A0A024R040_HUMAN 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 (P55809), UniProt , Accession A0A024R040, Species HUMAN (Homo sapiens, Human), Gene OXCT1, 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	44.4	Very low	40	Very low	243 Å²	243	144.7 Å²	144.7	100%	1.197	86%	0.859	S	S	*	*				0	130.1	0	-72.1	-164.1	-151.8	0	0	107.5
2	A	42.1	Very low	39.6	Very low	110 Å²	110	151.7 Å²	151.7	91%	0.909	86%	0.859	S	S	*	*			trans	62.8	129.1	-173.8	0	0	0	0	0	115
3	A	41.8	Very low	39.5	Very low	92 Å²	92	151.2 Å²	151.2	76%	0.76	85%	0.851	S	S	*	*			cis	-154.7	145.3	9.1	0	0	0	0	0	111.7
4	L	40.2	Very low	39.2	Very low	169 Å²	169	148.5 Å²	148.5	89%	0.885	85%	0.845	S	S	*	*			trans	38	116.4	139.7	-116.3	64.7	0	0	0	119.1
5	K	38.3	Very low	39.3	Very low	185 Å²	185	145.3 Å²	145.3	80%	0.804	85%	0.845	S	S	*	*			cis	72.2	119.9	36.2	-112.5	-170.2	-169.6	-174.7	0	117.7
6	L	37.8	Very low	39.1	Very low	141 Å²	141	143.9 Å²	143.9	74%	0.738	85%	0.845	S	S	*	*			trans	90.1	123.7	148.9	-71.6	143.8	0	0	0	120
7	L	42.7	Very low	39.4	Very low	173 Å²	173	141.4 Å²	141.4	91%	0.906	85%	0.845	S	S	*	*				-170.2	107.4	112.5	-93.6	157.7	0	0	0	111.2
8	S	34	Very low	39.3	Very low	107 Å²	107	148.1 Å²	148.1	75%	0.748	85%	0.853	S	S	*	*			trans	-147.6	105.2	164.1	62.7	0	0	0	0	109.6
9	S	39.6	Very low	39.4	Very low	117 Å²	117	144.3 Å²	144.3	82%	0.818	85%	0.849	S	S	*	*			trans	166.7	134.2	163.1	54.7	0	0	0	0	105.6
10	G	38.3	Very low	39.4	Very low	68 Å²	68	143.8 Å²	143.8	70%	0.701	85%	0.853	S	S	*	*			cis	150	136.1	17.5	0	0	0	0	0	104.6
11	L	40.5	Very low	39.4	Very low	187 Å²	187	140.3 Å²	140.3	98%	0.979	85%	0.847	S	S	*	*			trans	-144.5	120.2	162.8	-109.9	114.5	0	0	0	109.6
12	R	35.1	Very low	39.2	Very low	228 Å²	228	133.1 Å²	133.1	86%	0.86	83%	0.827	S	S	*	*			trans	-105.3	161.4	171.2	-96.7	-171.9	-175.7	-153.1	2.4	108.6
13	L	39	Very low	39.4	Very low	145 Å²	145	133.5 Å²	133.5	76%	0.759	82%	0.818	S	S	*	*			trans	101	117.1	153.8	-93.5	92.7	0	0	0	120.1
14	C	35.4	Very low	39.1	Very low	114 Å²	114	140.1 Å²	140.1	77%	0.77	82%	0.823	S	S	*	*			trans	66.5	117.6	133.5	-67.3	0	0	0	0	120.4
15	A	40.7	Very low	39.2	Very low	101 Å²	101	143.4 Å²	143.4	84%	0.835	83%	0.826	S	S	*	*				172.6	144.9	84.7	0	0	0	0	0	110.7
16	S	36.6	Very low	39.6	Very low	122 Å²	122	144.6 Å²	144.6	85%	0.853	83%	0.831	S	S	*	*			trans	-69	132.1	176.6	54.6	0	0	0	0	112.7
17	A	43.1	Very low	39.8	Very low	101 Å²	101	141 Å²	141	84%	0.835	83%	0.828	S	S	*	*			trans	-142.4	121.6	155.5	0	0	0	0	0	109.4
18	R	37.7	Very low	39.9	Very low	263 Å²	263	138.4 Å²	138.4	99%	0.992	82%	0.823	S	S	*	*			trans	-65	126.8	171	-75	175.1	171.1	-164.4	-3	108.7
19	G	41.4	Very low	40.7	Very low	75 Å²	75	139.4 Å²	139.4	77%	0.773	82%	0.824	S	S	*	*			trans	-151.8	100	171.1	0	0	0	0	0	109.5	G21	G19-G21 PolarHBondContact O-N 3.34Å
20	S	39	Very low	41.2	Very low	134 Å²	134	138.2 Å²	138.2	94%	0.937	82%	0.815	S	S	*	*			trans	-63.7	120.7	169.2	47.4	0	0	0	0	110.1
21	G	40.8	Very low	42	Very low	71 Å²	71	139.3 Å²	139.3	73%	0.732	81%	0.812	S	S	*	*			trans	-170.7	92.2	176.2	0	0	0	0	0	109.8	G19 T23	G19-G21 PolarHBondContact O-N 3.34Å; G21-T23 PolarHBondContact O-N 3.47Å
22	A	39.3	Very low	43	Very low	93 Å²	93	139.4 Å²	139.4	77%	0.769	81%	0.805	S	S	*	*			trans	-53.8	132.8	166.6	0	0	0	0	0	109.5
23	T	45.4	Very low	44.2	Very low	118 Å²	118	133.8 Å²	133.8	72%	0.724	80%	0.8	S	S	*	*				170.3	117.8	127.1	34.2	0	0	0	0	112.9	G21	G21-T23 PolarHBondContact O-N 3.47Å
24	W	37	Very low	45	Very low	230 Å²	230	133.1 Å²	133.1	87%	0.871	80%	0.802	S	S	*	*			trans	51.8	82.2	142.2	-59.1	75.9	0	0	0	120.1
25	Y	42.7	Very low	46.2	Very low	238 Å²	238	131.6 Å²	131.6	93%	0.933	79%	0.793	S	S	*	*			trans	-138.8	70.5	143.5	-91.1	-86.6	0	0	0	108.8
26	K	45.1	Very low	47.1	Very low	211 Å²	211	131 Å²	131	92%	0.917	79%	0.788	S	S	*	*			trans	-85.2	114	164	-93.9	-174.3	175.9	-178.8	0	107.5	C28	K26-C28 PolarHBondContact O-N 3.14Å
27	G	43.2	Very low	48.3	Very low	66 Å²	66	133.2 Å²	133.2	68%	0.68	79%	0.785	S	S	*	*			trans	-50.4	129.7	-173.4	0	0	0	0	0	113.1	V29	G27-V29 PolarHBondContact O-N 3.5Å
28	C	44.6	Very low	49.6	Very low	118 Å²	118	134.4 Å²	134.4	80%	0.797	77%	0.768	S	S	*	*			trans	-62.8	89.2	155.5	-160.3	0	0	0	0	106.3	K26 C30	K26-C28 PolarHBondContact O-N 3.14Å; C28-C30 VanDerWaalsContact C-N 3.3Å; C28-C30 PolarHBondContact O-N 3.08Å
29	V	50.7	Low	51.7	Low	127 Å²	127	127.4 Å²	127.4	77%	0.77	75%	0.746	S	S	*	*			trans	-66.6	103.1	161.1	-178.6	0	0	0	0	103.8	G27 S31	G27-V29 PolarHBondContact O-N 3.5Å; V29-S31 PolarHBondContact O-N 2.73Å
30	C	49.4	Very low	54.4	Low	92 Å²	92	124.3 Å²	124.3	62%	0.622	71%	0.712	S	S	*	*			trans	-60.1	83.9	172.7	-67	0	0	0	0	108.4	C28 F32	C28-C30 VanDerWaalsContact C-N 3.3Å; C28-C30 PolarHBondContact O-N 3.08Å; C30-F32 HydrophobicContact CB-CE2 4.35Å; C30-F32 PolarHBondContact O-N 2.69Å
31	S	55.9	Low	57.2	Low	92 Å²	92	123.8 Å²	123.8	64%	0.643	69%	0.693	S	S	*	*			trans	-72.8	96.5	172.5	-158.2	0	0	0	0	106.7	V29	V29-S31 PolarHBondContact O-N 2.73Å
32	F	60.7	Low	59.9	Low	188 Å²	188	124.4 Å²	124.4	83%	0.825	68%	0.676	S	S	*	*			trans	-61	138	164.6	-69.9	-84.2	0	0	0	108.5	C30	C30-F32 HydrophobicContact CB-CE2 4.35Å; C30-F32 PolarHBondContact O-N 2.69Å
33	S	60.1	Low	62.7	Low	110 Å²	110	121.8 Å²	121.8	77%	0.769	65%	0.646	S	S	*	*			trans	6.6	123.5	-178.2	-166.9	0	0	0	0	118.9
34	T	56.8	Low	65.2	Low	131 Å²	131	122.6 Å²	122.6	80%	0.804	65%	0.651	S	S	*	*			trans	-95.4	10	-178.6	50.9	0	0	0	0	114.8
35	S	60.1	Low	68.1	Low	82 Å²	82	114.6 Å²	114.6	57%	0.573	63%	0.625	S	S	*	*			trans	-89.7	117.8	-176.3	-174.3	0	0	0	0	112.2	H37	S35-H37 WeakPolarHBondContact OG-CB 3.36Å; S35-H37 PolarHBondContact OG-N 2.81Å; S35-H37 VanDerWaalsContact OG-N 3.13Å
36	A	60	Low	70.7	Confident	88 Å²	88	103.6 Å²	103.6	73%	0.727	58%	0.583	S	S	*	*			trans	-88.9	13.2	164.2	0	0	0	0	0	112.2	R38	A36-R38 PolarHBondContact O-N 3.38Å; A36-R38 VanDerWaalsContact O-N 3.14Å
37	H	61	Low	73.3	Confident	169 Å²	169	95.1 Å²	95.1	78%	0.782	55%	0.549	S	S	*	.			trans	-67.1	115	-175.6	-147.4	-53.1	0	0	0	109.6	S35	S35-H37 WeakPolarHBondContact OG-CB 3.36Å; S35-H37 PolarHBondContact OG-N 2.81Å; S35-H37 VanDerWaalsContact OG-N 3.13Å
38	R	70.9	Confident	75.9	Confident	126 Å²	126	95.9 Å²	95.9	48%	0.475	54%	0.535	S	S	.	.			trans	-88.7	138.3	-179.7	-61.6	171.3	-169.5	176.1	10.2	108.7	A36 R217	A36-R38 PolarHBondContact O-N 3.38Å; A36-R38 VanDerWaalsContact O-N 3.14Å; R38-R217 PolarHBondContact NH1-O 3.11Å
39	H	82.3	Confident	78.5	Confident	116 Å²	116	90.2 Å²	90.2	54%	0.537	50%	0.497	S	S	.	.			trans	-87.3	-28.3	179.3	-169	-96.4	0	0	0	111.5	K41 H267	H39-K41 PolarHBondContact O-N 3.47Å; H39-H267 AromaticContact CE1-CD2 3.41Å; H39-H267 PolarHBondContact CE1-CD2 2.99Å; H39-H267 VanDerWaalsContact CE1-CD2 3.41Å; H39-H267 AromaticContact ND1-CD2 3.52Å
40	T	97.1	Very high	80.7	Confident	11 Å²	11	84.2 Å²	84.2	7%	0.067	46%	0.46	C	S	.	.	P	Polyproline II helix	trans	-71.4	119.6	-177.3	-51.9	0	0	0	0	112.9	F42 Q263 V266 L269	T40-F42 HydrophobicContact CG2-CE2 4.19Å; T40-Q263 PolarHBondContact OG1-O 3.1Å; T40-V266 VanDerWaalsContact CA-O 3.29Å; T40-V266 WeakPolarHBondContact CA-O 3.1Å; T40-V266 VanDerWaalsContact CB-O 3.29Å; T40-V266 WeakPolarHBondContact CB-O 3.2Å; T40-V266 HydrophobicContact CG2-CB 4.42Å; T40-V266 HydrophobicContact CG2-CG1 3.78Å; T40-V266 PolarHBondContact OG1-O 3.2Å; T40-L269 HydrophobicContact CG2-CB 3.47Å; T40-L269 VanDerWaalsContact CG2-CB 3.47Å; T40-L269 HydrophobicContact CG2-CD2 4.13Å; T40-L269 HydrophobicContact CG2-CG 4.45Å
41	K	97.6	Very high	83.1	Confident	123 Å²	123	85.6 Å²	85.6	54%	0.535	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	124.7	171.5	-174.8	177.2	171.8	-167.6	0	110.5	H39 Y43 H267 R268 L269	H39-K41 PolarHBondContact O-N 3.47Å; K41-Y43 HydrophobicContact CB-CE2 3.95Å; K41-Y43 HydrophobicContact CD-CE2 3.65Å; K41-Y43 WeakPolarHBondContact CD-OH 3.39Å; K41-Y43 WeakPolarHBondContact CE-OH 3.37Å; K41-Y43 HydrophobicContact CG-CD2 4.23Å; K41-Y43 HydrophobicContact CG-CE2 3.59Å; K41-Y43 PolarHBondContact NZ-OH 3.49Å; K41-Y43 VanDerWaalsContact NZ-OH 3.09Å; K41-Y43 WeakPolarHBondContact O-CD2 3.29Å; K41-H267 PolarHBondContact N-O 2.69Å; K41-R268 WeakPolarHBondContact O-CA 3.2Å; K41-L269 PolarHBondContact O-N 2.85Å
42	F	97.9	Very high	85.1	Confident	83 Å²	83	84.9 Å²	84.9	36%	0.364	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	137.3	177.8	-71.8	-103.1	0	0	0	111.1	T40 I248 L269	T40-F42 HydrophobicContact CG2-CE2 4.19Å; F42-I248 HydrophobicContact CD1-CD1 4.06Å; F42-I248 HydrophobicContact CE1-CD1 4.1Å; F42-I248 HydrophobicContact CE1-CG2 4.26Å; F42-L269 CarbonylContact C-O 3.52Å; F42-L269 WeakPolarHBondContact CA-O 3.43Å; F42-L269 HydrophobicContact CD1-CB 4.47Å; F42-L269 HydrophobicContact CD1-CD2 3.97Å; F42-L269 HydrophobicContact CD1-CG 4.37Å; F42-L269 HydrophobicContact CE1-CD2 3.29Å; F42-L269 HydrophobicContact CE1-CG 4.14Å; F42-L269 HydrophobicContact CE2-CD2 4.47Å; F42-L269 HydrophobicContact CZ-CD2 3.58Å
43	Y	98.4	Very high	86.9	Confident	38 Å²	38	76.4 Å²	76.4	15%	0.149	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	153.1	178.3	-73.5	-105	0	0	0	110.5	K41 E48 A49 R268 L269 I270	K41-Y43 HydrophobicContact CB-CE2 3.95Å; K41-Y43 HydrophobicContact CD-CE2 3.65Å; K41-Y43 WeakPolarHBondContact CD-OH 3.39Å; K41-Y43 WeakPolarHBondContact CE-OH 3.37Å; K41-Y43 HydrophobicContact CG-CD2 4.23Å; K41-Y43 HydrophobicContact CG-CE2 3.59Å; K41-Y43 PolarHBondContact NZ-OH 3.49Å; K41-Y43 VanDerWaalsContact NZ-OH 3.09Å; K41-Y43 WeakPolarHBondContact O-CD2 3.29Å; Y43-E48 HydrophobicContact CD1-CB 4.02Å; Y43-E48 HydrophobicContact CE1-CB 4.35Å; Y43-E48 VanDerWaalsContact CE1-O 3.31Å; Y43-E48 WeakPolarHBondContact CE1-O 3.28Å; Y43-A49 HydrophobicContact CD1-CB 3.92Å; Y43-A49 HydrophobicContact CD2-CB 4.35Å; Y43-A49 HydrophobicContact CE1-CB 4.41Å; Y43-A49 HydrophobicContact CG-CB 3.88Å; Y43-R268 HydrophobicContact CD2-CB 4.06Å; Y43-R268 HydrophobicContact CD2-CG 4.48Å; Y43-R268 HydrophobicContact CE2-CB 3.81Å; Y43-R268 HydrophobicContact CE2-CG 3.74Å; Y43-L269 PolarHBondContact N-O 3.27Å; Y43-I270 WeakPolarHBondContact O-CG1 3.18Å
44	T	97.6	Very high	88.7	Confident	136 Å²	136	74.6 Å²	74.6	83%	0.834	39%	0.394	S	S	*	.	S	Bend	trans	-109.1	-18.9	175.2	54.2	0	0	0	0	113.1
45	D	98.1	Very high	90.7	Very high	61 Å²	61	73.8 Å²	73.8	33%	0.326	39%	0.385	S	S	.	.			trans	-120.6	122.8	178.7	178	-3.7	0	0	0	109.4	V47 E48 A49	D45-V47 VanDerWaalsContact C-N 3.26Å; D45-V47 PolarHBondContact O-N 3.19Å; D45-V47 WeakPolarHBondContact OD1-CB 3.43Å; D45-V47 PolarHBondContact OD1-N 2.85Å; D45-E48 HydrophobicContact CB-CB 4.13Å; D45-E48 HydrophobicContact CB-CG 4.06Å; D45-E48 PolarHBondContact O-N 3.05Å; D45-A49 PolarHBondContact O-N 2.8Å
46	P	97.9	Very high	92.6	Very high	7 Å²	7	72.1 Å²	72.1	5%	0.045	38%	0.38	C	S	.	.	H	α-helix	trans	-56.4	-35.7	176	-26.8	35.9	0	0	0	113.9	A49 V50 N72 L73 A76 I270	P46-A49 WeakPolarHBondContact O-CB 3.12Å; P46-A49 PolarHBondContact O-N 2.95Å; P46-V50 WeakPolarHBondContact O-CG2 3.45Å; P46-V50 PolarHBondContact O-N 3.05Å; P46-N72 HydrophobicContact CG-CB 4.26Å; P46-L73 HydrophobicContact CB-CD2 4.47Å; P46-A76 HydrophobicContact CB-CB 3.71Å; P46-I270 HydrophobicContact CB-CD1 4.15Å; P46-I270 VanDerWaalsContact CD-CD1 3.46Å; P46-I270 HydrophobicContact CG-CD1 3.65Å
47	V	98.4	Very high	94.4	Very high	34 Å²	34	68 Å²	68	21%	0.206	35%	0.346	C	S	.	.	H	α-helix	trans	-65.1	-45.1	179.9	179.5	0	0	0	0	110.3	D45 A49 V50 K51 A76 K79 T80	D45-V47 VanDerWaalsContact C-N 3.26Å; D45-V47 PolarHBondContact O-N 3.19Å; D45-V47 WeakPolarHBondContact OD1-CB 3.43Å; D45-V47 PolarHBondContact OD1-N 2.85Å; V47-A49 PolarHBondContact O-N 3.25Å; V47-V50 CarbonylContact O-C 3.47Å; V47-V50 PolarHBondContact O-N 2.98Å; V47-V50 VanDerWaalsContact O-N 3.11Å; V47-K51 WeakPolarHBondContact O-CA 3.43Å; V47-K51 WeakPolarHBondContact O-CB 3.38Å; V47-K51 PolarHBondContact O-N 2.78Å; V47-A76 HydrophobicContact CG2-CB 4.23Å; V47-K79 HydrophobicContact CG2-CB 4.15Å; V47-K79 HydrophobicContact CG2-CD 3.77Å; V47-T80 HydrophobicContact CG1-CG2 4.11Å
48	E	98.5	Very high	96.2	Very high	81 Å²	81	61.8 Å²	61.8	38%	0.379	32%	0.32	S	S	.	.	H	α-helix	trans	-61.4	-28.8	176.5	-75.3	-68.5	119.9	0	0	113.2	Y43 D45 V50 K51	Y43-E48 HydrophobicContact CD1-CB 4.02Å; Y43-E48 HydrophobicContact CE1-CB 4.35Å; Y43-E48 VanDerWaalsContact CE1-O 3.31Å; Y43-E48 WeakPolarHBondContact CE1-O 3.28Å; D45-E48 HydrophobicContact CB-CB 4.13Å; D45-E48 HydrophobicContact CB-CG 4.06Å; D45-E48 PolarHBondContact O-N 3.05Å; E48-V50 VanDerWaalsContact C-N 3.34Å; E48-K51 VanDerWaalsContact CD-NZ 3.29Å; E48-K51 WeakPolarHBondContact OE1-CD 3.33Å; E48-K51 IonicContact OE1-NZ 3.41Å; E48-K51 PolarHBondContact OE1-NZ 2.7Å; E48-K51 WeakPolarHBondContact OE2-CE 3.4Å; E48-K51 IonicContact OE2-NZ 3.48Å; E48-K51 PolarHBondContact OE2-NZ 3.13Å
49	A	98.3	Very high	97.6	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-75.2	-20.5	178.3	0	0	0	0	0	113.5	Y43 D45 P46 V47 V242 R268	Y43-A49 HydrophobicContact CD1-CB 3.92Å; Y43-A49 HydrophobicContact CD2-CB 4.35Å; Y43-A49 HydrophobicContact CE1-CB 4.41Å; Y43-A49 HydrophobicContact CG-CB 3.88Å; D45-A49 PolarHBondContact O-N 2.8Å; P46-A49 WeakPolarHBondContact O-CB 3.12Å; P46-A49 PolarHBondContact O-N 2.95Å; V47-A49 PolarHBondContact O-N 3.25Å; A49-V242 HydrophobicContact CB-CG1 3.93Å; A49-R268 WeakPolarHBondContact O-CD 3.26Å; A49-R268 PolarHBondContact O-NH1 3.06Å
50	V	98.7	Very high	98.3	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.006	27%	0.272	C	S	.	.	H	α-helix	trans	-125.7	3.5	-175.9	-55.2	0	0	0	0	114.4	P46 V47 E48 D52 I53 L73 A76 L77 T80 L209 V242	P46-V50 WeakPolarHBondContact O-CG2 3.45Å; P46-V50 PolarHBondContact O-N 3.05Å; V47-V50 CarbonylContact O-C 3.47Å; V47-V50 PolarHBondContact O-N 2.98Å; V47-V50 VanDerWaalsContact O-N 3.11Å; E48-V50 VanDerWaalsContact C-N 3.34Å; V50-D52 PolarHBondContact O-N 3.31Å; V50-D52 VanDerWaalsContact O-N 3.12Å; V50-I53 HydrophobicContact CB-CD1 4.04Å; V50-I53 HydrophobicContact CB-CG1 4.38Å; V50-I53 HydrophobicContact CG1-CD1 4.46Å; V50-I53 WeakPolarHBondContact O-CG1 3.44Å; V50-I53 PolarHBondContact O-N 3.28Å; V50-L73 HydrophobicContact CG1-CD2 4.06Å; V50-A76 HydrophobicContact CG2-CB 3.64Å; V50-L77 HydrophobicContact CB-CD2 3.85Å; V50-L77 HydrophobicContact CG1-CD2 4.5Å; V50-L77 HydrophobicContact CG2-CD2 3.73Å; V50-T80 HydrophobicContact CG2-CG2 4.11Å; V50-L209 HydrophobicContact CG1-CD2 3.97Å; V50-V242 HydrophobicContact CG1-CG1 4.37Å
51	K	98.2	Very high	98.4	Very high	120 Å²	120	50 Å²	50	52%	0.522	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-20.6	-173	65.7	177.7	178.6	-176.4	0	115.6	V47 E48	V47-K51 WeakPolarHBondContact O-CA 3.43Å; V47-K51 WeakPolarHBondContact O-CB 3.38Å; V47-K51 PolarHBondContact O-N 2.78Å; E48-K51 VanDerWaalsContact CD-NZ 3.29Å; E48-K51 WeakPolarHBondContact OE1-CD 3.33Å; E48-K51 IonicContact OE1-NZ 3.41Å; E48-K51 PolarHBondContact OE1-NZ 2.7Å; E48-K51 WeakPolarHBondContact OE2-CE 3.4Å; E48-K51 IonicContact OE2-NZ 3.48Å; E48-K51 PolarHBondContact OE2-NZ 3.13Å
52	D	98.6	Very high	98.5	Very high	77 Å²	77	44.2 Å²	44.2	41%	0.412	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.7	7.6	-177.1	66.1	-35.4	0	0	0	113.2	V50 P54 R268	V50-D52 PolarHBondContact O-N 3.31Å; V50-D52 VanDerWaalsContact O-N 3.12Å; D52-P54 VanDerWaalsContact O-CD 3.24Å; D52-P54 WeakPolarHBondContact O-CD 3.49Å; D52-R268 IonicContact OD1-CZ 3.54Å; D52-R268 IonicContact OD1-NH1 2.67Å; D52-R268 PolarHBondContact OD1-NH1 3.22Å; D52-R268 IonicContact OD1-NH2 2.69Å; D52-R268 PolarHBondContact OD1-NH2 3.35Å; D52-R268 IonicContact OD2-CZ 3.96Å; D52-R268 IonicContact OD2-NH1 2.91Å; D52-R268 IonicContact OD2-NH2 3.77Å; D52-R268 PolarHBondContact OD2-NH2 2.9Å
53	I	98.7	Very high	98.5	Very high	11 Å²	11	40.3 Å²	40.3	6%	0.056	23%	0.229	C	C	.	.			trans	-66.9	115.9	169.4	-59.8	-170.2	0	0	0	108.2	V50 A57 V59 L77 V82 L85 F207 L209	V50-I53 HydrophobicContact CB-CD1 4.04Å; V50-I53 HydrophobicContact CB-CG1 4.38Å; V50-I53 HydrophobicContact CG1-CD1 4.46Å; V50-I53 WeakPolarHBondContact O-CG1 3.44Å; V50-I53 PolarHBondContact O-N 3.28Å; I53-A57 HydrophobicContact CG2-CB 3.75Å; I53-V59 HydrophobicContact CG2-CG2 4.11Å; I53-L77 HydrophobicContact CD1-CD2 3.79Å; I53-V82 HydrophobicContact CG2-CG2 4.29Å; I53-V82 WeakPolarHBondContact O-CG2 3.24Å; I53-L85 HydrophobicContact CG2-CD2 4.21Å; I53-F207 HydrophobicContact CB-CD2 4.36Å; I53-F207 HydrophobicContact CB-CE2 4.32Å; I53-F207 HydrophobicContact CD1-CB 3.96Å; I53-F207 HydrophobicContact CD1-CD1 3.86Å; I53-F207 HydrophobicContact CD1-CD2 4.24Å; I53-F207 HydrophobicContact CD1-CE1 4.41Å; I53-F207 HydrophobicContact CD1-CG 3.76Å; I53-F207 HydrophobicContact CG1-CB 4.39Å; I53-F207 HydrophobicContact CG1-CD1 3.64Å; I53-F207 HydrophobicContact CG1-CD2 3.75Å; I53-F207 HydrophobicContact CG1-CE1 3.71Å; I53-F207 HydrophobicContact CG1-CE2 3.85Å; I53-F207 HydrophobicContact CG1-CG 3.66Å; I53-F207 HydrophobicContact CG1-CZ 3.82Å; I53-F207 HydrophobicContact CG2-CD2 4.27Å; I53-L209 HydrophobicContact CD1-CD2 4.41Å
54	P	98.6	Very high	98.5	Very high	72 Å²	72	38.5 Å²	38.5	47%	0.468	22%	0.221	S	C	.	.			trans	-77.2	157.8	-178.7	32.2	-34.5	0	0	0	111.6	D52 G56 A57 V82	D52-P54 VanDerWaalsContact O-CD 3.24Å; D52-P54 WeakPolarHBondContact O-CD 3.49Å; P54-G56 PolarHBondContact O-N 2.75Å; P54-A57 HydrophobicContact CG-CB 4.12Å; P54-A57 VanDerWaalsContact O-CB 3.28Å; P54-A57 WeakPolarHBondContact O-CB 3.35Å; P54-A57 PolarHBondContact O-N 2.96Å; P54-V82 WeakPolarHBondContact O-CG2 3.42Å
55	D	98.7	Very high	98.5	Very high	114 Å²	114	32.3 Å²	32.3	61%	0.61	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	138	167.1	-77.8	-5.2	0	0	0	110.1	A57 V82 K83	D55-A57 VanDerWaalsContact C-N 3.34Å; D55-V82 WeakPolarHBondContact OD1-CA 3.45Å; D55-V82 WeakPolarHBondContact OD1-CG2 3.16Å; D55-K83 CarbonylContact C-O 3.57Å; D55-K83 WeakPolarHBondContact CA-O 3.14Å; D55-K83 WeakPolarHBondContact CB-O 3.44Å; D55-K83 PolarHBondContact OD1-N 3.25Å
56	G	98.6	Very high	98.5	Very high	46 Å²	46	30 Å²	30	47%	0.474	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.8	-2.3	-178.7	0	0	0	0	0	115.8	P54 K83 G84	P54-G56 PolarHBondContact O-N 2.75Å; G56-K83 PolarHBondContact N-O 2.91Å; G56-G84 WeakPolarHBondContact CA-O 3.42Å
57	A	98.8	Very high	98.5	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.017	17%	0.17	C	C	.	.			trans	-59.5	149.3	179.9	0	0	0	0	0	113.4	I53 P54 D55 V59 L85 T86 D206	I53-A57 HydrophobicContact CG2-CB 3.75Å; P54-A57 HydrophobicContact CG-CB 4.12Å; P54-A57 VanDerWaalsContact O-CB 3.28Å; P54-A57 WeakPolarHBondContact O-CB 3.35Å; P54-A57 PolarHBondContact O-N 2.96Å; D55-A57 VanDerWaalsContact C-N 3.34Å; A57-V59 HydrophobicContact CB-CG2 4.19Å; A57-L85 HydrophobicContact CB-CD2 4.11Å; A57-L85 WeakPolarHBondContact O-CA 3.03Å; A57-T86 PolarHBondContact O-N 3.18Å; A57-D206 WeakPolarHBondContact CA-OD2 3.42Å; A57-D206 HydrophobicContact CB-CB 4.33Å
58	T	98.9	Very high	98.6	Very high	39 Å²	39	28.4 Å²	28.4	24%	0.239	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	117.9	165.2	-58.2	0	0	0	0	109.2	T86 V88 G205 D206 F207	T58-T86 CarbonylContact C-O 3.59Å; T58-T86 WeakPolarHBondContact CA-O 3.26Å; T58-T86 HydrophobicContact CG2-CG2 4.33Å; T58-V88 HydrophobicContact CG2-CG2 3.94Å; T58-G205 CarbonylContact O-C 3.53Å; T58-G205 WeakPolarHBondContact O-CA 3.21Å; T58-D206 PolarHBondContact N-OD2 2.9Å; T58-D206 PolarHBondContact O-N 3.37Å; T58-F207 PolarHBondContact O-N 3.25Å
59	V	98.9	Very high	98.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	119.1	-175.7	-173.2	0	0	0	0	109.5	I53 A57 V61 L85 T86 A87 V88 F207 L209	I53-V59 HydrophobicContact CG2-CG2 4.11Å; A57-V59 HydrophobicContact CB-CG2 4.19Å; V59-V61 HydrophobicContact CG1-CG2 3.9Å; V59-L85 HydrophobicContact CG2-CD2 4.04Å; V59-T86 PolarHBondContact N-O 3.2Å; V59-A87 WeakPolarHBondContact O-CA 3.34Å; V59-V88 PolarHBondContact O-N 3.42Å; V59-F207 CarbonylContact C-O 3.52Å; V59-F207 WeakPolarHBondContact CA-O 3.47Å; V59-F207 HydrophobicContact CG1-CB 4.4Å; V59-L209 HydrophobicContact CG1-CD1 4.04Å; V59-L209 HydrophobicContact CG1-CG 3.81Å
60	L	98.9	Very high	98.6	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	131.2	171.1	-45.3	-173	0	0	0	108.6	V88 I145 I203 F207 A208 L209 M234 A237 A238	L60-V88 WeakPolarHBondContact CA-O 3.46Å; L60-V88 HydrophobicContact CD2-CB 3.59Å; L60-V88 HydrophobicContact CD2-CG1 4.05Å; L60-V88 HydrophobicContact CD2-CG2 3.82Å; L60-I145 HydrophobicContact CD1-CG2 4.28Å; L60-I203 HydrophobicContact CD2-CG2 3.91Å; L60-F207 PolarHBondContact N-O 3.48Å; L60-A208 HydrophobicContact CB-CB 4.03Å; L60-A208 HydrophobicContact CD1-CB 4.41Å; L60-A208 HydrophobicContact CG-CB 4.46Å; L60-A208 CarbonylContact O-C 3.58Å; L60-A208 WeakPolarHBondContact O-CA 3.43Å; L60-L209 PolarHBondContact O-N 3.04Å; L60-M234 HydrophobicContact CB-CB 4.09Å; L60-M234 HydrophobicContact CB-CE 4.47Å; L60-M234 HydrophobicContact CB-CG 3.94Å; L60-M234 HydrophobicContact CB-SD 4.02Å; L60-M234 HydrophobicContact CD1-CB 4.24Å; L60-M234 HydrophobicContact CD1-CG 4.25Å; L60-A237 HydrophobicContact CD1-CB 3.76Å; L60-A237 WeakPolarHBondContact CD1-O 3.49Å; L60-A238 HydrophobicContact CD1-CB 4.47Å
61	V	98.9	Very high	98.6	Very high	5 Å²	5	26 Å²	26	3%	0.03	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	113	-178.5	-175.1	0	0	0	0	109.8	V59 P70 I74 V88 S89 L99 L209 M234	V59-V61 HydrophobicContact CG1-CG2 3.9Å; V61-P70 HydrophobicContact CG1-CG 3.7Å; V61-I74 HydrophobicContact CG1-CD1 4.2Å; V61-V88 PolarHBondContact N-O 3.37Å; V61-S89 WeakPolarHBondContact O-CB 3.2Å; V61-S89 PolarHBondContact O-OG 2.99Å; V61-L99 HydrophobicContact CB-CD1 4.15Å; V61-L99 HydrophobicContact CB-CD2 4.34Å; V61-L99 HydrophobicContact CB-CG 4.5Å; V61-L99 HydrophobicContact CG1-CD1 4.23Å; V61-L99 HydrophobicContact CG1-CD2 4.05Å; V61-L99 HydrophobicContact CG1-CG 4.11Å; V61-L99 HydrophobicContact CG2-CD2 4.13Å; V61-L209 HydrophobicContact CG2-CB 4.48Å; V61-L209 HydrophobicContact CG2-CD1 4.47Å; V61-M234 VanDerWaalsContact O-SD 3.41Å
62	G	98.8	Very high	98.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	13%	0.131	C	C	.	.			trans	-68.4	166.2	-177.9	0	0	0	0	0	113.8	P70 L209 N231 M234	G62-P70 VanDerWaalsContact O-CD 3.31Å; G62-P70 WeakPolarHBondContact O-CD 3.43Å; G62-L209 PolarHBondContact N-O 3.33Å; G62-N231 WeakPolarHBondContact CA-OD1 3.41Å; G62-M234 VanDerWaalsContact CA-SD 3.57Å; G62-M234 PolarHBondContact N-SD 2.83Å; G62-M234 VanDerWaalsContact N-SD 3.4Å
63	G	98.6	Very high	98.6	Very high	2 Å²	2	17.2 Å²	17.2	2%	0.021	11%	0.111	C	C	.	.			trans	120.7	160.8	179.6	0	0	0	0	0	114.2	C67 G68 N229	G63-C67 WeakPolarHBondContact CA-O 3.36Å; G63-G68 VanDerWaalsContact CA-O 3.3Å; G63-G68 WeakPolarHBondContact CA-O 3.46Å; G63-G68 PolarHBondContact N-O 3.38Å; G63-N229 WeakPolarHBondContact CA-OD1 3.11Å; G63-N229 PolarHBondContact N-OD1 3.39Å; G63-N229 VanDerWaalsContact N-OD1 3.16Å
64	F	98.5	Very high	98.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	11%	0.109	C	C	.	.	B	Isolated β-bridge	trans	-134.2	111.3	173.6	-177.2	-90.3	0	0	0	109.1	L66 C67 N90 N229 E344 N345 I364 K368	F64-L66 PolarHBondContact O-N 3.11Å; F64-C67 PolarHBondContact N-O 3.41Å; F64-C67 WeakPolarHBondContact O-CB 3.36Å; F64-C67 PolarHBondContact O-N 3.42Å; F64-N90 WeakPolarHBondContact CD2-ND2 3.39Å; F64-N90 WeakPolarHBondContact CE2-ND2 3.49Å; F64-N229 HydrophobicContact CB-CB 3.92Å; F64-N229 PolarHBondContact N-ND2 3.34Å; F64-E344 HydrophobicContact CZ-CG 4.47Å; F64-N345 HydrophobicContact CB-CB 4.38Å; F64-N345 HydrophobicContact CD1-CB 3.52Å; F64-N345 HydrophobicContact CD2-CB 3.73Å; F64-N345 HydrophobicContact CE1-CB 3.54Å; F64-N345 HydrophobicContact CE2-CB 3.77Å; F64-N345 HydrophobicContact CG-CB 3.62Å; F64-N345 HydrophobicContact CZ-CB 3.69Å; F64-I364 HydrophobicContact CD1-CD1 3.87Å; F64-I364 HydrophobicContact CE1-CD1 4.4Å; F64-K368 HydrophobicContact CD1-CD 3.64Å; F64-K368 VanDerWaalsContact CD1-CE 3.4Å; F64-K368 HydrophobicContact CE1-CD 3.44Å; F64-K368 VanDerWaalsContact CE1-CD 3.44Å; F64-K368 HydrophobicContact CZ-CD 4.36Å
65	G	97.2	Very high	98.6	Very high	5 Å²	5	16.2 Å²	16.2	5%	0.052	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	-117.8	-162	0	0	0	0	0	110.4	I69 N91	G65-I69 WeakPolarHBondContact O-CG2 3.15Å; G65-N91 PolarHBondContact N-OD1 2.94Å
66	L	98.1	Very high	98.6	Very high	13 Å²	13	10.8 Å²	10.8	7%	0.068	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.1	-0.5	172.4	-55.5	-174.9	0	0	0	114.1	F64 G68 I69 V94 F97 R278 E280	F64-L66 PolarHBondContact O-N 3.11Å; L66-G68 PolarHBondContact O-N 3.44Å; L66-I69 HydrophobicContact CD2-CD1 4.18Å; L66-V94 HydrophobicContact CD1-CG1 4.14Å; L66-V94 HydrophobicContact CD1-CG2 4.06Å; L66-V94 HydrophobicContact CD2-CG1 4.23Å; L66-V94 HydrophobicContact CD2-CG2 4.16Å; L66-V94 HydrophobicContact CG-CG1 4.3Å; L66-F97 HydrophobicContact CD1-CD1 4.31Å; L66-F97 HydrophobicContact CD2-CB 4.4Å; L66-F97 HydrophobicContact CD2-CD1 4.17Å; L66-R278 HydrophobicContact CD1-CB 4.39Å; L66-R278 HydrophobicContact CD1-CG 3.93Å; L66-E280 HydrophobicContact CD1-CB 4.12Å; L66-E280 HydrophobicContact CG-CB 4.26Å
67	C	98.6	Very high	98.6	Very high	2 Å²	2	8.6 Å²	8.6	1%	0.014	5%	0.05	C	C	.	.	B	Isolated β-bridge	trans	-83.6	116.8	-177.6	-171.7	0	0	0	0	111.2	G63 F64 N229 A361 I364	G63-C67 WeakPolarHBondContact CA-O 3.36Å; F64-C67 PolarHBondContact N-O 3.41Å; F64-C67 WeakPolarHBondContact O-CB 3.36Å; F64-C67 PolarHBondContact O-N 3.42Å; C67-N229 PolarHBondContact O-ND2 3Å; C67-A361 PolarHBondContact SG-O 3.13Å; C67-I364 HydrophobicContact CB-CD1 3.41Å; C67-I364 VanDerWaalsContact CB-CD1 3.41Å; C67-I364 HydrophobicContact CB-CG1 3.78Å
68	G	98.7	Very high	98.5	Very high	6 Å²	6	12 Å²	12	6%	0.062	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	35	-179.9	0	0	0	0	0	113.9	G63 L66 K211 N231	G63-G68 VanDerWaalsContact CA-O 3.3Å; G63-G68 WeakPolarHBondContact CA-O 3.46Å; G63-G68 PolarHBondContact N-O 3.38Å; L66-G68 PolarHBondContact O-N 3.44Å; G68-K211 WeakPolarHBondContact O-CB 3.5Å; G68-N231 PolarHBondContact O-ND2 2.83Å
69	I	98.6	Very high	98.5	Very high	12 Å²	12	17 Å²	17	6%	0.062	9%	0.086	C	C	.	.			trans	-82.5	146.9	172.4	60	170.7	0	0	0	111.1	G65 L66 E71 F97 K211	G65-I69 WeakPolarHBondContact O-CG2 3.15Å; L66-I69 HydrophobicContact CD2-CD1 4.18Å; I69-E71 VanDerWaalsContact C-N 3.31Å; I69-E71 PolarHBondContact O-N 3.22Å; I69-F97 HydrophobicContact CD1-CD1 3.63Å; I69-F97 HydrophobicContact CD1-CE1 3.66Å; I69-K211 WeakPolarHBondContact O-CB 3.27Å; I69-K211 WeakPolarHBondContact O-CG 3.02Å
70	P	98.7	Very high	98.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.101	C	C	.	.			trans	-82.1	70.8	178.3	33.9	-36.7	0	0	0	111.8	V61 G62 N72 L73 I74 L209 K211 E244	V61-P70 HydrophobicContact CG1-CG 3.7Å; G62-P70 VanDerWaalsContact O-CD 3.31Å; G62-P70 WeakPolarHBondContact O-CD 3.43Å; P70-N72 PolarHBondContact O-N 3.46Å; P70-L73 HydrophobicContact CB-CB 4.25Å; P70-L73 HydrophobicContact CB-CD1 4.19Å; P70-L73 PolarHBondContact O-N 3.25Å; P70-I74 HydrophobicContact CG-CD1 4.13Å; P70-I74 HydrophobicContact CG-CG1 4.26Å; P70-I74 VanDerWaalsContact O-CG1 3.3Å; P70-I74 WeakPolarHBondContact O-CG1 3.38Å; P70-I74 PolarHBondContact O-N 3.08Å; P70-L209 HydrophobicContact CB-CB 4.34Å; P70-L209 HydrophobicContact CG-CB 3.94Å; P70-K211 HydrophobicContact CB-CB 4.27Å; P70-E244 VanDerWaalsContact C-CD 3.48Å; P70-E244 VanDerWaalsContact CA-CD 3.45Å; P70-E244 WeakPolarHBondContact CA-OE1 3.26Å; P70-E244 HydrophobicContact CB-CG 4Å
71	E	98.6	Very high	98.4	Very high	19 Å²	19	20.9 Å²	20.9	9%	0.089	12%	0.116	C	C	.	.	H	α-helix	trans	-60	-39.3	-168.2	65.6	-175.1	94.3	0	0	114.1	I69 I74 D75 F97 E244 Y275 E276	I69-E71 VanDerWaalsContact C-N 3.31Å; I69-E71 PolarHBondContact O-N 3.22Å; E71-I74 PolarHBondContact O-N 3.42Å; E71-D75 PolarHBondContact O-N 3.18Å; E71-F97 HydrophobicContact CB-CZ 4.13Å; E71-E244 PolarHBondContact N-OE1 3.39Å; E71-Y275 HydrophobicContact CG-CD1 3.98Å; E71-Y275 HydrophobicContact CG-CE1 4.19Å; E71-Y275 WeakPolarHBondContact OE1-CD1 3.26Å; E71-Y275 WeakPolarHBondContact OE2-CA 3.43Å; E71-E276 PolarHBondContact OE1-N 2.89Å; E71-E276 PolarHBondContact OE2-N 2.97Å
72	N	98.7	Very high	98.4	Very high	13 Å²	13	21 Å²	21	7%	0.07	12%	0.117	C	C	.	.	H	α-helix	trans	-75.5	-35.9	-178.9	-54.1	-106.6	0	0	0	111.1	P46 P70 D75 A76 E244 E273 K274 Y275	P46-N72 HydrophobicContact CG-CB 4.26Å; P70-N72 PolarHBondContact O-N 3.46Å; N72-D75 PolarHBondContact O-N 3.24Å; N72-A76 WeakPolarHBondContact O-CB 3.34Å; N72-A76 PolarHBondContact O-N 2.64Å; N72-E244 VanDerWaalsContact CA-OE2 3.28Å; N72-E244 WeakPolarHBondContact CA-OE2 3.31Å; N72-E244 WeakPolarHBondContact CB-OE2 3.33Å; N72-E244 PolarHBondContact N-OE2 3.45Å; N72-E244 PolarHBondContact ND2-OE2 2.62Å; N72-E273 PolarHBondContact OD1-N 3.41Å; N72-K274 PolarHBondContact ND2-O 2.86Å; N72-K274 PolarHBondContact OD1-N 2.76Å; N72-K274 VanDerWaalsContact OD1-N 3.15Å; N72-K274 PolarHBondContact OD1-O 3.46Å; N72-Y275 WeakPolarHBondContact ND2-CE1 3.29Å
73	L	98.7	Very high	98.4	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-69.2	-35.3	175.1	-60.1	177.8	0	0	0	112	P46 V50 P70 A76 L77 L209 V242 E244 I270	P46-L73 HydrophobicContact CB-CD2 4.47Å; V50-L73 HydrophobicContact CG1-CD2 4.06Å; P70-L73 HydrophobicContact CB-CB 4.25Å; P70-L73 HydrophobicContact CB-CD1 4.19Å; P70-L73 PolarHBondContact O-N 3.25Å; L73-A76 WeakPolarHBondContact O-CB 3.35Å; L73-A76 PolarHBondContact O-N 3.49Å; L73-L77 PolarHBondContact O-N 3.37Å; L73-L209 HydrophobicContact CB-CB 4.43Å; L73-L209 HydrophobicContact CB-CD1 4.2Å; L73-L209 HydrophobicContact CB-CD2 4.38Å; L73-L209 HydrophobicContact CD1-CB 4.14Å; L73-L209 HydrophobicContact CD1-CD2 4.16Å; L73-V242 HydrophobicContact CD1-CB 4.16Å; L73-V242 HydrophobicContact CD1-CG1 3.83Å; L73-V242 WeakPolarHBondContact CD1-O 3.4Å; L73-V242 HydrophobicContact CD2-CG1 3.76Å; L73-V242 HydrophobicContact CG-CG1 4.48Å; L73-E244 HydrophobicContact CD1-CB 4.11Å; L73-E244 HydrophobicContact CD1-CG 4.01Å; L73-E244 HydrophobicContact CG-CB 4.09Å; L73-E244 HydrophobicContact CG-CG 4.09Å; L73-E244 PolarHBondContact N-OE2 3.09Å; L73-I270 HydrophobicContact CD2-CG2 4.01Å
74	I	98.5	Very high	98.4	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-64.3	-45.9	172.9	-70.6	167.9	0	0	0	110.2	V61 P70 E71 A76 L77 L78 L101 L102	V61-I74 HydrophobicContact CG1-CD1 4.2Å; P70-I74 HydrophobicContact CG-CD1 4.13Å; P70-I74 HydrophobicContact CG-CG1 4.26Å; P70-I74 VanDerWaalsContact O-CG1 3.3Å; P70-I74 WeakPolarHBondContact O-CG1 3.38Å; P70-I74 PolarHBondContact O-N 3.08Å; E71-I74 PolarHBondContact O-N 3.42Å; I74-A76 PolarHBondContact O-N 3.35Å; I74-L77 PolarHBondContact O-N 2.96Å; I74-L78 PolarHBondContact O-N 3.37Å; I74-L101 HydrophobicContact CG2-CB 4.39Å; I74-L101 HydrophobicContact CG2-CD1 4.22Å; I74-L102 HydrophobicContact CG2-CD1 4.41Å; I74-L102 HydrophobicContact CG2-CG 4.15Å
75	D	98.1	Very high	98.4	Very high	59 Å²	59	28.1 Å²	28.1	32%	0.316	16%	0.155	S	C	.	.	H	α-helix	trans	-62.5	-33.1	174.5	-78.3	-11.6	0	0	0	112.2	E71 N72 L78 K79 L101	E71-D75 PolarHBondContact O-N 3.18Å; N72-D75 PolarHBondContact O-N 3.24Å; D75-L78 WeakPolarHBondContact O-CB 3.32Å; D75-L78 PolarHBondContact O-N 2.97Å; D75-K79 WeakPolarHBondContact O-CG 3.47Å; D75-K79 PolarHBondContact O-N 3.27Å; D75-K79 VanDerWaalsContact O-N 3.17Å; D75-L101 WeakPolarHBondContact OD1-CD1 3.37Å
76	A	98.5	Very high	98.5	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.4	-44.9	173.4	0	0	0	0	0	111.9	P46 V47 V50 N72 L73 I74 L78 K79 T80	P46-A76 HydrophobicContact CB-CB 3.71Å; V47-A76 HydrophobicContact CG2-CB 4.23Å; V50-A76 HydrophobicContact CG2-CB 3.64Å; N72-A76 WeakPolarHBondContact O-CB 3.34Å; N72-A76 PolarHBondContact O-N 2.64Å; L73-A76 WeakPolarHBondContact O-CB 3.35Å; L73-A76 PolarHBondContact O-N 3.49Å; I74-A76 PolarHBondContact O-N 3.35Å; A76-L78 VanDerWaalsContact C-N 3.27Å; A76-L78 PolarHBondContact O-N 3.05Å; A76-K79 WeakPolarHBondContact O-CB 3.28Å; A76-K79 PolarHBondContact O-N 3.49Å; A76-T80 WeakPolarHBondContact O-CG2 3.37Å; A76-T80 PolarHBondContact O-N 2.82Å
77	L	98.4	Very high	98.5	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-62.4	-35.4	174	-66.9	-168.9	0	0	0	112.8	V50 I53 L73 I74 K79 T80 G81 V82 L85 L102 Q107 L209	V50-L77 HydrophobicContact CB-CD2 3.85Å; V50-L77 HydrophobicContact CG1-CD2 4.5Å; V50-L77 HydrophobicContact CG2-CD2 3.73Å; I53-L77 HydrophobicContact CD1-CD2 3.79Å; L73-L77 PolarHBondContact O-N 3.37Å; I74-L77 PolarHBondContact O-N 2.96Å; L77-K79 PolarHBondContact O-N 3.42Å; L77-T80 PolarHBondContact O-N 3.22Å; L77-T80 PolarHBondContact O-OG1 3.29Å; L77-G81 PolarHBondContact O-N 3.34Å; L77-G81 VanDerWaalsContact O-N 3.11Å; L77-V82 HydrophobicContact CD2-CG1 4.14Å; L77-L85 HydrophobicContact CD1-CD1 4.22Å; L77-L102 HydrophobicContact CB-CD1 4.23Å; L77-L102 HydrophobicContact CB-CD2 4.04Å; L77-L102 HydrophobicContact CD1-CD1 3.93Å; L77-Q107 PolarHBondContact O-NE2 3.36Å; L77-L209 HydrophobicContact CD1-CD1 3.57Å; L77-L209 HydrophobicContact CG-CD1 4.07Å
78	L	98	Very high	98.5	Very high	73 Å²	73	28.7 Å²	28.7	38%	0.382	16%	0.159	S	C	.	.	H	α-helix	trans	-60.3	-37.9	174.1	-174.5	64.3	0	0	0	111.1	I74 D75 A76 L102	I74-L78 PolarHBondContact O-N 3.37Å; D75-L78 WeakPolarHBondContact O-CB 3.32Å; D75-L78 PolarHBondContact O-N 2.97Å; A76-L78 VanDerWaalsContact C-N 3.27Å; A76-L78 PolarHBondContact O-N 3.05Å; L78-L102 HydrophobicContact CB-CD2 4.22Å
79	K	98.2	Very high	98.5	Very high	145 Å²	145	28.6 Å²	28.6	63%	0.63	16%	0.157	S	C	*	.	H	α-helix	trans	-74.7	-36.9	177.2	-65.8	167.4	-174	173	0	113.3	V47 D75 A76 L77 G81	V47-K79 HydrophobicContact CG2-CB 4.15Å; V47-K79 HydrophobicContact CG2-CD 3.77Å; D75-K79 WeakPolarHBondContact O-CG 3.47Å; D75-K79 PolarHBondContact O-N 3.27Å; D75-K79 VanDerWaalsContact O-N 3.17Å; A76-K79 WeakPolarHBondContact O-CB 3.28Å; A76-K79 PolarHBondContact O-N 3.49Å; L77-K79 PolarHBondContact O-N 3.42Å; K79-G81 VanDerWaalsContact C-N 3.26Å; K79-G81 PolarHBondContact O-N 3.29Å
80	T	98.3	Very high	98.5	Very high	50 Å²	50	28 Å²	28	31%	0.307	15%	0.154	S	C	.	.	H	α-helix	trans	-67.6	-30.2	176.8	65	0	0	0	0	111.9	V47 V50 A76 L77 V82	V47-T80 HydrophobicContact CG1-CG2 4.11Å; V50-T80 HydrophobicContact CG2-CG2 4.11Å; A76-T80 WeakPolarHBondContact O-CG2 3.37Å; A76-T80 PolarHBondContact O-N 2.82Å; L77-T80 PolarHBondContact O-N 3.22Å; L77-T80 PolarHBondContact O-OG1 3.29Å; T80-V82 VanDerWaalsContact C-N 3.26Å; T80-V82 PolarHBondContact O-N 2.93Å
81	G	98	Very high	98.5	Very high	31 Å²	31	28.4 Å²	28.4	32%	0.32	16%	0.156	S	C	.	.			trans	73.4	14.5	179.4	0	0	0	0	0	114.4	L77 K79 K83	L77-G81 PolarHBondContact O-N 3.34Å; L77-G81 VanDerWaalsContact O-N 3.11Å; K79-G81 VanDerWaalsContact C-N 3.26Å; K79-G81 PolarHBondContact O-N 3.29Å; G81-K83 WeakPolarHBondContact O-CG 3.15Å
82	V	98.5	Very high	98.4	Very high	7 Å²	7	27.5 Å²	27.5	4%	0.042	15%	0.152	C	C	.	.			trans	-53.5	139.1	176.5	64.3	0	0	0	0	111.4	I53 P54 D55 L77 T80 L85 Q107	I53-V82 HydrophobicContact CG2-CG2 4.29Å; I53-V82 WeakPolarHBondContact O-CG2 3.24Å; P54-V82 WeakPolarHBondContact O-CG2 3.42Å; D55-V82 WeakPolarHBondContact OD1-CA 3.45Å; D55-V82 WeakPolarHBondContact OD1-CG2 3.16Å; L77-V82 HydrophobicContact CD2-CG1 4.14Å; T80-V82 VanDerWaalsContact C-N 3.26Å; T80-V82 PolarHBondContact O-N 2.93Å; V82-L85 HydrophobicContact CG1-CD1 4Å; V82-L85 HydrophobicContact CG1-CD2 4.28Å; V82-L85 HydrophobicContact CG1-CG 4.38Å; V82-L85 HydrophobicContact CG2-CD2 3.87Å; V82-Q107 WeakPolarHBondContact O-CB 3.43Å; V82-Q107 WeakPolarHBondContact O-CG 3.42Å; V82-Q107 PolarHBondContact O-NE2 3.29Å
83	K	98.4	Very high	98.2	Very high	121 Å²	121	27.2 Å²	27.2	53%	0.526	15%	0.152	S	C	.	.			trans	-127.6	167.9	-172.3	-55.1	-166	-179.9	-176.8	0	113	D55 G56 G81 L85 Q107	D55-K83 CarbonylContact C-O 3.57Å; D55-K83 WeakPolarHBondContact CA-O 3.14Å; D55-K83 WeakPolarHBondContact CB-O 3.44Å; D55-K83 PolarHBondContact OD1-N 3.25Å; G56-K83 PolarHBondContact N-O 2.91Å; G81-K83 WeakPolarHBondContact O-CG 3.15Å; K83-L85 PolarHBondContact O-N 3.21Å; K83-Q107 CarbonylContact C-O 3.56Å; K83-Q107 WeakPolarHBondContact CA-O 3.46Å
84	G	98.5	Very high	98.1	Very high	28 Å²	28	27.9 Å²	27.9	29%	0.289	16%	0.156	S	C	.	.	S	Bend	trans	73.1	15.2	174.5	0	0	0	0	0	114.2	G56 Q107	G56-G84 WeakPolarHBondContact CA-O 3.42Å; G84-Q107 PolarHBondContact N-O 2.88Å
85	L	98.8	Very high	98	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.016	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	143.5	-173.8	-61.5	-179.9	0	0	0	112.2	I53 A57 V59 L77 V82 K83 Q107 K109 R110	I53-L85 HydrophobicContact CG2-CD2 4.21Å; A57-L85 HydrophobicContact CB-CD2 4.11Å; A57-L85 WeakPolarHBondContact O-CA 3.03Å; V59-L85 HydrophobicContact CG2-CD2 4.04Å; L77-L85 HydrophobicContact CD1-CD1 4.22Å; V82-L85 HydrophobicContact CG1-CD1 4Å; V82-L85 HydrophobicContact CG1-CD2 4.28Å; V82-L85 HydrophobicContact CG1-CG 4.38Å; V82-L85 HydrophobicContact CG2-CD2 3.87Å; K83-L85 PolarHBondContact O-N 3.21Å; L85-Q107 PolarHBondContact N-O 2.66Å; L85-K109 PolarHBondContact O-N 2.98Å; L85-R110 PolarHBondContact O-N 3.48Å; L85-R110 VanDerWaalsContact O-N 3.12Å
86	T	98.9	Very high	97.9	Very high	27 Å²	27	31.1 Å²	31.1	17%	0.166	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	102.7	158.5	-62.2	0	0	0	0	108.1	A57 T58 V59 R110 V112	A57-T86 PolarHBondContact O-N 3.18Å; T58-T86 CarbonylContact C-O 3.59Å; T58-T86 WeakPolarHBondContact CA-O 3.26Å; T58-T86 HydrophobicContact CG2-CG2 4.33Å; V59-T86 PolarHBondContact N-O 3.2Å; T86-R110 CarbonylContact C-O 3.58Å; T86-R110 WeakPolarHBondContact CA-O 3.41Å; T86-R110 HydrophobicContact CG2-CB 4.11Å; T86-R110 HydrophobicContact CG2-CG 4.11Å; T86-V112 HydrophobicContact CG2-CG2 4.29Å
87	A	98.8	Very high	97.8	Very high	3 Å²	3	31.8 Å²	31.8	3%	0.025	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	117.2	179.2	0	0	0	0	0	110.3	V59 I108 R110 M111 V112	V59-A87 WeakPolarHBondContact O-CA 3.34Å; A87-I108 HydrophobicContact CB-CD1 3.95Å; A87-I108 HydrophobicContact CB-CG1 4.3Å; A87-I108 HydrophobicContact CB-CG2 4.13Å; A87-R110 PolarHBondContact N-O 3.27Å; A87-M111 HydrophobicContact CB-SD 3.75Å; A87-M111 WeakPolarHBondContact O-CA 3.42Å; A87-V112 PolarHBondContact O-N 3.15Å
88	V	98.9	Very high	97.8	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.018	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	106.8	172.8	-175.3	0	0	0	0	107.7	T58 V59 L60 V61 V112 L141 I145 I203 M234	T58-V88 HydrophobicContact CG2-CG2 3.94Å; V59-V88 PolarHBondContact O-N 3.42Å; L60-V88 WeakPolarHBondContact CA-O 3.46Å; L60-V88 HydrophobicContact CD2-CB 3.59Å; L60-V88 HydrophobicContact CD2-CG1 4.05Å; L60-V88 HydrophobicContact CD2-CG2 3.82Å; V61-V88 PolarHBondContact N-O 3.37Å; V88-V112 HydrophobicContact CB-CB 4.44Å; V88-V112 HydrophobicContact CG1-CB 4.25Å; V88-V112 HydrophobicContact CG1-CG1 4.46Å; V88-V112 HydrophobicContact CG2-CB 4.14Å; V88-V112 HydrophobicContact CG2-CG2 4.24Å; V88-L141 HydrophobicContact CG1-CD1 3.72Å; V88-I145 HydrophobicContact CG1-CD1 4.13Å; V88-I145 HydrophobicContact CG1-CG1 4.49Å; V88-I203 HydrophobicContact CG1-CD1 4.31Å; V88-I203 HydrophobicContact CG1-CG2 4.16Å; V88-I203 HydrophobicContact CG2-CG2 4.09Å; V88-M234 VanDerWaalsContact O-CE 3.25Å; V88-M234 WeakPolarHBondContact O-CE 3.39Å
89	S	98.7	Very high	97.8	Very high	4 Å²	4	28.5 Å²	28.5	3%	0.028	16%	0.16	C	C	.	.			trans	-153.4	147.9	-178.3	-166.6	0	0	0	0	110.8	V61 N91 V112 S113	V61-S89 WeakPolarHBondContact O-CB 3.2Å; V61-S89 PolarHBondContact O-OG 2.99Å; S89-N91 VanDerWaalsContact C-N 3.28Å; S89-N91 PolarHBondContact O-N 3.26Å; S89-N91 PolarHBondContact OG-O 2.93Å; S89-V112 PolarHBondContact N-O 3.42Å; S89-S113 WeakPolarHBondContact O-CA 3.42Å; S89-S113 WeakPolarHBondContact O-CB 3.48Å; S89-S113 PolarHBondContact O-OG 2.97Å
90	N	98.5	Very high	97.8	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.13	C	C	.	.	S	Bend	trans	-59.7	-41.6	-176.5	-171.7	48.3	0	0	0	112.8	F64 S114 Y115 Q138 F230	F64-N90 WeakPolarHBondContact CD2-ND2 3.39Å; F64-N90 WeakPolarHBondContact CE2-ND2 3.49Å; N90-S114 PolarHBondContact O-N 3.27Å; N90-S114 VanDerWaalsContact O-N 3.16Å; N90-S114 WeakPolarHBondContact OD1-CB 3.48Å; N90-S114 PolarHBondContact OD1-OG 2.97Å; N90-Y115 PolarHBondContact O-N 3.04Å; N90-Q138 PolarHBondContact ND2-NE2 2.79Å; N90-Q138 VanDerWaalsContact OD1-CG 3.3Å; N90-Q138 WeakPolarHBondContact OD1-CG 3.44Å; N90-Q138 PolarHBondContact OD1-NE2 2.83Å; N90-F230 HydrophobicContact CB-CD2 3.72Å; N90-F230 HydrophobicContact CB-CE2 3.58Å; N90-F230 HydrophobicContact CB-CG 4.35Å; N90-F230 HydrophobicContact CB-CZ 4.09Å; N90-F230 VanDerWaalsContact CG-CE2 3.47Å
91	N	97.8	Very high	97.8	Very high	8 Å²	8	20.2 Å²	20.2	4%	0.043	12%	0.12	C	C	.	.			trans	-138.2	165.5	-179.6	-52.6	112.2	0	0	0	109.5	G65 S89 Y115	G65-N91 PolarHBondContact N-OD1 2.94Å; S89-N91 VanDerWaalsContact C-N 3.28Å; S89-N91 PolarHBondContact O-N 3.26Å; S89-N91 PolarHBondContact OG-O 2.93Å; N91-Y115 PolarHBondContact ND2-O 2.97Å
92	A	96.4	Very high	97.8	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.106	C	C	.	.			trans	-96.6	25.7	174	0	0	0	0	0	113.6	L99 G100 L103 M111 N119 F122	A92-L99 HydrophobicContact CB-CB 4.31Å; A92-L99 CarbonylContact O-C 3.6Å; A92-G100 PolarHBondContact O-N 2.64Å; A92-L103 HydrophobicContact CB-CD1 3.69Å; A92-M111 HydrophobicContact CB-CE 3.92Å; A92-N119 PolarHBondContact O-ND2 3.12Å; A92-F122 HydrophobicContact CB-CB 4.45Å; A92-F122 HydrophobicContact CB-CD1 3.27Å; A92-F122 HydrophobicContact CB-CE1 3.64Å; A92-F122 HydrophobicContact CB-CG 4.04Å
93	G	95.8	Very high	97.8	Very high	7 Å²	7	18.6 Å²	18.6	7%	0.072	10%	0.104	C	C	.	.			trans	60.7	-136.8	-171	0	0	0	0	0	112.2
94	V	96.5	Very high	97.7	Very high	13 Å²	13	18.9 Å²	18.9	8%	0.079	10%	0.102	C	C	.	.	B	Isolated β-bridge	trans	-124	168.5	175.7	-60.7	0	0	0	0	109.9	L66 N96 F97 G100 E280	L66-V94 HydrophobicContact CD1-CG1 4.14Å; L66-V94 HydrophobicContact CD1-CG2 4.06Å; L66-V94 HydrophobicContact CD2-CG1 4.23Å; L66-V94 HydrophobicContact CD2-CG2 4.16Å; L66-V94 HydrophobicContact CG-CG1 4.3Å; V94-N96 PolarHBondContact O-N 2.76Å; V94-F97 HydrophobicContact CG2-CB 3.78Å; V94-F97 PolarHBondContact N-O 2.79Å; V94-F97 VanDerWaalsContact N-O 3.15Å; V94-F97 PolarHBondContact O-N 2.9Å; V94-F97 VanDerWaalsContact O-N 3.13Å; V94-G100 WeakPolarHBondContact O-CA 3.4Å; V94-E280 HydrophobicContact CG1-CG 4.05Å
95	D	95.2	Very high	97.7	Very high	56 Å²	56	19.6 Å²	19.6	30%	0.299	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.3	-34.2	-175	-64.4	-100.5	0	0	0	114.6	R104 N119 A120 E121	D95-R104 WeakPolarHBondContact O-CD 3.44Å; D95-R104 PolarHBondContact O-NE 2.79Å; D95-R104 PolarHBondContact O-NH1 2.76Å; D95-N119 WeakPolarHBondContact OD2-CA 3.35Å; D95-A120 WeakPolarHBondContact OD1-CB 3.38Å; D95-A120 PolarHBondContact OD1-N 3.33Å; D95-A120 PolarHBondContact OD2-N 2.75Å; D95-A120 VanDerWaalsContact OD2-N 3.17Å; D95-E121 PolarHBondContact OD1-N 2.77Å
96	N	96.2	Very high	97.7	Very high	73 Å²	73	24.9 Å²	24.9	39%	0.39	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122	19.8	-175.8	72.1	-20.8	0	0	0	115.7	V94 R104 R278	V94-N96 PolarHBondContact O-N 2.76Å; N96-R104 VanDerWaalsContact CB-NH1 3.3Å; N96-R278 PolarHBondContact ND2-NH1 3.37Å; N96-R278 VanDerWaalsContact OD1-CZ 3.24Å; N96-R278 PolarHBondContact OD1-NH1 3.33Å; N96-R278 PolarHBondContact OD1-NH2 2.89Å
97	F	97.6	Very high	97.7	Very high	14 Å²	14	23.9 Å²	23.9	6%	0.061	12%	0.118	C	C	.	.	B	Isolated β-bridge	trans	-157.8	151.3	176.2	-151.3	-120.7	0	0	0	112.7	L66 I69 E71 V94 E276 R278	L66-F97 HydrophobicContact CD1-CD1 4.31Å; L66-F97 HydrophobicContact CD2-CB 4.4Å; L66-F97 HydrophobicContact CD2-CD1 4.17Å; I69-F97 HydrophobicContact CD1-CD1 3.63Å; I69-F97 HydrophobicContact CD1-CE1 3.66Å; E71-F97 HydrophobicContact CB-CZ 4.13Å; V94-F97 HydrophobicContact CG2-CB 3.78Å; V94-F97 PolarHBondContact N-O 2.79Å; V94-F97 VanDerWaalsContact N-O 3.15Å; V94-F97 PolarHBondContact O-N 2.9Å; V94-F97 VanDerWaalsContact O-N 3.13Å; F97-E276 HydrophobicContact CE2-CB 4.47Å; F97-E276 HydrophobicContact CE2-CG 4.35Å; F97-E276 HydrophobicContact CZ-CB 3.94Å; F97-E276 HydrophobicContact CZ-CG 4.21Å; F97-R278 HydrophobicContact CD1-CB 4.04Å; F97-R278 HydrophobicContact CD1-CG 4.47Å; F97-R278 HydrophobicContact CE1-CB 3.86Å
98	G	97.4	Very high	97.7	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.021	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	-145.4	-172.6	0	0	0	0	0	111.8	G100 L101	G98-G100 PolarHBondContact O-N 2.77Å; G98-L101 WeakPolarHBondContact O-CB 3.47Å; G98-L101 WeakPolarHBondContact O-CG 3.3Å; G98-L101 PolarHBondContact O-N 3.08Å
99	L	98	Very high	97.7	Very high	4 Å²	4	29.1 Å²	29.1	2%	0.021	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.7	-176.5	-76.7	-179.5	0	0	0	114.6	V61 A92 L101 L102 L103 I108 M111	V61-L99 HydrophobicContact CB-CD1 4.15Å; V61-L99 HydrophobicContact CB-CD2 4.34Å; V61-L99 HydrophobicContact CB-CG 4.5Å; V61-L99 HydrophobicContact CG1-CD1 4.23Å; V61-L99 HydrophobicContact CG1-CD2 4.05Å; V61-L99 HydrophobicContact CG1-CG 4.11Å; V61-L99 HydrophobicContact CG2-CD2 4.13Å; A92-L99 HydrophobicContact CB-CB 4.31Å; A92-L99 CarbonylContact O-C 3.6Å; L99-L101 PolarHBondContact O-N 2.85Å; L99-L101 VanDerWaalsContact O-N 3.16Å; L99-L102 HydrophobicContact CD2-CD1 3.88Å; L99-L102 PolarHBondContact O-N 3.48Å; L99-L103 PolarHBondContact O-N 3.24Å; L99-I108 HydrophobicContact CD2-CD1 4.21Å; L99-M111 HydrophobicContact CD1-CE 4Å
100	G	97.7	Very high	97.7	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-56.8	-27.8	172.1	0	0	0	0	0	113.1	A92 V94 G98 L103 R104	A92-G100 PolarHBondContact O-N 2.64Å; V94-G100 WeakPolarHBondContact O-CA 3.4Å; G98-G100 PolarHBondContact O-N 2.77Å; G100-L103 PolarHBondContact O-N 3.46Å; G100-R104 WeakPolarHBondContact O-CG 3.37Å; G100-R104 PolarHBondContact O-N 2.71Å
101	L	98.1	Very high	97.7	Very high	21 Å²	21	32.3 Å²	32.3	11%	0.11	15%	0.152	C	C	.	.	H	α-helix	trans	-61.3	-45.9	172.4	-60.2	179.6	0	0	0	111.9	I74 D75 G98 L99 R104 S105	I74-L101 HydrophobicContact CG2-CB 4.39Å; I74-L101 HydrophobicContact CG2-CD1 4.22Å; D75-L101 WeakPolarHBondContact OD1-CD1 3.37Å; G98-L101 WeakPolarHBondContact O-CB 3.47Å; G98-L101 WeakPolarHBondContact O-CG 3.3Å; G98-L101 PolarHBondContact O-N 3.08Å; L99-L101 PolarHBondContact O-N 2.85Å; L99-L101 VanDerWaalsContact O-N 3.16Å; L101-R104 PolarHBondContact O-N 3.31Å; L101-S105 PolarHBondContact O-N 3.02Å; L101-S105 VanDerWaalsContact O-N 3.11Å; L101-S105 PolarHBondContact O-OG 3.16Å
102	L	98.4	Very high	97.7	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	15%	0.153	C	C	.	.	H	α-helix	trans	-75.6	-25.6	-179.5	-57.9	-175.9	0	0	0	112.8	I74 L77 L78 L99 S105 K106 Q107 I108	I74-L102 HydrophobicContact CG2-CD1 4.41Å; I74-L102 HydrophobicContact CG2-CG 4.15Å; L77-L102 HydrophobicContact CB-CD1 4.23Å; L77-L102 HydrophobicContact CB-CD2 4.04Å; L77-L102 HydrophobicContact CD1-CD1 3.93Å; L78-L102 HydrophobicContact CB-CD2 4.22Å; L99-L102 HydrophobicContact CD2-CD1 3.88Å; L99-L102 PolarHBondContact O-N 3.48Å; L102-S105 WeakPolarHBondContact CA-OG 3.37Å; L102-S105 PolarHBondContact O-OG 3.44Å; L102-K106 PolarHBondContact O-N 3.23Å; L102-Q107 HydrophobicContact CB-CB 4.43Å; L102-Q107 PolarHBondContact O-N 3.01Å; L102-I108 HydrophobicContact CB-CD1 3.73Å; L102-I108 HydrophobicContact CB-CG1 3.93Å
103	L	98.2	Very high	97.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.2	-48.8	167.9	-69.9	177	0	0	0	110.6	A92 L99 G100 S105 K106 I108 M111 F122 Q125 L131	A92-L103 HydrophobicContact CB-CD1 3.69Å; L99-L103 PolarHBondContact O-N 3.24Å; G100-L103 PolarHBondContact O-N 3.46Å; L103-S105 VanDerWaalsContact C-N 3.31Å; L103-S105 PolarHBondContact O-N 3Å; L103-K106 PolarHBondContact O-N 3.36Å; L103-I108 HydrophobicContact CD2-CB 4.14Å; L103-I108 HydrophobicContact CD2-CD1 4.1Å; L103-I108 HydrophobicContact CD2-CG2 4.42Å; L103-I108 HydrophobicContact CG-CD1 4.29Å; L103-M111 HydrophobicContact CD2-CG 4.47Å; L103-F122 HydrophobicContact CD1-CB 3.58Å; L103-F122 HydrophobicContact CD1-CD1 4.41Å; L103-F122 HydrophobicContact CD1-CD2 4.27Å; L103-F122 HydrophobicContact CD1-CG 3.85Å; L103-Q125 PolarHBondContact O-NE2 3.43Å; L103-L131 HydrophobicContact CD2-CD1 3.97Å; L103-L131 HydrophobicContact CD2-CD2 3.75Å
104	R	97.5	Very high	97.9	Very high	128 Å²	128	32 Å²	32	48%	0.483	15%	0.149	S	C	.	.	H	α-helix	trans	-61	-37.3	178.5	-73.1	-168.7	-57.3	-171.1	5	113	D95 N96 G100 L101 K106 E121	D95-R104 WeakPolarHBondContact O-CD 3.44Å; D95-R104 PolarHBondContact O-NE 2.79Å; D95-R104 PolarHBondContact O-NH1 2.76Å; N96-R104 VanDerWaalsContact CB-NH1 3.3Å; G100-R104 WeakPolarHBondContact O-CG 3.37Å; G100-R104 PolarHBondContact O-N 2.71Å; L101-R104 PolarHBondContact O-N 3.31Å; R104-K106 PolarHBondContact O-N 3.3Å; R104-E121 HydrophobicContact CG-CG 4.05Å
105	S	98.2	Very high	97.8	Very high	43 Å²	43	34.6 Å²	34.6	30%	0.301	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-1.1	175.4	64.2	0	0	0	0	114.1	L101 L102 L103 Q107	L101-S105 PolarHBondContact O-N 3.02Å; L101-S105 VanDerWaalsContact O-N 3.11Å; L101-S105 PolarHBondContact O-OG 3.16Å; L102-S105 WeakPolarHBondContact CA-OG 3.37Å; L102-S105 PolarHBondContact O-OG 3.44Å; L103-S105 VanDerWaalsContact C-N 3.31Å; L103-S105 PolarHBondContact O-N 3Å; S105-Q107 PolarHBondContact O-N 2.9Å; S105-Q107 VanDerWaalsContact OG-CG 3.31Å; S105-Q107 WeakPolarHBondContact OG-CG 3.23Å; S105-Q107 PolarHBondContact OG-OE1 2.81Å
106	K	98.3	Very high	97.4	Very high	113 Å²	113	32 Å²	32	49%	0.491	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	35.2	-178.9	-58.8	-179.4	175.2	-64.3	0	113.3	L102 L103 R104 E130	L102-K106 PolarHBondContact O-N 3.23Å; L103-K106 PolarHBondContact O-N 3.36Å; R104-K106 PolarHBondContact O-N 3.3Å; K106-E130 IonicContact NZ-OE2 2.78Å; K106-E130 PolarHBondContact NZ-OE2 2.97Å
107	Q	98.7	Very high	96.5	Very high	6 Å²	6	29.1 Å²	29.1	3%	0.028	13%	0.132	C	C	.	.			trans	-83.9	-22.7	177.6	-73.4	-179.4	-108.2	0	0	112.6	L77 V82 K83 G84 L85 L102 S105	L77-Q107 PolarHBondContact O-NE2 3.36Å; V82-Q107 WeakPolarHBondContact O-CB 3.43Å; V82-Q107 WeakPolarHBondContact O-CG 3.42Å; V82-Q107 PolarHBondContact O-NE2 3.29Å; K83-Q107 CarbonylContact C-O 3.56Å; K83-Q107 WeakPolarHBondContact CA-O 3.46Å; G84-Q107 PolarHBondContact N-O 2.88Å; L85-Q107 PolarHBondContact N-O 2.66Å; L102-Q107 HydrophobicContact CB-CB 4.43Å; L102-Q107 PolarHBondContact O-N 3.01Å; S105-Q107 PolarHBondContact O-N 2.9Å; S105-Q107 VanDerWaalsContact OG-CG 3.31Å; S105-Q107 WeakPolarHBondContact OG-CG 3.23Å; S105-Q107 PolarHBondContact OG-OE1 2.81Å
108	I	98.7	Very high	96	Very high	8 Å²	8	32.3 Å²	32.3	4%	0.041	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	128	179.7	-59	174.2	0	0	0	110	A87 L99 L102 L103 R110 M111 L131	A87-I108 HydrophobicContact CB-CD1 3.95Å; A87-I108 HydrophobicContact CB-CG1 4.3Å; A87-I108 HydrophobicContact CB-CG2 4.13Å; L99-I108 HydrophobicContact CD2-CD1 4.21Å; L102-I108 HydrophobicContact CB-CD1 3.73Å; L102-I108 HydrophobicContact CB-CG1 3.93Å; L103-I108 HydrophobicContact CD2-CB 4.14Å; L103-I108 HydrophobicContact CD2-CD1 4.1Å; L103-I108 HydrophobicContact CD2-CG2 4.42Å; L103-I108 HydrophobicContact CG-CD1 4.29Å; I108-R110 VanDerWaalsContact CG2-O 3.29Å; I108-R110 WeakPolarHBondContact CG2-O 3.16Å; I108-M111 HydrophobicContact CD1-SD 3.92Å; I108-M111 HydrophobicContact CG2-CG 4.13Å; I108-M111 HydrophobicContact CG2-SD 3.88Å; I108-L131 HydrophobicContact CB-CD1 4.43Å; I108-L131 HydrophobicContact CG2-CD1 3.89Å
109	K	98.7	Very high	95.9	Very high	108 Å²	108	32.3 Å²	32.3	47%	0.47	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-39.1	170.2	173.3	-173.9	171.3	-171.1	0	111.7	L85 E132	L85-K109 PolarHBondContact O-N 2.98Å; K109-E132 WeakPolarHBondContact CE-OE1 3.27Å; K109-E132 WeakPolarHBondContact O-CB 3.49Å; K109-E132 PolarHBondContact O-N 2.81Å
110	R	98.8	Very high	95.7	Very high	72 Å²	72	35 Å²	35	27%	0.272	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	135.1	-174.6	-177.5	177.8	-69.2	-172.6	-0.7	111.8	L85 T86 A87 I108 E132	L85-R110 PolarHBondContact O-N 3.48Å; L85-R110 VanDerWaalsContact O-N 3.12Å; T86-R110 CarbonylContact C-O 3.58Å; T86-R110 WeakPolarHBondContact CA-O 3.41Å; T86-R110 HydrophobicContact CG2-CB 4.11Å; T86-R110 HydrophobicContact CG2-CG 4.11Å; A87-R110 PolarHBondContact N-O 3.27Å; I108-R110 VanDerWaalsContact CG2-O 3.29Å; I108-R110 WeakPolarHBondContact CG2-O 3.16Å; R110-E132 CarbonylContact C-O 3.59Å; R110-E132 VanDerWaalsContact CA-O 3.27Å; R110-E132 WeakPolarHBondContact CA-O 3.3Å; R110-E132 HydrophobicContact CB-CB 3.93Å; R110-E132 HydrophobicContact CG-CB 3.92Å; R110-E132 IonicContact CZ-OE2 3.19Å; R110-E132 IonicContact NE-OE2 3.51Å; R110-E132 PolarHBondContact NE-OE2 3.12Å; R110-E132 IonicContact NH2-OE2 2.68Å; R110-E132 PolarHBondContact NH2-OE2 2.87Å
111	M	98.7	Very high	95.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	134	167.1	-69.5	-66.9	-59	0	0	109.9	A87 A92 L99 L103 I108 S113 F122 L131 E132 V133 E134	A87-M111 HydrophobicContact CB-SD 3.75Å; A87-M111 WeakPolarHBondContact O-CA 3.42Å; A92-M111 HydrophobicContact CB-CE 3.92Å; L99-M111 HydrophobicContact CD1-CE 4Å; L103-M111 HydrophobicContact CD2-CG 4.47Å; I108-M111 HydrophobicContact CD1-SD 3.92Å; I108-M111 HydrophobicContact CG2-CG 4.13Å; I108-M111 HydrophobicContact CG2-SD 3.88Å; M111-S113 WeakPolarHBondContact CE-OG 3.22Å; M111-F122 HydrophobicContact CB-CE2 4.18Å; M111-F122 HydrophobicContact CB-CZ 3.87Å; M111-F122 HydrophobicContact CE-CE1 4.44Å; M111-F122 HydrophobicContact CG-CE2 3.95Å; M111-F122 HydrophobicContact CG-CZ 3.87Å; M111-L131 HydrophobicContact CG-CD1 4.29Å; M111-L131 HydrophobicContact CG-CD2 4.04Å; M111-E132 PolarHBondContact N-O 2.61Å; M111-V133 CarbonylContact O-C 3.56Å; M111-V133 WeakPolarHBondContact O-CA 3.32Å; M111-E134 PolarHBondContact O-N 3.33Å
112	V	98.7	Very high	95.6	Very high	9 Å²	9	35.8 Å²	35.8	6%	0.055	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	105	164.2	-175.3	0	0	0	0	106.7	T86 A87 V88 S89 E134 T136 L141 I203	T86-V112 HydrophobicContact CG2-CG2 4.29Å; A87-V112 PolarHBondContact O-N 3.15Å; V88-V112 HydrophobicContact CB-CB 4.44Å; V88-V112 HydrophobicContact CG1-CB 4.25Å; V88-V112 HydrophobicContact CG1-CG1 4.46Å; V88-V112 HydrophobicContact CG2-CB 4.14Å; V88-V112 HydrophobicContact CG2-CG2 4.24Å; S89-V112 PolarHBondContact N-O 3.42Å; V112-E134 HydrophobicContact CG1-CB 4.38Å; V112-E134 HydrophobicContact CG2-CB 4.22Å; V112-T136 WeakPolarHBondContact CG1-OG1 3.22Å; V112-L141 HydrophobicContact CG1-CD1 4.07Å; V112-I203 HydrophobicContact CG1-CD1 4.32Å
113	S	98.4	Very high	95.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	156	-166	-62.9	0	0	0	0	112.3	S89 M111 E134 L135 T136	S89-S113 WeakPolarHBondContact O-CA 3.42Å; S89-S113 WeakPolarHBondContact O-CB 3.48Å; S89-S113 PolarHBondContact O-OG 2.97Å; M111-S113 WeakPolarHBondContact CE-OG 3.22Å; S113-E134 PolarHBondContact N-O 3.37Å; S113-E134 VanDerWaalsContact N-O 3.16Å; S113-L135 CarbonylContact O-C 3.52Å; S113-L135 VanDerWaalsContact O-CA 3.32Å; S113-L135 WeakPolarHBondContact O-CA 3.49Å; S113-T136 PolarHBondContact O-N 2.82Å
114	S	97.9	Very high	95.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.203	C	C	.	.	S	Bend	trans	-90.5	-29.6	176.2	77.7	0	0	0	0	113.4	N90 T136 Q138 G422 M423 G424	N90-S114 PolarHBondContact O-N 3.27Å; N90-S114 VanDerWaalsContact O-N 3.16Å; N90-S114 WeakPolarHBondContact OD1-CB 3.48Å; N90-S114 PolarHBondContact OD1-OG 2.97Å; S114-T136 WeakPolarHBondContact CA-O 3.42Å; S114-T136 WeakPolarHBondContact CB-O 3.32Å; S114-Q138 PolarHBondContact OG-NE2 3.39Å; S114-G422 CarbonylContact O-C 3.33Å; S114-M423 PolarHBondContact O-N 3.49Å; S114-G424 PolarHBondContact O-N 2.88Å
115	Y	94	Very high	95.1	Very high	66 Å²	66	37.3 Å²	37.3	26%	0.259	18%	0.18	S	C	.	.			trans	-151.6	124.3	-174.5	-163.7	-109	0	0	0	111.7	N90 N91 G117 K421 G422	N90-Y115 PolarHBondContact O-N 3.04Å; N91-Y115 PolarHBondContact ND2-O 2.97Å; Y115-G117 VanDerWaalsContact C-N 3.33Å; Y115-G117 VanDerWaalsContact CD1-CA 3.46Å; Y115-G117 VanDerWaalsContact CE1-CA 3.48Å; Y115-K421 CarbonylContact C-O 3.54Å; Y115-K421 VanDerWaalsContact CA-O 3.32Å; Y115-K421 WeakPolarHBondContact CA-O 3.37Å; Y115-K421 HydrophobicContact CD2-CB 4.27Å; Y115-K421 WeakPolarHBondContact CD2-O 3.4Å; Y115-K421 HydrophobicContact CE2-CB 3.59Å; Y115-K421 WeakPolarHBondContact OH-CD 3.4Å; Y115-G422 WeakPolarHBondContact CD2-O 3.47Å
116	V	88	Confident	95	Very high	2 Å²	2	35.3 Å²	35.3	1%	0.012	17%	0.166	C	C	.	.			trans	-62.1	-40.5	177.1	175.3	0	0	0	0	110.9	F122 E123 L135 K421	V116-F122 HydrophobicContact CB-CD1 4.02Å; V116-F122 HydrophobicContact CB-CE1 4.03Å; V116-F122 HydrophobicContact CG1-CB 4.09Å; V116-F122 HydrophobicContact CG1-CD1 3.55Å; V116-F122 HydrophobicContact CG1-CD2 4.38Å; V116-F122 HydrophobicContact CG1-CE1 4.04Å; V116-F122 HydrophobicContact CG1-CG 3.75Å; V116-F122 HydrophobicContact CG2-CD1 4.3Å; V116-F122 HydrophobicContact CG2-CE1 3.93Å; V116-F122 HydrophobicContact CG2-CE2 4.41Å; V116-F122 HydrophobicContact CG2-CZ 3.98Å; V116-E123 HydrophobicContact CG1-CB 4.27Å; V116-L135 HydrophobicContact CG2-CD2 4.34Å; V116-K421 PolarHBondContact N-O 2.58Å
117	G	77.2	Confident	94.7	Very high	12 Å²	12	33.6 Å²	33.6	12%	0.124	16%	0.162	C	C	.	.			trans	78.4	-149.6	173.9	0	0	0	0	0	114.7	Y115 N119	Y115-G117 VanDerWaalsContact C-N 3.33Å; Y115-G117 VanDerWaalsContact CD1-CA 3.46Å; Y115-G117 VanDerWaalsContact CE1-CA 3.48Å; G117-N119 VanDerWaalsContact C-N 3.32Å; G117-N119 PolarHBondContact O-N 2.84Å
118	E	87.1	Confident	94.5	Very high	81 Å²	81	35 Å²	35	38%	0.379	17%	0.173	S	C	.	.	S	Bend	trans	-96.3	57.2	178.5	-57	-60.4	141.9	0	0	109.8	R281 K421	E118-R281 VanDerWaalsContact CG-NH2 3.29Å; E118-R281 IonicContact OE1-NH2 3.5Å; E118-R281 PolarHBondContact OE1-NH2 2.7Å; E118-R281 IonicContact OE2-NH2 3.26Å; E118-K421 IonicContact OE1-NZ 3.72Å; E118-K421 PolarHBondContact OE1-NZ 3.41Å
119	N	94	Very high	94.3	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.011	18%	0.177	C	C	.	.			trans	-129.2	97.7	176.8	-172.8	-30.8	0	0	0	109.1	A92 D95 G117 E121 F122 E123	A92-N119 PolarHBondContact O-ND2 3.12Å; D95-N119 WeakPolarHBondContact OD2-CA 3.35Å; G117-N119 VanDerWaalsContact C-N 3.32Å; G117-N119 PolarHBondContact O-N 2.84Å; N119-E121 VanDerWaalsContact C-N 3.34Å; N119-E121 PolarHBondContact OD1-N 3.39Å; N119-F122 HydrophobicContact CB-CB 3.82Å; N119-F122 WeakPolarHBondContact O-CB 3.44Å; N119-F122 PolarHBondContact O-N 3.11Å; N119-F122 PolarHBondContact OD1-N 3.04Å; N119-E123 PolarHBondContact O-N 2.76Å
120	A	94.8	Very high	94.3	Very high	62 Å²	62	34.2 Å²	34.2	51%	0.512	17%	0.174	S	C	.	.	H	α-helix	trans	-69.1	-34.2	-175.4	0	0	0	0	0	111.8	D95 F122 E123 R124	D95-A120 WeakPolarHBondContact OD1-CB 3.38Å; D95-A120 PolarHBondContact OD1-N 3.33Å; D95-A120 PolarHBondContact OD2-N 2.75Å; D95-A120 VanDerWaalsContact OD2-N 3.17Å; A120-F122 VanDerWaalsContact C-N 3.34Å; A120-E123 PolarHBondContact O-N 3.32Å; A120-R124 VanDerWaalsContact O-CB 3.25Å; A120-R124 WeakPolarHBondContact O-CB 3.42Å; A120-R124 PolarHBondContact O-N 2.88Å
121	E	96.4	Very high	94.2	Very high	36 Å²	36	30.8 Å²	30.8	17%	0.168	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-37.1	174.6	-179.3	59.6	-168.7	0	0	112.3	D95 R104 N119 R124 Q125	D95-E121 PolarHBondContact OD1-N 2.77Å; R104-E121 HydrophobicContact CG-CG 4.05Å; N119-E121 VanDerWaalsContact C-N 3.34Å; N119-E121 PolarHBondContact OD1-N 3.39Å; E121-R124 PolarHBondContact O-N 3.48Å; E121-R124 IonicContact OE1-CZ 3.62Å; E121-R124 IonicContact OE1-NE 2.69Å; E121-R124 IonicContact OE1-NH2 3.15Å; E121-R124 PolarHBondContact OE1-NH2 3.01Å; E121-R124 IonicContact OE2-CZ 2.76Å; E121-R124 IonicContact OE2-NE 3Å; E121-R124 PolarHBondContact OE2-NE 3.15Å; E121-R124 IonicContact OE2-NH2 2.62Å; E121-Q125 HydrophobicContact CG-CG 4.45Å; E121-Q125 WeakPolarHBondContact O-CB 3.25Å; E121-Q125 WeakPolarHBondContact O-CG 3.46Å; E121-Q125 PolarHBondContact O-N 2.85Å; E121-Q125 WeakPolarHBondContact OE1-CG 3.46Å; E121-Q125 PolarHBondContact OE1-NE2 2.8Å
122	F	96	Very high	94.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-60.5	-54	173	-174	-176.9	0	0	0	110.4	A92 L103 M111 V116 N119 A120 R124 Q125 Y126 L131 V133	A92-F122 HydrophobicContact CB-CB 4.45Å; A92-F122 HydrophobicContact CB-CD1 3.27Å; A92-F122 HydrophobicContact CB-CE1 3.64Å; A92-F122 HydrophobicContact CB-CG 4.04Å; L103-F122 HydrophobicContact CD1-CB 3.58Å; L103-F122 HydrophobicContact CD1-CD1 4.41Å; L103-F122 HydrophobicContact CD1-CD2 4.27Å; L103-F122 HydrophobicContact CD1-CG 3.85Å; M111-F122 HydrophobicContact CB-CE2 4.18Å; M111-F122 HydrophobicContact CB-CZ 3.87Å; M111-F122 HydrophobicContact CE-CE1 4.44Å; M111-F122 HydrophobicContact CG-CE2 3.95Å; M111-F122 HydrophobicContact CG-CZ 3.87Å; V116-F122 HydrophobicContact CB-CD1 4.02Å; V116-F122 HydrophobicContact CB-CE1 4.03Å; V116-F122 HydrophobicContact CG1-CB 4.09Å; V116-F122 HydrophobicContact CG1-CD1 3.55Å; V116-F122 HydrophobicContact CG1-CD2 4.38Å; V116-F122 HydrophobicContact CG1-CE1 4.04Å; V116-F122 HydrophobicContact CG1-CG 3.75Å; V116-F122 HydrophobicContact CG2-CD1 4.3Å; V116-F122 HydrophobicContact CG2-CE1 3.93Å; V116-F122 HydrophobicContact CG2-CE2 4.41Å; V116-F122 HydrophobicContact CG2-CZ 3.98Å; N119-F122 HydrophobicContact CB-CB 3.82Å; N119-F122 WeakPolarHBondContact O-CB 3.44Å; N119-F122 PolarHBondContact O-N 3.11Å; N119-F122 PolarHBondContact OD1-N 3.04Å; A120-F122 VanDerWaalsContact C-N 3.34Å; F122-R124 VanDerWaalsContact C-N 3.31Å; F122-R124 PolarHBondContact O-N 2.79Å; F122-Q125 PolarHBondContact O-N 2.87Å; F122-Y126 WeakPolarHBondContact O-CB 3.39Å; F122-Y126 PolarHBondContact O-N 3.48Å; F122-L131 HydrophobicContact CD2-CD2 3.39Å; F122-L131 HydrophobicContact CE2-CD2 3.44Å; F122-L131 VanDerWaalsContact CE2-CD2 3.44Å; F122-V133 HydrophobicContact CE2-CG1 4.1Å; F122-V133 HydrophobicContact CE2-CG2 3.57Å; F122-V133 HydrophobicContact CZ-CG1 3.97Å; F122-V133 HydrophobicContact CZ-CG2 4.27Å
123	E	93.8	Very high	94.2	Very high	56 Å²	56	30.8 Å²	30.8	26%	0.262	16%	0.16	S	C	.	.	H	α-helix	trans	-58.1	-43.8	178.2	-176.8	169	-153.4	0	0	111.5	V116 N119 A120 Y126 L127	V116-E123 HydrophobicContact CG1-CB 4.27Å; N119-E123 PolarHBondContact O-N 2.76Å; A120-E123 PolarHBondContact O-N 3.32Å; E123-Y126 PolarHBondContact O-N 3.38Å; E123-L127 HydrophobicContact CG-CD1 3.79Å; E123-L127 HydrophobicContact CG-CG 4.32Å; E123-L127 WeakPolarHBondContact O-CB 3.47Å; E123-L127 WeakPolarHBondContact O-CG 3.46Å; E123-L127 PolarHBondContact O-N 2.98Å
124	R	94.8	Very high	94.1	Very high	103 Å²	103	32.2 Å²	32.2	39%	0.389	17%	0.167	S	C	.	.	H	α-helix	trans	-60	-50.6	178.4	-169.3	-157.8	68.4	69.7	0.9	112.3	A120 E121 F122 Y126 L127 S128 E130	A120-R124 VanDerWaalsContact O-CB 3.25Å; A120-R124 WeakPolarHBondContact O-CB 3.42Å; A120-R124 PolarHBondContact O-N 2.88Å; E121-R124 PolarHBondContact O-N 3.48Å; E121-R124 IonicContact OE1-CZ 3.62Å; E121-R124 IonicContact OE1-NE 2.69Å; E121-R124 IonicContact OE1-NH2 3.15Å; E121-R124 PolarHBondContact OE1-NH2 3.01Å; E121-R124 IonicContact OE2-CZ 2.76Å; E121-R124 IonicContact OE2-NE 3Å; E121-R124 PolarHBondContact OE2-NE 3.15Å; E121-R124 IonicContact OE2-NH2 2.62Å; F122-R124 VanDerWaalsContact C-N 3.31Å; F122-R124 PolarHBondContact O-N 2.79Å; R124-Y126 VanDerWaalsContact C-N 3.32Å; R124-Y126 PolarHBondContact O-N 2.92Å; R124-L127 PolarHBondContact O-N 3.15Å; R124-S128 VanDerWaalsContact O-CB 3.31Å; R124-S128 WeakPolarHBondContact O-CB 3.49Å; R124-S128 PolarHBondContact O-N 3.47Å; R124-S128 PolarHBondContact O-OG 3.46Å; R124-E130 IonicContact CZ-OE1 3.65Å; R124-E130 IonicContact CZ-OE2 3.86Å; R124-E130 IonicContact NH1-OE1 3.19Å; R124-E130 PolarHBondContact NH1-OE1 3.01Å; R124-E130 IonicContact NH1-OE2 2.82Å; R124-E130 IonicContact NH2-OE1 2.63Å; R124-E130 IonicContact NH2-OE2 2.69Å; R124-E130 PolarHBondContact NH2-OE2 2.77Å
125	Q	96.5	Very high	94.1	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.019	17%	0.17	C	C	.	.	H	α-helix	trans	-65.3	-35.4	-179.2	-74.1	-170.3	22.3	0	0	112.7	L103 E121 F122 S128 G129 E130 L131	L103-Q125 PolarHBondContact O-NE2 3.43Å; E121-Q125 HydrophobicContact CG-CG 4.45Å; E121-Q125 WeakPolarHBondContact O-CB 3.25Å; E121-Q125 WeakPolarHBondContact O-CG 3.46Å; E121-Q125 PolarHBondContact O-N 2.85Å; E121-Q125 WeakPolarHBondContact OE1-CG 3.46Å; E121-Q125 PolarHBondContact OE1-NE2 2.8Å; F122-Q125 PolarHBondContact O-N 2.87Å; Q125-S128 PolarHBondContact O-OG 3.26Å; Q125-G129 PolarHBondContact O-N 2.84Å; Q125-E130 HydrophobicContact CB-CB 4.15Å; Q125-E130 HydrophobicContact CG-CB 4.34Å; Q125-E130 PolarHBondContact O-N 2.84Å; Q125-L131 HydrophobicContact CB-CB 3.77Å; Q125-L131 HydrophobicContact CB-CD2 4.37Å; Q125-L131 PolarHBondContact O-N 2.89Å; Q125-L131 VanDerWaalsContact O-N 3.11Å
126	Y	95.1	Very high	94.3	Very high	1 Å²	1	29.8 Å²	29.8	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-67.2	-52.2	176.8	176.5	-144.1	0	0	0	111	F122 E123 R124 S128 G129 V133 P171 Y174 V420	F122-Y126 WeakPolarHBondContact O-CB 3.39Å; F122-Y126 PolarHBondContact O-N 3.48Å; E123-Y126 PolarHBondContact O-N 3.38Å; R124-Y126 VanDerWaalsContact C-N 3.32Å; R124-Y126 PolarHBondContact O-N 2.92Å; Y126-S128 VanDerWaalsContact C-N 3.28Å; Y126-S128 PolarHBondContact O-N 3.15Å; Y126-G129 PolarHBondContact O-N 2.88Å; Y126-G129 VanDerWaalsContact O-N 3.11Å; Y126-V133 HydrophobicContact CD1-CB 4.45Å; Y126-V133 HydrophobicContact CD1-CG2 4.14Å; Y126-V133 HydrophobicContact CD2-CB 3.76Å; Y126-V133 HydrophobicContact CD2-CG2 3.33Å; Y126-V133 HydrophobicContact CE1-CB 4.39Å; Y126-V133 HydrophobicContact CE2-CB 3.7Å; Y126-V133 HydrophobicContact CE2-CG2 3.86Å; Y126-V133 HydrophobicContact CG-CB 4.14Å; Y126-V133 HydrophobicContact CG-CG2 3.49Å; Y126-V133 VanDerWaalsContact CG-CG2 3.49Å; Y126-P171 PolarHBondContact OH-O 2.95Å; Y126-Y174 HydrophobicContact CD1-CE2 4.44Å; Y126-Y174 AromaticContact CD2-CD2 3.98Å; Y126-Y174 HydrophobicContact CD2-CD2 3.98Å; Y126-Y174 HydrophobicContact CD2-CE2 4.11Å; Y126-Y174 AromaticContact CE1-CE2 3.94Å; Y126-Y174 HydrophobicContact CE1-CE2 3.94Å; Y126-Y174 AromaticContact CE2-CD2 3.75Å; Y126-Y174 HydrophobicContact CE2-CD2 3.75Å; Y126-Y174 AromaticContact CE2-CE2 3.58Å; Y126-Y174 HydrophobicContact CE2-CE2 3.58Å; Y126-Y174 AromaticContact CZ-CE2 3.49Å; Y126-Y174 VanDerWaalsContact CZ-CE2 3.49Å; Y126-Y174 WeakPolarHBondContact O-CD2 3.28Å; Y126-V420 HydrophobicContact CE1-CB 4.28Å; Y126-V420 HydrophobicContact CE1-CG1 3.64Å
127	L	92.5	Very high	94.8	Very high	78 Å²	78	29.7 Å²	29.7	41%	0.408	16%	0.158	S	C	.	.	H	α-helix	trans	-66.6	-27.1	-179.5	-65.8	177.8	0	0	0	113.1	E123 R124 G129 Y174	E123-L127 HydrophobicContact CG-CD1 3.79Å; E123-L127 HydrophobicContact CG-CG 4.32Å; E123-L127 WeakPolarHBondContact O-CB 3.47Å; E123-L127 WeakPolarHBondContact O-CG 3.46Å; E123-L127 PolarHBondContact O-N 2.98Å; R124-L127 PolarHBondContact O-N 3.15Å; L127-G129 VanDerWaalsContact C-N 3.33Å; L127-Y174 HydrophobicContact CD2-CE2 4.17Å
128	S	94.5	Very high	95.9	Very high	36 Å²	36	29.2 Å²	29.2	25%	0.252	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.8	175	73.9	0	0	0	0	114.4	R124 Q125 Y126 E130	R124-S128 VanDerWaalsContact O-CB 3.31Å; R124-S128 WeakPolarHBondContact O-CB 3.49Å; R124-S128 PolarHBondContact O-N 3.47Å; R124-S128 PolarHBondContact O-OG 3.46Å; Q125-S128 PolarHBondContact O-OG 3.26Å; Y126-S128 VanDerWaalsContact C-N 3.28Å; Y126-S128 PolarHBondContact O-N 3.15Å; S128-E130 VanDerWaalsContact OG-CG 3.32Å; S128-E130 WeakPolarHBondContact OG-CG 3.47Å; S128-E130 PolarHBondContact OG-OE1 2.85Å
129	G	95.2	Very high	96.4	Very high	12 Å²	12	25.4 Å²	25.4	12%	0.124	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	81	10.1	-177.6	0	0	0	0	0	115.1	Q125 Y126 L127 K173 Y174	Q125-G129 PolarHBondContact O-N 2.84Å; Y126-G129 PolarHBondContact O-N 2.88Å; Y126-G129 VanDerWaalsContact O-N 3.11Å; L127-G129 VanDerWaalsContact C-N 3.33Å; G129-K173 WeakPolarHBondContact O-CE 3.37Å; G129-Y174 WeakPolarHBondContact CA-O 3.13Å
130	E	96.9	Very high	96.7	Very high	86 Å²	86	25.3 Å²	25.3	40%	0.402	13%	0.134	S	C	.	.	S	Bend	trans	-74.3	-28.6	176.3	-72.1	165.6	-128.3	0	0	112.3	K106 R124 Q125 S128	K106-E130 IonicContact NZ-OE2 2.78Å; K106-E130 PolarHBondContact NZ-OE2 2.97Å; R124-E130 IonicContact CZ-OE1 3.65Å; R124-E130 IonicContact CZ-OE2 3.86Å; R124-E130 IonicContact NH1-OE1 3.19Å; R124-E130 PolarHBondContact NH1-OE1 3.01Å; R124-E130 IonicContact NH1-OE2 2.82Å; R124-E130 IonicContact NH2-OE1 2.63Å; R124-E130 IonicContact NH2-OE2 2.69Å; R124-E130 PolarHBondContact NH2-OE2 2.77Å; Q125-E130 HydrophobicContact CB-CB 4.15Å; Q125-E130 HydrophobicContact CG-CB 4.34Å; Q125-E130 PolarHBondContact O-N 2.84Å; S128-E130 VanDerWaalsContact OG-CG 3.32Å; S128-E130 WeakPolarHBondContact OG-CG 3.47Å; S128-E130 PolarHBondContact OG-OE1 2.85Å
131	L	97.9	Very high	96.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.	S	Bend	trans	-123.5	138.5	-174.3	-177.6	72.9	0	0	0	111.7	L103 I108 M111 F122 Q125 V133	L103-L131 HydrophobicContact CD2-CD1 3.97Å; L103-L131 HydrophobicContact CD2-CD2 3.75Å; I108-L131 HydrophobicContact CB-CD1 4.43Å; I108-L131 HydrophobicContact CG2-CD1 3.89Å; M111-L131 HydrophobicContact CG-CD1 4.29Å; M111-L131 HydrophobicContact CG-CD2 4.04Å; F122-L131 HydrophobicContact CD2-CD2 3.39Å; F122-L131 HydrophobicContact CE2-CD2 3.44Å; F122-L131 VanDerWaalsContact CE2-CD2 3.44Å; Q125-L131 HydrophobicContact CB-CB 3.77Å; Q125-L131 HydrophobicContact CB-CD2 4.37Å; Q125-L131 PolarHBondContact O-N 2.89Å; Q125-L131 VanDerWaalsContact O-N 3.11Å; L131-V133 HydrophobicContact CD2-CG2 4Å; L131-V133 HydrophobicContact CG-CG2 4.11Å
132	E	98.4	Very high	97	Very high	10 Å²	10	20.6 Å²	20.6	5%	0.047	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	136.2	169.7	-63.9	170.5	-163	0	0	110.3	K109 R110 M111 I172 K173	K109-E132 WeakPolarHBondContact CE-OE1 3.27Å; K109-E132 WeakPolarHBondContact O-CB 3.49Å; K109-E132 PolarHBondContact O-N 2.81Å; R110-E132 CarbonylContact C-O 3.59Å; R110-E132 VanDerWaalsContact CA-O 3.27Å; R110-E132 WeakPolarHBondContact CA-O 3.3Å; R110-E132 HydrophobicContact CB-CB 3.93Å; R110-E132 HydrophobicContact CG-CB 3.92Å; R110-E132 IonicContact CZ-OE2 3.19Å; R110-E132 IonicContact NE-OE2 3.51Å; R110-E132 PolarHBondContact NE-OE2 3.12Å; R110-E132 IonicContact NH2-OE2 2.68Å; R110-E132 PolarHBondContact NH2-OE2 2.87Å; M111-E132 PolarHBondContact N-O 2.61Å; E132-I172 CarbonylContact C-O 3.41Å; E132-I172 WeakPolarHBondContact CA-O 3.39Å; E132-I172 HydrophobicContact CB-CG2 4.12Å; E132-K173 HydrophobicContact CG-CB 4.11Å; E132-K173 HydrophobicContact CG-CD 3.82Å; E132-K173 HydrophobicContact CG-CG 4.1Å
133	V	97.9	Very high	97.1	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	110.6	-177.3	-171.1	0	0	0	0	111.2	M111 F122 Y126 L131 L135 I172	M111-V133 CarbonylContact O-C 3.56Å; M111-V133 WeakPolarHBondContact O-CA 3.32Å; F122-V133 HydrophobicContact CE2-CG1 4.1Å; F122-V133 HydrophobicContact CE2-CG2 3.57Å; F122-V133 HydrophobicContact CZ-CG1 3.97Å; F122-V133 HydrophobicContact CZ-CG2 4.27Å; Y126-V133 HydrophobicContact CD1-CB 4.45Å; Y126-V133 HydrophobicContact CD1-CG2 4.14Å; Y126-V133 HydrophobicContact CD2-CB 3.76Å; Y126-V133 HydrophobicContact CD2-CG2 3.33Å; Y126-V133 HydrophobicContact CE1-CB 4.39Å; Y126-V133 HydrophobicContact CE2-CB 3.7Å; Y126-V133 HydrophobicContact CE2-CG2 3.86Å; Y126-V133 HydrophobicContact CG-CB 4.14Å; Y126-V133 HydrophobicContact CG-CG2 3.49Å; Y126-V133 VanDerWaalsContact CG-CG2 3.49Å; L131-V133 HydrophobicContact CD2-CG2 4Å; L131-V133 HydrophobicContact CG-CG2 4.11Å; V133-L135 HydrophobicContact CG1-CD2 3.84Å; V133-L135 HydrophobicContact CG1-CG 4.12Å; V133-I172 PolarHBondContact N-O 3.09Å; V133-I172 WeakPolarHBondContact O-CA 3.18Å
134	E	98	Very high	97.4	Very high	30 Å²	30	20.2 Å²	20.2	14%	0.14	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	97.1	169.6	-172.5	178.1	144	0	0	109.6	M111 V112 S113 T136 R144 R187	M111-E134 PolarHBondContact O-N 3.33Å; V112-E134 HydrophobicContact CG1-CB 4.38Å; V112-E134 HydrophobicContact CG2-CB 4.22Å; S113-E134 PolarHBondContact N-O 3.37Å; S113-E134 VanDerWaalsContact N-O 3.16Å; E134-T136 PolarHBondContact O-N 2.8Å; E134-T136 PolarHBondContact O-OG1 3.46Å; E134-R144 IonicContact OE1-CZ 3.37Å; E134-R144 IonicContact OE1-NH1 3.91Å; E134-R144 PolarHBondContact OE1-NH1 3.19Å; E134-R144 VanDerWaalsContact OE1-NH1 3.07Å; E134-R144 IonicContact OE1-NH2 3.63Å; E134-R187 IonicContact OE1-NH2 3.66Å
135	L	97.4	Very high	97.6	Very high	11 Å²	11	15.3 Å²	15.3	6%	0.058	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	109.2	175.1	-65.6	175.1	0	0	0	110.2	S113 V116 V133 W413 M414 V420 M423	S113-L135 CarbonylContact O-C 3.52Å; S113-L135 VanDerWaalsContact O-CA 3.32Å; S113-L135 WeakPolarHBondContact O-CA 3.49Å; V116-L135 HydrophobicContact CG2-CD2 4.34Å; V133-L135 HydrophobicContact CG1-CD2 3.84Å; V133-L135 HydrophobicContact CG1-CG 4.12Å; L135-W413 HydrophobicContact CD1-CZ3 3.9Å; L135-M414 HydrophobicContact CD1-CE 4.42Å; L135-V420 HydrophobicContact CD1-CG1 3.96Å; L135-M423 HydrophobicContact CB-CE 4.25Å; L135-M423 HydrophobicContact CB-SD 4.22Å
136	T	98.6	Very high	97.7	Very high	4 Å²	4	20 Å²	20	3%	0.025	10%	0.098	C	C	.	.			trans	-117.4	126.6	-174.4	-55.6	0	0	0	0	109.7	V112 S113 S114 E134 Q138 T140 L141	V112-T136 WeakPolarHBondContact CG1-OG1 3.22Å; S113-T136 PolarHBondContact O-N 2.82Å; S114-T136 WeakPolarHBondContact CA-O 3.42Å; S114-T136 WeakPolarHBondContact CB-O 3.32Å; E134-T136 PolarHBondContact O-N 2.8Å; E134-T136 PolarHBondContact O-OG1 3.46Å; T136-Q138 PolarHBondContact O-N 3.47Å; T136-T140 HydrophobicContact CG2-CG2 4.11Å; T136-L141 HydrophobicContact CG2-CB 3.95Å; T136-L141 HydrophobicContact CG2-CD1 4.43Å
137	P	98.7	Very high	97.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.098	C	C	.	.			trans	-50.4	137	176	-27.7	35.7	0	0	0	112	G139 T140 L141 T159 V165 M423 M427	P137-G139 VanDerWaalsContact C-N 3.32Å; P137-G139 PolarHBondContact O-N 3.46Å; P137-T140 CarbonylContact O-C 3.58Å; P137-T140 WeakPolarHBondContact O-CA 3.44Å; P137-T140 WeakPolarHBondContact O-CB 3.19Å; P137-T140 PolarHBondContact O-N 3.4Å; P137-L141 PolarHBondContact O-N 3.32Å; P137-T159 HydrophobicContact CB-CG2 3.45Å; P137-T159 VanDerWaalsContact CB-CG2 3.45Å; P137-T159 HydrophobicContact CG-CG2 3.91Å; P137-V165 HydrophobicContact CG-CG1 4.32Å; P137-V165 HydrophobicContact CG-CG2 3.92Å; P137-M423 HydrophobicContact CB-CG 4.32Å; P137-M423 HydrophobicContact CG-CG 4.22Å; P137-M423 HydrophobicContact CG-SD 4.36Å; P137-M427 HydrophobicContact CB-CB 4.27Å; P137-M427 HydrophobicContact CG-CB 4.39Å; P137-M427 HydrophobicContact CG-SD 3.72Å
138	Q	98.8	Very high	98.1	Very high	2 Å²	2	17.1 Å²	17.1	1%	0.009	9%	0.087	C	C	.	.	H	α-helix	trans	-60.3	-41	-167	-172	173.9	113.5	0	0	113.1	N90 S114 T136 L141 A142 F230 E344 F386 G424	N90-Q138 PolarHBondContact ND2-NE2 2.79Å; N90-Q138 VanDerWaalsContact OD1-CG 3.3Å; N90-Q138 WeakPolarHBondContact OD1-CG 3.44Å; N90-Q138 PolarHBondContact OD1-NE2 2.83Å; S114-Q138 PolarHBondContact OG-NE2 3.39Å; T136-Q138 PolarHBondContact O-N 3.47Å; Q138-L141 WeakPolarHBondContact O-CB 3.36Å; Q138-L141 PolarHBondContact O-N 3.43Å; Q138-A142 PolarHBondContact O-N 3.13Å; Q138-F230 HydrophobicContact CG-CE2 3.93Å; Q138-F230 HydrophobicContact CG-CZ 3.71Å; Q138-E344 PolarHBondContact NE2-OE1 2.94Å; Q138-E344 PolarHBondContact OE1-OE1 3.42Å; Q138-F386 HydrophobicContact CB-CE1 4.35Å; Q138-F386 HydrophobicContact CB-CE2 3.93Å; Q138-F386 HydrophobicContact CB-CZ 3.61Å; Q138-F386 HydrophobicContact CG-CD2 4.46Å; Q138-F386 HydrophobicContact CG-CE2 3.46Å; Q138-F386 VanDerWaalsContact CG-CE2 3.46Å; Q138-F386 HydrophobicContact CG-CZ 3.59Å; Q138-G424 WeakPolarHBondContact CB-O 3.1Å; Q138-G424 PolarHBondContact N-O 2.98Å
139	G	98.8	Very high	98.3	Very high	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-69.7	-39.3	176.4	0	0	0	0	0	112.3	P137 L141 A142 E143 F386 R390 D428	P137-G139 VanDerWaalsContact C-N 3.32Å; P137-G139 PolarHBondContact O-N 3.46Å; G139-L141 VanDerWaalsContact C-N 3.32Å; G139-A142 PolarHBondContact O-N 2.85Å; G139-E143 WeakPolarHBondContact O-CB 3.49Å; G139-E143 PolarHBondContact O-N 3.22Å; G139-F386 VanDerWaalsContact CA-CB 3.41Å; G139-F386 VanDerWaalsContact CA-CD1 3.41Å; G139-F386 VanDerWaalsContact CA-CD2 3.44Å; G139-R390 VanDerWaalsContact CA-NH1 3.26Å; G139-R390 PolarHBondContact O-NH1 3.38Å; G139-D428 WeakPolarHBondContact CA-OD1 3.47Å; G139-D428 WeakPolarHBondContact CA-OD2 3.37Å; G139-D428 PolarHBondContact N-OD2 2.79Å
140	T	98.9	Very high	98.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.2	-42.4	173.6	-65	0	0	0	0	110.7	T136 P137 A142 E143 R144 E200	T136-T140 HydrophobicContact CG2-CG2 4.11Å; P137-T140 CarbonylContact O-C 3.58Å; P137-T140 WeakPolarHBondContact O-CA 3.44Å; P137-T140 WeakPolarHBondContact O-CB 3.19Å; P137-T140 PolarHBondContact O-N 3.4Å; T140-A142 PolarHBondContact O-N 3.47Å; T140-E143 PolarHBondContact O-N 2.82Å; T140-R144 HydrophobicContact CG2-CG 3.98Å; T140-R144 VanDerWaalsContact O-CB 3.31Å; T140-R144 WeakPolarHBondContact O-CB 3.42Å; T140-R144 WeakPolarHBondContact O-CG 3.41Å; T140-R144 PolarHBondContact O-N 3.4Å; T140-E200 HydrophobicContact CG2-CB 4.07Å; T140-E200 HydrophobicContact CG2-CG 3.55Å
141	L	98.9	Very high	98.6	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.2	-48.9	175.6	-178.8	62.1	0	0	0	111.2	V88 V112 T136 P137 Q138 G139 E143 R144 I145 I203 F230	V88-L141 HydrophobicContact CG1-CD1 3.72Å; V112-L141 HydrophobicContact CG1-CD1 4.07Å; T136-L141 HydrophobicContact CG2-CB 3.95Å; T136-L141 HydrophobicContact CG2-CD1 4.43Å; P137-L141 PolarHBondContact O-N 3.32Å; Q138-L141 WeakPolarHBondContact O-CB 3.36Å; Q138-L141 PolarHBondContact O-N 3.43Å; G139-L141 VanDerWaalsContact C-N 3.32Å; L141-E143 PolarHBondContact O-N 2.97Å; L141-R144 PolarHBondContact O-N 2.98Å; L141-I145 HydrophobicContact CD1-CD1 4.09Å; L141-I145 HydrophobicContact CG-CD1 4.07Å; L141-I145 WeakPolarHBondContact O-CD1 3.24Å; L141-I145 VanDerWaalsContact O-CG1 3.25Å; L141-I145 WeakPolarHBondContact O-CG1 3.39Å; L141-I145 PolarHBondContact O-N 3.3Å; L141-I145 VanDerWaalsContact O-N 3.11Å; L141-I203 HydrophobicContact CD1-CD1 3.88Å; L141-F230 HydrophobicContact CB-CE1 4.24Å; L141-F230 HydrophobicContact CD2-CE1 3.92Å; L141-F230 HydrophobicContact CD2-CZ 4.22Å; L141-F230 HydrophobicContact CG-CE1 3.84Å; L141-F230 HydrophobicContact CG-CZ 4.45Å
142	A	98.9	Very high	98.6	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.1	-42.4	179.2	0	0	0	0	0	112.1	Q138 G139 T140 I145 R146 F230 D383	Q138-A142 PolarHBondContact O-N 3.13Å; G139-A142 PolarHBondContact O-N 2.85Å; T140-A142 PolarHBondContact O-N 3.47Å; A142-I145 PolarHBondContact O-N 2.78Å; A142-R146 WeakPolarHBondContact O-CB 3.42Å; A142-R146 PolarHBondContact O-N 3.39Å; A142-F230 HydrophobicContact CB-CD1 4.44Å; A142-F230 HydrophobicContact CB-CE1 3.69Å; A142-F230 HydrophobicContact CB-CZ 4.03Å; A142-D383 HydrophobicContact CB-CB 4.27Å
143	E	98.9	Very high	98.6	Very high	25 Å²	25	25.2 Å²	25.2	12%	0.117	17%	0.166	C	C	.	.	H	α-helix	trans	-73.3	-37.3	-179	-163.2	65.5	-144.4	0	0	112.4	G139 T140 L141 I145 R146 A147 F155 R390	G139-E143 WeakPolarHBondContact O-CB 3.49Å; G139-E143 PolarHBondContact O-N 3.22Å; T140-E143 PolarHBondContact O-N 2.82Å; L141-E143 PolarHBondContact O-N 2.97Å; E143-I145 VanDerWaalsContact C-N 3.32Å; E143-I145 PolarHBondContact O-N 3.1Å; E143-R146 PolarHBondContact O-N 2.96Å; E143-R146 IonicContact OE1-CZ 3.81Å; E143-R146 IonicContact OE1-NE 3.55Å; E143-R146 IonicContact OE1-NH1 3.72Å; E143-R146 PolarHBondContact OE1-NH1 2.86Å; E143-A147 WeakPolarHBondContact O-CB 3.27Å; E143-A147 PolarHBondContact O-N 2.85Å; E143-F155 HydrophobicContact CB-CE1 4.06Å; E143-F155 HydrophobicContact CB-CE2 3.8Å; E143-F155 HydrophobicContact CB-CZ 3.45Å; E143-F155 VanDerWaalsContact CB-CZ 3.45Å; E143-F155 HydrophobicContact CG-CD1 4.22Å; E143-F155 HydrophobicContact CG-CD2 3.87Å; E143-F155 HydrophobicContact CG-CE1 3.84Å; E143-F155 HydrophobicContact CG-CE2 3.43Å; E143-F155 VanDerWaalsContact CG-CE2 3.43Å; E143-F155 HydrophobicContact CG-CG 4.26Å; E143-F155 HydrophobicContact CG-CZ 3.44Å; E143-F155 VanDerWaalsContact CG-CZ 3.44Å; E143-R390 IonicContact OE2-NH2 3.75Å; E143-R390 PolarHBondContact OE2-NH2 2.94Å
144	R	98.9	Very high	98.7	Very high	23 Å²	23	26.8 Å²	26.8	9%	0.087	18%	0.179	C	C	.	.	H	α-helix	trans	-60.1	-42.3	172.8	-71.8	173.2	68.1	-170.4	0.4	111.3	E134 T140 L141 G148 F155 E200 E201 A202 I203	E134-R144 IonicContact OE1-CZ 3.37Å; E134-R144 IonicContact OE1-NH1 3.91Å; E134-R144 PolarHBondContact OE1-NH1 3.19Å; E134-R144 VanDerWaalsContact OE1-NH1 3.07Å; E134-R144 IonicContact OE1-NH2 3.63Å; T140-R144 HydrophobicContact CG2-CG 3.98Å; T140-R144 VanDerWaalsContact O-CB 3.31Å; T140-R144 WeakPolarHBondContact O-CB 3.42Å; T140-R144 WeakPolarHBondContact O-CG 3.41Å; T140-R144 PolarHBondContact O-N 3.4Å; L141-R144 PolarHBondContact O-N 2.98Å; R144-G148 PolarHBondContact O-N 2.88Å; R144-G148 VanDerWaalsContact O-N 3.11Å; R144-F155 HydrophobicContact CB-CE1 4.38Å; R144-F155 HydrophobicContact CG-CE1 3.79Å; R144-F155 HydrophobicContact CG-CZ 3.97Å; R144-E200 HydrophobicContact CG-CB 4.1Å; R144-E201 WeakPolarHBondContact CG-O 3.39Å; R144-E201 PolarHBondContact NE-O 3.07Å; R144-A202 WeakPolarHBondContact O-CA 3.44Å; R144-I203 HydrophobicContact CB-CB 4.33Å; R144-I203 HydrophobicContact CB-CD1 3.86Å; R144-I203 HydrophobicContact CB-CG1 3.93Å; R144-I203 PolarHBondContact O-N 3.07Å
145	I	98.9	Very high	98.7	Very high	0 Å²	0	27 Å²	27	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-65.5	-50	175	-67.1	164.3	0	0	0	110.3	L60 V88 L141 A142 E143 A147 G148 G149 I203 F230 P233 M234 A237	L60-I145 HydrophobicContact CD1-CG2 4.28Å; V88-I145 HydrophobicContact CG1-CD1 4.13Å; V88-I145 HydrophobicContact CG1-CG1 4.49Å; L141-I145 HydrophobicContact CD1-CD1 4.09Å; L141-I145 HydrophobicContact CG-CD1 4.07Å; L141-I145 WeakPolarHBondContact O-CD1 3.24Å; L141-I145 VanDerWaalsContact O-CG1 3.25Å; L141-I145 WeakPolarHBondContact O-CG1 3.39Å; L141-I145 PolarHBondContact O-N 3.3Å; L141-I145 VanDerWaalsContact O-N 3.11Å; A142-I145 PolarHBondContact O-N 2.78Å; E143-I145 VanDerWaalsContact C-N 3.32Å; E143-I145 PolarHBondContact O-N 3.1Å; I145-A147 VanDerWaalsContact C-N 3.27Å; I145-A147 PolarHBondContact O-N 2.96Å; I145-G148 PolarHBondContact O-N 2.86Å; I145-G148 VanDerWaalsContact O-N 3.15Å; I145-G149 PolarHBondContact O-N 2.86Å; I145-I203 HydrophobicContact CG1-CB 4.27Å; I145-I203 HydrophobicContact CG1-CG2 4.32Å; I145-F230 HydrophobicContact CD1-CD1 4.06Å; I145-F230 HydrophobicContact CD1-CE1 4.36Å; I145-P233 HydrophobicContact CG2-CB 4.06Å; I145-M234 HydrophobicContact CD1-CE 3.58Å; I145-M234 HydrophobicContact CD1-CG 4.01Å; I145-M234 HydrophobicContact CG2-CB 4.42Å; I145-M234 HydrophobicContact CG2-CG 3.89Å; I145-A237 HydrophobicContact CG2-CB 3.72Å; I145-A237 VanDerWaalsContact O-CB 3.23Å; I145-A237 WeakPolarHBondContact O-CB 3.32Å
146	R	98.9	Very high	98.8	Very high	103 Å²	103	30 Å²	30	39%	0.389	19%	0.191	S	C	.	.	H	α-helix	trans	-55.6	-44.5	177	179.9	-168.7	158.4	-86.4	5.2	111.3	A142 E143 G148 G149 A150 D383	A142-R146 WeakPolarHBondContact O-CB 3.42Å; A142-R146 PolarHBondContact O-N 3.39Å; E143-R146 PolarHBondContact O-N 2.96Å; E143-R146 IonicContact OE1-CZ 3.81Å; E143-R146 IonicContact OE1-NE 3.55Å; E143-R146 IonicContact OE1-NH1 3.72Å; E143-R146 PolarHBondContact OE1-NH1 2.86Å; R146-G148 VanDerWaalsContact C-N 3.33Å; R146-G148 PolarHBondContact O-N 3.02Å; R146-G149 PolarHBondContact O-N 2.99Å; R146-A150 VanDerWaalsContact O-CB 3.24Å; R146-A150 WeakPolarHBondContact O-CB 3.17Å; R146-A150 PolarHBondContact O-N 2.83Å; R146-D383 HydrophobicContact CB-CB 4.11Å; R146-D383 WeakPolarHBondContact CD-OD2 3.24Å; R146-D383 HydrophobicContact CG-CB 4.48Å
147	A	98.9	Very high	98.8	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-60.3	-41.8	179.1	0	0	0	0	0	111.8	E143 I145 G149 A150 G151 V152 F155 A202	E143-A147 WeakPolarHBondContact O-CB 3.27Å; E143-A147 PolarHBondContact O-N 2.85Å; I145-A147 VanDerWaalsContact C-N 3.27Å; I145-A147 PolarHBondContact O-N 2.96Å; A147-G149 PolarHBondContact O-N 3.49Å; A147-A150 CarbonylContact O-C 3.49Å; A147-A150 PolarHBondContact O-N 3.11Å; A147-A150 VanDerWaalsContact O-N 3.1Å; A147-G151 PolarHBondContact O-N 2.85Å; A147-V152 CarbonylContact C-O 3.48Å; A147-V152 HydrophobicContact CB-CB 4.06Å; A147-V152 HydrophobicContact CB-CG1 4.32Å; A147-V152 WeakPolarHBondContact CB-O 3.11Å; A147-V152 PolarHBondContact O-N 2.68Å; A147-F155 HydrophobicContact CB-CD1 4.06Å; A147-F155 HydrophobicContact CB-CE1 4.33Å; A147-A202 HydrophobicContact CB-CB 4.07Å
148	G	98.9	Very high	98.8	Very high	18 Å²	18	30.9 Å²	30.9	19%	0.186	20%	0.196	C	C	.	.	H	α-helix	trans	-59.2	-44.4	174.9	0	0	0	0	0	113.1	R144 I145 R146 A150	R144-G148 PolarHBondContact O-N 2.88Å; R144-G148 VanDerWaalsContact O-N 3.11Å; I145-G148 PolarHBondContact O-N 2.86Å; I145-G148 VanDerWaalsContact O-N 3.15Å; R146-G148 VanDerWaalsContact C-N 3.33Å; R146-G148 PolarHBondContact O-N 3.02Å; G148-A150 VanDerWaalsContact C-N 3.27Å; G148-A150 PolarHBondContact O-N 3.47Å
149	G	98.7	Very high	98.8	Very high	23 Å²	23	30.8 Å²	30.8	24%	0.237	20%	0.196	C	C	.	.	H	α-helix	trans	-76.3	-8.9	175.5	0	0	0	0	0	115.5	I145 R146 A147 K236	I145-G149 PolarHBondContact O-N 2.86Å; R146-G149 PolarHBondContact O-N 2.99Å; A147-G149 PolarHBondContact O-N 3.49Å; G149-K236 WeakPolarHBondContact CA-O 3.35Å
150	A	98.8	Very high	98.8	Very high	57 Å²	57	31 Å²	31	47%	0.471	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	3.8	-177	0	0	0	0	0	113.6	R146 A147 G148 V152	R146-A150 VanDerWaalsContact O-CB 3.24Å; R146-A150 WeakPolarHBondContact O-CB 3.17Å; R146-A150 PolarHBondContact O-N 2.83Å; A147-A150 CarbonylContact O-C 3.49Å; A147-A150 PolarHBondContact O-N 3.11Å; A147-A150 VanDerWaalsContact O-N 3.1Å; G148-A150 VanDerWaalsContact C-N 3.27Å; G148-A150 PolarHBondContact O-N 3.47Å; A150-V152 VanDerWaalsContact C-N 3.29Å; A150-V152 HydrophobicContact CB-CG2 4.44Å; A150-V152 PolarHBondContact O-N 3.09Å
151	G	98.4	Very high	98.8	Very high	71 Å²	71	34 Å²	34	73%	0.732	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	68.7	26.2	-177.8	0	0	0	0	0	113.8	A147	A147-G151 PolarHBondContact O-N 2.85Å
152	V	98.8	Very high	98.7	Very high	55 Å²	55	34.2 Å²	34.2	33%	0.333	21%	0.212	S	C	.	.			trans	-105.3	108.1	176.3	176.5	0	0	0	0	107.8	A147 A150 A154 A202	A147-V152 CarbonylContact C-O 3.48Å; A147-V152 HydrophobicContact CB-CB 4.06Å; A147-V152 HydrophobicContact CB-CG1 4.32Å; A147-V152 WeakPolarHBondContact CB-O 3.11Å; A147-V152 PolarHBondContact O-N 2.68Å; A150-V152 VanDerWaalsContact C-N 3.29Å; A150-V152 HydrophobicContact CB-CG2 4.44Å; A150-V152 PolarHBondContact O-N 3.09Å; V152-A154 VanDerWaalsContact C-N 3.34Å; V152-A154 VanDerWaalsContact CG1-O 3.31Å; V152-A154 WeakPolarHBondContact CG1-O 3.28Å; V152-A154 PolarHBondContact O-N 3.42Å; V152-A202 VanDerWaalsContact O-CB 3.32Å; V152-A202 WeakPolarHBondContact O-CB 3.42Å
153	P	98.6	Very high	98.7	Very high	108 Å²	108	34.3 Å²	34.3	70%	0.701	21%	0.213	S	C	*	.			trans	-72.1	-26.9	-172.2	27.7	-35	0	0	0	113.5	A202	P153-A202 PolarHBondContact O-N 2.75Å
154	A	98.8	Very high	98.6	Very high	33 Å²	33	35.2 Å²	35.2	27%	0.273	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.2	158.3	176.5	0	0	0	0	0	111.1	V152 L199 E200	V152-A154 VanDerWaalsContact C-N 3.34Å; V152-A154 VanDerWaalsContact CG1-O 3.31Å; V152-A154 WeakPolarHBondContact CG1-O 3.28Å; V152-A154 PolarHBondContact O-N 3.42Å; A154-L199 HydrophobicContact CB-CD1 3.81Å; A154-L199 HydrophobicContact CB-CG 4.15Å; A154-E200 CarbonylContact C-O 3.58Å; A154-E200 WeakPolarHBondContact CA-O 3.47Å; A154-E200 WeakPolarHBondContact CB-O 3.21Å
155	F	98.9	Very high	98.6	Very high	33 Å²	33	34.6 Å²	34.6	15%	0.145	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	165.3	175.8	65.8	-81.7	0	0	0	110.9	E143 R144 A147 T157 E200	E143-F155 HydrophobicContact CB-CE1 4.06Å; E143-F155 HydrophobicContact CB-CE2 3.8Å; E143-F155 HydrophobicContact CB-CZ 3.45Å; E143-F155 VanDerWaalsContact CB-CZ 3.45Å; E143-F155 HydrophobicContact CG-CD1 4.22Å; E143-F155 HydrophobicContact CG-CD2 3.87Å; E143-F155 HydrophobicContact CG-CE1 3.84Å; E143-F155 HydrophobicContact CG-CE2 3.43Å; E143-F155 VanDerWaalsContact CG-CE2 3.43Å; E143-F155 HydrophobicContact CG-CG 4.26Å; E143-F155 HydrophobicContact CG-CZ 3.44Å; E143-F155 VanDerWaalsContact CG-CZ 3.44Å; R144-F155 HydrophobicContact CB-CE1 4.38Å; R144-F155 HydrophobicContact CG-CE1 3.79Å; R144-F155 HydrophobicContact CG-CZ 3.97Å; A147-F155 HydrophobicContact CB-CD1 4.06Å; A147-F155 HydrophobicContact CB-CE1 4.33Å; F155-T157 HydrophobicContact CE2-CG2 4.17Å; F155-E200 HydrophobicContact CE1-CB 4.13Å; F155-E200 HydrophobicContact CE2-CB 4.4Å; F155-E200 HydrophobicContact CZ-CB 3.92Å; F155-E200 PolarHBondContact N-O 2.93Å; F155-E200 PolarHBondContact O-N 2.8Å
156	Y	98.8	Very high	98.6	Very high	76 Å²	76	36.2 Å²	36.2	30%	0.298	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	139.4	175.8	-79.1	-83	0	0	0	111.5	R190 F192 F197 I198 L199	Y156-R190 HydrophobicContact CD1-CB 4.18Å; Y156-R190 HydrophobicContact CE1-CB 3.38Å; Y156-R190 HydrophobicContact CE1-CG 4.46Å; Y156-R190 WeakPolarHBondContact OH-CD 3.46Å; Y156-F192 HydrophobicContact CD1-CE2 4.06Å; Y156-F192 AromaticContact CD2-CE2 3.82Å; Y156-F192 HydrophobicContact CD2-CE2 3.82Å; Y156-F192 HydrophobicContact CD2-CZ 4.06Å; Y156-F192 HydrophobicContact CE1-CE2 4.27Å; Y156-F192 HydrophobicContact CE2-CE2 4.05Å; Y156-F192 HydrophobicContact CE2-CZ 4.09Å; Y156-F192 AromaticContact CG-CE2 3.83Å; Y156-F192 HydrophobicContact CG-CE2 3.83Å; Y156-F197 HydrophobicContact CD1-CB 3.9Å; Y156-F197 HydrophobicContact CG-CB 4.34Å; Y156-I198 VanDerWaalsContact CA-O 3.31Å; Y156-I198 WeakPolarHBondContact CA-O 3.37Å; Y156-L199 HydrophobicContact CD1-CB 4.35Å; Y156-L199 HydrophobicContact CD2-CD1 4.06Å; Y156-L199 HydrophobicContact CE1-CB 3.91Å; Y156-L199 HydrophobicContact CE1-CD1 4.17Å; Y156-L199 HydrophobicContact CE2-CD1 3.68Å; Y156-L199 HydrophobicContact CG-CD1 4.46Å
157	T	98.8	Very high	98.6	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	144.3	176.3	-179.2	0	0	0	0	111.4	F155 T159 F197 I198 E200 R390	F155-T157 HydrophobicContact CE2-CG2 4.17Å; T157-T159 VanDerWaalsContact C-N 3.25Å; T157-T159 WeakPolarHBondContact OG1-CB 3.37Å; T157-T159 PolarHBondContact OG1-N 2.78Å; T157-T159 PolarHBondContact OG1-OG1 2.94Å; T157-F197 CarbonylContact O-C 3.55Å; T157-F197 WeakPolarHBondContact O-CA 3.36Å; T157-I198 HydrophobicContact CG2-CG1 3.91Å; T157-I198 PolarHBondContact N-O 2.94Å; T157-I198 PolarHBondContact O-N 3.2Å; T157-E200 HydrophobicContact CG2-CG 3.93Å; T157-R390 WeakPolarHBondContact OG1-CD 3.4Å
158	P	98.6	Very high	98.5	Very high	21 Å²	21	37.2 Å²	37.2	14%	0.136	24%	0.235	C	C	.	.	S	Bend	trans	-75.2	-19.7	173.4	30.8	-32.9	0	0	0	111.9	G160 Y161 F197	P158-G160 PolarHBondContact O-N 3Å; P158-Y161 WeakPolarHBondContact O-CB 3.35Å; P158-Y161 PolarHBondContact O-N 3.1Å; P158-F197 HydrophobicContact CB-CD1 4.03Å; P158-F197 HydrophobicContact CB-CE1 4.03Å; P158-F197 HydrophobicContact CG-CD1 4.29Å; P158-F197 HydrophobicContact CG-CE1 4.09Å
159	T	98.8	Very high	98.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	125.8	178.8	-58.7	0	0	0	0	110.6	P137 T157 I198 R390 M427 D428	P137-T159 HydrophobicContact CB-CG2 3.45Å; P137-T159 VanDerWaalsContact CB-CG2 3.45Å; P137-T159 HydrophobicContact CG-CG2 3.91Å; T157-T159 VanDerWaalsContact C-N 3.25Å; T157-T159 WeakPolarHBondContact OG1-CB 3.37Å; T157-T159 PolarHBondContact OG1-N 2.78Å; T157-T159 PolarHBondContact OG1-OG1 2.94Å; T159-I198 WeakPolarHBondContact O-CD1 3.42Å; T159-I198 WeakPolarHBondContact O-CG1 3.42Å; T159-R390 WeakPolarHBondContact OG1-CD 3.17Å; T159-M427 HydrophobicContact CG2-CB 3.73Å; T159-D428 HydrophobicContact CG2-CB 4.31Å; T159-D428 VanDerWaalsContact CG2-CG 3.46Å; T159-D428 WeakPolarHBondContact CG2-OD1 3.46Å; T159-D428 PolarHBondContact OG1-OD1 3.27Å
160	G	98.4	Very high	98.1	Very high	4 Å²	4	37.7 Å²	37.7	4%	0.041	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.9	-5.1	175.2	0	0	0	0	0	115.5	P158 G162 T163 Q166	P158-G160 PolarHBondContact O-N 3Å; G160-G162 PolarHBondContact O-N 3.31Å; G160-T163 WeakPolarHBondContact CA-OG1 3.19Å; G160-T163 WeakPolarHBondContact O-CB 3.42Å; G160-T163 PolarHBondContact O-N 3.34Å; G160-T163 PolarHBondContact O-OG1 2.94Å; G160-Q166 WeakPolarHBondContact O-CB 3.43Å
161	Y	98.6	Very high	97.9	Very high	63 Å²	63	35.6 Å²	35.6	25%	0.247	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	131.9	172.9	172.2	-104.7	0	0	0	111.8	P158 T163 Q166 V189 H196 I198	P158-Y161 WeakPolarHBondContact O-CB 3.35Å; P158-Y161 PolarHBondContact O-N 3.1Å; Y161-T163 VanDerWaalsContact C-N 3.31Å; Y161-Q166 HydrophobicContact CD2-CG 4.5Å; Y161-V189 HydrophobicContact CD2-CG1 4.11Å; Y161-V189 HydrophobicContact CD2-CG2 4.48Å; Y161-V189 HydrophobicContact CE2-CG1 3.86Å; Y161-H196 HydrophobicContact CD1-CB 3.91Å; Y161-H196 HydrophobicContact CD2-CB 3.59Å; Y161-H196 HydrophobicContact CE1-CB 3.67Å; Y161-H196 HydrophobicContact CE2-CB 3.32Å; Y161-H196 AromaticContact CE2-CD2 3.64Å; Y161-H196 AromaticContact CE2-CG 3.66Å; Y161-H196 HydrophobicContact CG-CB 3.87Å; Y161-H196 AromaticContact CZ-CD2 3.63Å; Y161-H196 AromaticContact CZ-CG 3.42Å; Y161-H196 VanDerWaalsContact CZ-CG 3.42Å; Y161-H196 PolarHBondContact OH-CD2 3.48Å; Y161-H196 VanDerWaalsContact OH-CD2 3.29Å; Y161-I198 HydrophobicContact CD2-CG2 4.5Å
162	G	97.9	Very high	97.9	Very high	5 Å²	5	33 Å²	33	5%	0.052	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	70	25	-177.3	0	0	0	0	0	114.2	G160	G160-G162 PolarHBondContact O-N 3.31Å
163	T	98.5	Very high	97.8	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	19%	0.187	C	C	.	.	S	Bend	trans	-127.6	173.9	176.3	78.9	0	0	0	0	110.3	G160 Y161 V165 Q166 E167 M427 L460	G160-T163 WeakPolarHBondContact CA-OG1 3.19Å; G160-T163 WeakPolarHBondContact O-CB 3.42Å; G160-T163 PolarHBondContact O-N 3.34Å; G160-T163 PolarHBondContact O-OG1 2.94Å; Y161-T163 VanDerWaalsContact C-N 3.31Å; T163-V165 PolarHBondContact O-N 3.24Å; T163-V165 VanDerWaalsContact O-N 3.08Å; T163-V165 PolarHBondContact OG1-N 3.47Å; T163-Q166 PolarHBondContact O-N 3.24Å; T163-E167 WeakPolarHBondContact O-CG 3.26Å; T163-E167 PolarHBondContact O-N 3.37Å; T163-M427 HydrophobicContact CG2-CE 4.03Å; T163-M427 HydrophobicContact CG2-SD 4.38Å; T163-L460 HydrophobicContact CG2-CB 4.33Å; T163-L460 WeakPolarHBondContact CG2-O 3.29Å
164	L	97.7	Very high	97.7	Very high	43 Å²	43	29.4 Å²	29.4	23%	0.225	16%	0.158	C	C	.	.	H	α-helix	trans	-58.8	-19.5	174.2	-67.5	178.5	0	0	0	114.2	G168 W413 M414 P459	L164-G168 CarbonylContact O-C 3.51Å; L164-G168 WeakPolarHBondContact O-CA 3.23Å; L164-G168 PolarHBondContact O-N 3.22Å; L164-G168 VanDerWaalsContact O-N 3.14Å; L164-W413 HydrophobicContact CD1-CH2 4.48Å; L164-W413 HydrophobicContact CD1-CZ2 4.2Å; L164-M414 HydrophobicContact CD1-SD 4.45Å; L164-P459 HydrophobicContact CD1-CB 3.94Å; L164-P459 HydrophobicContact CD1-CG 4.18Å; L164-P459 HydrophobicContact CG-CB 4.48Å
165	V	98.3	Very high	97.6	Very high	11 Å²	11	31.1 Å²	31.1	7%	0.067	16%	0.163	C	C	.	.	H	α-helix	trans	-65.2	-45.6	172.4	178.2	0	0	0	0	109.9	P137 T163 R187 I198 M423 M427	P137-V165 HydrophobicContact CG-CG1 4.32Å; P137-V165 HydrophobicContact CG-CG2 3.92Å; T163-V165 PolarHBondContact O-N 3.24Å; T163-V165 VanDerWaalsContact O-N 3.08Å; T163-V165 PolarHBondContact OG1-N 3.47Å; V165-R187 WeakPolarHBondContact O-CG 3.32Å; V165-I198 HydrophobicContact CG1-CD1 3.99Å; V165-M423 HydrophobicContact CG2-CE 3.84Å; V165-M427 HydrophobicContact CG2-CE 4.04Å; V165-M427 HydrophobicContact CG2-SD 3.76Å
166	Q	98.6	Very high	97.3	Very high	34 Å²	34	39.6 Å²	39.6	16%	0.159	20%	0.199	C	C	.	.	H	α-helix	trans	-79.1	-46.9	180	179.8	-98.7	-62.1	0	0	112.7	G160 Y161 T163 G168 P186 R187 V189 I198	G160-Q166 WeakPolarHBondContact O-CB 3.43Å; Y161-Q166 HydrophobicContact CD2-CG 4.5Å; T163-Q166 PolarHBondContact O-N 3.24Å; Q166-G168 PolarHBondContact O-N 2.69Å; Q166-P186 CarbonylContact O-C 3.57Å; Q166-P186 VanDerWaalsContact O-CA 3.26Å; Q166-P186 WeakPolarHBondContact O-CA 3.4Å; Q166-P186 WeakPolarHBondContact O-CB 3.4Å; Q166-R187 PolarHBondContact O-N 2.82Å; Q166-V189 HydrophobicContact CG-CG2 3.58Å; Q166-I198 HydrophobicContact CB-CG2 3.77Å; Q166-I198 HydrophobicContact CG-CG2 3.4Å
167	E	98.2	Very high	97	Very high	116 Å²	116	42 Å²	42	54%	0.542	22%	0.218	S	C	.	.	H	α-helix	trans	-74.1	-18.4	-174.1	-64.7	174.4	177.8	0	0	112.4	T163	T163-E167 WeakPolarHBondContact O-CG 3.26Å; T163-E167 PolarHBondContact O-N 3.37Å
168	G	97.5	Very high	96.6	Very high	7 Å²	7	44.3 Å²	44.3	7%	0.072	24%	0.241	C	C	.	.			trans	76.9	-174.2	-169	0	0	0	0	0	111.6	L164 Q166 S170 S184	L164-G168 CarbonylContact O-C 3.51Å; L164-G168 WeakPolarHBondContact O-CA 3.23Å; L164-G168 PolarHBondContact O-N 3.22Å; L164-G168 VanDerWaalsContact O-N 3.14Å; Q166-G168 PolarHBondContact O-N 2.69Å; G168-S170 VanDerWaalsContact C-N 3.31Å; G168-S170 PolarHBondContact O-N 2.67Å; G168-S184 WeakPolarHBondContact CA-O 3.28Å; G168-S184 WeakPolarHBondContact CA-OG 3.37Å
169	G	95.6	Very high	96.3	Very high	43 Å²	43	45.6 Å²	45.6	44%	0.443	25%	0.251	S	S	.	.			trans	85.7	-4.9	179.3	0	0	0	0	0	114.9	S184	G169-S184 PolarHBondContact N-O 3.21Å; G169-S184 PolarHBondContact N-OG 3.23Å
170	S	94.3	Very high	96.1	Very high	8 Å²	8	48.9 Å²	48.9	6%	0.056	27%	0.27	C	S	.	.			trans	-62.3	127.9	172.1	-173	0	0	0	0	109.5	G168 I172 A183 S184	G168-S170 VanDerWaalsContact C-N 3.31Å; G168-S170 PolarHBondContact O-N 2.67Å; S170-I172 PolarHBondContact O-N 2.91Å; S170-I172 VanDerWaalsContact O-N 3.15Å; S170-A183 CarbonylContact O-C 3.58Å; S170-S184 VanDerWaalsContact CB-OG 3.3Å; S170-S184 WeakPolarHBondContact CB-OG 3.36Å; S170-S184 PolarHBondContact N-OG 2.58Å; S170-S184 PolarHBondContact O-N 2.83Å
171	P	94.7	Very high	96.1	Very high	14 Å²	14	50.8 Å²	50.8	9%	0.091	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	117.2	-177.8	-24	36	0	0	0	111.3	Y126 Y174 V180	Y126-P171 PolarHBondContact OH-O 2.95Å; P171-Y174 HydrophobicContact CB-CD1 4.38Å; P171-Y174 HydrophobicContact CB-CE1 3.65Å; P171-Y174 HydrophobicContact CB-CE2 3.97Å; P171-Y174 VanDerWaalsContact CB-CZ 3.43Å; P171-Y174 WeakPolarHBondContact CB-OH 3.04Å; P171-Y174 HydrophobicContact CG-CE1 3.92Å; P171-Y174 WeakPolarHBondContact CG-OH 3.37Å; P171-V180 HydrophobicContact CB-CG1 4.09Å; P171-V180 HydrophobicContact CB-CG2 3.96Å; P171-V180 HydrophobicContact CG-CG2 3.78Å
172	I	97.4	Very high	96.1	Very high	16 Å²	16	50.7 Å²	50.7	8%	0.082	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	-37.4	170	-67.2	175.3	0	0	0	110	E132 V133 S170 I182	E132-I172 CarbonylContact C-O 3.41Å; E132-I172 WeakPolarHBondContact CA-O 3.39Å; E132-I172 HydrophobicContact CB-CG2 4.12Å; V133-I172 PolarHBondContact N-O 3.09Å; V133-I172 WeakPolarHBondContact O-CA 3.18Å; S170-I172 PolarHBondContact O-N 2.91Å; S170-I172 VanDerWaalsContact O-N 3.15Å; I172-I182 WeakPolarHBondContact CA-O 3.35Å; I172-I182 HydrophobicContact CB-CB 4.17Å; I172-I182 HydrophobicContact CB-CG2 3.93Å; I172-I182 HydrophobicContact CD1-CG2 4.36Å; I172-I182 HydrophobicContact CG2-CB 4.45Å; I172-I182 HydrophobicContact CG2-CG2 4.15Å; I172-I182 PolarHBondContact N-O 3.21Å
173	K	97.5	Very high	96.1	Very high	62 Å²	62	52.8 Å²	52.8	27%	0.27	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	135.7	178.2	-166.4	-178.3	-174.2	167.2	0	110.1	G129 E132 A181 I182	G129-K173 WeakPolarHBondContact O-CE 3.37Å; E132-K173 HydrophobicContact CG-CB 4.11Å; E132-K173 HydrophobicContact CG-CD 3.82Å; E132-K173 HydrophobicContact CG-CG 4.1Å; K173-A181 HydrophobicContact CB-CB 4.3Å; K173-A181 HydrophobicContact CG-CB 4.39Å; K173-A181 WeakPolarHBondContact O-CA 3.28Å; K173-A181 WeakPolarHBondContact O-CB 3.38Å; K173-A181 PolarHBondContact O-N 3.2Å; K173-I182 HydrophobicContact CB-CB 3.89Å; K173-I182 HydrophobicContact CB-CD1 3.94Å; K173-I182 HydrophobicContact CB-CG1 3.9Å; K173-I182 HydrophobicContact CD-CD1 3.97Å; K173-I182 HydrophobicContact CD-CG1 4.43Å; K173-I182 PolarHBondContact N-O 3.02Å; K173-I182 VanDerWaalsContact N-O 3.11Å; K173-I182 PolarHBondContact O-N 2.93Å; K173-I182 VanDerWaalsContact O-N 3.15Å
174	Y	95.7	Very high	96	Very high	25 Å²	25	53.6 Å²	53.6	10%	0.098	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	155.2	170.6	-65.9	-77.2	0	0	0	111.6	Y126 L127 G129 P171 G178 S179 V180	Y126-Y174 HydrophobicContact CD1-CE2 4.44Å; Y126-Y174 AromaticContact CD2-CD2 3.98Å; Y126-Y174 HydrophobicContact CD2-CD2 3.98Å; Y126-Y174 HydrophobicContact CD2-CE2 4.11Å; Y126-Y174 AromaticContact CE1-CE2 3.94Å; Y126-Y174 HydrophobicContact CE1-CE2 3.94Å; Y126-Y174 AromaticContact CE2-CD2 3.75Å; Y126-Y174 HydrophobicContact CE2-CD2 3.75Å; Y126-Y174 AromaticContact CE2-CE2 3.58Å; Y126-Y174 HydrophobicContact CE2-CE2 3.58Å; Y126-Y174 AromaticContact CZ-CE2 3.49Å; Y126-Y174 VanDerWaalsContact CZ-CE2 3.49Å; Y126-Y174 WeakPolarHBondContact O-CD2 3.28Å; L127-Y174 HydrophobicContact CD2-CE2 4.17Å; G129-Y174 WeakPolarHBondContact CA-O 3.13Å; P171-Y174 HydrophobicContact CB-CD1 4.38Å; P171-Y174 HydrophobicContact CB-CE1 3.65Å; P171-Y174 HydrophobicContact CB-CE2 3.97Å; P171-Y174 VanDerWaalsContact CB-CZ 3.43Å; P171-Y174 WeakPolarHBondContact CB-OH 3.04Å; P171-Y174 HydrophobicContact CG-CE1 3.92Å; P171-Y174 WeakPolarHBondContact CG-OH 3.37Å; Y174-G178 WeakPolarHBondContact CD1-O 3.5Å; Y174-S179 CarbonylContact C-O 3.52Å; Y174-S179 WeakPolarHBondContact CA-O 3.47Å; Y174-V180 HydrophobicContact CD1-CG2 4.41Å; Y174-V180 HydrophobicContact CE1-CG2 4.17Å
175	N	96	Very high	96.1	Very high	70 Å²	70	59.5 Å²	59.5	37%	0.374	34%	0.335	S	S	.	.			trans	-84.5	166	161.6	-71.9	-46.6	0	0	0	109.6	D177 G178 S179 A181	N175-D177 WeakPolarHBondContact CB-OD1 3.11Å; N175-D177 PolarHBondContact O-N 3.16Å; N175-D177 VanDerWaalsContact O-N 3.13Å; N175-G178 PolarHBondContact O-N 3.01Å; N175-S179 WeakPolarHBondContact CB-OG 3.24Å; N175-S179 PolarHBondContact N-O 3.42Å; N175-S179 PolarHBondContact ND2-OG 2.95Å; N175-A181 VanDerWaalsContact OD1-CB 3.27Å; N175-A181 WeakPolarHBondContact OD1-CB 3.44Å
176	K	92.6	Very high	96.1	Very high	211 Å²	211	63.1 Å²	63.1	92%	0.917	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-23.2	177.4	-66.1	-175.3	179.8	-179.8	0	113.9	G178	K176-G178 VanDerWaalsContact C-N 3.31Å
177	D	92.6	Very high	96.1	Very high	127 Å²	127	64 Å²	64	68%	0.679	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-0.5	177.4	66	1.1	0	0	0	113.4	N175 S179	N175-D177 WeakPolarHBondContact CB-OD1 3.11Å; N175-D177 PolarHBondContact O-N 3.16Å; N175-D177 VanDerWaalsContact O-N 3.13Å; D177-S179 VanDerWaalsContact OD1-CB 3.27Å; D177-S179 WeakPolarHBondContact OD1-CB 3.23Å; D177-S179 PolarHBondContact OD1-N 3.49Å; D177-S179 PolarHBondContact OD1-OG 2.96Å; D177-S179 PolarHBondContact OD2-OG 2.94Å
178	G	90.4	Very high	96.1	Very high	48 Å²	48	64.6 Å²	64.6	50%	0.495	36%	0.364	S	S	.	.	S	Bend	trans	85.8	-2.1	-177.5	0	0	0	0	0	114.9	Y174 N175 K176	Y174-G178 WeakPolarHBondContact CD1-O 3.5Å; N175-G178 PolarHBondContact O-N 3.01Å; K176-G178 VanDerWaalsContact C-N 3.31Å
179	S	93.5	Very high	96.2	Very high	49 Å²	49	67.1 Å²	67.1	34%	0.343	38%	0.378	S	S	.	.			trans	-72.2	157.8	172.5	67.2	0	0	0	0	111.6	Y174 N175 D177 A181	Y174-S179 CarbonylContact C-O 3.52Å; Y174-S179 WeakPolarHBondContact CA-O 3.47Å; N175-S179 WeakPolarHBondContact CB-OG 3.24Å; N175-S179 PolarHBondContact N-O 3.42Å; N175-S179 PolarHBondContact ND2-OG 2.95Å; D177-S179 VanDerWaalsContact OD1-CB 3.27Å; D177-S179 WeakPolarHBondContact OD1-CB 3.23Å; D177-S179 PolarHBondContact OD1-N 3.49Å; D177-S179 PolarHBondContact OD1-OG 2.96Å; D177-S179 PolarHBondContact OD2-OG 2.94Å; S179-A181 PolarHBondContact O-N 3.17Å
180	V	95.1	Very high	96.3	Very high	68 Å²	68	71.7 Å²	71.7	41%	0.412	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	115.8	-179.4	-177.4	0	0	0	0	109.7	P171 Y174 I182 A183	P171-V180 HydrophobicContact CB-CG1 4.09Å; P171-V180 HydrophobicContact CB-CG2 3.96Å; P171-V180 HydrophobicContact CG-CG2 3.78Å; Y174-V180 HydrophobicContact CD1-CG2 4.41Å; Y174-V180 HydrophobicContact CE1-CG2 4.17Å; V180-I182 VanDerWaalsContact CG1-O 3.31Å; V180-I182 WeakPolarHBondContact CG1-O 3.18Å; V180-A183 HydrophobicContact CG1-CB 4.03Å
181	A	97.5	Very high	96.5	Very high	45 Å²	45	76.6 Å²	76.6	37%	0.372	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-39.9	176.9	0	0	0	0	0	112.3	K173 N175 S179	K173-A181 HydrophobicContact CB-CB 4.3Å; K173-A181 HydrophobicContact CG-CB 4.39Å; K173-A181 WeakPolarHBondContact O-CA 3.28Å; K173-A181 WeakPolarHBondContact O-CB 3.38Å; K173-A181 PolarHBondContact O-N 3.2Å; N175-A181 VanDerWaalsContact OD1-CB 3.27Å; N175-A181 WeakPolarHBondContact OD1-CB 3.44Å; S179-A181 PolarHBondContact O-N 3.17Å
182	I	98.2	Very high	96.7	Very high	60 Å²	60	79.4 Å²	79.4	31%	0.308	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	123.8	177.4	-54.5	176.1	0	0	0	107.2	I172 K173 V180	I172-I182 WeakPolarHBondContact CA-O 3.35Å; I172-I182 HydrophobicContact CB-CB 4.17Å; I172-I182 HydrophobicContact CB-CG2 3.93Å; I172-I182 HydrophobicContact CD1-CG2 4.36Å; I172-I182 HydrophobicContact CG2-CB 4.45Å; I172-I182 HydrophobicContact CG2-CG2 4.15Å; I172-I182 PolarHBondContact N-O 3.21Å; K173-I182 HydrophobicContact CB-CB 3.89Å; K173-I182 HydrophobicContact CB-CD1 3.94Å; K173-I182 HydrophobicContact CB-CG1 3.9Å; K173-I182 HydrophobicContact CD-CD1 3.97Å; K173-I182 HydrophobicContact CD-CG1 4.43Å; K173-I182 PolarHBondContact N-O 3.02Å; K173-I182 VanDerWaalsContact N-O 3.11Å; K173-I182 PolarHBondContact O-N 2.93Å; K173-I182 VanDerWaalsContact O-N 3.15Å; V180-I182 VanDerWaalsContact CG1-O 3.31Å; V180-I182 WeakPolarHBondContact CG1-O 3.18Å
183	A	97.6	Very high	96.7	Very high	50 Å²	50	86.9 Å²	86.9	41%	0.413	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	150.5	175.5	0	0	0	0	0	110.8	S170 V180	S170-A183 CarbonylContact O-C 3.58Å; V180-A183 HydrophobicContact CG1-CB 4.03Å
184	S	98.1	Very high	96.5	Very high	18 Å²	18	86.7 Å²	86.7	13%	0.126	47%	0.471	C	S	.	.	P	Polyproline II helix	trans	-63.5	143.6	173	69	0	0	0	0	110.9	G168 G169 S170	G168-S184 WeakPolarHBondContact CA-O 3.28Å; G168-S184 WeakPolarHBondContact CA-OG 3.37Å; G169-S184 PolarHBondContact N-O 3.21Å; G169-S184 PolarHBondContact N-OG 3.23Å; S170-S184 VanDerWaalsContact CB-OG 3.3Å; S170-S184 WeakPolarHBondContact CB-OG 3.36Å; S170-S184 PolarHBondContact N-OG 2.58Å; S170-S184 PolarHBondContact O-N 2.83Å
185	K	98.2	Very high	96.5	Very high	167 Å²	167	88.8 Å²	88.8	73%	0.726	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-75.5	149.1	171.5	-64.5	-179.1	-177.5	177.5	0	110.1	R187	K185-R187 PolarHBondContact O-NH1 2.91Å
186	P	98.5	Very high	96.6	Very high	88 Å²	88	88.7 Å²	88.7	57%	0.571	48%	0.478	S	S	*	.	P	Polyproline II helix	trans	-60.5	157.3	169.6	27.5	-35	0	0	0	111.2	Q166	Q166-P186 CarbonylContact O-C 3.57Å; Q166-P186 VanDerWaalsContact O-CA 3.26Å; Q166-P186 WeakPolarHBondContact O-CA 3.4Å; Q166-P186 WeakPolarHBondContact O-CB 3.4Å
187	R	98.6	Very high	96.9	Very high	51 Å²	51	80.3 Å²	80.3	19%	0.192	44%	0.442	C	S	.	.			trans	-104	144.3	170.8	-60.9	-64.9	-171.1	-88.8	2.6	109.7	E134 V165 Q166 K185 I198 L199 E200	E134-R187 IonicContact OE1-NH2 3.66Å; V165-R187 WeakPolarHBondContact O-CG 3.32Å; Q166-R187 PolarHBondContact O-N 2.82Å; K185-R187 PolarHBondContact O-NH1 2.91Å; R187-I198 HydrophobicContact CB-CB 4.07Å; R187-I198 HydrophobicContact CB-CD1 4.36Å; R187-I198 HydrophobicContact CG-CD1 4.34Å; R187-L199 WeakPolarHBondContact CD-O 3.42Å; R187-E200 IonicContact CZ-OE2 2.88Å; R187-E200 IonicContact NE-OE1 3.5Å; R187-E200 IonicContact NE-OE2 3.59Å; R187-E200 PolarHBondContact NE-OE2 3.31Å; R187-E200 IonicContact NH2-OE2 3.8Å
188	E	98.7	Very high	97.2	Very high	130 Å²	130	74.3 Å²	74.3	61%	0.607	41%	0.41	S	S	*	.			trans	-63.7	141.4	175.8	-61.9	-178	-169.6	0	0	110.3	I198 L199	E188-I198 CarbonylContact O-C 3.51Å; E188-I198 WeakPolarHBondContact O-CA 3.45Å; E188-L199 HydrophobicContact CB-CB 3.98Å; E188-L199 HydrophobicContact CB-CD2 4.44Å; E188-L199 PolarHBondContact O-N 3.03Å
189	V	98.7	Very high	97.6	Very high	60 Å²	60	73.7 Å²	73.7	36%	0.364	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	134.9	179	-179.8	0	0	0	0	109.3	Y161 Q166 H196 F197 I198	Y161-V189 HydrophobicContact CD2-CG1 4.11Å; Y161-V189 HydrophobicContact CD2-CG2 4.48Å; Y161-V189 HydrophobicContact CE2-CG1 3.86Å; Q166-V189 HydrophobicContact CG-CG2 3.58Å; V189-H196 HydrophobicContact CG1-CB 4.33Å; V189-F197 WeakPolarHBondContact CA-O 3.3Å; V189-I198 HydrophobicContact CG2-CG2 4.25Å
190	R	98.7	Very high	97.9	Very high	138 Å²	138	71.4 Å²	71.4	52%	0.521	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	141.7	171.7	-170.6	168.4	174.9	174.2	1.9	111	Y156 F192 F197	Y156-R190 HydrophobicContact CD1-CB 4.18Å; Y156-R190 HydrophobicContact CE1-CB 3.38Å; Y156-R190 HydrophobicContact CE1-CG 4.46Å; Y156-R190 WeakPolarHBondContact OH-CD 3.46Å; R190-F192 HydrophobicContact CB-CD2 4.47Å; R190-F192 HydrophobicContact CB-CE2 3.85Å; R190-F192 VanDerWaalsContact CD-CZ 3.43Å; R190-F192 HydrophobicContact CG-CD2 4.21Å; R190-F192 HydrophobicContact CG-CE2 3.59Å; R190-F192 HydrophobicContact CG-CZ 3.89Å; R190-F197 PolarHBondContact N-O 2.78Å; R190-F197 PolarHBondContact O-N 3.05Å
191	E	98.4	Very high	98	Very high	111 Å²	111	74.6 Å²	74.6	52%	0.519	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	135.3	175	-164.9	-172.9	131.6	0	0	110.8	G194 Q195 H196	E191-G194 VanDerWaalsContact OE1-CA 3.23Å; E191-G194 WeakPolarHBondContact OE1-CA 3.2Å; E191-Q195 CarbonylContact C-O 3.54Å; E191-Q195 VanDerWaalsContact CA-O 3.31Å; E191-Q195 WeakPolarHBondContact CA-O 3.38Å; E191-Q195 WeakPolarHBondContact CG-O 3.48Å; E191-H196 IonicContact OE2-CE1 2.77Å
192	F	98.5	Very high	98.1	Very high	73 Å²	73	73.9 Å²	73.9	32%	0.32	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	129.9	169	-64.6	-90.3	0	0	0	108.4	Y156 R190 G194 Q195 F197	Y156-F192 HydrophobicContact CD1-CE2 4.06Å; Y156-F192 AromaticContact CD2-CE2 3.82Å; Y156-F192 HydrophobicContact CD2-CE2 3.82Å; Y156-F192 HydrophobicContact CD2-CZ 4.06Å; Y156-F192 HydrophobicContact CE1-CE2 4.27Å; Y156-F192 HydrophobicContact CE2-CE2 4.05Å; Y156-F192 HydrophobicContact CE2-CZ 4.09Å; Y156-F192 AromaticContact CG-CE2 3.83Å; Y156-F192 HydrophobicContact CG-CE2 3.83Å; R190-F192 HydrophobicContact CB-CD2 4.47Å; R190-F192 HydrophobicContact CB-CE2 3.85Å; R190-F192 VanDerWaalsContact CD-CZ 3.43Å; R190-F192 HydrophobicContact CG-CD2 4.21Å; R190-F192 HydrophobicContact CG-CE2 3.59Å; R190-F192 HydrophobicContact CG-CZ 3.89Å; F192-G194 PolarHBondContact O-N 3Å; F192-Q195 PolarHBondContact N-O 2.83Å; F192-Q195 PolarHBondContact O-N 3.12Å; F192-F197 HydrophobicContact CB-CD2 4.1Å; F192-F197 HydrophobicContact CB-CE2 3.88Å; F192-F197 AromaticContact CD2-CD2 3.88Å; F192-F197 HydrophobicContact CD2-CD2 3.88Å; F192-F197 HydrophobicContact CD2-CE2 4.48Å; F192-F197 HydrophobicContact CD2-CG 4.42Å; F192-F197 HydrophobicContact CG-CD2 4.49Å
193	N	97	Very high	98.1	Very high	173 Å²	173	71.7 Å²	71.7	93%	0.925	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.1	36.1	176.9	-50.7	-44	0	0	0	114.5	Q195	N193-Q195 VanDerWaalsContact C-N 3.29Å; N193-Q195 PolarHBondContact O-N 3.46Å
194	G	94.8	Very high	98.2	Very high	58 Å²	58	73.3 Å²	73.3	60%	0.598	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-0	-179.4	0	0	0	0	0	115.3	E191 F192	E191-G194 VanDerWaalsContact OE1-CA 3.23Å; E191-G194 WeakPolarHBondContact OE1-CA 3.2Å; F192-G194 PolarHBondContact O-N 3Å
195	Q	95.2	Very high	98.2	Very high	69 Å²	69	72.6 Å²	72.6	32%	0.322	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	143	178.3	-177.5	171.4	0.4	0	0	110.6	E191 F192 N193 F197 S431	E191-Q195 CarbonylContact C-O 3.54Å; E191-Q195 VanDerWaalsContact CA-O 3.31Å; E191-Q195 WeakPolarHBondContact CA-O 3.38Å; E191-Q195 WeakPolarHBondContact CG-O 3.48Å; F192-Q195 PolarHBondContact N-O 2.83Å; F192-Q195 PolarHBondContact O-N 3.12Å; N193-Q195 VanDerWaalsContact C-N 3.29Å; N193-Q195 PolarHBondContact O-N 3.46Å; Q195-F197 HydrophobicContact CB-CE2 3.68Å; Q195-F197 HydrophobicContact CB-CZ 4Å; Q195-F197 HydrophobicContact CG-CE2 3.82Å; Q195-F197 HydrophobicContact CG-CZ 3.85Å; Q195-F197 WeakPolarHBondContact O-CD2 3.36Å; Q195-F197 WeakPolarHBondContact O-CE2 3.49Å; Q195-S431 PolarHBondContact NE2-O 3.34Å
196	H	98.1	Very high	98.2	Very high	68 Å²	68	68 Å²	68	32%	0.315	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	139	178.2	-68.4	69.2	0	0	0	111.1	Y161 V189 E191	Y161-H196 HydrophobicContact CD1-CB 3.91Å; Y161-H196 HydrophobicContact CD2-CB 3.59Å; Y161-H196 HydrophobicContact CE1-CB 3.67Å; Y161-H196 HydrophobicContact CE2-CB 3.32Å; Y161-H196 AromaticContact CE2-CD2 3.64Å; Y161-H196 AromaticContact CE2-CG 3.66Å; Y161-H196 HydrophobicContact CG-CB 3.87Å; Y161-H196 AromaticContact CZ-CD2 3.63Å; Y161-H196 AromaticContact CZ-CG 3.42Å; Y161-H196 VanDerWaalsContact CZ-CG 3.42Å; Y161-H196 PolarHBondContact OH-CD2 3.48Å; Y161-H196 VanDerWaalsContact OH-CD2 3.29Å; V189-H196 HydrophobicContact CG1-CB 4.33Å; E191-H196 IonicContact OE2-CE1 2.77Å
197	F	98.7	Very high	98.3	Very high	36 Å²	36	64.5 Å²	64.5	16%	0.158	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.6	179	-59.6	-99.9	0	0	0	109.6	Y156 T157 P158 V189 R190 F192 Q195	Y156-F197 HydrophobicContact CD1-CB 3.9Å; Y156-F197 HydrophobicContact CG-CB 4.34Å; T157-F197 CarbonylContact O-C 3.55Å; T157-F197 WeakPolarHBondContact O-CA 3.36Å; P158-F197 HydrophobicContact CB-CD1 4.03Å; P158-F197 HydrophobicContact CB-CE1 4.03Å; P158-F197 HydrophobicContact CG-CD1 4.29Å; P158-F197 HydrophobicContact CG-CE1 4.09Å; V189-F197 WeakPolarHBondContact CA-O 3.3Å; R190-F197 PolarHBondContact N-O 2.78Å; R190-F197 PolarHBondContact O-N 3.05Å; F192-F197 HydrophobicContact CB-CD2 4.1Å; F192-F197 HydrophobicContact CB-CE2 3.88Å; F192-F197 AromaticContact CD2-CD2 3.88Å; F192-F197 HydrophobicContact CD2-CD2 3.88Å; F192-F197 HydrophobicContact CD2-CE2 4.48Å; F192-F197 HydrophobicContact CD2-CG 4.42Å; F192-F197 HydrophobicContact CG-CD2 4.49Å; Q195-F197 HydrophobicContact CB-CE2 3.68Å; Q195-F197 HydrophobicContact CB-CZ 4Å; Q195-F197 HydrophobicContact CG-CE2 3.82Å; Q195-F197 HydrophobicContact CG-CZ 3.85Å; Q195-F197 WeakPolarHBondContact O-CD2 3.36Å; Q195-F197 WeakPolarHBondContact O-CE2 3.49Å
198	I	98.8	Very high	98.3	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	145.5	172.3	66.2	173.1	0	0	0	111.3	Y156 T157 T159 Y161 V165 Q166 R187 E188 V189 E200	Y156-I198 VanDerWaalsContact CA-O 3.31Å; Y156-I198 WeakPolarHBondContact CA-O 3.37Å; T157-I198 HydrophobicContact CG2-CG1 3.91Å; T157-I198 PolarHBondContact N-O 2.94Å; T157-I198 PolarHBondContact O-N 3.2Å; T159-I198 WeakPolarHBondContact O-CD1 3.42Å; T159-I198 WeakPolarHBondContact O-CG1 3.42Å; Y161-I198 HydrophobicContact CD2-CG2 4.5Å; V165-I198 HydrophobicContact CG1-CD1 3.99Å; Q166-I198 HydrophobicContact CB-CG2 3.77Å; Q166-I198 HydrophobicContact CG-CG2 3.4Å; R187-I198 HydrophobicContact CB-CB 4.07Å; R187-I198 HydrophobicContact CB-CD1 4.36Å; R187-I198 HydrophobicContact CG-CD1 4.34Å; E188-I198 CarbonylContact O-C 3.51Å; E188-I198 WeakPolarHBondContact O-CA 3.45Å; V189-I198 HydrophobicContact CG2-CG2 4.25Å; I198-E200 HydrophobicContact CD1-CG 4.34Å; I198-E200 HydrophobicContact CG1-CG 4.31Å
199	L	98.8	Very high	98.3	Very high	35 Å²	35	55.9 Å²	55.9	18%	0.183	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	127.6	173.4	-171.8	74.4	0	0	0	109.9	A154 Y156 R187 E188	A154-L199 HydrophobicContact CB-CD1 3.81Å; A154-L199 HydrophobicContact CB-CG 4.15Å; Y156-L199 HydrophobicContact CD1-CB 4.35Å; Y156-L199 HydrophobicContact CD2-CD1 4.06Å; Y156-L199 HydrophobicContact CE1-CB 3.91Å; Y156-L199 HydrophobicContact CE1-CD1 4.17Å; Y156-L199 HydrophobicContact CE2-CD1 3.68Å; Y156-L199 HydrophobicContact CG-CD1 4.46Å; R187-L199 WeakPolarHBondContact CD-O 3.42Å; E188-L199 HydrophobicContact CB-CB 3.98Å; E188-L199 HydrophobicContact CB-CD2 4.44Å; E188-L199 PolarHBondContact O-N 3.03Å
200	E	98.9	Very high	98.3	Very high	2 Å²	2	53 Å²	53	1%	0.009	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	133.3	174.4	-70.4	-75.9	-167	0	0	110.4	T140 R144 A154 F155 T157 R187 I198	T140-E200 HydrophobicContact CG2-CB 4.07Å; T140-E200 HydrophobicContact CG2-CG 3.55Å; R144-E200 HydrophobicContact CG-CB 4.1Å; A154-E200 CarbonylContact C-O 3.58Å; A154-E200 WeakPolarHBondContact CA-O 3.47Å; A154-E200 WeakPolarHBondContact CB-O 3.21Å; F155-E200 HydrophobicContact CE1-CB 4.13Å; F155-E200 HydrophobicContact CE2-CB 4.4Å; F155-E200 HydrophobicContact CZ-CB 3.92Å; F155-E200 PolarHBondContact N-O 2.93Å; F155-E200 PolarHBondContact O-N 2.8Å; T157-E200 HydrophobicContact CG2-CG 3.93Å; R187-E200 IonicContact CZ-OE2 2.88Å; R187-E200 IonicContact NE-OE1 3.5Å; R187-E200 IonicContact NE-OE2 3.59Å; R187-E200 PolarHBondContact NE-OE2 3.31Å; R187-E200 IonicContact NH2-OE2 3.8Å; I198-E200 HydrophobicContact CD1-CG 4.34Å; I198-E200 HydrophobicContact CG1-CG 4.31Å
201	E	98.8	Very high	98.3	Very high	134 Å²	134	46.9 Å²	46.9	63%	0.626	25%	0.254	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	144.8	-178	-66.8	176.9	-153.9	0	0	111.5	R144	R144-E201 WeakPolarHBondContact CG-O 3.39Å; R144-E201 PolarHBondContact NE-O 3.07Å
202	A	98.8	Very high	98.3	Very high	30 Å²	30	41.7 Å²	41.7	25%	0.248	23%	0.23	C	C	.	.			trans	-56.7	151	176.9	0	0	0	0	0	112.9	R144 A147 V152 P153	R144-A202 WeakPolarHBondContact O-CA 3.44Å; A147-A202 HydrophobicContact CB-CB 4.07Å; V152-A202 VanDerWaalsContact O-CB 3.32Å; V152-A202 WeakPolarHBondContact O-CB 3.42Å; P153-A202 PolarHBondContact O-N 2.75Å
203	I	98.8	Very high	98.3	Very high	14 Å²	14	42 Å²	42	7%	0.072	23%	0.229	C	C	.	.			trans	-111.9	126.3	169.8	-68.9	167.1	0	0	0	107.9	L60 V88 V112 L141 R144 I145	L60-I203 HydrophobicContact CD2-CG2 3.91Å; V88-I203 HydrophobicContact CG1-CD1 4.31Å; V88-I203 HydrophobicContact CG1-CG2 4.16Å; V88-I203 HydrophobicContact CG2-CG2 4.09Å; V112-I203 HydrophobicContact CG1-CD1 4.32Å; L141-I203 HydrophobicContact CD1-CD1 3.88Å; R144-I203 HydrophobicContact CB-CB 4.33Å; R144-I203 HydrophobicContact CB-CD1 3.86Å; R144-I203 HydrophobicContact CB-CG1 3.93Å; R144-I203 PolarHBondContact O-N 3.07Å; I145-I203 HydrophobicContact CG1-CB 4.27Å; I145-I203 HydrophobicContact CG1-CG2 4.32Å
204	T	98.8	Very high	98.4	Very high	84 Å²	84	35.6 Å²	35.6	52%	0.515	19%	0.193	S	C	.	.			trans	-118.6	150.5	163.7	55.4	0	0	0	0	109.4	A237	T204-A237 CarbonylContact C-O 3.51Å; T204-A237 VanDerWaalsContact CA-O 3.25Å; T204-A237 WeakPolarHBondContact CA-O 3.31Å
205	G	98.7	Very high	98.6	Very high	4 Å²	4	32.8 Å²	32.8	4%	0.041	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	157	171.2	0	0	0	0	0	111.9	T58 F207 A237 A238 E239	T58-G205 CarbonylContact O-C 3.53Å; T58-G205 WeakPolarHBondContact O-CA 3.21Å; G205-F207 VanDerWaalsContact C-N 3.25Å; G205-A237 PolarHBondContact N-O 2.87Å; G205-A238 WeakPolarHBondContact O-CA 3.45Å; G205-A238 WeakPolarHBondContact O-CB 3.37Å; G205-E239 PolarHBondContact O-N 2.93Å; G205-E239 VanDerWaalsContact O-N 3.13Å
206	D	98.8	Very high	98.8	Very high	71 Å²	71	29.8 Å²	29.8	38%	0.38	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	-38.6	163.7	-55.9	-62.6	0	0	0	109.2	A57 T58 E239 T240	A57-D206 WeakPolarHBondContact CA-OD2 3.42Å; A57-D206 HydrophobicContact CB-CB 4.33Å; T58-D206 PolarHBondContact N-OD2 2.9Å; T58-D206 PolarHBondContact O-N 3.37Å; D206-E239 WeakPolarHBondContact O-CB 3.38Å; D206-T240 PolarHBondContact O-N 3.08Å
207	F	98.9	Very high	98.7	Very high	13 Å²	13	32.7 Å²	32.7	6%	0.057	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	152.4	177.4	-71.2	-102.2	0	0	0	112.2	I53 T58 V59 L60 G205 A238 T240 V242	I53-F207 HydrophobicContact CB-CD2 4.36Å; I53-F207 HydrophobicContact CB-CE2 4.32Å; I53-F207 HydrophobicContact CD1-CB 3.96Å; I53-F207 HydrophobicContact CD1-CD1 3.86Å; I53-F207 HydrophobicContact CD1-CD2 4.24Å; I53-F207 HydrophobicContact CD1-CE1 4.41Å; I53-F207 HydrophobicContact CD1-CG 3.76Å; I53-F207 HydrophobicContact CG1-CB 4.39Å; I53-F207 HydrophobicContact CG1-CD1 3.64Å; I53-F207 HydrophobicContact CG1-CD2 3.75Å; I53-F207 HydrophobicContact CG1-CE1 3.71Å; I53-F207 HydrophobicContact CG1-CE2 3.85Å; I53-F207 HydrophobicContact CG1-CG 3.66Å; I53-F207 HydrophobicContact CG1-CZ 3.82Å; I53-F207 HydrophobicContact CG2-CD2 4.27Å; T58-F207 PolarHBondContact O-N 3.25Å; V59-F207 CarbonylContact C-O 3.52Å; V59-F207 WeakPolarHBondContact CA-O 3.47Å; V59-F207 HydrophobicContact CG1-CB 4.4Å; L60-F207 PolarHBondContact N-O 3.48Å; G205-F207 VanDerWaalsContact C-N 3.25Å; F207-A238 VanDerWaalsContact C-CB 3.43Å; F207-T240 VanDerWaalsContact CA-O 3.23Å; F207-T240 WeakPolarHBondContact CA-O 3.19Å; F207-T240 HydrophobicContact CD1-CG2 3.68Å; F207-T240 HydrophobicContact CE1-CG2 3.5Å; F207-T240 VanDerWaalsContact CE1-CG2 3.5Å; F207-T240 HydrophobicContact CZ-CG2 4.45Å; F207-V242 HydrophobicContact CD1-CG2 4.39Å
208	A	98.9	Very high	98.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	127.8	166.5	0	0	0	0	0	110.1	L60 V210 M234 A238 T240 T241 V242	L60-A208 HydrophobicContact CB-CB 4.03Å; L60-A208 HydrophobicContact CD1-CB 4.41Å; L60-A208 HydrophobicContact CG-CB 4.46Å; L60-A208 CarbonylContact O-C 3.58Å; L60-A208 WeakPolarHBondContact O-CA 3.43Å; A208-V210 HydrophobicContact CB-CG2 4.22Å; A208-M234 WeakPolarHBondContact CB-O 3.3Å; A208-A238 HydrophobicContact CB-CB 3.61Å; A208-T240 PolarHBondContact N-O 3.46Å; A208-T241 HydrophobicContact CB-CG2 4.27Å; A208-V242 PolarHBondContact O-N 2.81Å
209	L	98.9	Very high	98.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	115.8	172.6	-52.7	-174.7	0	0	0	108.5	V50 I53 V59 L60 V61 G62 P70 L73 L77 V242	V50-L209 HydrophobicContact CG1-CD2 3.97Å; I53-L209 HydrophobicContact CD1-CD2 4.41Å; V59-L209 HydrophobicContact CG1-CD1 4.04Å; V59-L209 HydrophobicContact CG1-CG 3.81Å; L60-L209 PolarHBondContact O-N 3.04Å; V61-L209 HydrophobicContact CG2-CB 4.48Å; V61-L209 HydrophobicContact CG2-CD1 4.47Å; G62-L209 PolarHBondContact N-O 3.33Å; P70-L209 HydrophobicContact CB-CB 4.34Å; P70-L209 HydrophobicContact CG-CB 3.94Å; L73-L209 HydrophobicContact CB-CB 4.43Å; L73-L209 HydrophobicContact CB-CD1 4.2Å; L73-L209 HydrophobicContact CB-CD2 4.38Å; L73-L209 HydrophobicContact CD1-CB 4.14Å; L73-L209 HydrophobicContact CD1-CD2 4.16Å; L77-L209 HydrophobicContact CD1-CD1 3.57Å; L77-L209 HydrophobicContact CG-CD1 4.07Å; L209-V242 HydrophobicContact CD2-CB 4.04Å; L209-V242 HydrophobicContact CD2-CG2 4.28Å
210	V	98.9	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	136.7	-167.7	177	0	0	0	0	110.3	A208 F223 N231 M234 C235 T241 V242 V243 E244	A208-V210 HydrophobicContact CB-CG2 4.22Å; V210-F223 HydrophobicContact CG1-CE1 4.16Å; V210-F223 HydrophobicContact CG1-CZ 4.36Å; V210-N231 WeakPolarHBondContact CA-OD1 3.39Å; V210-N231 HydrophobicContact CG1-CB 3.71Å; V210-M234 HydrophobicContact CG2-CB 4.43Å; V210-C235 HydrophobicContact CG1-CB 4.4Å; V210-C235 HydrophobicContact CG2-CB 4.19Å; V210-T241 HydrophobicContact CG2-CG2 4.29Å; V210-V242 PolarHBondContact N-O 3.3Å; V210-V243 HydrophobicContact CB-CG2 4.17Å; V210-V243 HydrophobicContact CG1-CG1 4.4Å; V210-V243 HydrophobicContact CG1-CG2 4.43Å; V210-V243 CarbonylContact O-C 3.49Å; V210-V243 WeakPolarHBondContact O-CA 3.36Å; V210-E244 PolarHBondContact O-N 3.39Å
211	K	98.9	Very high	98.5	Very high	9 Å²	9	31 Å²	31	4%	0.039	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	123	172.7	173.9	56.9	176.9	60.2	0	111	G68 I69 P70 F223 N231 E244 E246 Y275	G68-K211 WeakPolarHBondContact O-CB 3.5Å; I69-K211 WeakPolarHBondContact O-CB 3.27Å; I69-K211 WeakPolarHBondContact O-CG 3.02Å; P70-K211 HydrophobicContact CB-CB 4.27Å; K211-F223 WeakPolarHBondContact O-CD1 3.45Å; K211-F223 VanDerWaalsContact O-CE1 3.29Å; K211-F223 WeakPolarHBondContact O-CE1 3.38Å; K211-N231 PolarHBondContact N-OD1 2.9Å; K211-N231 VanDerWaalsContact O-CG 3.29Å; K211-N231 PolarHBondContact O-OD1 3.1Å; K211-E244 HydrophobicContact CB-CG 4.39Å; K211-E244 HydrophobicContact CD-CG 3.93Å; K211-E244 WeakPolarHBondContact CD-OE1 3.45Å; K211-E246 IonicContact NZ-OE1 2.9Å; K211-E246 PolarHBondContact NZ-OE1 3.16Å; K211-Y275 HydrophobicContact CD-CE1 3.69Å
212	A	98.9	Very high	98.5	Very high	2 Å²	2	25.7 Å²	25.7	2%	0.017	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	168.2	172.7	0	0	0	0	0	111.7	V221 F223 V243 E244 V245	A212-V221 HydrophobicContact CB-CB 4.02Å; A212-V221 HydrophobicContact CB-CG2 4.23Å; A212-F223 HydrophobicContact CB-CD1 3.89Å; A212-F223 HydrophobicContact CB-CE1 3.67Å; A212-F223 HydrophobicContact CB-CZ 4.39Å; A212-V243 HydrophobicContact CB-CG1 3.85Å; A212-E244 PolarHBondContact N-O 3.44Å; A212-V245 HydrophobicContact CB-CG1 3.8Å
213	W	98.9	Very high	98.5	Very high	79 Å²	79	24.6 Å²	24.6	30%	0.299	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	-58.5	179.4	176.2	34.5	0	0	0	110.9	I222 R224 E246 E247	W213-I222 HydrophobicContact CE3-CD1 3.68Å; W213-I222 HydrophobicContact CE3-CG1 4.21Å; W213-I222 HydrophobicContact CZ3-CD1 3.89Å; W213-I222 PolarHBondContact N-O 3.46Å; W213-R224 HydrophobicContact CB-CB 3.74Å; W213-R224 HydrophobicContact CD2-CB 3.85Å; W213-R224 HydrophobicContact CD2-CG 4.29Å; W213-R224 HydrophobicContact CE3-CB 4.01Å; W213-R224 HydrophobicContact CE3-CG 4.43Å; W213-R224 HydrophobicContact CG-CB 3.75Å; W213-E246 WeakPolarHBondContact O-CB 3.34Å; W213-E246 PolarHBondContact O-N 3.49Å; W213-E247 PolarHBondContact O-N 2.7Å
214	K	98.8	Very high	98.5	Very high	39 Å²	39	27.1 Å²	27.1	17%	0.17	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	152.6	179.4	-46.9	-162.9	-174.1	-156.5	0	111.4	V221 I222 E247 V249 F254	K214-V221 WeakPolarHBondContact O-CA 3.36Å; K214-I222 HydrophobicContact CB-CD1 4.2Å; K214-I222 HydrophobicContact CB-CG1 3.88Å; K214-I222 HydrophobicContact CD-CD1 4.45Å; K214-I222 HydrophobicContact CG-CD1 4.25Å; K214-I222 HydrophobicContact CG-CG1 4.33Å; K214-I222 PolarHBondContact N-O 3.17Å; K214-I222 PolarHBondContact O-N 2.88Å; K214-E247 VanDerWaalsContact CA-O 3.24Å; K214-E247 WeakPolarHBondContact CA-O 3.44Å; K214-E247 HydrophobicContact CD-CB 4.3Å; K214-E247 WeakPolarHBondContact CD-OE2 3.4Å; K214-E247 WeakPolarHBondContact CE-OE2 3.21Å; K214-E247 HydrophobicContact CG-CB 4.12Å; K214-E247 IonicContact NZ-OE1 3.33Å; K214-E247 IonicContact NZ-OE2 2.64Å; K214-E247 PolarHBondContact NZ-OE2 3.08Å; K214-V249 HydrophobicContact CD-CG1 3.98Å; K214-F254 HydrophobicContact CB-CE1 4.17Å; K214-F254 HydrophobicContact CB-CZ 3.79Å; K214-F254 HydrophobicContact CD-CE1 4.45Å
215	A	98.8	Very high	98.5	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	147.3	165	0	0	0	0	0	111	N220 V221 V245 E247 I248 V249 L269	A215-N220 CarbonylContact C-O 3.53Å; A215-N220 WeakPolarHBondContact CA-O 3.23Å; A215-V221 HydrophobicContact CB-CG1 3.75Å; A215-V245 HydrophobicContact CB-CG1 3.9Å; A215-V245 HydrophobicContact CB-CG2 4.11Å; A215-E247 PolarHBondContact N-O 3.03Å; A215-I248 CarbonylContact O-C 3.54Å; A215-I248 VanDerWaalsContact O-CA 3.26Å; A215-I248 WeakPolarHBondContact O-CA 3.47Å; A215-V249 WeakPolarHBondContact O-CG2 3.26Å; A215-V249 PolarHBondContact O-N 3Å; A215-L269 HydrophobicContact CB-CD1 3.75Å; A215-L269 HydrophobicContact CB-CD2 3.38Å; A215-L269 HydrophobicContact CB-CG 4.15Å
216	D	98.2	Very high	98.5	Very high	5 Å²	5	25.5 Å²	25.5	3%	0.027	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	170.8	166.6	73.1	11.3	0	0	0	111.5	A218 G219 N220 V249 F254	D216-A218 PolarHBondContact O-N 3.41Å; D216-A218 VanDerWaalsContact O-N 3.13Å; D216-A218 VanDerWaalsContact OD1-CA 3.28Å; D216-A218 WeakPolarHBondContact OD1-CA 3.34Å; D216-A218 VanDerWaalsContact OD1-CB 3.31Å; D216-A218 WeakPolarHBondContact OD1-CB 3.48Å; D216-A218 PolarHBondContact OD1-N 3.17Å; D216-G219 PolarHBondContact O-N 2.67Å; D216-G219 PolarHBondContact OD1-N 3.16Å; D216-N220 PolarHBondContact N-O 2.82Å; D216-N220 PolarHBondContact OD1-N 3.07Å; D216-N220 PolarHBondContact OD1-ND2 3.38Å; D216-N220 PolarHBondContact OD2-ND2 2.94Å; D216-V249 CarbonylContact C-O 3.52Å; D216-V249 VanDerWaalsContact CA-O 3.26Å; D216-V249 WeakPolarHBondContact CA-O 3.46Å; D216-V249 HydrophobicContact CB-CG2 4.13Å; D216-F254 HydrophobicContact CB-CD2 4.14Å; D216-F254 HydrophobicContact CB-CE2 3.77Å
217	R	96.5	Very high	98.5	Very high	130 Å²	130	22.4 Å²	22.4	49%	0.491	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-2.3	175.5	-61.7	-176.8	-172.4	-82.7	-0.9	114.5	R38 I248 V249 D250 I251	R38-R217 PolarHBondContact NH1-O 3.11Å; R217-I248 HydrophobicContact CG-CG2 4.21Å; R217-V249 WeakPolarHBondContact CG-O 3.36Å; R217-V249 PolarHBondContact N-O 2.96Å; R217-D250 IonicContact CZ-OD1 3.64Å; R217-D250 IonicContact NE-OD1 2.84Å; R217-D250 PolarHBondContact NE-OD1 3.34Å; R217-D250 IonicContact NH2-OD1 2.76Å; R217-I251 HydrophobicContact CB-CD1 4.23Å; R217-I251 HydrophobicContact CB-CG1 4.07Å
218	A	96.2	Very high	98.5	Very high	14 Å²	14	23.6 Å²	23.6	12%	0.116	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91	-16.7	169.5	0	0	0	0	0	112.1	D216 I251 Q263	D216-A218 PolarHBondContact O-N 3.41Å; D216-A218 VanDerWaalsContact O-N 3.13Å; D216-A218 VanDerWaalsContact OD1-CA 3.28Å; D216-A218 WeakPolarHBondContact OD1-CA 3.34Å; D216-A218 VanDerWaalsContact OD1-CB 3.31Å; D216-A218 WeakPolarHBondContact OD1-CB 3.48Å; D216-A218 PolarHBondContact OD1-N 3.17Å; A218-I251 HydrophobicContact CB-CD1 3.81Å; A218-I251 HydrophobicContact CB-CG1 3.84Å; A218-Q263 WeakPolarHBondContact O-CB 3.18Å; A218-Q263 WeakPolarHBondContact O-CG 3.31Å; A218-Q263 PolarHBondContact O-OE1 3.45Å
219	G	97.7	Very high	98.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	10%	0.1	C	C	.	.			trans	100.5	4.9	-178	0	0	0	0	0	113.9	D216 Q263 V266	D216-G219 PolarHBondContact O-N 2.67Å; D216-G219 PolarHBondContact OD1-N 3.16Å; G219-Q263 VanDerWaalsContact C-CB 3.44Å; G219-Q263 WeakPolarHBondContact O-CA 3.5Å; G219-V266 WeakPolarHBondContact O-CG2 3.37Å
220	N	98.4	Very high	98.5	Very high	24 Å²	24	23.6 Å²	23.6	13%	0.128	10%	0.1	C	C	.	.			trans	-71.4	138.8	175.1	-59.9	-55.4	0	0	0	109.4	A215 D216 F254 I259 Q263	A215-N220 CarbonylContact C-O 3.53Å; A215-N220 WeakPolarHBondContact CA-O 3.23Å; D216-N220 PolarHBondContact N-O 2.82Å; D216-N220 PolarHBondContact OD1-N 3.07Å; D216-N220 PolarHBondContact OD1-ND2 3.38Å; D216-N220 PolarHBondContact OD2-ND2 2.94Å; N220-F254 HydrophobicContact CB-CD2 4.49Å; N220-I259 HydrophobicContact CB-CD1 3.87Å; N220-I259 HydrophobicContact CB-CG1 4.11Å; N220-I259 HydrophobicContact CB-CG2 3.84Å; N220-Q263 PolarHBondContact OD1-N 2.89Å
221	V	98.7	Very high	98.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145	-176.1	-51.4	0	0	0	0	113.5	A212 K214 A215 F223 V243 H260 I261 V266 L269	A212-V221 HydrophobicContact CB-CB 4.02Å; A212-V221 HydrophobicContact CB-CG2 4.23Å; K214-V221 WeakPolarHBondContact O-CA 3.36Å; A215-V221 HydrophobicContact CB-CG1 3.75Å; V221-F223 HydrophobicContact CG2-CZ 4.36Å; V221-V243 HydrophobicContact CG1-CG1 4.29Å; V221-H260 PolarHBondContact O-N 3.01Å; V221-I261 HydrophobicContact CG2-CB 3.5Å; V221-I261 HydrophobicContact CG2-CG1 4.27Å; V221-I261 HydrophobicContact CG2-CG2 3.81Å; V221-I261 PolarHBondContact N-O 3.24Å; V221-I261 PolarHBondContact O-N 3.32Å; V221-I261 VanDerWaalsContact O-N 3.12Å; V221-V266 HydrophobicContact CG1-CG2 4.19Å; V221-V266 HydrophobicContact CG2-CG2 4.39Å; V221-L269 HydrophobicContact CG1-CD1 4.37Å
222	I	98.9	Very high	98.5	Very high	21 Å²	21	23.9 Å²	23.9	11%	0.108	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	156	172.7	62.7	166.8	0	0	0	110.5	W213 K214 F254 D258	W213-I222 HydrophobicContact CE3-CD1 3.68Å; W213-I222 HydrophobicContact CE3-CG1 4.21Å; W213-I222 HydrophobicContact CZ3-CD1 3.89Å; W213-I222 PolarHBondContact N-O 3.46Å; K214-I222 HydrophobicContact CB-CD1 4.2Å; K214-I222 HydrophobicContact CB-CG1 3.88Å; K214-I222 HydrophobicContact CD-CD1 4.45Å; K214-I222 HydrophobicContact CG-CD1 4.25Å; K214-I222 HydrophobicContact CG-CG1 4.33Å; K214-I222 PolarHBondContact N-O 3.17Å; K214-I222 PolarHBondContact O-N 2.88Å; I222-F254 HydrophobicContact CD1-CD1 4.01Å; I222-F254 HydrophobicContact CD1-CE1 3.55Å; I222-F254 HydrophobicContact CD1-CZ 4.13Å; I222-F254 HydrophobicContact CG1-CE1 3.94Å; I222-F254 HydrophobicContact CG1-CZ 3.98Å; I222-F254 HydrophobicContact CG2-CD1 4.4Å; I222-F254 HydrophobicContact CG2-CD2 4.39Å; I222-F254 HydrophobicContact CG2-CE2 4.47Å; I222-F254 HydrophobicContact CG2-CG 4.36Å; I222-D258 WeakPolarHBondContact CG2-O 3.47Å
223	F	98.9	Very high	98.5	Very high	8 Å²	8	23.8 Å²	23.8	4%	0.035	10%	0.101	C	C	.	.			trans	-119.3	148.9	-177.1	-59.8	-81.1	0	0	0	108.8	V210 K211 A212 V221 R228 N231 L232 H260 I261	V210-F223 HydrophobicContact CG1-CE1 4.16Å; V210-F223 HydrophobicContact CG1-CZ 4.36Å; K211-F223 WeakPolarHBondContact O-CD1 3.45Å; K211-F223 VanDerWaalsContact O-CE1 3.29Å; K211-F223 WeakPolarHBondContact O-CE1 3.38Å; A212-F223 HydrophobicContact CB-CD1 3.89Å; A212-F223 HydrophobicContact CB-CE1 3.67Å; A212-F223 HydrophobicContact CB-CZ 4.39Å; V221-F223 HydrophobicContact CG2-CZ 4.36Å; F223-R228 HydrophobicContact CB-CB 3.65Å; F223-R228 HydrophobicContact CB-CG 3.84Å; F223-R228 HydrophobicContact CD2-CB 4.42Å; F223-R228 HydrophobicContact CD2-CG 3.69Å; F223-R228 HydrophobicContact CE2-CG 4.41Å; F223-R228 HydrophobicContact CG-CB 4.03Å; F223-R228 HydrophobicContact CG-CG 3.81Å; F223-N231 HydrophobicContact CD1-CB 4.13Å; F223-N231 HydrophobicContact CE1-CB 3.49Å; F223-N231 VanDerWaalsContact CE1-CB 3.49Å; F223-N231 HydrophobicContact CZ-CB 4.04Å; F223-L232 HydrophobicContact CE2-CB 3.9Å; F223-L232 HydrophobicContact CE2-CD1 4.26Å; F223-L232 HydrophobicContact CE2-CG 4.19Å; F223-L232 HydrophobicContact CZ-CB 4.3Å; F223-H260 HydrophobicContact CD2-CB 3.72Å; F223-H260 AromaticContact CD2-ND1 3.65Å; F223-H260 HydrophobicContact CE2-CB 4.03Å; F223-H260 PolarHBondContact N-ND1 3.39Å; F223-H260 PolarHBondContact O-CE1 2.96Å; F223-I261 HydrophobicContact CE2-CG1 3.8Å; F223-I261 HydrophobicContact CZ-CG1 4.14Å
224	R	98.8	Very high	98.5	Very high	67 Å²	67	20 Å²	20	25%	0.253	9%	0.087	S	C	.	.			trans	-105.4	124.2	-179	-175.7	170.7	-180	-79.2	-3.9	110.4	W213 A227 D360 D362	W213-R224 HydrophobicContact CB-CB 3.74Å; W213-R224 HydrophobicContact CD2-CB 3.85Å; W213-R224 HydrophobicContact CD2-CG 4.29Å; W213-R224 HydrophobicContact CE3-CB 4.01Å; W213-R224 HydrophobicContact CE3-CG 4.43Å; W213-R224 HydrophobicContact CG-CB 3.75Å; R224-A227 WeakPolarHBondContact O-CB 3.47Å; R224-A227 PolarHBondContact O-N 3.22Å; R224-D360 IonicContact CZ-OD1 3.89Å; R224-D360 IonicContact CZ-OD2 3.65Å; R224-D360 VanDerWaalsContact NH1-CG 3.27Å; R224-D360 IonicContact NH1-OD1 3.61Å; R224-D360 PolarHBondContact NH1-OD1 3.14Å; R224-D360 IonicContact NH1-OD2 2.76Å; R224-D360 PolarHBondContact NH1-OD2 2.76Å; R224-D360 IonicContact NH2-OD2 3.63Å; R224-D360 PolarHBondContact NH2-OD2 3.06Å; R224-D362 IonicContact CZ-OD2 2.79Å; R224-D362 IonicContact NH1-OD2 3.07Å; R224-D362 PolarHBondContact NH1-OD2 3.03Å
225	K	98.8	Very high	98.5	Very high	54 Å²	54	18.1 Å²	18.1	24%	0.235	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	51.8	-136.1	173.9	-57.5	-173.6	-179.2	-176.5	0	112.7	A227 D360 D362 L363 F379	K225-A227 VanDerWaalsContact C-N 3.26Å; K225-A227 PolarHBondContact O-N 3.26Å; K225-D360 WeakPolarHBondContact CE-OD2 3.25Å; K225-D360 IonicContact NZ-OD2 2.8Å; K225-D360 PolarHBondContact NZ-OD2 3.02Å; K225-D362 HydrophobicContact CB-CB 4.23Å; K225-D362 VanDerWaalsContact CB-O 3.23Å; K225-D362 WeakPolarHBondContact CB-O 3.23Å; K225-L363 HydrophobicContact CD-CB 3.86Å; K225-L363 HydrophobicContact CD-CD2 4.26Å; K225-L363 HydrophobicContact CD-CG 4.48Å; K225-F379 HydrophobicContact CB-CD1 4.36Å; K225-F379 HydrophobicContact CB-CE1 3.85Å; K225-F379 HydrophobicContact CB-CE2 4.11Å; K225-F379 HydrophobicContact CB-CZ 3.7Å; K225-F379 HydrophobicContact CD-CZ 4.47Å; K225-F379 HydrophobicContact CG-CE1 4.49Å; K225-F379 HydrophobicContact CG-CE2 3.99Å; K225-F379 HydrophobicContact CG-CZ 3.84Å
226	S	98.7	Very high	98.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-78.9	-3.8	-177.2	72.9	0	0	0	0	114.2	R228 N229 N345 D362 L363 I364	S226-R228 PolarHBondContact O-N 3.33Å; S226-R228 VanDerWaalsContact O-N 3.15Å; S226-N229 PolarHBondContact O-ND2 3.4Å; S226-N345 WeakPolarHBondContact CB-ND2 3.4Å; S226-D362 WeakPolarHBondContact CA-O 3.48Å; S226-D362 WeakPolarHBondContact CB-O 3.32Å; S226-D362 PolarHBondContact N-O 3.38Å; S226-D362 PolarHBondContact OG-O 3.43Å; S226-L363 WeakPolarHBondContact OG-CA 3.3Å; S226-I364 PolarHBondContact OG-N 3.11Å
227	A	98.9	Very high	98.5	Very high	6 Å²	6	21 Å²	21	5%	0.05	9%	0.092	C	C	.	.	G	3₁₀ helix	trans	-68.9	-6.8	173.5	0	0	0	0	0	113	R224 K225 N231 D362	R224-A227 WeakPolarHBondContact O-CB 3.47Å; R224-A227 PolarHBondContact O-N 3.22Å; K225-A227 VanDerWaalsContact C-N 3.26Å; K225-A227 PolarHBondContact O-N 3.26Å; A227-N231 PolarHBondContact O-ND2 3.03Å; A227-D362 HydrophobicContact CB-CB 4.09Å; A227-D362 PolarHBondContact N-O 3.06Å
228	R	98.9	Very high	98.6	Very high	38 Å²	38	15.6 Å²	15.6	14%	0.143	7%	0.074	C	C	.	.	G	3₁₀ helix	trans	-66.4	-45.9	175.7	-173.6	-178.4	-57.4	176.3	6.4	112.9	F223 S226 F230 N231 L232 H260 F379	F223-R228 HydrophobicContact CB-CB 3.65Å; F223-R228 HydrophobicContact CB-CG 3.84Å; F223-R228 HydrophobicContact CD2-CB 4.42Å; F223-R228 HydrophobicContact CD2-CG 3.69Å; F223-R228 HydrophobicContact CE2-CG 4.41Å; F223-R228 HydrophobicContact CG-CB 4.03Å; F223-R228 HydrophobicContact CG-CG 3.81Å; S226-R228 PolarHBondContact O-N 3.33Å; S226-R228 VanDerWaalsContact O-N 3.15Å; R228-F230 PolarHBondContact O-N 2.76Å; R228-N231 VanDerWaalsContact O-CB 3.31Å; R228-N231 WeakPolarHBondContact O-CB 3.49Å; R228-N231 PolarHBondContact O-N 3.23Å; R228-N231 VanDerWaalsContact O-N 3.13Å; R228-L232 HydrophobicContact CG-CB 4.1Å; R228-L232 HydrophobicContact CG-CD1 4.14Å; R228-L232 PolarHBondContact O-N 2.89Å; R228-H260 PolarHBondContact NH2-CE1 3.41Å; R228-H260 PolarHBondContact NH2-NE2 2.88Å; R228-F379 PolarHBondContact NH1-O 3.31Å
229	N	98.8	Very high	98.8	Very high	0 Å²	0	22 Å²	22	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	12.2	-117.2	179.2	56.3	63.4	0	0	0	116.3	G63 F64 C67 S226 N231 S382	G63-N229 WeakPolarHBondContact CA-OD1 3.11Å; G63-N229 PolarHBondContact N-OD1 3.39Å; G63-N229 VanDerWaalsContact N-OD1 3.16Å; F64-N229 HydrophobicContact CB-CB 3.92Å; F64-N229 PolarHBondContact N-ND2 3.34Å; C67-N229 PolarHBondContact O-ND2 3Å; S226-N229 PolarHBondContact O-ND2 3.4Å; N229-N231 VanDerWaalsContact C-N 3.34Å; N229-N231 PolarHBondContact OD1-ND2 2.89Å; N229-S382 WeakPolarHBondContact CA-OG 3.49Å; N229-S382 PolarHBondContact O-N 2.98Å
230	F	98.9	Very high	98.8	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-16	-179.6	-80.8	-94.8	0	0	0	113.5	N90 Q138 L141 A142 I145 R228 L232 P233 M234 S382	N90-F230 HydrophobicContact CB-CD2 3.72Å; N90-F230 HydrophobicContact CB-CE2 3.58Å; N90-F230 HydrophobicContact CB-CG 4.35Å; N90-F230 HydrophobicContact CB-CZ 4.09Å; N90-F230 VanDerWaalsContact CG-CE2 3.47Å; Q138-F230 HydrophobicContact CG-CE2 3.93Å; Q138-F230 HydrophobicContact CG-CZ 3.71Å; L141-F230 HydrophobicContact CB-CE1 4.24Å; L141-F230 HydrophobicContact CD2-CE1 3.92Å; L141-F230 HydrophobicContact CD2-CZ 4.22Å; L141-F230 HydrophobicContact CG-CE1 3.84Å; L141-F230 HydrophobicContact CG-CZ 4.45Å; A142-F230 HydrophobicContact CB-CD1 4.44Å; A142-F230 HydrophobicContact CB-CE1 3.69Å; A142-F230 HydrophobicContact CB-CZ 4.03Å; I145-F230 HydrophobicContact CD1-CD1 4.06Å; I145-F230 HydrophobicContact CD1-CE1 4.36Å; R228-F230 PolarHBondContact O-N 2.76Å; F230-L232 VanDerWaalsContact C-N 3.27Å; F230-L232 PolarHBondContact O-N 3.46Å; F230-P233 VanDerWaalsContact O-CD 3.25Å; F230-P233 WeakPolarHBondContact O-CD 3.16Å; F230-P233 WeakPolarHBondContact O-CG 3.45Å; F230-M234 HydrophobicContact CB-CE 4.06Å; F230-M234 HydrophobicContact CB-CG 4.49Å; F230-M234 HydrophobicContact CB-SD 4.03Å; F230-M234 HydrophobicContact CD1-CE 4.06Å; F230-M234 HydrophobicContact CG-CE 4.4Å; F230-M234 VanDerWaalsContact O-CB 3.27Å; F230-M234 WeakPolarHBondContact O-CB 3.21Å; F230-M234 WeakPolarHBondContact O-CG 3.32Å; F230-M234 PolarHBondContact O-N 3.39Å; F230-S382 VanDerWaalsContact CD2-OG 3.24Å; F230-S382 WeakPolarHBondContact CD2-OG 3.09Å; F230-S382 WeakPolarHBondContact CE2-OG 3.31Å; F230-S382 PolarHBondContact N-OG 3.01Å
231	N	98.9	Very high	98.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-54.3	-44	178.7	-76.2	-64.4	0	0	0	112.1	G62 G68 V210 K211 F223 A227 R228 N229 C235	G62-N231 WeakPolarHBondContact CA-OD1 3.41Å; G68-N231 PolarHBondContact O-ND2 2.83Å; V210-N231 WeakPolarHBondContact CA-OD1 3.39Å; V210-N231 HydrophobicContact CG1-CB 3.71Å; K211-N231 PolarHBondContact N-OD1 2.9Å; K211-N231 VanDerWaalsContact O-CG 3.29Å; K211-N231 PolarHBondContact O-OD1 3.1Å; F223-N231 HydrophobicContact CD1-CB 4.13Å; F223-N231 HydrophobicContact CE1-CB 3.49Å; F223-N231 VanDerWaalsContact CE1-CB 3.49Å; F223-N231 HydrophobicContact CZ-CB 4.04Å; A227-N231 PolarHBondContact O-ND2 3.03Å; R228-N231 VanDerWaalsContact O-CB 3.31Å; R228-N231 WeakPolarHBondContact O-CB 3.49Å; R228-N231 PolarHBondContact O-N 3.23Å; R228-N231 VanDerWaalsContact O-N 3.13Å; N229-N231 VanDerWaalsContact C-N 3.34Å; N229-N231 PolarHBondContact OD1-ND2 2.89Å; N231-C235 WeakPolarHBondContact O-CB 3.07Å; N231-C235 PolarHBondContact O-N 3.43Å
232	L	98.9	Very high	98.8	Very high	14 Å²	14	22.2 Å²	22.2	7%	0.073	11%	0.105	C	C	.	.	H	α-helix	trans	-64.1	-55.5	-178.4	-171.7	157.9	0	0	0	113.2	F223 R228 F230 M234 C235 K236 H260 I261	F223-L232 HydrophobicContact CE2-CB 3.9Å; F223-L232 HydrophobicContact CE2-CD1 4.26Å; F223-L232 HydrophobicContact CE2-CG 4.19Å; F223-L232 HydrophobicContact CZ-CB 4.3Å; R228-L232 HydrophobicContact CG-CB 4.1Å; R228-L232 HydrophobicContact CG-CD1 4.14Å; R228-L232 PolarHBondContact O-N 2.89Å; F230-L232 VanDerWaalsContact C-N 3.27Å; F230-L232 PolarHBondContact O-N 3.46Å; L232-M234 VanDerWaalsContact C-N 3.35Å; L232-M234 PolarHBondContact O-N 3.25Å; L232-C235 WeakPolarHBondContact O-CB 3.46Å; L232-C235 PolarHBondContact O-N 2.92Å; L232-K236 VanDerWaalsContact CD2-NZ 3.34Å; L232-H260 HydrophobicContact CD1-CB 4.26Å; L232-I261 HydrophobicContact CD2-CD1 4.21Å; L232-I261 HydrophobicContact CG-CD1 3.86Å; L232-I261 HydrophobicContact CG-CG1 4.09Å
233	P	98.9	Very high	98.8	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.5	-36.6	178.6	23	-33.1	0	0	0	112.4	I145 F230 C235 K236 D383	I145-P233 HydrophobicContact CG2-CB 4.06Å; F230-P233 VanDerWaalsContact O-CD 3.25Å; F230-P233 WeakPolarHBondContact O-CD 3.16Å; F230-P233 WeakPolarHBondContact O-CG 3.45Å; P233-C235 VanDerWaalsContact C-N 3.3Å; P233-C235 PolarHBondContact O-N 3.48Å; P233-K236 PolarHBondContact O-N 2.7Å; P233-D383 HydrophobicContact CB-CB 4.28Å; P233-D383 HydrophobicContact CG-CB 4.4Å
234	M	98.9	Very high	98.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-65.6	-31.8	179.3	-72.5	178.8	169.6	0	0	113.4	L60 V61 G62 V88 I145 A208 V210 F230 L232 K236 A237	L60-M234 HydrophobicContact CB-CB 4.09Å; L60-M234 HydrophobicContact CB-CE 4.47Å; L60-M234 HydrophobicContact CB-CG 3.94Å; L60-M234 HydrophobicContact CB-SD 4.02Å; L60-M234 HydrophobicContact CD1-CB 4.24Å; L60-M234 HydrophobicContact CD1-CG 4.25Å; V61-M234 VanDerWaalsContact O-SD 3.41Å; G62-M234 VanDerWaalsContact CA-SD 3.57Å; G62-M234 PolarHBondContact N-SD 2.83Å; G62-M234 VanDerWaalsContact N-SD 3.4Å; V88-M234 VanDerWaalsContact O-CE 3.25Å; V88-M234 WeakPolarHBondContact O-CE 3.39Å; I145-M234 HydrophobicContact CD1-CE 3.58Å; I145-M234 HydrophobicContact CD1-CG 4.01Å; I145-M234 HydrophobicContact CG2-CB 4.42Å; I145-M234 HydrophobicContact CG2-CG 3.89Å; A208-M234 WeakPolarHBondContact CB-O 3.3Å; V210-M234 HydrophobicContact CG2-CB 4.43Å; F230-M234 HydrophobicContact CB-CE 4.06Å; F230-M234 HydrophobicContact CB-CG 4.49Å; F230-M234 HydrophobicContact CB-SD 4.03Å; F230-M234 HydrophobicContact CD1-CE 4.06Å; F230-M234 HydrophobicContact CG-CE 4.4Å; F230-M234 VanDerWaalsContact O-CB 3.27Å; F230-M234 WeakPolarHBondContact O-CB 3.21Å; F230-M234 WeakPolarHBondContact O-CG 3.32Å; F230-M234 PolarHBondContact O-N 3.39Å; L232-M234 VanDerWaalsContact C-N 3.35Å; L232-M234 PolarHBondContact O-N 3.25Å; M234-K236 PolarHBondContact O-N 2.78Å; M234-A237 PolarHBondContact O-N 3.02Å
235	C	98.8	Very high	98.8	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-19	177.1	-160.6	0	0	0	0	113.3	V210 N231 L232 P233 T241 I261	V210-C235 HydrophobicContact CG1-CB 4.4Å; V210-C235 HydrophobicContact CG2-CB 4.19Å; N231-C235 WeakPolarHBondContact O-CB 3.07Å; N231-C235 PolarHBondContact O-N 3.43Å; L232-C235 WeakPolarHBondContact O-CB 3.46Å; L232-C235 PolarHBondContact O-N 2.92Å; P233-C235 VanDerWaalsContact C-N 3.3Å; P233-C235 PolarHBondContact O-N 3.48Å; C235-T241 HydrophobicContact CB-CG2 4.35Å; C235-T241 PolarHBondContact O-OG1 3.15Å; C235-T241 VanDerWaalsContact SG-CG2 3.55Å; C235-I261 HydrophobicContact CB-CD1 4.13Å; C235-I261 HydrophobicContact CB-CG1 4.29Å
236	K	98.9	Very high	98.8	Very high	63 Å²	63	17.1 Å²	17.1	27%	0.274	8%	0.084	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	-11.1	-174.3	-52.3	174.7	-173.6	173.5	0	113.7	G149 L232 P233 M234 I261 Y265	G149-K236 WeakPolarHBondContact CA-O 3.35Å; L232-K236 VanDerWaalsContact CD2-NZ 3.34Å; P233-K236 PolarHBondContact O-N 2.7Å; M234-K236 PolarHBondContact O-N 2.78Å; K236-I261 HydrophobicContact CD-CD1 4.34Å; K236-I261 HydrophobicContact CG-CD1 4.07Å; K236-Y265 HydrophobicContact CB-CD1 4Å; K236-Y265 HydrophobicContact CB-CE1 4.11Å; K236-Y265 HydrophobicContact CG-CD1 3.96Å; K236-Y265 HydrophobicContact CG-CD2 4.25Å; K236-Y265 HydrophobicContact CG-CE1 4.11Å; K236-Y265 HydrophobicContact CG-CE2 4.4Å; K236-Y265 HydrophobicContact CG-CG 4.02Å
237	A	98.8	Very high	98.8	Very high	3 Å²	3	20.9 Å²	20.9	3%	0.025	10%	0.101	C	C	.	.	S	Bend	trans	-116.4	28.7	-162.1	0	0	0	0	0	113.3	L60 I145 T204 G205 M234	L60-A237 HydrophobicContact CD1-CB 3.76Å; L60-A237 WeakPolarHBondContact CD1-O 3.49Å; I145-A237 HydrophobicContact CG2-CB 3.72Å; I145-A237 VanDerWaalsContact O-CB 3.23Å; I145-A237 WeakPolarHBondContact O-CB 3.32Å; T204-A237 CarbonylContact C-O 3.51Å; T204-A237 VanDerWaalsContact CA-O 3.25Å; T204-A237 WeakPolarHBondContact CA-O 3.31Å; G205-A237 PolarHBondContact N-O 2.87Å; M234-A237 PolarHBondContact O-N 3.02Å
238	A	98.8	Very high	98.8	Very high	15 Å²	15	22.9 Å²	22.9	12%	0.124	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	152.8	176.5	0	0	0	0	0	113.2	L60 G205 F207 A208 T240	L60-A238 HydrophobicContact CD1-CB 4.47Å; G205-A238 WeakPolarHBondContact O-CA 3.45Å; G205-A238 WeakPolarHBondContact O-CB 3.37Å; F207-A238 VanDerWaalsContact C-CB 3.43Å; A208-A238 HydrophobicContact CB-CB 3.61Å; A238-T240 VanDerWaalsContact C-N 3.32Å; A238-T240 PolarHBondContact O-N 3.39Å
239	E	98.6	Very high	98.8	Very high	148 Å²	148	22 Å²	22	69%	0.692	11%	0.11	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	-41.6	175.2	-64.1	-63.8	151.7	0	0	111.1	G205 D206 H267	G205-E239 PolarHBondContact O-N 2.93Å; G205-E239 VanDerWaalsContact O-N 3.13Å; D206-E239 WeakPolarHBondContact O-CB 3.38Å; E239-H267 PolarHBondContact O-CE1 3.47Å; E239-H267 PolarHBondContact O-ND1 3.3Å
240	T	98.7	Very high	98.8	Very high	29 Å²	29	26.8 Å²	26.8	18%	0.178	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	106.9	174.2	-62.8	0	0	0	0	112.9	D206 F207 A208 A238 V242 H267 R268	D206-T240 PolarHBondContact O-N 3.08Å; F207-T240 VanDerWaalsContact CA-O 3.23Å; F207-T240 WeakPolarHBondContact CA-O 3.19Å; F207-T240 HydrophobicContact CD1-CG2 3.68Å; F207-T240 HydrophobicContact CE1-CG2 3.5Å; F207-T240 VanDerWaalsContact CE1-CG2 3.5Å; F207-T240 HydrophobicContact CZ-CG2 4.45Å; A208-T240 PolarHBondContact N-O 3.46Å; A238-T240 VanDerWaalsContact C-N 3.32Å; A238-T240 PolarHBondContact O-N 3.39Å; T240-V242 HydrophobicContact CG2-CG2 4.3Å; T240-H267 WeakPolarHBondContact CA-ND1 3.44Å; T240-R268 HydrophobicContact CG2-CG 4.32Å
241	T	98.9	Very high	98.7	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	125.8	173.8	-57.6	0	0	0	0	111.9	A208 V210 C235 V243 Y265 H267 R268	A208-T241 HydrophobicContact CB-CG2 4.27Å; V210-T241 HydrophobicContact CG2-CG2 4.29Å; C235-T241 HydrophobicContact CB-CG2 4.35Å; C235-T241 PolarHBondContact O-OG1 3.15Å; C235-T241 VanDerWaalsContact SG-CG2 3.55Å; T241-V243 HydrophobicContact CG2-CG2 3.89Å; T241-Y265 VanDerWaalsContact CB-O 3.28Å; T241-Y265 WeakPolarHBondContact CB-O 3.48Å; T241-Y265 PolarHBondContact OG1-O 2.95Å; T241-H267 PolarHBondContact N-ND1 2.7Å; T241-H267 PolarHBondContact O-N 3.15Å; T241-R268 PolarHBondContact O-N 3.35Å
242	V	98.9	Very high	98.5	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	114.8	175.3	-167.5	0	0	0	0	109	A49 V50 L73 F207 A208 L209 V210 T240 R268	A49-V242 HydrophobicContact CB-CG1 3.93Å; V50-V242 HydrophobicContact CG1-CG1 4.37Å; L73-V242 HydrophobicContact CD1-CB 4.16Å; L73-V242 HydrophobicContact CD1-CG1 3.83Å; L73-V242 WeakPolarHBondContact CD1-O 3.4Å; L73-V242 HydrophobicContact CD2-CG1 3.76Å; L73-V242 HydrophobicContact CG-CG1 4.48Å; F207-V242 HydrophobicContact CD1-CG2 4.39Å; A208-V242 PolarHBondContact O-N 2.81Å; L209-V242 HydrophobicContact CD2-CB 4.04Å; L209-V242 HydrophobicContact CD2-CG2 4.28Å; V210-V242 PolarHBondContact N-O 3.3Å; T240-V242 HydrophobicContact CG2-CG2 4.3Å; V242-R268 WeakPolarHBondContact CA-O 3.07Å; V242-R268 HydrophobicContact CB-CB 4.38Å; V242-R268 HydrophobicContact CG1-CB 4.09Å; V242-R268 HydrophobicContact CG2-CB 4.18Å; V242-R268 HydrophobicContact CG2-CG 4.43Å
243	V	98.9	Very high	98.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	127.8	-179.4	-172.9	0	0	0	0	109.9	V210 A212 V221 T241 V245 V266 R268 L269 I270	V210-V243 HydrophobicContact CB-CG2 4.17Å; V210-V243 HydrophobicContact CG1-CG1 4.4Å; V210-V243 HydrophobicContact CG1-CG2 4.43Å; V210-V243 CarbonylContact O-C 3.49Å; V210-V243 WeakPolarHBondContact O-CA 3.36Å; A212-V243 HydrophobicContact CB-CG1 3.85Å; V221-V243 HydrophobicContact CG1-CG1 4.29Å; T241-V243 HydrophobicContact CG2-CG2 3.89Å; V243-V245 HydrophobicContact CG1-CG1 4.16Å; V243-V266 HydrophobicContact CB-CG1 4.17Å; V243-V266 HydrophobicContact CG2-CB 4.46Å; V243-V266 HydrophobicContact CG2-CG1 3.76Å; V243-V266 HydrophobicContact CG2-CG2 4.15Å; V243-R268 PolarHBondContact N-O 2.71Å; V243-L269 HydrophobicContact CB-CD1 3.91Å; V243-L269 HydrophobicContact CG1-CD1 4.1Å; V243-L269 WeakPolarHBondContact O-CA 3.49Å; V243-I270 PolarHBondContact O-N 3.29Å
244	E	98.9	Very high	98.5	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	139.7	165	61	164.3	-132.9	0	0	111.6	P70 E71 N72 L73 V210 K211 A212 I270 Y275	P70-E244 VanDerWaalsContact C-CD 3.48Å; P70-E244 VanDerWaalsContact CA-CD 3.45Å; P70-E244 WeakPolarHBondContact CA-OE1 3.26Å; P70-E244 HydrophobicContact CB-CG 4Å; E71-E244 PolarHBondContact N-OE1 3.39Å; N72-E244 VanDerWaalsContact CA-OE2 3.28Å; N72-E244 WeakPolarHBondContact CA-OE2 3.31Å; N72-E244 WeakPolarHBondContact CB-OE2 3.33Å; N72-E244 PolarHBondContact N-OE2 3.45Å; N72-E244 PolarHBondContact ND2-OE2 2.62Å; L73-E244 HydrophobicContact CD1-CB 4.11Å; L73-E244 HydrophobicContact CD1-CG 4.01Å; L73-E244 HydrophobicContact CG-CB 4.09Å; L73-E244 HydrophobicContact CG-CG 4.09Å; L73-E244 PolarHBondContact N-OE2 3.09Å; V210-E244 PolarHBondContact O-N 3.39Å; K211-E244 HydrophobicContact CB-CG 4.39Å; K211-E244 HydrophobicContact CD-CG 3.93Å; K211-E244 WeakPolarHBondContact CD-OE1 3.45Å; A212-E244 PolarHBondContact N-O 3.44Å; E244-I270 CarbonylContact C-O 3.58Å; E244-I270 VanDerWaalsContact CA-O 3.27Å; E244-I270 WeakPolarHBondContact CA-O 3.41Å; E244-I270 HydrophobicContact CB-CG2 3.94Å; E244-Y275 WeakPolarHBondContact OE1-CE1 3.41Å
245	V	98.9	Very high	98.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	153.8	179.7	-67.7	0	0	0	0	113.2	A212 A215 V243 I248 L269 I270 K271 G272 Y275	A212-V245 HydrophobicContact CB-CG1 3.8Å; A215-V245 HydrophobicContact CB-CG1 3.9Å; A215-V245 HydrophobicContact CB-CG2 4.11Å; V243-V245 HydrophobicContact CG1-CG1 4.16Å; V245-I248 HydrophobicContact CG2-CG1 3.84Å; V245-L269 HydrophobicContact CG1-CD1 3.96Å; V245-L269 HydrophobicContact CG2-CD1 4.14Å; V245-I270 WeakPolarHBondContact CG2-O 3.35Å; V245-I270 PolarHBondContact N-O 3.01Å; V245-K271 CarbonylContact O-C 3.5Å; V245-K271 WeakPolarHBondContact O-CA 3.32Å; V245-G272 PolarHBondContact O-N 2.91Å; V245-Y275 VanDerWaalsContact C-OH 3.23Å; V245-Y275 PolarHBondContact N-OH 3.42Å; V245-Y275 PolarHBondContact O-OH 3.24Å; V245-Y275 VanDerWaalsContact O-OH 3.07Å
246	E	98.8	Very high	98.4	Very high	43 Å²	43	44 Å²	44	20%	0.201	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	-33.1	173.9	-64.3	171.2	-139.7	0	0	111.5	K211 W213 K271 Y275 K277	K211-E246 IonicContact NZ-OE1 2.9Å; K211-E246 PolarHBondContact NZ-OE1 3.16Å; W213-E246 WeakPolarHBondContact O-CB 3.34Å; W213-E246 PolarHBondContact O-N 3.49Å; E246-K271 VanDerWaalsContact O-CE 3.26Å; E246-K271 WeakPolarHBondContact O-CE 3.45Å; E246-Y275 HydrophobicContact CB-CD2 4.35Å; E246-Y275 HydrophobicContact CB-CE2 4.13Å; E246-Y275 HydrophobicContact CG-CD1 4.34Å; E246-Y275 HydrophobicContact CG-CD2 3.68Å; E246-Y275 HydrophobicContact CG-CE1 4.35Å; E246-Y275 HydrophobicContact CG-CE2 3.63Å; E246-Y275 HydrophobicContact CG-CG 4.03Å; E246-K277 IonicContact OE1-NZ 3.18Å; E246-K277 PolarHBondContact OE1-NZ 3.48Å; E246-K277 WeakPolarHBondContact OE2-CE 3.45Å; E246-K277 IonicContact OE2-NZ 3.95Å; E246-K277 PolarHBondContact OE2-NZ 3.21Å
247	E	98.7	Very high	98.4	Very high	78 Å²	78	48.8 Å²	48.8	36%	0.364	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	139.1	-175.1	-164.3	-178.1	167.4	0	0	111.7	W213 K214 A215 V249	W213-E247 PolarHBondContact O-N 2.7Å; K214-E247 VanDerWaalsContact CA-O 3.24Å; K214-E247 WeakPolarHBondContact CA-O 3.44Å; K214-E247 HydrophobicContact CD-CB 4.3Å; K214-E247 WeakPolarHBondContact CD-OE2 3.4Å; K214-E247 WeakPolarHBondContact CE-OE2 3.21Å; K214-E247 HydrophobicContact CG-CB 4.12Å; K214-E247 IonicContact NZ-OE1 3.33Å; K214-E247 IonicContact NZ-OE2 2.64Å; K214-E247 PolarHBondContact NZ-OE2 3.08Å; A215-E247 PolarHBondContact N-O 3.03Å; E247-V249 HydrophobicContact CG-CG1 4.08Å
248	I	98.6	Very high	98.4	Very high	49 Å²	49	53.7 Å²	53.7	25%	0.251	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.2	167.9	-63	172.6	0	0	0	107.6	F42 A215 R217 V245 K271	F42-I248 HydrophobicContact CD1-CD1 4.06Å; F42-I248 HydrophobicContact CE1-CD1 4.1Å; F42-I248 HydrophobicContact CE1-CG2 4.26Å; A215-I248 CarbonylContact O-C 3.54Å; A215-I248 VanDerWaalsContact O-CA 3.26Å; A215-I248 WeakPolarHBondContact O-CA 3.47Å; R217-I248 HydrophobicContact CG-CG2 4.21Å; V245-I248 HydrophobicContact CG2-CG1 3.84Å; I248-K271 HydrophobicContact CD1-CB 3.96Å; I248-K271 HydrophobicContact CG1-CB 4.29Å
249	V	98.6	Very high	98.4	Very high	19 Å²	19	54.8 Å²	54.8	12%	0.115	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	167.5	-179	-60.3	0	0	0	0	111.3	K214 A215 D216 R217 E247 A253 F254	K214-V249 HydrophobicContact CD-CG1 3.98Å; A215-V249 WeakPolarHBondContact O-CG2 3.26Å; A215-V249 PolarHBondContact O-N 3Å; D216-V249 CarbonylContact C-O 3.52Å; D216-V249 VanDerWaalsContact CA-O 3.26Å; D216-V249 WeakPolarHBondContact CA-O 3.46Å; D216-V249 HydrophobicContact CB-CG2 4.13Å; R217-V249 WeakPolarHBondContact CG-O 3.36Å; R217-V249 PolarHBondContact N-O 2.96Å; E247-V249 HydrophobicContact CG-CG1 4.08Å; V249-A253 HydrophobicContact CB-CB 3.89Å; V249-A253 HydrophobicContact CG2-CB 3.59Å; V249-F254 HydrophobicContact CG2-CE1 3.72Å; V249-F254 HydrophobicContact CG2-CE2 4.06Å; V249-F254 HydrophobicContact CG2-CZ 3.39Å
250	D	97.9	Very high	98.4	Very high	100 Å²	100	50.3 Å²	50.3	54%	0.535	29%	0.292	S	S	.	.			trans	-75.7	156.3	177.5	-66.3	-31.5	0	0	0	112.2	R217 G252 A253	R217-D250 IonicContact CZ-OD1 3.64Å; R217-D250 IonicContact NE-OD1 2.84Å; R217-D250 PolarHBondContact NE-OD1 3.34Å; R217-D250 IonicContact NH2-OD1 2.76Å; D250-G252 PolarHBondContact O-N 3.37Å; D250-A253 WeakPolarHBondContact O-CB 3.36Å; D250-A253 PolarHBondContact O-N 2.56Å; D250-A253 VanDerWaalsContact O-N 3.16Å
251	I	96.9	Very high	98.4	Very high	86 Å²	86	48.9 Å²	48.9	44%	0.441	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	134.3	175.8	-68	166	0	0	0	109.1	R217 A218	R217-I251 HydrophobicContact CB-CD1 4.23Å; R217-I251 HydrophobicContact CB-CG1 4.07Å; A218-I251 HydrophobicContact CB-CD1 3.81Å; A218-I251 HydrophobicContact CB-CG1 3.84Å
252	G	96.4	Very high	98.4	Very high	65 Å²	65	51.8 Å²	51.8	67%	0.67	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.7	-2.3	-174.6	0	0	0	0	0	114.1	D250 F254	D250-G252 PolarHBondContact O-N 3.37Å; G252-F254 PolarHBondContact O-N 2.91Å
253	A	98.2	Very high	98.3	Very high	62 Å²	62	54.2 Å²	54.2	51%	0.512	31%	0.313	S	S	.	.	S	Bend	trans	-69.8	-19.3	172.9	0	0	0	0	0	113.7	V249 D250	V249-A253 HydrophobicContact CB-CB 3.89Å; V249-A253 HydrophobicContact CG2-CB 3.59Å; D250-A253 WeakPolarHBondContact O-CB 3.36Å; D250-A253 PolarHBondContact O-N 2.56Å; D250-A253 VanDerWaalsContact O-N 3.16Å
254	F	98.2	Very high	98.2	Very high	26 Å²	26	59.3 Å²	59.3	11%	0.114	34%	0.339	C	S	.	.	S	Bend	trans	-108.7	140.5	175	-48.3	-41.5	0	0	0	109.7	K214 D216 N220 I222 V249 G252 I259	K214-F254 HydrophobicContact CB-CE1 4.17Å; K214-F254 HydrophobicContact CB-CZ 3.79Å; K214-F254 HydrophobicContact CD-CE1 4.45Å; D216-F254 HydrophobicContact CB-CD2 4.14Å; D216-F254 HydrophobicContact CB-CE2 3.77Å; N220-F254 HydrophobicContact CB-CD2 4.49Å; I222-F254 HydrophobicContact CD1-CD1 4.01Å; I222-F254 HydrophobicContact CD1-CE1 3.55Å; I222-F254 HydrophobicContact CD1-CZ 4.13Å; I222-F254 HydrophobicContact CG1-CE1 3.94Å; I222-F254 HydrophobicContact CG1-CZ 3.98Å; I222-F254 HydrophobicContact CG2-CD1 4.4Å; I222-F254 HydrophobicContact CG2-CD2 4.39Å; I222-F254 HydrophobicContact CG2-CE2 4.47Å; I222-F254 HydrophobicContact CG2-CG 4.36Å; V249-F254 HydrophobicContact CG2-CE1 3.72Å; V249-F254 HydrophobicContact CG2-CE2 4.06Å; V249-F254 HydrophobicContact CG2-CZ 3.39Å; G252-F254 PolarHBondContact O-N 2.91Å; F254-I259 HydrophobicContact CB-CG1 4.07Å; F254-I259 HydrophobicContact CD2-CG1 4.32Å
255	A	98.5	Very high	98.2	Very high	42 Å²	42	63.3 Å²	63.3	35%	0.347	36%	0.355	S	S	.	.			trans	-62.4	136.3	160.6	0	0	0	0	0	108.2	E257 D258	A255-E257 PolarHBondContact O-N 3.04Å; A255-E257 VanDerWaalsContact O-N 3.15Å; A255-D258 HydrophobicContact CB-CB 4.3Å; A255-D258 WeakPolarHBondContact CB-OD2 3.5Å; A255-D258 PolarHBondContact O-N 2.98Å
256	P	98.1	Very high	98.2	Very high	96 Å²	96	63.3 Å²	63.3	62%	0.623	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-54.1	-34.6	-178.6	-27.7	35.3	0	0	0	113.8	D258	P256-D258 VanDerWaalsContact C-N 3.3Å; P256-D258 PolarHBondContact O-N 3.48Å
257	E	98.3	Very high	98.1	Very high	163 Å²	163	63.3 Å²	63.3	76%	0.762	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-72.1	-21.6	-180	-60.1	77.4	-170.5	0	0	113.3	A255	A255-E257 PolarHBondContact O-N 3.04Å; A255-E257 VanDerWaalsContact O-N 3.15Å
258	D	98.5	Very high	98.1	Very high	105 Å²	105	61 Å²	61	56%	0.561	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-95.4	1.7	-177.6	-66.7	-32.8	0	0	0	112.9	I222 A255 P256 H260	I222-D258 WeakPolarHBondContact CG2-O 3.47Å; A255-D258 HydrophobicContact CB-CB 4.3Å; A255-D258 WeakPolarHBondContact CB-OD2 3.5Å; A255-D258 PolarHBondContact O-N 2.98Å; P256-D258 VanDerWaalsContact C-N 3.3Å; P256-D258 PolarHBondContact O-N 3.48Å; D258-H260 PolarHBondContact O-CD2 3.36Å; D258-H260 PolarHBondContact O-N 3.35Å
259	I	98.7	Very high	98.2	Very high	39 Å²	39	58.7 Å²	58.7	20%	0.2	33%	0.331	C	S	.	.			trans	-71.5	116.2	174.1	-68	168.1	0	0	0	109.2	N220 F254 I261	N220-I259 HydrophobicContact CB-CD1 3.87Å; N220-I259 HydrophobicContact CB-CG1 4.11Å; N220-I259 HydrophobicContact CB-CG2 3.84Å; F254-I259 HydrophobicContact CB-CG1 4.07Å; F254-I259 HydrophobicContact CD2-CG1 4.32Å; I259-I261 VanDerWaalsContact CG2-C 3.48Å; I259-I261 VanDerWaalsContact CG2-O 3.29Å; I259-I261 WeakPolarHBondContact CG2-O 3.18Å
260	H	98.8	Very high	98.2	Very high	53 Å²	53	57.9 Å²	57.9	25%	0.245	33%	0.326	C	S	.	.	S	Bend	trans	-77.9	-35.7	-179.7	-57.4	153.6	0	0	0	113.1	V221 F223 R228 L232 D258	V221-H260 PolarHBondContact O-N 3.01Å; F223-H260 HydrophobicContact CD2-CB 3.72Å; F223-H260 AromaticContact CD2-ND1 3.65Å; F223-H260 HydrophobicContact CE2-CB 4.03Å; F223-H260 PolarHBondContact N-ND1 3.39Å; F223-H260 PolarHBondContact O-CE1 2.96Å; R228-H260 PolarHBondContact NH2-CE1 3.41Å; R228-H260 PolarHBondContact NH2-NE2 2.88Å; L232-H260 HydrophobicContact CD1-CB 4.26Å; D258-H260 PolarHBondContact O-CD2 3.36Å; D258-H260 PolarHBondContact O-N 3.35Å
261	I	98.8	Very high	98.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-131.7	115.2	174.2	-72.8	-69.7	0	0	0	108.8	V221 F223 L232 C235 K236 I259 Y265 V266	V221-I261 HydrophobicContact CG2-CB 3.5Å; V221-I261 HydrophobicContact CG2-CG1 4.27Å; V221-I261 HydrophobicContact CG2-CG2 3.81Å; V221-I261 PolarHBondContact N-O 3.24Å; V221-I261 PolarHBondContact O-N 3.32Å; V221-I261 VanDerWaalsContact O-N 3.12Å; F223-I261 HydrophobicContact CE2-CG1 3.8Å; F223-I261 HydrophobicContact CZ-CG1 4.14Å; L232-I261 HydrophobicContact CD2-CD1 4.21Å; L232-I261 HydrophobicContact CG-CD1 3.86Å; L232-I261 HydrophobicContact CG-CG1 4.09Å; C235-I261 HydrophobicContact CB-CD1 4.13Å; C235-I261 HydrophobicContact CB-CG1 4.29Å; K236-I261 HydrophobicContact CD-CD1 4.34Å; K236-I261 HydrophobicContact CG-CD1 4.07Å; I259-I261 VanDerWaalsContact CG2-C 3.48Å; I259-I261 VanDerWaalsContact CG2-O 3.29Å; I259-I261 WeakPolarHBondContact CG2-O 3.18Å; I261-Y265 HydrophobicContact CG2-CD2 4.38Å; I261-V266 HydrophobicContact CG2-CG2 3.77Å
262	P	98.2	Very high	98.2	Very high	62 Å²	62	54.9 Å²	54.9	40%	0.403	31%	0.308	S	S	.	.			trans	-63.9	147.7	172.1	-21.5	32.8	0	0	0	111.7	I264 Y265	P262-I264 HydrophobicContact CB-CG2 4.23Å; P262-I264 PolarHBondContact O-N 3.31Å; P262-Y265 PolarHBondContact O-N 2.74Å; P262-Y265 VanDerWaalsContact O-N 3.14Å
263	Q	97.3	Very high	98.1	Very high	50 Å²	50	58.9 Å²	58.9	23%	0.234	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-54.2	-20.7	-176.6	66.9	90	41.1	0	0	115.6	T40 A218 G219 N220 Y265 V266	T40-Q263 PolarHBondContact OG1-O 3.1Å; A218-Q263 WeakPolarHBondContact O-CB 3.18Å; A218-Q263 WeakPolarHBondContact O-CG 3.31Å; A218-Q263 PolarHBondContact O-OE1 3.45Å; G219-Q263 VanDerWaalsContact C-CB 3.44Å; G219-Q263 WeakPolarHBondContact O-CA 3.5Å; N220-Q263 PolarHBondContact OD1-N 2.89Å; Q263-Y265 PolarHBondContact O-N 3.34Å; Q263-V266 PolarHBondContact O-N 3.42Å
264	I	96.9	Very high	97.9	Very high	107 Å²	107	61.8 Å²	61.8	55%	0.549	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-58.8	-29.2	178.5	-164.4	170.8	0	0	0	112.9	P262	P262-I264 HydrophobicContact CB-CG2 4.23Å; P262-I264 PolarHBondContact O-N 3.31Å
265	Y	98.5	Very high	97.9	Very high	84 Å²	84	62.6 Å²	62.6	33%	0.329	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-90.7	-1	179.1	-61	-67.2	0	0	0	113.4	K236 T241 I261 P262 Q263	K236-Y265 HydrophobicContact CB-CD1 4Å; K236-Y265 HydrophobicContact CB-CE1 4.11Å; K236-Y265 HydrophobicContact CG-CD1 3.96Å; K236-Y265 HydrophobicContact CG-CD2 4.25Å; K236-Y265 HydrophobicContact CG-CE1 4.11Å; K236-Y265 HydrophobicContact CG-CE2 4.4Å; K236-Y265 HydrophobicContact CG-CG 4.02Å; T241-Y265 VanDerWaalsContact CB-O 3.28Å; T241-Y265 WeakPolarHBondContact CB-O 3.48Å; T241-Y265 PolarHBondContact OG1-O 2.95Å; I261-Y265 HydrophobicContact CG2-CD2 4.38Å; P262-Y265 PolarHBondContact O-N 2.74Å; P262-Y265 VanDerWaalsContact O-N 3.14Å; Q263-Y265 PolarHBondContact O-N 3.34Å
266	V	98.5	Very high	97.9	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.317	C	S	.	.			trans	-111.5	94.4	-172.9	-175.5	0	0	0	0	108.9	T40 G219 V221 V243 I261 Q263 L269	T40-V266 VanDerWaalsContact CA-O 3.29Å; T40-V266 WeakPolarHBondContact CA-O 3.1Å; T40-V266 VanDerWaalsContact CB-O 3.29Å; T40-V266 WeakPolarHBondContact CB-O 3.2Å; T40-V266 HydrophobicContact CG2-CB 4.42Å; T40-V266 HydrophobicContact CG2-CG1 3.78Å; T40-V266 PolarHBondContact OG1-O 3.2Å; G219-V266 WeakPolarHBondContact O-CG2 3.37Å; V221-V266 HydrophobicContact CG1-CG2 4.19Å; V221-V266 HydrophobicContact CG2-CG2 4.39Å; V243-V266 HydrophobicContact CB-CG1 4.17Å; V243-V266 HydrophobicContact CG2-CB 4.46Å; V243-V266 HydrophobicContact CG2-CG1 3.76Å; V243-V266 HydrophobicContact CG2-CG2 4.15Å; I261-V266 HydrophobicContact CG2-CG2 3.77Å; Q263-V266 PolarHBondContact O-N 3.42Å; V266-L269 HydrophobicContact CG1-CB 4.15Å; V266-L269 HydrophobicContact CG1-CD1 4.34Å
267	H	98.5	Very high	97.8	Very high	43 Å²	43	63.8 Å²	63.8	20%	0.199	30%	0.301	C	S	.	.	S	Bend	trans	-80.1	-42.3	-176.2	-52.5	157.7	0	0	0	111.2	H39 K41 E239 T240 T241	H39-H267 AromaticContact CE1-CD2 3.41Å; H39-H267 PolarHBondContact CE1-CD2 2.99Å; H39-H267 VanDerWaalsContact CE1-CD2 3.41Å; H39-H267 AromaticContact ND1-CD2 3.52Å; K41-H267 PolarHBondContact N-O 2.69Å; E239-H267 PolarHBondContact O-CE1 3.47Å; E239-H267 PolarHBondContact O-ND1 3.3Å; T240-H267 WeakPolarHBondContact CA-ND1 3.44Å; T241-H267 PolarHBondContact N-ND1 2.7Å; T241-H267 PolarHBondContact O-N 3.15Å
268	R	98.7	Very high	97.8	Very high	31 Å²	31	60 Å²	60	12%	0.117	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	137.2	178.1	-51.5	-174.6	-171.5	175.1	1.7	109.9	K41 Y43 A49 D52 T240 T241 V242 V243	K41-R268 WeakPolarHBondContact O-CA 3.2Å; Y43-R268 HydrophobicContact CD2-CB 4.06Å; Y43-R268 HydrophobicContact CD2-CG 4.48Å; Y43-R268 HydrophobicContact CE2-CB 3.81Å; Y43-R268 HydrophobicContact CE2-CG 3.74Å; A49-R268 WeakPolarHBondContact O-CD 3.26Å; A49-R268 PolarHBondContact O-NH1 3.06Å; D52-R268 IonicContact OD1-CZ 3.54Å; D52-R268 IonicContact OD1-NH1 2.67Å; D52-R268 PolarHBondContact OD1-NH1 3.22Å; D52-R268 IonicContact OD1-NH2 2.69Å; D52-R268 PolarHBondContact OD1-NH2 3.35Å; D52-R268 IonicContact OD2-CZ 3.96Å; D52-R268 IonicContact OD2-NH1 2.91Å; D52-R268 IonicContact OD2-NH2 3.77Å; D52-R268 PolarHBondContact OD2-NH2 2.9Å; T240-R268 HydrophobicContact CG2-CG 4.32Å; T241-R268 PolarHBondContact O-N 3.35Å; V242-R268 WeakPolarHBondContact CA-O 3.07Å; V242-R268 HydrophobicContact CB-CB 4.38Å; V242-R268 HydrophobicContact CG1-CB 4.09Å; V242-R268 HydrophobicContact CG2-CB 4.18Å; V242-R268 HydrophobicContact CG2-CG 4.43Å; V243-R268 PolarHBondContact N-O 2.71Å
269	L	98.8	Very high	97.7	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.6	-178.3	-177.6	67	0	0	0	110.5	T40 K41 F42 Y43 A215 V221 V243 V245 V266	T40-L269 HydrophobicContact CG2-CB 3.47Å; T40-L269 VanDerWaalsContact CG2-CB 3.47Å; T40-L269 HydrophobicContact CG2-CD2 4.13Å; T40-L269 HydrophobicContact CG2-CG 4.45Å; K41-L269 PolarHBondContact O-N 2.85Å; F42-L269 CarbonylContact C-O 3.52Å; F42-L269 WeakPolarHBondContact CA-O 3.43Å; F42-L269 HydrophobicContact CD1-CB 4.47Å; F42-L269 HydrophobicContact CD1-CD2 3.97Å; F42-L269 HydrophobicContact CD1-CG 4.37Å; F42-L269 HydrophobicContact CE1-CD2 3.29Å; F42-L269 HydrophobicContact CE1-CG 4.14Å; F42-L269 HydrophobicContact CE2-CD2 4.47Å; F42-L269 HydrophobicContact CZ-CD2 3.58Å; Y43-L269 PolarHBondContact N-O 3.27Å; A215-L269 HydrophobicContact CB-CD1 3.75Å; A215-L269 HydrophobicContact CB-CD2 3.38Å; A215-L269 HydrophobicContact CB-CG 4.15Å; V221-L269 HydrophobicContact CG1-CD1 4.37Å; V243-L269 HydrophobicContact CB-CD1 3.91Å; V243-L269 HydrophobicContact CG1-CD1 4.1Å; V243-L269 WeakPolarHBondContact O-CA 3.49Å; V245-L269 HydrophobicContact CG1-CD1 3.96Å; V245-L269 HydrophobicContact CG2-CD1 4.14Å; V266-L269 HydrophobicContact CG1-CB 4.15Å; V266-L269 HydrophobicContact CG1-CD1 4.34Å
270	I	98.6	Very high	97.6	Very high	1 Å²	1	58 Å²	58	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	145.2	178	-174.5	159.5	0	0	0	111.1	Y43 P46 L73 V243 E244 V245	Y43-I270 WeakPolarHBondContact O-CG1 3.18Å; P46-I270 HydrophobicContact CB-CD1 4.15Å; P46-I270 VanDerWaalsContact CD-CD1 3.46Å; P46-I270 HydrophobicContact CG-CD1 3.65Å; L73-I270 HydrophobicContact CD2-CG2 4.01Å; V243-I270 PolarHBondContact O-N 3.29Å; E244-I270 CarbonylContact C-O 3.58Å; E244-I270 VanDerWaalsContact CA-O 3.27Å; E244-I270 WeakPolarHBondContact CA-O 3.41Å; E244-I270 HydrophobicContact CB-CG2 3.94Å; V245-I270 WeakPolarHBondContact CG2-O 3.35Å; V245-I270 PolarHBondContact N-O 3.01Å
271	K	98.6	Very high	97.4	Very high	116 Å²	116	59.7 Å²	59.7	50%	0.504	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	121.2	166.8	-176.5	-177.9	173.8	-177.5	0	108.6	V245 E246 I248	V245-K271 CarbonylContact O-C 3.5Å; V245-K271 WeakPolarHBondContact O-CA 3.32Å; E246-K271 VanDerWaalsContact O-CE 3.26Å; E246-K271 WeakPolarHBondContact O-CE 3.45Å; I248-K271 HydrophobicContact CD1-CB 3.96Å; I248-K271 HydrophobicContact CG1-CB 4.29Å
272	G	97.6	Very high	97.3	Very high	8 Å²	8	64.2 Å²	64.2	8%	0.082	30%	0.296	C	S	.	.			trans	-62.3	143.1	177.3	0	0	0	0	0	111.7	V245 Y275	V245-G272 PolarHBondContact O-N 2.91Å; G272-Y275 WeakPolarHBondContact CA-OH 3.48Å; G272-Y275 PolarHBondContact N-OH 3.01Å
273	E	94.3	Very high	97.2	Very high	149 Å²	149	62.3 Å²	62.3	70%	0.696	28%	0.284	S	S	*	.	S	Bend	trans	-76.7	-37.3	-179.4	-64.2	-177.3	170.6	0	0	111.1	N72	N72-E273 PolarHBondContact OD1-N 3.41Å
274	K	94.1	Very high	97.1	Very high	122 Å²	122	62.3 Å²	62.3	53%	0.53	29%	0.285	S	S	.	.			trans	-138.6	141.8	-176.8	-169.9	-172.8	178.7	-155.8	0	110.3	N72 E276	N72-K274 PolarHBondContact ND2-O 2.86Å; N72-K274 PolarHBondContact OD1-N 2.76Å; N72-K274 VanDerWaalsContact OD1-N 3.15Å; N72-K274 PolarHBondContact OD1-O 3.46Å; K274-E276 HydrophobicContact CD-CG 4.29Å; K274-E276 IonicContact NZ-OE1 2.75Å; K274-E276 PolarHBondContact NZ-OE1 3.39Å
275	Y	97.9	Very high	96.8	Very high	44 Å²	44	61.1 Å²	61.1	17%	0.173	27%	0.273	C	S	.	.			trans	-131.2	107.3	169.9	-70.8	-72.7	0	0	0	109.2	E71 N72 K211 E244 V245 E246 G272 K277	E71-Y275 HydrophobicContact CG-CD1 3.98Å; E71-Y275 HydrophobicContact CG-CE1 4.19Å; E71-Y275 WeakPolarHBondContact OE1-CD1 3.26Å; E71-Y275 WeakPolarHBondContact OE2-CA 3.43Å; N72-Y275 WeakPolarHBondContact ND2-CE1 3.29Å; K211-Y275 HydrophobicContact CD-CE1 3.69Å; E244-Y275 WeakPolarHBondContact OE1-CE1 3.41Å; V245-Y275 VanDerWaalsContact C-OH 3.23Å; V245-Y275 PolarHBondContact N-OH 3.42Å; V245-Y275 PolarHBondContact O-OH 3.24Å; V245-Y275 VanDerWaalsContact O-OH 3.07Å; E246-Y275 HydrophobicContact CB-CD2 4.35Å; E246-Y275 HydrophobicContact CB-CE2 4.13Å; E246-Y275 HydrophobicContact CG-CD1 4.34Å; E246-Y275 HydrophobicContact CG-CD2 3.68Å; E246-Y275 HydrophobicContact CG-CE1 4.35Å; E246-Y275 HydrophobicContact CG-CE2 3.63Å; E246-Y275 HydrophobicContact CG-CG 4.03Å; G272-Y275 WeakPolarHBondContact CA-OH 3.48Å; G272-Y275 PolarHBondContact N-OH 3.01Å; Y275-K277 PolarHBondContact O-N 3.27Å
276	E	97.4	Very high	96.1	Very high	93 Å²	93	63.9 Å²	63.9	44%	0.435	29%	0.287	S	S	.	.			trans	-71.2	-21.8	-177.6	-67.4	-167.4	-168.6	0	0	113	E71 F97 K274 R278	E71-E276 PolarHBondContact OE1-N 2.89Å; E71-E276 PolarHBondContact OE2-N 2.97Å; F97-E276 HydrophobicContact CE2-CB 4.47Å; F97-E276 HydrophobicContact CE2-CG 4.35Å; F97-E276 HydrophobicContact CZ-CB 3.94Å; F97-E276 HydrophobicContact CZ-CG 4.21Å; K274-E276 HydrophobicContact CD-CG 4.29Å; K274-E276 IonicContact NZ-OE1 2.75Å; K274-E276 PolarHBondContact NZ-OE1 3.39Å; E276-R278 PolarHBondContact O-N 2.75Å
277	K	97	Very high	94.8	Very high	69 Å²	69	71.3 Å²	71.3	30%	0.3	32%	0.322	S	S	.	.			trans	52	42.3	-177.4	-64.4	-69.9	-175.9	175.4	0	111.7	E246 Y275 A361 D362	E246-K277 IonicContact OE1-NZ 3.18Å; E246-K277 PolarHBondContact OE1-NZ 3.48Å; E246-K277 WeakPolarHBondContact OE2-CE 3.45Å; E246-K277 IonicContact OE2-NZ 3.95Å; E246-K277 PolarHBondContact OE2-NZ 3.21Å; Y275-K277 PolarHBondContact O-N 3.27Å; K277-A361 HydrophobicContact CB-CB 4.11Å; K277-A361 HydrophobicContact CD-CB 4.4Å; K277-A361 WeakPolarHBondContact O-CB 3.3Å; K277-D362 IonicContact NZ-OD1 3.78Å; K277-D362 PolarHBondContact NZ-OD1 3.48Å; K277-D362 IonicContact NZ-OD2 3.51Å; K277-D362 PolarHBondContact NZ-OD2 3.21Å
278	R	97.5	Very high	93	Very high	85 Å²	85	72.3 Å²	72.3	32%	0.321	34%	0.344	S	S	.	.			trans	-66.8	133.7	-177.1	-171.3	168.6	176.7	-179.6	-10.2	111.5	L66 N96 F97 E276	L66-R278 HydrophobicContact CD1-CB 4.39Å; L66-R278 HydrophobicContact CD1-CG 3.93Å; N96-R278 PolarHBondContact ND2-NH1 3.37Å; N96-R278 VanDerWaalsContact OD1-CZ 3.24Å; N96-R278 PolarHBondContact OD1-NH1 3.33Å; N96-R278 PolarHBondContact OD1-NH2 2.89Å; F97-R278 HydrophobicContact CD1-CB 4.04Å; F97-R278 HydrophobicContact CD1-CG 4.47Å; F97-R278 HydrophobicContact CE1-CB 3.86Å; E276-R278 PolarHBondContact O-N 2.75Å
279	I	97.7	Very high	91	Very high	52 Å²	52	74.4 Å²	74.4	27%	0.267	36%	0.357	S	S	.	.			trans	-105.1	127.7	176.6	-68.3	164.6	0	0	0	108.7	L282 A361 T370	I279-L282 HydrophobicContact CD1-CD1 4.15Å; I279-L282 HydrophobicContact CG2-CB 4.09Å; I279-L282 HydrophobicContact CG2-CD1 4.42Å; I279-A361 HydrophobicContact CD1-CB 4.4Å; I279-A361 HydrophobicContact CG1-CB 3.77Å; I279-T370 HydrophobicContact CD1-CG2 3.89Å; I279-T370 HydrophobicContact CG1-CG2 4.17Å; I279-T370 HydrophobicContact CG2-CG2 3.6Å
280	E	96	Very high	88.6	Confident	49 Å²	49	78.3 Å²	78.3	23%	0.229	40%	0.397	C	S	.	.	S	Bend	trans	-71.4	-50.8	178.9	-170.4	-174.8	137	0	0	111.5	L66 V94 K368	L66-E280 HydrophobicContact CD1-CB 4.12Å; L66-E280 HydrophobicContact CG-CB 4.26Å; V94-E280 HydrophobicContact CG1-CG 4.05Å; E280-K368 HydrophobicContact CB-CB 4.23Å; E280-K368 HydrophobicContact CG-CB 4.34Å; E280-K368 WeakPolarHBondContact OE2-CG 3.49Å
281	R	95.8	Very high	85.6	Confident	88 Å²	88	86.1 Å²	86.1	33%	0.332	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-130.6	99.3	178.1	-61.2	180	177.9	-178.1	-5.1	110.8	E118 S283 G367 K368 E369 T370	E118-R281 VanDerWaalsContact CG-NH2 3.29Å; E118-R281 IonicContact OE1-NH2 3.5Å; E118-R281 PolarHBondContact OE1-NH2 2.7Å; E118-R281 IonicContact OE2-NH2 3.26Å; R281-S283 PolarHBondContact O-N 2.69Å; R281-G367 PolarHBondContact NH1-O 3.18Å; R281-K368 WeakPolarHBondContact CB-O 3.38Å; R281-K368 PolarHBondContact N-O 3.27Å; R281-E369 HydrophobicContact CB-CG 4.16Å; R281-E369 WeakPolarHBondContact O-CA 3.12Å; R281-T370 PolarHBondContact O-N 3.25Å
282	L	96.6	Very high	82.7	Confident	96 Å²	96	85.3 Å²	85.3	50%	0.503	45%	0.448	S	S	.	.			trans	-74.2	109.9	175.5	-176.2	65.7	0	0	0	109.6	I279 I284 A359 T370	I279-L282 HydrophobicContact CD1-CD1 4.15Å; I279-L282 HydrophobicContact CG2-CB 4.09Å; I279-L282 HydrophobicContact CG2-CD1 4.42Å; L282-I284 HydrophobicContact CD1-CD1 3.79Å; L282-I284 HydrophobicContact CD1-CG1 4.08Å; L282-I284 HydrophobicContact CD2-CG1 4.43Å; L282-I284 HydrophobicContact CG-CD1 4.26Å; L282-I284 HydrophobicContact CG-CG1 3.97Å; L282-A359 HydrophobicContact CD1-CB 4.07Å; L282-T370 HydrophobicContact CD1-CG2 4.19Å
283	S	94.7	Very high	79.9	Confident	22 Å²	22	92.4 Å²	92.4	15%	0.154	48%	0.477	C	S	.	.			trans	-116	119.2	176.6	-62.4	0	0	0	0	109.3	R281 P354 T370	R281-S283 PolarHBondContact O-N 2.69Å; S283-P354 WeakPolarHBondContact O-CD 3.36Å; S283-T370 PolarHBondContact N-OG1 3.14Å; S283-T370 PolarHBondContact O-OG1 3Å
284	I	94.9	Very high	77.1	Confident	50 Å²	50	90.7 Å²	90.7	26%	0.256	48%	0.482	S	S	.	.			trans	-126.6	134.7	-174.5	-59.2	-62.5	0	0	0	108.9	L282 P354 A359	L282-I284 HydrophobicContact CD1-CD1 3.79Å; L282-I284 HydrophobicContact CD1-CG1 4.08Å; L282-I284 HydrophobicContact CD2-CG1 4.43Å; L282-I284 HydrophobicContact CG-CD1 4.26Å; L282-I284 HydrophobicContact CG-CG1 3.97Å; I284-P354 VanDerWaalsContact CA-O 3.27Å; I284-P354 WeakPolarHBondContact CA-O 3.27Å; I284-P354 HydrophobicContact CD1-CG 4.12Å; I284-A359 HydrophobicContact CD1-CB 3.86Å
285	R	91.2	Very high	74.4	Confident	81 Å²	81	87.8 Å²	87.8	31%	0.306	48%	0.48	S	S	.	.	P	Polyproline II helix	trans	-83.7	138.2	166.7	67.1	-177.4	166.8	-172.6	-8.2	110	Y353 P354 R355 E358	R285-Y353 WeakPolarHBondContact CD-O 3.29Å; R285-Y353 VanDerWaalsContact CG-O 3.26Å; R285-Y353 WeakPolarHBondContact CG-O 3.24Å; R285-Y353 PolarHBondContact NE-O 2.76Å; R285-P354 PolarHBondContact N-O 3.46Å; R285-R355 HydrophobicContact CG-CG 4.35Å; R285-E358 IonicContact CZ-OE2 2.73Å; R285-E358 IonicContact NE-OE2 3.66Å; R285-E358 IonicContact NH2-OE1 3.58Å; R285-E358 IonicContact NH2-OE2 3.85Å; R285-E358 PolarHBondContact NH2-OE2 3.18Å
286	K	83	Confident	71.8	Confident	142 Å²	142	93.2 Å²	93.2	62%	0.617	51%	0.505	S	S	*	.	P	Polyproline II helix	trans	-86.5	150	167.6	-53.7	-178.7	177.2	-173.7	0	109.8	G288 D289	K286-G288 PolarHBondContact O-N 3Å; K286-D289 WeakPolarHBondContact CB-OD2 3.43Å; K286-D289 WeakPolarHBondContact CG-OD2 3.31Å; K286-D289 PolarHBondContact N-OD2 3.45Å; K286-D289 PolarHBondContact O-N 2.95Å
287	E	72.6	Confident	68.9	Low	156 Å²	156	95.5 Å²	95.5	73%	0.729	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	126.9	167.6	-67	-174.2	160	0	0	108.7	R355	E287-R355 IonicContact OE1-CZ 3.75Å; E287-R355 IonicContact OE1-NE 3.71Å; E287-R355 IonicContact OE1-NH2 3.86Å
288	G	60.4	Low	66.9	Low	64 Å²	64	94.3 Å²	94.3	66%	0.66	54%	0.535	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.9	-2.4	-177.7	0	0	0	0	0	116.3	K286 G290 E291	K286-G288 PolarHBondContact O-N 3Å; G288-G290 PolarHBondContact O-N 2.98Å; G288-E291 PolarHBondContact O-N 2.9Å
289	D	56.7	Low	65.2	Low	76 Å²	76	93.3 Å²	93.3	41%	0.406	54%	0.536	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	18.2	178.4	-83	-26	0	0	0	114.2	K286 K293	K286-D289 WeakPolarHBondContact CB-OD2 3.43Å; K286-D289 WeakPolarHBondContact CG-OD2 3.31Å; K286-D289 PolarHBondContact N-OD2 3.45Å; K286-D289 PolarHBondContact O-N 2.95Å; D289-K293 IonicContact OD1-NZ 3.92Å
290	G	49.3	Very low	64.4	Low	81 Å²	81	95.1 Å²	95.1	84%	0.835	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-5.3	167.6	0	0	0	0	0	113.9	G288	G288-G290 PolarHBondContact O-N 2.98Å
291	E	34.1	Very low	64.2	Low	166 Å²	166	94.9 Å²	94.9	78%	0.776	55%	0.548	S	S	*	.	S	Bend	trans	-96	113	172.5	-69.8	-176.4	171	0	0	110.1	G288 K293	G288-E291 PolarHBondContact O-N 2.9Å; E291-K293 PolarHBondContact O-N 3.28Å; E291-K293 VanDerWaalsContact O-N 3.11Å
292	A	39.3	Very low	64	Low	98 Å²	98	97.1 Å²	97.1	81%	0.81	56%	0.556	S	S	*	*			trans	-48.8	115.2	178.5	0	0	0	0	0	111.4	S294	A292-S294 PolarHBondContact O-N 2.91Å
293	K	38.4	Very low	63.8	Low	157 Å²	157	95.6 Å²	95.6	68%	0.683	55%	0.546	S	S	*	.			trans	-63.1	130.6	170	-75.8	177.1	-175.4	152.5	0	108.8	D289 E291 A295	D289-K293 IonicContact OD1-NZ 3.92Å; E291-K293 PolarHBondContact O-N 3.28Å; E291-K293 VanDerWaalsContact O-N 3.11Å; K293-A295 PolarHBondContact O-N 3.21Å
294	S	34	Very low	63.8	Low	114 Å²	114	96 Å²	96	80%	0.797	55%	0.545	S	S	*	.			trans	-45.4	121.7	177	56.6	0	0	0	0	112.2	A292 K296	A292-S294 PolarHBondContact O-N 2.91Å; S294-K296 PolarHBondContact O-N 3.35Å
295	A	38.9	Very low	63.9	Low	60 Å²	60	93.6 Å²	93.6	50%	0.496	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-51	126.7	177.6	0	0	0	0	0	113	K293 D299	K293-A295 PolarHBondContact O-N 3.21Å; A295-D299 WeakPolarHBondContact CA-OD2 3.34Å; A295-D299 HydrophobicContact CB-CB 3.66Å
296	K	41.9	Very low	64.2	Low	159 Å²	159	90.5 Å²	90.5	69%	0.691	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-68.7	154.2	158	-68.2	179.3	-179.7	175.3	0	109.4	S294 G298 D299	S294-K296 PolarHBondContact O-N 3.35Å; K296-G298 PolarHBondContact O-N 3Å; K296-G298 VanDerWaalsContact O-N 3.08Å; K296-D299 WeakPolarHBondContact CB-OD2 3.42Å; K296-D299 PolarHBondContact N-OD2 2.85Å; K296-D299 VanDerWaalsContact O-CB 3.24Å; K296-D299 WeakPolarHBondContact O-CB 3.24Å; K296-D299 PolarHBondContact O-N 2.83Å
297	P	36.7	Very low	64.8	Low	141 Å²	141	84.9 Å²	84.9	92%	0.916	50%	0.497	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	118.3	170.8	-21.3	31.9	0	0	0	110.5
298	G	55	Low	66	Low	43 Å²	43	77.8 Å²	77.8	44%	0.443	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	110.3	-21.4	-171.1	0	0	0	0	0	114.3	K296 D300 V301	K296-G298 PolarHBondContact O-N 3Å; K296-G298 VanDerWaalsContact O-N 3.08Å; G298-D300 VanDerWaalsContact C-N 3.26Å; G298-D300 PolarHBondContact O-N 2.93Å; G298-V301 PolarHBondContact O-N 3.47Å
299	D	61.4	Low	67.8	Low	64 Å²	64	74.7 Å²	74.7	34%	0.342	43%	0.432	S	S	.	.	H	α-helix	trans	-66.6	-29.7	174.9	-72.5	-13.9	0	0	0	111.1	A295 K296 V301 R302 E303	A295-D299 WeakPolarHBondContact CA-OD2 3.34Å; A295-D299 HydrophobicContact CB-CB 3.66Å; K296-D299 WeakPolarHBondContact CB-OD2 3.42Å; K296-D299 PolarHBondContact N-OD2 2.85Å; K296-D299 VanDerWaalsContact O-CB 3.24Å; K296-D299 WeakPolarHBondContact O-CB 3.24Å; K296-D299 PolarHBondContact O-N 2.83Å; D299-V301 PolarHBondContact O-N 3.13Å; D299-R302 PolarHBondContact O-N 3.36Å; D299-E303 WeakPolarHBondContact O-CB 3.3Å; D299-E303 PolarHBondContact O-N 2.87Å
300	D	81.8	Confident	69.7	Low	91 Å²	91	71.3 Å²	71.3	49%	0.487	42%	0.415	S	S	.	.	H	α-helix	trans	-60	-44.1	176.1	-179.5	57.6	0	0	0	113	G298 R302 E303 R304	G298-D300 VanDerWaalsContact C-N 3.26Å; G298-D300 PolarHBondContact O-N 2.93Å; D300-R302 PolarHBondContact O-N 3.48Å; D300-E303 PolarHBondContact O-N 3.37Å; D300-R304 WeakPolarHBondContact O-CB 3.38Å; D300-R304 WeakPolarHBondContact O-CD 3.1Å; D300-R304 WeakPolarHBondContact O-CG 3.5Å; D300-R304 PolarHBondContact O-N 2.99Å; D300-R304 IonicContact OD2-NH1 2.7Å
301	V	91.4	Very high	72	Confident	44 Å²	44	70.4 Å²	70.4	27%	0.267	39%	0.391	S	S	.	.	H	α-helix	trans	-62.2	-45.5	179	169.3	0	0	0	0	110.7	G298 D299 I305 E442 E472	G298-V301 PolarHBondContact O-N 3.47Å; D299-V301 PolarHBondContact O-N 3.13Å; V301-I305 WeakPolarHBondContact O-CG1 3.06Å; V301-I305 PolarHBondContact O-N 3.47Å; V301-E442 HydrophobicContact CG1-CG 4.01Å; V301-E472 HydrophobicContact CG1-CB 3.77Å; V301-E472 HydrophobicContact CG1-CG 3.83Å
302	R	91.9	Very high	75	Confident	135 Å²	135	62.7 Å²	62.7	51%	0.509	36%	0.355	S	S	.	.	H	α-helix	trans	-71.2	-43.2	-179.7	-70.1	-177.2	174.3	-172.3	-1.5	111.6	D299 D300 R304 I305 I306 E442	D299-R302 PolarHBondContact O-N 3.36Å; D300-R302 PolarHBondContact O-N 3.48Å; R302-R304 VanDerWaalsContact C-N 3.28Å; R302-R304 PolarHBondContact O-N 3.39Å; R302-I305 PolarHBondContact O-N 3.39Å; R302-I305 VanDerWaalsContact O-N 3.16Å; R302-I306 HydrophobicContact CB-CD1 4.45Å; R302-I306 WeakPolarHBondContact O-CB 3.49Å; R302-I306 WeakPolarHBondContact O-CD1 3.38Å; R302-I306 WeakPolarHBondContact O-CG1 3.43Å; R302-I306 PolarHBondContact O-N 3.16Å; R302-E442 IonicContact NE-OE1 2.62Å
303	E	92.4	Very high	77.8	Confident	63 Å²	63	58.7 Å²	58.7	29%	0.294	32%	0.319	S	S	.	.	H	α-helix	trans	-57.4	-42.4	178	-173.2	178.5	168.4	0	0	111.1	D299 D300 I305 I306 K307	D299-E303 WeakPolarHBondContact O-CB 3.3Å; D299-E303 PolarHBondContact O-N 2.87Å; D300-E303 PolarHBondContact O-N 3.37Å; E303-I305 PolarHBondContact O-N 3.31Å; E303-I306 WeakPolarHBondContact O-CB 3.46Å; E303-I306 PolarHBondContact O-N 3.28Å; E303-K307 HydrophobicContact CG-CD 4.05Å; E303-K307 HydrophobicContact CG-CG 4.38Å; E303-K307 WeakPolarHBondContact O-CB 3.16Å; E303-K307 WeakPolarHBondContact O-CG 3.35Å; E303-K307 PolarHBondContact O-N 2.61Å; E303-K307 WeakPolarHBondContact OE1-CE 3.45Å; E303-K307 IonicContact OE1-NZ 2.69Å; E303-K307 PolarHBondContact OE1-NZ 2.99Å
304	R	95.3	Very high	80.6	Confident	31 Å²	31	56.9 Å²	56.9	12%	0.117	31%	0.313	C	S	.	.	H	α-helix	trans	-57.7	-45.6	174.9	-75.8	163	52.6	174.2	-1.2	113.2	D300 R302 R308 E472 W490 Q517	D300-R304 WeakPolarHBondContact O-CB 3.38Å; D300-R304 WeakPolarHBondContact O-CD 3.1Å; D300-R304 WeakPolarHBondContact O-CG 3.5Å; D300-R304 PolarHBondContact O-N 2.99Å; D300-R304 IonicContact OD2-NH1 2.7Å; R302-R304 VanDerWaalsContact C-N 3.28Å; R302-R304 PolarHBondContact O-N 3.39Å; R304-R308 WeakPolarHBondContact O-CB 3.42Å; R304-R308 PolarHBondContact O-N 3.29Å; R304-E472 PolarHBondContact NH2-O 3.43Å; R304-W490 HydrophobicContact CB-CZ3 4.47Å; R304-W490 HydrophobicContact CG-CH2 3.68Å; R304-W490 HydrophobicContact CG-CZ2 4.04Å; R304-W490 HydrophobicContact CG-CZ3 3.97Å; R304-W490 VanDerWaalsContact CZ-CD2 3.46Å; R304-W490 VanDerWaalsContact CZ-NE1 3.34Å; R304-W490 VanDerWaalsContact NH2-CD2 3.26Å; R304-Q517 PolarHBondContact O-NE2 3.45Å; R304-Q517 PolarHBondContact O-OE1 3.09Å
305	I	97.4	Very high	83.7	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.9	-45.4	177.6	-56.6	167.3	0	0	0	109.7	V301 R302 E303 K307 R308 A309 I325 T440 E442 I470 E472	V301-I305 WeakPolarHBondContact O-CG1 3.06Å; V301-I305 PolarHBondContact O-N 3.47Å; R302-I305 PolarHBondContact O-N 3.39Å; R302-I305 VanDerWaalsContact O-N 3.16Å; E303-I305 PolarHBondContact O-N 3.31Å; I305-K307 PolarHBondContact O-N 3.12Å; I305-R308 PolarHBondContact O-N 2.94Å; I305-A309 WeakPolarHBondContact O-CB 3.25Å; I305-A309 PolarHBondContact O-N 3.16Å; I305-I325 HydrophobicContact CB-CD1 4.35Å; I305-I325 HydrophobicContact CB-CG2 4.26Å; I305-I325 HydrophobicContact CD1-CD1 4.05Å; I305-I325 HydrophobicContact CG2-CD1 4.22Å; I305-I325 HydrophobicContact CG2-CG2 3.69Å; I305-T440 HydrophobicContact CG2-CG2 4.24Å; I305-E442 HydrophobicContact CD1-CG 4.34Å; I305-I470 HydrophobicContact CG2-CG2 4.09Å; I305-E472 HydrophobicContact CD1-CB 4.23Å; I305-E472 HydrophobicContact CG1-CB 4.01Å
306	I	96.2	Very high	86.5	Confident	15 Å²	15	55.6 Å²	55.6	8%	0.077	30%	0.298	C	S	.	.	H	α-helix	trans	-57.5	-50.3	179.1	-70.7	164.6	0	0	0	110.6	R302 E303 R308 A309 A310 I325 L328 A329 F332	R302-I306 HydrophobicContact CB-CD1 4.45Å; R302-I306 WeakPolarHBondContact O-CB 3.49Å; R302-I306 WeakPolarHBondContact O-CD1 3.38Å; R302-I306 WeakPolarHBondContact O-CG1 3.43Å; R302-I306 PolarHBondContact O-N 3.16Å; E303-I306 WeakPolarHBondContact O-CB 3.46Å; E303-I306 PolarHBondContact O-N 3.28Å; I306-R308 PolarHBondContact O-N 2.96Å; I306-A309 PolarHBondContact O-N 2.99Å; I306-A310 PolarHBondContact O-N 3.32Å; I306-I325 HydrophobicContact CG1-CB 4.3Å; I306-I325 HydrophobicContact CG1-CG1 4.25Å; I306-I325 HydrophobicContact CG1-CG2 3.82Å; I306-L328 HydrophobicContact CD1-CB 3.86Å; I306-L328 HydrophobicContact CD1-CD1 3.78Å; I306-L328 HydrophobicContact CD1-CG 4.49Å; I306-L328 HydrophobicContact CG1-CB 4.11Å; I306-L328 HydrophobicContact CG2-CB 4.3Å; I306-A329 HydrophobicContact CG2-CB 4.44Å; I306-F332 HydrophobicContact CG2-CD2 3.61Å; I306-F332 HydrophobicContact CG2-CE2 3.42Å; I306-F332 VanDerWaalsContact CG2-CE2 3.42Å; I306-F332 HydrophobicContact CG2-CZ 4.45Å
307	K	95.8	Very high	89.2	Confident	25 Å²	25	48.8 Å²	48.8	11%	0.109	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-36.2	-179.5	-77.6	-179	170.3	173.1	0	113.1	E303 I305 F332 Q517 I518 N520	E303-K307 HydrophobicContact CG-CD 4.05Å; E303-K307 HydrophobicContact CG-CG 4.38Å; E303-K307 WeakPolarHBondContact O-CB 3.16Å; E303-K307 WeakPolarHBondContact O-CG 3.35Å; E303-K307 PolarHBondContact O-N 2.61Å; E303-K307 WeakPolarHBondContact OE1-CE 3.45Å; E303-K307 IonicContact OE1-NZ 2.69Å; E303-K307 PolarHBondContact OE1-NZ 2.99Å; I305-K307 PolarHBondContact O-N 3.12Å; K307-F332 HydrophobicContact CG-CD1 4.43Å; K307-F332 HydrophobicContact CG-CE1 4.19Å; K307-F332 HydrophobicContact CG-CZ 4.4Å; K307-Q517 VanDerWaalsContact CB-OE1 3.24Å; K307-I518 HydrophobicContact CB-CG2 3.98Å; K307-I518 HydrophobicContact CG-CG2 3.99Å; K307-N520 WeakPolarHBondContact CE-OD1 3.47Å; K307-N520 PolarHBondContact NZ-OD1 2.69Å
308	R	98	Very high	92.1	Very high	6 Å²	6	46.6 Å²	46.6	2%	0.023	24%	0.242	C	C	.	.	H	α-helix	trans	-71.3	-40.1	173.2	179.1	55	-169.9	72.2	-0.3	111.5	R304 I305 I306 A310 L311 E312 I470 V475 E488 M515 Q516	R304-R308 WeakPolarHBondContact O-CB 3.42Å; R304-R308 PolarHBondContact O-N 3.29Å; I305-R308 PolarHBondContact O-N 2.94Å; I306-R308 PolarHBondContact O-N 2.96Å; R308-A310 VanDerWaalsContact C-N 3.28Å; R308-A310 PolarHBondContact O-N 3.33Å; R308-L311 WeakPolarHBondContact O-CB 3.44Å; R308-L311 PolarHBondContact O-N 3.47Å; R308-E312 IonicContact CZ-OE1 3.13Å; R308-E312 IonicContact NH1-OE1 2.7Å; R308-E312 PolarHBondContact NH1-OE1 3.47Å; R308-E312 IonicContact NH2-OE1 3.91Å; R308-E312 PolarHBondContact NH2-OE1 2.95Å; R308-I470 HydrophobicContact CB-CG2 3.91Å; R308-I470 HydrophobicContact CG-CD1 4.41Å; R308-I470 HydrophobicContact CG-CG2 3.62Å; R308-V475 HydrophobicContact CG-CG2 3.88Å; R308-E488 WeakPolarHBondContact CD-OE2 3.33Å; R308-E488 IonicContact CZ-OE1 2.76Å; R308-E488 VanDerWaalsContact CZ-OE1 3.31Å; R308-E488 IonicContact CZ-OE2 2.96Å; R308-E488 VanDerWaalsContact NE-CD 3.3Å; R308-E488 IonicContact NE-OE1 3.23Å; R308-E488 PolarHBondContact NE-OE1 3.12Å; R308-E488 VanDerWaalsContact NE-OE1 3.13Å; R308-E488 IonicContact NE-OE2 3.22Å; R308-E488 PolarHBondContact NE-OE2 2.69Å; R308-E488 IonicContact NH2-OE1 3.01Å; R308-E488 PolarHBondContact NH2-OE1 2.85Å; R308-E488 IonicContact NH2-OE2 3.96Å; R308-M515 HydrophobicContact CB-CG 4.39Å; R308-M515 HydrophobicContact CB-SD 4.19Å; R308-M515 HydrophobicContact CG-CG 4.01Å; R308-M515 HydrophobicContact CG-SD 4.18Å; R308-Q516 WeakPolarHBondContact CD-O 3.46Å
309	A	98	Very high	94.2	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-63.5	-33.7	178.7	0	0	0	0	0	112.4	I305 I306 L311 E312 A329 M398 T440 I470	I305-A309 WeakPolarHBondContact O-CB 3.25Å; I305-A309 PolarHBondContact O-N 3.16Å; I306-A309 PolarHBondContact O-N 2.99Å; A309-L311 PolarHBondContact O-N 3.4Å; A309-E312 WeakPolarHBondContact O-CB 3.49Å; A309-E312 PolarHBondContact O-N 3.47Å; A309-A329 HydrophobicContact CB-CB 3.88Å; A309-M398 HydrophobicContact CB-CE 4.22Å; A309-M398 HydrophobicContact CB-SD 3.76Å; A309-T440 HydrophobicContact CB-CG2 3.71Å; A309-I470 HydrophobicContact CB-CD1 4.33Å
310	A	96.8	Very high	96	Very high	5 Å²	5	41.7 Å²	41.7	4%	0.041	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-60.1	-24.2	175.7	0	0	0	0	0	113.8	I306 R308 E312 F313 A329 F332 I518	I306-A310 PolarHBondContact O-N 3.32Å; R308-A310 VanDerWaalsContact C-N 3.28Å; R308-A310 PolarHBondContact O-N 3.33Å; A310-E312 PolarHBondContact O-N 3.35Å; A310-F313 VanDerWaalsContact O-CD2 3.31Å; A310-F313 WeakPolarHBondContact O-CD2 3.1Å; A310-F313 PolarHBondContact O-N 3.06Å; A310-A329 HydrophobicContact CB-CB 4.5Å; A310-F332 HydrophobicContact CB-CB 3.62Å; A310-I518 HydrophobicContact CB-CD1 4.32Å; A310-I518 HydrophobicContact CB-CG2 4.13Å
311	L	97.3	Very high	96.7	Very high	62 Å²	62	38.3 Å²	38.3	33%	0.325	19%	0.188	S	C	.	.	G	3₁₀ helix	trans	-77.3	-3.7	175.7	-62	173.1	0	0	0	113.5	R308 A309 F313 Q516 I518	R308-L311 WeakPolarHBondContact O-CB 3.44Å; R308-L311 PolarHBondContact O-N 3.47Å; A309-L311 PolarHBondContact O-N 3.4Å; L311-F313 VanDerWaalsContact C-N 3.33Å; L311-Q516 HydrophobicContact CD1-CB 3.36Å; L311-I518 HydrophobicContact CD2-CB 4.04Å; L311-I518 HydrophobicContact CD2-CD1 4.34Å; L311-I518 HydrophobicContact CD2-CG1 4.34Å; L311-I518 HydrophobicContact CG-CB 4.38Å
312	E	98.2	Very high	96.7	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.019	19%	0.185	C	C	.	.	G	3₁₀ helix	trans	-83.6	-10	172.4	-61.5	-66.1	137.2	0	0	113	R308 A309 A310 L396 M398 K436 V438 R468 I470	R308-E312 IonicContact CZ-OE1 3.13Å; R308-E312 IonicContact NH1-OE1 2.7Å; R308-E312 PolarHBondContact NH1-OE1 3.47Å; R308-E312 IonicContact NH2-OE1 3.91Å; R308-E312 PolarHBondContact NH2-OE1 2.95Å; A309-E312 WeakPolarHBondContact O-CB 3.49Å; A309-E312 PolarHBondContact O-N 3.47Å; A310-E312 PolarHBondContact O-N 3.35Å; E312-L396 HydrophobicContact CB-CD2 4.22Å; E312-M398 HydrophobicContact CB-CE 4.01Å; E312-M398 HydrophobicContact CG-CE 4.42Å; E312-K436 WeakPolarHBondContact OE2-CE 3.48Å; E312-K436 IonicContact OE2-NZ 3.34Å; E312-K436 PolarHBondContact OE2-NZ 2.82Å; E312-V438 HydrophobicContact CG-CG1 4.4Å; E312-R468 WeakPolarHBondContact OE1-CD 3.49Å; E312-R468 IonicContact OE1-CZ 3.82Å; E312-R468 IonicContact OE1-NE 2.7Å; E312-R468 IonicContact OE1-NH1 3.18Å; E312-R468 PolarHBondContact OE1-NH1 2.8Å; E312-R468 IonicContact OE2-NH1 2.85Å; E312-R468 PolarHBondContact OE2-NH1 3.28Å; E312-I470 HydrophobicContact CG-CD1 3.73Å
313	F	97.8	Very high	96.5	Very high	14 Å²	14	35.6 Å²	35.6	6%	0.061	19%	0.186	C	C	.	.			trans	-79.8	132.7	177.4	-66.7	-59.8	0	0	0	111.4	A310 L311 A319 L321 A329 I333 I337 V339 L396 M398	A310-F313 VanDerWaalsContact O-CD2 3.31Å; A310-F313 WeakPolarHBondContact O-CD2 3.1Å; A310-F313 PolarHBondContact O-N 3.06Å; L311-F313 VanDerWaalsContact C-N 3.33Å; F313-A319 HydrophobicContact CE1-CB 4.15Å; F313-L321 HydrophobicContact CE1-CD1 4.15Å; F313-L321 HydrophobicContact CE1-CD2 3.88Å; F313-L321 HydrophobicContact CZ-CD1 3.78Å; F313-L321 HydrophobicContact CZ-CD2 3.82Å; F313-L321 HydrophobicContact CZ-CG 4.45Å; F313-A329 HydrophobicContact CE2-CB 4.05Å; F313-I333 HydrophobicContact CB-CG1 4.25Å; F313-I333 HydrophobicContact CD1-CD1 4.19Å; F313-I333 HydrophobicContact CD1-CG1 4.45Å; F313-I333 HydrophobicContact CD2-CD1 3.88Å; F313-I333 HydrophobicContact CD2-CG1 3.38Å; F313-I333 HydrophobicContact CE1-CD1 4.24Å; F313-I333 HydrophobicContact CE2-CD1 3.96Å; F313-I333 HydrophobicContact CE2-CG1 3.77Å; F313-I333 HydrophobicContact CG-CD1 4.02Å; F313-I333 HydrophobicContact CG-CG1 3.78Å; F313-I333 HydrophobicContact CZ-CD1 4.15Å; F313-I333 HydrophobicContact CZ-CG1 4.46Å; F313-I337 HydrophobicContact CB-CD1 4.26Å; F313-V339 HydrophobicContact CB-CG2 3.95Å; F313-V339 HydrophobicContact CD1-CG1 3.9Å; F313-V339 HydrophobicContact CD1-CG2 4.14Å; F313-V339 HydrophobicContact CE1-CG1 4.3Å; F313-V339 HydrophobicContact CG-CG2 4.25Å; F313-L396 HydrophobicContact CD1-CD2 4.17Å; F313-L396 HydrophobicContact CE1-CD2 4.17Å; F313-M398 HydrophobicContact CZ-CE 4.33Å
314	E	97.5	Very high	96.4	Very high	119 Å²	119	34.6 Å²	34.6	56%	0.556	19%	0.192	S	C	*	.			trans	-120.4	152.7	176.7	-59	175.8	-161.4	0	0	109.6	G316 M317	E314-G316 PolarHBondContact O-N 3.06Å; E314-M317 HydrophobicContact CB-CB 4.49Å; E314-M317 HydrophobicContact CB-CE 3.92Å; E314-M317 HydrophobicContact CG-CE 3.9Å; E314-M317 WeakPolarHBondContact O-CB 3.44Å; E314-M317 PolarHBondContact O-N 3.31Å
315	D	98.2	Very high	96.3	Very high	109 Å²	109	34.3 Å²	34.3	58%	0.583	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	133	178.9	-172.1	46.4	0	0	0	111.5	M317 I337 T338	D315-M317 VanDerWaalsContact C-N 3.29Å; D315-M317 PolarHBondContact O-N 2.67Å; D315-I337 HydrophobicContact CB-CB 3.91Å; D315-I337 HydrophobicContact CB-CG2 3.94Å; D315-I337 WeakPolarHBondContact OD1-CA 3.42Å; D315-T338 PolarHBondContact OD1-N 3.07Å
316	G	98	Very high	96.1	Very high	38 Å²	38	34.3 Å²	34.3	39%	0.392	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.6	-0.2	-177.2	0	0	0	0	0	115.3	E314 T338	E314-G316 PolarHBondContact O-N 3.06Å; G316-T338 WeakPolarHBondContact CA-O 3.4Å; G316-T338 PolarHBondContact N-O 3.32Å
317	M	97.8	Very high	95.9	Very high	16 Å²	16	35 Å²	35	8%	0.079	20%	0.196	C	C	.	.			trans	-70.4	142.5	-175.5	-174.2	-178.1	-89	0	0	113	E314 D315 V339 H340 D395 L396	E314-M317 HydrophobicContact CB-CB 4.49Å; E314-M317 HydrophobicContact CB-CE 3.92Å; E314-M317 HydrophobicContact CG-CE 3.9Å; E314-M317 WeakPolarHBondContact O-CB 3.44Å; E314-M317 PolarHBondContact O-N 3.31Å; D315-M317 VanDerWaalsContact C-N 3.29Å; D315-M317 PolarHBondContact O-N 2.67Å; M317-V339 WeakPolarHBondContact O-CG1 3.45Å; M317-H340 PolarHBondContact O-N 3.18Å; M317-D395 HydrophobicContact CE-CB 4.47Å; M317-D395 HydrophobicContact CG-CB 3.64Å; M317-L396 HydrophobicContact CE-CB 4.3Å; M317-L396 HydrophobicContact CG-CB 4.37Å; M317-L396 HydrophobicContact SD-CB 3.47Å; M317-L396 WeakPolarHBondContact SD-CB 3.34Å; M317-L396 HydrophobicContact SD-CD2 3.71Å; M317-L396 HydrophobicContact SD-CG 4.23Å
318	Y	98.7	Very high	95.7	Very high	94 Å²	94	37.2 Å²	37.2	37%	0.369	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	119.3	166.1	-66.6	-90.1	0	0	0	110.4	H340 L348 V394 D395 L396	Y318-H340 WeakPolarHBondContact CA-O 3.15Å; Y318-H340 HydrophobicContact CD1-CB 3.58Å; Y318-H340 HydrophobicContact CE1-CB 3.63Å; Y318-H340 AromaticContact CE1-CG 3.92Å; Y318-H340 HydrophobicContact CG-CB 4.32Å; Y318-H340 AromaticContact CZ-CD2 3.94Å; Y318-L348 HydrophobicContact CD1-CD1 3.71Å; Y318-L348 HydrophobicContact CD1-CD2 4.44Å; Y318-L348 HydrophobicContact CE1-CD1 3.97Å; Y318-L348 HydrophobicContact CE1-CD2 4.01Å; Y318-L348 HydrophobicContact CE1-CG 4.48Å; Y318-V394 WeakPolarHBondContact O-CG1 3.44Å; Y318-D395 PolarHBondContact N-OD2 2.94Å; Y318-D395 WeakPolarHBondContact O-CB 3.22Å; Y318-D395 PolarHBondContact O-N 2.9Å; Y318-L396 PolarHBondContact O-N 2.96Å; Y318-L396 VanDerWaalsContact O-N 3.15Å
319	A	98.6	Very high	95.5	Very high	0 Å²	0	37 Å²	37	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	140.2	-175.9	0	0	0	0	0	112.9	F313 L321 V339 H340 L341 Q342 L396	F313-A319 HydrophobicContact CE1-CB 4.15Å; A319-L321 HydrophobicContact CB-CD2 4.34Å; A319-V339 HydrophobicContact CB-CG1 4.06Å; A319-H340 PolarHBondContact N-O 2.97Å; A319-L341 HydrophobicContact CB-CD2 4.12Å; A319-L341 WeakPolarHBondContact O-CA 3.46Å; A319-Q342 PolarHBondContact O-N 2.9Å; A319-L396 CarbonylContact C-O 3.47Å; A319-L396 WeakPolarHBondContact CA-O 3.5Å; A319-L396 HydrophobicContact CB-CB 4.18Å; A319-L396 HydrophobicContact CB-CD2 4.41Å
320	N	98.6	Very high	95.3	Very high	4 Å²	4	38 Å²	38	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.2	164.7	-178.9	-66.9	0	0	0	109.1	Q342 V394 L396 T397 M398 L429	N320-Q342 PolarHBondContact ND2-OE1 3.19Å; N320-V394 HydrophobicContact CB-CG1 4.08Å; N320-L396 PolarHBondContact N-O 3.19Å; N320-T397 WeakPolarHBondContact O-CA 3.31Å; N320-M398 PolarHBondContact O-N 2.96Å; N320-L429 HydrophobicContact CB-CD2 3.81Å; N320-L429 WeakPolarHBondContact ND2-CD2 3.29Å; N320-L429 WeakPolarHBondContact OD1-CD2 3.47Å
321	L	96.7	Very high	95	Very high	20 Å²	20	42.9 Å²	42.9	11%	0.105	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	119	-173.9	-56.8	-179.7	0	0	0	110.6	F313 A319 P326 L341 M398	F313-L321 HydrophobicContact CE1-CD1 4.15Å; F313-L321 HydrophobicContact CE1-CD2 3.88Å; F313-L321 HydrophobicContact CZ-CD1 3.78Å; F313-L321 HydrophobicContact CZ-CD2 3.82Å; F313-L321 HydrophobicContact CZ-CG 4.45Å; A319-L321 HydrophobicContact CB-CD2 4.34Å; L321-P326 HydrophobicContact CB-CB 4.19Å; L321-P326 HydrophobicContact CD2-CB 4.38Å; L321-L341 HydrophobicContact CD1-CD1 4.17Å; L321-L341 HydrophobicContact CD1-CD2 3.57Å; L321-L341 HydrophobicContact CG-CD2 4.06Å; L321-M398 HydrophobicContact CD2-CB 3.85Å
322	G	91.4	Very high	94.7	Very high	19 Å²	19	42.8 Å²	42.8	20%	0.196	24%	0.238	C	C	.	.			trans	-64	159.3	171.3	0	0	0	0	0	112.5	P326 L327 M398	G322-P326 WeakPolarHBondContact O-CB 3.31Å; G322-L327 PolarHBondContact O-N 3.28Å; G322-L327 VanDerWaalsContact O-N 3.13Å; G322-M398 PolarHBondContact N-O 3.5Å
323	I	88.1	Confident	94.4	Very high	104 Å²	104	44.4 Å²	44.4	53%	0.533	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	150	176.7	62.3	170.2	0	0	0	112
324	G	89.5	Confident	94	Very high	41 Å²	41	45.8 Å²	45.8	42%	0.423	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-129	178.1	0	0	0	0	0	112.8	P326 L327 L328	G324-P326 VanDerWaalsContact C-CD 3.49Å; G324-L327 PolarHBondContact O-N 2.82Å; G324-L328 WeakPolarHBondContact O-CG 3.44Å; G324-L328 PolarHBondContact O-N 2.83Å
325	I	93.2	Very high	93.7	Very high	25 Å²	25	46.2 Å²	46.2	13%	0.128	27%	0.271	C	S	.	.	H	α-helix	trans	-53.1	-46.2	-173.9	-68	168.2	0	0	0	113.3	I305 I306 L327 L328 A329 T440	I305-I325 HydrophobicContact CB-CD1 4.35Å; I305-I325 HydrophobicContact CB-CG2 4.26Å; I305-I325 HydrophobicContact CD1-CD1 4.05Å; I305-I325 HydrophobicContact CG2-CD1 4.22Å; I305-I325 HydrophobicContact CG2-CG2 3.69Å; I306-I325 HydrophobicContact CG1-CB 4.3Å; I306-I325 HydrophobicContact CG1-CG1 4.25Å; I306-I325 HydrophobicContact CG1-CG2 3.82Å; I325-L327 PolarHBondContact O-N 3.42Å; I325-L328 PolarHBondContact O-N 2.92Å; I325-A329 PolarHBondContact O-N 3.47Å; I325-T440 HydrophobicContact CG2-CG2 4.08Å
326	P	94.7	Very high	93.4	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	28%	0.28	C	S	.	.	H	α-helix	trans	-61	-47.6	-179.5	-20	29.3	0	0	0	113	L321 G322 G324 L328 A329 M398 T440	L321-P326 HydrophobicContact CB-CB 4.19Å; L321-P326 HydrophobicContact CD2-CB 4.38Å; G322-P326 WeakPolarHBondContact O-CB 3.31Å; G324-P326 VanDerWaalsContact C-CD 3.49Å; P326-L328 VanDerWaalsContact C-N 3.35Å; P326-L328 PolarHBondContact O-N 2.9Å; P326-A329 WeakPolarHBondContact O-CB 3.46Å; P326-A329 PolarHBondContact O-N 2.89Å; P326-M398 HydrophobicContact CB-CB 3.94Å; P326-M398 HydrophobicContact CB-CG 3.78Å; P326-M398 VanDerWaalsContact CB-O 3.27Å; P326-M398 WeakPolarHBondContact CB-O 3.34Å; P326-M398 HydrophobicContact CB-SD 3.88Å; P326-M398 HydrophobicContact CG-CG 4.13Å; P326-M398 WeakPolarHBondContact CG-O 3.46Å; P326-T440 WeakPolarHBondContact CD-OG1 3.39Å; P326-T440 WeakPolarHBondContact CG-OG1 3.21Å
327	L	91.6	Very high	93.3	Very high	29 Å²	29	48.4 Å²	48.4	15%	0.152	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-40.9	176.8	-176.9	62.1	0	0	0	111.6	G322 G324 I325 A329 S330	G322-L327 PolarHBondContact O-N 3.28Å; G322-L327 VanDerWaalsContact O-N 3.13Å; G324-L327 PolarHBondContact O-N 2.82Å; I325-L327 PolarHBondContact O-N 3.42Å; L327-A329 VanDerWaalsContact C-N 3.28Å; L327-A329 PolarHBondContact O-N 3.45Å; L327-S330 WeakPolarHBondContact O-CB 3.33Å; L327-S330 PolarHBondContact O-N 2.68Å; L327-S330 VanDerWaalsContact O-N 3.15Å; L327-S330 PolarHBondContact O-OG 2.97Å
328	L	91.7	Very high	93.2	Very high	72 Å²	72	51.4 Å²	51.4	38%	0.377	29%	0.292	S	S	.	.	H	α-helix	trans	-65	-30.3	177.8	-70.5	172.4	0	0	0	113.1	I306 G324 I325 P326 S330 N331	I306-L328 HydrophobicContact CD1-CB 3.86Å; I306-L328 HydrophobicContact CD1-CD1 3.78Å; I306-L328 HydrophobicContact CD1-CG 4.49Å; I306-L328 HydrophobicContact CG1-CB 4.11Å; I306-L328 HydrophobicContact CG2-CB 4.3Å; G324-L328 WeakPolarHBondContact O-CG 3.44Å; G324-L328 PolarHBondContact O-N 2.83Å; I325-L328 PolarHBondContact O-N 2.92Å; P326-L328 VanDerWaalsContact C-N 3.35Å; P326-L328 PolarHBondContact O-N 2.9Å; L328-S330 PolarHBondContact O-N 3.45Å; L328-N331 WeakPolarHBondContact O-CB 3.46Å; L328-N331 PolarHBondContact O-N 3.45Å; L328-N331 PolarHBondContact O-ND2 2.93Å
329	A	93.9	Very high	93.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-61.7	-28.1	175.2	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 3.88Å; A310-A329 HydrophobicContact CB-CB 4.5Å; F313-A329 HydrophobicContact CE2-CB 4.05Å; I325-A329 PolarHBondContact O-N 3.47Å; P326-A329 WeakPolarHBondContact O-CB 3.46Å; P326-A329 PolarHBondContact O-N 2.89Å; L327-A329 VanDerWaalsContact C-N 3.28Å; L327-A329 PolarHBondContact O-N 3.45Å; A329-N331 PolarHBondContact O-N 3.17Å; A329-F332 PolarHBondContact O-N 3.05Å; A329-F332 VanDerWaalsContact O-N 3.08Å
330	S	93	Very high	93.2	Very high	22 Å²	22	50.7 Å²	50.7	15%	0.154	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-64.2	-23.2	177.5	73	0	0	0	0	113.7	L327 L328 F332 I333	L327-S330 WeakPolarHBondContact O-CB 3.33Å; L327-S330 PolarHBondContact O-N 2.68Å; L327-S330 VanDerWaalsContact O-N 3.15Å; L327-S330 PolarHBondContact O-OG 2.97Å; L328-S330 PolarHBondContact O-N 3.45Å; S330-F332 PolarHBondContact O-N 2.73Å; S330-I333 WeakPolarHBondContact O-CB 3.42Å; S330-I333 WeakPolarHBondContact O-CD1 3.49Å; S330-I333 WeakPolarHBondContact O-CG1 3.39Å; S330-I333 PolarHBondContact O-N 3.13Å
331	N	90.4	Very high	93.1	Very high	108 Å²	108	51.4 Å²	51.4	58%	0.578	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-68.1	-17.7	175.8	-64	-40.7	0	0	0	112.9	L328 A329	L328-N331 WeakPolarHBondContact O-CB 3.46Å; L328-N331 PolarHBondContact O-N 3.45Å; L328-N331 PolarHBondContact O-ND2 2.93Å; A329-N331 PolarHBondContact O-N 3.17Å
332	F	92	Very high	93.2	Very high	60 Å²	60	50.8 Å²	50.8	26%	0.263	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-102	7.3	179.1	-64.8	-92.1	0	0	0	112.3	I306 K307 A310 A329 S330 S334 I518	I306-F332 HydrophobicContact CG2-CD2 3.61Å; I306-F332 HydrophobicContact CG2-CE2 3.42Å; I306-F332 VanDerWaalsContact CG2-CE2 3.42Å; I306-F332 HydrophobicContact CG2-CZ 4.45Å; K307-F332 HydrophobicContact CG-CD1 4.43Å; K307-F332 HydrophobicContact CG-CE1 4.19Å; K307-F332 HydrophobicContact CG-CZ 4.4Å; A310-F332 HydrophobicContact CB-CB 3.62Å; A329-F332 PolarHBondContact O-N 3.05Å; A329-F332 VanDerWaalsContact O-N 3.08Å; S330-F332 PolarHBondContact O-N 2.73Å; F332-S334 PolarHBondContact O-N 3.15Å; F332-I518 HydrophobicContact CB-CD1 4.49Å; F332-I518 HydrophobicContact CB-CG2 3.97Å; F332-I518 HydrophobicContact CD1-CG2 3.98Å; F332-I518 HydrophobicContact CG-CG2 4.22Å; F332-I518 WeakPolarHBondContact O-CD1 3.45Å
333	I	91.1	Very high	93.6	Very high	38 Å²	38	50 Å²	50	20%	0.195	29%	0.285	C	S	.	.	S	Bend	trans	-60.1	123.7	171.4	-69.4	167.1	0	0	0	107.9	F313 S330 I337 V339	F313-I333 HydrophobicContact CB-CG1 4.25Å; F313-I333 HydrophobicContact CD1-CD1 4.19Å; F313-I333 HydrophobicContact CD1-CG1 4.45Å; F313-I333 HydrophobicContact CD2-CD1 3.88Å; F313-I333 HydrophobicContact CD2-CG1 3.38Å; F313-I333 HydrophobicContact CE1-CD1 4.24Å; F313-I333 HydrophobicContact CE2-CD1 3.96Å; F313-I333 HydrophobicContact CE2-CG1 3.77Å; F313-I333 HydrophobicContact CG-CD1 4.02Å; F313-I333 HydrophobicContact CG-CG1 3.78Å; F313-I333 HydrophobicContact CZ-CD1 4.15Å; F313-I333 HydrophobicContact CZ-CG1 4.46Å; S330-I333 WeakPolarHBondContact O-CB 3.42Å; S330-I333 WeakPolarHBondContact O-CD1 3.49Å; S330-I333 WeakPolarHBondContact O-CG1 3.39Å; S330-I333 PolarHBondContact O-N 3.13Å; I333-I337 HydrophobicContact CG2-CD1 4.06Å; I333-I337 HydrophobicContact CG2-CG1 3.69Å; I333-V339 HydrophobicContact CD1-CB 3.96Å; I333-V339 HydrophobicContact CD1-CG1 4.39Å; I333-V339 HydrophobicContact CD1-CG2 3.92Å; I333-V339 HydrophobicContact CG1-CG2 4.37Å; I333-V339 HydrophobicContact CG2-CG2 4.01Å
334	S	89.7	Confident	94	Very high	43 Å²	43	46.1 Å²	46.1	30%	0.301	26%	0.264	S	S	.	.			trans	-56.4	135	177.8	175	0	0	0	0	109.9	F332 N336 I337	F332-S334 PolarHBondContact O-N 3.15Å; S334-N336 PolarHBondContact O-N 3.32Å; S334-N336 PolarHBondContact OG-N 2.91Å; S334-I337 WeakPolarHBondContact O-CG1 3.32Å; S334-I337 PolarHBondContact O-N 2.9Å
335	P	90.3	Very high	94.5	Very high	128 Å²	128	44.1 Å²	44.1	83%	0.831	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-9.6	176.5	27.4	-35.8	0	0	0	113.2
336	N	93	Very high	94.7	Very high	144 Å²	144	43 Å²	43	77%	0.77	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-5.6	178	-60.4	-29.4	0	0	0	113.8	S334	S334-N336 PolarHBondContact O-N 3.32Å; S334-N336 PolarHBondContact OG-N 2.91Å
337	I	94.3	Very high	94.9	Very high	49 Å²	49	42.9 Å²	42.9	25%	0.251	24%	0.238	S	C	.	.	S	Bend	trans	-122.1	153.5	175.1	68.7	170.9	0	0	0	110.3	F313 D315 I333 S334 V339	F313-I337 HydrophobicContact CB-CD1 4.26Å; D315-I337 HydrophobicContact CB-CB 3.91Å; D315-I337 HydrophobicContact CB-CG2 3.94Å; D315-I337 WeakPolarHBondContact OD1-CA 3.42Å; I333-I337 HydrophobicContact CG2-CD1 4.06Å; I333-I337 HydrophobicContact CG2-CG1 3.69Å; S334-I337 WeakPolarHBondContact O-CG1 3.32Å; S334-I337 PolarHBondContact O-N 2.9Å; I337-V339 HydrophobicContact CD1-CG2 4.33Å
338	T	96.8	Very high	95.2	Very high	78 Å²	78	42.9 Å²	42.9	48%	0.479	24%	0.238	S	C	.	.			trans	-111.6	123.2	178	-56.3	0	0	0	0	109.7	D315 G316	D315-T338 PolarHBondContact OD1-N 3.07Å; G316-T338 WeakPolarHBondContact CA-O 3.4Å; G316-T338 PolarHBondContact N-O 3.32Å
339	V	97.9	Very high	95.6	Very high	14 Å²	14	39.8 Å²	39.8	9%	0.085	22%	0.223	C	C	.	.			trans	-120.6	130.9	173	-176.4	0	0	0	0	108.8	F313 M317 A319 I333 I337 L341	F313-V339 HydrophobicContact CB-CG2 3.95Å; F313-V339 HydrophobicContact CD1-CG1 3.9Å; F313-V339 HydrophobicContact CD1-CG2 4.14Å; F313-V339 HydrophobicContact CE1-CG1 4.3Å; F313-V339 HydrophobicContact CG-CG2 4.25Å; M317-V339 WeakPolarHBondContact O-CG1 3.45Å; A319-V339 HydrophobicContact CB-CG1 4.06Å; I333-V339 HydrophobicContact CD1-CB 3.96Å; I333-V339 HydrophobicContact CD1-CG1 4.39Å; I333-V339 HydrophobicContact CD1-CG2 3.92Å; I333-V339 HydrophobicContact CG1-CG2 4.37Å; I333-V339 HydrophobicContact CG2-CG2 4.01Å; I337-V339 HydrophobicContact CD1-CG2 4.33Å; V339-L341 HydrophobicContact CG1-CD2 3.9Å
340	H	98.3	Very high	95.7	Very high	65 Å²	65	40.5 Å²	40.5	30%	0.301	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	105	179.3	-61.9	-70.8	0	0	0	110.4	M317 Y318 A319 Q342 L348	M317-H340 PolarHBondContact O-N 3.18Å; Y318-H340 WeakPolarHBondContact CA-O 3.15Å; Y318-H340 HydrophobicContact CD1-CB 3.58Å; Y318-H340 HydrophobicContact CE1-CB 3.63Å; Y318-H340 AromaticContact CE1-CG 3.92Å; Y318-H340 HydrophobicContact CG-CB 4.32Å; Y318-H340 AromaticContact CZ-CD2 3.94Å; A319-H340 PolarHBondContact N-O 2.97Å; H340-Q342 PolarHBondContact O-N 3.23Å; H340-L348 HydrophobicContact CB-CD1 4.14Å
341	L	98.4	Very high	95.9	Very high	20 Å²	20	40.1 Å²	40.1	11%	0.105	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	118.1	-178.3	-61	-173.7	0	0	0	111.5	A319 L321 V339 G349 L350	A319-L341 HydrophobicContact CB-CD2 4.12Å; A319-L341 WeakPolarHBondContact O-CA 3.46Å; L321-L341 HydrophobicContact CD1-CD1 4.17Å; L321-L341 HydrophobicContact CD1-CD2 3.57Å; L321-L341 HydrophobicContact CG-CD2 4.06Å; V339-L341 HydrophobicContact CG1-CD2 3.9Å; L341-G349 PolarHBondContact O-N 3.31Å; L341-L350 HydrophobicContact CB-CB 3.92Å; L341-L350 PolarHBondContact O-N 2.88Å; L341-L350 VanDerWaalsContact O-N 3.1Å
342	Q	98.7	Very high	96.1	Very high	6 Å²	6	37.7 Å²	37.7	3%	0.028	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	141.4	174.2	-165.4	-83	-5.5	0	0	110	A319 N320 H340 V347 L348 S385 M388 V394	A319-Q342 PolarHBondContact O-N 2.9Å; N320-Q342 PolarHBondContact ND2-OE1 3.19Å; H340-Q342 PolarHBondContact O-N 3.23Å; Q342-V347 CarbonylContact C-O 3.59Å; Q342-L348 HydrophobicContact CB-CD1 4.22Å; Q342-S385 PolarHBondContact NE2-OG 3.19Å; Q342-S385 VanDerWaalsContact NE2-OG 3.1Å; Q342-M388 HydrophobicContact CG-SD 3.87Å; Q342-V394 HydrophobicContact CB-CG2 4.44Å; Q342-V394 HydrophobicContact CG-CG2 4.3Å
343	S	98.3	Very high	96.2	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	127.1	173.7	-158.2	0	0	0	0	110.2	N345 G346 V347 A366	S343-N345 VanDerWaalsContact CB-OD1 3.24Å; S343-N345 WeakPolarHBondContact CB-OD1 3.19Å; S343-N345 PolarHBondContact O-N 3.15Å; S343-N345 PolarHBondContact OG-OD1 3.48Å; S343-G346 PolarHBondContact O-N 3.39Å; S343-V347 PolarHBondContact N-O 2.72Å; S343-V347 PolarHBondContact O-N 3.24Å; S343-A366 PolarHBondContact OG-N 3.39Å
344	E	98.1	Very high	96.5	Very high	22 Å²	22	36.3 Å²	36.3	10%	0.103	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.5	-173	65.9	-169.9	-123.3	0	0	114	F64 Q138 G346 A366 S385 F386 I389 G425	F64-E344 HydrophobicContact CZ-CG 4.47Å; Q138-E344 PolarHBondContact NE2-OE1 2.94Å; Q138-E344 PolarHBondContact OE1-OE1 3.42Å; E344-G346 PolarHBondContact O-N 3.01Å; E344-A366 HydrophobicContact CG-CB 3.74Å; E344-S385 VanDerWaalsContact C-OG 3.26Å; E344-S385 WeakPolarHBondContact CA-OG 3.31Å; E344-S385 WeakPolarHBondContact O-CB 3.35Å; E344-S385 PolarHBondContact O-OG 2.85Å; E344-F386 HydrophobicContact CB-CE1 4.44Å; E344-F386 HydrophobicContact CB-CE2 4.29Å; E344-F386 HydrophobicContact CB-CZ 3.8Å; E344-F386 HydrophobicContact CG-CZ 4.45Å; E344-I389 HydrophobicContact CB-CD1 4.22Å; E344-G425 PolarHBondContact OE1-N 3.07Å
345	N	98.2	Very high	96.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	4.8	174.8	66.6	-50.6	0	0	0	115.1	F64 S226 S343 I364	F64-N345 HydrophobicContact CB-CB 4.38Å; F64-N345 HydrophobicContact CD1-CB 3.52Å; F64-N345 HydrophobicContact CD2-CB 3.73Å; F64-N345 HydrophobicContact CE1-CB 3.54Å; F64-N345 HydrophobicContact CE2-CB 3.77Å; F64-N345 HydrophobicContact CG-CB 3.62Å; F64-N345 HydrophobicContact CZ-CB 3.69Å; S226-N345 WeakPolarHBondContact CB-ND2 3.4Å; S343-N345 VanDerWaalsContact CB-OD1 3.24Å; S343-N345 WeakPolarHBondContact CB-OD1 3.19Å; S343-N345 PolarHBondContact O-N 3.15Å; S343-N345 PolarHBondContact OG-OD1 3.48Å; N345-I364 PolarHBondContact ND2-O 3.48Å
346	G	98.7	Very high	97	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.7	40.6	169.6	0	0	0	0	0	115	S343 E344 F379 F380	S343-G346 PolarHBondContact O-N 3.39Å; E344-G346 PolarHBondContact O-N 3.01Å; G346-F379 WeakPolarHBondContact O-CA 3.18Å; G346-F380 VanDerWaalsContact CA-O 3.3Å; G346-F380 WeakPolarHBondContact CA-O 3.2Å; G346-F380 PolarHBondContact O-N 3.03Å
347	V	98.8	Very high	97.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.3	178	-167.1	0	0	0	0	110.1	Q342 S343 L350 I373 F379 F380	Q342-V347 CarbonylContact C-O 3.59Å; S343-V347 PolarHBondContact N-O 2.72Å; S343-V347 PolarHBondContact O-N 3.24Å; V347-L350 HydrophobicContact CB-CD2 4.12Å; V347-L350 HydrophobicContact CG1-CD2 3.85Å; V347-L350 HydrophobicContact CG1-CG 4.42Å; V347-I373 HydrophobicContact CG1-CG2 3.96Å; V347-F379 HydrophobicContact CB-CD1 4.46Å; V347-F379 HydrophobicContact CB-CE1 4.45Å; V347-F379 HydrophobicContact CG1-CD1 4.23Å; V347-F379 HydrophobicContact CG1-CE1 3.9Å; V347-F379 HydrophobicContact CG2-CD1 3.93Å; V347-F379 HydrophobicContact CG2-CE1 3.88Å; V347-F380 VanDerWaalsContact C-CZ 3.43Å; V347-F380 WeakPolarHBondContact O-CZ 3.26Å
348	L	98.7	Very high	97.2	Very high	29 Å²	29	39.9 Å²	39.9	15%	0.152	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	130.5	165.3	174	64.6	0	0	0	108.8	Y318 H340 Q342 A377 S378 F380	Y318-L348 HydrophobicContact CD1-CD1 3.71Å; Y318-L348 HydrophobicContact CD1-CD2 4.44Å; Y318-L348 HydrophobicContact CE1-CD1 3.97Å; Y318-L348 HydrophobicContact CE1-CD2 4.01Å; Y318-L348 HydrophobicContact CE1-CG 4.48Å; H340-L348 HydrophobicContact CB-CD1 4.14Å; Q342-L348 HydrophobicContact CB-CD1 4.22Å; L348-A377 CarbonylContact O-C 3.59Å; L348-A377 WeakPolarHBondContact O-CA 3.48Å; L348-A377 WeakPolarHBondContact O-CB 3.26Å; L348-S378 PolarHBondContact N-O 3.16Å; L348-S378 PolarHBondContact O-N 2.68Å; L348-F380 HydrophobicContact CB-CE1 3.6Å; L348-F380 HydrophobicContact CB-CZ 4Å
349	G	98.3	Very high	97.2	Very high	6 Å²	6	37.7 Å²	37.7	6%	0.062	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.8	43.5	-174.8	0	0	0	0	0	113	L341 G351 I373 L374	L341-G349 PolarHBondContact O-N 3.31Å; G349-G351 PolarHBondContact O-N 2.89Å; G349-I373 WeakPolarHBondContact O-CA 3.31Å; G349-L374 PolarHBondContact O-N 2.79Å
350	L	97.3	Very high	97.3	Very high	15 Å²	15	38.2 Å²	38.2	8%	0.079	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	136.9	170.7	-74.1	-178	0	0	0	111	L341 V347 N365 V371	L341-L350 HydrophobicContact CB-CB 3.92Å; L341-L350 PolarHBondContact O-N 2.88Å; L341-L350 VanDerWaalsContact O-N 3.1Å; V347-L350 HydrophobicContact CB-CD2 4.12Å; V347-L350 HydrophobicContact CG1-CD2 3.85Å; V347-L350 HydrophobicContact CG1-CG 4.42Å; L350-N365 HydrophobicContact CD1-CB 4.15Å; L350-V371 HydrophobicContact CD2-CB 4.34Å; L350-V371 HydrophobicContact CD2-CG2 3.62Å
351	G	95.9	Very high	97.3	Very high	14 Å²	14	35.7 Å²	35.7	14%	0.144	18%	0.181	C	C	.	.			trans	-103.3	-174.2	171	0	0	0	0	0	112.3	G349 T372	G349-G351 PolarHBondContact O-N 2.89Å; G351-T372 PolarHBondContact N-O 2.86Å
352	P	94.6	Very high	97.3	Very high	57 Å²	57	35.1 Å²	35.1	37%	0.37	18%	0.177	S	C	.	.	S	Bend	trans	-63	172.1	174.9	27.3	-36.7	0	0	0	112.5	T372	P352-T372 WeakPolarHBondContact CD-OG1 3.25Å; P352-T372 WeakPolarHBondContact O-CB 3.39Å; P352-T372 PolarHBondContact O-N 3.11Å; P352-T372 PolarHBondContact O-OG1 3.32Å
353	Y	95.8	Very high	97.3	Very high	69 Å²	69	35.1 Å²	35.1	27%	0.271	18%	0.178	S	C	.	.	P	Polyproline II helix	trans	-55.3	144.8	169.4	-62.8	-53	0	0	0	111.5	R285 E369 T370 V371	R285-Y353 WeakPolarHBondContact CD-O 3.29Å; R285-Y353 VanDerWaalsContact CG-O 3.26Å; R285-Y353 WeakPolarHBondContact CG-O 3.24Å; R285-Y353 PolarHBondContact NE-O 2.76Å; Y353-E369 HydrophobicContact CE1-CB 4.02Å; Y353-E369 WeakPolarHBondContact CE1-OE2 3.47Å; Y353-E369 PolarHBondContact OH-OE1 2.82Å; Y353-E369 PolarHBondContact OH-OE2 3.04Å; Y353-T370 WeakPolarHBondContact CD1-O 3.48Å; Y353-V371 HydrophobicContact CD1-CG1 4.32Å; Y353-V371 HydrophobicContact CE1-CG1 4.47Å
354	P	96.6	Very high	97.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	P	Polyproline II helix	trans	-69.5	154.3	-179.1	27.4	-34.2	0	0	0	112.1	S283 I284 R285 E358 A359 T370 T372	S283-P354 WeakPolarHBondContact O-CD 3.36Å; I284-P354 VanDerWaalsContact CA-O 3.27Å; I284-P354 WeakPolarHBondContact CA-O 3.27Å; I284-P354 HydrophobicContact CD1-CG 4.12Å; R285-P354 PolarHBondContact N-O 3.46Å; P354-E358 HydrophobicContact CB-CB 3.55Å; P354-A359 HydrophobicContact CG-CB 4.27Å; P354-T370 WeakPolarHBondContact CD-O 3.36Å; P354-T372 HydrophobicContact CB-CG2 3.75Å
355	R	95.7	Very high	97.2	Very high	98 Å²	98	34.8 Å²	34.8	37%	0.37	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-67.2	163.9	155.8	-64.8	174.9	176	160.8	-6.3	109.1	R285 E287 H357 E358 A359	R285-R355 HydrophobicContact CG-CG 4.35Å; E287-R355 IonicContact OE1-CZ 3.75Å; E287-R355 IonicContact OE1-NE 3.71Å; E287-R355 IonicContact OE1-NH2 3.86Å; R355-H357 PolarHBondContact O-N 3.06Å; R355-H357 VanDerWaalsContact O-N 3.09Å; R355-E358 HydrophobicContact CB-CG 4.1Å; R355-E358 WeakPolarHBondContact CB-OE2 3.34Å; R355-E358 WeakPolarHBondContact CG-OE2 3.37Å; R355-E358 PolarHBondContact N-OE2 3.4Å; R355-E358 WeakPolarHBondContact O-CB 3.49Å; R355-E358 PolarHBondContact O-N 3.16Å; R355-A359 PolarHBondContact O-N 2.88Å
356	Q	94.5	Very high	97	Very high	130 Å²	130	35.8 Å²	35.8	61%	0.607	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-51.4	-39.9	-177.8	-170.6	63.3	39.1	0	0	113.9
357	H	95.1	Very high	96.8	Very high	147 Å²	147	36.1 Å²	36.1	68%	0.681	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-81.7	-11.4	179.8	68.3	-91.4	0	0	0	114.1	R355	R355-H357 PolarHBondContact O-N 3.06Å; R355-H357 VanDerWaalsContact O-N 3.09Å
358	E	96.9	Very high	96.6	Very high	65 Å²	65	37 Å²	37	30%	0.304	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-92.8	-11.3	178.7	-61.7	174.7	145.8	0	0	111.8	R285 P354 R355 D360 T372	R285-E358 IonicContact CZ-OE2 2.73Å; R285-E358 IonicContact NE-OE2 3.66Å; R285-E358 IonicContact NH2-OE1 3.58Å; R285-E358 IonicContact NH2-OE2 3.85Å; R285-E358 PolarHBondContact NH2-OE2 3.18Å; P354-E358 HydrophobicContact CB-CB 3.55Å; R355-E358 HydrophobicContact CB-CG 4.1Å; R355-E358 WeakPolarHBondContact CB-OE2 3.34Å; R355-E358 WeakPolarHBondContact CG-OE2 3.37Å; R355-E358 PolarHBondContact N-OE2 3.4Å; R355-E358 WeakPolarHBondContact O-CB 3.49Å; R355-E358 PolarHBondContact O-N 3.16Å; E358-D360 PolarHBondContact O-N 3.27Å; E358-T372 HydrophobicContact CB-CG2 4.48Å
359	A	97.4	Very high	96.5	Very high	32 Å²	32	37.5 Å²	37.5	26%	0.264	19%	0.193	S	C	.	.			trans	-63.7	129.3	-177	0	0	0	0	0	111.8	L282 I284 P354 R355	L282-A359 HydrophobicContact CD1-CB 4.07Å; I284-A359 HydrophobicContact CD1-CB 3.86Å; P354-A359 HydrophobicContact CG-CB 4.27Å; R355-A359 PolarHBondContact O-N 2.88Å
360	D	98.5	Very high	96.5	Very high	25 Å²	25	37.2 Å²	37.2	13%	0.134	19%	0.19	C	C	.	.			trans	-143.4	124	-174.3	-168.8	-31.5	0	0	0	110.5	R224 K225 E358 D362 L363	R224-D360 IonicContact CZ-OD1 3.89Å; R224-D360 IonicContact CZ-OD2 3.65Å; R224-D360 VanDerWaalsContact NH1-CG 3.27Å; R224-D360 IonicContact NH1-OD1 3.61Å; R224-D360 PolarHBondContact NH1-OD1 3.14Å; R224-D360 IonicContact NH1-OD2 2.76Å; R224-D360 PolarHBondContact NH1-OD2 2.76Å; R224-D360 IonicContact NH2-OD2 3.63Å; R224-D360 PolarHBondContact NH2-OD2 3.06Å; K225-D360 WeakPolarHBondContact CE-OD2 3.25Å; K225-D360 IonicContact NZ-OD2 2.8Å; K225-D360 PolarHBondContact NZ-OD2 3.02Å; E358-D360 PolarHBondContact O-N 3.27Å; D360-D362 PolarHBondContact O-N 3.19Å; D360-D362 PolarHBondContact OD1-N 3.45Å; D360-L363 HydrophobicContact CB-CB 4.3Å; D360-L363 PolarHBondContact O-N 3.08Å
361	A	98.5	Very high	96.5	Very high	12 Å²	12	36.7 Å²	36.7	10%	0.099	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-21.4	-179.1	0	0	0	0	0	113.6	C67 K277 I279 L363	C67-A361 PolarHBondContact SG-O 3.13Å; K277-A361 HydrophobicContact CB-CB 4.11Å; K277-A361 HydrophobicContact CD-CB 4.4Å; K277-A361 WeakPolarHBondContact O-CB 3.3Å; I279-A361 HydrophobicContact CD1-CB 4.4Å; I279-A361 HydrophobicContact CG1-CB 3.77Å; A361-L363 VanDerWaalsContact C-N 3.28Å
362	D	98.8	Very high	96.6	Very high	7 Å²	7	36.9 Å²	36.9	4%	0.037	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-0.2	176.4	-57.5	-31.4	0	0	0	112.4	R224 K225 S226 A227 K277 D360	R224-D362 IonicContact CZ-OD2 2.79Å; R224-D362 IonicContact NH1-OD2 3.07Å; R224-D362 PolarHBondContact NH1-OD2 3.03Å; K225-D362 HydrophobicContact CB-CB 4.23Å; K225-D362 VanDerWaalsContact CB-O 3.23Å; K225-D362 WeakPolarHBondContact CB-O 3.23Å; S226-D362 WeakPolarHBondContact CA-O 3.48Å; S226-D362 WeakPolarHBondContact CB-O 3.32Å; S226-D362 PolarHBondContact N-O 3.38Å; S226-D362 PolarHBondContact OG-O 3.43Å; A227-D362 HydrophobicContact CB-CB 4.09Å; A227-D362 PolarHBondContact N-O 3.06Å; K277-D362 IonicContact NZ-OD1 3.78Å; K277-D362 PolarHBondContact NZ-OD1 3.48Å; K277-D362 IonicContact NZ-OD2 3.51Å; K277-D362 PolarHBondContact NZ-OD2 3.21Å; D360-D362 PolarHBondContact O-N 3.19Å; D360-D362 PolarHBondContact OD1-N 3.45Å
363	L	98.8	Very high	96.8	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.031	19%	0.185	C	C	.	.			trans	-128.7	95.7	-178.9	-170.8	55.1	0	0	0	112.9	K225 S226 D360 A361 V371 I373 F379	K225-L363 HydrophobicContact CD-CB 3.86Å; K225-L363 HydrophobicContact CD-CD2 4.26Å; K225-L363 HydrophobicContact CD-CG 4.48Å; S226-L363 WeakPolarHBondContact OG-CA 3.3Å; D360-L363 HydrophobicContact CB-CB 4.3Å; D360-L363 PolarHBondContact O-N 3.08Å; A361-L363 VanDerWaalsContact C-N 3.28Å; L363-V371 HydrophobicContact CD1-CG2 4.24Å; L363-V371 VanDerWaalsContact CD2-O 3.22Å; L363-V371 WeakPolarHBondContact CD2-O 3.2Å; L363-V371 HydrophobicContact CG-CG2 4.01Å; L363-V371 VanDerWaalsContact CG-O 3.32Å; L363-V371 WeakPolarHBondContact CG-O 3.27Å; L363-V371 PolarHBondContact O-N 3.47Å; L363-V371 VanDerWaalsContact O-N 3.16Å; L363-I373 HydrophobicContact CD1-CG2 4Å; L363-I373 HydrophobicContact CD2-CG2 4.14Å; L363-F379 HydrophobicContact CD1-CE1 3.68Å; L363-F379 HydrophobicContact CD1-CZ 3.91Å
364	I	98.3	Very high	96.9	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.051	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-130	159.4	178.9	60.7	165.3	0	0	0	111.9	F64 C67 S226 N345 K368 E369	F64-I364 HydrophobicContact CD1-CD1 3.87Å; F64-I364 HydrophobicContact CE1-CD1 4.4Å; C67-I364 HydrophobicContact CB-CD1 3.41Å; C67-I364 VanDerWaalsContact CB-CD1 3.41Å; C67-I364 HydrophobicContact CB-CG1 3.78Å; S226-I364 PolarHBondContact OG-N 3.11Å; N345-I364 PolarHBondContact ND2-O 3.48Å; I364-K368 HydrophobicContact CD1-CD 3.91Å; I364-E369 CarbonylContact C-O 3.6Å; I364-E369 WeakPolarHBondContact CA-O 3.39Å; I364-E369 WeakPolarHBondContact CB-O 3.47Å
365	N	96.3	Very high	96.9	Very high	8 Å²	8	44.2 Å²	44.2	4%	0.043	23%	0.234	C	C	.	.			trans	-86.6	179.6	168.1	68.1	15.9	0	0	0	112.2	L350 G367 K368 E369 V371	L350-N365 HydrophobicContact CD1-CB 4.15Å; N365-G367 PolarHBondContact O-N 2.88Å; N365-G367 VanDerWaalsContact OD1-CA 3.28Å; N365-G367 WeakPolarHBondContact OD1-CA 3.41Å; N365-G367 PolarHBondContact OD1-N 2.83Å; N365-K368 PolarHBondContact O-N 2.86Å; N365-K368 PolarHBondContact OD1-N 2.85Å; N365-E369 PolarHBondContact N-O 3.48Å; N365-E369 PolarHBondContact ND2-OE2 2.91Å; N365-E369 WeakPolarHBondContact OD1-CB 3.26Å; N365-E369 PolarHBondContact OD1-N 2.9Å; N365-V371 HydrophobicContact CB-CG1 3.74Å; N365-V371 HydrophobicContact CB-CG2 4.42Å
366	A	94.4	Very high	97	Very high	22 Å²	22	43.7 Å²	43.7	18%	0.182	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-32.7	175.9	0	0	0	0	0	113.6	S343 E344 K368	S343-A366 PolarHBondContact OG-N 3.39Å; E344-A366 HydrophobicContact CG-CB 3.74Å; A366-K368 PolarHBondContact O-N 2.86Å; A366-K368 PolarHBondContact O-NZ 2.92Å
367	G	93.3	Very high	97.2	Very high	7 Å²	7	38.9 Å²	38.9	7%	0.072	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	5	177.1	0	0	0	0	0	115.6	R281 N365 E369	R281-G367 PolarHBondContact NH1-O 3.18Å; N365-G367 PolarHBondContact O-N 2.88Å; N365-G367 VanDerWaalsContact OD1-CA 3.28Å; N365-G367 WeakPolarHBondContact OD1-CA 3.41Å; N365-G367 PolarHBondContact OD1-N 2.83Å; G367-E369 PolarHBondContact O-N 2.88Å
368	K	96	Very high	97.4	Very high	19 Å²	19	34.2 Å²	34.2	8%	0.083	23%	0.225	C	C	.	.	S	Bend	trans	68.2	18.5	-179.1	-43.3	-58.7	-178	-68	0	114.5	F64 E280 R281 I364 N365 A366	F64-K368 HydrophobicContact CD1-CD 3.64Å; F64-K368 VanDerWaalsContact CD1-CE 3.4Å; F64-K368 HydrophobicContact CE1-CD 3.44Å; F64-K368 VanDerWaalsContact CE1-CD 3.44Å; F64-K368 HydrophobicContact CZ-CD 4.36Å; E280-K368 HydrophobicContact CB-CB 4.23Å; E280-K368 HydrophobicContact CG-CB 4.34Å; E280-K368 WeakPolarHBondContact OE2-CG 3.49Å; R281-K368 WeakPolarHBondContact CB-O 3.38Å; R281-K368 PolarHBondContact N-O 3.27Å; I364-K368 HydrophobicContact CD1-CD 3.91Å; N365-K368 PolarHBondContact O-N 2.86Å; N365-K368 PolarHBondContact OD1-N 2.85Å; A366-K368 PolarHBondContact O-N 2.86Å; A366-K368 PolarHBondContact O-NZ 2.92Å
369	E	96.3	Very high	97.5	Very high	38 Å²	38	33.4 Å²	33.4	18%	0.178	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-90.6	141.5	177.4	-57.5	172.8	141.5	0	0	110.6	R281 Y353 I364 N365 G367 V371	R281-E369 HydrophobicContact CB-CG 4.16Å; R281-E369 WeakPolarHBondContact O-CA 3.12Å; Y353-E369 HydrophobicContact CE1-CB 4.02Å; Y353-E369 WeakPolarHBondContact CE1-OE2 3.47Å; Y353-E369 PolarHBondContact OH-OE1 2.82Å; Y353-E369 PolarHBondContact OH-OE2 3.04Å; I364-E369 CarbonylContact C-O 3.6Å; I364-E369 WeakPolarHBondContact CA-O 3.39Å; I364-E369 WeakPolarHBondContact CB-O 3.47Å; N365-E369 PolarHBondContact N-O 3.48Å; N365-E369 PolarHBondContact ND2-OE2 2.91Å; N365-E369 WeakPolarHBondContact OD1-CB 3.26Å; N365-E369 PolarHBondContact OD1-N 2.9Å; G367-E369 PolarHBondContact O-N 2.88Å; E369-V371 PolarHBondContact O-N 3.15Å
370	T	97.8	Very high	97.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-61.9	133.1	171.9	46.6	0	0	0	0	111.3	I279 R281 L282 S283 Y353 P354	I279-T370 HydrophobicContact CD1-CG2 3.89Å; I279-T370 HydrophobicContact CG1-CG2 4.17Å; I279-T370 HydrophobicContact CG2-CG2 3.6Å; R281-T370 PolarHBondContact O-N 3.25Å; L282-T370 HydrophobicContact CD1-CG2 4.19Å; S283-T370 PolarHBondContact N-OG1 3.14Å; S283-T370 PolarHBondContact O-OG1 3Å; Y353-T370 WeakPolarHBondContact CD1-O 3.48Å; P354-T370 WeakPolarHBondContact CD-O 3.36Å
371	V	97.4	Very high	97.6	Very high	5 Å²	5	32 Å²	32	3%	0.03	21%	0.208	C	C	.	.			trans	-134.5	169.8	-177.7	-67.9	0	0	0	0	111.6	L350 Y353 L363 N365 E369	L350-V371 HydrophobicContact CD2-CB 4.34Å; L350-V371 HydrophobicContact CD2-CG2 3.62Å; Y353-V371 HydrophobicContact CD1-CG1 4.32Å; Y353-V371 HydrophobicContact CE1-CG1 4.47Å; L363-V371 HydrophobicContact CD1-CG2 4.24Å; L363-V371 VanDerWaalsContact CD2-O 3.22Å; L363-V371 WeakPolarHBondContact CD2-O 3.2Å; L363-V371 HydrophobicContact CG-CG2 4.01Å; L363-V371 VanDerWaalsContact CG-O 3.32Å; L363-V371 WeakPolarHBondContact CG-O 3.27Å; L363-V371 PolarHBondContact O-N 3.47Å; L363-V371 VanDerWaalsContact O-N 3.16Å; N365-V371 HydrophobicContact CB-CG1 3.74Å; N365-V371 HydrophobicContact CB-CG2 4.42Å; E369-V371 PolarHBondContact O-N 3.15Å
372	T	98.2	Very high	97.6	Very high	18 Å²	18	31.4 Å²	31.4	11%	0.11	20%	0.203	C	C	.	.			trans	-105.4	179.4	166.4	63	0	0	0	0	110.5	G351 P352 P354 E358	G351-T372 PolarHBondContact N-O 2.86Å; P352-T372 WeakPolarHBondContact CD-OG1 3.25Å; P352-T372 WeakPolarHBondContact O-CB 3.39Å; P352-T372 PolarHBondContact O-N 3.11Å; P352-T372 PolarHBondContact O-OG1 3.32Å; P354-T372 HydrophobicContact CB-CG2 3.75Å; E358-T372 HydrophobicContact CB-CG2 4.48Å
373	I	98.2	Very high	97.6	Very high	64 Å²	64	31.6 Å²	31.6	33%	0.328	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	153.9	169.6	54.1	168.8	0	0	0	109.4	V347 G349 L363 A377 F379	V347-I373 HydrophobicContact CG1-CG2 3.96Å; G349-I373 WeakPolarHBondContact O-CA 3.31Å; L363-I373 HydrophobicContact CD1-CG2 4Å; L363-I373 HydrophobicContact CD2-CG2 4.14Å; I373-A377 HydrophobicContact CB-CB 3.68Å; I373-A377 HydrophobicContact CD1-CB 4.11Å; I373-A377 HydrophobicContact CG1-CB 4.39Å; I373-A377 HydrophobicContact CG2-CB 4.1Å; I373-F379 HydrophobicContact CD1-CE2 4.08Å; I373-F379 HydrophobicContact CD1-CZ 4.01Å; I373-F379 HydrophobicContact CG2-CE1 4.36Å; I373-F379 HydrophobicContact CG2-CZ 3.99Å
374	L	97.4	Very high	97.6	Very high	82 Å²	82	36.2 Å²	36.2	43%	0.429	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	161.3	172.4	-60.6	179.9	0	0	0	111.1	G349 G376 A377	G349-L374 PolarHBondContact O-N 2.79Å; L374-G376 PolarHBondContact O-N 3.28Å; L374-A377 WeakPolarHBondContact O-CB 3.15Å; L374-A377 PolarHBondContact O-N 3.06Å; L374-A377 VanDerWaalsContact O-N 3.15Å
375	P	97.9	Very high	97.6	Very high	134 Å²	134	35.7 Å²	35.7	87%	0.87	22%	0.223	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-54	137.7	171.3	-25.9	35.5	0	0	0	111.9	A377	P375-A377 VanDerWaalsContact C-N 3.33Å
376	G	97.5	Very high	97.7	Very high	87 Å²	87	35.3 Å²	35.3	90%	0.897	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	83.9	2.6	-175.8	0	0	0	0	0	114.8	L374	L374-G376 PolarHBondContact O-N 3.28Å
377	A	98.6	Very high	98	Very high	28 Å²	28	36.1 Å²	36.1	23%	0.231	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	156.3	174	0	0	0	0	0	113.3	L348 I373 L374 P375	L348-A377 CarbonylContact O-C 3.59Å; L348-A377 WeakPolarHBondContact O-CA 3.48Å; L348-A377 WeakPolarHBondContact O-CB 3.26Å; I373-A377 HydrophobicContact CB-CB 3.68Å; I373-A377 HydrophobicContact CD1-CB 4.11Å; I373-A377 HydrophobicContact CG1-CB 4.39Å; I373-A377 HydrophobicContact CG2-CB 4.1Å; L374-A377 WeakPolarHBondContact O-CB 3.15Å; L374-A377 PolarHBondContact O-N 3.06Å; L374-A377 VanDerWaalsContact O-N 3.15Å; P375-A377 VanDerWaalsContact C-N 3.33Å
378	S	98.9	Very high	98.2	Very high	50 Å²	50	37.6 Å²	37.6	35%	0.35	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	155.9	178.7	65.9	0	0	0	0	112.5	L348	L348-S378 PolarHBondContact N-O 3.16Å; L348-S378 PolarHBondContact O-N 2.68Å
379	F	98.9	Very high	98.4	Very high	48 Å²	48	36.8 Å²	36.8	21%	0.211	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139	177	-63.7	-71.5	0	0	0	110.8	K225 R228 G346 V347 L363 I373	K225-F379 HydrophobicContact CB-CD1 4.36Å; K225-F379 HydrophobicContact CB-CE1 3.85Å; K225-F379 HydrophobicContact CB-CE2 4.11Å; K225-F379 HydrophobicContact CB-CZ 3.7Å; K225-F379 HydrophobicContact CD-CZ 4.47Å; K225-F379 HydrophobicContact CG-CE1 4.49Å; K225-F379 HydrophobicContact CG-CE2 3.99Å; K225-F379 HydrophobicContact CG-CZ 3.84Å; R228-F379 PolarHBondContact NH1-O 3.31Å; G346-F379 WeakPolarHBondContact O-CA 3.18Å; V347-F379 HydrophobicContact CB-CD1 4.46Å; V347-F379 HydrophobicContact CB-CE1 4.45Å; V347-F379 HydrophobicContact CG1-CD1 4.23Å; V347-F379 HydrophobicContact CG1-CE1 3.9Å; V347-F379 HydrophobicContact CG2-CD1 3.93Å; V347-F379 HydrophobicContact CG2-CE1 3.88Å; L363-F379 HydrophobicContact CD1-CE1 3.68Å; L363-F379 HydrophobicContact CD1-CZ 3.91Å; I373-F379 HydrophobicContact CD1-CE2 4.08Å; I373-F379 HydrophobicContact CD1-CZ 4.01Å; I373-F379 HydrophobicContact CG2-CE1 4.36Å; I373-F379 HydrophobicContact CG2-CZ 3.99Å
380	F	98.9	Very high	98.5	Very high	18 Å²	18	36.7 Å²	36.7	8%	0.079	23%	0.228	C	C	.	.			trans	-146.1	169.6	-178.4	40	-91	0	0	0	110.7	G346 V347 L348 E384 M388	G346-F380 VanDerWaalsContact CA-O 3.3Å; G346-F380 WeakPolarHBondContact CA-O 3.2Å; G346-F380 PolarHBondContact O-N 3.03Å; V347-F380 VanDerWaalsContact C-CZ 3.43Å; V347-F380 WeakPolarHBondContact O-CZ 3.26Å; L348-F380 HydrophobicContact CB-CE1 3.6Å; L348-F380 HydrophobicContact CB-CZ 4Å; F380-E384 HydrophobicContact CB-CB 4.1Å; F380-E384 HydrophobicContact CB-CG 3.96Å; F380-E384 HydrophobicContact CG-CG 4.41Å; F380-M388 HydrophobicContact CE1-CE 4.03Å; F380-M388 HydrophobicContact CE2-CE 4.29Å; F380-M388 HydrophobicContact CZ-CE 3.9Å; F380-M388 HydrophobicContact CZ-SD 4.36Å
381	S	98.9	Very high	98.5	Very high	8 Å²	8	38 Å²	38	6%	0.056	24%	0.241	C	C	.	.			trans	-81.1	168.2	178.7	52.2	0	0	0	0	111.7	D383 E384 S385	S381-D383 WeakPolarHBondContact CB-OD1 3.41Å; S381-D383 PolarHBondContact O-N 3.17Å; S381-D383 PolarHBondContact OG-OD1 2.89Å; S381-E384 PolarHBondContact O-N 3.46Å; S381-S385 WeakPolarHBondContact O-CB 3.4Å; S381-S385 PolarHBondContact O-N 3.45Å
382	S	98.9	Very high	98.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-65.1	-36.6	-179.3	-66.7	0	0	0	0	112.8	N229 F230 S385 F386	N229-S382 WeakPolarHBondContact CA-OG 3.49Å; N229-S382 PolarHBondContact O-N 2.98Å; F230-S382 VanDerWaalsContact CD2-OG 3.24Å; F230-S382 WeakPolarHBondContact CD2-OG 3.09Å; F230-S382 WeakPolarHBondContact CE2-OG 3.31Å; F230-S382 PolarHBondContact N-OG 3.01Å; S382-S385 WeakPolarHBondContact O-CB 3.19Å; S382-S385 PolarHBondContact O-N 3.1Å; S382-F386 VanDerWaalsContact O-CD2 3.26Å; S382-F386 WeakPolarHBondContact O-CD2 3.48Å; S382-F386 PolarHBondContact O-N 2.9Å
383	D	98.9	Very high	98.6	Very high	12 Å²	12	43.4 Å²	43.4	6%	0.064	27%	0.268	C	S	.	.	H	α-helix	trans	-61.6	-44.4	174.9	55.1	-44.3	0	0	0	111.8	A142 R146 P233 S381 F386 A387	A142-D383 HydrophobicContact CB-CB 4.27Å; R146-D383 HydrophobicContact CB-CB 4.11Å; R146-D383 WeakPolarHBondContact CD-OD2 3.24Å; R146-D383 HydrophobicContact CG-CB 4.48Å; P233-D383 HydrophobicContact CB-CB 4.28Å; P233-D383 HydrophobicContact CG-CB 4.4Å; S381-D383 WeakPolarHBondContact CB-OD1 3.41Å; S381-D383 PolarHBondContact O-N 3.17Å; S381-D383 PolarHBondContact OG-OD1 2.89Å; D383-F386 PolarHBondContact O-N 2.72Å; D383-A387 WeakPolarHBondContact O-CB 3.28Å; D383-A387 PolarHBondContact O-N 2.88Å
384	E	98.9	Very high	98.6	Very high	102 Å²	102	40.5 Å²	40.5	48%	0.477	25%	0.253	S	S	.	.	H	α-helix	trans	-66.5	-40.4	175.3	-174.1	60.1	-155.5	0	0	112.2	F380 S381 F386 A387 M388	F380-E384 HydrophobicContact CB-CB 4.1Å; F380-E384 HydrophobicContact CB-CG 3.96Å; F380-E384 HydrophobicContact CG-CG 4.41Å; S381-E384 PolarHBondContact O-N 3.46Å; E384-F386 VanDerWaalsContact C-N 3.3Å; E384-F386 PolarHBondContact O-N 3.03Å; E384-A387 WeakPolarHBondContact O-CB 3.23Å; E384-A387 PolarHBondContact O-N 3Å; E384-M388 PolarHBondContact O-N 3.04Å
385	S	98.9	Very high	98.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-55.4	-46	175.7	-176.6	0	0	0	0	111.6	Q342 E344 S381 S382 M388 I389	Q342-S385 PolarHBondContact NE2-OG 3.19Å; Q342-S385 VanDerWaalsContact NE2-OG 3.1Å; E344-S385 VanDerWaalsContact C-OG 3.26Å; E344-S385 WeakPolarHBondContact CA-OG 3.31Å; E344-S385 WeakPolarHBondContact O-CB 3.35Å; E344-S385 PolarHBondContact O-OG 2.85Å; S381-S385 WeakPolarHBondContact O-CB 3.4Å; S381-S385 PolarHBondContact O-N 3.45Å; S382-S385 WeakPolarHBondContact O-CB 3.19Å; S382-S385 PolarHBondContact O-N 3.1Å; S385-M388 WeakPolarHBondContact O-CB 3.42Å; S385-M388 PolarHBondContact O-N 3.4Å; S385-I389 WeakPolarHBondContact O-CG1 3.31Å; S385-I389 PolarHBondContact O-N 3.44Å; S385-I389 VanDerWaalsContact O-N 3.08Å
386	F	98.9	Very high	98.7	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-83.6	-19.5	179.8	-74.5	-78.9	0	0	0	114	Q138 G139 E344 S382 D383 E384 I389 R390 D428	Q138-F386 HydrophobicContact CB-CE1 4.35Å; Q138-F386 HydrophobicContact CB-CE2 3.93Å; Q138-F386 HydrophobicContact CB-CZ 3.61Å; Q138-F386 HydrophobicContact CG-CD2 4.46Å; Q138-F386 HydrophobicContact CG-CE2 3.46Å; Q138-F386 VanDerWaalsContact CG-CE2 3.46Å; Q138-F386 HydrophobicContact CG-CZ 3.59Å; G139-F386 VanDerWaalsContact CA-CB 3.41Å; G139-F386 VanDerWaalsContact CA-CD1 3.41Å; G139-F386 VanDerWaalsContact CA-CD2 3.44Å; E344-F386 HydrophobicContact CB-CE1 4.44Å; E344-F386 HydrophobicContact CB-CE2 4.29Å; E344-F386 HydrophobicContact CB-CZ 3.8Å; E344-F386 HydrophobicContact CG-CZ 4.45Å; S382-F386 VanDerWaalsContact O-CD2 3.26Å; S382-F386 WeakPolarHBondContact O-CD2 3.48Å; S382-F386 PolarHBondContact O-N 2.9Å; D383-F386 PolarHBondContact O-N 2.72Å; E384-F386 VanDerWaalsContact C-N 3.3Å; E384-F386 PolarHBondContact O-N 3.03Å; F386-I389 HydrophobicContact CD1-CB 4.42Å; F386-I389 HydrophobicContact CD1-CD1 3.83Å; F386-I389 HydrophobicContact CE1-CD1 3.89Å; F386-I389 HydrophobicContact CG-CD1 4.46Å; F386-R390 VanDerWaalsContact O-CB 3.26Å; F386-R390 WeakPolarHBondContact O-CB 3.2Å; F386-R390 WeakPolarHBondContact O-CG 3.19Å; F386-R390 PolarHBondContact O-N 3.32Å; F386-D428 HydrophobicContact CD1-CB 3.49Å; F386-D428 VanDerWaalsContact CD1-CB 3.49Å; F386-D428 HydrophobicContact CE1-CB 3.64Å
387	A	98.9	Very high	98.8	Very high	39 Å²	39	29.6 Å²	29.6	32%	0.322	17%	0.168	S	C	.	.	H	α-helix	trans	-62.2	-45.3	163.3	0	0	0	0	0	110.7	D383 E384 G391	D383-A387 WeakPolarHBondContact O-CB 3.28Å; D383-A387 PolarHBondContact O-N 2.88Å; E384-A387 WeakPolarHBondContact O-CB 3.23Å; E384-A387 PolarHBondContact O-N 3Å; A387-G391 WeakPolarHBondContact O-CA 3.48Å; A387-G391 PolarHBondContact O-N 2.87Å
388	M	98.8	Very high	98.8	Very high	37 Å²	37	28.3 Å²	28.3	18%	0.182	16%	0.157	C	C	.	.	H	α-helix	trans	-59.5	-47.8	175.2	-174.5	-173.3	-62.7	0	0	112	Q342 F380 E384 S385 H393	Q342-M388 HydrophobicContact CG-SD 3.87Å; F380-M388 HydrophobicContact CE1-CE 4.03Å; F380-M388 HydrophobicContact CE2-CE 4.29Å; F380-M388 HydrophobicContact CZ-CE 3.9Å; F380-M388 HydrophobicContact CZ-SD 4.36Å; E384-M388 PolarHBondContact O-N 3.04Å; S385-M388 WeakPolarHBondContact O-CB 3.42Å; S385-M388 PolarHBondContact O-N 3.4Å; M388-H393 HydrophobicContact CG-CB 3.88Å; M388-H393 WeakPolarHBondContact O-CB 3.19Å; M388-H393 PolarHBondContact O-CD2 3.43Å; M388-H393 PolarHBondContact O-N 3Å; M388-H393 VanDerWaalsContact O-N 3.1Å
389	I	98.8	Very high	98.7	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.015	14%	0.143	C	C	.	.	H	α-helix	trans	-65.5	-55.6	179.1	-68.3	162.6	0	0	0	111.2	E344 S385 F386 G391 G392 V394 D428 L429	E344-I389 HydrophobicContact CB-CD1 4.22Å; S385-I389 WeakPolarHBondContact O-CG1 3.31Å; S385-I389 PolarHBondContact O-N 3.44Å; S385-I389 VanDerWaalsContact O-N 3.08Å; F386-I389 HydrophobicContact CD1-CB 4.42Å; F386-I389 HydrophobicContact CD1-CD1 3.83Å; F386-I389 HydrophobicContact CE1-CD1 3.89Å; F386-I389 HydrophobicContact CG-CD1 4.46Å; I389-G391 VanDerWaalsContact C-N 3.28Å; I389-G391 PolarHBondContact O-N 2.8Å; I389-G392 PolarHBondContact O-N 3.16Å; I389-V394 HydrophobicContact CG1-CG2 4.26Å; I389-D428 HydrophobicContact CG2-CB 4.38Å; I389-L429 HydrophobicContact CD1-CD2 3.81Å; I389-L429 HydrophobicContact CG1-CD2 4.11Å; I389-L429 HydrophobicContact CG2-CD2 3.88Å; I389-L429 HydrophobicContact CG2-CG 4.39Å
390	R	98.6	Very high	98.6	Very high	35 Å²	35	25.6 Å²	25.6	13%	0.132	15%	0.148	C	C	.	.	H	α-helix	trans	-66.5	-29.5	-176.7	-70.8	-169.9	-59.6	-98.8	-3.9	113	G139 E143 T157 T159 F386 G392 D428	G139-R390 VanDerWaalsContact CA-NH1 3.26Å; G139-R390 PolarHBondContact O-NH1 3.38Å; E143-R390 IonicContact OE2-NH2 3.75Å; E143-R390 PolarHBondContact OE2-NH2 2.94Å; T157-R390 WeakPolarHBondContact OG1-CD 3.4Å; T159-R390 WeakPolarHBondContact OG1-CD 3.17Å; F386-R390 VanDerWaalsContact O-CB 3.26Å; F386-R390 WeakPolarHBondContact O-CB 3.2Å; F386-R390 WeakPolarHBondContact O-CG 3.19Å; F386-R390 PolarHBondContact O-N 3.32Å; R390-G392 PolarHBondContact O-N 3.01Å; R390-D428 HydrophobicContact CG-CB 4.42Å; R390-D428 IonicContact NH1-OD1 3.75Å; R390-D428 PolarHBondContact NH1-OD1 2.93Å
391	G	98.5	Very high	98.5	Very high	27 Å²	27	25.4 Å²	25.4	28%	0.278	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.8	173.8	0	0	0	0	0	113.7	A387 I389	A387-G391 WeakPolarHBondContact O-CA 3.48Å; A387-G391 PolarHBondContact O-N 2.87Å; I389-G391 VanDerWaalsContact C-N 3.28Å; I389-G391 PolarHBondContact O-N 2.8Å
392	G	98.4	Very high	98.5	Very high	13 Å²	13	27.3 Å²	27.3	13%	0.134	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	37.3	-175.5	0	0	0	0	0	112.7	I389 R390 S432	I389-G392 PolarHBondContact O-N 3.16Å; R390-G392 PolarHBondContact O-N 3.01Å; G392-S432 WeakPolarHBondContact CA-OG 3.46Å
393	H	98.8	Very high	98.4	Very high	125 Å²	125	28.2 Å²	28.2	58%	0.579	16%	0.163	S	C	*	.			trans	-87.3	-13.2	176.1	-62.4	-83.3	0	0	0	112.9	M388	M388-H393 HydrophobicContact CG-CB 3.88Å; M388-H393 WeakPolarHBondContact O-CB 3.19Å; M388-H393 PolarHBondContact O-CD2 3.43Å; M388-H393 PolarHBondContact O-N 3Å; M388-H393 VanDerWaalsContact O-N 3.1Å
394	V	98.6	Very high	98.4	Very high	2 Å²	2	27.7 Å²	27.7	1%	0.012	16%	0.16	C	C	.	.			trans	-87.8	125.8	169.4	-178.8	0	0	0	0	107.6	Y318 N320 Q342 I389 L396 T435	Y318-V394 WeakPolarHBondContact O-CG1 3.44Å; N320-V394 HydrophobicContact CB-CG1 4.08Å; Q342-V394 HydrophobicContact CB-CG2 4.44Å; Q342-V394 HydrophobicContact CG-CG2 4.3Å; I389-V394 HydrophobicContact CG1-CG2 4.26Å; V394-L396 WeakPolarHBondContact CG1-O 3.41Å; V394-T435 WeakPolarHBondContact O-CB 3.29Å; V394-T435 VanDerWaalsContact O-CG2 3.23Å; V394-T435 WeakPolarHBondContact O-CG2 3.29Å; V394-T435 PolarHBondContact O-OG1 3.23Å
395	D	98.8	Very high	98.4	Very high	74 Å²	74	22.8 Å²	22.8	40%	0.396	14%	0.137	S	C	.	.	S	Bend	trans	-74.1	-42.3	-176.9	-58.2	-56.3	0	0	0	111.4	M317 Y318 K436	M317-D395 HydrophobicContact CE-CB 4.47Å; M317-D395 HydrophobicContact CG-CB 3.64Å; Y318-D395 PolarHBondContact N-OD2 2.94Å; Y318-D395 WeakPolarHBondContact O-CB 3.22Å; Y318-D395 PolarHBondContact O-N 2.9Å; D395-K436 WeakPolarHBondContact O-CB 3.41Å; D395-K436 PolarHBondContact O-N 3.35Å
396	L	98.7	Very high	98.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	123.7	-176.2	175.1	65.4	0	0	0	111.6	E312 F313 M317 Y318 A319 N320 V394 M398 K436 V438	E312-L396 HydrophobicContact CB-CD2 4.22Å; F313-L396 HydrophobicContact CD1-CD2 4.17Å; F313-L396 HydrophobicContact CE1-CD2 4.17Å; M317-L396 HydrophobicContact CE-CB 4.3Å; M317-L396 HydrophobicContact CG-CB 4.37Å; M317-L396 HydrophobicContact SD-CB 3.47Å; M317-L396 WeakPolarHBondContact SD-CB 3.34Å; M317-L396 HydrophobicContact SD-CD2 3.71Å; M317-L396 HydrophobicContact SD-CG 4.23Å; Y318-L396 PolarHBondContact O-N 2.96Å; Y318-L396 VanDerWaalsContact O-N 3.15Å; A319-L396 CarbonylContact C-O 3.47Å; A319-L396 WeakPolarHBondContact CA-O 3.5Å; A319-L396 HydrophobicContact CB-CB 4.18Å; A319-L396 HydrophobicContact CB-CD2 4.41Å; N320-L396 PolarHBondContact N-O 3.19Å; V394-L396 WeakPolarHBondContact CG1-O 3.41Å; L396-M398 HydrophobicContact CD2-CE 3.98Å; L396-K436 WeakPolarHBondContact CA-O 3.34Å; L396-K436 HydrophobicContact CD1-CB 4.45Å; L396-K436 HydrophobicContact CD1-CD 4.3Å; L396-K436 HydrophobicContact CD1-CG 4.41Å; L396-V438 HydrophobicContact CD1-CB 4.16Å; L396-V438 HydrophobicContact CD1-CG2 3.52Å
397	T	98.8	Very high	98.4	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	123.7	161.8	-64.2	0	0	0	0	108.2	N320 L399 L429 T435 K436 V437 V438	N320-T397 WeakPolarHBondContact O-CA 3.31Å; T397-L399 HydrophobicContact CG2-CD2 3.45Å; T397-L399 VanDerWaalsContact CG2-CD2 3.45Å; T397-L429 HydrophobicContact CG2-CB 3.77Å; T397-L429 HydrophobicContact CG2-CD2 4.28Å; T397-L429 HydrophobicContact CG2-CG 4.44Å; T397-L429 PolarHBondContact OG1-O 3.15Å; T397-L429 VanDerWaalsContact OG1-O 3.09Å; T397-T435 VanDerWaalsContact OG1-CG2 3.26Å; T397-T435 WeakPolarHBondContact OG1-CG2 3.05Å; T397-K436 PolarHBondContact N-O 3.47Å; T397-V437 WeakPolarHBondContact O-CA 3.32Å; T397-V438 PolarHBondContact O-N 2.97Å
398	M	98.6	Very high	98.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.2	174.7	-166.9	-170	-57.5	0	0	110.9	A309 E312 F313 N320 L321 G322 P326 L396 V438 T440	A309-M398 HydrophobicContact CB-CE 4.22Å; A309-M398 HydrophobicContact CB-SD 3.76Å; E312-M398 HydrophobicContact CB-CE 4.01Å; E312-M398 HydrophobicContact CG-CE 4.42Å; F313-M398 HydrophobicContact CZ-CE 4.33Å; N320-M398 PolarHBondContact O-N 2.96Å; L321-M398 HydrophobicContact CD2-CB 3.85Å; G322-M398 PolarHBondContact N-O 3.5Å; P326-M398 HydrophobicContact CB-CB 3.94Å; P326-M398 HydrophobicContact CB-CG 3.78Å; P326-M398 VanDerWaalsContact CB-O 3.27Å; P326-M398 WeakPolarHBondContact CB-O 3.34Å; P326-M398 HydrophobicContact CB-SD 3.88Å; P326-M398 HydrophobicContact CG-CG 4.13Å; P326-M398 WeakPolarHBondContact CG-O 3.46Å; L396-M398 HydrophobicContact CD2-CE 3.98Å; M398-V438 VanDerWaalsContact CA-O 3.28Å; M398-V438 WeakPolarHBondContact CA-O 3.25Å; M398-V438 HydrophobicContact CG-CB 4.23Å; M398-V438 HydrophobicContact CG-CG1 4.43Å; M398-T440 HydrophobicContact CG-CG2 3.78Å; M398-T440 HydrophobicContact SD-CG2 3.6Å
399	L	97.7	Very high	98.4	Very high	10 Å²	10	25.1 Å²	25.1	5%	0.052	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	161.7	-174.5	61.9	147.4	0	0	0	113.7	T397 L410 N412 V430 V437 V438 V439 T440	T397-L399 HydrophobicContact CG2-CD2 3.45Å; T397-L399 VanDerWaalsContact CG2-CD2 3.45Å; L399-L410 HydrophobicContact CD1-CD2 3.5Å; L399-L410 VanDerWaalsContact CD1-CD2 3.5Å; L399-N412 VanDerWaalsContact CD1-ND2 3.28Å; L399-N412 WeakPolarHBondContact CD1-ND2 3.38Å; L399-V430 HydrophobicContact CD1-CG1 4.26Å; L399-V430 HydrophobicContact CD2-CG1 3.89Å; L399-V437 HydrophobicContact CD2-CG1 3.81Å; L399-V438 PolarHBondContact N-O 3.36Å; L399-V438 VanDerWaalsContact N-O 3.07Å; L399-V439 WeakPolarHBondContact O-CA 3.46Å; L399-T440 PolarHBondContact O-N 2.69Å
400	G	96.7	Very high	98.4	Very high	32 Å²	32	25 Å²	25	33%	0.33	14%	0.137	S	C	.	.			trans	-78.1	158.2	169.9	0	0	0	0	0	113	N412	G400-N412 PolarHBondContact O-ND2 3.02Å
401	A	97.6	Very high	98.4	Very high	13 Å²	13	23.3 Å²	23.3	11%	0.107	13%	0.131	C	C	.	.			trans	-139.9	152.9	176.1	0	0	0	0	0	112.8	V404 L410 V439 M441 K451	A401-V404 HydrophobicContact CB-CG2 3.87Å; A401-L410 HydrophobicContact CB-CD1 3.4Å; A401-V439 HydrophobicContact CB-CG1 3.43Å; A401-V439 VanDerWaalsContact CB-CG1 3.43Å; A401-V439 HydrophobicContact CB-CG2 4.34Å; A401-M441 HydrophobicContact CB-SD 3.9Å; A401-K451 PolarHBondContact O-NZ 3.35Å
402	M	97.1	Very high	98.3	Very high	48 Å²	48	23.6 Å²	23.6	24%	0.236	13%	0.127	C	C	.	.	S	Bend	trans	-89.2	-42.8	166.6	-62.3	171.7	-163.7	0	0	110.6	A411 N412 I415 M419 K451 L458	M402-A411 WeakPolarHBondContact CB-O 3.41Å; M402-A411 PolarHBondContact N-O 3.46Å; M402-N412 VanDerWaalsContact CE-O 3.23Å; M402-N412 WeakPolarHBondContact CE-O 3.49Å; M402-I415 HydrophobicContact CE-CD1 4.46Å; M402-I415 HydrophobicContact CE-CG1 4.38Å; M402-I415 HydrophobicContact SD-CD1 3.88Å; M402-I415 HydrophobicContact SD-CG1 3.65Å; M402-M419 HydrophobicContact CE-CE 3.1Å; M402-M419 HydrophobicContact CE-SD 4.37Å; M402-M419 HydrophobicContact SD-CE 4.41Å; M402-K451 WeakPolarHBondContact O-CB 3.45Å; M402-K451 WeakPolarHBondContact O-CE 3.46Å; M402-K451 WeakPolarHBondContact O-CG 3.43Å; M402-L458 HydrophobicContact CB-CD1 3.7Å; M402-L458 HydrophobicContact CG-CD1 4.41Å; M402-L458 HydrophobicContact SD-CD1 3.85Å
403	Q	98.6	Very high	98.1	Very high	20 Å²	20	23.4 Å²	23.4	9%	0.093	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	150.2	176.2	-65.1	173.8	-19.1	0	0	111.2	A411 K451 M453 C456 T457 L458	Q403-A411 HydrophobicContact CB-CB 4.32Å; Q403-A411 PolarHBondContact N-O 2.84Å; Q403-A411 VanDerWaalsContact N-O 3.12Å; Q403-A411 PolarHBondContact O-N 3.4Å; Q403-K451 CarbonylContact C-O 3.51Å; Q403-K451 WeakPolarHBondContact CA-O 3.39Å; Q403-M453 HydrophobicContact CG-SD 4.27Å; Q403-C456 HydrophobicContact CB-CB 4.3Å; Q403-T457 PolarHBondContact NE2-OG1 2.97Å; Q403-T457 PolarHBondContact OE1-OG1 3.35Å; Q403-L458 HydrophobicContact CG-CD1 4.21Å
404	V	98.8	Very high	97.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	134.2	170.8	-174.3	0	0	0	0	109.2	A401 D409 L410 V439 M441 K451 I452 M453 V466 I469	A401-V404 HydrophobicContact CB-CG2 3.87Å; V404-D409 CarbonylContact C-O 3.57Å; V404-D409 VanDerWaalsContact CA-O 3.28Å; V404-D409 WeakPolarHBondContact CA-O 3.11Å; V404-L410 HydrophobicContact CG2-CD1 4.32Å; V404-V439 HydrophobicContact CG2-CB 4.35Å; V404-V439 HydrophobicContact CG2-CG1 3.95Å; V404-V439 HydrophobicContact CG2-CG2 4.14Å; V404-M441 HydrophobicContact CG2-SD 4.2Å; V404-K451 PolarHBondContact N-O 2.97Å; V404-I452 WeakPolarHBondContact O-CA 3.44Å; V404-M453 PolarHBondContact O-N 2.71Å; V404-V466 HydrophobicContact CG1-CB 4.3Å; V404-V466 HydrophobicContact CG1-CG1 4.33Å; V404-V466 HydrophobicContact CG1-CG2 4.1Å; V404-I469 HydrophobicContact CB-CD1 3.98Å; V404-I469 HydrophobicContact CG1-CD1 3.55Å; V404-I469 HydrophobicContact CG1-CG1 4.06Å
405	S	98.8	Very high	97.3	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	163.9	177.8	86.2	0	0	0	0	112.8	Y407 G408 D409 M453	S405-Y407 PolarHBondContact O-N 3.41Å; S405-Y407 VanDerWaalsContact O-N 3.11Å; S405-Y407 PolarHBondContact OG-N 3.05Å; S405-G408 PolarHBondContact O-N 3.07Å; S405-G408 PolarHBondContact OG-N 3.45Å; S405-D409 WeakPolarHBondContact CB-OD2 3.39Å; S405-D409 PolarHBondContact N-O 3.49Å; S405-D409 WeakPolarHBondContact OG-CB 3.49Å; S405-D409 PolarHBondContact OG-N 3.35Å; S405-D409 PolarHBondContact OG-OD2 3.06Å; S405-M453 CarbonylContact C-O 3.42Å; S405-M453 WeakPolarHBondContact CA-O 3.09Å
406	K	98.7	Very high	96.7	Very high	29 Å²	29	20.6 Å²	20.6	13%	0.126	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-35	176.3	177.7	172.4	178.6	172.1	0	113.7	M453 E454 G483 L484 C504	K406-M453 PolarHBondContact N-O 3.11Å; K406-E454 WeakPolarHBondContact CD-OE1 3.28Å; K406-E454 WeakPolarHBondContact CD-OE2 3.47Å; K406-E454 IonicContact NZ-OE1 3.88Å; K406-E454 IonicContact NZ-OE2 3.62Å; K406-G483 CarbonylContact O-C 3.53Å; K406-G483 WeakPolarHBondContact O-CA 3.41Å; K406-L484 WeakPolarHBondContact O-CD2 3.21Å; K406-L484 PolarHBondContact O-N 3.33Å; K406-C504 HydrophobicContact CB-CB 4.19Å; K406-C504 HydrophobicContact CD-CB 4.28Å
407	Y	98.7	Very high	95.9	Very high	74 Å²	74	24.1 Å²	24.1	29%	0.29	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	13.5	-176.9	-57.5	-76	0	0	0	113.1	S405 Q464 K481	S405-Y407 PolarHBondContact O-N 3.41Å; S405-Y407 VanDerWaalsContact O-N 3.11Å; S405-Y407 PolarHBondContact OG-N 3.05Å; Y407-Q464 WeakPolarHBondContact O-CA 3.44Å; Y407-K481 WeakPolarHBondContact CE1-O 3.4Å
408	G	98.5	Very high	95.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.186	C	C	.	.			trans	89.5	23.7	172.1	0	0	0	0	0	115.7	S405 Q464 C465 V466	S405-G408 PolarHBondContact O-N 3.07Å; S405-G408 PolarHBondContact OG-N 3.45Å; G408-Q464 CarbonylContact O-C 3.5Å; G408-Q464 WeakPolarHBondContact O-CA 3.5Å; G408-Q464 PolarHBondContact O-N 3.06Å; G408-C465 PolarHBondContact O-N 2.9Å; G408-V466 PolarHBondContact O-N 2.9Å
409	D	98.7	Very high	94.5	Very high	21 Å²	21	34.9 Å²	34.9	11%	0.112	20%	0.199	C	C	.	.			trans	-71.5	142.5	165.4	-46.8	-42.2	0	0	0	109.3	V404 S405 L460 G462 K463 Q464	V404-D409 CarbonylContact C-O 3.57Å; V404-D409 VanDerWaalsContact CA-O 3.28Å; V404-D409 WeakPolarHBondContact CA-O 3.11Å; S405-D409 WeakPolarHBondContact CB-OD2 3.39Å; S405-D409 PolarHBondContact N-O 3.49Å; S405-D409 WeakPolarHBondContact OG-CB 3.49Å; S405-D409 PolarHBondContact OG-N 3.35Å; S405-D409 PolarHBondContact OG-OD2 3.06Å; D409-L460 HydrophobicContact CB-CD1 4.15Å; D409-L460 HydrophobicContact CB-CD2 3.88Å; D409-G462 WeakPolarHBondContact CA-O 3.49Å; D409-K463 WeakPolarHBondContact OD1-CA 3.3Å; D409-K463 WeakPolarHBondContact OD1-CG 3.44Å; D409-Q464 PolarHBondContact OD1-N 2.62Å
410	L	98.7	Very high	93.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.5	-175.8	173.1	67.3	0	0	0	110.6	L399 A401 V404 V430 V439 L460 T461 G462 V466	L399-L410 HydrophobicContact CD1-CD2 3.5Å; L399-L410 VanDerWaalsContact CD1-CD2 3.5Å; A401-L410 HydrophobicContact CB-CD1 3.4Å; V404-L410 HydrophobicContact CG2-CD1 4.32Å; L410-V430 HydrophobicContact CD2-CG1 3.9Å; L410-V439 HydrophobicContact CD1-CG2 3.99Å; L410-L460 CarbonylContact O-C 3.58Å; L410-L460 WeakPolarHBondContact O-CA 3.37Å; L410-T461 HydrophobicContact CD2-CG2 4.13Å; L410-T461 WeakPolarHBondContact O-CB 3.38Å; L410-T461 PolarHBondContact O-N 2.76Å; L410-T461 PolarHBondContact O-OG1 3Å; L410-G462 PolarHBondContact N-O 3.05Å; L410-V466 HydrophobicContact CB-CG2 4.01Å; L410-V466 HydrophobicContact CD1-CG2 4.46Å
411	A	98.4	Very high	93.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	119.9	167.1	0	0	0	0	0	111.1	M402 Q403 C456 L458 P459	M402-A411 WeakPolarHBondContact CB-O 3.41Å; M402-A411 PolarHBondContact N-O 3.46Å; Q403-A411 HydrophobicContact CB-CB 4.32Å; Q403-A411 PolarHBondContact N-O 2.84Å; Q403-A411 VanDerWaalsContact N-O 3.12Å; Q403-A411 PolarHBondContact O-N 3.4Å; A411-C456 HydrophobicContact CB-CB 4.21Å; A411-L458 HydrophobicContact CB-CB 3.78Å; A411-P459 WeakPolarHBondContact CB-O 3.48Å
412	N	96.1	Very high	93.2	Very high	34 Å²	34	34.8 Å²	34.8	18%	0.182	19%	0.188	C	C	.	.			trans	-147.8	1	-178.7	77.8	-10.8	0	0	0	116.5	L399 G400 M402 T461	L399-N412 VanDerWaalsContact CD1-ND2 3.28Å; L399-N412 WeakPolarHBondContact CD1-ND2 3.38Å; G400-N412 PolarHBondContact O-ND2 3.02Å; M402-N412 VanDerWaalsContact CE-O 3.23Å; M402-N412 WeakPolarHBondContact CE-O 3.49Å; N412-T461 PolarHBondContact N-OG1 2.99Å; N412-T461 VanDerWaalsContact N-OG1 3.08Å; N412-T461 VanDerWaalsContact OD1-CG2 3.3Å; N412-T461 WeakPolarHBondContact OD1-CG2 3.35Å; N412-T461 PolarHBondContact OD1-OG1 2.95Å
413	W	94.5	Very high	93.1	Very high	8 Å²	8	32.9 Å²	32.9	3%	0.03	18%	0.178	C	C	.	.	S	Bend	trans	-113.4	-21.7	-166.9	72.7	-87.2	0	0	0	115.6	L135 L164 M423 M427 P459 L460	L135-W413 HydrophobicContact CD1-CZ3 3.9Å; L164-W413 HydrophobicContact CD1-CH2 4.48Å; L164-W413 HydrophobicContact CD1-CZ2 4.2Å; W413-M423 HydrophobicContact CB-CB 3.9Å; W413-M423 HydrophobicContact CD2-CB 4.12Å; W413-M423 HydrophobicContact CD2-CE 4.35Å; W413-M423 HydrophobicContact CE3-CB 4.26Å; W413-M423 HydrophobicContact CE3-CE 4.04Å; W413-M423 HydrophobicContact CG-CB 3.98Å; W413-M423 HydrophobicContact CH2-CE 3.96Å; W413-M423 HydrophobicContact CZ2-CE 4.28Å; W413-M423 HydrophobicContact CZ3-CE 3.83Å; W413-M427 HydrophobicContact CD2-CE 4.48Å; W413-M427 HydrophobicContact CZ2-CE 4.26Å; W413-P459 HydrophobicContact CZ2-CB 4.03Å; W413-P459 PolarHBondContact NE1-O 2.79Å; W413-L460 PolarHBondContact NE1-O 3.3Å
414	M	90.5	Very high	93	Very high	6 Å²	6	32.2 Å²	32.2	3%	0.03	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	139	-175.7	-178.9	-173.6	-86.8	0	0	111.7	L135 L164 P416 M419 V420 P459	L135-M414 HydrophobicContact CD1-CE 4.42Å; L164-M414 HydrophobicContact CD1-SD 4.45Å; M414-P416 HydrophobicContact SD-CG 4.42Å; M414-M419 WeakPolarHBondContact CA-O 3.45Å; M414-V420 HydrophobicContact CE-CG1 3.53Å; M414-V420 HydrophobicContact CG-CG2 4.46Å; M414-P459 HydrophobicContact CB-CB 4.5Å; M414-P459 HydrophobicContact CB-CG 4.33Å; M414-P459 HydrophobicContact CG-CG 4.33Å; M414-P459 HydrophobicContact SD-CG 3.95Å
415	I	91.3	Very high	93	Very high	56 Å²	56	32.3 Å²	32.3	29%	0.287	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	106.1	161.1	-56.5	175.7	0	0	0	106.4	M402 G417 K418 M419 L458	M402-I415 HydrophobicContact CE-CD1 4.46Å; M402-I415 HydrophobicContact CE-CG1 4.38Å; M402-I415 HydrophobicContact SD-CD1 3.88Å; M402-I415 HydrophobicContact SD-CG1 3.65Å; I415-G417 PolarHBondContact O-N 2.8Å; I415-K418 HydrophobicContact CB-CB 4.22Å; I415-K418 HydrophobicContact CG2-CB 3.89Å; I415-K418 HydrophobicContact CG2-CD 4.09Å; I415-K418 HydrophobicContact CG2-CG 4.28Å; I415-K418 PolarHBondContact O-N 2.84Å; I415-M419 HydrophobicContact CB-CB 4.21Å; I415-M419 HydrophobicContact CG1-CB 4.5Å; I415-M419 PolarHBondContact N-O 3.15Å; I415-M419 PolarHBondContact O-N 2.76Å; I415-L458 HydrophobicContact CG1-CD1 4.31Å; I415-L458 HydrophobicContact CG1-CD2 4.31Å; I415-L458 HydrophobicContact CG2-CD2 4.25Å
416	P	85.8	Confident	92.9	Very high	80 Å²	80	33 Å²	33	52%	0.519	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	129.1	-177.6	-30	36.1	0	0	0	112.5	M414 K418 P459	M414-P416 HydrophobicContact SD-CG 4.42Å; P416-K418 PolarHBondContact O-N 2.76Å; P416-P459 HydrophobicContact CG-CG 3.91Å
417	G	82	Confident	92.9	Very high	74 Å²	74	31.7 Å²	31.7	76%	0.763	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.4	1.3	-179.9	0	0	0	0	0	116.1	I415	I415-G417 PolarHBondContact O-N 2.8Å
418	K	84.1	Confident	92.9	Very high	174 Å²	174	28.1 Å²	28.1	76%	0.757	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.2	-43.9	179.3	-65	-173	179.9	179.2	0	114.1	I415 P416	I415-K418 HydrophobicContact CB-CB 4.22Å; I415-K418 HydrophobicContact CG2-CB 3.89Å; I415-K418 HydrophobicContact CG2-CD 4.09Å; I415-K418 HydrophobicContact CG2-CG 4.28Å; I415-K418 PolarHBondContact O-N 2.84Å; P416-K418 PolarHBondContact O-N 2.76Å
419	M	83.8	Confident	92.9	Very high	54 Å²	54	28.7 Å²	28.7	27%	0.266	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	110.3	-175.9	-166.5	-171	72.4	0	0	109.7	M402 M414 I415 K421	M402-M419 HydrophobicContact CE-CE 3.1Å; M402-M419 HydrophobicContact CE-SD 4.37Å; M402-M419 HydrophobicContact SD-CE 4.41Å; M414-M419 WeakPolarHBondContact CA-O 3.45Å; I415-M419 HydrophobicContact CB-CB 4.21Å; I415-M419 HydrophobicContact CG1-CB 4.5Å; I415-M419 PolarHBondContact N-O 3.15Å; I415-M419 PolarHBondContact O-N 2.76Å; M419-K421 HydrophobicContact CG-CG 4.13Å
420	V	85.4	Confident	92.9	Very high	4 Å²	4	28 Å²	28	2%	0.024	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	65.4	-178.9	-166.6	0	0	0	0	109.5	Y126 L135 M414	Y126-V420 HydrophobicContact CE1-CB 4.28Å; Y126-V420 HydrophobicContact CE1-CG1 3.64Å; L135-V420 HydrophobicContact CD1-CG1 3.96Å; M414-V420 HydrophobicContact CE-CG1 3.53Å; M414-V420 HydrophobicContact CG-CG2 4.46Å
421	K	88	Confident	92.9	Very high	46 Å²	46	28.8 Å²	28.8	20%	0.2	17%	0.169	C	C	.	.			trans	-85.5	-15.3	-178.7	-67.6	-161.9	172	-160.8	0	113.8	Y115 V116 E118 M419	Y115-K421 CarbonylContact C-O 3.54Å; Y115-K421 VanDerWaalsContact CA-O 3.32Å; Y115-K421 WeakPolarHBondContact CA-O 3.37Å; Y115-K421 HydrophobicContact CD2-CB 4.27Å; Y115-K421 WeakPolarHBondContact CD2-O 3.4Å; Y115-K421 HydrophobicContact CE2-CB 3.59Å; Y115-K421 WeakPolarHBondContact OH-CD 3.4Å; V116-K421 PolarHBondContact N-O 2.58Å; E118-K421 IonicContact OE1-NZ 3.72Å; E118-K421 PolarHBondContact OE1-NZ 3.41Å; M419-K421 HydrophobicContact CG-CG 4.13Å
422	G	90.6	Very high	92.8	Very high	3 Å²	3	29.5 Å²	29.5	3%	0.031	17%	0.174	C	C	.	.			trans	92.1	165.7	-172	0	0	0	0	0	113.1	S114 Y115	S114-G422 CarbonylContact O-C 3.33Å; Y115-G422 WeakPolarHBondContact CD2-O 3.47Å
423	M	96.1	Very high	92.8	Very high	7 Å²	7	31.2 Å²	31.2	3%	0.034	19%	0.193	C	C	.	.			trans	-87.3	-16	-173.3	63.8	-74.7	-69.9	0	0	114.7	S114 L135 P137 V165 W413 G425 A426 M427	S114-M423 PolarHBondContact O-N 3.49Å; L135-M423 HydrophobicContact CB-CE 4.25Å; L135-M423 HydrophobicContact CB-SD 4.22Å; P137-M423 HydrophobicContact CB-CG 4.32Å; P137-M423 HydrophobicContact CG-CG 4.22Å; P137-M423 HydrophobicContact CG-SD 4.36Å; V165-M423 HydrophobicContact CG2-CE 3.84Å; W413-M423 HydrophobicContact CB-CB 3.9Å; W413-M423 HydrophobicContact CD2-CB 4.12Å; W413-M423 HydrophobicContact CD2-CE 4.35Å; W413-M423 HydrophobicContact CE3-CB 4.26Å; W413-M423 HydrophobicContact CE3-CE 4.04Å; W413-M423 HydrophobicContact CG-CB 3.98Å; W413-M423 HydrophobicContact CH2-CE 3.96Å; W413-M423 HydrophobicContact CZ2-CE 4.28Å; W413-M423 HydrophobicContact CZ3-CE 3.83Å; M423-G425 PolarHBondContact O-N 2.87Å; M423-A426 WeakPolarHBondContact O-CB 3.43Å; M423-A426 PolarHBondContact O-N 2.94Å; M423-M427 HydrophobicContact CB-CE 4.16Å; M423-M427 HydrophobicContact CB-CG 3.94Å; M423-M427 HydrophobicContact CB-SD 4.35Å; M423-M427 HydrophobicContact CE-CE 3.66Å; M423-M427 HydrophobicContact CE-SD 4.04Å; M423-M427 HydrophobicContact CG-CE 4.24Å; M423-M427 HydrophobicContact CG-CG 3.88Å; M423-M427 HydrophobicContact CG-SD 3.94Å
424	G	96	Very high	92.9	Very high	7 Å²	7	38.6 Å²	38.6	7%	0.072	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.1	-137.1	-173.6	0	0	0	0	0	111.4	S114 Q138 A426	S114-G424 PolarHBondContact O-N 2.88Å; Q138-G424 WeakPolarHBondContact CB-O 3.1Å; Q138-G424 PolarHBondContact N-O 2.98Å; G424-A426 VanDerWaalsContact C-N 3.32Å
425	G	97.4	Very high	93.3	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.01	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-2.9	173.4	0	0	0	0	0	115.5	E344 M423 M427 D428 L429	E344-G425 PolarHBondContact OE1-N 3.07Å; M423-G425 PolarHBondContact O-N 2.87Å; G425-M427 VanDerWaalsContact C-N 3.34Å; G425-M427 PolarHBondContact O-N 2.8Å; G425-D428 PolarHBondContact O-N 2.78Å; G425-D428 VanDerWaalsContact O-N 3.09Å; G425-L429 WeakPolarHBondContact O-CG 3.28Å; G425-L429 PolarHBondContact O-N 2.93Å
426	A	97.8	Very high	93.7	Very high	14 Å²	14	38.6 Å²	38.6	12%	0.116	22%	0.223	C	C	.	.	H	α-helix	trans	-61.2	-37.6	-167.5	0	0	0	0	0	113.8	M423 G424 V430 T461	M423-A426 WeakPolarHBondContact O-CB 3.43Å; M423-A426 PolarHBondContact O-N 2.94Å; G424-A426 VanDerWaalsContact C-N 3.32Å; A426-V430 WeakPolarHBondContact O-CG2 3.34Å; A426-V430 PolarHBondContact O-N 2.91Å; A426-T461 HydrophobicContact CB-CG2 3.76Å
427	M	98.7	Very high	94.3	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	20%	0.199	C	C	.	.	H	α-helix	trans	-68	-37.6	177.8	-64.2	-167.7	169.6	0	0	112.2	P137 T159 T163 V165 W413 M423 G425 S431 T461	P137-M427 HydrophobicContact CB-CB 4.27Å; P137-M427 HydrophobicContact CG-CB 4.39Å; P137-M427 HydrophobicContact CG-SD 3.72Å; T159-M427 HydrophobicContact CG2-CB 3.73Å; T163-M427 HydrophobicContact CG2-CE 4.03Å; T163-M427 HydrophobicContact CG2-SD 4.38Å; V165-M427 HydrophobicContact CG2-CE 4.04Å; V165-M427 HydrophobicContact CG2-SD 3.76Å; W413-M427 HydrophobicContact CD2-CE 4.48Å; W413-M427 HydrophobicContact CZ2-CE 4.26Å; M423-M427 HydrophobicContact CB-CE 4.16Å; M423-M427 HydrophobicContact CB-CG 3.94Å; M423-M427 HydrophobicContact CB-SD 4.35Å; M423-M427 HydrophobicContact CE-CE 3.66Å; M423-M427 HydrophobicContact CE-SD 4.04Å; M423-M427 HydrophobicContact CG-CE 4.24Å; M423-M427 HydrophobicContact CG-CG 3.88Å; M423-M427 HydrophobicContact CG-SD 3.94Å; G425-M427 VanDerWaalsContact C-N 3.34Å; G425-M427 PolarHBondContact O-N 2.8Å; M427-S431 WeakPolarHBondContact O-CB 3.39Å; M427-S431 PolarHBondContact O-N 2.94Å; M427-T461 HydrophobicContact CG-CG2 4Å; M427-T461 VanDerWaalsContact CG-O 3.31Å; M427-T461 WeakPolarHBondContact CG-O 3.47Å
428	D	98.8	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-70	-41.8	178.1	-65.7	-88.5	0	0	0	111	G139 T159 F386 I389 R390 G425 V430 S431	G139-D428 WeakPolarHBondContact CA-OD1 3.47Å; G139-D428 WeakPolarHBondContact CA-OD2 3.37Å; G139-D428 PolarHBondContact N-OD2 2.79Å; T159-D428 HydrophobicContact CG2-CB 4.31Å; T159-D428 VanDerWaalsContact CG2-CG 3.46Å; T159-D428 WeakPolarHBondContact CG2-OD1 3.46Å; T159-D428 PolarHBondContact OG1-OD1 3.27Å; F386-D428 HydrophobicContact CD1-CB 3.49Å; F386-D428 VanDerWaalsContact CD1-CB 3.49Å; F386-D428 HydrophobicContact CE1-CB 3.64Å; I389-D428 HydrophobicContact CG2-CB 4.38Å; R390-D428 HydrophobicContact CG-CB 4.42Å; R390-D428 IonicContact NH1-OD1 3.75Å; R390-D428 PolarHBondContact NH1-OD1 2.93Å; G425-D428 PolarHBondContact O-N 2.78Å; G425-D428 VanDerWaalsContact O-N 3.09Å; D428-V430 PolarHBondContact O-N 2.85Å; D428-S431 WeakPolarHBondContact O-CB 3.38Å; D428-S431 PolarHBondContact O-N 2.93Å; D428-S431 VanDerWaalsContact O-N 3.11Å; D428-S431 PolarHBondContact O-OG 2.95Å
429	L	98.4	Very high	95.8	Very high	11 Å²	11	23 Å²	23	6%	0.058	13%	0.126	C	C	.	.	H	α-helix	trans	-60.8	-23.8	-178.8	-76.8	171	0	0	0	114.5	N320 I389 T397 G425	N320-L429 HydrophobicContact CB-CD2 3.81Å; N320-L429 WeakPolarHBondContact ND2-CD2 3.29Å; N320-L429 WeakPolarHBondContact OD1-CD2 3.47Å; I389-L429 HydrophobicContact CD1-CD2 3.81Å; I389-L429 HydrophobicContact CG1-CD2 4.11Å; I389-L429 HydrophobicContact CG2-CD2 3.88Å; I389-L429 HydrophobicContact CG2-CG 4.39Å; T397-L429 HydrophobicContact CG2-CB 3.77Å; T397-L429 HydrophobicContact CG2-CD2 4.28Å; T397-L429 HydrophobicContact CG2-CG 4.44Å; T397-L429 PolarHBondContact OG1-O 3.15Å; T397-L429 VanDerWaalsContact OG1-O 3.09Å; G425-L429 WeakPolarHBondContact O-CG 3.28Å; G425-L429 PolarHBondContact O-N 2.93Å
430	V	98.6	Very high	96.5	Very high	8 Å²	8	20.7 Å²	20.7	5%	0.048	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.6	8.2	179.5	-54	0	0	0	0	113.3	L399 L410 A426 D428 V437 C465	L399-V430 HydrophobicContact CD1-CG1 4.26Å; L399-V430 HydrophobicContact CD2-CG1 3.89Å; L410-V430 HydrophobicContact CD2-CG1 3.9Å; A426-V430 WeakPolarHBondContact O-CG2 3.34Å; A426-V430 PolarHBondContact O-N 2.91Å; D428-V430 PolarHBondContact O-N 2.85Å; V430-V437 HydrophobicContact CB-CG1 4.49Å; V430-V437 HydrophobicContact CB-CG2 4.24Å; V430-V437 HydrophobicContact CG1-CG1 3.81Å; V430-V437 HydrophobicContact CG1-CG2 4.21Å; V430-C465 HydrophobicContact CB-CB 3.94Å; V430-C465 HydrophobicContact CG2-CB 4.22Å; V430-C465 VanDerWaalsContact O-CB 3.27Å; V430-C465 WeakPolarHBondContact O-CB 3.37Å
431	S	98.3	Very high	97.1	Very high	16 Å²	16	20.8 Å²	20.8	11%	0.112	12%	0.115	C	C	.	.			trans	-84.6	-25.3	-172.1	69.8	0	0	0	0	114.3	Q195 M427 D428	Q195-S431 PolarHBondContact NE2-O 3.34Å; M427-S431 WeakPolarHBondContact O-CB 3.39Å; M427-S431 PolarHBondContact O-N 2.94Å; D428-S431 WeakPolarHBondContact O-CB 3.38Å; D428-S431 PolarHBondContact O-N 2.93Å; D428-S431 VanDerWaalsContact O-N 3.11Å; D428-S431 PolarHBondContact O-OG 2.95Å
432	S	97.4	Very high	97.6	Very high	15 Å²	15	22.3 Å²	22.3	11%	0.105	12%	0.123	C	C	.	.			trans	-89.6	128.7	-177	-175.9	0	0	0	0	111.5	G392 K434 T435	G392-S432 WeakPolarHBondContact CA-OG 3.46Å; S432-K434 PolarHBondContact O-N 3.46Å; S432-K434 PolarHBondContact OG-N 2.99Å; S432-T435 PolarHBondContact O-N 2.91Å
433	A	95.1	Very high	98	Very high	69 Å²	69	22.2 Å²	22.2	57%	0.57	12%	0.122	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-13.5	174.8	0	0	0	0	0	113.9
434	K	97.9	Very high	98	Very high	164 Å²	164	22.7 Å²	22.7	71%	0.713	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-27.6	179.1	-62.4	179.1	-175.4	170.1	0	112.7	S432	S432-K434 PolarHBondContact O-N 3.46Å; S432-K434 PolarHBondContact OG-N 2.99Å
435	T	98.7	Very high	98	Very high	5 Å²	5	24.7 Å²	24.7	3%	0.031	14%	0.142	C	C	.	.	S	Bend	trans	-83.5	129.9	-179.1	-59.9	0	0	0	0	109.6	V394 T397 S432 V437	V394-T435 WeakPolarHBondContact O-CB 3.29Å; V394-T435 VanDerWaalsContact O-CG2 3.23Å; V394-T435 WeakPolarHBondContact O-CG2 3.29Å; V394-T435 PolarHBondContact O-OG1 3.23Å; T397-T435 VanDerWaalsContact OG1-CG2 3.26Å; T397-T435 WeakPolarHBondContact OG1-CG2 3.05Å; S432-T435 PolarHBondContact O-N 2.91Å; T435-V437 PolarHBondContact O-N 3.02Å
436	K	98.8	Very high	97.7	Very high	57 Å²	57	34.8 Å²	34.8	25%	0.248	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	119.8	172.4	-174.5	-173.3	-175.3	-172.3	0	108.9	E312 D395 L396 T397 V438 N467	E312-K436 WeakPolarHBondContact OE2-CE 3.48Å; E312-K436 IonicContact OE2-NZ 3.34Å; E312-K436 PolarHBondContact OE2-NZ 2.82Å; D395-K436 WeakPolarHBondContact O-CB 3.41Å; D395-K436 PolarHBondContact O-N 3.35Å; L396-K436 WeakPolarHBondContact CA-O 3.34Å; L396-K436 HydrophobicContact CD1-CB 4.45Å; L396-K436 HydrophobicContact CD1-CD 4.3Å; L396-K436 HydrophobicContact CD1-CG 4.41Å; T397-K436 PolarHBondContact N-O 3.47Å; K436-V438 HydrophobicContact CD-CG2 4.29Å; K436-V438 HydrophobicContact CG-CG2 4.17Å; K436-N467 WeakPolarHBondContact CA-OD1 3.25Å; K436-N467 HydrophobicContact CG-CB 4.28Å
437	V	98.8	Very high	97.5	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.006	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	115.6	177.7	-179.3	0	0	0	0	110.2	T397 L399 V430 T435 C465 V466 N467 R468	T397-V437 WeakPolarHBondContact O-CA 3.32Å; L399-V437 HydrophobicContact CD2-CG1 3.81Å; V430-V437 HydrophobicContact CB-CG1 4.49Å; V430-V437 HydrophobicContact CB-CG2 4.24Å; V430-V437 HydrophobicContact CG1-CG1 3.81Å; V430-V437 HydrophobicContact CG1-CG2 4.21Å; T435-V437 PolarHBondContact O-N 3.02Å; V437-C465 WeakPolarHBondContact CB-O 3.31Å; V437-V466 HydrophobicContact CG1-CG2 4.46Å; V437-N467 PolarHBondContact N-OD1 3.02Å; V437-N467 PolarHBondContact O-N 3.07Å; V437-R468 PolarHBondContact O-N 2.93Å
438	V	98.9	Very high	97.2	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	124.5	177.4	-176.5	0	0	0	0	109.9	E312 L396 T397 M398 L399 K436 R468 I470	E312-V438 HydrophobicContact CG-CG1 4.4Å; L396-V438 HydrophobicContact CD1-CB 4.16Å; L396-V438 HydrophobicContact CD1-CG2 3.52Å; T397-V438 PolarHBondContact O-N 2.97Å; M398-V438 VanDerWaalsContact CA-O 3.28Å; M398-V438 WeakPolarHBondContact CA-O 3.25Å; M398-V438 HydrophobicContact CG-CB 4.23Å; M398-V438 HydrophobicContact CG-CG1 4.43Å; L399-V438 PolarHBondContact N-O 3.36Å; L399-V438 VanDerWaalsContact N-O 3.07Å; K436-V438 HydrophobicContact CD-CG2 4.29Å; K436-V438 HydrophobicContact CG-CG2 4.17Å; V438-R468 WeakPolarHBondContact CA-O 3.38Å; V438-R468 HydrophobicContact CG1-CB 4.33Å; V438-R468 HydrophobicContact CG1-CG 4.33Å; V438-R468 HydrophobicContact CG2-CB 4.22Å; V438-I470 HydrophobicContact CG1-CD1 3.68Å; V438-I470 HydrophobicContact CG1-CG1 3.98Å
439	V	98.8	Very high	97.1	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	128	174.2	170.9	0	0	0	0	109.8	L399 A401 V404 L410 M441 V466 R468 I470	L399-V439 WeakPolarHBondContact O-CA 3.46Å; A401-V439 HydrophobicContact CB-CG1 3.43Å; A401-V439 VanDerWaalsContact CB-CG1 3.43Å; A401-V439 HydrophobicContact CB-CG2 4.34Å; V404-V439 HydrophobicContact CG2-CB 4.35Å; V404-V439 HydrophobicContact CG2-CG1 3.95Å; V404-V439 HydrophobicContact CG2-CG2 4.14Å; L410-V439 HydrophobicContact CD1-CG2 3.99Å; V439-M441 HydrophobicContact CG1-CB 4.24Å; V439-M441 HydrophobicContact CG1-CG 3.97Å; V439-M441 HydrophobicContact CG1-SD 4Å; V439-V466 HydrophobicContact CB-CG1 4.36Å; V439-V466 HydrophobicContact CG2-CB 4.45Å; V439-V466 HydrophobicContact CG2-CG1 3.83Å; V439-V466 HydrophobicContact CG2-CG2 3.7Å; V439-R468 PolarHBondContact N-O 2.9Å; V439-I470 PolarHBondContact O-N 3.34Å
440	T	98.6	Very high	97.1	Very high	4 Å²	4	47 Å²	47	3%	0.025	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	116.8	170.6	58.1	0	0	0	0	110	I305 A309 I325 P326 M398 L399 I470	I305-T440 HydrophobicContact CG2-CG2 4.24Å; A309-T440 HydrophobicContact CB-CG2 3.71Å; I325-T440 HydrophobicContact CG2-CG2 4.08Å; P326-T440 WeakPolarHBondContact CD-OG1 3.39Å; P326-T440 WeakPolarHBondContact CG-OG1 3.21Å; M398-T440 HydrophobicContact CG-CG2 3.78Å; M398-T440 HydrophobicContact SD-CG2 3.6Å; L399-T440 PolarHBondContact O-N 2.69Å; T440-I470 WeakPolarHBondContact CA-O 3.42Å; T440-I470 HydrophobicContact CG2-CB 4.41Å
441	M	98.3	Very high	97.1	Very high	6 Å²	6	48.1 Å²	48.1	3%	0.03	28%	0.276	C	S	.	.			trans	-157.2	155.5	-177	70.1	175.1	-142.3	0	0	112.7	A401 V404 V439 K451 I452 I470 T471	A401-M441 HydrophobicContact CB-SD 3.9Å; V404-M441 HydrophobicContact CG2-SD 4.2Å; V439-M441 HydrophobicContact CG1-CB 4.24Å; V439-M441 HydrophobicContact CG1-CG 3.97Å; V439-M441 HydrophobicContact CG1-SD 4Å; M441-K451 HydrophobicContact CE-CB 3.37Å; M441-K451 HydrophobicContact CE-CD 4.37Å; M441-K451 HydrophobicContact CE-CG 4.49Å; M441-K451 HydrophobicContact SD-CB 4.44Å; M441-I452 HydrophobicContact CE-CD1 4.29Å; M441-I452 HydrophobicContact CE-CG1 3.54Å; M441-I470 PolarHBondContact N-O 2.97Å; M441-T471 HydrophobicContact CG-CG2 4.36Å; M441-T471 VanDerWaalsContact O-CA 3.23Å; M441-T471 WeakPolarHBondContact O-CA 3.38Å; M441-T471 WeakPolarHBondContact O-CB 3.32Å; M441-T471 WeakPolarHBondContact O-CG2 3.32Å
442	E	97.7	Very high	97.2	Very high	79 Å²	79	47.3 Å²	47.3	37%	0.369	27%	0.271	S	S	.	.			trans	-60.8	139.6	164.3	-67.4	175.6	-160.6	0	0	110.1	V301 R302 I305 S444 K451 E472	V301-E442 HydrophobicContact CG1-CG 4.01Å; R302-E442 IonicContact NE-OE1 2.62Å; I305-E442 HydrophobicContact CD1-CG 4.34Å; E442-S444 PolarHBondContact O-N 3.19Å; E442-K451 WeakPolarHBondContact O-CD 3.27Å; E442-K451 PolarHBondContact O-NZ 3.23Å; E442-E472 WeakPolarHBondContact CA-OE2 3.32Å
443	H	98.5	Very high	97.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	27%	0.272	C	S	.	.	S	Bend	trans	-64.2	-37.5	-168.4	-163.1	100.1	0	0	0	113.3	T471 E472 K473 F476 S501 T502	H443-T471 HydrophobicContact CB-CG2 4.07Å; H443-T471 PolarHBondContact ND1-OG1 2.88Å; H443-E472 VanDerWaalsContact CB-OE1 3.3Å; H443-E472 WeakPolarHBondContact CB-OE1 3.39Å; H443-E472 WeakPolarHBondContact CB-OE2 3.36Å; H443-E472 PolarHBondContact N-OE2 3.01Å; H443-K473 HydrophobicContact CB-CD 4.14Å; H443-K473 HydrophobicContact CB-CG 4.18Å; H443-F476 AromaticContact CE1-CE2 3.83Å; H443-S501 PolarHBondContact CD2-O 3.45Å; H443-S501 PolarHBondContact CD2-OG 3.02Å; H443-S501 PolarHBondContact NE2-OG 2.79Å; H443-T502 PolarHBondContact NE2-OG1 3.03Å; H443-T502 VanDerWaalsContact NE2-OG1 3.12Å
444	S	97.2	Very high	97.4	Very high	17 Å²	17	48.5 Å²	48.5	12%	0.119	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	155.8	-177.9	-52	0	0	0	0	110.9	E442 N448 A449 S501	E442-S444 PolarHBondContact O-N 3.19Å; S444-N448 PolarHBondContact OG-OD1 3.4Å; S444-A449 WeakPolarHBondContact CA-O 3.17Å; S444-S501 PolarHBondContact OG-O 3.41Å
445	A	94.5	Very high	97.4	Very high	50 Å²	50	48.4 Å²	48.4	41%	0.413	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	177.4	170.6	0	0	0	0	0	111.1	G447 N448 A449 K451	A445-G447 PolarHBondContact O-N 3.13Å; A445-N448 PolarHBondContact O-N 3.41Å; A445-N448 VanDerWaalsContact O-N 3.12Å; A445-A449 HydrophobicContact CB-CB 4.01Å; A445-A449 PolarHBondContact N-O 3.47Å; A445-A449 PolarHBondContact O-N 2.88Å; A445-K451 HydrophobicContact CB-CD 4.3Å; A445-K451 HydrophobicContact CB-CG 4.2Å
446	K	91.5	Very high	97.4	Very high	213 Å²	213	49.2 Å²	49.2	93%	0.926	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-51.3	133.5	175.4	-172.4	177.4	-178.5	178.8	0	110.8
447	G	93.8	Very high	97.3	Very high	78 Å²	78	51.8 Å²	51.8	80%	0.804	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	76.6	23.9	-177.9	0	0	0	0	0	114.3	A445 A449	A445-G447 PolarHBondContact O-N 3.13Å; G447-A449 PolarHBondContact O-N 3.14Å
448	N	93.5	Very high	97.2	Very high	80 Å²	80	53.2 Å²	53.2	43%	0.428	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	60	25.3	-178.1	-161.1	52.7	0	0	0	113.7	S444 A445 H450 K500	S444-N448 PolarHBondContact OG-OD1 3.4Å; A445-N448 PolarHBondContact O-N 3.41Å; A445-N448 VanDerWaalsContact O-N 3.12Å; N448-H450 PolarHBondContact O-N 2.84Å; N448-K500 PolarHBondContact ND2-O 3.41Å
449	A	96.7	Very high	97.1	Very high	51 Å²	51	54.3 Å²	54.3	42%	0.421	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	129.2	174.9	0	0	0	0	0	109.4	S444 A445 G447 K451	S444-A449 WeakPolarHBondContact CA-O 3.17Å; A445-A449 HydrophobicContact CB-CB 4.01Å; A445-A449 PolarHBondContact N-O 3.47Å; A445-A449 PolarHBondContact O-N 2.88Å; G447-A449 PolarHBondContact O-N 3.14Å; A449-K451 PolarHBondContact O-N 3.28Å
450	H	98.1	Very high	97.1	Very high	75 Å²	75	56 Å²	56	35%	0.347	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	135.2	-174.6	-58.9	151.7	0	0	0	111.4	N448 M453 K500 S501 G503	N448-H450 PolarHBondContact O-N 2.84Å; H450-M453 HydrophobicContact CB-CE 4.17Å; H450-M453 WeakPolarHBondContact O-CE 3.45Å; H450-K500 PolarHBondContact NE2-O 3.37Å; H450-S501 PolarHBondContact CD2-O 2.84Å; H450-G503 WeakPolarHBondContact ND1-CA 3.49Å
451	K	98.7	Very high	97.1	Very high	30 Å²	30	55.9 Å²	55.9	13%	0.13	31%	0.312	C	S	.	.	S	Bend	trans	-108.6	-28.1	169.2	-66.7	175.9	62.8	-165.8	0	111.8	A401 M402 Q403 V404 M441 E442 A445 A449	A401-K451 PolarHBondContact O-NZ 3.35Å; M402-K451 WeakPolarHBondContact O-CB 3.45Å; M402-K451 WeakPolarHBondContact O-CE 3.46Å; M402-K451 WeakPolarHBondContact O-CG 3.43Å; Q403-K451 CarbonylContact C-O 3.51Å; Q403-K451 WeakPolarHBondContact CA-O 3.39Å; V404-K451 PolarHBondContact N-O 2.97Å; M441-K451 HydrophobicContact CE-CB 3.37Å; M441-K451 HydrophobicContact CE-CD 4.37Å; M441-K451 HydrophobicContact CE-CG 4.49Å; M441-K451 HydrophobicContact SD-CB 4.44Å; E442-K451 WeakPolarHBondContact O-CD 3.27Å; E442-K451 PolarHBondContact O-NZ 3.23Å; A445-K451 HydrophobicContact CB-CD 4.3Å; A445-K451 HydrophobicContact CB-CG 4.2Å; A449-K451 PolarHBondContact O-N 3.28Å
452	I	98.8	Very high	97.1	Very high	0 Å²	0	56 Å²	56	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	122.4	167.6	-52.5	176.8	0	0	0	106.9	V404 M441 I469 T471 F476 L484 T502 G503	V404-I452 WeakPolarHBondContact O-CA 3.44Å; M441-I452 HydrophobicContact CE-CD1 4.29Å; M441-I452 HydrophobicContact CE-CG1 3.54Å; I452-I469 HydrophobicContact CD1-CD1 4.4Å; I452-I469 HydrophobicContact CD1-CG2 4.05Å; I452-I469 HydrophobicContact CG2-CD1 4.34Å; I452-T471 HydrophobicContact CD1-CG2 4.11Å; I452-F476 HydrophobicContact CD1-CD2 4.09Å; I452-F476 HydrophobicContact CD1-CE2 3.83Å; I452-L484 HydrophobicContact CG2-CD1 3.49Å; I452-L484 VanDerWaalsContact CG2-CD1 3.49Å; I452-T502 HydrophobicContact CB-CG2 4.06Å; I452-T502 HydrophobicContact CG2-CG2 3.78Å; I452-G503 WeakPolarHBondContact O-CA 3.46Å; I452-G503 PolarHBondContact O-N 3.19Å
453	M	98.6	Very high	97.1	Very high	27 Å²	27	57 Å²	57	13%	0.133	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	171.8	-168.6	53.7	-179.5	42.4	0	0	113.8	Q403 V404 S405 K406 H450 K455 T457	Q403-M453 HydrophobicContact CG-SD 4.27Å; V404-M453 PolarHBondContact O-N 2.71Å; S405-M453 CarbonylContact C-O 3.42Å; S405-M453 WeakPolarHBondContact CA-O 3.09Å; K406-M453 PolarHBondContact N-O 3.11Å; H450-M453 HydrophobicContact CB-CE 4.17Å; H450-M453 WeakPolarHBondContact O-CE 3.45Å; M453-K455 WeakPolarHBondContact CG-O 3.35Å; M453-K455 PolarHBondContact O-N 3.35Å; M453-T457 HydrophobicContact SD-CG2 4.22Å
454	E	98.4	Very high	97.1	Very high	82 Å²	82	60.6 Å²	60.6	38%	0.383	33%	0.334	S	S	.	.	S	Bend	trans	-62	-44.9	-177.5	-167.2	65.7	-160.7	0	0	112.2	K406 G503 C504	K406-E454 WeakPolarHBondContact CD-OE1 3.28Å; K406-E454 WeakPolarHBondContact CD-OE2 3.47Å; K406-E454 IonicContact NZ-OE1 3.88Å; K406-E454 IonicContact NZ-OE2 3.62Å; E454-G503 PolarHBondContact N-O 3.23Å; E454-C504 HydrophobicContact CB-CB 4.26Å; E454-C504 VanDerWaalsContact OE2-CB 3.24Å; E454-C504 WeakPolarHBondContact OE2-CB 3.47Å
455	K	98.4	Very high	97.2	Very high	161 Å²	161	60.3 Å²	60.3	70%	0.7	33%	0.332	S	S	*	.	S	Bend	trans	-141.7	140.9	173.5	-68.2	-174.2	178.7	179.1	0	109.2	M453	M453-K455 WeakPolarHBondContact CG-O 3.35Å; M453-K455 PolarHBondContact O-N 3.35Å
456	C	98.3	Very high	97.4	Very high	22 Å²	22	58 Å²	58	15%	0.149	31%	0.313	C	S	.	.			trans	-61.7	143.6	173.4	-62.5	0	0	0	0	110.3	Q403 A411 L460	Q403-C456 HydrophobicContact CB-CB 4.3Å; A411-C456 HydrophobicContact CB-CB 4.21Å; C456-L460 HydrophobicContact CB-CD2 3.6Å
457	T	97	Very high	97.7	Very high	111 Å²	111	50.6 Å²	50.6	68%	0.681	28%	0.283	S	S	*	.	S	Bend	trans	-98	-17.2	172.6	62.7	0	0	0	0	112.2	Q403 M453	Q403-T457 PolarHBondContact NE2-OG1 2.97Å; Q403-T457 PolarHBondContact OE1-OG1 3.35Å; M453-T457 HydrophobicContact SD-CG2 4.22Å
458	L	97	Very high	98	Very high	32 Å²	32	49 Å²	49	17%	0.168	25%	0.253	C	S	.	.	S	Bend	trans	-88.8	155.2	173.7	-63.8	177.1	0	0	0	111.7	M402 Q403 A411 I415 L460	M402-L458 HydrophobicContact CB-CD1 3.7Å; M402-L458 HydrophobicContact CG-CD1 4.41Å; M402-L458 HydrophobicContact SD-CD1 3.85Å; Q403-L458 HydrophobicContact CG-CD1 4.21Å; A411-L458 HydrophobicContact CB-CB 3.78Å; I415-L458 HydrophobicContact CG1-CD1 4.31Å; I415-L458 HydrophobicContact CG1-CD2 4.31Å; I415-L458 HydrophobicContact CG2-CD2 4.25Å; L458-L460 PolarHBondContact O-N 2.72Å
459	P	97.1	Very high	98.2	Very high	23 Å²	23	45.2 Å²	45.2	15%	0.149	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-53.7	131.7	175.6	-27.5	36	0	0	0	112.9	L164 A411 W413 M414 P416	L164-P459 HydrophobicContact CD1-CB 3.94Å; L164-P459 HydrophobicContact CD1-CG 4.18Å; L164-P459 HydrophobicContact CG-CB 4.48Å; A411-P459 WeakPolarHBondContact CB-O 3.48Å; W413-P459 HydrophobicContact CZ2-CB 4.03Å; W413-P459 PolarHBondContact NE1-O 2.79Å; M414-P459 HydrophobicContact CB-CB 4.5Å; M414-P459 HydrophobicContact CB-CG 4.33Å; M414-P459 HydrophobicContact CG-CG 4.33Å; M414-P459 HydrophobicContact SD-CG 3.95Å; P416-P459 HydrophobicContact CG-CG 3.91Å
460	L	98.5	Very high	98.3	Very high	36 Å²	36	42.8 Å²	42.8	19%	0.188	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-71.4	150.1	-176.1	-61.1	-173.6	0	0	0	112.4	T163 D409 L410 W413 C456 L458	T163-L460 HydrophobicContact CG2-CB 4.33Å; T163-L460 WeakPolarHBondContact CG2-O 3.29Å; D409-L460 HydrophobicContact CB-CD1 4.15Å; D409-L460 HydrophobicContact CB-CD2 3.88Å; L410-L460 CarbonylContact O-C 3.58Å; L410-L460 WeakPolarHBondContact O-CA 3.37Å; W413-L460 PolarHBondContact NE1-O 3.3Å; C456-L460 HydrophobicContact CB-CD2 3.6Å; L458-L460 PolarHBondContact O-N 2.72Å
461	T	98.6	Very high	98.3	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	20%	0.196	C	C	.	.	S	Bend	trans	-98.1	-39.4	170.5	-40.1	0	0	0	0	109.6	L410 N412 A426 M427	L410-T461 HydrophobicContact CD2-CG2 4.13Å; L410-T461 WeakPolarHBondContact O-CB 3.38Å; L410-T461 PolarHBondContact O-N 2.76Å; L410-T461 PolarHBondContact O-OG1 3Å; N412-T461 PolarHBondContact N-OG1 2.99Å; N412-T461 VanDerWaalsContact N-OG1 3.08Å; N412-T461 VanDerWaalsContact OD1-CG2 3.3Å; N412-T461 WeakPolarHBondContact OD1-CG2 3.35Å; N412-T461 PolarHBondContact OD1-OG1 2.95Å; A426-T461 HydrophobicContact CB-CG2 3.76Å; M427-T461 HydrophobicContact CG-CG2 4Å; M427-T461 VanDerWaalsContact CG-O 3.31Å; M427-T461 WeakPolarHBondContact CG-O 3.47Å
462	G	98.3	Very high	98.3	Very high	7 Å²	7	38.8 Å²	38.8	7%	0.072	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-163.1	148.3	176.8	0	0	0	0	0	110.3	D409 L410	D409-G462 WeakPolarHBondContact CA-O 3.49Å; L410-G462 PolarHBondContact N-O 3.05Å
463	K	98.1	Very high	98.3	Very high	102 Å²	102	41 Å²	41	44%	0.443	20%	0.204	S	C	.	.	S	Bend	trans	-96.8	132.8	-179.9	-164.7	179.9	-176.9	176	0	109.9	D409 C465	D409-K463 WeakPolarHBondContact OD1-CA 3.3Å; D409-K463 WeakPolarHBondContact OD1-CG 3.44Å; K463-C465 PolarHBondContact O-N 3.11Å; K463-C465 VanDerWaalsContact O-N 3.16Å
464	Q	98.2	Very high	98.3	Very high	74 Å²	74	39.7 Å²	39.7	35%	0.346	20%	0.198	S	C	.	.	S	Bend	trans	44.8	47.8	177.5	-60.7	177.5	-15.5	0	0	113.8	Y407 G408 D409 K480	Y407-Q464 WeakPolarHBondContact O-CA 3.44Å; G408-Q464 CarbonylContact O-C 3.5Å; G408-Q464 WeakPolarHBondContact O-CA 3.5Å; G408-Q464 PolarHBondContact O-N 3.06Å; D409-Q464 PolarHBondContact OD1-N 2.62Å; Q464-K480 HydrophobicContact CB-CB 4.27Å; Q464-K480 HydrophobicContact CB-CD 4.07Å; Q464-K480 HydrophobicContact CB-CG 4.07Å; Q464-K480 WeakPolarHBondContact O-CD 3.27Å; Q464-K480 WeakPolarHBondContact O-CE 3.47Å; Q464-K480 PolarHBondContact O-NZ 2.74Å; Q464-K480 VanDerWaalsContact O-NZ 3.07Å
465	C	98.4	Very high	98.3	Very high	11 Å²	11	35.8 Å²	35.8	7%	0.074	18%	0.179	C	C	.	.			trans	-109.5	-28.2	-172.2	62.1	0	0	0	0	113.4	G408 V430 V437 K463	G408-C465 PolarHBondContact O-N 2.9Å; V430-C465 HydrophobicContact CB-CB 3.94Å; V430-C465 HydrophobicContact CG2-CB 4.22Å; V430-C465 VanDerWaalsContact O-CB 3.27Å; V430-C465 WeakPolarHBondContact O-CB 3.37Å; V437-C465 WeakPolarHBondContact CB-O 3.31Å; K463-C465 PolarHBondContact O-N 3.11Å; K463-C465 VanDerWaalsContact O-N 3.16Å
466	V	98.8	Very high	98.3	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	15%	0.146	C	C	.	.			trans	-74.7	133.6	-179.4	-178.6	0	0	0	0	110.5	V404 G408 L410 V437 V439 R468 I469 V478	V404-V466 HydrophobicContact CG1-CB 4.3Å; V404-V466 HydrophobicContact CG1-CG1 4.33Å; V404-V466 HydrophobicContact CG1-CG2 4.1Å; G408-V466 PolarHBondContact O-N 2.9Å; L410-V466 HydrophobicContact CB-CG2 4.01Å; L410-V466 HydrophobicContact CD1-CG2 4.46Å; V437-V466 HydrophobicContact CG1-CG2 4.46Å; V439-V466 HydrophobicContact CB-CG1 4.36Å; V439-V466 HydrophobicContact CG2-CB 4.45Å; V439-V466 HydrophobicContact CG2-CG1 3.83Å; V439-V466 HydrophobicContact CG2-CG2 3.7Å; V466-R468 WeakPolarHBondContact CG1-O 3.31Å; V466-I469 HydrophobicContact CG1-CG1 4Å; V466-V478 HydrophobicContact CG1-CG2 4.22Å; V466-V478 WeakPolarHBondContact O-CB 3.49Å
467	N	98.8	Very high	98.3	Very high	57 Å²	57	29.8 Å²	29.8	31%	0.305	15%	0.154	S	C	.	.			trans	-101.5	-31.8	175.3	-59.9	103	0	0	0	112.9	K436 V437 V478	K436-N467 WeakPolarHBondContact CA-OD1 3.25Å; K436-N467 HydrophobicContact CG-CB 4.28Å; V437-N467 PolarHBondContact N-OD1 3.02Å; V437-N467 PolarHBondContact O-N 3.07Å; N467-V478 PolarHBondContact O-N 3.36Å
468	R	98.9	Very high	98.4	Very high	44 Å²	44	25.1 Å²	25.1	17%	0.166	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	145.1	-179.5	177	170.8	-72.3	179.4	-3.5	111.7	E312 V437 V438 V439 V466 I470 V475 F476 D477	E312-R468 WeakPolarHBondContact OE1-CD 3.49Å; E312-R468 IonicContact OE1-CZ 3.82Å; E312-R468 IonicContact OE1-NE 2.7Å; E312-R468 IonicContact OE1-NH1 3.18Å; E312-R468 PolarHBondContact OE1-NH1 2.8Å; E312-R468 IonicContact OE2-NH1 2.85Å; E312-R468 PolarHBondContact OE2-NH1 3.28Å; V437-R468 PolarHBondContact O-N 2.93Å; V438-R468 WeakPolarHBondContact CA-O 3.38Å; V438-R468 HydrophobicContact CG1-CB 4.33Å; V438-R468 HydrophobicContact CG1-CG 4.33Å; V438-R468 HydrophobicContact CG2-CB 4.22Å; V439-R468 PolarHBondContact N-O 2.9Å; V466-R468 WeakPolarHBondContact CG1-O 3.31Å; R468-I470 HydrophobicContact CG-CG1 4.21Å; R468-V475 HydrophobicContact CG-CG1 3.83Å; R468-F476 CarbonylContact C-O 3.51Å; R468-F476 VanDerWaalsContact CA-O 3.25Å; R468-F476 WeakPolarHBondContact CA-O 3.33Å; R468-F476 WeakPolarHBondContact CG-O 3.48Å; R468-D477 IonicContact CZ-OD1 2.69Å; R468-D477 IonicContact NE-OD1 2.68Å; R468-D477 PolarHBondContact NE-OD1 3.37Å; R468-D477 IonicContact NH2-OD1 3.48Å; R468-D477 PolarHBondContact NH2-OD1 3.17Å; R468-D477 IonicContact NH2-OD2 3.75Å; R468-D477 PolarHBondContact NH2-OD2 3.32Å
469	I	98.9	Very high	98.5	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	124.5	174.9	-50.4	167.3	0	0	0	107.9	V404 I452 V466 T471 V475 F476 V478 L484	V404-I469 HydrophobicContact CB-CD1 3.98Å; V404-I469 HydrophobicContact CG1-CD1 3.55Å; V404-I469 HydrophobicContact CG1-CG1 4.06Å; I452-I469 HydrophobicContact CD1-CD1 4.4Å; I452-I469 HydrophobicContact CD1-CG2 4.05Å; I452-I469 HydrophobicContact CG2-CD1 4.34Å; V466-I469 HydrophobicContact CG1-CG1 4Å; I469-T471 HydrophobicContact CG2-CG2 3.95Å; I469-V475 VanDerWaalsContact O-CA 3.32Å; I469-V475 WeakPolarHBondContact O-CA 3.37Å; I469-F476 HydrophobicContact CB-CB 4.4Å; I469-F476 PolarHBondContact N-O 3.28Å; I469-F476 PolarHBondContact O-N 3.11Å; I469-V478 HydrophobicContact CD1-CG2 3.92Å; I469-V478 HydrophobicContact CG1-CG2 3.83Å; I469-L484 HydrophobicContact CD1-CD2 4.01Å
470	I	98.8	Very high	98.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	120.9	174.3	-57.6	175.3	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 3.91Å; R308-I470 HydrophobicContact CG-CD1 4.41Å; R308-I470 HydrophobicContact CG-CG2 3.62Å; A309-I470 HydrophobicContact CB-CD1 4.33Å; E312-I470 HydrophobicContact CG-CD1 3.73Å; V438-I470 HydrophobicContact CG1-CD1 3.68Å; V438-I470 HydrophobicContact CG1-CG1 3.98Å; V439-I470 PolarHBondContact O-N 3.34Å; T440-I470 WeakPolarHBondContact CA-O 3.42Å; T440-I470 HydrophobicContact CG2-CB 4.41Å; M441-I470 PolarHBondContact N-O 2.97Å; R468-I470 HydrophobicContact CG-CG1 4.21Å; I470-V475 HydrophobicContact CG1-CG1 4.14Å; I470-V475 HydrophobicContact CG1-CG2 4.41Å; I470-V475 HydrophobicContact CG2-CG2 4.41Å
471	T	98.7	Very high	98.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.175	C	C	.	.			trans	-122.3	175.5	174.6	68.6	0	0	0	0	109.9	M441 H443 I452 I469 K473 A474 M515	M441-T471 HydrophobicContact CG-CG2 4.36Å; M441-T471 VanDerWaalsContact O-CA 3.23Å; M441-T471 WeakPolarHBondContact O-CA 3.38Å; M441-T471 WeakPolarHBondContact O-CB 3.32Å; M441-T471 WeakPolarHBondContact O-CG2 3.32Å; H443-T471 HydrophobicContact CB-CG2 4.07Å; H443-T471 PolarHBondContact ND1-OG1 2.88Å; I452-T471 HydrophobicContact CD1-CG2 4.11Å; I469-T471 HydrophobicContact CG2-CG2 3.95Å; T471-K473 PolarHBondContact O-N 2.61Å; T471-K473 PolarHBondContact OG1-N 3.2Å; T471-A474 PolarHBondContact N-O 3.13Å; T471-A474 PolarHBondContact OG1-N 3.07Å; T471-A474 PolarHBondContact OG1-O 2.84Å; T471-M515 WeakPolarHBondContact O-CE 3.39Å
472	E	97.6	Very high	98.4	Very high	22 Å²	22	45.1 Å²	45.1	10%	0.103	21%	0.21	C	C	.	.	S	Bend	trans	-64.6	-29.9	173	77	-72.6	179.4	0	0	111.1	V301 R304 I305 E442 H443	V301-E472 HydrophobicContact CG1-CB 3.77Å; V301-E472 HydrophobicContact CG1-CG 3.83Å; R304-E472 PolarHBondContact NH2-O 3.43Å; I305-E472 HydrophobicContact CD1-CB 4.23Å; I305-E472 HydrophobicContact CG1-CB 4.01Å; E442-E472 WeakPolarHBondContact CA-OE2 3.32Å; H443-E472 VanDerWaalsContact CB-OE1 3.3Å; H443-E472 WeakPolarHBondContact CB-OE1 3.39Å; H443-E472 WeakPolarHBondContact CB-OE2 3.36Å; H443-E472 PolarHBondContact N-OE2 3.01Å
473	K	98.4	Very high	98.4	Very high	45 Å²	45	44.8 Å²	44.8	20%	0.196	21%	0.206	C	C	.	.	S	Bend	trans	-93.1	-37.5	-173.7	-58.5	-170.6	-175	-178.9	0	114.5	H443 T471 W490 L493 S501	H443-K473 HydrophobicContact CB-CD 4.14Å; H443-K473 HydrophobicContact CB-CG 4.18Å; T471-K473 PolarHBondContact O-N 2.61Å; T471-K473 PolarHBondContact OG1-N 3.2Å; K473-W490 WeakPolarHBondContact O-CB 3.34Å; K473-W490 PolarHBondContact O-N 2.78Å; K473-L493 HydrophobicContact CB-CD1 3.59Å; K473-L493 HydrophobicContact CD-CD1 4.07Å; K473-L493 HydrophobicContact CG-CD1 3.69Å; K473-S501 PolarHBondContact NZ-OG 2.95Å
474	A	98.6	Very high	98.4	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	154.1	-166.3	0	0	0	0	0	112.4	T471 F476 L486 E488 V498	T471-A474 PolarHBondContact N-O 3.13Å; T471-A474 PolarHBondContact OG1-N 3.07Å; T471-A474 PolarHBondContact OG1-O 2.84Å; A474-F476 HydrophobicContact CB-CD2 4.21Å; A474-F476 HydrophobicContact CB-CE2 3.61Å; A474-F476 HydrophobicContact CB-CZ 4.02Å; A474-L486 HydrophobicContact CB-CD1 3.49Å; A474-L486 VanDerWaalsContact CB-CD1 3.49Å; A474-E488 WeakPolarHBondContact CA-O 3.48Å; A474-V498 HydrophobicContact CB-CG1 4.16Å; A474-V498 HydrophobicContact CB-CG2 4.18Å
475	V	98.9	Very high	98.4	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	126.7	164	-173.5	0	0	0	0	109.3	R308 R468 I469 I470 I487 E488 M515	R308-V475 HydrophobicContact CG-CG2 3.88Å; R468-V475 HydrophobicContact CG-CG1 3.83Å; I469-V475 VanDerWaalsContact O-CA 3.32Å; I469-V475 WeakPolarHBondContact O-CA 3.37Å; I470-V475 HydrophobicContact CG1-CG1 4.14Å; I470-V475 HydrophobicContact CG1-CG2 4.41Å; I470-V475 HydrophobicContact CG2-CG2 4.41Å; V475-I487 HydrophobicContact CB-CD1 4.43Å; V475-I487 HydrophobicContact CB-CG1 4.02Å; V475-I487 HydrophobicContact CG1-CD1 3.81Å; V475-I487 HydrophobicContact CG1-CG1 3.86Å; V475-I487 VanDerWaalsContact O-CG1 3.29Å; V475-I487 WeakPolarHBondContact O-CG1 3.23Å; V475-I487 PolarHBondContact O-N 3.39Å; V475-E488 HydrophobicContact CB-CB 3.87Å; V475-E488 HydrophobicContact CB-CG 4.32Å; V475-E488 HydrophobicContact CG2-CB 3.91Å; V475-E488 HydrophobicContact CG2-CG 4.43Å; V475-E488 PolarHBondContact N-O 2.8Å; V475-E488 PolarHBondContact O-N 3.31Å; V475-M515 HydrophobicContact CG2-CE 4.15Å; V475-M515 HydrophobicContact CG2-CG 4.26Å
476	F	98.9	Very high	98.5	Very high	0 Å²	0	38 Å²	38	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.4	175.4	-62	-88.1	0	0	0	110.7	H443 I452 R468 I469 A474 L484 T485 L486 V498 F506	H443-F476 AromaticContact CE1-CE2 3.83Å; I452-F476 HydrophobicContact CD1-CD2 4.09Å; I452-F476 HydrophobicContact CD1-CE2 3.83Å; R468-F476 CarbonylContact C-O 3.51Å; R468-F476 VanDerWaalsContact CA-O 3.25Å; R468-F476 WeakPolarHBondContact CA-O 3.33Å; R468-F476 WeakPolarHBondContact CG-O 3.48Å; I469-F476 HydrophobicContact CB-CB 4.4Å; I469-F476 PolarHBondContact N-O 3.28Å; I469-F476 PolarHBondContact O-N 3.11Å; A474-F476 HydrophobicContact CB-CD2 4.21Å; A474-F476 HydrophobicContact CB-CE2 3.61Å; A474-F476 HydrophobicContact CB-CZ 4.02Å; F476-L484 HydrophobicContact CD1-CB 4.16Å; F476-T485 CarbonylContact C-O 3.56Å; F476-T485 VanDerWaalsContact CA-O 3.28Å; F476-T485 WeakPolarHBondContact CA-O 3.07Å; F476-L486 HydrophobicContact CD1-CB 3.98Å; F476-L486 HydrophobicContact CD1-CD1 4.13Å; F476-L486 HydrophobicContact CE1-CB 3.81Å; F476-L486 HydrophobicContact CE1-CD1 3.77Å; F476-L486 HydrophobicContact CE1-CG 4.35Å; F476-L486 HydrophobicContact CE2-CD1 4.48Å; F476-L486 HydrophobicContact CZ-CD1 3.98Å; F476-V498 HydrophobicContact CE1-CG1 4.35Å; F476-V498 HydrophobicContact CE2-CG1 4.3Å; F476-V498 HydrophobicContact CZ-CG1 3.5Å; F476-F506 HydrophobicContact CD1-CB 4.36Å; F476-F506 HydrophobicContact CE1-CB 4Å; F476-F506 AromaticContact CE1-CD1 3.91Å; F476-F506 HydrophobicContact CE1-CD1 3.91Å; F476-F506 AromaticContact CE1-CD2 3.99Å; F476-F506 HydrophobicContact CE1-CD2 3.99Å; F476-F506 HydrophobicContact CE1-CE1 4.35Å; F476-F506 HydrophobicContact CE1-CE2 4.44Å; F476-F506 AromaticContact CE1-CG 3.7Å; F476-F506 HydrophobicContact CE1-CG 3.7Å; F476-F506 HydrophobicContact CZ-CD1 4.33Å; F476-F506 HydrophobicContact CZ-CE1 4.47Å
477	D	98.8	Very high	98.5	Very high	58 Å²	58	39 Å²	39	31%	0.31	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	143.7	157.7	-77.9	-18.7	0	0	0	109.6	R468 L484 T485 I487	R468-D477 IonicContact CZ-OD1 2.69Å; R468-D477 IonicContact NE-OD1 2.68Å; R468-D477 PolarHBondContact NE-OD1 3.37Å; R468-D477 IonicContact NH2-OD1 3.48Å; R468-D477 PolarHBondContact NH2-OD1 3.17Å; R468-D477 IonicContact NH2-OD2 3.75Å; R468-D477 PolarHBondContact NH2-OD2 3.32Å; D477-L484 CarbonylContact O-C 3.54Å; D477-L484 WeakPolarHBondContact O-CA 3.46Å; D477-T485 PolarHBondContact N-O 3.41Å; D477-T485 PolarHBondContact O-N 3.29Å; D477-I487 HydrophobicContact CB-CG2 4.28Å
478	V	98.8	Very high	98.5	Very high	13 Å²	13	36.7 Å²	36.7	8%	0.079	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	119.7	-175.8	-171.3	0	0	0	0	109.4	V466 N467 I469 L484	V466-V478 HydrophobicContact CG1-CG2 4.22Å; V466-V478 WeakPolarHBondContact O-CB 3.49Å; N467-V478 PolarHBondContact O-N 3.36Å; I469-V478 HydrophobicContact CD1-CG2 3.92Å; I469-V478 HydrophobicContact CG1-CG2 3.83Å; V478-L484 HydrophobicContact CB-CD2 4.26Å; V478-L484 HydrophobicContact CG1-CD2 4.03Å; V478-L484 HydrophobicContact CG2-CD2 3.62Å
479	D	98.5	Very high	98.4	Very high	65 Å²	65	35.5 Å²	35.5	35%	0.348	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	134.8	173.2	-179.2	-82.1	0	0	0	110.2	K481 K482 G483	D479-K481 PolarHBondContact O-N 2.99Å; D479-K481 WeakPolarHBondContact OD1-CA 3.12Å; D479-K481 WeakPolarHBondContact OD1-CB 3.17Å; D479-K481 PolarHBondContact OD1-N 2.78Å; D479-K482 HydrophobicContact CB-CB 3.99Å; D479-K482 PolarHBondContact OD1-N 3.43Å; D479-G483 PolarHBondContact N-O 3.02Å; D479-G483 WeakPolarHBondContact O-CA 3.18Å; D479-G483 PolarHBondContact O-N 2.89Å
480	K	96.3	Very high	98.4	Very high	90 Å²	90	38.2 Å²	38.2	39%	0.391	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.5	-175.7	-53.2	-172.2	-174.9	-159.8	0	113.7	Q464	Q464-K480 HydrophobicContact CB-CB 4.27Å; Q464-K480 HydrophobicContact CB-CD 4.07Å; Q464-K480 HydrophobicContact CB-CG 4.07Å; Q464-K480 WeakPolarHBondContact O-CD 3.27Å; Q464-K480 WeakPolarHBondContact O-CE 3.47Å; Q464-K480 PolarHBondContact O-NZ 2.74Å; Q464-K480 VanDerWaalsContact O-NZ 3.07Å
481	K	97.3	Very high	98.2	Very high	187 Å²	187	46 Å²	46	81%	0.813	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116	-41.4	-178.8	-63.1	-176.5	178.5	-180	0	113.2	Y407 D479	Y407-K481 WeakPolarHBondContact CE1-O 3.4Å; D479-K481 PolarHBondContact O-N 2.99Å; D479-K481 WeakPolarHBondContact OD1-CA 3.12Å; D479-K481 WeakPolarHBondContact OD1-CB 3.17Å; D479-K481 PolarHBondContact OD1-N 2.78Å
482	K	97.9	Very high	98.1	Very high	170 Å²	170	49.5 Å²	49.5	74%	0.739	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-18.6	-176.6	-57.5	174.5	-176.5	171.7	0	112.8	D479	D479-K482 HydrophobicContact CB-CB 3.99Å; D479-K482 PolarHBondContact OD1-N 3.43Å
483	G	98.4	Very high	98	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	82.5	-146.8	-177.2	0	0	0	0	0	112.7	K406 D479	K406-G483 CarbonylContact O-C 3.53Å; K406-G483 WeakPolarHBondContact O-CA 3.41Å; D479-G483 PolarHBondContact N-O 3.02Å; D479-G483 WeakPolarHBondContact O-CA 3.18Å; D479-G483 PolarHBondContact O-N 2.89Å
484	L	98.8	Very high	98	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.01	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	140.1	-173.8	-56.1	-178.3	0	0	0	112.6	K406 I452 I469 F476 D477 V478 F506 A507	K406-L484 WeakPolarHBondContact O-CD2 3.21Å; K406-L484 PolarHBondContact O-N 3.33Å; I452-L484 HydrophobicContact CG2-CD1 3.49Å; I452-L484 VanDerWaalsContact CG2-CD1 3.49Å; I469-L484 HydrophobicContact CD1-CD2 4.01Å; F476-L484 HydrophobicContact CD1-CB 4.16Å; D477-L484 CarbonylContact O-C 3.54Å; D477-L484 WeakPolarHBondContact O-CA 3.46Å; V478-L484 HydrophobicContact CB-CD2 4.26Å; V478-L484 HydrophobicContact CG1-CD2 4.03Å; V478-L484 HydrophobicContact CG2-CD2 3.62Å; L484-F506 HydrophobicContact CB-CB 3.66Å; L484-F506 WeakPolarHBondContact O-CA 3.08Å; L484-A507 PolarHBondContact O-N 3.22Å
485	T	98.9	Very high	98	Very high	41 Å²	41	54.5 Å²	54.5	25%	0.252	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	117.7	167.3	-57.6	0	0	0	0	109.7	F476 D477 I487 A507	F476-T485 CarbonylContact C-O 3.56Å; F476-T485 VanDerWaalsContact CA-O 3.28Å; F476-T485 WeakPolarHBondContact CA-O 3.07Å; D477-T485 PolarHBondContact N-O 3.41Å; D477-T485 PolarHBondContact O-N 3.29Å; T485-I487 HydrophobicContact CG2-CG2 4.17Å; T485-I487 PolarHBondContact O-N 3.29Å; T485-A507 CarbonylContact C-O 3.53Å; T485-A507 WeakPolarHBondContact CA-O 3.21Å; T485-A507 HydrophobicContact CG2-CB 4.45Å
486	L	98.9	Very high	98	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	116.3	172.8	-178.8	66.8	0	0	0	109.2	A474 F476 E488 V495 F506 A507 S509 L512	A474-L486 HydrophobicContact CB-CD1 3.49Å; A474-L486 VanDerWaalsContact CB-CD1 3.49Å; F476-L486 HydrophobicContact CD1-CB 3.98Å; F476-L486 HydrophobicContact CD1-CD1 4.13Å; F476-L486 HydrophobicContact CE1-CB 3.81Å; F476-L486 HydrophobicContact CE1-CD1 3.77Å; F476-L486 HydrophobicContact CE1-CG 4.35Å; F476-L486 HydrophobicContact CE2-CD1 4.48Å; F476-L486 HydrophobicContact CZ-CD1 3.98Å; L486-E488 WeakPolarHBondContact CD1-O 3.27Å; L486-V495 HydrophobicContact CD2-CG2 4.26Å; L486-F506 HydrophobicContact CB-CD2 3.94Å; L486-F506 HydrophobicContact CB-CE2 4.19Å; L486-F506 HydrophobicContact CD2-CE2 4.02Å; L486-A507 PolarHBondContact N-O 3.11Å; L486-S509 VanDerWaalsContact O-CB 3.26Å; L486-S509 WeakPolarHBondContact O-CB 3.38Å; L486-S509 PolarHBondContact O-N 2.87Å; L486-L512 HydrophobicContact CD2-CD1 4.15Å; L486-L512 HydrophobicContact CD2-CD2 4.45Å; L486-L512 HydrophobicContact CG-CD1 3.8Å
487	I	98.8	Very high	97.9	Very high	25 Å²	25	60.9 Å²	60.9	13%	0.128	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-26.3	-177.5	59.3	158.9	0	0	0	113.1	V475 D477 T485 M513	V475-I487 HydrophobicContact CB-CD1 4.43Å; V475-I487 HydrophobicContact CB-CG1 4.02Å; V475-I487 HydrophobicContact CG1-CD1 3.81Å; V475-I487 HydrophobicContact CG1-CG1 3.86Å; V475-I487 VanDerWaalsContact O-CG1 3.29Å; V475-I487 WeakPolarHBondContact O-CG1 3.23Å; V475-I487 PolarHBondContact O-N 3.39Å; D477-I487 HydrophobicContact CB-CG2 4.28Å; T485-I487 HydrophobicContact CG2-CG2 4.17Å; T485-I487 PolarHBondContact O-N 3.29Å; I487-M513 PolarHBondContact O-N 2.95Å
488	E	98.8	Very high	97.9	Very high	9 Å²	9	58.1 Å²	58.1	4%	0.042	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	144.3	175.6	-59.4	177	-146.5	0	0	111.6	R308 A474 V475 L486 M513 M515 Q516	R308-E488 WeakPolarHBondContact CD-OE2 3.33Å; R308-E488 IonicContact CZ-OE1 2.76Å; R308-E488 VanDerWaalsContact CZ-OE1 3.31Å; R308-E488 IonicContact CZ-OE2 2.96Å; R308-E488 VanDerWaalsContact NE-CD 3.3Å; R308-E488 IonicContact NE-OE1 3.23Å; R308-E488 PolarHBondContact NE-OE1 3.12Å; R308-E488 VanDerWaalsContact NE-OE1 3.13Å; R308-E488 IonicContact NE-OE2 3.22Å; R308-E488 PolarHBondContact NE-OE2 2.69Å; R308-E488 IonicContact NH2-OE1 3.01Å; R308-E488 PolarHBondContact NH2-OE1 2.85Å; R308-E488 IonicContact NH2-OE2 3.96Å; A474-E488 WeakPolarHBondContact CA-O 3.48Å; V475-E488 HydrophobicContact CB-CB 3.87Å; V475-E488 HydrophobicContact CB-CG 4.32Å; V475-E488 HydrophobicContact CG2-CB 3.91Å; V475-E488 HydrophobicContact CG2-CG 4.43Å; V475-E488 PolarHBondContact N-O 2.8Å; V475-E488 PolarHBondContact O-N 3.31Å; L486-E488 WeakPolarHBondContact CD1-O 3.27Å; E488-M513 VanDerWaalsContact CA-O 3.28Å; E488-M513 WeakPolarHBondContact CA-O 3.31Å; E488-M513 HydrophobicContact CG-CG 3.87Å; E488-M515 HydrophobicContact CB-CB 4.24Å; E488-M515 WeakPolarHBondContact OE2-CA 3.28Å; E488-Q516 PolarHBondContact OE2-N 2.68Å
489	L	98.5	Very high	97.8	Very high	18 Å²	18	62.6 Å²	62.6	9%	0.094	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	132.7	-178.2	-178.1	63.2	0	0	0	110.2	L493 V495 V498 L512 M513 P514 M515	L489-L493 HydrophobicContact CD1-CB 3.96Å; L489-L493 VanDerWaalsContact CD2-O 3.29Å; L489-L493 WeakPolarHBondContact CD2-O 3.45Å; L489-L493 HydrophobicContact CG-CB 4.31Å; L489-V495 HydrophobicContact CD2-CG2 4.41Å; L489-V498 HydrophobicContact CD1-CG2 3.35Å; L489-L512 HydrophobicContact CB-CD1 4.22Å; L489-M513 PolarHBondContact N-O 2.91Å; L489-P514 CarbonylContact O-C 3.51Å; L489-P514 WeakPolarHBondContact O-CA 3.24Å; L489-M515 PolarHBondContact O-N 2.75Å
490	W	98	Very high	97.8	Very high	58 Å²	58	65.5 Å²	65.5	22%	0.22	33%	0.332	C	S	.	.			trans	-62.1	141	178.4	-177	-100.2	0	0	0	112	R304 K473 G492 L493 M515 Q517	R304-W490 HydrophobicContact CB-CZ3 4.47Å; R304-W490 HydrophobicContact CG-CH2 3.68Å; R304-W490 HydrophobicContact CG-CZ2 4.04Å; R304-W490 HydrophobicContact CG-CZ3 3.97Å; R304-W490 VanDerWaalsContact CZ-CD2 3.46Å; R304-W490 VanDerWaalsContact CZ-NE1 3.34Å; R304-W490 VanDerWaalsContact NH2-CD2 3.26Å; K473-W490 WeakPolarHBondContact O-CB 3.34Å; K473-W490 PolarHBondContact O-N 2.78Å; W490-G492 PolarHBondContact O-N 2.95Å; W490-L493 HydrophobicContact CB-CD1 4.04Å; W490-L493 HydrophobicContact CB-CG 4.39Å; W490-L493 PolarHBondContact O-N 3.11Å; W490-L493 VanDerWaalsContact O-N 3.1Å; W490-M515 HydrophobicContact CB-CE 4.33Å; W490-M515 HydrophobicContact CE3-CB 4.07Å; W490-M515 HydrophobicContact CE3-CG 4.34Å; W490-M515 HydrophobicContact CE3-SD 3.83Å; W490-M515 HydrophobicContact CZ3-SD 4.45Å; W490-Q517 HydrophobicContact CH2-CG 4.06Å; W490-Q517 HydrophobicContact CZ3-CG 3.66Å
491	E	95.1	Very high	97.9	Very high	163 Å²	163	61.3 Å²	61.3	76%	0.762	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	131.5	-179.8	-172.4	176.2	-174.6	0	0	111.8	L493	E491-L493 VanDerWaalsContact C-N 3.34Å
492	G	95.1	Very high	97.9	Very high	74 Å²	74	52.7 Å²	52.7	76%	0.763	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-7.6	-178.2	0	0	0	0	0	115.4	W490	W490-G492 PolarHBondContact O-N 2.95Å
493	L	97.5	Very high	97.9	Very high	53 Å²	53	45.9 Å²	45.9	28%	0.277	26%	0.255	S	S	.	.			trans	-92.5	156.2	169.7	-61.1	-175.6	0	0	0	111.5	K473 L489 W490 E491 D497	K473-L493 HydrophobicContact CB-CD1 3.59Å; K473-L493 HydrophobicContact CD-CD1 4.07Å; K473-L493 HydrophobicContact CG-CD1 3.69Å; L489-L493 HydrophobicContact CD1-CB 3.96Å; L489-L493 VanDerWaalsContact CD2-O 3.29Å; L489-L493 WeakPolarHBondContact CD2-O 3.45Å; L489-L493 HydrophobicContact CG-CB 4.31Å; W490-L493 HydrophobicContact CB-CD1 4.04Å; W490-L493 HydrophobicContact CB-CG 4.39Å; W490-L493 PolarHBondContact O-N 3.11Å; W490-L493 VanDerWaalsContact O-N 3.1Å; E491-L493 VanDerWaalsContact C-N 3.34Å; L493-D497 HydrophobicContact CD2-CB 4.48Å
494	T	98	Very high	97.9	Very high	71 Å²	71	46.5 Å²	46.5	44%	0.436	26%	0.259	S	S	.	.			trans	-108	164.7	172.6	68.7	0	0	0	0	111.2	D496 D497 V498	T494-D496 PolarHBondContact O-N 2.77Å; T494-D496 PolarHBondContact OG1-N 2.85Å; T494-D497 WeakPolarHBondContact CB-OD2 3.38Å; T494-D497 PolarHBondContact N-OD2 3.15Å; T494-D497 WeakPolarHBondContact O-CB 3.43Å; T494-D497 PolarHBondContact O-N 2.77Å; T494-D497 VanDerWaalsContact OG1-CG 3.23Å; T494-D497 PolarHBondContact OG1-N 2.85Å; T494-D497 PolarHBondContact OG1-OD2 3.29Å; T494-V498 PolarHBondContact O-N 3Å
495	V	98.1	Very high	97.9	Very high	47 Å²	47	51.5 Å²	51.5	29%	0.285	29%	0.286	S	S	.	.	H	α-helix	trans	-59.1	-35.7	172.1	176	0	0	0	0	111.2	L486 L489 V498 Q499 F506 V508 L512	L486-V495 HydrophobicContact CD2-CG2 4.26Å; L489-V495 HydrophobicContact CD2-CG2 4.41Å; V495-V498 PolarHBondContact O-N 3.48Å; V495-Q499 WeakPolarHBondContact O-CB 3.5Å; V495-Q499 PolarHBondContact O-N 2.75Å; V495-F506 HydrophobicContact CG1-CE2 4.06Å; V495-F506 HydrophobicContact CG1-CZ 4.38Å; V495-V508 HydrophobicContact CG1-CG2 3.88Å; V495-V508 HydrophobicContact CG2-CG2 4.45Å; V495-L512 HydrophobicContact CG2-CD2 4.13Å
496	D	97.9	Very high	97.9	Very high	76 Å²	76	51 Å²	51	41%	0.406	28%	0.281	S	S	.	.	H	α-helix	trans	-64.6	-38.1	177.5	177.8	66.4	0	0	0	112.1	T494 V498 Q499 K500	T494-D496 PolarHBondContact O-N 2.77Å; T494-D496 PolarHBondContact OG1-N 2.85Å; D496-V498 VanDerWaalsContact C-N 3.32Å; D496-V498 PolarHBondContact O-N 3.13Å; D496-Q499 PolarHBondContact O-N 2.92Å; D496-K500 WeakPolarHBondContact O-CG 3.47Å; D496-K500 PolarHBondContact O-N 3.35Å; D496-K500 IonicContact OD1-NZ 3.31Å; D496-K500 WeakPolarHBondContact OD2-CE 3.34Å; D496-K500 IonicContact OD2-NZ 2.78Å; D496-K500 PolarHBondContact OD2-NZ 3.46Å
497	D	97.7	Very high	97.9	Very high	59 Å²	59	53.5 Å²	53.5	32%	0.316	30%	0.301	S	S	.	.	H	α-helix	trans	-61.4	-41.7	175.1	-62.8	-52.5	0	0	0	111.9	L493 T494 S501	L493-D497 HydrophobicContact CD2-CB 4.48Å; T494-D497 WeakPolarHBondContact CB-OD2 3.38Å; T494-D497 PolarHBondContact N-OD2 3.15Å; T494-D497 WeakPolarHBondContact O-CB 3.43Å; T494-D497 PolarHBondContact O-N 2.77Å; T494-D497 VanDerWaalsContact OG1-CG 3.23Å; T494-D497 PolarHBondContact OG1-N 2.85Å; T494-D497 PolarHBondContact OG1-OD2 3.29Å; D497-S501 PolarHBondContact O-N 2.92Å; D497-S501 PolarHBondContact O-OG 3.2Å
498	V	98.2	Very high	97.9	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-69.4	-39.3	176.7	175.5	0	0	0	0	111.1	A474 F476 L489 T494 V495 D496 K500 S501 T502 F506	A474-V498 HydrophobicContact CB-CG1 4.16Å; A474-V498 HydrophobicContact CB-CG2 4.18Å; F476-V498 HydrophobicContact CE1-CG1 4.35Å; F476-V498 HydrophobicContact CE2-CG1 4.3Å; F476-V498 HydrophobicContact CZ-CG1 3.5Å; L489-V498 HydrophobicContact CD1-CG2 3.35Å; T494-V498 PolarHBondContact O-N 3Å; V495-V498 PolarHBondContact O-N 3.48Å; D496-V498 VanDerWaalsContact C-N 3.32Å; D496-V498 PolarHBondContact O-N 3.13Å; V498-K500 VanDerWaalsContact C-N 3.35Å; V498-K500 PolarHBondContact O-N 2.87Å; V498-S501 CarbonylContact O-C 3.53Å; V498-S501 PolarHBondContact O-N 3.12Å; V498-S501 VanDerWaalsContact O-N 3.15Å; V498-S501 PolarHBondContact O-OG 3.41Å; V498-T502 VanDerWaalsContact O-CB 3.3Å; V498-T502 WeakPolarHBondContact O-CB 3.42Å; V498-T502 PolarHBondContact O-N 2.95Å; V498-T502 PolarHBondContact O-OG1 2.63Å; V498-F506 HydrophobicContact CB-CZ 4.28Å; V498-F506 HydrophobicContact CG1-CE1 4.03Å; V498-F506 HydrophobicContact CG1-CZ 3.82Å
499	Q	97.8	Very high	97.9	Very high	106 Å²	106	56.3 Å²	56.3	50%	0.495	32%	0.321	S	S	.	.	H	α-helix	trans	-62.5	-40.9	177	-166.9	168.1	8.3	0	0	111.8	V495 D496 S501 T502 F506	V495-Q499 WeakPolarHBondContact O-CB 3.5Å; V495-Q499 PolarHBondContact O-N 2.75Å; D496-Q499 PolarHBondContact O-N 2.92Å; Q499-S501 PolarHBondContact O-N 3.38Å; Q499-T502 PolarHBondContact O-N 3.34Å; Q499-F506 HydrophobicContact CB-CE1 4.26Å; Q499-F506 HydrophobicContact CB-CZ 4.04Å
500	K	97.7	Very high	97.8	Very high	127 Å²	127	62 Å²	62	55%	0.552	36%	0.359	S	S	*	.	H	α-helix	trans	-65.9	-24.8	175.3	-72.5	168.4	177.9	163.9	0	113.6	N448 H450 D496 V498	N448-K500 PolarHBondContact ND2-O 3.41Å; H450-K500 PolarHBondContact NE2-O 3.37Å; D496-K500 WeakPolarHBondContact O-CG 3.47Å; D496-K500 PolarHBondContact O-N 3.35Å; D496-K500 IonicContact OD1-NZ 3.31Å; D496-K500 WeakPolarHBondContact OD2-CE 3.34Å; D496-K500 IonicContact OD2-NZ 2.78Å; D496-K500 PolarHBondContact OD2-NZ 3.46Å; V498-K500 VanDerWaalsContact C-N 3.35Å; V498-K500 PolarHBondContact O-N 2.87Å
501	S	98	Very high	97.8	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.007	39%	0.385	C	S	.	.	H	α-helix	trans	-103.1	3.3	179.4	63.8	0	0	0	0	115.1	H443 S444 H450 K473 D497 V498 Q499	H443-S501 PolarHBondContact CD2-O 3.45Å; H443-S501 PolarHBondContact CD2-OG 3.02Å; H443-S501 PolarHBondContact NE2-OG 2.79Å; S444-S501 PolarHBondContact OG-O 3.41Å; H450-S501 PolarHBondContact CD2-O 2.84Å; K473-S501 PolarHBondContact NZ-OG 2.95Å; D497-S501 PolarHBondContact O-N 2.92Å; D497-S501 PolarHBondContact O-OG 3.2Å; V498-S501 CarbonylContact O-C 3.53Å; V498-S501 PolarHBondContact O-N 3.12Å; V498-S501 VanDerWaalsContact O-N 3.15Å; V498-S501 PolarHBondContact O-OG 3.41Å; Q499-S501 PolarHBondContact O-N 3.38Å
502	T	98.6	Very high	98	Very high	7 Å²	7	62.6 Å²	62.6	4%	0.043	36%	0.363	C	S	.	.			trans	-116.7	125.4	179	-55.1	0	0	0	0	110.3	H443 I452 V498 Q499 C504 F506	H443-T502 PolarHBondContact NE2-OG1 3.03Å; H443-T502 VanDerWaalsContact NE2-OG1 3.12Å; I452-T502 HydrophobicContact CB-CG2 4.06Å; I452-T502 HydrophobicContact CG2-CG2 3.78Å; V498-T502 VanDerWaalsContact O-CB 3.3Å; V498-T502 WeakPolarHBondContact O-CB 3.42Å; V498-T502 PolarHBondContact O-N 2.95Å; V498-T502 PolarHBondContact O-OG1 2.63Å; Q499-T502 PolarHBondContact O-N 3.34Å; T502-C504 VanDerWaalsContact C-N 3.26Å; T502-C504 PolarHBondContact O-N 3.11Å; T502-F506 HydrophobicContact CG2-CD1 3.96Å; T502-F506 HydrophobicContact CG2-CE1 4.2Å
503	G	98.2	Very high	98.1	Very high	26 Å²	26	63 Å²	63	27%	0.268	35%	0.346	S	S	.	.	B	Isolated β-bridge	trans	-86.3	26.9	-175.4	0	0	0	0	0	115.3	H450 I452 E454	H450-G503 WeakPolarHBondContact ND1-CA 3.49Å; I452-G503 WeakPolarHBondContact O-CA 3.46Å; I452-G503 PolarHBondContact O-N 3.19Å; E454-G503 PolarHBondContact N-O 3.23Å
504	C	98.3	Very high	98.1	Very high	13 Å²	13	64.8 Å²	64.8	9%	0.088	36%	0.361	C	S	.	.	S	Bend	trans	-160.3	163	175.5	54.3	0	0	0	0	111.2	K406 E454 T502	K406-C504 HydrophobicContact CB-CB 4.19Å; K406-C504 HydrophobicContact CD-CB 4.28Å; E454-C504 HydrophobicContact CB-CB 4.26Å; E454-C504 VanDerWaalsContact OE2-CB 3.24Å; E454-C504 WeakPolarHBondContact OE2-CB 3.47Å; T502-C504 VanDerWaalsContact C-N 3.26Å; T502-C504 PolarHBondContact O-N 3.11Å
505	D	98	Very high	98.1	Very high	108 Å²	108	62 Å²	62	58%	0.578	34%	0.343	S	S	*	.			trans	-71.4	145.4	174.4	-59.2	-39.7	0	0	0	111.6
506	F	98.8	Very high	98.1	Very high	30 Å²	30	63.5 Å²	63.5	13%	0.132	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	149.9	172.8	55	-98	0	0	0	110.6	F476 L484 L486 V495 V498 Q499 T502 V508	F476-F506 HydrophobicContact CD1-CB 4.36Å; F476-F506 HydrophobicContact CE1-CB 4Å; F476-F506 AromaticContact CE1-CD1 3.91Å; F476-F506 HydrophobicContact CE1-CD1 3.91Å; F476-F506 AromaticContact CE1-CD2 3.99Å; F476-F506 HydrophobicContact CE1-CD2 3.99Å; F476-F506 HydrophobicContact CE1-CE1 4.35Å; F476-F506 HydrophobicContact CE1-CE2 4.44Å; F476-F506 AromaticContact CE1-CG 3.7Å; F476-F506 HydrophobicContact CE1-CG 3.7Å; F476-F506 HydrophobicContact CZ-CD1 4.33Å; F476-F506 HydrophobicContact CZ-CE1 4.47Å; L484-F506 HydrophobicContact CB-CB 3.66Å; L484-F506 WeakPolarHBondContact O-CA 3.08Å; L486-F506 HydrophobicContact CB-CD2 3.94Å; L486-F506 HydrophobicContact CB-CE2 4.19Å; L486-F506 HydrophobicContact CD2-CE2 4.02Å; V495-F506 HydrophobicContact CG1-CE2 4.06Å; V495-F506 HydrophobicContact CG1-CZ 4.38Å; V498-F506 HydrophobicContact CB-CZ 4.28Å; V498-F506 HydrophobicContact CG1-CE1 4.03Å; V498-F506 HydrophobicContact CG1-CZ 3.82Å; Q499-F506 HydrophobicContact CB-CE1 4.26Å; Q499-F506 HydrophobicContact CB-CZ 4.04Å; T502-F506 HydrophobicContact CG2-CD1 3.96Å; T502-F506 HydrophobicContact CG2-CE1 4.2Å; F506-V508 HydrophobicContact CD2-CG2 4.39Å; F506-V508 HydrophobicContact CE2-CG2 4.21Å
507	A	98.6	Very high	98	Very high	53 Å²	53	62.8 Å²	62.8	44%	0.438	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	156.2	168.1	0	0	0	0	0	110.3	L484 T485 L486	L484-A507 PolarHBondContact O-N 3.22Å; T485-A507 CarbonylContact C-O 3.53Å; T485-A507 WeakPolarHBondContact CA-O 3.21Å; T485-A507 HydrophobicContact CG2-CB 4.45Å; L486-A507 PolarHBondContact N-O 3.11Å
508	V	98.7	Very high	97.6	Very high	68 Å²	68	61.8 Å²	61.8	41%	0.412	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	126.8	170.8	-178.7	0	0	0	0	108.5	V495 F506 L512	V495-V508 HydrophobicContact CG1-CG2 3.88Å; V495-V508 HydrophobicContact CG2-CG2 4.45Å; F506-V508 HydrophobicContact CD2-CG2 4.39Å; F506-V508 HydrophobicContact CE2-CG2 4.21Å; V508-L512 HydrophobicContact CG1-CB 4.14Å; V508-L512 HydrophobicContact CG1-CD2 3.81Å; V508-L512 HydrophobicContact CG1-CG 4.43Å
509	S	98.4	Very high	96.8	Very high	25 Å²	25	65.8 Å²	65.8	18%	0.175	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	134.2	175.9	178.6	0	0	0	0	110.2	L486 K511 L512	L486-S509 VanDerWaalsContact O-CB 3.26Å; L486-S509 WeakPolarHBondContact O-CB 3.38Å; L486-S509 PolarHBondContact O-N 2.87Å; S509-K511 PolarHBondContact O-N 3.21Å; S509-K511 VanDerWaalsContact O-N 3.08Å; S509-K511 PolarHBondContact OG-N 3.12Å; S509-K511 VanDerWaalsContact OG-N 3.14Å; S509-L512 WeakPolarHBondContact O-CB 3.14Å; S509-L512 PolarHBondContact O-N 3.02Å
510	P	97.9	Very high	95.1	Very high	136 Å²	136	69.4 Å²	69.4	88%	0.883	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	-12.5	171	27.8	-35	0	0	0	112.5
511	K	97.7	Very high	95	Very high	178 Å²	178	66.5 Å²	66.5	77%	0.774	38%	0.383	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	27.5	173.3	-56.9	-175.9	-179.5	-179.7	0	111.8	S509 M513	S509-K511 PolarHBondContact O-N 3.21Å; S509-K511 VanDerWaalsContact O-N 3.08Å; S509-K511 PolarHBondContact OG-N 3.12Å; S509-K511 VanDerWaalsContact OG-N 3.14Å; K511-M513 PolarHBondContact O-N 3.33Å
512	L	98.2	Very high	94.8	Very high	57 Å²	57	69.9 Å²	69.9	30%	0.298	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.4	129.1	174.8	179.8	67.8	0	0	0	109.3	L486 L489 V495 V508 S509	L486-L512 HydrophobicContact CD2-CD1 4.15Å; L486-L512 HydrophobicContact CD2-CD2 4.45Å; L486-L512 HydrophobicContact CG-CD1 3.8Å; L489-L512 HydrophobicContact CB-CD1 4.22Å; V495-L512 HydrophobicContact CG2-CD2 4.13Å; V508-L512 HydrophobicContact CG1-CB 4.14Å; V508-L512 HydrophobicContact CG1-CD2 3.81Å; V508-L512 HydrophobicContact CG1-CG 4.43Å; S509-L512 WeakPolarHBondContact O-CB 3.14Å; S509-L512 PolarHBondContact O-N 3.02Å
513	M	98.1	Very high	94.6	Very high	81 Å²	81	73.4 Å²	73.4	40%	0.399	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	163.1	-179.4	64.9	-176	-63.3	0	0	111.5	I487 E488 L489 K511 Q516	I487-M513 PolarHBondContact O-N 2.95Å; E488-M513 VanDerWaalsContact CA-O 3.28Å; E488-M513 WeakPolarHBondContact CA-O 3.31Å; E488-M513 HydrophobicContact CG-CG 3.87Å; L489-M513 PolarHBondContact N-O 2.91Å; K511-M513 PolarHBondContact O-N 3.33Å; M513-Q516 HydrophobicContact CE-CG 3.89Å; M513-Q516 PolarHBondContact SD-NE2 3.24Å
514	P	97.8	Very high	94.4	Very high	91 Å²	91	76.2 Å²	76.2	59%	0.591	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.1	141.2	168.3	-23.9	35	0	0	0	110.8	L489 Q516	L489-P514 CarbonylContact O-C 3.51Å; L489-P514 WeakPolarHBondContact O-CA 3.24Å; P514-Q516 PolarHBondContact O-N 3.41Å
515	M	98.3	Very high	94.2	Very high	13 Å²	13	80.2 Å²	80.2	6%	0.064	45%	0.453	C	S	.	.	P	Polyproline II helix	trans	-59.8	124.3	178.3	-175.4	-173.4	-62.6	0	0	110.8	R308 T471 V475 E488 L489 W490	R308-M515 HydrophobicContact CB-CG 4.39Å; R308-M515 HydrophobicContact CB-SD 4.19Å; R308-M515 HydrophobicContact CG-CG 4.01Å; R308-M515 HydrophobicContact CG-SD 4.18Å; T471-M515 WeakPolarHBondContact O-CE 3.39Å; V475-M515 HydrophobicContact CG2-CE 4.15Å; V475-M515 HydrophobicContact CG2-CG 4.26Å; E488-M515 HydrophobicContact CB-CB 4.24Å; E488-M515 WeakPolarHBondContact OE2-CA 3.28Å; L489-M515 PolarHBondContact O-N 2.75Å; W490-M515 HydrophobicContact CB-CE 4.33Å; W490-M515 HydrophobicContact CE3-CB 4.07Å; W490-M515 HydrophobicContact CE3-CG 4.34Å; W490-M515 HydrophobicContact CE3-SD 3.83Å; W490-M515 HydrophobicContact CZ3-SD 4.45Å
516	Q	97.2	Very high	93.9	Very high	79 Å²	79	78.3 Å²	78.3	37%	0.369	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-72	150.9	-178.3	-58.4	-178.3	6.9	0	0	110.7	R308 L311 E488 M513 P514	R308-Q516 WeakPolarHBondContact CD-O 3.46Å; L311-Q516 HydrophobicContact CD1-CB 3.36Å; E488-Q516 PolarHBondContact OE2-N 2.68Å; M513-Q516 HydrophobicContact CE-CG 3.89Å; M513-Q516 PolarHBondContact SD-NE2 3.24Å; P514-Q516 PolarHBondContact O-N 3.41Å
517	Q	95.4	Very high	93.6	Very high	61 Å²	61	81.8 Å²	81.8	29%	0.285	47%	0.468	S	S	.	.			trans	-135.5	134.3	173.3	-66.2	-70	-77.4	0	0	107.9	R304 K307 W490	R304-Q517 PolarHBondContact O-NE2 3.45Å; R304-Q517 PolarHBondContact O-OE1 3.09Å; K307-Q517 VanDerWaalsContact CB-OE1 3.24Å; W490-Q517 HydrophobicContact CH2-CG 4.06Å; W490-Q517 HydrophobicContact CZ3-CG 3.66Å
518	I	91	Very high	93.2	Very high	37 Å²	37	84 Å²	84	19%	0.19	47%	0.47	C	S	.	.			trans	-65.8	139.1	168.2	-163.2	157	0	0	0	109.4	K307 A310 L311 F332	K307-I518 HydrophobicContact CB-CG2 3.98Å; K307-I518 HydrophobicContact CG-CG2 3.99Å; A310-I518 HydrophobicContact CB-CD1 4.32Å; A310-I518 HydrophobicContact CB-CG2 4.13Å; L311-I518 HydrophobicContact CD2-CB 4.04Å; L311-I518 HydrophobicContact CD2-CD1 4.34Å; L311-I518 HydrophobicContact CD2-CG1 4.34Å; L311-I518 HydrophobicContact CG-CB 4.38Å; F332-I518 HydrophobicContact CB-CD1 4.49Å; F332-I518 HydrophobicContact CB-CG2 3.97Å; F332-I518 HydrophobicContact CD1-CG2 3.98Å; F332-I518 HydrophobicContact CG-CG2 4.22Å; F332-I518 WeakPolarHBondContact O-CD1 3.45Å
519	A	80.3	Confident	92.7	Very high	84 Å²	84	85.3 Å²	85.3	69%	0.694	48%	0.475	S	S	*	.			trans	-66.2	152.2	172.3	0	0	0	0	0	110
520	N	62.3	Low	92.2	Very high	182 Å²	182	90.8 Å²	90.8	97%	0.973	50%	0.502	S	S	*	.			trans	-67.1	0	173.9	-73.2	-13.1	0	0	0	112.3	K307	K307-N520 WeakPolarHBondContact CE-OD1 3.47Å; K307-N520 PolarHBondContact NZ-OD1 2.69Å

Retrieved 520 of 520 residues in 1310.7 ms (Link to these results)

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