E	68.2	Low	69.5	Low	163 Å²	163	101.5 Å²	101.5	76%	0.762	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	128	168.8	-71.7	-175.7	161	0	0	109.3
288	G	61.9	Low	67.1	Low	65 Å²	65	101 Å²	101	67%	0.67	54%	0.54	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.7	-0.9	-174.8	0	0	0	0	0	115.6	K286 E290	K286-G288 PolarHBondContact O-N 3.16Å; G288-E290 PolarHBondContact O-N 2.89Å
289	D	57.3	Low	65.2	Low	71 Å²	71	102.9 Å²	102.9	38%	0.38	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-76.9	14.7	170.1	-72.5	-23.6	0	0	0	112.6	K286 E291	K286-D289 VanDerWaalsContact CB-OD2 3.27Å; K286-D289 WeakPolarHBondContact CB-OD2 3.36Å; K286-D289 PolarHBondContact N-OD2 2.77Å; K286-D289 WeakPolarHBondContact O-CB 3.21Å; K286-D289 PolarHBondContact O-N 3.13Å; D289-E291 PolarHBondContact O-N 3.47Å
290	E	50	Low	64.4	Low	180 Å²	180	103.8 Å²	103.8	84%	0.841	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.6	-17.8	175.8	-68.1	-172.4	176.3	0	0	112.7	G288	G288-E290 PolarHBondContact O-N 2.89Å
291	E	45.2	Very low	64.2	Low	163 Å²	163	103.6 Å²	103.6	76%	0.762	56%	0.563	S	S	*	*	S	Bend	trans	-102.7	112.3	165.2	-69.8	175	174	0	0	107.6	D289 K293	D289-E291 PolarHBondContact O-N 3.47Å; E291-K293 PolarHBondContact O-N 3.26Å
292	A	44.2	Very low	63.9	Low	79 Å²	79	104.8 Å²	104.8	65%	0.653	57%	0.567	S	S	*	*			trans	-46.9	112.8	165.2	0	0	0	0	0	107.2	S294	A292-S294 VanDerWaalsContact C-N 3.27Å; A292-S294 PolarHBondContact O-N 2.91Å
293	K	38.5	Very low	63.7	Low	180 Å²	180	102.4 Å²	102.4	78%	0.783	55%	0.554	S	S	*	*			trans	-57	103	171	-81.2	179.8	-179.5	167.7	0	105.9	E291 A295	E291-K293 PolarHBondContact O-N 3.26Å; K293-A295 PolarHBondContact O-N 2.85Å
294	S	37.6	Very low	63.7	Low	92 Å²	92	102.7 Å²	102.7	64%	0.643	55%	0.552	S	S	*	*			trans	-50.3	114.3	167.4	44	0	0	0	0	105.7	A292 K296	A292-S294 VanDerWaalsContact C-N 3.27Å; A292-S294 PolarHBondContact O-N 2.91Å; S294-K296 PolarHBondContact O-N 2.9Å
295	A	40.4	Very low	63.9	Low	55 Å²	55	99.5 Å²	99.5	46%	0.455	54%	0.535	S	S	.	.			trans	-51.7	144	163.9	0	0	0	0	0	106.6	K293	K293-A295 PolarHBondContact O-N 2.85Å
296	K	39.6	Very low	64.1	Low	191 Å²	191	95.9 Å²	95.9	83%	0.83	52%	0.523	S	S	*	.			trans	-44.6	138.5	177	-71.9	178.2	176	178.6	0	109.2	S294 G298	S294-K296 PolarHBondContact O-N 2.9Å; K296-G298 PolarHBondContact O-N 2.64Å
297	P	36.9	Very low	64.6	Low	143 Å²	143	89.8 Å²	89.8	93%	0.929	50%	0.496	S	S	*	.	S	Bend	trans	-58.7	102.9	-179.9	23.4	-31.2	0	0	0	108.7
298	G	45.3	Very low	66	Low	53 Å²	53	82.2 Å²	82.2	55%	0.546	46%	0.461	S	S	.	.	S	Bend	trans	-157.8	143.3	-179	0	0	0	0	0	104.7	K296 D300	K296-G298 PolarHBondContact O-N 2.64Å; G298-D300 PolarHBondContact O-N 3.45Å
299	D	56.8	Low	67.7	Low	106 Å²	106	79.1 Å²	79.1	57%	0.567	43%	0.429	S	S	*	.			trans	-70.8	65.8	-168.7	-157.2	26.1	0	0	0	110.9	V301 R304	D299-V301 PolarHBondContact O-N 3.43Å; D299-R304 PolarHBondContact O-NH2 3.12Å; D299-R304 IonicContact OD1-CZ 2.79Å; D299-R304 IonicContact OD1-NE 3.43Å; D299-R304 PolarHBondContact OD1-NE 2.89Å; D299-R304 IonicContact OD1-NH1 2.74Å; D299-R304 PolarHBondContact OD1-NH1 3.15Å; D299-R304 IonicContact OD1-NH2 3.49Å; D299-R304 PolarHBondContact OD1-NH2 3.46Å; D299-R304 IonicContact OD2-CZ 3.47Å; D299-R304 IonicContact OD2-NH1 3.19Å; D299-R304 PolarHBondContact OD2-NH1 3.29Å; D299-R304 IonicContact OD2-NH2 2.79Å; D299-R304 PolarHBondContact OD2-NH2 2.77Å
300	D	80.9	Confident	69.6	Low	73 Å²	73	75.9 Å²	75.9	39%	0.39	41%	0.412	S	S	.	.			trans	-68.1	103	-178.2	-173.5	-1.4	0	0	0	108.6	G298 R302 E303 R304	G298-D300 PolarHBondContact O-N 3.45Å; D300-R302 PolarHBondContact O-N 3.24Å; D300-R302 VanDerWaalsContact O-N 3.1Å; D300-R302 WeakPolarHBondContact OD1-CB 3.27Å; D300-R302 PolarHBondContact OD1-N 2.78Å; D300-E303 HydrophobicContact CB-CB 3.82Å; D300-E303 PolarHBondContact O-N 3.44Å; D300-R304 PolarHBondContact O-N 2.81Å
301	V	88	Confident	71.9	Confident	48 Å²	48	70.3 Å²	70.3	29%	0.291	39%	0.387	S	S	.	.	H	α-helix	trans	-41.5	-41.8	171.2	160.9	0	0	0	0	111.2	D299 I305 E442 E472	D299-V301 PolarHBondContact O-N 3.43Å; V301-I305 WeakPolarHBondContact O-CG1 3.44Å; V301-I305 PolarHBondContact O-N 2.89Å; V301-E442 HydrophobicContact CG1-CG 3.94Å; V301-E472 HydrophobicContact CB-CB 4.27Å; V301-E472 HydrophobicContact CB-CG 4.38Å; V301-E472 HydrophobicContact CG1-CB 3.71Å; V301-E472 HydrophobicContact CG1-CG 3.72Å; V301-E472 HydrophobicContact CG2-CB 4.49Å; V301-E472 HydrophobicContact CG2-CG 4.19Å
302	R	90.6	Very high	74.4	Confident	114 Å²	114	62.9 Å²	62.9	43%	0.43	35%	0.353	S	S	.	.	H	α-helix	trans	-74.8	-42.4	-177.5	-168.5	176.3	176.8	167.8	-2.9	112	D300 R304 I305 I306 I325	D300-R302 PolarHBondContact O-N 3.24Å; D300-R302 VanDerWaalsContact O-N 3.1Å; D300-R302 WeakPolarHBondContact OD1-CB 3.27Å; D300-R302 PolarHBondContact OD1-N 2.78Å; R302-R304 VanDerWaalsContact C-N 3.3Å; R302-R304 PolarHBondContact O-N 2.96Å; R302-I305 PolarHBondContact O-N 2.69Å; R302-I306 HydrophobicContact CG-CD1 3.97Å; R302-I306 VanDerWaalsContact O-CG1 3.25Å; R302-I306 WeakPolarHBondContact O-CG1 3.46Å; R302-I306 PolarHBondContact O-N 2.93Å; R302-I325 HydrophobicContact CG-CD1 4Å; R302-I325 HydrophobicContact CG-CG1 3.86Å
303	E	91.5	Very high	77	Confident	44 Å²	44	59.6 Å²	59.6	21%	0.206	32%	0.324	C	S	.	.	H	α-helix	trans	-60.6	-40.9	177.3	-169.3	-179.2	164.6	0	0	111.3	D300 I305 I306 K307	D300-E303 HydrophobicContact CB-CB 3.82Å; D300-E303 PolarHBondContact O-N 3.44Å; E303-I305 VanDerWaalsContact C-N 3.35Å; E303-I305 PolarHBondContact O-N 3.42Å; E303-I306 PolarHBondContact O-N 3.1Å; E303-K307 HydrophobicContact CG-CD 4.09Å; E303-K307 HydrophobicContact CG-CG 4.38Å; E303-K307 WeakPolarHBondContact O-CB 3.29Å; E303-K307 PolarHBondContact O-N 3.15Å; E303-K307 WeakPolarHBondContact OE1-CE 3.37Å; E303-K307 IonicContact OE1-NZ 3.79Å; E303-K307 PolarHBondContact OE1-NZ 3.4Å
304	R	94.6	Very high	79.9	Confident	26 Å²	26	57 Å²	57	10%	0.098	32%	0.315	C	S	.	.	H	α-helix	trans	-57	-45.6	175.4	-75.3	-178.7	-81.8	-167.1	-15.1	112.8	D299 D300 R302 R308 W490 Q517	D299-R304 PolarHBondContact O-NH2 3.12Å; D299-R304 IonicContact OD1-CZ 2.79Å; D299-R304 IonicContact OD1-NE 3.43Å; D299-R304 PolarHBondContact OD1-NE 2.89Å; D299-R304 IonicContact OD1-NH1 2.74Å; D299-R304 PolarHBondContact OD1-NH1 3.15Å; D299-R304 IonicContact OD1-NH2 3.49Å; D299-R304 PolarHBondContact OD1-NH2 3.46Å; D299-R304 IonicContact OD2-CZ 3.47Å; D299-R304 IonicContact OD2-NH1 3.19Å; D299-R304 PolarHBondContact OD2-NH1 3.29Å; D299-R304 IonicContact OD2-NH2 2.79Å; D299-R304 PolarHBondContact OD2-NH2 2.77Å; D300-R304 PolarHBondContact O-N 2.81Å; R302-R304 VanDerWaalsContact C-N 3.3Å; R302-R304 PolarHBondContact O-N 2.96Å; R304-R308 WeakPolarHBondContact O-CB 3.47Å; R304-R308 PolarHBondContact O-N 3.11Å; R304-W490 VanDerWaalsContact CD-CZ2 3.44Å; R304-W490 HydrophobicContact CG-CE3 4.48Å; R304-W490 HydrophobicContact CG-CH2 3.88Å; R304-W490 HydrophobicContact CG-CZ2 4.26Å; R304-W490 HydrophobicContact CG-CZ3 4Å; R304-W490 VanDerWaalsContact NH1-NE1 3.11Å; R304-Q517 PolarHBondContact O-NE2 3.38Å; R304-Q517 VanDerWaalsContact O-NE2 3.13Å; R304-Q517 PolarHBondContact O-OE1 2.75Å
305	I	97.3	Very high	82.7	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-65.7	-45.4	177.4	-57.8	166	0	0	0	109.9	V301 R302 E303 K307 R308 A309 I325 T440 I470 E472	V301-I305 WeakPolarHBondContact O-CG1 3.44Å; V301-I305 PolarHBondContact O-N 2.89Å; R302-I305 PolarHBondContact O-N 2.69Å; E303-I305 VanDerWaalsContact C-N 3.35Å; E303-I305 PolarHBondContact O-N 3.42Å; I305-K307 PolarHBondContact O-N 2.98Å; I305-R308 PolarHBondContact O-N 3.24Å; I305-A309 WeakPolarHBondContact O-CB 3.33Å; I305-A309 PolarHBondContact O-N 3.28Å; I305-I325 HydrophobicContact CB-CD1 4.34Å; I305-I325 HydrophobicContact CB-CG2 4.29Å; I305-I325 HydrophobicContact CD1-CD1 4.09Å; I305-I325 HydrophobicContact CG2-CD1 4.2Å; I305-I325 HydrophobicContact CG2-CG2 3.68Å; I305-T440 HydrophobicContact CG2-CG2 4.12Å; I305-I470 HydrophobicContact CG2-CG2 4.09Å; I305-E472 HydrophobicContact CD1-CB 4.14Å; I305-E472 HydrophobicContact CG1-CB 3.98Å; I305-E472 VanDerWaalsContact CG1-N 3.33Å
306	I	96.5	Very high	85.5	Confident	15 Å²	15	57.3 Å²	57.3	8%	0.077	31%	0.31	C	S	.	.	H	α-helix	trans	-57.9	-51	-179.7	-70.4	164.9	0	0	0	110.9	R302 E303 R308 A309 A310 I325 L328 A329 F332	R302-I306 HydrophobicContact CG-CD1 3.97Å; R302-I306 VanDerWaalsContact O-CG1 3.25Å; R302-I306 WeakPolarHBondContact O-CG1 3.46Å; R302-I306 PolarHBondContact O-N 2.93Å; E303-I306 PolarHBondContact O-N 3.1Å; I306-R308 PolarHBondContact O-N 2.79Å; I306-A309 PolarHBondContact O-N 2.78Å; I306-A310 PolarHBondContact O-N 3.05Å; I306-I325 HydrophobicContact CG1-CB 4.34Å; I306-I325 HydrophobicContact CG1-CG1 4.3Å; I306-I325 HydrophobicContact CG1-CG2 3.82Å; I306-L328 HydrophobicContact CD1-CB 3.86Å; I306-L328 HydrophobicContact CD1-CD1 3.77Å; I306-L328 HydrophobicContact CD1-CG 4.48Å; I306-L328 HydrophobicContact CG1-CB 4.12Å; I306-L328 HydrophobicContact CG2-CB 4.26Å; I306-A329 HydrophobicContact CG2-CB 4.44Å; I306-F332 HydrophobicContact CG2-CD2 3.69Å; I306-F332 HydrophobicContact CG2-CE2 3.44Å; I306-F332 VanDerWaalsContact CG2-CE2 3.44Å; I306-F332 HydrophobicContact CG2-CZ 4.48Å
307	K	95.8	Very high	88.3	Confident	24 Å²	24	48.9 Å²	48.9	10%	0.104	27%	0.274	C	S	.	.	H	α-helix	trans	-65.9	-36.9	-178.8	-78.1	-177.4	167.8	174.1	0	112.9	E303 I305 F332 I518 N520	E303-K307 HydrophobicContact CG-CD 4.09Å; E303-K307 HydrophobicContact CG-CG 4.38Å; E303-K307 WeakPolarHBondContact O-CB 3.29Å; E303-K307 PolarHBondContact O-N 3.15Å; E303-K307 WeakPolarHBondContact OE1-CE 3.37Å; E303-K307 IonicContact OE1-NZ 3.79Å; E303-K307 PolarHBondContact OE1-NZ 3.4Å; I305-K307 PolarHBondContact O-N 2.98Å; K307-F332 HydrophobicContact CG-CD1 4.47Å; K307-F332 HydrophobicContact CG-CE1 4.17Å; K307-F332 HydrophobicContact CG-CZ 4.29Å; K307-I518 HydrophobicContact CB-CG2 3.99Å; K307-I518 HydrophobicContact CG-CG2 3.96Å; K307-N520 VanDerWaalsContact CE-OD1 3.27Å; K307-N520 WeakPolarHBondContact CE-OD1 3.46Å; K307-N520 PolarHBondContact NZ-OD1 3.28Å
308	R	97.6	Very high	91.2	Very high	5 Å²	5	46.4 Å²	46.4	2%	0.019	25%	0.246	C	C	.	.	H	α-helix	trans	-69.6	-42.6	173	178.5	56	-168.2	71.4	0.4	111.4	R304 I305 I306 A310 L311 E312 I470 V475 E488 M515 Q516	R304-R308 WeakPolarHBondContact O-CB 3.47Å; R304-R308 PolarHBondContact O-N 3.11Å; I305-R308 PolarHBondContact O-N 3.24Å; I306-R308 PolarHBondContact O-N 2.79Å; R308-A310 PolarHBondContact O-N 3.14Å; R308-L311 WeakPolarHBondContact O-CB 3.23Å; R308-L311 PolarHBondContact O-N 3.42Å; R308-L311 VanDerWaalsContact O-N 3.11Å; R308-E312 IonicContact CZ-OE1 3.48Å; R308-E312 IonicContact NH1-OE1 3.51Å; R308-E312 PolarHBondContact NH1-OE1 3.24Å; R308-E312 IonicContact NH2-OE1 2.67Å; R308-E312 PolarHBondContact NH2-OE1 2.92Å; R308-E312 VanDerWaalsContact NH2-OE1 3.14Å; R308-I470 HydrophobicContact CB-CG2 4.01Å; R308-I470 HydrophobicContact CG-CG2 3.68Å; R308-V475 HydrophobicContact CG-CG2 3.93Å; R308-E488 WeakPolarHBondContact CD-OE2 3.41Å; R308-E488 IonicContact CZ-OE1 2.86Å; R308-E488 VanDerWaalsContact CZ-OE1 3.28Å; R308-E488 IonicContact CZ-OE2 3.82Å; R308-E488 VanDerWaalsContact NE-CD 3.29Å; R308-E488 IonicContact NE-OE1 2.7Å; R308-E488 PolarHBondContact NE-OE1 3.15Å; R308-E488 VanDerWaalsContact NE-OE1 3.08Å; R308-E488 IonicContact NE-OE2 2.88Å; R308-E488 PolarHBondContact NE-OE2 2.99Å; R308-E488 IonicContact NH2-OE1 3.94Å; R308-E488 PolarHBondContact NH2-OE1 3.47Å; R308-E488 IonicContact NH2-OE2 3.19Å; R308-M515 HydrophobicContact CB-CG 4.47Å; R308-M515 HydrophobicContact CB-SD 4.33Å; R308-M515 HydrophobicContact CG-CG 4.09Å; R308-M515 HydrophobicContact CG-SD 4.32Å; R308-Q516 WeakPolarHBondContact CD-O 3.28Å
309	A	98	Very high	93.8	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-32.9	179.5	0	0	0	0	0	112.4	I305 I306 L311 E312 A329 M398 T440 I470	I305-A309 WeakPolarHBondContact O-CB 3.33Å; I305-A309 PolarHBondContact O-N 3.28Å; I306-A309 PolarHBondContact O-N 2.78Å; A309-L311 PolarHBondContact O-N 3.33Å; A309-E312 WeakPolarHBondContact O-CB 3.47Å; A309-E312 WeakPolarHBondContact O-CG 3.18Å; A309-E312 PolarHBondContact O-N 3.48Å; A309-A329 HydrophobicContact CB-CB 3.94Å; A309-M398 HydrophobicContact CB-CE 4.06Å; A309-M398 HydrophobicContact CB-SD 3.73Å; A309-M398 WeakPolarHBondContact O-CE 3.36Å; A309-T440 HydrophobicContact CB-CG2 3.7Å; A309-I470 HydrophobicContact CB-CD1 4.29Å
310	A	97.5	Very high	95.8	Very high	3 Å²	3	39 Å²	39	3%	0.025	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-60.5	-23.4	175.4	0	0	0	0	0	113.9	I306 R308 E312 F313 A329 F332 I518	I306-A310 PolarHBondContact O-N 3.05Å; R308-A310 PolarHBondContact O-N 3.14Å; A310-E312 PolarHBondContact O-N 2.93Å; A310-F313 HydrophobicContact CB-CD2 4.42Å; A310-F313 WeakPolarHBondContact O-CD2 3.43Å; A310-F313 PolarHBondContact O-N 3.24Å; A310-A329 HydrophobicContact CB-CB 4.47Å; A310-F332 HydrophobicContact CB-CB 3.62Å; A310-I518 HydrophobicContact CB-CD1 4.3Å; A310-I518 HydrophobicContact CB-CG2 4.4Å
311	L	97.6	Very high	96.5	Very high	63 Å²	63	36.5 Å²	36.5	33%	0.33	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-76.2	-3.7	175.5	-61.2	174.5	0	0	0	113.4	R308 A309 F313 Q516 I518	R308-L311 WeakPolarHBondContact O-CB 3.23Å; R308-L311 PolarHBondContact O-N 3.42Å; R308-L311 VanDerWaalsContact O-N 3.11Å; A309-L311 PolarHBondContact O-N 3.33Å; L311-F313 VanDerWaalsContact C-N 3.31Å; L311-Q516 HydrophobicContact CD1-CB 3.35Å; L311-I518 HydrophobicContact CD2-CB 4.14Å; L311-I518 HydrophobicContact CD2-CD1 4.32Å; L311-I518 HydrophobicContact CD2-CG1 4.34Å
312	E	98.3	Very high	96.8	Very high	6 Å²	6	35 Å²	35	3%	0.028	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-84	-7	172.4	-59	-63.2	137.6	0	0	113.1	R308 A309 A310 L396 M398 K436 V438 R468 I470	R308-E312 IonicContact CZ-OE1 3.48Å; R308-E312 IonicContact NH1-OE1 3.51Å; R308-E312 PolarHBondContact NH1-OE1 3.24Å; R308-E312 IonicContact NH2-OE1 2.67Å; R308-E312 PolarHBondContact NH2-OE1 2.92Å; R308-E312 VanDerWaalsContact NH2-OE1 3.14Å; A309-E312 WeakPolarHBondContact O-CB 3.47Å; A309-E312 WeakPolarHBondContact O-CG 3.18Å; A309-E312 PolarHBondContact O-N 3.48Å; A310-E312 PolarHBondContact O-N 2.93Å; E312-L396 HydrophobicContact CB-CD2 4.19Å; E312-M398 HydrophobicContact CB-CE 3.99Å; E312-M398 HydrophobicContact CG-CE 4.31Å; E312-K436 VanDerWaalsContact OE2-CE 3.27Å; E312-K436 WeakPolarHBondContact OE2-CE 3.43Å; E312-K436 IonicContact OE2-NZ 3.8Å; E312-K436 PolarHBondContact OE2-NZ 3.03Å; E312-V438 HydrophobicContact CG-CG1 4.31Å; E312-V438 HydrophobicContact CG-CG2 4.39Å; E312-R468 VanDerWaalsContact CD-NH1 3.35Å; E312-R468 WeakPolarHBondContact OE1-CD 3.1Å; E312-R468 IonicContact OE1-CZ 3.46Å; E312-R468 IonicContact OE1-NE 3.85Å; E312-R468 IonicContact OE1-NH1 2.67Å; E312-R468 PolarHBondContact OE1-NH1 3.2Å; E312-R468 IonicContact OE2-CZ 3.64Å; E312-R468 IonicContact OE2-NH1 3.42Å; E312-R468 PolarHBondContact OE2-NH1 3.34Å; E312-R468 VanDerWaalsContact OE2-NH1 3.13Å; E312-I470 HydrophobicContact CG-CD1 3.74Å
313	F	98.3	Very high	96.7	Very high	11 Å²	11	34.4 Å²	34.4	5%	0.048	18%	0.18	C	C	.	.			trans	-80.1	138.3	176	-65.3	-63.9	0	0	0	111.2	A310 L311 M317 A319 L321 A329 I333 M337 V339 L396	A310-F313 HydrophobicContact CB-CD2 4.42Å; A310-F313 WeakPolarHBondContact O-CD2 3.43Å; A310-F313 PolarHBondContact O-N 3.24Å; L311-F313 VanDerWaalsContact C-N 3.31Å; F313-M317 HydrophobicContact CD1-CE 3.39Å; F313-M317 HydrophobicContact CD1-SD 4.38Å; F313-M317 HydrophobicContact CE1-CE 3.99Å; F313-M317 HydrophobicContact CG-CE 4.38Å; F313-A319 HydrophobicContact CE1-CB 4.29Å; F313-L321 HydrophobicContact CE1-CD1 4.19Å; F313-L321 HydrophobicContact CE1-CD2 3.96Å; F313-L321 HydrophobicContact CZ-CD1 3.9Å; F313-L321 HydrophobicContact CZ-CD2 3.93Å; F313-A329 HydrophobicContact CE2-CB 3.99Å; F313-A329 HydrophobicContact CZ-CB 4.45Å; F313-I333 HydrophobicContact CB-CG1 4.29Å; F313-I333 HydrophobicContact CD1-CD1 4.08Å; F313-I333 HydrophobicContact CD1-CG1 4.32Å; F313-I333 HydrophobicContact CD2-CD1 4.02Å; F313-I333 HydrophobicContact CD2-CG1 3.49Å; F313-I333 VanDerWaalsContact CD2-CG1 3.49Å; F313-I333 HydrophobicContact CE1-CD1 4.16Å; F313-I333 HydrophobicContact CE2-CD1 4.09Å; F313-I333 HydrophobicContact CE2-CG1 3.89Å; F313-I333 HydrophobicContact CG-CD1 4.08Å; F313-I333 HydrophobicContact CG-CG1 3.79Å; F313-I333 HydrophobicContact CZ-CD1 4.18Å; F313-I333 HydrophobicContact CZ-CG1 4.47Å; F313-M337 HydrophobicContact CB-CE 3.41Å; F313-M337 VanDerWaalsContact CB-CE 3.41Å; F313-M337 HydrophobicContact CB-SD 4.16Å; F313-M337 HydrophobicContact CG-CE 4.46Å; F313-V339 HydrophobicContact CB-CG2 4.07Å; F313-V339 HydrophobicContact CD1-CG1 3.95Å; F313-V339 HydrophobicContact CD1-CG2 4.12Å; F313-V339 HydrophobicContact CE1-CG1 4.34Å; F313-V339 HydrophobicContact CG-CG2 4.35Å; F313-L396 HydrophobicContact CD1-CD2 4.48Å; F313-L396 HydrophobicContact CE1-CD2 4.38Å
314	E	97.9	Very high	96.6	Very high	126 Å²	126	33.7 Å²	33.7	59%	0.589	18%	0.184	S	C	*	.			trans	-127.7	149.6	178.1	-63.7	179.6	-156.6	0	0	109.3	G316 M317	E314-G316 PolarHBondContact O-N 3.38Å; E314-M317 HydrophobicContact CB-SD 4.01Å; E314-M317 PolarHBondContact N-SD 3.1Å; E314-M317 WeakPolarHBondContact O-CG 3.05Å; E314-M317 PolarHBondContact O-N 3.22Å
315	D	98.3	Very high	96.6	Very high	114 Å²	114	33.6 Å²	33.6	61%	0.61	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.4	133.7	-179.4	-171.9	51.5	0	0	0	112	M317 M337 T338	D315-M317 VanDerWaalsContact C-N 3.32Å; D315-M317 PolarHBondContact O-N 3.46Å; D315-M337 HydrophobicContact CB-CG 3.98Å; D315-T338 PolarHBondContact OD1-N 3.07Å
316	G	97.9	Very high	96.5	Very high	38 Å²	38	33.7 Å²	33.7	39%	0.392	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.6	-0.6	-179.8	0	0	0	0	0	115.4	E314 T338	E314-G316 PolarHBondContact O-N 3.38Å; G316-T338 WeakPolarHBondContact CA-O 3.34Å; G316-T338 PolarHBondContact N-O 3.22Å
317	M	98.2	Very high	96.2	Very high	15 Å²	15	34.3 Å²	34.3	7%	0.074	19%	0.189	C	C	.	.			trans	-79.5	157.2	-173.6	82.4	-179.8	-136.2	0	0	113.7	F313 E314 D315 A319 V339 H340 D395 L396	F313-M317 HydrophobicContact CD1-CE 3.39Å; F313-M317 HydrophobicContact CD1-SD 4.38Å; F313-M317 HydrophobicContact CE1-CE 3.99Å; F313-M317 HydrophobicContact CG-CE 4.38Å; E314-M317 HydrophobicContact CB-SD 4.01Å; E314-M317 PolarHBondContact N-SD 3.1Å; E314-M317 WeakPolarHBondContact O-CG 3.05Å; E314-M317 PolarHBondContact O-N 3.22Å; D315-M317 VanDerWaalsContact C-N 3.32Å; D315-M317 PolarHBondContact O-N 3.46Å; M317-A319 HydrophobicContact CE-CB 3.53Å; M317-V339 HydrophobicContact CE-CG1 4.06Å; M317-V339 HydrophobicContact CG-CG1 3.87Å; M317-V339 HydrophobicContact CG-CG2 4.37Å; M317-H340 PolarHBondContact O-N 2.81Å; M317-D395 WeakPolarHBondContact CA-OD2 3.42Å; M317-D395 HydrophobicContact CB-CB 4.29Å; M317-L396 HydrophobicContact CE-CB 3.56Å; M317-L396 HydrophobicContact CE-CD2 3.38Å; M317-L396 HydrophobicContact CE-CG 4.09Å
318	Y	98.8	Very high	96.1	Very high	90 Å²	90	35.8 Å²	35.8	35%	0.353	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.7	171.2	-67.2	-93.2	0	0	0	110.6	H340 L348 V394 D395 L396	Y318-H340 WeakPolarHBondContact CA-O 3.2Å; Y318-H340 HydrophobicContact CD1-CB 3.55Å; Y318-H340 HydrophobicContact CE1-CB 3.62Å; Y318-H340 AromaticContact CE1-CG 3.9Å; Y318-H340 HydrophobicContact CG-CB 4.23Å; Y318-H340 AromaticContact CZ-CD2 3.97Å; Y318-L348 HydrophobicContact CD1-CD1 3.7Å; Y318-L348 HydrophobicContact CE1-CD1 3.92Å; Y318-L348 HydrophobicContact CE1-CD2 4.04Å; Y318-L348 HydrophobicContact CE1-CG 4.47Å; Y318-V394 WeakPolarHBondContact O-CG1 3.45Å; Y318-D395 PolarHBondContact N-OD2 2.85Å; Y318-D395 WeakPolarHBondContact O-CB 3.44Å; Y318-D395 PolarHBondContact O-N 3.49Å; Y318-L396 PolarHBondContact O-N 2.67Å; Y318-L396 VanDerWaalsContact O-N 3.12Å
319	A	98.7	Very high	95.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.3	-176.8	0	0	0	0	0	112.9	F313 M317 L321 V339 H340 L341 Q342 L396	F313-A319 HydrophobicContact CE1-CB 4.29Å; M317-A319 HydrophobicContact CE-CB 3.53Å; A319-L321 HydrophobicContact CB-CD2 4.33Å; A319-V339 HydrophobicContact CB-CG1 4.01Å; A319-H340 PolarHBondContact N-O 3.25Å; A319-L341 HydrophobicContact CB-CD2 4.01Å; A319-L341 WeakPolarHBondContact O-CA 3.18Å; A319-Q342 PolarHBondContact O-N 3.2Å; A319-L396 CarbonylContact C-O 3.57Å; A319-L396 VanDerWaalsContact CA-O 3.27Å; A319-L396 WeakPolarHBondContact CA-O 3.32Å; A319-L396 HydrophobicContact CB-CB 4.33Å
320	N	98.7	Very high	95.7	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.016	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	128	163	-179.1	-72.4	0	0	0	109.3	Q342 V394 L396 T397 M398 L429	N320-Q342 PolarHBondContact ND2-O 3.28Å; N320-Q342 PolarHBondContact ND2-OE1 2.58Å; N320-V394 HydrophobicContact CB-CG1 4.11Å; N320-L396 PolarHBondContact N-O 3.13Å; N320-T397 WeakPolarHBondContact O-CA 3.35Å; N320-M398 PolarHBondContact O-N 2.77Å; N320-L429 HydrophobicContact CB-CD2 3.78Å; N320-L429 WeakPolarHBondContact OD1-CD1 3.12Å; N320-L429 WeakPolarHBondContact OD1-CD2 3.47Å
321	L	97.4	Very high	95.4	Very high	21 Å²	21	41.9 Å²	41.9	11%	0.11	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	119.8	-174	-56.5	179.5	0	0	0	110.3	F313 A319 P326 L341 M398	F313-L321 HydrophobicContact CE1-CD1 4.19Å; F313-L321 HydrophobicContact CE1-CD2 3.96Å; F313-L321 HydrophobicContact CZ-CD1 3.9Å; F313-L321 HydrophobicContact CZ-CD2 3.93Å; A319-L321 HydrophobicContact CB-CD2 4.33Å; L321-P326 HydrophobicContact CB-CB 4.2Å; L321-P326 HydrophobicContact CD2-CB 4.42Å; L321-L341 HydrophobicContact CD1-CD1 4.27Å; L321-L341 HydrophobicContact CD1-CD2 3.62Å; L321-L341 HydrophobicContact CG-CD2 4.15Å; L321-M398 HydrophobicContact CD2-CB 3.9Å
322	G	93.3	Very high	95.2	Very high	17 Å²	17	41.1 Å²	41.1	18%	0.175	23%	0.226	C	C	.	.			trans	-64.1	157	170.8	0	0	0	0	0	112.3	P326 L327 M398	G322-P326 WeakPolarHBondContact O-CB 3.5Å; G322-L327 PolarHBondContact O-N 3.07Å; G322-L327 VanDerWaalsContact O-N 3.15Å; G322-M398 PolarHBondContact N-O 3.41Å
323	I	88.8	Confident	94.9	Very high	102 Å²	102	42.6 Å²	42.6	52%	0.523	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	151	176.9	63.1	171.5	0	0	0	112.1
324	G	89.9	Confident	94.6	Very high	28 Å²	28	44.4 Å²	44.4	29%	0.289	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.2	-126.9	177.2	0	0	0	0	0	112.7	L327 L328	G324-L327 PolarHBondContact O-N 3.46Å; G324-L328 VanDerWaalsContact O-CG 3.28Å; G324-L328 WeakPolarHBondContact O-CG 3.37Å; G324-L328 PolarHBondContact O-N 2.96Å
325	I	93.5	Very high	94.2	Very high	24 Å²	24	44.8 Å²	44.8	12%	0.123	26%	0.261	C	S	.	.	H	α-helix	trans	-55.9	-46.7	-174.1	-67.4	172.8	0	0	0	113.1	R302 I305 I306 L327 L328 A329 T440	R302-I325 HydrophobicContact CG-CD1 4Å; R302-I325 HydrophobicContact CG-CG1 3.86Å; I305-I325 HydrophobicContact CB-CD1 4.34Å; I305-I325 HydrophobicContact CB-CG2 4.29Å; I305-I325 HydrophobicContact CD1-CD1 4.09Å; I305-I325 HydrophobicContact CG2-CD1 4.2Å; I305-I325 HydrophobicContact CG2-CG2 3.68Å; I306-I325 HydrophobicContact CG1-CB 4.34Å; I306-I325 HydrophobicContact CG1-CG1 4.3Å; I306-I325 HydrophobicContact CG1-CG2 3.82Å; I325-L327 PolarHBondContact O-N 3.1Å; I325-L328 PolarHBondContact O-N 2.95Å; I325-A329 PolarHBondContact O-N 3.11Å; I325-T440 HydrophobicContact CG2-CG2 4.12Å
326	P	95.1	Very high	94	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.013	27%	0.271	C	S	.	.	H	α-helix	trans	-59.7	-47.4	-179.4	-19.9	28.4	0	0	0	113.2	L321 G322 L328 A329 M398 T440	L321-P326 HydrophobicContact CB-CB 4.2Å; L321-P326 HydrophobicContact CD2-CB 4.42Å; G322-P326 WeakPolarHBondContact O-CB 3.5Å; P326-L328 VanDerWaalsContact C-N 3.33Å; P326-L328 PolarHBondContact O-N 2.95Å; P326-A329 WeakPolarHBondContact O-CB 3.41Å; P326-A329 PolarHBondContact O-N 2.74Å; P326-M398 HydrophobicContact CB-CB 3.93Å; P326-M398 HydrophobicContact CB-CG 3.75Å; P326-M398 WeakPolarHBondContact CB-O 3.12Å; P326-M398 HydrophobicContact CB-SD 3.83Å; P326-M398 HydrophobicContact CG-CG 4.08Å; P326-M398 WeakPolarHBondContact CG-O 3.49Å; P326-M398 HydrophobicContact CG-SD 4.46Å; P326-T440 WeakPolarHBondContact CD-OG1 3.3Å; P326-T440 WeakPolarHBondContact CG-OG1 3.21Å
327	L	91.8	Very high	93.9	Very high	28 Å²	28	46.7 Å²	46.7	15%	0.147	26%	0.262	C	S	.	.	H	α-helix	trans	-63.3	-38.4	176.4	-175.6	63.5	0	0	0	112	G322 G324 I325 A329 S330	G322-L327 PolarHBondContact O-N 3.07Å; G322-L327 VanDerWaalsContact O-N 3.15Å; G324-L327 PolarHBondContact O-N 3.46Å; I325-L327 PolarHBondContact O-N 3.1Å; L327-A329 VanDerWaalsContact C-N 3.27Å; L327-A329 PolarHBondContact O-N 3.47Å; L327-S330 PolarHBondContact O-N 3.38Å; L327-S330 PolarHBondContact O-OG 3.14Å
328	L	91.9	Very high	93.9	Very high	55 Å²	55	49.7 Å²	49.7	29%	0.288	28%	0.281	S	S	.	.	H	α-helix	trans	-67.2	-27.9	177.2	-69.5	170.5	0	0	0	112.9	I306 G324 I325 P326 S330 N331	I306-L328 HydrophobicContact CD1-CB 3.86Å; I306-L328 HydrophobicContact CD1-CD1 3.77Å; I306-L328 HydrophobicContact CD1-CG 4.48Å; I306-L328 HydrophobicContact CG1-CB 4.12Å; I306-L328 HydrophobicContact CG2-CB 4.26Å; G324-L328 VanDerWaalsContact O-CG 3.28Å; G324-L328 WeakPolarHBondContact O-CG 3.37Å; G324-L328 PolarHBondContact O-N 2.96Å; I325-L328 PolarHBondContact O-N 2.95Å; P326-L328 VanDerWaalsContact C-N 3.33Å; P326-L328 PolarHBondContact O-N 2.95Å; L328-S330 PolarHBondContact O-N 3.12Å; L328-N331 WeakPolarHBondContact O-CB 3.36Å; L328-N331 PolarHBondContact O-N 2.96Å
329	A	94.3	Very high	93.8	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-63.2	-28.3	175.8	0	0	0	0	0	112.3	I306 A309 A310 F313 I325 P326 L327 N331 F332	I306-A329 HydrophobicContact CG2-CB 4.44Å; A309-A329 HydrophobicContact CB-CB 3.94Å; A310-A329 HydrophobicContact CB-CB 4.47Å; F313-A329 HydrophobicContact CE2-CB 3.99Å; F313-A329 HydrophobicContact CZ-CB 4.45Å; I325-A329 PolarHBondContact O-N 3.11Å; P326-A329 WeakPolarHBondContact O-CB 3.41Å; P326-A329 PolarHBondContact O-N 2.74Å; L327-A329 VanDerWaalsContact C-N 3.27Å; L327-A329 PolarHBondContact O-N 3.47Å; A329-N331 PolarHBondContact O-N 3.06Å; A329-F332 PolarHBondContact O-N 3.45Å; A329-F332 VanDerWaalsContact O-N 3.1Å
330	S	93.8	Very high	93.8	Very high	22 Å²	22	49.3 Å²	49.3	15%	0.154	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-66.1	-19.6	178.1	71.8	0	0	0	0	113.5	L327 L328 F332 I333	L327-S330 PolarHBondContact O-N 3.38Å; L327-S330 PolarHBondContact O-OG 3.14Å; L328-S330 PolarHBondContact O-N 3.12Å; S330-F332 PolarHBondContact O-N 2.88Å; S330-I333 WeakPolarHBondContact O-CB 3.24Å; S330-I333 WeakPolarHBondContact O-CG1 3.39Å; S330-I333 PolarHBondContact O-N 3.32Å
331	N	91.1	Very high	93.8	Very high	115 Å²	115	50.1 Å²	50.1	62%	0.615	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-68.5	-14.7	175.6	-64.5	-28.3	0	0	0	112.9	L328 A329	L328-N331 WeakPolarHBondContact O-CB 3.36Å; L328-N331 PolarHBondContact O-N 2.96Å; A329-N331 PolarHBondContact O-N 3.06Å
332	F	92.8	Very high	93.9	Very high	47 Å²	47	49.4 Å²	49.4	21%	0.206	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-104.9	9.6	179	-64.2	-90.4	0	0	0	112.4	I306 K307 A310 A329 S330 S334 I518	I306-F332 HydrophobicContact CG2-CD2 3.69Å; I306-F332 HydrophobicContact CG2-CE2 3.44Å; I306-F332 VanDerWaalsContact CG2-CE2 3.44Å; I306-F332 HydrophobicContact CG2-CZ 4.48Å; K307-F332 HydrophobicContact CG-CD1 4.47Å; K307-F332 HydrophobicContact CG-CE1 4.17Å; K307-F332 HydrophobicContact CG-CZ 4.29Å; A310-F332 HydrophobicContact CB-CB 3.62Å; A329-F332 PolarHBondContact O-N 3.45Å; A329-F332 VanDerWaalsContact O-N 3.1Å; S330-F332 PolarHBondContact O-N 2.88Å; F332-S334 PolarHBondContact O-N 3.4Å; F332-I518 HydrophobicContact CB-CD1 4.36Å; F332-I518 HydrophobicContact CB-CG2 4.01Å; F332-I518 HydrophobicContact CD1-CG2 3.85Å; F332-I518 HydrophobicContact CG-CG2 4.15Å; F332-I518 WeakPolarHBondContact O-CD1 3.17Å
333	I	92.3	Very high	94.1	Very high	36 Å²	36	48.7 Å²	48.7	19%	0.185	28%	0.276	C	S	.	.	S	Bend	trans	-62	125.3	170.2	-71.2	166.7	0	0	0	108	F313 S330 M337 V339	F313-I333 HydrophobicContact CB-CG1 4.29Å; F313-I333 HydrophobicContact CD1-CD1 4.08Å; F313-I333 HydrophobicContact CD1-CG1 4.32Å; F313-I333 HydrophobicContact CD2-CD1 4.02Å; F313-I333 HydrophobicContact CD2-CG1 3.49Å; F313-I333 VanDerWaalsContact CD2-CG1 3.49Å; F313-I333 HydrophobicContact CE1-CD1 4.16Å; F313-I333 HydrophobicContact CE2-CD1 4.09Å; F313-I333 HydrophobicContact CE2-CG1 3.89Å; F313-I333 HydrophobicContact CG-CD1 4.08Å; F313-I333 HydrophobicContact CG-CG1 3.79Å; F313-I333 HydrophobicContact CZ-CD1 4.18Å; F313-I333 HydrophobicContact CZ-CG1 4.47Å; S330-I333 WeakPolarHBondContact O-CB 3.24Å; S330-I333 WeakPolarHBondContact O-CG1 3.39Å; S330-I333 PolarHBondContact O-N 3.32Å; I333-M337 HydrophobicContact CB-CE 4.2Å; I333-M337 HydrophobicContact CG1-CE 4.2Å; I333-M337 HydrophobicContact CG2-CB 4.31Å; I333-M337 HydrophobicContact CG2-CE 3.74Å; I333-V339 HydrophobicContact CD1-CB 3.93Å; I333-V339 HydrophobicContact CD1-CG1 4.38Å; I333-V339 HydrophobicContact CD1-CG2 3.9Å; I333-V339 HydrophobicContact CG1-CG2 4.31Å; I333-V339 HydrophobicContact CG2-CG2 4.12Å
334	S	91.8	Very high	94.5	Very high	50 Å²	50	44.9 Å²	44.9	35%	0.35	26%	0.256	S	S	.	.			trans	-56.2	138.7	178	-177.8	0	0	0	0	110.4	F332 N336 M337	F332-S334 PolarHBondContact O-N 3.4Å; S334-N336 PolarHBondContact O-N 3.18Å; S334-N336 PolarHBondContact OG-N 3.33Å; S334-M337 WeakPolarHBondContact O-CB 3.49Å; S334-M337 PolarHBondContact O-N 3.37Å
335	P	90.3	Very high	94.9	Very high	133 Å²	133	43.6 Å²	43.6	86%	0.864	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-19.3	173.4	-25.7	34.6	0	0	0	114.3	M337	P335-M337 VanDerWaalsContact C-N 3.33Å
336	N	93.8	Very high	95.1	Very high	153 Å²	153	42.4 Å²	42.4	82%	0.818	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	5.7	176.9	-62.8	-34.2	0	0	0	113.3	S334	S334-N336 PolarHBondContact O-N 3.18Å; S334-N336 PolarHBondContact OG-N 3.33Å
337	M	96.1	Very high	95.3	Very high	39 Å²	39	42.3 Å²	42.3	19%	0.192	24%	0.236	C	C	.	.			trans	-122.1	132.9	-179.1	-177.4	169.1	64.2	0	0	109.8	F313 D315 I333 S334 P335 V339	F313-M337 HydrophobicContact CB-CE 3.41Å; F313-M337 VanDerWaalsContact CB-CE 3.41Å; F313-M337 HydrophobicContact CB-SD 4.16Å; F313-M337 HydrophobicContact CG-CE 4.46Å; D315-M337 HydrophobicContact CB-CG 3.98Å; I333-M337 HydrophobicContact CB-CE 4.2Å; I333-M337 HydrophobicContact CG1-CE 4.2Å; I333-M337 HydrophobicContact CG2-CB 4.31Å; I333-M337 HydrophobicContact CG2-CE 3.74Å; S334-M337 WeakPolarHBondContact O-CB 3.49Å; S334-M337 PolarHBondContact O-N 3.37Å; P335-M337 VanDerWaalsContact C-N 3.33Å; M337-V339 HydrophobicContact CE-CG2 4.27Å; M337-V339 HydrophobicContact CG-CG2 4.18Å; M337-V339 HydrophobicContact SD-CG2 4.49Å
338	T	97.2	Very high	95.6	Very high	79 Å²	79	42.5 Å²	42.5	49%	0.485	24%	0.237	S	C	.	.			trans	-103.2	120.9	177.2	-57.2	0	0	0	0	109.7	D315 G316	D315-T338 PolarHBondContact OD1-N 3.07Å; G316-T338 WeakPolarHBondContact CA-O 3.34Å; G316-T338 PolarHBondContact N-O 3.22Å
339	V	98.1	Very high	95.9	Very high	15 Å²	15	40.2 Å²	40.2	9%	0.091	23%	0.227	C	C	.	.			trans	-124.1	128	173.2	-177.7	0	0	0	0	108.9	F313 M317 A319 I333 M337 L341	F313-V339 HydrophobicContact CB-CG2 4.07Å; F313-V339 HydrophobicContact CD1-CG1 3.95Å; F313-V339 HydrophobicContact CD1-CG2 4.12Å; F313-V339 HydrophobicContact CE1-CG1 4.34Å; F313-V339 HydrophobicContact CG-CG2 4.35Å; M317-V339 HydrophobicContact CE-CG1 4.06Å; M317-V339 HydrophobicContact CG-CG1 3.87Å; M317-V339 HydrophobicContact CG-CG2 4.37Å; A319-V339 HydrophobicContact CB-CG1 4.01Å; I333-V339 HydrophobicContact CD1-CB 3.93Å; I333-V339 HydrophobicContact CD1-CG1 4.38Å; I333-V339 HydrophobicContact CD1-CG2 3.9Å; I333-V339 HydrophobicContact CG1-CG2 4.31Å; I333-V339 HydrophobicContact CG2-CG2 4.12Å; M337-V339 HydrophobicContact CE-CG2 4.27Å; M337-V339 HydrophobicContact CG-CG2 4.18Å; M337-V339 HydrophobicContact SD-CG2 4.49Å; V339-L341 HydrophobicContact CG1-CD2 3.87Å; V339-L341 PolarHBondContact O-N 2.89Å
340	H	98.3	Very high	96	Very high	66 Å²	66	41 Å²	41	31%	0.306	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	104.1	178.2	-62.9	-74.7	0	0	0	110.4	M317 Y318 A319 Q342 L348	M317-H340 PolarHBondContact O-N 2.81Å; Y318-H340 WeakPolarHBondContact CA-O 3.2Å; Y318-H340 HydrophobicContact CD1-CB 3.55Å; Y318-H340 HydrophobicContact CE1-CB 3.62Å; Y318-H340 AromaticContact CE1-CG 3.9Å; Y318-H340 HydrophobicContact CG-CB 4.23Å; Y318-H340 AromaticContact CZ-CD2 3.97Å; A319-H340 PolarHBondContact N-O 3.25Å; H340-Q342 PolarHBondContact O-N 3.47Å; H340-L348 HydrophobicContact CB-CD1 4.22Å
341	L	98.4	Very high	96.1	Very high	20 Å²	20	40.7 Å²	40.7	11%	0.105	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	118.2	-179.9	-61.1	-173.7	0	0	0	111.4	A319 L321 V339 G349 L350	A319-L341 HydrophobicContact CB-CD2 4.01Å; A319-L341 WeakPolarHBondContact O-CA 3.18Å; L321-L341 HydrophobicContact CD1-CD1 4.27Å; L321-L341 HydrophobicContact CD1-CD2 3.62Å; L321-L341 HydrophobicContact CG-CD2 4.15Å; V339-L341 HydrophobicContact CG1-CD2 3.87Å; V339-L341 PolarHBondContact O-N 2.89Å; L341-G349 PolarHBondContact O-N 2.84Å; L341-L350 HydrophobicContact CB-CB 3.88Å; L341-L350 PolarHBondContact O-N 3.05Å; L341-L350 VanDerWaalsContact O-N 3.07Å
342	Q	98.7	Very high	96.3	Very high	6 Å²	6	38 Å²	38	3%	0.028	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	137.5	174.8	-167.8	-84.4	-4.5	0	0	110	A319 N320 H340 V347 L348 F380 S385 V394	A319-Q342 PolarHBondContact O-N 3.2Å; N320-Q342 PolarHBondContact ND2-O 3.28Å; N320-Q342 PolarHBondContact ND2-OE1 2.58Å; H340-Q342 PolarHBondContact O-N 3.47Å; Q342-V347 CarbonylContact C-O 3.54Å; Q342-V347 WeakPolarHBondContact CA-O 3.4Å; Q342-L348 HydrophobicContact CB-CD1 4.09Å; Q342-L348 HydrophobicContact CG-CD1 4.44Å; Q342-F380 HydrophobicContact CG-CZ 4.42Å; Q342-S385 PolarHBondContact NE2-OG 3.27Å; Q342-S385 VanDerWaalsContact NE2-OG 3.13Å; Q342-V394 HydrophobicContact CG-CG2 4.5Å
343	S	98.2	Very high	96.4	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	127	173.2	-159	0	0	0	0	109.8	N345 G346 V347 A366	S343-N345 VanDerWaalsContact CB-OD1 3.25Å; S343-N345 WeakPolarHBondContact CB-OD1 3.24Å; S343-N345 PolarHBondContact O-N 2.91Å; S343-N345 PolarHBondContact OG-OD1 2.9Å; S343-G346 PolarHBondContact O-N 2.86Å; S343-V347 PolarHBondContact N-O 3.49Å; S343-V347 PolarHBondContact O-N 3.39Å; S343-A366 PolarHBondContact OG-N 2.76Å; S343-A366 VanDerWaalsContact OG-N 3.13Å
344	E	97.4	Very high	96.6	Very high	22 Å²	22	37.5 Å²	37.5	10%	0.103	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-18.8	-173	69.1	-167.9	-119.5	0	0	114.4	Q138 G346 A366 S385 F386 I389 G425	Q138-E344 PolarHBondContact OE1-OE1 2.79Å; E344-G346 VanDerWaalsContact C-N 3.27Å; E344-G346 PolarHBondContact O-N 3.46Å; E344-A366 HydrophobicContact CG-CB 3.77Å; E344-S385 VanDerWaalsContact C-OG 3.23Å; E344-S385 WeakPolarHBondContact CA-OG 3.43Å; E344-S385 WeakPolarHBondContact O-CB 3.5Å; E344-S385 PolarHBondContact O-OG 2.99Å; E344-F386 HydrophobicContact CB-CE1 4.42Å; E344-F386 HydrophobicContact CB-CE2 4.31Å; E344-F386 HydrophobicContact CB-CZ 3.8Å; E344-F386 HydrophobicContact CG-CZ 4.37Å; E344-I389 HydrophobicContact CB-CD1 4.16Å; E344-G425 PolarHBondContact OE1-N 3.4Å
345	N	98	Very high	96.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.7	4.1	175.9	67.5	-52.3	0	0	0	114.7	F64 S226 S343 I364	F64-N345 HydrophobicContact CB-CB 4.41Å; F64-N345 HydrophobicContact CD1-CB 3.49Å; F64-N345 VanDerWaalsContact CD1-CB 3.49Å; F64-N345 HydrophobicContact CD2-CB 3.84Å; F64-N345 HydrophobicContact CE1-CB 3.52Å; F64-N345 HydrophobicContact CE2-CB 3.91Å; F64-N345 HydrophobicContact CG-CB 3.65Å; F64-N345 HydrophobicContact CZ-CB 3.75Å; S226-N345 WeakPolarHBondContact CB-ND2 3.49Å; S343-N345 VanDerWaalsContact CB-OD1 3.25Å; S343-N345 WeakPolarHBondContact CB-OD1 3.24Å; S343-N345 PolarHBondContact O-N 2.91Å; S343-N345 PolarHBondContact OG-OD1 2.9Å; N345-I364 PolarHBondContact ND2-O 2.72Å
346	G	98.4	Very high	96.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	115	33.6	170	0	0	0	0	0	115.3	S343 E344 F379 F380	S343-G346 PolarHBondContact O-N 2.86Å; E344-G346 VanDerWaalsContact C-N 3.27Å; E344-G346 PolarHBondContact O-N 3.46Å; G346-F379 WeakPolarHBondContact O-CA 3.22Å; G346-F380 VanDerWaalsContact CA-O 3.29Å; G346-F380 WeakPolarHBondContact CA-O 3.44Å; G346-F380 PolarHBondContact O-N 3.42Å
347	V	98.8	Very high	96.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	136	-179.2	-168.3	0	0	0	0	110.3	Q342 S343 L350 L363 V373 F379 F380	Q342-V347 CarbonylContact C-O 3.54Å; Q342-V347 WeakPolarHBondContact CA-O 3.4Å; S343-V347 PolarHBondContact N-O 3.49Å; S343-V347 PolarHBondContact O-N 3.39Å; V347-L350 HydrophobicContact CB-CD2 4.09Å; V347-L350 HydrophobicContact CG1-CD2 3.81Å; V347-L350 HydrophobicContact CG1-CG 4.36Å; V347-L363 HydrophobicContact CG2-CD1 4.47Å; V347-V373 HydrophobicContact CG1-CG1 3.7Å; V347-F379 HydrophobicContact CG1-CD1 4.29Å; V347-F379 HydrophobicContact CG1-CE1 3.95Å; V347-F379 HydrophobicContact CG2-CD1 4.01Å; V347-F379 HydrophobicContact CG2-CE1 3.99Å; V347-F380 VanDerWaalsContact N-CZ 3.34Å; V347-F380 WeakPolarHBondContact O-CZ 3.3Å
348	L	98.7	Very high	96.9	Very high	32 Å²	32	40.1 Å²	40.1	17%	0.168	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	128.5	167.8	174.1	65.8	0	0	0	108.7	Y318 H340 Q342 A377 S378 F380	Y318-L348 HydrophobicContact CD1-CD1 3.7Å; Y318-L348 HydrophobicContact CE1-CD1 3.92Å; Y318-L348 HydrophobicContact CE1-CD2 4.04Å; Y318-L348 HydrophobicContact CE1-CG 4.47Å; H340-L348 HydrophobicContact CB-CD1 4.22Å; Q342-L348 HydrophobicContact CB-CD1 4.09Å; Q342-L348 HydrophobicContact CG-CD1 4.44Å; L348-A377 CarbonylContact O-C 3.48Å; L348-A377 WeakPolarHBondContact O-CA 3.16Å; L348-A377 WeakPolarHBondContact O-CB 3.38Å; L348-S378 PolarHBondContact N-O 3.47Å; L348-S378 PolarHBondContact O-N 2.76Å; L348-F380 HydrophobicContact CB-CE1 3.58Å; L348-F380 HydrophobicContact CB-CZ 4.09Å
349	G	97.9	Very high	96.9	Very high	7 Å²	7	37.8 Å²	37.8	7%	0.072	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.2	44.2	-172.6	0	0	0	0	0	112.7	L341 G351 V373 L374	L341-G349 PolarHBondContact O-N 2.84Å; G349-G351 PolarHBondContact O-N 3.17Å; G349-V373 WeakPolarHBondContact O-CA 3.44Å; G349-L374 PolarHBondContact O-N 3.48Å
350	L	96.9	Very high	96.9	Very high	16 Å²	16	38.2 Å²	38.2	8%	0.084	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.3	135.5	171.6	-74.9	178.8	0	0	0	110.9	L341 V347 N365 V371	L341-L350 HydrophobicContact CB-CB 3.88Å; L341-L350 PolarHBondContact O-N 3.05Å; L341-L350 VanDerWaalsContact O-N 3.07Å; V347-L350 HydrophobicContact CB-CD2 4.09Å; V347-L350 HydrophobicContact CG1-CD2 3.81Å; V347-L350 HydrophobicContact CG1-CG 4.36Å; L350-N365 HydrophobicContact CD1-CB 4.33Å; L350-V371 HydrophobicContact CD2-CB 4.33Å; L350-V371 HydrophobicContact CD2-CG2 3.67Å
351	G	95.2	Very high	96.9	Very high	15 Å²	15	35.8 Å²	35.8	16%	0.155	18%	0.182	C	C	.	.			trans	-102	-174.6	171	0	0	0	0	0	112.1	G349 T372	G349-G351 PolarHBondContact O-N 3.17Å; G351-T372 PolarHBondContact N-O 3.45Å
352	P	94.4	Very high	97	Very high	58 Å²	58	35.2 Å²	35.2	38%	0.377	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-64.8	172.9	176.1	28.2	-35.5	0	0	0	112.2	T372	P352-T372 WeakPolarHBondContact CD-OG1 3.03Å; P352-T372 WeakPolarHBondContact O-CB 3.04Å; P352-T372 PolarHBondContact O-N 3.44Å; P352-T372 PolarHBondContact O-OG1 2.79Å
353	Y	95.4	Very high	97	Very high	73 Å²	73	35.2 Å²	35.2	29%	0.286	18%	0.179	S	C	.	.	P	Polyproline II helix	trans	-56.4	145.6	168.9	-61.6	-40.9	0	0	0	111.3	R285 E369 T370 V371	R285-Y353 WeakPolarHBondContact CD-O 3.11Å; R285-Y353 VanDerWaalsContact CG-O 3.28Å; R285-Y353 WeakPolarHBondContact CG-O 3.26Å; R285-Y353 PolarHBondContact NE-O 3.4Å; Y353-E369 HydrophobicContact CE1-CB 4.21Å; Y353-E369 PolarHBondContact OH-OE1 3.13Å; Y353-E369 PolarHBondContact OH-OE2 3.02Å; Y353-T370 WeakPolarHBondContact CD1-O 3.42Å; Y353-V371 HydrophobicContact CD1-CG1 4.21Å; Y353-V371 HydrophobicContact CE1-CG1 4.42Å
354	P	96.4	Very high	97	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-70.1	156.6	-179.2	28.8	-35.4	0	0	0	112.1	S283 I284 R285 E358 A359 T370 T372	S283-P354 WeakPolarHBondContact O-CD 3.41Å; I284-P354 VanDerWaalsContact CA-O 3.27Å; I284-P354 WeakPolarHBondContact CA-O 3.35Å; R285-P354 PolarHBondContact N-O 3.16Å; P354-E358 HydrophobicContact CB-CB 3.63Å; P354-A359 HydrophobicContact CG-CB 4.19Å; P354-T370 WeakPolarHBondContact CD-O 3.43Å; P354-T372 HydrophobicContact CB-CG2 3.76Å
355	R	95	Very high	96.9	Very high	92 Å²	92	34.8 Å²	34.8	35%	0.347	18%	0.177	S	C	.	.	P	Polyproline II helix	trans	-67.5	162.2	157	-64.4	176.5	176.7	169.4	-2.7	109.2	R285 H357 E358 A359	R285-R355 HydrophobicContact CG-CG 4.45Å; R355-H357 PolarHBondContact O-N 3.04Å; R355-H357 VanDerWaalsContact O-N 3.08Å; R355-E358 HydrophobicContact CB-CG 4.12Å; R355-E358 WeakPolarHBondContact CB-OE2 3.22Å; R355-E358 WeakPolarHBondContact CG-OE2 3.35Å; R355-E358 PolarHBondContact N-OE2 3.49Å; R355-E358 WeakPolarHBondContact O-CB 3.34Å; R355-E358 PolarHBondContact O-N 2.73Å; R355-A359 PolarHBondContact O-N 3.22Å
356	Q	94.1	Very high	96.8	Very high	120 Å²	120	35.8 Å²	35.8	56%	0.561	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-40.4	-177.5	-174.2	64.1	31.7	0	0	113.8	E358	Q356-E358 VanDerWaalsContact C-N 3.35Å
357	H	94.3	Very high	96.5	Very high	147 Å²	147	36.1 Å²	36.1	68%	0.681	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-11.5	-179.3	67	-90.7	0	0	0	114	R355	R355-H357 PolarHBondContact O-N 3.04Å; R355-H357 VanDerWaalsContact O-N 3.08Å
358	E	95.9	Very high	96.4	Very high	71 Å²	71	37 Å²	37	33%	0.332	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	-11.7	178.3	-60.9	174.1	147.3	0	0	111.9	R285 P354 R355 Q356 D360	R285-E358 IonicContact NH2-OE2 2.79Å; P354-E358 HydrophobicContact CB-CB 3.63Å; R355-E358 HydrophobicContact CB-CG 4.12Å; R355-E358 WeakPolarHBondContact CB-OE2 3.22Å; R355-E358 WeakPolarHBondContact CG-OE2 3.35Å; R355-E358 PolarHBondContact N-OE2 3.49Å; R355-E358 WeakPolarHBondContact O-CB 3.34Å; R355-E358 PolarHBondContact O-N 2.73Å; Q356-E358 VanDerWaalsContact C-N 3.35Å; E358-D360 PolarHBondContact O-N 3.37Å
359	A	97.2	Very high	96.3	Very high	30 Å²	30	37 Å²	37	25%	0.248	19%	0.192	C	C	.	.			trans	-60.5	128.1	-178.2	0	0	0	0	0	111	L282 P354 R355	L282-A359 HydrophobicContact CD1-CB 3.9Å; P354-A359 HydrophobicContact CG-CB 4.19Å; R355-A359 PolarHBondContact O-N 3.22Å
360	D	98.3	Very high	96.3	Very high	25 Å²	25	36.7 Å²	36.7	13%	0.134	19%	0.189	C	C	.	.			trans	-142.4	122.1	-172.2	-170.4	-27.8	0	0	0	110	R224 K225 E358 D362 L363	R224-D360 IonicContact CZ-OD1 2.79Å; R224-D360 IonicContact CZ-OD2 3.91Å; R224-D360 VanDerWaalsContact NH1-CG 3.26Å; R224-D360 IonicContact NH1-OD1 2.74Å; R224-D360 PolarHBondContact NH1-OD1 3.12Å; R224-D360 IonicContact NH1-OD2 3.72Å; R224-D360 PolarHBondContact NH1-OD2 2.89Å; R224-D360 IonicContact NH2-OD2 3.28Å; R224-D360 PolarHBondContact NH2-OD2 3.48Å; K225-D360 WeakPolarHBondContact CE-OD2 3.38Å; K225-D360 IonicContact NZ-OD2 3.78Å; K225-D360 PolarHBondContact NZ-OD2 2.91Å; E358-D360 PolarHBondContact O-N 3.37Å; D360-D362 PolarHBondContact O-N 3.25Å; D360-D362 PolarHBondContact OD1-N 3Å; D360-L363 HydrophobicContact CB-CB 4.31Å; D360-L363 PolarHBondContact O-N 3.07Å
361	A	98.3	Very high	96.3	Very high	14 Å²	14	36.2 Å²	36.2	12%	0.116	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-22.2	-178.2	0	0	0	0	0	113.7	C67 K277 I279 L363	C67-A361 PolarHBondContact SG-O 3.39Å; C67-A361 VanDerWaalsContact SG-O 3.39Å; K277-A361 HydrophobicContact CB-CB 3.85Å; K277-A361 WeakPolarHBondContact O-CB 3.34Å; I279-A361 HydrophobicContact CD1-CB 4.44Å; I279-A361 HydrophobicContact CG1-CB 3.71Å; A361-L363 PolarHBondContact O-N 3.45Å
362	D	98.6	Very high	96.4	Very high	8 Å²	8	36.4 Å²	36.4	4%	0.043	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-1.1	175.9	-59.2	-32.5	0	0	0	112.1	R224 K225 S226 A227 K277 D360	R224-D362 IonicContact CZ-OD2 3.18Å; R224-D362 IonicContact NH1-OD2 3.96Å; R224-D362 PolarHBondContact NH1-OD2 3.48Å; K225-D362 HydrophobicContact CB-CB 4.3Å; K225-D362 VanDerWaalsContact CB-O 3.27Å; K225-D362 WeakPolarHBondContact CB-O 3.21Å; S226-D362 WeakPolarHBondContact CA-O 3.29Å; S226-D362 WeakPolarHBondContact CB-O 3.23Å; S226-D362 PolarHBondContact N-O 3.01Å; S226-D362 PolarHBondContact OG-O 2.78Å; A227-D362 HydrophobicContact CB-CB 4.09Å; A227-D362 PolarHBondContact N-O 3.21Å; K277-D362 IonicContact NZ-OD1 2.69Å; K277-D362 IonicContact NZ-OD2 2.91Å; K277-D362 PolarHBondContact NZ-OD2 2.85Å; D360-D362 PolarHBondContact O-N 3.25Å; D360-D362 PolarHBondContact OD1-N 3Å
363	L	98.6	Very high	96.6	Very high	7 Å²	7	36 Å²	36	4%	0.037	18%	0.181	C	C	.	.			trans	-128.7	94.2	-178.4	-170.2	55.4	0	0	0	112.6	K225 S226 V347 D360 A361 V371 V373 F379	K225-L363 HydrophobicContact CB-CD1 4.44Å; K225-L363 HydrophobicContact CD-CB 3.82Å; K225-L363 HydrophobicContact CD-CD2 4.16Å; K225-L363 HydrophobicContact CD-CG 4.4Å; S226-L363 WeakPolarHBondContact OG-CA 3.36Å; V347-L363 HydrophobicContact CG2-CD1 4.47Å; D360-L363 HydrophobicContact CB-CB 4.31Å; D360-L363 PolarHBondContact O-N 3.07Å; A361-L363 PolarHBondContact O-N 3.45Å; L363-V371 HydrophobicContact CD1-CG2 4.26Å; L363-V371 WeakPolarHBondContact CD2-O 3.46Å; L363-V371 HydrophobicContact CG-CG2 4.02Å; L363-V371 VanDerWaalsContact CG-O 3.3Å; L363-V371 WeakPolarHBondContact CG-O 3.42Å; L363-V371 PolarHBondContact O-N 3.38Å; L363-V371 VanDerWaalsContact O-N 3.17Å; L363-V373 HydrophobicContact CD1-CG1 4Å; L363-V373 HydrophobicContact CD2-CG1 4.22Å; L363-F379 HydrophobicContact CD1-CE1 3.63Å; L363-F379 HydrophobicContact CD1-CZ 3.97Å
364	I	98.3	Very high	96.7	Very high	8 Å²	8	36.8 Å²	36.8	4%	0.041	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-128.9	160.5	178.7	60.7	163.4	0	0	0	111.7	F64 C67 S226 N345 K368 E369	F64-I364 HydrophobicContact CD1-CD1 3.88Å; F64-I364 HydrophobicContact CE1-CD1 4.39Å; C67-I364 HydrophobicContact CB-CD1 3.42Å; C67-I364 VanDerWaalsContact CB-CD1 3.42Å; C67-I364 HydrophobicContact CB-CG1 3.76Å; S226-I364 PolarHBondContact OG-N 2.88Å; S226-I364 VanDerWaalsContact OG-N 3.17Å; N345-I364 PolarHBondContact ND2-O 2.72Å; I364-K368 HydrophobicContact CD1-CD 3.92Å; I364-E369 CarbonylContact C-O 3.56Å; I364-E369 WeakPolarHBondContact CA-O 3.39Å; I364-E369 WeakPolarHBondContact CB-O 3.1Å
365	N	97.1	Very high	96.8	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.037	23%	0.231	C	C	.	.			trans	-86.3	179.5	167.8	69.2	11.9	0	0	0	112.1	L350 G367 K368 E369 V371	L350-N365 HydrophobicContact CD1-CB 4.33Å; N365-G367 PolarHBondContact O-N 2.9Å; N365-G367 VanDerWaalsContact OD1-C 3.29Å; N365-G367 VanDerWaalsContact OD1-CA 3.24Å; N365-G367 WeakPolarHBondContact OD1-CA 3.48Å; N365-G367 PolarHBondContact OD1-N 2.95Å; N365-K368 PolarHBondContact O-N 3.48Å; N365-K368 PolarHBondContact OD1-N 3.09Å; N365-K368 VanDerWaalsContact OD1-N 3.14Å; N365-E369 PolarHBondContact N-O 2.58Å; N365-E369 PolarHBondContact ND2-OE2 3.27Å; N365-E369 WeakPolarHBondContact OD1-CB 3.47Å; N365-E369 PolarHBondContact OD1-N 2.96Å; N365-V371 HydrophobicContact CB-CG1 3.77Å; N365-V371 HydrophobicContact CB-CG2 4.47Å
366	A	94.6	Very high	96.9	Very high	21 Å²	21	42.9 Å²	42.9	17%	0.174	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-32.4	174.7	0	0	0	0	0	113.5	F64 S343 E344 K368	F64-A366 WeakPolarHBondContact CZ-O 3.43Å; S343-A366 PolarHBondContact OG-N 2.76Å; S343-A366 VanDerWaalsContact OG-N 3.13Å; E344-A366 HydrophobicContact CG-CB 3.77Å; A366-K368 PolarHBondContact O-N 2.94Å; A366-K368 PolarHBondContact O-NZ 3.27Å
367	G	93.7	Very high	97.1	Very high	7 Å²	7	38.8 Å²	38.8	7%	0.072	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	4.5	177.4	0	0	0	0	0	115.8	R281 N365 E369	R281-G367 PolarHBondContact NH1-O 3.47Å; N365-G367 PolarHBondContact O-N 2.9Å; N365-G367 VanDerWaalsContact OD1-C 3.29Å; N365-G367 VanDerWaalsContact OD1-CA 3.24Å; N365-G367 WeakPolarHBondContact OD1-CA 3.48Å; N365-G367 PolarHBondContact OD1-N 2.95Å; G367-E369 PolarHBondContact O-N 3.46Å
368	K	95.8	Very high	97.3	Very high	18 Å²	18	34.2 Å²	34.2	8%	0.078	23%	0.228	C	C	.	.	S	Bend	trans	68.4	18.2	-178.9	-42.6	-58	-177.9	-67.5	0	114.6	F64 E280 R281 I364 N365 A366	F64-K368 HydrophobicContact CD1-CD 3.71Å; F64-K368 VanDerWaalsContact CD1-CE 3.48Å; F64-K368 HydrophobicContact CE1-CD 3.46Å; F64-K368 VanDerWaalsContact CE1-CD 3.46Å; F64-K368 HydrophobicContact CZ-CD 4.32Å; E280-K368 HydrophobicContact CB-CB 4.22Å; E280-K368 HydrophobicContact CG-CB 4.38Å; E280-K368 WeakPolarHBondContact OE1-CG 3.39Å; R281-K368 WeakPolarHBondContact CB-O 3.35Å; R281-K368 PolarHBondContact N-O 3.04Å; I364-K368 HydrophobicContact CD1-CD 3.92Å; N365-K368 PolarHBondContact O-N 3.48Å; N365-K368 PolarHBondContact OD1-N 3.09Å; N365-K368 VanDerWaalsContact OD1-N 3.14Å; A366-K368 PolarHBondContact O-N 2.94Å; A366-K368 PolarHBondContact O-NZ 3.27Å
369	E	96.1	Very high	97.4	Very high	34 Å²	34	33.3 Å²	33.3	16%	0.159	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-92.5	142.6	178.2	-55.2	174.8	101.8	0	0	110.7	R281 S283 Y353 I364 N365 G367	R281-E369 HydrophobicContact CB-CG 4.19Å; R281-E369 WeakPolarHBondContact O-CA 3.48Å; S283-E369 PolarHBondContact OG-OE1 2.84Å; S283-E369 VanDerWaalsContact OG-OE1 3.14Å; Y353-E369 HydrophobicContact CE1-CB 4.21Å; Y353-E369 PolarHBondContact OH-OE1 3.13Å; Y353-E369 PolarHBondContact OH-OE2 3.02Å; I364-E369 CarbonylContact C-O 3.56Å; I364-E369 WeakPolarHBondContact CA-O 3.39Å; I364-E369 WeakPolarHBondContact CB-O 3.1Å; N365-E369 PolarHBondContact N-O 2.58Å; N365-E369 PolarHBondContact ND2-OE2 3.27Å; N365-E369 WeakPolarHBondContact OD1-CB 3.47Å; N365-E369 PolarHBondContact OD1-N 2.96Å; G367-E369 PolarHBondContact O-N 3.46Å
370	T	97.7	Very high	97.5	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	21%	0.214	C	C	.	.	B	Isolated β-bridge	trans	-62.5	134.9	172.4	43.8	0	0	0	0	111.8	I279 R281 L282 S283 Y353 P354	I279-T370 HydrophobicContact CD1-CG2 3.94Å; I279-T370 HydrophobicContact CG1-CG2 4.27Å; I279-T370 HydrophobicContact CG2-CG2 3.59Å; R281-T370 PolarHBondContact O-N 3.36Å; L282-T370 HydrophobicContact CD1-CG2 4.27Å; S283-T370 PolarHBondContact N-OG1 3.4Å; S283-T370 PolarHBondContact O-OG1 3.38Å; Y353-T370 WeakPolarHBondContact CD1-O 3.42Å; P354-T370 WeakPolarHBondContact CD-O 3.43Å
371	V	97.4	Very high	97.5	Very high	5 Å²	5	31.8 Å²	31.8	3%	0.03	21%	0.21	C	C	.	.			trans	-136.6	168.2	-178.4	-67.3	0	0	0	0	111.5	L350 Y353 L363 N365	L350-V371 HydrophobicContact CD2-CB 4.33Å; L350-V371 HydrophobicContact CD2-CG2 3.67Å; Y353-V371 HydrophobicContact CD1-CG1 4.21Å; Y353-V371 HydrophobicContact CE1-CG1 4.42Å; L363-V371 HydrophobicContact CD1-CG2 4.26Å; L363-V371 WeakPolarHBondContact CD2-O 3.46Å; L363-V371 HydrophobicContact CG-CG2 4.02Å; L363-V371 VanDerWaalsContact CG-O 3.3Å; L363-V371 WeakPolarHBondContact CG-O 3.42Å; L363-V371 PolarHBondContact O-N 3.38Å; L363-V371 VanDerWaalsContact O-N 3.17Å; N365-V371 HydrophobicContact CB-CG1 3.77Å; N365-V371 HydrophobicContact CB-CG2 4.47Å
372	T	97.9	Very high	97.6	Very high	20 Å²	20	31.1 Å²	31.1	12%	0.123	21%	0.205	C	C	.	.			trans	-105.1	-179.9	165.2	63.2	0	0	0	0	110.3	G351 P352 P354	G351-T372 PolarHBondContact N-O 3.45Å; P352-T372 WeakPolarHBondContact CD-OG1 3.03Å; P352-T372 WeakPolarHBondContact O-CB 3.04Å; P352-T372 PolarHBondContact O-N 3.44Å; P352-T372 PolarHBondContact O-OG1 2.79Å; P354-T372 HydrophobicContact CB-CG2 3.76Å
373	V	98.4	Very high	97.6	Very high	50 Å²	50	31.5 Å²	31.5	30%	0.303	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	150.1	170.8	-69	0	0	0	0	109.6	V347 G349 L363 A377 F379	V347-V373 HydrophobicContact CG1-CG1 3.7Å; G349-V373 WeakPolarHBondContact O-CA 3.44Å; L363-V373 HydrophobicContact CD1-CG1 4Å; L363-V373 HydrophobicContact CD2-CG1 4.22Å; V373-A377 HydrophobicContact CB-CB 3.63Å; V373-A377 HydrophobicContact CG1-CB 4.17Å; V373-A377 HydrophobicContact CG2-CB 4.16Å; V373-F379 HydrophobicContact CG1-CE1 4.16Å; V373-F379 HydrophobicContact CG1-CZ 3.98Å; V373-F379 HydrophobicContact CG2-CZ 4.33Å
374	L	97.3	Very high	97.6	Very high	88 Å²	88	35.7 Å²	35.7	46%	0.461	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	160.4	176.1	-61.8	179.7	0	0	0	111.3	G349 G376 A377	G349-L374 PolarHBondContact O-N 3.48Å; L374-G376 PolarHBondContact O-N 3.42Å; L374-A377 WeakPolarHBondContact O-CB 3.47Å; L374-A377 PolarHBondContact O-N 3.07Å; L374-A377 VanDerWaalsContact O-N 3.12Å
375	P	97.7	Very high	97.6	Very high	134 Å²	134	35.3 Å²	35.3	87%	0.87	23%	0.225	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-53	136.9	170.2	-26.3	35.8	0	0	0	112	A377	P375-A377 VanDerWaalsContact C-N 3.35Å
376	G	97.3	Very high	97.7	Very high	87 Å²	87	35 Å²	35	90%	0.897	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	85.6	1.5	-175.1	0	0	0	0	0	114.8	L374	L374-G376 PolarHBondContact O-N 3.42Å
377	A	98.4	Very high	97.9	Very high	33 Å²	33	36 Å²	36	27%	0.273	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	156.1	175.2	0	0	0	0	0	113.4	L348 V373 L374 P375	L348-A377 CarbonylContact O-C 3.48Å; L348-A377 WeakPolarHBondContact O-CA 3.16Å; L348-A377 WeakPolarHBondContact O-CB 3.38Å; V373-A377 HydrophobicContact CB-CB 3.63Å; V373-A377 HydrophobicContact CG1-CB 4.17Å; V373-A377 HydrophobicContact CG2-CB 4.16Å; L374-A377 WeakPolarHBondContact O-CB 3.47Å; L374-A377 PolarHBondContact O-N 3.07Å; L374-A377 VanDerWaalsContact O-N 3.12Å; P375-A377 VanDerWaalsContact C-N 3.35Å
378	S	98.8	Very high	98.2	Very high	51 Å²	51	37.3 Å²	37.3	36%	0.357	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	155.8	177	65.8	0	0	0	0	112.5	L348	L348-S378 PolarHBondContact N-O 3.47Å; L348-S378 PolarHBondContact O-N 2.76Å
379	F	98.9	Very high	98.3	Very high	53 Å²	53	36.6 Å²	36.6	23%	0.232	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	139.1	175.9	-60.9	-70.3	0	0	0	110.5	K225 R228 G346 V347 L363 V373	K225-F379 VanDerWaalsContact C-CD1 3.47Å; K225-F379 HydrophobicContact CB-CD1 4.34Å; K225-F379 HydrophobicContact CB-CE1 3.91Å; K225-F379 HydrophobicContact CB-CE2 4.2Å; K225-F379 HydrophobicContact CB-CZ 3.83Å; K225-F379 HydrophobicContact CG-CE1 4.48Å; K225-F379 HydrophobicContact CG-CE2 4.02Å; K225-F379 HydrophobicContact CG-CZ 3.88Å; R228-F379 PolarHBondContact NH1-O 3.06Å; R228-F379 PolarHBondContact NH2-O 3.22Å; G346-F379 WeakPolarHBondContact O-CA 3.22Å; V347-F379 HydrophobicContact CG1-CD1 4.29Å; V347-F379 HydrophobicContact CG1-CE1 3.95Å; V347-F379 HydrophobicContact CG2-CD1 4.01Å; V347-F379 HydrophobicContact CG2-CE1 3.99Å; L363-F379 HydrophobicContact CD1-CE1 3.63Å; L363-F379 HydrophobicContact CD1-CZ 3.97Å; V373-F379 HydrophobicContact CG1-CE1 4.16Å; V373-F379 HydrophobicContact CG1-CZ 3.98Å; V373-F379 HydrophobicContact CG2-CZ 4.33Å
380	F	98.8	Very high	98.4	Very high	14 Å²	14	36.9 Å²	36.9	6%	0.061	23%	0.232	C	C	.	.			trans	-146.6	168.8	-176.7	42.6	-90.2	0	0	0	110.8	Q342 G346 V347 L348 E384 S385 M388	Q342-F380 HydrophobicContact CG-CZ 4.42Å; G346-F380 VanDerWaalsContact CA-O 3.29Å; G346-F380 WeakPolarHBondContact CA-O 3.44Å; G346-F380 PolarHBondContact O-N 3.42Å; V347-F380 VanDerWaalsContact N-CZ 3.34Å; V347-F380 WeakPolarHBondContact O-CZ 3.3Å; L348-F380 HydrophobicContact CB-CE1 3.58Å; L348-F380 HydrophobicContact CB-CZ 4.09Å; F380-E384 HydrophobicContact CB-CB 4.09Å; F380-E384 HydrophobicContact CB-CG 3.89Å; F380-E384 HydrophobicContact CG-CG 4.36Å; F380-S385 VanDerWaalsContact CE2-CB 3.5Å; F380-M388 HydrophobicContact CD1-CE 3.84Å; F380-M388 HydrophobicContact CD2-CE 3.36Å; F380-M388 HydrophobicContact CE1-CE 3.65Å; F380-M388 HydrophobicContact CE2-CE 3.14Å; F380-M388 HydrophobicContact CG-CE 3.72Å; F380-M388 HydrophobicContact CZ-CE 3.3Å
381	S	98.9	Very high	98.4	Very high	8 Å²	8	38.2 Å²	38.2	6%	0.056	25%	0.246	C	C	.	.			trans	-80.9	167.9	178.4	54	0	0	0	0	111.7	N229 D383 E384 S385	N229-S381 WeakPolarHBondContact O-CA 3.37Å; S381-D383 VanDerWaalsContact C-N 3.34Å; S381-D383 WeakPolarHBondContact CB-OD1 3.21Å; S381-D383 PolarHBondContact O-N 3.11Å; S381-D383 PolarHBondContact OG-OD1 3.26Å; S381-E384 PolarHBondContact O-N 3.35Å; S381-S385 WeakPolarHBondContact O-CB 3.49Å; S381-S385 PolarHBondContact O-N 3.25Å
382	S	98.9	Very high	98.5	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-65.4	-35.3	-179.7	-66.8	0	0	0	0	112.6	N229 F230 S385 F386	N229-S382 WeakPolarHBondContact CA-OG 3.37Å; N229-S382 PolarHBondContact O-N 2.89Å; F230-S382 VanDerWaalsContact CD2-OG 3.28Å; F230-S382 WeakPolarHBondContact CD2-OG 3.43Å; F230-S382 WeakPolarHBondContact CE2-OG 3.41Å; F230-S382 PolarHBondContact N-OG 3.21Å; S382-S385 WeakPolarHBondContact O-CB 3.48Å; S382-S385 PolarHBondContact O-N 3.38Å; S382-F386 VanDerWaalsContact O-CD2 3.25Å; S382-F386 WeakPolarHBondContact O-CD2 3.25Å; S382-F386 PolarHBondContact O-N 2.88Å; S382-F386 VanDerWaalsContact O-N 3.08Å
383	D	98.9	Very high	98.5	Very high	17 Å²	17	43.8 Å²	43.8	9%	0.091	27%	0.274	C	S	.	.	H	α-helix	trans	-62.2	-46.1	174.7	56.2	-56	0	0	0	111.8	A142 R146 P233 S381 S385 F386 A387	A142-D383 HydrophobicContact CB-CB 4.37Å; R146-D383 HydrophobicContact CB-CB 4.05Å; R146-D383 HydrophobicContact CG-CB 4.14Å; P233-D383 HydrophobicContact CB-CB 4.34Å; P233-D383 WeakPolarHBondContact CD-OD1 3.36Å; P233-D383 HydrophobicContact CG-CB 4.47Å; P233-D383 WeakPolarHBondContact CG-OD1 3.33Å; S381-D383 VanDerWaalsContact C-N 3.34Å; S381-D383 WeakPolarHBondContact CB-OD1 3.21Å; S381-D383 PolarHBondContact O-N 3.11Å; S381-D383 PolarHBondContact OG-OD1 3.26Å; D383-S385 PolarHBondContact O-N 3Å; D383-F386 PolarHBondContact O-N 2.93Å; D383-A387 WeakPolarHBondContact O-CB 3.27Å; D383-A387 PolarHBondContact O-N 3.01Å
384	E	98.9	Very high	98.5	Very high	95 Å²	95	41.6 Å²	41.6	44%	0.444	26%	0.261	S	S	.	.	H	α-helix	trans	-64.5	-40.9	175.1	-177.3	57.8	-144	0	0	112.1	F380 S381 F386 A387 M388	F380-E384 HydrophobicContact CB-CB 4.09Å; F380-E384 HydrophobicContact CB-CG 3.89Å; F380-E384 HydrophobicContact CG-CG 4.36Å; S381-E384 PolarHBondContact O-N 3.35Å; E384-F386 VanDerWaalsContact C-N 3.29Å; E384-F386 PolarHBondContact O-N 3.25Å; E384-A387 WeakPolarHBondContact O-CB 3.35Å; E384-A387 PolarHBondContact O-N 3.22Å; E384-M388 HydrophobicContact CG-CE 4.27Å; E384-M388 PolarHBondContact O-N 3.04Å
385	S	98.9	Very high	98.6	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-53.3	-48.1	175.8	-175.3	0	0	0	0	111.9	Q342 E344 F380 S381 S382 D383 M388 I389	Q342-S385 PolarHBondContact NE2-OG 3.27Å; Q342-S385 VanDerWaalsContact NE2-OG 3.13Å; E344-S385 VanDerWaalsContact C-OG 3.23Å; E344-S385 WeakPolarHBondContact CA-OG 3.43Å; E344-S385 WeakPolarHBondContact O-CB 3.5Å; E344-S385 PolarHBondContact O-OG 2.99Å; F380-S385 VanDerWaalsContact CE2-CB 3.5Å; S381-S385 WeakPolarHBondContact O-CB 3.49Å; S381-S385 PolarHBondContact O-N 3.25Å; S382-S385 WeakPolarHBondContact O-CB 3.48Å; S382-S385 PolarHBondContact O-N 3.38Å; D383-S385 PolarHBondContact O-N 3Å; S385-M388 WeakPolarHBondContact O-CB 3.4Å; S385-M388 PolarHBondContact O-N 2.92Å; S385-I389 WeakPolarHBondContact O-CG1 3.25Å; S385-I389 PolarHBondContact O-N 3.46Å; S385-I389 VanDerWaalsContact O-N 3.16Å
386	F	98.8	Very high	98.6	Very high	1 Å²	1	35 Å²	35	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-83.5	-18.9	-179.2	-74.3	-79.3	0	0	0	113.6	Q138 G139 E344 S382 D383 E384 I389 R390 D428	Q138-F386 HydrophobicContact CB-CE1 4.39Å; Q138-F386 HydrophobicContact CB-CE2 4.01Å; Q138-F386 HydrophobicContact CB-CZ 3.67Å; Q138-F386 HydrophobicContact CG-CD2 4.43Å; Q138-F386 HydrophobicContact CG-CE2 3.45Å; Q138-F386 VanDerWaalsContact CG-CE2 3.45Å; Q138-F386 HydrophobicContact CG-CZ 3.55Å; G139-F386 VanDerWaalsContact CA-CD1 3.42Å; G139-F386 VanDerWaalsContact CA-CD2 3.41Å; E344-F386 HydrophobicContact CB-CE1 4.42Å; E344-F386 HydrophobicContact CB-CE2 4.31Å; E344-F386 HydrophobicContact CB-CZ 3.8Å; E344-F386 HydrophobicContact CG-CZ 4.37Å; S382-F386 VanDerWaalsContact O-CD2 3.25Å; S382-F386 WeakPolarHBondContact O-CD2 3.25Å; S382-F386 PolarHBondContact O-N 2.88Å; S382-F386 VanDerWaalsContact O-N 3.08Å; D383-F386 PolarHBondContact O-N 2.93Å; E384-F386 VanDerWaalsContact C-N 3.29Å; E384-F386 PolarHBondContact O-N 3.25Å; F386-I389 HydrophobicContact CD1-CB 4.38Å; F386-I389 HydrophobicContact CD1-CD1 3.74Å; F386-I389 HydrophobicContact CE1-CD1 3.82Å; F386-I389 HydrophobicContact CG-CD1 4.37Å; F386-I389 HydrophobicContact CZ-CD1 4.46Å; F386-R390 WeakPolarHBondContact O-CB 3.49Å; F386-R390 PolarHBondContact O-N 2.91Å; F386-D428 HydrophobicContact CD1-CB 3.5Å; F386-D428 VanDerWaalsContact CD1-CB 3.5Å; F386-D428 HydrophobicContact CE1-CB 3.71Å
387	A	98.9	Very high	98.7	Very high	40 Å²	40	30.8 Å²	30.8	33%	0.331	18%	0.176	S	C	.	.	H	α-helix	trans	-61.9	-45.5	164.1	0	0	0	0	0	110.8	D383 E384 G391	D383-A387 WeakPolarHBondContact O-CB 3.27Å; D383-A387 PolarHBondContact O-N 3.01Å; E384-A387 WeakPolarHBondContact O-CB 3.35Å; E384-A387 PolarHBondContact O-N 3.22Å; A387-G391 WeakPolarHBondContact O-CA 3.43Å; A387-G391 PolarHBondContact O-N 3.08Å
388	M	98.8	Very high	98.7	Very high	35 Å²	35	29.2 Å²	29.2	17%	0.172	16%	0.163	C	C	.	.	H	α-helix	trans	-59.9	-49	174.5	-73.7	-175.5	-77.6	0	0	112.4	F380 E384 S385 G392 H393	F380-M388 HydrophobicContact CD1-CE 3.84Å; F380-M388 HydrophobicContact CD2-CE 3.36Å; F380-M388 HydrophobicContact CE1-CE 3.65Å; F380-M388 HydrophobicContact CE2-CE 3.14Å; F380-M388 HydrophobicContact CG-CE 3.72Å; F380-M388 HydrophobicContact CZ-CE 3.3Å; E384-M388 HydrophobicContact CG-CE 4.27Å; E384-M388 PolarHBondContact O-N 3.04Å; S385-M388 WeakPolarHBondContact O-CB 3.4Å; S385-M388 PolarHBondContact O-N 2.92Å; M388-G392 PolarHBondContact O-N 3.06Å; M388-H393 HydrophobicContact CB-CB 4.48Å; M388-H393 WeakPolarHBondContact O-CB 3.45Å; M388-H393 PolarHBondContact O-CD2 2.67Å; M388-H393 PolarHBondContact O-N 3.42Å
389	I	98.8	Very high	98.7	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-62.5	-54.7	-179.9	-68.5	163.1	0	0	0	110.7	E344 S385 F386 G391 G392 V394 D428 L429	E344-I389 HydrophobicContact CB-CD1 4.16Å; S385-I389 WeakPolarHBondContact O-CG1 3.25Å; S385-I389 PolarHBondContact O-N 3.46Å; S385-I389 VanDerWaalsContact O-N 3.16Å; F386-I389 HydrophobicContact CD1-CB 4.38Å; F386-I389 HydrophobicContact CD1-CD1 3.74Å; F386-I389 HydrophobicContact CE1-CD1 3.82Å; F386-I389 HydrophobicContact CG-CD1 4.37Å; F386-I389 HydrophobicContact CZ-CD1 4.46Å; I389-G391 VanDerWaalsContact C-N 3.32Å; I389-G391 PolarHBondContact O-N 3.33Å; I389-G392 PolarHBondContact O-N 2.8Å; I389-V394 HydrophobicContact CG1-CG2 4.3Å; I389-D428 HydrophobicContact CG2-CB 4.31Å; I389-L429 HydrophobicContact CD1-CD2 3.82Å; I389-L429 HydrophobicContact CG1-CD2 4.09Å; I389-L429 HydrophobicContact CG2-CD2 3.84Å; I389-L429 HydrophobicContact CG2-CG 4.36Å
390	R	98.3	Very high	98.6	Very high	40 Å²	40	26.3 Å²	26.3	15%	0.151	15%	0.153	C	C	.	.	H	α-helix	trans	-67.4	-32.2	-176.2	-172.2	-173.9	-59.2	142.9	8.8	112.7	G139 T157 P158 F386 G392 D428	G139-R390 PolarHBondContact O-NH2 3.45Å; T157-R390 WeakPolarHBondContact OG1-CD 3.35Å; T157-R390 PolarHBondContact OG1-NE 2.78Å; P158-R390 HydrophobicContact CG-CG 4.11Å; F386-R390 WeakPolarHBondContact O-CB 3.49Å; F386-R390 PolarHBondContact O-N 2.91Å; R390-G392 PolarHBondContact O-N 3.25Å; R390-D428 IonicContact CZ-OD1 2.86Å; R390-D428 IonicContact NE-OD1 3.33Å; R390-D428 IonicContact NH2-OD1 3.05Å; R390-D428 PolarHBondContact NH2-OD1 3.47Å; R390-D428 VanDerWaalsContact NH2-OD1 3.14Å
391	G	98.3	Very high	98.5	Very high	29 Å²	29	26.5 Å²	26.5	30%	0.299	16%	0.157	S	C	.	.	H	α-helix	trans	-67.5	-13.5	174.5	0	0	0	0	0	113.7	A387 I389	A387-G391 WeakPolarHBondContact O-CA 3.43Å; A387-G391 PolarHBondContact O-N 3.08Å; I389-G391 VanDerWaalsContact C-N 3.32Å; I389-G391 PolarHBondContact O-N 3.33Å
392	G	98.3	Very high	98.4	Very high	14 Å²	14	28.4 Å²	28.4	14%	0.144	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.6	36	-176.3	0	0	0	0	0	112.6	M388 I389 R390 V394 S432	M388-G392 PolarHBondContact O-N 3.06Å; I389-G392 PolarHBondContact O-N 2.8Å; R390-G392 PolarHBondContact O-N 3.25Å; G392-V394 VanDerWaalsContact C-N 3.31Å; G392-S432 WeakPolarHBondContact CA-OG 3.49Å
393	H	98.7	Very high	98.4	Very high	128 Å²	128	29.4 Å²	29.4	59%	0.593	17%	0.17	S	C	*	.			trans	-86	-6.6	175.1	-61.4	-80.6	0	0	0	112.8	M388	M388-H393 HydrophobicContact CB-CB 4.48Å; M388-H393 WeakPolarHBondContact O-CB 3.45Å; M388-H393 PolarHBondContact O-CD2 2.67Å; M388-H393 PolarHBondContact O-N 3.42Å
394	V	98.6	Very high	98.4	Very high	4 Å²	4	28.6 Å²	28.6	2%	0.024	17%	0.166	C	C	.	.			trans	-97.2	125.2	171.5	-177.3	0	0	0	0	107.9	Y318 N320 Q342 I389 G392 L396 T435	Y318-V394 WeakPolarHBondContact O-CG1 3.45Å; N320-V394 HydrophobicContact CB-CG1 4.11Å; Q342-V394 HydrophobicContact CG-CG2 4.5Å; I389-V394 HydrophobicContact CG1-CG2 4.3Å; G392-V394 VanDerWaalsContact C-N 3.31Å; V394-L396 VanDerWaalsContact CG1-O 3.3Å; V394-L396 WeakPolarHBondContact CG1-O 3.49Å; V394-T435 WeakPolarHBondContact O-CB 3.15Å; V394-T435 VanDerWaalsContact O-CG2 3.28Å; V394-T435 WeakPolarHBondContact O-CG2 3.41Å; V394-T435 PolarHBondContact O-OG1 3.39Å
395	D	98.8	Very high	98.4	Very high	79 Å²	79	24 Å²	24	42%	0.422	15%	0.145	S	C	.	.	S	Bend	trans	-73.4	-43.3	-176.2	-57.3	-57.7	0	0	0	111.5	M317 Y318 K436	M317-D395 WeakPolarHBondContact CA-OD2 3.42Å; M317-D395 HydrophobicContact CB-CB 4.29Å; Y318-D395 PolarHBondContact N-OD2 2.85Å; Y318-D395 WeakPolarHBondContact O-CB 3.44Å; Y318-D395 PolarHBondContact O-N 3.49Å; D395-K436 WeakPolarHBondContact O-CB 3.44Å; D395-K436 PolarHBondContact O-N 2.73Å
396	L	98.8	Very high	98.4	Very high	3 Å²	3	25.5 Å²	25.5	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.3	-177.8	-176.7	70.1	0	0	0	111.6	E312 F313 M317 Y318 A319 N320 V394 M398 K436 V438	E312-L396 HydrophobicContact CB-CD2 4.19Å; F313-L396 HydrophobicContact CD1-CD2 4.48Å; F313-L396 HydrophobicContact CE1-CD2 4.38Å; M317-L396 HydrophobicContact CE-CB 3.56Å; M317-L396 HydrophobicContact CE-CD2 3.38Å; M317-L396 HydrophobicContact CE-CG 4.09Å; Y318-L396 PolarHBondContact O-N 2.67Å; Y318-L396 VanDerWaalsContact O-N 3.12Å; A319-L396 CarbonylContact C-O 3.57Å; A319-L396 VanDerWaalsContact CA-O 3.27Å; A319-L396 WeakPolarHBondContact CA-O 3.32Å; A319-L396 HydrophobicContact CB-CB 4.33Å; N320-L396 PolarHBondContact N-O 3.13Å; V394-L396 VanDerWaalsContact CG1-O 3.3Å; V394-L396 WeakPolarHBondContact CG1-O 3.49Å; L396-M398 HydrophobicContact CD2-CE 3.99Å; L396-K436 WeakPolarHBondContact CA-O 3.34Å; L396-K436 HydrophobicContact CD1-CB 4.21Å; L396-K436 HydrophobicContact CD1-CD 4.12Å; L396-K436 HydrophobicContact CD1-CG 4.07Å; L396-V438 HydrophobicContact CD1-CB 4.25Å; L396-V438 HydrophobicContact CD1-CG2 3.53Å
397	T	98.8	Very high	98.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	126.4	158.8	-67	0	0	0	0	108.7	N320 L399 L429 T435 K436 V437 V438	N320-T397 WeakPolarHBondContact O-CA 3.35Å; T397-L399 HydrophobicContact CG2-CD2 4.13Å; T397-L429 HydrophobicContact CG2-CB 3.77Å; T397-L429 HydrophobicContact CG2-CD2 4.35Å; T397-L429 HydrophobicContact CG2-CG 4.45Å; T397-L429 PolarHBondContact OG1-O 2.99Å; T397-T435 WeakPolarHBondContact OG1-CG2 3.4Å; T397-K436 PolarHBondContact N-O 2.97Å; T397-V437 WeakPolarHBondContact O-CA 3.46Å; T397-V438 PolarHBondContact O-N 2.86Å
398	M	98.6	Very high	98.4	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.5	173.8	-168.8	-169	-60.3	0	0	110.7	A309 E312 N320 L321 G322 P326 L396 V438 T440	A309-M398 HydrophobicContact CB-CE 4.06Å; A309-M398 HydrophobicContact CB-SD 3.73Å; A309-M398 WeakPolarHBondContact O-CE 3.36Å; E312-M398 HydrophobicContact CB-CE 3.99Å; E312-M398 HydrophobicContact CG-CE 4.31Å; N320-M398 PolarHBondContact O-N 2.77Å; L321-M398 HydrophobicContact CD2-CB 3.9Å; G322-M398 PolarHBondContact N-O 3.41Å; P326-M398 HydrophobicContact CB-CB 3.93Å; P326-M398 HydrophobicContact CB-CG 3.75Å; P326-M398 WeakPolarHBondContact CB-O 3.12Å; P326-M398 HydrophobicContact CB-SD 3.83Å; P326-M398 HydrophobicContact CG-CG 4.08Å; P326-M398 WeakPolarHBondContact CG-O 3.49Å; P326-M398 HydrophobicContact CG-SD 4.46Å; L396-M398 HydrophobicContact CD2-CE 3.99Å; M398-V438 VanDerWaalsContact CA-O 3.26Å; M398-V438 WeakPolarHBondContact CA-O 3.45Å; M398-V438 HydrophobicContact CG-CB 4.18Å; M398-V438 HydrophobicContact CG-CG1 4.29Å; M398-T440 HydrophobicContact CG-CG2 3.85Å; M398-T440 HydrophobicContact SD-CG2 3.61Å
399	L	98	Very high	98.4	Very high	9 Å²	9	26.4 Å²	26.4	5%	0.047	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	161.3	-172.8	73.2	177.6	0	0	0	112.9	T397 L410 V430 V437 V438 V439 T440	T397-L399 HydrophobicContact CG2-CD2 4.13Å; L399-L410 HydrophobicContact CD1-CD2 3.79Å; L399-L410 HydrophobicContact CD2-CD2 4.46Å; L399-L410 HydrophobicContact CG-CD2 4.29Å; L399-V430 HydrophobicContact CD1-CG1 3.78Å; L399-V430 HydrophobicContact CD2-CG1 4.21Å; L399-V437 HydrophobicContact CD2-CG1 3.65Å; L399-V438 PolarHBondContact N-O 3.07Å; L399-V439 HydrophobicContact CD2-CG2 4.39Å; L399-V439 VanDerWaalsContact O-CA 3.32Å; L399-V439 WeakPolarHBondContact O-CA 3.44Å; L399-T440 PolarHBondContact O-N 2.99Å
400	G	97.3	Very high	98.4	Very high	33 Å²	33	26.3 Å²	26.3	34%	0.34	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	158.3	172.3	0	0	0	0	0	112.9	N412 T440	G400-N412 PolarHBondContact O-ND2 2.93Å; G400-N412 VanDerWaalsContact O-ND2 3.09Å; G400-T440 WeakPolarHBondContact CA-O 3.27Å
401	A	97.4	Very high	98.3	Very high	18 Å²	18	24.4 Å²	24.4	15%	0.149	14%	0.139	C	C	.	.			trans	-135.9	152.6	175.8	0	0	0	0	0	112.6	V404 L410 V439 M441	A401-V404 HydrophobicContact CB-CG2 3.79Å; A401-L410 HydrophobicContact CB-CD1 3.37Å; A401-V439 HydrophobicContact CB-CG1 3.42Å; A401-V439 VanDerWaalsContact CB-CG1 3.42Å; A401-V439 HydrophobicContact CB-CG2 4.36Å; A401-M441 HydrophobicContact CB-CE 4.26Å; A401-M441 HydrophobicContact CB-SD 3.94Å
402	M	96.7	Very high	98.2	Very high	48 Å²	48	24.6 Å²	24.6	24%	0.236	13%	0.133	C	C	.	.	S	Bend	trans	-89.5	-41	164.9	-62.9	174.7	-169.1	0	0	110.6	A411 N412 I415 M419 K451 L458	M402-A411 WeakPolarHBondContact CB-O 3.36Å; M402-A411 PolarHBondContact N-O 3.21Å; M402-N412 WeakPolarHBondContact CE-O 3.46Å; M402-I415 HydrophobicContact SD-CD1 4.05Å; M402-I415 HydrophobicContact SD-CG1 3.79Å; M402-M419 HydrophobicContact CE-CE 3.19Å; M402-M419 HydrophobicContact SD-CE 4.36Å; M402-K451 WeakPolarHBondContact O-CB 3.44Å; M402-K451 WeakPolarHBondContact O-CG 3.17Å; M402-L458 HydrophobicContact CB-CD1 3.69Å; M402-L458 HydrophobicContact CG-CD1 4.44Å; M402-L458 HydrophobicContact SD-CD1 3.93Å
403	Q	98.4	Very high	98	Very high	21 Å²	21	24.2 Å²	24.2	10%	0.098	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	149.7	176	-66.5	174.3	-17.8	0	0	111	A411 K451 M453 C456 T457 L458	Q403-A411 HydrophobicContact CB-CB 4.35Å; Q403-A411 PolarHBondContact N-O 2.87Å; Q403-A411 VanDerWaalsContact N-O 3.13Å; Q403-A411 PolarHBondContact O-N 3.38Å; Q403-K451 CarbonylContact C-O 3.52Å; Q403-K451 WeakPolarHBondContact CA-O 3.35Å; Q403-M453 HydrophobicContact CB-SD 4.35Å; Q403-M453 VanDerWaalsContact CD-SD 3.55Å; Q403-M453 HydrophobicContact CG-CE 4.01Å; Q403-M453 HydrophobicContact CG-SD 4.07Å; Q403-C456 HydrophobicContact CB-CB 4.37Å; Q403-T457 PolarHBondContact NE2-OG1 3.08Å; Q403-T457 PolarHBondContact OE1-OG1 2.89Å; Q403-L458 HydrophobicContact CG-CD1 4.17Å
404	V	98.8	Very high	97.6	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	134.3	169.9	-175.1	0	0	0	0	109	A401 D409 L410 V439 M441 K451 I452 M453 V466 I469	A401-V404 HydrophobicContact CB-CG2 3.79Å; V404-D409 CarbonylContact C-O 3.33Å; V404-D409 VanDerWaalsContact CA-O 3.27Å; V404-D409 WeakPolarHBondContact CA-O 3.29Å; V404-L410 HydrophobicContact CG2-CD1 4.31Å; V404-V439 HydrophobicContact CG2-CB 4.33Å; V404-V439 HydrophobicContact CG2-CG1 3.92Å; V404-V439 HydrophobicContact CG2-CG2 4.11Å; V404-M441 HydrophobicContact CG2-SD 3.87Å; V404-K451 PolarHBondContact N-O 3.27Å; V404-I452 WeakPolarHBondContact O-CA 3.36Å; V404-M453 PolarHBondContact O-N 2.87Å; V404-V466 HydrophobicContact CG1-CB 4.26Å; V404-V466 HydrophobicContact CG1-CG1 4.28Å; V404-V466 HydrophobicContact CG1-CG2 4.08Å; V404-I469 HydrophobicContact CB-CD1 3.94Å; V404-I469 HydrophobicContact CB-CG1 4.49Å; V404-I469 HydrophobicContact CG1-CD1 3.52Å; V404-I469 HydrophobicContact CG1-CG1 4.01Å; V404-I469 HydrophobicContact CG2-CD1 4.5Å
405	S	98.8	Very high	97.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	162.7	177.6	86.2	0	0	0	0	112.6	Y407 G408 D409 M453	S405-Y407 PolarHBondContact O-N 3.43Å; S405-Y407 VanDerWaalsContact O-N 3.1Å; S405-Y407 PolarHBondContact OG-N 3.48Å; S405-G408 PolarHBondContact O-N 3.36Å; S405-G408 PolarHBondContact OG-N 2.79Å; S405-D409 WeakPolarHBondContact CB-OD2 3.46Å; S405-D409 PolarHBondContact N-O 3.02Å; S405-D409 WeakPolarHBondContact OG-CB 3.16Å; S405-D409 PolarHBondContact OG-N 3.45Å; S405-D409 PolarHBondContact OG-OD2 3Å; S405-M453 CarbonylContact C-O 3.57Å; S405-M453 WeakPolarHBondContact CA-O 3.33Å
406	K	98.6	Very high	96.5	Very high	30 Å²	30	20.5 Å²	20.5	13%	0.13	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-35.2	175.4	177.3	173.7	178.6	177.9	0	113.8	M453 E454 G483 L484 C504	K406-M453 PolarHBondContact N-O 2.92Å; K406-E454 WeakPolarHBondContact CD-OE1 3.48Å; K406-E454 WeakPolarHBondContact CD-OE2 3.39Å; K406-E454 IonicContact NZ-OE1 3.51Å; K406-E454 IonicContact NZ-OE2 2.83Å; K406-E454 PolarHBondContact NZ-OE2 2.95Å; K406-G483 CarbonylContact O-C 3.57Å; K406-G483 WeakPolarHBondContact O-CA 3.44Å; K406-L484 WeakPolarHBondContact O-CD2 3.45Å; K406-L484 PolarHBondContact O-N 3.19Å; K406-C504 HydrophobicContact CB-CB 4.27Å; K406-C504 HydrophobicContact CD-CB 4.36Å
407	Y	98.6	Very high	95.5	Very high	73 Å²	73	24.1 Å²	24.1	29%	0.286	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	12.1	-177.5	-61.1	-73.1	0	0	0	113.2	S405 Q464 K481	S405-Y407 PolarHBondContact O-N 3.43Å; S405-Y407 VanDerWaalsContact O-N 3.1Å; S405-Y407 PolarHBondContact OG-N 3.48Å; Y407-Q464 WeakPolarHBondContact O-CA 3.46Å; Y407-K481 VanDerWaalsContact CE1-O 3.32Å; Y407-K481 WeakPolarHBondContact CE1-O 3.45Å
408	G	98.5	Very high	94.6	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	19%	0.187	C	C	.	.			trans	88.8	24.5	172	0	0	0	0	0	115.4	S405 Q464 C465 V466	S405-G408 PolarHBondContact O-N 3.36Å; S405-G408 PolarHBondContact OG-N 2.79Å; G408-Q464 CarbonylContact O-C 3.46Å; G408-Q464 WeakPolarHBondContact O-CA 3.43Å; G408-Q464 PolarHBondContact O-N 3.12Å; G408-C465 PolarHBondContact O-N 3.19Å; G408-V466 PolarHBondContact O-N 3.32Å
409	D	98.7	Very high	93.8	Very high	23 Å²	23	34.7 Å²	34.7	12%	0.123	20%	0.201	C	C	.	.			trans	-70.4	141.5	165.1	-47.4	-45.2	0	0	0	109.2	V404 S405 L460 G462 K463 Q464	V404-D409 CarbonylContact C-O 3.33Å; V404-D409 VanDerWaalsContact CA-O 3.27Å; V404-D409 WeakPolarHBondContact CA-O 3.29Å; S405-D409 WeakPolarHBondContact CB-OD2 3.46Å; S405-D409 PolarHBondContact N-O 3.02Å; S405-D409 WeakPolarHBondContact OG-CB 3.16Å; S405-D409 PolarHBondContact OG-N 3.45Å; S405-D409 PolarHBondContact OG-OD2 3Å; D409-L460 HydrophobicContact CB-CD1 4.18Å; D409-L460 HydrophobicContact CB-CD2 3.84Å; D409-G462 WeakPolarHBondContact CA-O 3.44Å; D409-K463 WeakPolarHBondContact OD1-CA 3.38Å; D409-K463 WeakPolarHBondContact OD1-CG 3.29Å; D409-Q464 PolarHBondContact OD1-N 3.44Å
410	L	98.6	Very high	93.1	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.8	-178.3	175.3	64.8	0	0	0	109.9	L399 A401 V404 V430 V439 L460 T461 G462 V466	L399-L410 HydrophobicContact CD1-CD2 3.79Å; L399-L410 HydrophobicContact CD2-CD2 4.46Å; L399-L410 HydrophobicContact CG-CD2 4.29Å; A401-L410 HydrophobicContact CB-CD1 3.37Å; V404-L410 HydrophobicContact CG2-CD1 4.31Å; L410-V430 HydrophobicContact CD2-CG1 3.85Å; L410-V430 HydrophobicContact CD2-CG2 4.48Å; L410-V439 HydrophobicContact CD1-CG2 3.98Å; L410-L460 CarbonylContact O-C 3.5Å; L410-L460 WeakPolarHBondContact O-CA 3.36Å; L410-T461 HydrophobicContact CD2-CG2 4.1Å; L410-T461 PolarHBondContact O-N 2.61Å; L410-G462 PolarHBondContact N-O 2.85Å; L410-G462 PolarHBondContact O-N 2.91Å; L410-V466 HydrophobicContact CB-CG2 3.99Å; L410-V466 HydrophobicContact CD1-CG2 4.46Å
411	A	98.1	Very high	92.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	123.1	166.6	0	0	0	0	0	110.9	M402 Q403 C456 L458 P459 L460	M402-A411 WeakPolarHBondContact CB-O 3.36Å; M402-A411 PolarHBondContact N-O 3.21Å; Q403-A411 HydrophobicContact CB-CB 4.35Å; Q403-A411 PolarHBondContact N-O 2.87Å; Q403-A411 VanDerWaalsContact N-O 3.13Å; Q403-A411 PolarHBondContact O-N 3.38Å; A411-C456 HydrophobicContact CB-CB 4.29Å; A411-L458 HydrophobicContact CB-CB 3.85Å; A411-P459 WeakPolarHBondContact CB-O 3.37Å; A411-L460 HydrophobicContact CB-CD2 4.45Å
412	N	95.3	Very high	92.2	Very high	33 Å²	33	34.1 Å²	34.1	18%	0.176	19%	0.186	C	C	.	.			trans	-151.7	4.6	-176.7	76.4	-11.1	0	0	0	117.1	G400 M402 T461	G400-N412 PolarHBondContact O-ND2 2.93Å; G400-N412 VanDerWaalsContact O-ND2 3.09Å; M402-N412 WeakPolarHBondContact CE-O 3.46Å; N412-T461 PolarHBondContact N-OG1 2.99Å; N412-T461 WeakPolarHBondContact OD1-CG2 3.34Å; N412-T461 PolarHBondContact OD1-OG1 2.88Å
413	W	93.6	Very high	92	Very high	7 Å²	7	32.2 Å²	32.2	3%	0.027	18%	0.177	C	C	.	.	S	Bend	trans	-116.6	-19	-167.9	70.3	-87.2	0	0	0	115.8	L135 L164 M423 M427 P459 L460	L135-W413 HydrophobicContact CD1-CZ3 3.87Å; L164-W413 HydrophobicContact CD1-CH2 4.43Å; L164-W413 HydrophobicContact CD1-CZ2 4.2Å; W413-M423 HydrophobicContact CB-CB 3.99Å; W413-M423 HydrophobicContact CD2-CB 4.17Å; W413-M423 HydrophobicContact CD2-CE 4.26Å; W413-M423 HydrophobicContact CE3-CB 4.35Å; W413-M423 HydrophobicContact CE3-CE 3.97Å; W413-M423 HydrophobicContact CG-CB 4.01Å; W413-M423 HydrophobicContact CH2-CE 3.89Å; W413-M423 HydrophobicContact CZ2-CE 4.18Å; W413-M423 HydrophobicContact CZ3-CE 3.76Å; W413-M427 HydrophobicContact CD2-CE 4.38Å; W413-M427 HydrophobicContact CZ2-CE 4.22Å; W413-P459 HydrophobicContact CZ2-CB 3.9Å; W413-P459 PolarHBondContact NE1-O 2.96Å; W413-L460 PolarHBondContact NE1-O 3.04Å
414	M	90.6	Very high	91.9	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.03	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	140.7	-175.6	175.4	-176.4	-81.3	0	0	111.9	L135 P416 V420 P459	L135-M414 HydrophobicContact CD1-CE 4.37Å; M414-P416 HydrophobicContact CG-CG 4.41Å; M414-P416 HydrophobicContact SD-CG 4.4Å; M414-V420 HydrophobicContact CE-CB 4.35Å; M414-V420 HydrophobicContact CE-CG1 3.45Å; M414-V420 VanDerWaalsContact CE-CG1 3.45Å; M414-V420 HydrophobicContact CE-CG2 4.04Å; M414-V420 HydrophobicContact CG-CG2 4.28Å; M414-P459 HydrophobicContact CB-CG 4.43Å; M414-P459 HydrophobicContact CG-CG 4.3Å; M414-P459 HydrophobicContact SD-CG 4.01Å
415	I	89.2	Confident	91.9	Very high	48 Å²	48	31.6 Å²	31.6	25%	0.246	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	106.2	160.9	-56.5	175.9	0	0	0	106.6	M402 G417 K418 M419 L458	M402-I415 HydrophobicContact SD-CD1 4.05Å; M402-I415 HydrophobicContact SD-CG1 3.79Å; I415-G417 PolarHBondContact O-N 3.34Å; I415-K418 HydrophobicContact CB-CB 4.32Å; I415-K418 HydrophobicContact CG2-CB 3.92Å; I415-K418 HydrophobicContact CG2-CD 4.46Å; I415-K418 PolarHBondContact O-N 2.93Å; I415-M419 HydrophobicContact CB-CB 4.32Å; I415-M419 HydrophobicContact CD1-CE 4.12Å; I415-M419 HydrophobicContact CG1-CE 4.29Å; I415-M419 PolarHBondContact N-O 3.36Å; I415-M419 PolarHBondContact O-N 2.79Å; I415-L458 HydrophobicContact CG1-CD1 4.36Å; I415-L458 HydrophobicContact CG1-CD2 4.29Å; I415-L458 HydrophobicContact CG2-CD2 4.29Å
416	P	84.4	Confident	91.8	Very high	78 Å²	78	32.3 Å²	32.3	51%	0.506	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.3	132.6	-178.4	-29.1	36.1	0	0	0	112.5	M414 K418 P459	M414-P416 HydrophobicContact CG-CG 4.41Å; M414-P416 HydrophobicContact SD-CG 4.4Å; P416-K418 PolarHBondContact O-N 3.35Å; P416-K418 VanDerWaalsContact O-N 3.17Å; P416-P459 HydrophobicContact CG-CG 3.84Å
417	G	78.3	Confident	91.8	Very high	79 Å²	79	31 Å²	31	81%	0.814	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	-0.4	179.3	0	0	0	0	0	116.2	I415	I415-G417 PolarHBondContact O-N 3.34Å
418	K	81.3	Confident	91.9	Very high	164 Å²	164	27.5 Å²	27.5	71%	0.713	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.2	-45.9	-179.3	-173.7	178.1	-179.9	179.5	0	114	I415 P416	I415-K418 HydrophobicContact CB-CB 4.32Å; I415-K418 HydrophobicContact CG2-CB 3.92Å; I415-K418 HydrophobicContact CG2-CD 4.46Å; I415-K418 PolarHBondContact O-N 2.93Å; P416-K418 PolarHBondContact O-N 3.35Å; P416-K418 VanDerWaalsContact O-N 3.17Å
419	M	80.6	Confident	91.9	Very high	59 Å²	59	27.9 Å²	27.9	29%	0.291	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	118.2	-174.5	-174.1	176	70.2	0	0	110.3	M402 I415 K421	M402-M419 HydrophobicContact CE-CE 3.19Å; M402-M419 HydrophobicContact SD-CE 4.36Å; I415-M419 HydrophobicContact CB-CB 4.32Å; I415-M419 HydrophobicContact CD1-CE 4.12Å; I415-M419 HydrophobicContact CG1-CE 4.29Å; I415-M419 PolarHBondContact N-O 3.36Å; I415-M419 PolarHBondContact O-N 2.79Å; M419-K421 HydrophobicContact CG-CG 4.05Å; M419-K421 HydrophobicContact SD-CG 4.48Å
420	V	83.6	Confident	91.8	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.006	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	85.5	177.1	-170.9	0	0	0	0	109.3	Y126 L127 L135 M414	Y126-V420 HydrophobicContact CE1-CB 4.12Å; Y126-V420 HydrophobicContact CE1-CG1 3.69Å; L127-V420 HydrophobicContact CD2-CG2 4.42Å; L135-V420 HydrophobicContact CD1-CG1 3.69Å; M414-V420 HydrophobicContact CE-CB 4.35Å; M414-V420 HydrophobicContact CE-CG1 3.45Å; M414-V420 VanDerWaalsContact CE-CG1 3.45Å; M414-V420 HydrophobicContact CE-CG2 4.04Å; M414-V420 HydrophobicContact CG-CG2 4.28Å
421	K	85	Confident	91.8	Very high	43 Å²	43	27.9 Å²	27.9	19%	0.187	17%	0.166	C	C	.	.			trans	-89.9	-20.3	177	-65.6	-58.2	-169.4	-175.3	0	113	Y115 V116 G117 E123 M419	Y115-K421 CarbonylContact C-O 3.5Å; Y115-K421 WeakPolarHBondContact CA-O 3.23Å; Y115-K421 HydrophobicContact CD2-CB 4.3Å; Y115-K421 WeakPolarHBondContact CD2-O 3.34Å; Y115-K421 HydrophobicContact CE2-CB 3.62Å; V116-K421 PolarHBondContact N-O 3.06Å; G117-K421 PolarHBondContact O-NZ 3.39Å; G117-K421 VanDerWaalsContact O-NZ 3.08Å; E123-K421 IonicContact OE2-NZ 2.78Å; E123-K421 PolarHBondContact OE2-NZ 3.39Å; M419-K421 HydrophobicContact CG-CG 4.05Å; M419-K421 HydrophobicContact SD-CG 4.48Å
422	G	89.6	Confident	91.8	Very high	4 Å²	4	28.5 Å²	28.5	4%	0.041	17%	0.17	C	C	.	.			trans	93.6	164.5	-173.6	0	0	0	0	0	112.1	S114	S114-G422 CarbonylContact O-C 3.37Å
423	M	94.6	Very high	91.7	Very high	7 Å²	7	30.3 Å²	30.3	3%	0.034	19%	0.19	C	C	.	.			trans	-85.2	-17.7	-172.9	59.6	-77.4	-70.9	0	0	114.5	S114 L135 P137 V165 W413 G425 A426 M427	S114-M423 PolarHBondContact O-N 3.47Å; S114-M423 VanDerWaalsContact O-N 3.17Å; L135-M423 HydrophobicContact CB-CE 4.12Å; L135-M423 HydrophobicContact CB-SD 3.91Å; P137-M423 HydrophobicContact CB-CG 4.32Å; P137-M423 HydrophobicContact CG-CG 4.22Å; V165-M423 HydrophobicContact CG2-CE 3.8Å; W413-M423 HydrophobicContact CB-CB 3.99Å; W413-M423 HydrophobicContact CD2-CB 4.17Å; W413-M423 HydrophobicContact CD2-CE 4.26Å; W413-M423 HydrophobicContact CE3-CB 4.35Å; W413-M423 HydrophobicContact CE3-CE 3.97Å; W413-M423 HydrophobicContact CG-CB 4.01Å; W413-M423 HydrophobicContact CH2-CE 3.89Å; W413-M423 HydrophobicContact CZ2-CE 4.18Å; W413-M423 HydrophobicContact CZ3-CE 3.76Å; M423-G425 PolarHBondContact O-N 2.65Å; M423-A426 VanDerWaalsContact O-CB 3.24Å; M423-A426 WeakPolarHBondContact O-CB 3.35Å; M423-A426 PolarHBondContact O-N 2.89Å; M423-M427 HydrophobicContact CB-CE 3.98Å; M423-M427 HydrophobicContact CB-CG 3.92Å; M423-M427 HydrophobicContact CB-SD 4.2Å; M423-M427 HydrophobicContact CE-CE 3.63Å; M423-M427 HydrophobicContact CE-SD 4.1Å; M423-M427 HydrophobicContact CG-CE 4.18Å; M423-M427 HydrophobicContact CG-CG 4.06Å; M423-M427 HydrophobicContact CG-SD 3.94Å
424	G	96.1	Very high	91.9	Very high	8 Å²	8	37.8 Å²	37.8	8%	0.082	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.4	-138.4	-174.1	0	0	0	0	0	111.5	S114 Q138 A426	S114-G424 PolarHBondContact O-N 3Å; Q138-G424 VanDerWaalsContact CB-C 3.47Å; Q138-G424 WeakPolarHBondContact CB-O 3.5Å; Q138-G424 PolarHBondContact N-O 3.06Å; G424-A426 VanDerWaalsContact C-N 3.32Å
425	G	97.6	Very high	92.3	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.01	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-5.2	173.4	0	0	0	0	0	116	E344 M423 M427 D428 L429	E344-G425 PolarHBondContact OE1-N 3.4Å; M423-G425 PolarHBondContact O-N 2.65Å; G425-M427 VanDerWaalsContact C-N 3.33Å; G425-M427 PolarHBondContact O-N 3.23Å; G425-D428 PolarHBondContact O-N 3.17Å; G425-D428 VanDerWaalsContact O-N 3.08Å; G425-L429 WeakPolarHBondContact O-CG 3.19Å; G425-L429 PolarHBondContact O-N 3.44Å
426	A	97.9	Very high	92.8	Very high	15 Å²	15	38.5 Å²	38.5	12%	0.124	22%	0.224	C	C	.	.	H	α-helix	trans	-60.7	-37.5	-167.1	0	0	0	0	0	113.8	M423 G424 V430 T461	M423-A426 VanDerWaalsContact O-CB 3.24Å; M423-A426 WeakPolarHBondContact O-CB 3.35Å; M423-A426 PolarHBondContact O-N 2.89Å; G424-A426 VanDerWaalsContact C-N 3.32Å; A426-V430 WeakPolarHBondContact O-CG2 3.32Å; A426-V430 PolarHBondContact O-N 2.88Å; A426-T461 HydrophobicContact CB-CG2 3.77Å
427	M	98.7	Very high	93.4	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	20%	0.2	C	C	.	.	H	α-helix	trans	-69.2	-35.9	178.5	-63.3	-169.3	170.9	0	0	112.3	P137 T159 T163 V165 W413 M423 G425 S431 T461	P137-M427 HydrophobicContact CB-CB 4.22Å; P137-M427 HydrophobicContact CB-SD 4.49Å; P137-M427 HydrophobicContact CG-CB 4.35Å; P137-M427 HydrophobicContact CG-SD 3.71Å; T159-M427 HydrophobicContact CG2-CB 3.74Å; T163-M427 HydrophobicContact CG2-CE 4.25Å; V165-M427 HydrophobicContact CG2-CE 4.02Å; V165-M427 HydrophobicContact CG2-SD 3.72Å; W413-M427 HydrophobicContact CD2-CE 4.38Å; W413-M427 HydrophobicContact CZ2-CE 4.22Å; M423-M427 HydrophobicContact CB-CE 3.98Å; M423-M427 HydrophobicContact CB-CG 3.92Å; M423-M427 HydrophobicContact CB-SD 4.2Å; M423-M427 HydrophobicContact CE-CE 3.63Å; M423-M427 HydrophobicContact CE-SD 4.1Å; M423-M427 HydrophobicContact CG-CE 4.18Å; M423-M427 HydrophobicContact CG-CG 4.06Å; M423-M427 HydrophobicContact CG-SD 3.94Å; G425-M427 VanDerWaalsContact C-N 3.33Å; G425-M427 PolarHBondContact O-N 3.23Å; M427-S431 WeakPolarHBondContact O-CB 3.33Å; M427-S431 PolarHBondContact O-N 3.02Å; M427-T461 HydrophobicContact CG-CG2 3.96Å; M427-T461 VanDerWaalsContact CG-O 3.31Å; M427-T461 WeakPolarHBondContact CG-O 3.48Å
428	D	98.8	Very high	94.4	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-71	-42.4	177.8	-66.4	-88.2	0	0	0	110.5	G139 T159 F386 I389 R390 G425 V430 S431	G139-D428 WeakPolarHBondContact CA-OD1 3.33Å; G139-D428 WeakPolarHBondContact CA-OD2 3.32Å; G139-D428 PolarHBondContact N-OD2 2.87Å; T159-D428 HydrophobicContact CG2-CB 4.29Å; T159-D428 VanDerWaalsContact CG2-CG 3.46Å; T159-D428 WeakPolarHBondContact CG2-OD1 3.46Å; T159-D428 PolarHBondContact OG1-OD1 3.45Å; F386-D428 HydrophobicContact CD1-CB 3.5Å; F386-D428 VanDerWaalsContact CD1-CB 3.5Å; F386-D428 HydrophobicContact CE1-CB 3.71Å; I389-D428 HydrophobicContact CG2-CB 4.31Å; R390-D428 IonicContact CZ-OD1 2.86Å; R390-D428 IonicContact NE-OD1 3.33Å; R390-D428 IonicContact NH2-OD1 3.05Å; R390-D428 PolarHBondContact NH2-OD1 3.47Å; R390-D428 VanDerWaalsContact NH2-OD1 3.14Å; G425-D428 PolarHBondContact O-N 3.17Å; G425-D428 VanDerWaalsContact O-N 3.08Å; D428-V430 PolarHBondContact O-N 3.45Å; D428-S431 WeakPolarHBondContact O-CB 3.42Å; D428-S431 PolarHBondContact O-N 3.46Å; D428-S431 VanDerWaalsContact O-N 3.09Å; D428-S431 PolarHBondContact O-OG 3.17Å
429	L	98.5	Very high	95.3	Very high	8 Å²	8	23.2 Å²	23.2	4%	0.042	13%	0.128	C	C	.	.	H	α-helix	trans	-59	-28.3	-179.6	-74.2	171.1	0	0	0	114	N320 I389 T397 G425	N320-L429 HydrophobicContact CB-CD2 3.78Å; N320-L429 WeakPolarHBondContact OD1-CD1 3.12Å; N320-L429 WeakPolarHBondContact OD1-CD2 3.47Å; I389-L429 HydrophobicContact CD1-CD2 3.82Å; I389-L429 HydrophobicContact CG1-CD2 4.09Å; I389-L429 HydrophobicContact CG2-CD2 3.84Å; I389-L429 HydrophobicContact CG2-CG 4.36Å; T397-L429 HydrophobicContact CG2-CB 3.77Å; T397-L429 HydrophobicContact CG2-CD2 4.35Å; T397-L429 HydrophobicContact CG2-CG 4.45Å; T397-L429 PolarHBondContact OG1-O 2.99Å; G425-L429 WeakPolarHBondContact O-CG 3.19Å; G425-L429 PolarHBondContact O-N 3.44Å
430	V	98.5	Very high	96.1	Very high	7 Å²	7	20.6 Å²	20.6	4%	0.042	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	8.6	179.8	-53.5	0	0	0	0	113.6	L399 L410 A426 D428 V437 T461 C465	L399-V430 HydrophobicContact CD1-CG1 3.78Å; L399-V430 HydrophobicContact CD2-CG1 4.21Å; L410-V430 HydrophobicContact CD2-CG1 3.85Å; L410-V430 HydrophobicContact CD2-CG2 4.48Å; A426-V430 WeakPolarHBondContact O-CG2 3.32Å; A426-V430 PolarHBondContact O-N 2.88Å; D428-V430 PolarHBondContact O-N 3.45Å; V430-V437 HydrophobicContact CB-CG1 4.44Å; V430-V437 HydrophobicContact CB-CG2 4.23Å; V430-V437 HydrophobicContact CG1-CG1 3.77Å; V430-V437 HydrophobicContact CG1-CG2 4.21Å; V430-T461 HydrophobicContact CG2-CG2 4.31Å; V430-C465 HydrophobicContact CB-CB 3.91Å; V430-C465 HydrophobicContact CG2-CB 4.22Å; V430-C465 WeakPolarHBondContact O-CB 3.39Å
431	S	97.7	Very high	96.8	Very high	16 Å²	16	20.9 Å²	20.9	11%	0.112	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-25.4	-173.3	69.4	0	0	0	0	114.2	Q195 M427 D428	Q195-S431 PolarHBondContact NE2-O 3Å; M427-S431 WeakPolarHBondContact O-CB 3.33Å; M427-S431 PolarHBondContact O-N 3.02Å; D428-S431 WeakPolarHBondContact O-CB 3.42Å; D428-S431 PolarHBondContact O-N 3.46Å; D428-S431 VanDerWaalsContact O-N 3.09Å; D428-S431 PolarHBondContact O-OG 3.17Å
432	S	97.3	Very high	97.4	Very high	12 Å²	12	23.8 Å²	23.8	8%	0.084	13%	0.13	C	C	.	.			trans	-84.4	128	-178.1	174.1	0	0	0	0	111.2	G392 K434 T435	G392-S432 WeakPolarHBondContact CA-OG 3.49Å; S432-K434 PolarHBondContact O-N 2.68Å; S432-K434 PolarHBondContact OG-N 3.35Å; S432-T435 PolarHBondContact O-N 2.92Å
433	A	94.5	Very high	97.8	Very high	71 Å²	71	23.6 Å²	23.6	59%	0.587	13%	0.128	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-13.7	173.7	0	0	0	0	0	113.7
434	K	97.8	Very high	97.9	Very high	165 Å²	165	23.8 Å²	23.8	72%	0.717	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-22.8	179	-60.8	178.2	-175.7	170.6	0	112.7	S432	S432-K434 PolarHBondContact O-N 2.68Å; S432-K434 PolarHBondContact OG-N 3.35Å
435	T	98.6	Very high	97.7	Very high	4 Å²	4	25.2 Å²	25.2	3%	0.025	14%	0.141	C	C	.	.	S	Bend	trans	-87.9	128.9	-178.8	-60.7	0	0	0	0	109.2	V394 T397 S432 V437	V394-T435 WeakPolarHBondContact O-CB 3.15Å; V394-T435 VanDerWaalsContact O-CG2 3.28Å; V394-T435 WeakPolarHBondContact O-CG2 3.41Å; V394-T435 PolarHBondContact O-OG1 3.39Å; T397-T435 WeakPolarHBondContact OG1-CG2 3.4Å; S432-T435 PolarHBondContact O-N 2.92Å; T435-V437 PolarHBondContact O-N 2.88Å
436	K	98.8	Very high	97.3	Very high	64 Å²	64	35.1 Å²	35.1	28%	0.278	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	122.4	172.6	-178.1	-179.7	170.6	-168.5	0	108.8	E312 D395 L396 T397 V438 N467	E312-K436 VanDerWaalsContact OE2-CE 3.27Å; E312-K436 WeakPolarHBondContact OE2-CE 3.43Å; E312-K436 IonicContact OE2-NZ 3.8Å; E312-K436 PolarHBondContact OE2-NZ 3.03Å; D395-K436 WeakPolarHBondContact O-CB 3.44Å; D395-K436 PolarHBondContact O-N 2.73Å; L396-K436 WeakPolarHBondContact CA-O 3.34Å; L396-K436 HydrophobicContact CD1-CB 4.21Å; L396-K436 HydrophobicContact CD1-CD 4.12Å; L396-K436 HydrophobicContact CD1-CG 4.07Å; T397-K436 PolarHBondContact N-O 2.97Å; K436-V438 HydrophobicContact CD-CG2 4.49Å; K436-V438 HydrophobicContact CG-CG2 4.21Å; K436-N467 WeakPolarHBondContact CA-OD1 3.39Å; K436-N467 HydrophobicContact CG-CB 4.29Å
437	V	98.9	Very high	96.8	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	115.7	178.4	-178.2	0	0	0	0	109.8	T397 L399 V430 T435 C465 V466 N467 R468	T397-V437 WeakPolarHBondContact O-CA 3.46Å; L399-V437 HydrophobicContact CD2-CG1 3.65Å; V430-V437 HydrophobicContact CB-CG1 4.44Å; V430-V437 HydrophobicContact CB-CG2 4.23Å; V430-V437 HydrophobicContact CG1-CG1 3.77Å; V430-V437 HydrophobicContact CG1-CG2 4.21Å; T435-V437 PolarHBondContact O-N 2.88Å; V437-C465 VanDerWaalsContact CB-O 3.32Å; V437-C465 WeakPolarHBondContact CB-O 3.15Å; V437-C465 WeakPolarHBondContact CG2-O 3.37Å; V437-V466 HydrophobicContact CG1-CG2 4.49Å; V437-N467 PolarHBondContact N-OD1 3.33Å; V437-N467 WeakPolarHBondContact O-CB 3.36Å; V437-N467 PolarHBondContact O-N 3.31Å; V437-R468 PolarHBondContact O-N 2.89Å
438	V	98.9	Very high	96.3	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	123.1	177.2	-179.4	0	0	0	0	109.8	E312 L396 T397 M398 L399 K436 R468 I470	E312-V438 HydrophobicContact CG-CG1 4.31Å; E312-V438 HydrophobicContact CG-CG2 4.39Å; L396-V438 HydrophobicContact CD1-CB 4.25Å; L396-V438 HydrophobicContact CD1-CG2 3.53Å; T397-V438 PolarHBondContact O-N 2.86Å; M398-V438 VanDerWaalsContact CA-O 3.26Å; M398-V438 WeakPolarHBondContact CA-O 3.45Å; M398-V438 HydrophobicContact CG-CB 4.18Å; M398-V438 HydrophobicContact CG-CG1 4.29Å; L399-V438 PolarHBondContact N-O 3.07Å; K436-V438 HydrophobicContact CD-CG2 4.49Å; K436-V438 HydrophobicContact CG-CG2 4.21Å; V438-R468 WeakPolarHBondContact CA-O 3.48Å; V438-R468 HydrophobicContact CG1-CB 4.45Å; V438-R468 HydrophobicContact CG1-CG 4.4Å; V438-R468 HydrophobicContact CG2-CB 4.22Å; V438-I470 HydrophobicContact CG1-CD1 3.6Å; V438-I470 HydrophobicContact CG1-CG1 3.97Å
439	V	98.8	Very high	96.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	129.2	173.9	171.6	0	0	0	0	109.9	L399 A401 V404 L410 M441 V466 R468 I470	L399-V439 HydrophobicContact CD2-CG2 4.39Å; L399-V439 VanDerWaalsContact O-CA 3.32Å; L399-V439 WeakPolarHBondContact O-CA 3.44Å; A401-V439 HydrophobicContact CB-CG1 3.42Å; A401-V439 VanDerWaalsContact CB-CG1 3.42Å; A401-V439 HydrophobicContact CB-CG2 4.36Å; V404-V439 HydrophobicContact CG2-CB 4.33Å; V404-V439 HydrophobicContact CG2-CG1 3.92Å; V404-V439 HydrophobicContact CG2-CG2 4.11Å; L410-V439 HydrophobicContact CD1-CG2 3.98Å; V439-M441 HydrophobicContact CG1-CB 4.25Å; V439-M441 HydrophobicContact CG1-CG 3.97Å; V439-M441 HydrophobicContact CG1-SD 3.59Å; V439-M441 VanDerWaalsContact CG1-SD 3.59Å; V439-V466 HydrophobicContact CB-CG1 4.35Å; V439-V466 HydrophobicContact CG2-CB 4.42Å; V439-V466 HydrophobicContact CG2-CG1 3.8Å; V439-V466 HydrophobicContact CG2-CG2 3.68Å; V439-R468 PolarHBondContact N-O 3.36Å; V439-I470 PolarHBondContact O-N 2.74Å
440	T	98.6	Very high	96.1	Very high	3 Å²	3	49.8 Å²	49.8	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	121.5	168.7	56.3	0	0	0	0	110.1	I305 A309 I325 P326 M398 L399 G400 I470	I305-T440 HydrophobicContact CG2-CG2 4.12Å; A309-T440 HydrophobicContact CB-CG2 3.7Å; I325-T440 HydrophobicContact CG2-CG2 4.12Å; P326-T440 WeakPolarHBondContact CD-OG1 3.3Å; P326-T440 WeakPolarHBondContact CG-OG1 3.21Å; M398-T440 HydrophobicContact CG-CG2 3.85Å; M398-T440 HydrophobicContact SD-CG2 3.61Å; L399-T440 PolarHBondContact O-N 2.99Å; G400-T440 WeakPolarHBondContact CA-O 3.27Å; T440-I470 WeakPolarHBondContact CA-O 3.49Å; T440-I470 HydrophobicContact CG2-CB 4.32Å
441	M	97.9	Very high	96.1	Very high	7 Å²	7	51 Å²	51	3%	0.034	29%	0.289	C	S	.	.			trans	-159.6	154.4	-175.3	65	-170.6	-62.2	0	0	112	A401 V404 V439 K451 I469 I470 T471	A401-M441 HydrophobicContact CB-CE 4.26Å; A401-M441 HydrophobicContact CB-SD 3.94Å; V404-M441 HydrophobicContact CG2-SD 3.87Å; V439-M441 HydrophobicContact CG1-CB 4.25Å; V439-M441 HydrophobicContact CG1-CG 3.97Å; V439-M441 HydrophobicContact CG1-SD 3.59Å; V439-M441 VanDerWaalsContact CG1-SD 3.59Å; M441-K451 HydrophobicContact CE-CB 3.39Å; M441-K451 HydrophobicContact CE-CD 3.6Å; M441-K451 HydrophobicContact CE-CG 4.09Å; M441-I469 HydrophobicContact CG-CG2 4.36Å; M441-I469 HydrophobicContact SD-CG2 4.2Å; M441-I470 PolarHBondContact N-O 3.5Å; M441-I470 VanDerWaalsContact N-O 3.07Å; M441-T471 HydrophobicContact CG-CG2 4.24Å; M441-T471 WeakPolarHBondContact O-CA 3.42Å; M441-T471 VanDerWaalsContact O-CB 3.23Å; M441-T471 WeakPolarHBondContact O-CB 3.4Å
442	E	97.3	Very high	96.1	Very high	105 Å²	105	50.3 Å²	50.3	49%	0.491	28%	0.284	S	S	.	.			trans	-63.3	141	162.2	-68.9	174.6	-163.1	0	0	110.4	V301 S444 K451 E472	V301-E442 HydrophobicContact CG1-CG 3.94Å; E442-S444 VanDerWaalsContact C-N 3.34Å; E442-S444 PolarHBondContact O-N 2.7Å; E442-K451 VanDerWaalsContact O-CD 3.27Å; E442-K451 WeakPolarHBondContact O-CD 3.37Å; E442-K451 PolarHBondContact O-NZ 2.93Å; E442-E472 VanDerWaalsContact CA-OE2 3.29Å; E442-E472 WeakPolarHBondContact CA-OE2 3.34Å
443	H	98.1	Very high	96.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	29%	0.286	C	S	.	.	S	Bend	trans	-63.2	-37	-170.6	-160.5	97.1	0	0	0	113.6	T471 E472 K473 F476 S501 T502	H443-T471 HydrophobicContact CB-CG2 4.13Å; H443-T471 WeakPolarHBondContact CB-OG1 3.32Å; H443-T471 PolarHBondContact ND1-OG1 3.22Å; H443-E472 WeakPolarHBondContact CB-OE1 3.47Å; H443-E472 PolarHBondContact N-OE1 3.29Å; H443-E472 PolarHBondContact N-OE2 3.19Å; H443-K473 HydrophobicContact CB-CD 3.98Å; H443-K473 HydrophobicContact CB-CG 4.18Å; H443-F476 AromaticContact CE1-CE2 3.76Å; H443-S501 PolarHBondContact NE2-OG 3.17Å; H443-T502 PolarHBondContact NE2-OG1 3.06Å; H443-T502 VanDerWaalsContact NE2-OG1 3.07Å
444	S	96.2	Very high	96.3	Very high	10 Å²	10	51.1 Å²	51.1	7%	0.07	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-130.6	159.9	-178.2	-51.9	0	0	0	0	110.9	E442 K451	E442-S444 VanDerWaalsContact C-N 3.34Å; E442-S444 PolarHBondContact O-N 2.7Å; S444-K451 VanDerWaalsContact O-CE 3.31Å; S444-K451 WeakPolarHBondContact O-CE 3.1Å; S444-K451 PolarHBondContact O-NZ 3.05Å
445	A	93.2	Very high	96.3	Very high	38 Å²	38	50.7 Å²	50.7	31%	0.314	27%	0.273	S	S	.	.			trans	-84.4	175.7	168.5	0	0	0	0	0	110.7	G447 N448 A449 K451	A445-G447 PolarHBondContact O-N 3.24Å; A445-N448 PolarHBondContact O-N 3.18Å; A445-N448 VanDerWaalsContact O-N 3.11Å; A445-A449 HydrophobicContact CB-CB 4.21Å; A445-A449 PolarHBondContact N-O 2.92Å; A445-K451 HydrophobicContact CB-CD 4.46Å; A445-K451 HydrophobicContact CB-CG 4.17Å
446	K	88.1	Confident	96.3	Very high	209 Å²	209	51.6 Å²	51.6	91%	0.909	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-52.5	137.4	174	-68.7	-174.6	178.3	-177.1	0	110.4	N448	K446-N448 VanDerWaalsContact C-N 3.35Å
447	G	87.9	Confident	96.2	Very high	81 Å²	81	54 Å²	54	84%	0.835	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	74.1	22.5	-176.8	0	0	0	0	0	114.3	A445 A449	A445-G447 PolarHBondContact O-N 3.24Å; G447-A449 PolarHBondContact O-N 2.89Å
448	N	88.4	Confident	96.1	Very high	122 Å²	122	55.6 Å²	55.6	65%	0.652	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	61.3	20.3	-179.9	-64.5	-26.3	0	0	0	115	A445 K446 H450	A445-N448 PolarHBondContact O-N 3.18Å; A445-N448 VanDerWaalsContact O-N 3.11Å; K446-N448 VanDerWaalsContact C-N 3.35Å; N448-H450 PolarHBondContact O-N 3.04Å
449	A	94.5	Very high	96	Very high	53 Å²	53	56.5 Å²	56.5	44%	0.438	31%	0.314	S	S	.	.			trans	-64.8	133.3	173.8	0	0	0	0	0	110.5	A445 G447	A445-A449 HydrophobicContact CB-CB 4.21Å; A445-A449 PolarHBondContact N-O 2.92Å; G447-A449 PolarHBondContact O-N 2.89Å
450	H	97.3	Very high	95.9	Very high	77 Å²	77	58.2 Å²	58.2	36%	0.356	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-64.2	138.6	-176.3	-57.7	-53.9	0	0	0	111.7	N448 M453 K500 S501	N448-H450 PolarHBondContact O-N 3.04Å; H450-M453 HydrophobicContact CB-CE 4.45Å; H450-M453 WeakPolarHBondContact O-CE 3.27Å; H450-K500 PolarHBondContact CE1-O 3.24Å; H450-S501 VanDerWaalsContact ND1-C 3.32Å; H450-S501 PolarHBondContact ND1-O 3.19Å
451	K	98.4	Very high	95.9	Very high	34 Å²	34	58.1 Å²	58.1	15%	0.148	32%	0.322	C	S	.	.	S	Bend	trans	-109.7	-30.9	168.3	-66.3	174.4	169.6	159.2	0	112	M402 Q403 V404 M441 E442 S444 A445	M402-K451 WeakPolarHBondContact O-CB 3.44Å; M402-K451 WeakPolarHBondContact O-CG 3.17Å; Q403-K451 CarbonylContact C-O 3.52Å; Q403-K451 WeakPolarHBondContact CA-O 3.35Å; V404-K451 PolarHBondContact N-O 3.27Å; M441-K451 HydrophobicContact CE-CB 3.39Å; M441-K451 HydrophobicContact CE-CD 3.6Å; M441-K451 HydrophobicContact CE-CG 4.09Å; E442-K451 VanDerWaalsContact O-CD 3.27Å; E442-K451 WeakPolarHBondContact O-CD 3.37Å; E442-K451 PolarHBondContact O-NZ 2.93Å; S444-K451 VanDerWaalsContact O-CE 3.31Å; S444-K451 WeakPolarHBondContact O-CE 3.1Å; S444-K451 PolarHBondContact O-NZ 3.05Å; A445-K451 HydrophobicContact CB-CD 4.46Å; A445-K451 HydrophobicContact CB-CG 4.17Å
452	I	98.8	Very high	95.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	119.9	168.1	-52.8	172.4	0	0	0	107	V404 I469 T471 F476 L484 T502 G503	V404-I452 WeakPolarHBondContact O-CA 3.36Å; I452-I469 HydrophobicContact CD1-CD1 4.43Å; I452-I469 HydrophobicContact CD1-CG2 4.02Å; I452-I469 HydrophobicContact CG1-CD1 4.45Å; I452-I469 HydrophobicContact CG1-CG2 4.49Å; I452-I469 HydrophobicContact CG2-CD1 4.27Å; I452-T471 HydrophobicContact CD1-CG2 4.12Å; I452-F476 HydrophobicContact CD1-CD2 4.15Å; I452-F476 HydrophobicContact CD1-CE2 3.81Å; I452-L484 HydrophobicContact CG2-CD1 3.49Å; I452-L484 VanDerWaalsContact CG2-CD1 3.49Å; I452-T502 HydrophobicContact CB-CG2 4.08Å; I452-T502 HydrophobicContact CG2-CG2 3.78Å; I452-G503 WeakPolarHBondContact O-CA 3.28Å; I452-G503 PolarHBondContact O-N 2.96Å
453	M	97.8	Very high	96	Very high	24 Å²	24	58 Å²	58	12%	0.118	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	167.4	-167.4	52.1	-178.8	56.2	0	0	113.1	Q403 V404 S405 K406 H450 K455 T457	Q403-M453 HydrophobicContact CB-SD 4.35Å; Q403-M453 VanDerWaalsContact CD-SD 3.55Å; Q403-M453 HydrophobicContact CG-CE 4.01Å; Q403-M453 HydrophobicContact CG-SD 4.07Å; V404-M453 PolarHBondContact O-N 2.87Å; S405-M453 CarbonylContact C-O 3.57Å; S405-M453 WeakPolarHBondContact CA-O 3.33Å; K406-M453 PolarHBondContact N-O 2.92Å; H450-M453 HydrophobicContact CB-CE 4.45Å; H450-M453 WeakPolarHBondContact O-CE 3.27Å; M453-K455 VanDerWaalsContact C-N 3.31Å; M453-K455 WeakPolarHBondContact CG-O 3.43Å; M453-K455 PolarHBondContact O-N 3.36Å; M453-T457 HydrophobicContact SD-CG2 4.48Å
454	E	98.1	Very high	96	Very high	76 Å²	76	61.3 Å²	61.3	36%	0.355	34%	0.337	S	S	.	.	S	Bend	trans	-60.6	-42.3	-178.9	-172.7	66.9	-159	0	0	111.6	K406 G503 C504	K406-E454 WeakPolarHBondContact CD-OE1 3.48Å; K406-E454 WeakPolarHBondContact CD-OE2 3.39Å; K406-E454 IonicContact NZ-OE1 3.51Å; K406-E454 IonicContact NZ-OE2 2.83Å; K406-E454 PolarHBondContact NZ-OE2 2.95Å; E454-G503 PolarHBondContact N-O 2.79Å; E454-C504 HydrophobicContact CB-CB 4.14Å; E454-C504 WeakPolarHBondContact OE2-CB 3.33Å
455	K	98.1	Very high	96.1	Very high	156 Å²	156	61.4 Å²	61.4	68%	0.678	34%	0.337	S	S	*	.	S	Bend	trans	-143.5	139.7	174.9	-65.1	-177.3	-178.6	178.4	0	109.4	M453	M453-K455 VanDerWaalsContact C-N 3.31Å; M453-K455 WeakPolarHBondContact CG-O 3.43Å; M453-K455 PolarHBondContact O-N 3.36Å
456	C	98.1	Very high	96.3	Very high	23 Å²	23	59.6 Å²	59.6	16%	0.155	32%	0.323	C	S	.	.			trans	-61.3	143.3	172.2	-62.5	0	0	0	0	110.5	Q403 A411 L460	Q403-C456 HydrophobicContact CB-CB 4.37Å; A411-C456 HydrophobicContact CB-CB 4.29Å; C456-L460 HydrophobicContact CB-CD2 3.53Å
457	T	96.4	Very high	96.9	Very high	115 Å²	115	52.4 Å²	52.4	71%	0.706	29%	0.294	S	S	*	.	S	Bend	trans	-101.9	-18.8	173.4	48.7	0	0	0	0	111.8	Q403 M453	Q403-T457 PolarHBondContact NE2-OG1 3.08Å; Q403-T457 PolarHBondContact OE1-OG1 2.89Å; M453-T457 HydrophobicContact SD-CG2 4.48Å
458	L	96.5	Very high	97.4	Very high	34 Å²	34	50.6 Å²	50.6	18%	0.178	26%	0.262	C	S	.	.	S	Bend	trans	-85.8	154.4	172.4	-62.7	177.5	0	0	0	111.4	M402 Q403 A411 I415 L460	M402-L458 HydrophobicContact CB-CD1 3.69Å; M402-L458 HydrophobicContact CG-CD1 4.44Å; M402-L458 HydrophobicContact SD-CD1 3.93Å; Q403-L458 HydrophobicContact CG-CD1 4.17Å; A411-L458 HydrophobicContact CB-CB 3.85Å; I415-L458 HydrophobicContact CG1-CD1 4.36Å; I415-L458 HydrophobicContact CG1-CD2 4.29Å; I415-L458 HydrophobicContact CG2-CD2 4.29Å; L458-L460 PolarHBondContact O-N 3.4Å
459	P	96.8	Very high	97.9	Very high	20 Å²	20	44.8 Å²	44.8	13%	0.13	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-53	130.8	174.8	-27.8	36.1	0	0	0	112.6	L164 A411 W413 M414 P416	L164-P459 HydrophobicContact CD1-CB 3.83Å; L164-P459 HydrophobicContact CD1-CG 4.06Å; L164-P459 HydrophobicContact CG-CB 4.36Å; A411-P459 WeakPolarHBondContact CB-O 3.37Å; W413-P459 HydrophobicContact CZ2-CB 3.9Å; W413-P459 PolarHBondContact NE1-O 2.96Å; M414-P459 HydrophobicContact CB-CG 4.43Å; M414-P459 HydrophobicContact CG-CG 4.3Å; M414-P459 HydrophobicContact SD-CG 4.01Å; P416-P459 HydrophobicContact CG-CG 3.84Å
460	L	98.3	Very high	98.1	Very high	36 Å²	36	42.2 Å²	42.2	19%	0.188	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-69.7	144.2	-176.5	-61.8	-174.5	0	0	0	112.1	T163 D409 L410 A411 W413 C456 L458	T163-L460 WeakPolarHBondContact CB-O 3.32Å; T163-L460 HydrophobicContact CG2-CB 4.18Å; T163-L460 WeakPolarHBondContact CG2-O 3.4Å; D409-L460 HydrophobicContact CB-CD1 4.18Å; D409-L460 HydrophobicContact CB-CD2 3.84Å; L410-L460 CarbonylContact O-C 3.5Å; L410-L460 WeakPolarHBondContact O-CA 3.36Å; A411-L460 HydrophobicContact CB-CD2 4.45Å; W413-L460 PolarHBondContact NE1-O 3.04Å; C456-L460 HydrophobicContact CB-CD2 3.53Å; L458-L460 PolarHBondContact O-N 3.4Å
461	T	98.3	Very high	98.1	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.006	19%	0.193	C	C	.	.	S	Bend	trans	-87.1	-39.3	162.9	-49.6	0	0	0	0	110.4	L410 N412 A426 M427 V430	L410-T461 HydrophobicContact CD2-CG2 4.1Å; L410-T461 PolarHBondContact O-N 2.61Å; N412-T461 PolarHBondContact N-OG1 2.99Å; N412-T461 WeakPolarHBondContact OD1-CG2 3.34Å; N412-T461 PolarHBondContact OD1-OG1 2.88Å; A426-T461 HydrophobicContact CB-CG2 3.77Å; M427-T461 HydrophobicContact CG-CG2 3.96Å; M427-T461 VanDerWaalsContact CG-O 3.31Å; M427-T461 WeakPolarHBondContact CG-O 3.48Å; V430-T461 HydrophobicContact CG2-CG2 4.31Å
462	G	98.2	Very high	98.1	Very high	7 Å²	7	37.9 Å²	37.9	7%	0.072	19%	0.19	C	C	.	.	B	Isolated β-bridge	trans	-163.2	149.2	179	0	0	0	0	0	111.3	D409 L410	D409-G462 WeakPolarHBondContact CA-O 3.44Å; L410-G462 PolarHBondContact N-O 2.85Å; L410-G462 PolarHBondContact O-N 2.91Å
463	K	98	Very high	98.1	Very high	102 Å²	102	40.3 Å²	40.3	44%	0.443	20%	0.201	S	C	.	.	S	Bend	trans	-97.1	130	-179.9	-176.2	176.2	-177.9	175.5	0	110.1	D409 C465	D409-K463 WeakPolarHBondContact OD1-CA 3.38Å; D409-K463 WeakPolarHBondContact OD1-CG 3.29Å; K463-C465 PolarHBondContact O-N 2.96Å; K463-C465 VanDerWaalsContact O-N 3.17Å
464	Q	98.1	Very high	98.1	Very high	70 Å²	70	39.1 Å²	39.1	33%	0.327	20%	0.195	S	C	.	.	S	Bend	trans	45.3	46.8	177	-59.5	-179.6	-15.9	0	0	113.6	Y407 G408 D409 K480	Y407-Q464 WeakPolarHBondContact O-CA 3.46Å; G408-Q464 CarbonylContact O-C 3.46Å; G408-Q464 WeakPolarHBondContact O-CA 3.43Å; G408-Q464 PolarHBondContact O-N 3.12Å; D409-Q464 PolarHBondContact OD1-N 3.44Å; Q464-K480 HydrophobicContact CB-CB 4.31Å; Q464-K480 HydrophobicContact CB-CD 4.08Å; Q464-K480 HydrophobicContact CB-CG 4.1Å; Q464-K480 WeakPolarHBondContact O-CD 3.49Å; Q464-K480 WeakPolarHBondContact O-CE 3.49Å; Q464-K480 PolarHBondContact O-NZ 2.83Å
465	C	98.4	Very high	98.1	Very high	11 Å²	11	35.5 Å²	35.5	7%	0.074	18%	0.178	C	C	.	.			trans	-107.6	-25.1	-174.7	60.1	0	0	0	0	113.6	G408 V430 V437 K463	G408-C465 PolarHBondContact O-N 3.19Å; V430-C465 HydrophobicContact CB-CB 3.91Å; V430-C465 HydrophobicContact CG2-CB 4.22Å; V430-C465 WeakPolarHBondContact O-CB 3.39Å; V437-C465 VanDerWaalsContact CB-O 3.32Å; V437-C465 WeakPolarHBondContact CB-O 3.15Å; V437-C465 WeakPolarHBondContact CG2-O 3.37Å; K463-C465 PolarHBondContact O-N 2.96Å; K463-C465 VanDerWaalsContact O-N 3.17Å
466	V	98.8	Very high	98.2	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.006	15%	0.146	C	C	.	.			trans	-74.9	133.3	-178.7	-179	0	0	0	0	110.5	V404 G408 L410 V437 V439 R468 I469 V478	V404-V466 HydrophobicContact CG1-CB 4.26Å; V404-V466 HydrophobicContact CG1-CG1 4.28Å; V404-V466 HydrophobicContact CG1-CG2 4.08Å; G408-V466 PolarHBondContact O-N 3.32Å; L410-V466 HydrophobicContact CB-CG2 3.99Å; L410-V466 HydrophobicContact CD1-CG2 4.46Å; V437-V466 HydrophobicContact CG1-CG2 4.49Å; V439-V466 HydrophobicContact CB-CG1 4.35Å; V439-V466 HydrophobicContact CG2-CB 4.42Å; V439-V466 HydrophobicContact CG2-CG1 3.8Å; V439-V466 HydrophobicContact CG2-CG2 3.68Å; V466-R468 WeakPolarHBondContact CG1-O 3.28Å; V466-I469 HydrophobicContact CG1-CG1 4.01Å; V466-V478 HydrophobicContact CG1-CG2 4.16Å; V466-V478 WeakPolarHBondContact O-CB 3.39Å; V466-V478 WeakPolarHBondContact O-CG1 3.25Å
467	N	98.9	Very high	98.2	Very high	57 Å²	57	29.7 Å²	29.7	31%	0.305	15%	0.153	S	C	.	.			trans	-101.4	-30.9	174.8	-60.5	104.8	0	0	0	112.8	K436 V437 V478	K436-N467 WeakPolarHBondContact CA-OD1 3.39Å; K436-N467 HydrophobicContact CG-CB 4.29Å; V437-N467 PolarHBondContact N-OD1 3.33Å; V437-N467 WeakPolarHBondContact O-CB 3.36Å; V437-N467 PolarHBondContact O-N 3.31Å; N467-V478 PolarHBondContact O-N 3.25Å
468	R	98.9	Very high	98.3	Very high	43 Å²	43	24.8 Å²	24.8	16%	0.162	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	144.6	-179.4	175.1	170.5	-70.9	177.8	-3	111.7	E312 V437 V438 V439 V466 I470 V475 F476 D477	E312-R468 VanDerWaalsContact CD-NH1 3.35Å; E312-R468 WeakPolarHBondContact OE1-CD 3.1Å; E312-R468 IonicContact OE1-CZ 3.46Å; E312-R468 IonicContact OE1-NE 3.85Å; E312-R468 IonicContact OE1-NH1 2.67Å; E312-R468 PolarHBondContact OE1-NH1 3.2Å; E312-R468 IonicContact OE2-CZ 3.64Å; E312-R468 IonicContact OE2-NH1 3.42Å; E312-R468 PolarHBondContact OE2-NH1 3.34Å; E312-R468 VanDerWaalsContact OE2-NH1 3.13Å; V437-R468 PolarHBondContact O-N 2.89Å; V438-R468 WeakPolarHBondContact CA-O 3.48Å; V438-R468 HydrophobicContact CG1-CB 4.45Å; V438-R468 HydrophobicContact CG1-CG 4.4Å; V438-R468 HydrophobicContact CG2-CB 4.22Å; V439-R468 PolarHBondContact N-O 3.36Å; V466-R468 WeakPolarHBondContact CG1-O 3.28Å; R468-I470 HydrophobicContact CG-CG1 4.11Å; R468-V475 HydrophobicContact CG-CG1 3.82Å; R468-F476 CarbonylContact C-O 3.57Å; R468-F476 VanDerWaalsContact CA-O 3.24Å; R468-F476 WeakPolarHBondContact CA-O 3.16Å; R468-F476 WeakPolarHBondContact CG-O 3.21Å; R468-D477 IonicContact CZ-OD1 2.76Å; R468-D477 IonicContact NE-OD1 3.67Å; R468-D477 PolarHBondContact NE-OD1 2.81Å; R468-D477 IonicContact NH2-OD1 3.68Å; R468-D477 PolarHBondContact NH2-OD1 2.91Å; R468-D477 IonicContact NH2-OD2 2.85Å; R468-D477 PolarHBondContact NH2-OD2 2.68Å
469	I	98.9	Very high	98.4	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.2	174.4	-51.5	167.5	0	0	0	107.8	V404 M441 I452 V466 T471 V475 F476 V478 L484	V404-I469 HydrophobicContact CB-CD1 3.94Å; V404-I469 HydrophobicContact CB-CG1 4.49Å; V404-I469 HydrophobicContact CG1-CD1 3.52Å; V404-I469 HydrophobicContact CG1-CG1 4.01Å; V404-I469 HydrophobicContact CG2-CD1 4.5Å; M441-I469 HydrophobicContact CG-CG2 4.36Å; M441-I469 HydrophobicContact SD-CG2 4.2Å; I452-I469 HydrophobicContact CD1-CD1 4.43Å; I452-I469 HydrophobicContact CD1-CG2 4.02Å; I452-I469 HydrophobicContact CG1-CD1 4.45Å; I452-I469 HydrophobicContact CG1-CG2 4.49Å; I452-I469 HydrophobicContact CG2-CD1 4.27Å; V466-I469 HydrophobicContact CG1-CG1 4.01Å; I469-T471 HydrophobicContact CG2-CG2 3.93Å; I469-V475 WeakPolarHBondContact O-CA 3.35Å; I469-F476 HydrophobicContact CB-CB 4.39Å; I469-F476 HydrophobicContact CB-CD2 4.48Å; I469-F476 PolarHBondContact N-O 2.77Å; I469-F476 PolarHBondContact O-N 2.87Å; I469-V478 HydrophobicContact CD1-CG2 3.97Å; I469-V478 HydrophobicContact CG1-CG2 3.86Å; I469-L484 HydrophobicContact CD1-CD2 3.96Å
470	I	98.8	Very high	98.4	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	120.7	175.1	-57.3	176.2	0	0	0	107.9	I305 R308 A309 E312 V438 V439 T440 M441 R468 V475	I305-I470 HydrophobicContact CG2-CG2 4.09Å; R308-I470 HydrophobicContact CB-CG2 4.01Å; R308-I470 HydrophobicContact CG-CG2 3.68Å; A309-I470 HydrophobicContact CB-CD1 4.29Å; E312-I470 HydrophobicContact CG-CD1 3.74Å; V438-I470 HydrophobicContact CG1-CD1 3.6Å; V438-I470 HydrophobicContact CG1-CG1 3.97Å; V439-I470 PolarHBondContact O-N 2.74Å; T440-I470 WeakPolarHBondContact CA-O 3.49Å; T440-I470 HydrophobicContact CG2-CB 4.32Å; M441-I470 PolarHBondContact N-O 3.5Å; M441-I470 VanDerWaalsContact N-O 3.07Å; R468-I470 HydrophobicContact CG-CG1 4.11Å; I470-V475 HydrophobicContact CG1-CG1 4.12Å; I470-V475 HydrophobicContact CG1-CG2 4.46Å; I470-V475 HydrophobicContact CG2-CG2 4.4Å
471	T	98.6	Very high	98.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.173	C	C	.	.			trans	-123.5	177	172.6	91.7	0	0	0	0	110.8	M441 H443 I452 I469 K473 A474 M515	M441-T471 HydrophobicContact CG-CG2 4.24Å; M441-T471 WeakPolarHBondContact O-CA 3.42Å; M441-T471 VanDerWaalsContact O-CB 3.23Å; M441-T471 WeakPolarHBondContact O-CB 3.4Å; H443-T471 HydrophobicContact CB-CG2 4.13Å; H443-T471 WeakPolarHBondContact CB-OG1 3.32Å; H443-T471 PolarHBondContact ND1-OG1 3.22Å; I452-T471 HydrophobicContact CD1-CG2 4.12Å; I469-T471 HydrophobicContact CG2-CG2 3.93Å; T471-K473 PolarHBondContact O-N 3.01Å; T471-K473 PolarHBondContact OG1-N 3.47Å; T471-A474 PolarHBondContact N-O 2.81Å; T471-A474 PolarHBondContact OG1-N 2.7Å; T471-M515 WeakPolarHBondContact O-CE 3.21Å
472	E	97.4	Very high	98.3	Very high	19 Å²	19	44.8 Å²	44.8	9%	0.089	21%	0.208	C	C	.	.	S	Bend	trans	-68.4	-11.5	174.6	78.6	-72.7	-179.3	0	0	113.6	V301 I305 E442 H443	V301-E472 HydrophobicContact CB-CB 4.27Å; V301-E472 HydrophobicContact CB-CG 4.38Å; V301-E472 HydrophobicContact CG1-CB 3.71Å; V301-E472 HydrophobicContact CG1-CG 3.72Å; V301-E472 HydrophobicContact CG2-CB 4.49Å; V301-E472 HydrophobicContact CG2-CG 4.19Å; I305-E472 HydrophobicContact CD1-CB 4.14Å; I305-E472 HydrophobicContact CG1-CB 3.98Å; I305-E472 VanDerWaalsContact CG1-N 3.33Å; E442-E472 VanDerWaalsContact CA-OE2 3.29Å; E442-E472 WeakPolarHBondContact CA-OE2 3.34Å; H443-E472 WeakPolarHBondContact CB-OE1 3.47Å; H443-E472 PolarHBondContact N-OE1 3.29Å; H443-E472 PolarHBondContact N-OE2 3.19Å
473	K	97.8	Very high	98.3	Very high	51 Å²	51	44.5 Å²	44.5	22%	0.222	21%	0.205	C	C	.	.	S	Bend	trans	-113.5	-37.8	-174.1	-58.8	-171.9	-176.2	177.4	0	113.1	H443 T471 W490 L493 I498	H443-K473 HydrophobicContact CB-CD 3.98Å; H443-K473 HydrophobicContact CB-CG 4.18Å; T471-K473 PolarHBondContact O-N 3.01Å; T471-K473 PolarHBondContact OG1-N 3.47Å; K473-W490 WeakPolarHBondContact O-CB 3.41Å; K473-W490 PolarHBondContact O-N 3.03Å; K473-L493 HydrophobicContact CB-CD1 3.61Å; K473-L493 HydrophobicContact CD-CD1 4.18Å; K473-L493 HydrophobicContact CG-CD1 3.78Å; K473-I498 HydrophobicContact CB-CD1 3.68Å; K473-I498 HydrophobicContact CD-CD1 4.4Å
474	A	98.5	Very high	98.4	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	156.9	-169.8	0	0	0	0	0	112.2	T471 F476 L486 E488 I498	T471-A474 PolarHBondContact N-O 2.81Å; T471-A474 PolarHBondContact OG1-N 2.7Å; A474-F476 HydrophobicContact CB-CD2 4.23Å; A474-F476 HydrophobicContact CB-CE2 3.61Å; A474-F476 HydrophobicContact CB-CZ 4Å; A474-L486 HydrophobicContact CB-CD1 3.5Å; A474-L486 VanDerWaalsContact CB-CD1 3.5Å; A474-E488 WeakPolarHBondContact CA-O 3.42Å; A474-I498 HydrophobicContact CB-CD1 4.06Å; A474-I498 HydrophobicContact CB-CG1 4.41Å; A474-I498 HydrophobicContact CB-CG2 4.33Å
475	V	98.9	Very high	98.4	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	128.4	163.6	-173	0	0	0	0	108.9	R308 R468 I469 I470 I487 E488 M515	R308-V475 HydrophobicContact CG-CG2 3.93Å; R468-V475 HydrophobicContact CG-CG1 3.82Å; I469-V475 WeakPolarHBondContact O-CA 3.35Å; I470-V475 HydrophobicContact CG1-CG1 4.12Å; I470-V475 HydrophobicContact CG1-CG2 4.46Å; I470-V475 HydrophobicContact CG2-CG2 4.4Å; V475-I487 HydrophobicContact CB-CD1 4.36Å; V475-I487 HydrophobicContact CB-CG1 3.99Å; V475-I487 HydrophobicContact CG1-CD1 3.78Å; V475-I487 HydrophobicContact CG1-CG1 3.87Å; V475-I487 VanDerWaalsContact O-CG1 3.26Å; V475-I487 WeakPolarHBondContact O-CG1 3.45Å; V475-I487 PolarHBondContact O-N 2.81Å; V475-E488 HydrophobicContact CB-CB 3.85Å; V475-E488 HydrophobicContact CB-CG 4.3Å; V475-E488 HydrophobicContact CG2-CB 3.89Å; V475-E488 HydrophobicContact CG2-CG 4.4Å; V475-E488 PolarHBondContact N-O 3.37Å; V475-E488 PolarHBondContact O-N 2.99Å; V475-M515 HydrophobicContact CG2-CE 4.17Å; V475-M515 HydrophobicContact CG2-CG 4.33Å
476	F	98.9	Very high	98.4	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	133.2	175	-59.9	-91	0	0	0	110.8	H443 I452 R468 I469 A474 L484 T485 L486 I498 F506	H443-F476 AromaticContact CE1-CE2 3.76Å; I452-F476 HydrophobicContact CD1-CD2 4.15Å; I452-F476 HydrophobicContact CD1-CE2 3.81Å; R468-F476 CarbonylContact C-O 3.57Å; R468-F476 VanDerWaalsContact CA-O 3.24Å; R468-F476 WeakPolarHBondContact CA-O 3.16Å; R468-F476 WeakPolarHBondContact CG-O 3.21Å; I469-F476 HydrophobicContact CB-CB 4.39Å; I469-F476 HydrophobicContact CB-CD2 4.48Å; I469-F476 PolarHBondContact N-O 2.77Å; I469-F476 PolarHBondContact O-N 2.87Å; A474-F476 HydrophobicContact CB-CD2 4.23Å; A474-F476 HydrophobicContact CB-CE2 3.61Å; A474-F476 HydrophobicContact CB-CZ 4Å; F476-L484 HydrophobicContact CD1-CB 4.15Å; F476-T485 CarbonylContact C-O 3.59Å; F476-T485 VanDerWaalsContact CA-O 3.26Å; F476-T485 WeakPolarHBondContact CA-O 3.46Å; F476-L486 HydrophobicContact CD1-CB 4.03Å; F476-L486 HydrophobicContact CD1-CD1 4.2Å; F476-L486 HydrophobicContact CE1-CB 3.9Å; F476-L486 HydrophobicContact CE1-CD1 3.83Å; F476-L486 HydrophobicContact CE1-CG 4.44Å; F476-L486 HydrophobicContact CZ-CD1 4.05Å; F476-I498 HydrophobicContact CE1-CG2 4.24Å; F476-I498 HydrophobicContact CE2-CG2 4.4Å; F476-I498 HydrophobicContact CZ-CG2 3.5Å; F476-I498 VanDerWaalsContact CZ-CG2 3.5Å; F476-F506 HydrophobicContact CD1-CB 4.38Å; F476-F506 HydrophobicContact CD1-CG 4.48Å; F476-F506 HydrophobicContact CE1-CB 4.06Å; F476-F506 AromaticContact CE1-CD1 3.94Å; F476-F506 HydrophobicContact CE1-CD1 3.94Å; F476-F506 AromaticContact CE1-CD2 3.97Å; F476-F506 HydrophobicContact CE1-CD2 3.97Å; F476-F506 HydrophobicContact CE1-CE1 4.34Å; F476-F506 HydrophobicContact CE1-CE2 4.38Å; F476-F506 AromaticContact CE1-CG 3.73Å; F476-F506 HydrophobicContact CE1-CG 3.73Å; F476-F506 HydrophobicContact CZ-CD1 4.45Å
477	D	98.9	Very high	98.4	Very high	56 Å²	56	39 Å²	39	30%	0.299	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	143.7	158.2	-76	-15.8	0	0	0	109.5	R468 L484 T485 I487	R468-D477 IonicContact CZ-OD1 2.76Å; R468-D477 IonicContact NE-OD1 3.67Å; R468-D477 PolarHBondContact NE-OD1 2.81Å; R468-D477 IonicContact NH2-OD1 3.68Å; R468-D477 PolarHBondContact NH2-OD1 2.91Å; R468-D477 IonicContact NH2-OD2 2.85Å; R468-D477 PolarHBondContact NH2-OD2 2.68Å; D477-L484 CarbonylContact O-C 3.58Å; D477-L484 WeakPolarHBondContact O-CA 3.39Å; D477-T485 PolarHBondContact N-O 3.26Å; D477-T485 PolarHBondContact O-N 2.8Å; D477-I487 HydrophobicContact CB-CG2 4.27Å
478	V	98.8	Very high	98.4	Very high	13 Å²	13	36.8 Å²	36.8	8%	0.079	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.3	-175.4	-171.3	0	0	0	0	109.5	V466 N467 I469 L484	V466-V478 HydrophobicContact CG1-CG2 4.16Å; V466-V478 WeakPolarHBondContact O-CB 3.39Å; V466-V478 WeakPolarHBondContact O-CG1 3.25Å; N467-V478 PolarHBondContact O-N 3.25Å; I469-V478 HydrophobicContact CD1-CG2 3.97Å; I469-V478 HydrophobicContact CG1-CG2 3.86Å; V478-L484 HydrophobicContact CB-CD2 4.3Å; V478-L484 HydrophobicContact CG1-CD2 4.06Å; V478-L484 HydrophobicContact CG2-CD2 3.64Å
479	D	98.5	Very high	98.4	Very high	66 Å²	66	35.6 Å²	35.6	35%	0.353	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.8	173.5	-179.6	-74.3	0	0	0	109.9	K481 K482 G483	D479-K481 PolarHBondContact O-N 3.41Å; D479-K481 WeakPolarHBondContact OD1-CA 3.42Å; D479-K481 WeakPolarHBondContact OD1-CB 3.27Å; D479-K481 PolarHBondContact OD1-N 3.24Å; D479-K482 HydrophobicContact CB-CB 3.99Å; D479-K482 PolarHBondContact OD1-N 3.31Å; D479-G483 PolarHBondContact N-O 3.23Å; D479-G483 WeakPolarHBondContact O-CA 3.49Å; D479-G483 PolarHBondContact O-N 2.98Å
480	K	96.6	Very high	98.3	Very high	88 Å²	88	38.2 Å²	38.2	38%	0.383	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-17.7	-175.4	-52.9	-172.4	-174.1	-156.8	0	113.9	Q464	Q464-K480 HydrophobicContact CB-CB 4.31Å; Q464-K480 HydrophobicContact CB-CD 4.08Å; Q464-K480 HydrophobicContact CB-CG 4.1Å; Q464-K480 WeakPolarHBondContact O-CD 3.49Å; Q464-K480 WeakPolarHBondContact O-CE 3.49Å; Q464-K480 PolarHBondContact O-NZ 2.83Å
481	K	96.9	Very high	98	Very high	186 Å²	186	45.7 Å²	45.7	81%	0.809	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116.1	-40.3	-178.5	-60.6	-176.2	-179.2	-178.8	0	113	Y407 D479	Y407-K481 VanDerWaalsContact CE1-O 3.32Å; Y407-K481 WeakPolarHBondContact CE1-O 3.45Å; D479-K481 PolarHBondContact O-N 3.41Å; D479-K481 WeakPolarHBondContact OD1-CA 3.42Å; D479-K481 WeakPolarHBondContact OD1-CB 3.27Å; D479-K481 PolarHBondContact OD1-N 3.24Å
482	K	97.8	Very high	97.8	Very high	171 Å²	171	49.3 Å²	49.3	74%	0.743	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-20.1	-176.8	-57.9	174.4	-176.9	171.1	0	112.6	D479	D479-K482 HydrophobicContact CB-CB 3.99Å; D479-K482 PolarHBondContact OD1-N 3.31Å
483	G	98.4	Very high	97.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	83.6	-148.4	-177.3	0	0	0	0	0	112.5	K406 D479	K406-G483 CarbonylContact O-C 3.57Å; K406-G483 WeakPolarHBondContact O-CA 3.44Å; D479-G483 PolarHBondContact N-O 3.23Å; D479-G483 WeakPolarHBondContact O-CA 3.49Å; D479-G483 PolarHBondContact O-N 2.98Å
484	L	98.9	Very high	97.7	Very high	3 Å²	3	52.1 Å²	52.1	2%	0.016	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	139.8	-174	-55.5	-179.3	0	0	0	112.5	K406 I452 I469 F476 D477 V478 F506 A507	K406-L484 WeakPolarHBondContact O-CD2 3.45Å; K406-L484 PolarHBondContact O-N 3.19Å; I452-L484 HydrophobicContact CG2-CD1 3.49Å; I452-L484 VanDerWaalsContact CG2-CD1 3.49Å; I469-L484 HydrophobicContact CD1-CD2 3.96Å; F476-L484 HydrophobicContact CD1-CB 4.15Å; D477-L484 CarbonylContact O-C 3.58Å; D477-L484 WeakPolarHBondContact O-CA 3.39Å; V478-L484 HydrophobicContact CB-CD2 4.3Å; V478-L484 HydrophobicContact CG1-CD2 4.06Å; V478-L484 HydrophobicContact CG2-CD2 3.64Å; L484-F506 HydrophobicContact CB-CB 3.66Å; L484-F506 WeakPolarHBondContact O-CA 3.04Å; L484-A507 PolarHBondContact O-N 3.36Å
485	T	98.9	Very high	97.7	Very high	42 Å²	42	54 Å²	54	26%	0.258	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117.7	167.1	-57.6	0	0	0	0	109.7	F476 D477 I487 A507	F476-T485 CarbonylContact C-O 3.59Å; F476-T485 VanDerWaalsContact CA-O 3.26Å; F476-T485 WeakPolarHBondContact CA-O 3.46Å; D477-T485 PolarHBondContact N-O 3.26Å; D477-T485 PolarHBondContact O-N 2.8Å; T485-I487 HydrophobicContact CG2-CG2 4.19Å; T485-I487 PolarHBondContact O-N 2.88Å; T485-A507 CarbonylContact C-O 3.43Å; T485-A507 WeakPolarHBondContact CA-O 3.23Å; T485-A507 HydrophobicContact CG2-CB 4.43Å
486	L	98.9	Very high	97.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	115.6	172.6	-179.9	67.3	0	0	0	109.1	A474 F476 E488 V495 F506 A507 S509 L512	A474-L486 HydrophobicContact CB-CD1 3.5Å; A474-L486 VanDerWaalsContact CB-CD1 3.5Å; F476-L486 HydrophobicContact CD1-CB 4.03Å; F476-L486 HydrophobicContact CD1-CD1 4.2Å; F476-L486 HydrophobicContact CE1-CB 3.9Å; F476-L486 HydrophobicContact CE1-CD1 3.83Å; F476-L486 HydrophobicContact CE1-CG 4.44Å; F476-L486 HydrophobicContact CZ-CD1 4.05Å; L486-E488 VanDerWaalsContact CD1-O 3.3Å; L486-E488 WeakPolarHBondContact CD1-O 3.28Å; L486-V495 HydrophobicContact CD2-CG2 4.24Å; L486-F506 HydrophobicContact CB-CD2 3.8Å; L486-F506 HydrophobicContact CB-CE2 3.97Å; L486-F506 HydrophobicContact CD2-CE2 3.86Å; L486-F506 HydrophobicContact CG-CE2 4.49Å; L486-A507 PolarHBondContact N-O 3.34Å; L486-S509 VanDerWaalsContact O-CB 3.24Å; L486-S509 WeakPolarHBondContact O-CB 3.13Å; L486-S509 PolarHBondContact O-N 3.08Å; L486-L512 HydrophobicContact CD2-CD1 4.15Å; L486-L512 HydrophobicContact CD2-CD2 4.46Å; L486-L512 HydrophobicContact CG-CD1 3.82Å
487	I	98.8	Very high	97.6	Very high	25 Å²	25	60.5 Å²	60.5	13%	0.128	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	-27.5	-177.7	58.8	157.5	0	0	0	113	V475 D477 T485 M513	V475-I487 HydrophobicContact CB-CD1 4.36Å; V475-I487 HydrophobicContact CB-CG1 3.99Å; V475-I487 HydrophobicContact CG1-CD1 3.78Å; V475-I487 HydrophobicContact CG1-CG1 3.87Å; V475-I487 VanDerWaalsContact O-CG1 3.26Å; V475-I487 WeakPolarHBondContact O-CG1 3.45Å; V475-I487 PolarHBondContact O-N 2.81Å; D477-I487 HydrophobicContact CB-CG2 4.27Å; T485-I487 HydrophobicContact CG2-CG2 4.19Å; T485-I487 PolarHBondContact O-N 2.88Å; I487-M513 PolarHBondContact O-N 3.45Å
488	E	98.6	Very high	97.6	Very high	9 Å²	9	57.9 Å²	57.9	4%	0.042	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	146.6	177.1	-61	175	-140	0	0	111.7	R308 A474 V475 L486 M513 M515 Q516	R308-E488 WeakPolarHBondContact CD-OE2 3.41Å; R308-E488 IonicContact CZ-OE1 2.86Å; R308-E488 VanDerWaalsContact CZ-OE1 3.28Å; R308-E488 IonicContact CZ-OE2 3.82Å; R308-E488 VanDerWaalsContact NE-CD 3.29Å; R308-E488 IonicContact NE-OE1 2.7Å; R308-E488 PolarHBondContact NE-OE1 3.15Å; R308-E488 VanDerWaalsContact NE-OE1 3.08Å; R308-E488 IonicContact NE-OE2 2.88Å; R308-E488 PolarHBondContact NE-OE2 2.99Å; R308-E488 IonicContact NH2-OE1 3.94Å; R308-E488 PolarHBondContact NH2-OE1 3.47Å; R308-E488 IonicContact NH2-OE2 3.19Å; A474-E488 WeakPolarHBondContact CA-O 3.42Å; V475-E488 HydrophobicContact CB-CB 3.85Å; V475-E488 HydrophobicContact CB-CG 4.3Å; V475-E488 HydrophobicContact CG2-CB 3.89Å; V475-E488 HydrophobicContact CG2-CG 4.4Å; V475-E488 PolarHBondContact N-O 3.37Å; V475-E488 PolarHBondContact O-N 2.99Å; L486-E488 VanDerWaalsContact CD1-O 3.3Å; L486-E488 WeakPolarHBondContact CD1-O 3.28Å; E488-M513 VanDerWaalsContact CA-O 3.29Å; E488-M513 WeakPolarHBondContact CA-O 3.33Å; E488-M513 HydrophobicContact CG-CG 3.93Å; E488-M515 HydrophobicContact CB-CB 4.27Å; E488-M515 WeakPolarHBondContact OE2-CA 3.39Å; E488-Q516 PolarHBondContact OE2-N 3.27Å
489	L	97.9	Very high	97.5	Very high	19 Å²	19	62.3 Å²	62.3	10%	0.099	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	132.1	-177.8	-176.4	63.9	0	0	0	110.6	L493 I498 L512 M513 P514 M515	L489-L493 HydrophobicContact CD1-CB 3.93Å; L489-L493 VanDerWaalsContact CD2-O 3.23Å; L489-L493 WeakPolarHBondContact CD2-O 3.42Å; L489-L493 HydrophobicContact CG-CB 4.23Å; L489-I498 HydrophobicContact CD1-CD1 3.65Å; L489-I498 HydrophobicContact CD1-CG1 3.31Å; L489-L512 HydrophobicContact CB-CD1 4.27Å; L489-M513 PolarHBondContact N-O 2.77Å; L489-M513 VanDerWaalsContact N-O 3.09Å; L489-P514 CarbonylContact O-C 3.6Å; L489-P514 WeakPolarHBondContact O-CA 3.46Å; L489-M515 PolarHBondContact O-N 3.09Å
490	W	97.3	Very high	97.4	Very high	54 Å²	54	65.8 Å²	65.8	21%	0.205	33%	0.334	C	S	.	.			trans	-62.7	142.2	177.4	179.9	-103.5	0	0	0	111.6	R304 K473 G492 L493 M515 Q517	R304-W490 VanDerWaalsContact CD-CZ2 3.44Å; R304-W490 HydrophobicContact CG-CE3 4.48Å; R304-W490 HydrophobicContact CG-CH2 3.88Å; R304-W490 HydrophobicContact CG-CZ2 4.26Å; R304-W490 HydrophobicContact CG-CZ3 4Å; R304-W490 VanDerWaalsContact NH1-NE1 3.11Å; K473-W490 WeakPolarHBondContact O-CB 3.41Å; K473-W490 PolarHBondContact O-N 3.03Å; W490-G492 PolarHBondContact O-N 2.77Å; W490-L493 HydrophobicContact CB-CD1 4.06Å; W490-L493 HydrophobicContact CB-CG 4.49Å; W490-L493 PolarHBondContact O-N 2.89Å; W490-L493 VanDerWaalsContact O-N 3.15Å; W490-M515 HydrophobicContact CB-CE 4.26Å; W490-M515 HydrophobicContact CE3-CB 4.24Å; W490-M515 HydrophobicContact CE3-SD 4.01Å; W490-Q517 HydrophobicContact CH2-CG 4.49Å; W490-Q517 HydrophobicContact CZ3-CG 3.85Å
491	E	93.6	Very high	97.4	Very high	158 Å²	158	62.1 Å²	62.1	74%	0.738	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	134.3	-178.1	-172.7	175	-176.2	0	0	111.7	L493	E491-L493 VanDerWaalsContact C-N 3.32Å
492	G	92.9	Very high	97.5	Very high	76 Å²	76	53.7 Å²	53.7	78%	0.784	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	-6.2	-178	0	0	0	0	0	115.3	W490	W490-G492 PolarHBondContact O-N 2.77Å
493	L	96.7	Very high	97.5	Very high	56 Å²	56	46.9 Å²	46.9	29%	0.293	26%	0.262	S	S	.	.			trans	-94.4	156.2	170.3	-60.9	-177.2	0	0	0	111.7	K473 L489 W490 E491 I498	K473-L493 HydrophobicContact CB-CD1 3.61Å; K473-L493 HydrophobicContact CD-CD1 4.18Å; K473-L493 HydrophobicContact CG-CD1 3.78Å; L489-L493 HydrophobicContact CD1-CB 3.93Å; L489-L493 VanDerWaalsContact CD2-O 3.23Å; L489-L493 WeakPolarHBondContact CD2-O 3.42Å; L489-L493 HydrophobicContact CG-CB 4.23Å; W490-L493 HydrophobicContact CB-CD1 4.06Å; W490-L493 HydrophobicContact CB-CG 4.49Å; W490-L493 PolarHBondContact O-N 2.89Å; W490-L493 VanDerWaalsContact O-N 3.15Å; E491-L493 VanDerWaalsContact C-N 3.32Å; L493-I498 HydrophobicContact CD1-CD1 4.2Å
494	T	97.9	Very high	97.5	Very high	72 Å²	72	47.5 Å²	47.5	44%	0.442	27%	0.266	S	S	.	.			trans	-111.7	165.4	173.2	70.1	0	0	0	0	111.3	D496 D497 I498	T494-D496 PolarHBondContact O-N 2.9Å; T494-D496 PolarHBondContact OG1-N 2.81Å; T494-D497 WeakPolarHBondContact CB-OD2 3.32Å; T494-D497 PolarHBondContact N-OD2 2.84Å; T494-D497 WeakPolarHBondContact O-CB 3.07Å; T494-D497 PolarHBondContact O-N 2.89Å; T494-D497 VanDerWaalsContact OG1-CG 3.28Å; T494-D497 PolarHBondContact OG1-N 2.97Å; T494-D497 PolarHBondContact OG1-OD2 3Å; T494-I498 PolarHBondContact O-N 3.33Å
495	V	98.1	Very high	97.5	Very high	41 Å²	41	53.5 Å²	53.5	25%	0.248	30%	0.298	C	S	.	.	H	α-helix	trans	-59.1	-36.1	173.6	175.5	0	0	0	0	111.4	L486 D497 I498 Q499 F506 V508 L512	L486-V495 HydrophobicContact CD2-CG2 4.24Å; V495-D497 VanDerWaalsContact C-N 3.33Å; V495-D497 PolarHBondContact O-N 2.96Å; V495-I498 PolarHBondContact O-N 2.96Å; V495-Q499 HydrophobicContact CG1-CG 4.36Å; V495-Q499 WeakPolarHBondContact O-CG 3.46Å; V495-Q499 PolarHBondContact O-N 3.28Å; V495-F506 HydrophobicContact CG1-CE2 4.16Å; V495-F506 HydrophobicContact CG1-CZ 4.42Å; V495-V508 HydrophobicContact CG1-CG2 3.85Å; V495-V508 HydrophobicContact CG2-CG2 4.41Å; V495-L512 HydrophobicContact CG2-CD2 4.12Å
496	D	97.9	Very high	97.5	Very high	75 Å²	75	52.8 Å²	52.8	40%	0.401	29%	0.292	S	S	.	.	H	α-helix	trans	-64.3	-36.5	178.5	-179.6	63.4	0	0	0	112	T494 I498 Q499 K500	T494-D496 PolarHBondContact O-N 2.9Å; T494-D496 PolarHBondContact OG1-N 2.81Å; D496-I498 VanDerWaalsContact C-N 3.29Å; D496-I498 PolarHBondContact O-N 2.99Å; D496-Q499 PolarHBondContact O-N 2.98Å; D496-K500 WeakPolarHBondContact O-CG 3.27Å; D496-K500 PolarHBondContact O-N 2.91Å; D496-K500 WeakPolarHBondContact OD2-CE 3.27Å; D496-K500 IonicContact OD2-NZ 3.41Å; D496-K500 PolarHBondContact OD2-NZ 2.95Å
497	D	97.3	Very high	97.5	Very high	61 Å²	61	55.3 Å²	55.3	33%	0.326	31%	0.313	S	S	.	.	H	α-helix	trans	-63.2	-37.6	174.4	-59.9	-53.3	0	0	0	111.9	T494 V495 S501	T494-D497 WeakPolarHBondContact CB-OD2 3.32Å; T494-D497 PolarHBondContact N-OD2 2.84Å; T494-D497 WeakPolarHBondContact O-CB 3.07Å; T494-D497 PolarHBondContact O-N 2.89Å; T494-D497 VanDerWaalsContact OG1-CG 3.28Å; T494-D497 PolarHBondContact OG1-N 2.97Å; T494-D497 PolarHBondContact OG1-OD2 3Å; V495-D497 VanDerWaalsContact C-N 3.33Å; V495-D497 PolarHBondContact O-N 2.96Å; D497-S501 PolarHBondContact O-N 3.3Å; D497-S501 PolarHBondContact O-OG 2.82Å
498	I	98.1	Very high	97.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-71.5	-42.4	176.4	-56.2	-51.2	0	0	0	110.9	K473 A474 F476 L489 L493 T494 V495 D496 K500 S501 T502 F506	K473-I498 HydrophobicContact CB-CD1 3.68Å; K473-I498 HydrophobicContact CD-CD1 4.4Å; A474-I498 HydrophobicContact CB-CD1 4.06Å; A474-I498 HydrophobicContact CB-CG1 4.41Å; A474-I498 HydrophobicContact CB-CG2 4.33Å; F476-I498 HydrophobicContact CE1-CG2 4.24Å; F476-I498 HydrophobicContact CE2-CG2 4.4Å; F476-I498 HydrophobicContact CZ-CG2 3.5Å; F476-I498 VanDerWaalsContact CZ-CG2 3.5Å; L489-I498 HydrophobicContact CD1-CD1 3.65Å; L489-I498 HydrophobicContact CD1-CG1 3.31Å; L493-I498 HydrophobicContact CD1-CD1 4.2Å; T494-I498 PolarHBondContact O-N 3.33Å; V495-I498 PolarHBondContact O-N 2.96Å; D496-I498 VanDerWaalsContact C-N 3.29Å; D496-I498 PolarHBondContact O-N 2.99Å; I498-K500 VanDerWaalsContact C-N 3.31Å; I498-K500 PolarHBondContact O-N 2.69Å; I498-S501 CarbonylContact O-C 3.49Å; I498-S501 PolarHBondContact O-N 2.89Å; I498-S501 VanDerWaalsContact O-N 3.08Å; I498-S501 PolarHBondContact O-OG 2.86Å; I498-T502 VanDerWaalsContact O-CB 3.28Å; I498-T502 WeakPolarHBondContact O-CB 3.25Å; I498-T502 PolarHBondContact O-N 3.5Å; I498-T502 PolarHBondContact O-OG1 2.83Å; I498-F506 HydrophobicContact CB-CE1 4.48Å; I498-F506 HydrophobicContact CB-CZ 3.91Å; I498-F506 HydrophobicContact CG2-CE1 3.8Å; I498-F506 HydrophobicContact CG2-CE2 4.36Å; I498-F506 HydrophobicContact CG2-CZ 3.55Å
499	Q	97.6	Very high	97.4	Very high	106 Å²	106	58 Å²	58	50%	0.495	33%	0.332	S	S	.	.	H	α-helix	trans	-57.7	-43.4	174.6	-73	176.8	-31.2	0	0	111.6	V495 D496 S501 F506	V495-Q499 HydrophobicContact CG1-CG 4.36Å; V495-Q499 WeakPolarHBondContact O-CG 3.46Å; V495-Q499 PolarHBondContact O-N 3.28Å; D496-Q499 PolarHBondContact O-N 2.98Å; Q499-S501 PolarHBondContact O-N 2.96Å; Q499-F506 HydrophobicContact CB-CE1 4.47Å; Q499-F506 HydrophobicContact CB-CZ 4.41Å; Q499-F506 HydrophobicContact CG-CE1 3.83Å; Q499-F506 HydrophobicContact CG-CE2 4.36Å; Q499-F506 HydrophobicContact CG-CZ 3.5Å
500	K	96.9	Very high	97.4	Very high	140 Å²	140	63.7 Å²	63.7	61%	0.609	37%	0.37	S	S	*	.	H	α-helix	trans	-66.4	-23.2	176.9	-73.9	167.4	177.7	163.5	0	114.1	H450 D496 I498	H450-K500 PolarHBondContact CE1-O 3.24Å; D496-K500 WeakPolarHBondContact O-CG 3.27Å; D496-K500 PolarHBondContact O-N 2.91Å; D496-K500 WeakPolarHBondContact OD2-CE 3.27Å; D496-K500 IonicContact OD2-NZ 3.41Å; D496-K500 PolarHBondContact OD2-NZ 2.95Å; I498-K500 VanDerWaalsContact C-N 3.31Å; I498-K500 PolarHBondContact O-N 2.69Å
501	S	97.1	Very high	97.4	Very high	11 Å²	11	69.7 Å²	69.7	8%	0.077	40%	0.398	C	S	.	.	H	α-helix	trans	-107.3	-3.9	-176.9	53.9	0	0	0	0	114.5	H443 H450 D497 I498 Q499	H443-S501 PolarHBondContact NE2-OG 3.17Å; H450-S501 VanDerWaalsContact ND1-C 3.32Å; H450-S501 PolarHBondContact ND1-O 3.19Å; D497-S501 PolarHBondContact O-N 3.3Å; D497-S501 PolarHBondContact O-OG 2.82Å; I498-S501 CarbonylContact O-C 3.49Å; I498-S501 PolarHBondContact O-N 2.89Å; I498-S501 VanDerWaalsContact O-N 3.08Å; I498-S501 PolarHBondContact O-OG 2.86Å; Q499-S501 PolarHBondContact O-N 2.96Å
502	T	98.4	Very high	97.7	Very high	8 Å²	8	65 Å²	65	5%	0.049	38%	0.377	C	S	.	.			trans	-108.3	127.1	176	-56.1	0	0	0	0	110.5	H443 I452 I498 C504 F506	H443-T502 PolarHBondContact NE2-OG1 3.06Å; H443-T502 VanDerWaalsContact NE2-OG1 3.07Å; I452-T502 HydrophobicContact CB-CG2 4.08Å; I452-T502 HydrophobicContact CG2-CG2 3.78Å; I498-T502 VanDerWaalsContact O-CB 3.28Å; I498-T502 WeakPolarHBondContact O-CB 3.25Å; I498-T502 PolarHBondContact O-N 3.5Å; I498-T502 PolarHBondContact O-OG1 2.83Å; T502-C504 WeakPolarHBondContact CG2-O 3.17Å; T502-C504 PolarHBondContact O-N 2.88Å; T502-C504 VanDerWaalsContact O-N 3.16Å; T502-F506 HydrophobicContact CG2-CD1 4.04Å; T502-F506 HydrophobicContact CG2-CE1 4.31Å
503	G	97.9	Very high	97.9	Very high	28 Å²	28	65.1 Å²	65.1	29%	0.289	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-83.9	25.3	-176.2	0	0	0	0	0	115.2	I452 E454	I452-G503 WeakPolarHBondContact O-CA 3.28Å; I452-G503 PolarHBondContact O-N 2.96Å; E454-G503 PolarHBondContact N-O 2.79Å
504	C	98.1	Very high	97.9	Very high	14 Å²	14	67.1 Å²	67.1	10%	0.095	37%	0.374	C	S	.	.	S	Bend	trans	-162.4	161.8	177	54.7	0	0	0	0	111.4	K406 E454 T502	K406-C504 HydrophobicContact CB-CB 4.27Å; K406-C504 HydrophobicContact CD-CB 4.36Å; E454-C504 HydrophobicContact CB-CB 4.14Å; E454-C504 WeakPolarHBondContact OE2-CB 3.33Å; T502-C504 WeakPolarHBondContact CG2-O 3.17Å; T502-C504 PolarHBondContact O-N 2.88Å; T502-C504 VanDerWaalsContact O-N 3.16Å
505	D	98.1	Very high	97.9	Very high	129 Å²	129	64.3 Å²	64.3	69%	0.69	36%	0.356	S	S	*	.			trans	-69.2	147.4	175.1	-60.2	-36.5	0	0	0	112.2
506	F	98.8	Very high	97.8	Very high	26 Å²	26	66.2 Å²	66.2	11%	0.114	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	150.2	173.3	56.4	-96	0	0	0	110.8	F476 L484 L486 V495 I498 Q499 T502 V508	F476-F506 HydrophobicContact CD1-CB 4.38Å; F476-F506 HydrophobicContact CD1-CG 4.48Å; F476-F506 HydrophobicContact CE1-CB 4.06Å; F476-F506 AromaticContact CE1-CD1 3.94Å; F476-F506 HydrophobicContact CE1-CD1 3.94Å; F476-F506 AromaticContact CE1-CD2 3.97Å; F476-F506 HydrophobicContact CE1-CD2 3.97Å; F476-F506 HydrophobicContact CE1-CE1 4.34Å; F476-F506 HydrophobicContact CE1-CE2 4.38Å; F476-F506 AromaticContact CE1-CG 3.73Å; F476-F506 HydrophobicContact CE1-CG 3.73Å; F476-F506 HydrophobicContact CZ-CD1 4.45Å; L484-F506 HydrophobicContact CB-CB 3.66Å; L484-F506 WeakPolarHBondContact O-CA 3.04Å; L486-F506 HydrophobicContact CB-CD2 3.8Å; L486-F506 HydrophobicContact CB-CE2 3.97Å; L486-F506 HydrophobicContact CD2-CE2 3.86Å; L486-F506 HydrophobicContact CG-CE2 4.49Å; V495-F506 HydrophobicContact CG1-CE2 4.16Å; V495-F506 HydrophobicContact CG1-CZ 4.42Å; I498-F506 HydrophobicContact CB-CE1 4.48Å; I498-F506 HydrophobicContact CB-CZ 3.91Å; I498-F506 HydrophobicContact CG2-CE1 3.8Å; I498-F506 HydrophobicContact CG2-CE2 4.36Å; I498-F506 HydrophobicContact CG2-CZ 3.55Å; Q499-F506 HydrophobicContact CB-CE1 4.47Å; Q499-F506 HydrophobicContact CB-CZ 4.41Å; Q499-F506 HydrophobicContact CG-CE1 3.83Å; Q499-F506 HydrophobicContact CG-CE2 4.36Å; Q499-F506 HydrophobicContact CG-CZ 3.5Å; T502-F506 HydrophobicContact CG2-CD1 4.04Å; T502-F506 HydrophobicContact CG2-CE1 4.31Å; F506-V508 HydrophobicContact CD2-CG2 4.39Å; F506-V508 HydrophobicContact CE2-CG2 4.17Å
507	A	98.7	Very high	97.7	Very high	54 Å²	54	65.5 Å²	65.5	45%	0.446	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	154.2	169.4	0	0	0	0	0	110.2	L484 T485 L486	L484-A507 PolarHBondContact O-N 3.36Å; T485-A507 CarbonylContact C-O 3.43Å; T485-A507 WeakPolarHBondContact CA-O 3.23Å; T485-A507 HydrophobicContact CG2-CB 4.43Å; L486-A507 PolarHBondContact N-O 3.34Å
508	V	98.7	Very high	97.4	Very high	65 Å²	65	64.4 Å²	64.4	39%	0.394	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.9	171.3	-178.1	0	0	0	0	108.6	V495 F506 L512	V495-V508 HydrophobicContact CG1-CG2 3.85Å; V495-V508 HydrophobicContact CG2-CG2 4.41Å; F506-V508 HydrophobicContact CD2-CG2 4.39Å; F506-V508 HydrophobicContact CE2-CG2 4.17Å; V508-L512 HydrophobicContact CG1-CB 4.18Å; V508-L512 HydrophobicContact CG1-CD2 3.83Å; V508-L512 HydrophobicContact CG1-CG 4.46Å
509	S	98.4	Very high	96.5	Very high	25 Å²	25	68.7 Å²	68.7	18%	0.175	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	133.3	176.2	179.4	0	0	0	0	110.5	L486 K511 L512	L486-S509 VanDerWaalsContact O-CB 3.24Å; L486-S509 WeakPolarHBondContact O-CB 3.13Å; L486-S509 PolarHBondContact O-N 3.08Å; S509-K511 PolarHBondContact O-N 2.82Å; S509-K511 PolarHBondContact OG-N 3.05Å; S509-K511 VanDerWaalsContact OG-N 3.12Å; S509-L512 WeakPolarHBondContact O-CB 3.44Å; S509-L512 PolarHBondContact O-N 3.45Å
510	P	97.8	Very high	94.6	Very high	139 Å²	139	72 Å²	72	90%	0.903	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.1	-16	168.6	-23.1	33.7	0	0	0	113.3
511	K	97.4	Very high	94.4	Very high	180 Å²	180	68.7 Å²	68.7	78%	0.783	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.8	28.1	175.6	-57.2	-178.8	-178.6	179.6	0	111.4	S509 M513	S509-K511 PolarHBondContact O-N 2.82Å; S509-K511 PolarHBondContact OG-N 3.05Å; S509-K511 VanDerWaalsContact OG-N 3.12Å; K511-M513 PolarHBondContact O-N 2.9Å
512	L	98.1	Very high	94.3	Very high	59 Å²	59	71.7 Å²	71.7	31%	0.309	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	130	174.6	179.1	67.1	0	0	0	109	L486 L489 V495 V508 S509	L486-L512 HydrophobicContact CD2-CD1 4.15Å; L486-L512 HydrophobicContact CD2-CD2 4.46Å; L486-L512 HydrophobicContact CG-CD1 3.82Å; L489-L512 HydrophobicContact CB-CD1 4.27Å; V495-L512 HydrophobicContact CG2-CD2 4.12Å; V508-L512 HydrophobicContact CG1-CB 4.18Å; V508-L512 HydrophobicContact CG1-CD2 3.83Å; V508-L512 HydrophobicContact CG1-CG 4.46Å; S509-L512 WeakPolarHBondContact O-CB 3.44Å; S509-L512 PolarHBondContact O-N 3.45Å
513	M	97.3	Very high	94.1	Very high	79 Å²	79	75.2 Å²	75.2	39%	0.389	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	162.4	-179	63.2	-172.7	-65.2	0	0	111.5	I487 E488 L489 K511 Q516	I487-M513 PolarHBondContact O-N 3.45Å; E488-M513 VanDerWaalsContact CA-O 3.29Å; E488-M513 WeakPolarHBondContact CA-O 3.33Å; E488-M513 HydrophobicContact CG-CG 3.93Å; L489-M513 PolarHBondContact N-O 2.77Å; L489-M513 VanDerWaalsContact N-O 3.09Å; K511-M513 PolarHBondContact O-N 2.9Å; M513-Q516 HydrophobicContact CE-CG 3.93Å; M513-Q516 VanDerWaalsContact CE-NE2 3.26Å
514	P	97.6	Very high	93.8	Very high	97 Å²	97	78 Å²	78	63%	0.63	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56	142.2	168.3	-23.9	34.9	0	0	0	110.8	L489 Q516	L489-P514 CarbonylContact O-C 3.6Å; L489-P514 WeakPolarHBondContact O-CA 3.46Å; P514-Q516 PolarHBondContact O-N 3.16Å
515	M	97.7	Very high	93.6	Very high	13 Å²	13	82 Å²	82	6%	0.064	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-59.7	124.9	178.9	-175.2	-173.8	-67.7	0	0	110.8	R308 T471 V475 E488 L489 W490	R308-M515 HydrophobicContact CB-CG 4.47Å; R308-M515 HydrophobicContact CB-SD 4.33Å; R308-M515 HydrophobicContact CG-CG 4.09Å; R308-M515 HydrophobicContact CG-SD 4.32Å; T471-M515 WeakPolarHBondContact O-CE 3.21Å; V475-M515 HydrophobicContact CG2-CE 4.17Å; V475-M515 HydrophobicContact CG2-CG 4.33Å; E488-M515 HydrophobicContact CB-CB 4.27Å; E488-M515 WeakPolarHBondContact OE2-CA 3.39Å; L489-M515 PolarHBondContact O-N 3.09Å; W490-M515 HydrophobicContact CB-CE 4.26Å; W490-M515 HydrophobicContact CE3-CB 4.24Å; W490-M515 HydrophobicContact CE3-SD 4.01Å
516	Q	96.6	Very high	93.3	Very high	81 Å²	81	78.9 Å²	78.9	38%	0.379	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-72.5	151.4	-179.1	-61.5	-176	-27.3	0	0	110.8	R308 L311 E488 M513 P514	R308-Q516 WeakPolarHBondContact CD-O 3.28Å; L311-Q516 HydrophobicContact CD1-CB 3.35Å; E488-Q516 PolarHBondContact OE2-N 3.27Å; M513-Q516 HydrophobicContact CE-CG 3.93Å; M513-Q516 VanDerWaalsContact CE-NE2 3.26Å; P514-Q516 PolarHBondContact O-N 3.16Å
517	Q	94.9	Very high	92.9	Very high	60 Å²	60	82.6 Å²	82.6	28%	0.28	47%	0.474	S	S	.	.			trans	-137.6	136.2	174.6	-65.2	-68.9	-59.3	0	0	107.6	R304 W490 A519	R304-Q517 PolarHBondContact O-NE2 3.38Å; R304-Q517 VanDerWaalsContact O-NE2 3.13Å; R304-Q517 PolarHBondContact O-OE1 2.75Å; W490-Q517 HydrophobicContact CH2-CG 4.49Å; W490-Q517 HydrophobicContact CZ3-CG 3.85Å; Q517-A519 PolarHBondContact O-N 2.99Å
518	I	90.8	Very high	92.4	Very high	39 Å²	39	84.8 Å²	84.8	20%	0.2	48%	0.476	C	S	.	.			trans	-65.6	133.7	169.7	-159.8	155.3	0	0	0	109	K307 A310 L311 F332	K307-I518 HydrophobicContact CB-CG2 3.99Å; K307-I518 HydrophobicContact CG-CG2 3.96Å; A310-I518 HydrophobicContact CB-CD1 4.3Å; A310-I518 HydrophobicContact CB-CG2 4.4Å; L311-I518 HydrophobicContact CD2-CB 4.14Å; L311-I518 HydrophobicContact CD2-CD1 4.32Å; L311-I518 HydrophobicContact CD2-CG1 4.34Å; F332-I518 HydrophobicContact CB-CD1 4.36Å; F332-I518 HydrophobicContact CB-CG2 4.01Å; F332-I518 HydrophobicContact CD1-CG2 3.85Å; F332-I518 HydrophobicContact CG-CG2 4.15Å; F332-I518 WeakPolarHBondContact O-CD1 3.17Å
519	A	79.4	Confident	91.9	Very high	89 Å²	89	86.5 Å²	86.5	74%	0.736	48%	0.483	S	S	*	.			trans	-69.7	145.3	173.7	0	0	0	0	0	109.3	Q517	Q517-A519 PolarHBondContact O-N 2.99Å
520	N	57	Low	91.3	Very high	177 Å²	177	92.1 Å²	92.1	95%	0.947	51%	0.511	S	S	*	.			trans	-65.7	0	173.6	-72.7	-7.2	0	0	0	111.6	K307	K307-N520 VanDerWaalsContact CE-OD1 3.27Å; K307-N520 WeakPolarHBondContact CE-OD1 3.46Å; K307-N520 PolarHBondContact NZ-OD1 3.28Å

Retrieved 520 of 520 residues in 99.2 ms (Link to these results)

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