A0A096N6W5_PAPAN Loading...

Ubiquitin-associated and SH3 domain-containing protein B

Interferes with CBL-mediated down-regulation and degradation of receptor-type tyrosine kinases. Promotes accumulation of activated target receptors, such as T-cell receptors and EGFR, on the cell surface. Exhibits tyrosine phosphatase activity toward several substrates including EGFR, FAK, SYK, and ZAP70. Down-regulates proteins that are dually modified by both protein tyrosine phosphorylation and ubiquitination.

AlphaFold DB (A0A2K6B9S3), UniProt , Accession A0A096N6W5, Species PAPAN (Papio anubis, Olive baboon), Gene UBASH3B, Length 649 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	32.6	Very low	30.1	Very low	250 Å²	250	149.1 Å²	149.1	100%	1.232	87%	0.869	S	S	*	*				0	133.8	0	-91	168	160.3	0	0	107.6
2	A	30.3	Very low	30	Very low	98 Å²	98	153.3 Å²	153.3	81%	0.81	88%	0.878	S	S	*	*			trans	-35	126.1	-168.1	0	0	0	0	0	116
3	Q	27.1	Very low	30	Very low	178 Å²	178	148.2 Å²	148.2	83%	0.832	87%	0.866	S	S	*	*				57.8	106.8	79.9	-83.4	-168.3	-7.3	0	0	114.5
4	Y	27.7	Very low	30	Very low	242 Å²	242	144.9 Å²	144.9	95%	0.949	86%	0.864	S	S	*	*				-161.6	129.9	119.4	-96.9	-74	0	0	0	108.9
5	G	27.3	Very low	30.2	Very low	73 Å²	73	152.4 Å²	152.4	75%	0.753	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-94.8	158.4	-167.2	0	0	0	0	0	114.9
6	H	27.5	Very low	30	Very low	189 Å²	189	154.3 Å²	154.3	88%	0.875	87%	0.87	S	S	*	*	P	Polyproline II helix	trans	-59.9	143.8	171.3	-75.6	-81.1	0	0	0	113.1
7	P	32.4	Very low	30	Very low	125 Å²	125	155.8 Å²	155.8	81%	0.812	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-94.3	134.4	157.9	19	-2.3	0	0	0	111.7
8	S	30.7	Very low	30	Very low	104 Å²	104	156.4 Å²	156.4	73%	0.727	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-74.8	161.3	175.4	-55.1	0	0	0	0	112.8	L10	S8-L10 PolarHBondContact O-N 3.18Å
9	P	30.5	Very low	30.1	Very low	134 Å²	134	159.9 Å²	159.9	87%	0.87	87%	0.869	S	S	*	*			trans	-81.1	112.7	-176.8	31.7	-30.6	0	0	0	111.2
10	L	31.9	Very low	30.2	Very low	167 Å²	167	156.9 Å²	156.9	87%	0.874	86%	0.861	S	S	*	*			trans	-129.9	103.9	168.3	-96.9	153.9	0	0	0	107.1	S8	S8-L10 PolarHBondContact O-N 3.18Å
11	G	32.5	Very low	30.1	Very low	80 Å²	80	159.4 Å²	159.4	83%	0.825	86%	0.863	S	S	*	*	S	Bend	trans	-173.8	5.1	179.5	0	0	0	0	0	116.5
12	M	29.6	Very low	29.9	Very low	199 Å²	199	154.5 Å²	154.5	98%	0.98	85%	0.847	S	S	*	*	S	Bend	trans	-139.6	44.7	-179.9	-84.8	-103.3	-151.3	0	0	110.6
13	A	29.5	Very low	29.7	Very low	87 Å²	87	156.1 Å²	156.1	72%	0.719	85%	0.847	S	S	*	*			trans	-151.5	32.4	178.7	0	0	0	0	0	113.4
14	A	31	Very low	29.8	Very low	102 Å²	102	153.5 Å²	153.5	84%	0.843	85%	0.845	S	S	*	*	S	Bend	trans	-122.6	16.1	177.8	0	0	0	0	0	113.7
15	R	31.6	Very low	29.8	Very low	258 Å²	258	153.9 Å²	153.9	97%	0.974	85%	0.845	S	S	*	*	S	Bend	trans	-109.8	2.4	177.9	-100.5	-176.2	168	176.2	-3	114.9
16	E	28.3	Very low	29.9	Very low	182 Å²	182	161.6 Å²	161.6	85%	0.85	85%	0.851	S	S	*	*	S	Bend	trans	-122.2	-0.9	-176.5	-84.1	-176.2	146.8	0	0	116.3
17	E	28.7	Very low	30.1	Very low	180 Å²	180	160 Å²	160	84%	0.841	85%	0.849	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	34.5	-177.7	-83.3	-164.9	156.3	0	0	115.7
18	L	31	Very low	29.9	Very low	167 Å²	167	165.9 Å²	165.9	87%	0.874	86%	0.855	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	18.2	163.4	-135.3	88.2	0	0	0	113.9
19	Y	32.5	Very low	29.7	Very low	224 Å²	224	169.5 Å²	169.5	88%	0.878	86%	0.861	S	S	*	*	S	Bend	trans	-129.4	66.6	171.7	-85.6	-85.3	0	0	0	110.6
20	S	30.8	Very low	29.5	Very low	99 Å²	99	172.6 Å²	172.6	69%	0.692	86%	0.863	S	S	*	*			trans	-176.8	103.1	152.3	45.3	0	0	0	0	111.8
21	K	28.4	Very low	29.3	Very low	210 Å²	210	175.9 Å²	175.9	91%	0.913	86%	0.864	S	S	*	*			trans	176.8	74.9	139.5	-94.6	161.1	-165.2	177.7	0	109.1
22	V	28	Very low	29.3	Very low	147 Å²	147	178.8 Å²	178.8	89%	0.891	87%	0.868	S	S	*	*			trans	-111.5	108	157.7	-179.1	0	0	0	0	106.7
23	T	27.3	Very low	29.2	Very low	132 Å²	132	172 Å²	172	81%	0.81	85%	0.85	S	S	*	*			trans	-91.6	132.5	167.4	17.5	0	0	0	0	108.6
24	P	28.3	Very low	29.5	Very low	122 Å²	122	174.5 Å²	174.5	79%	0.792	86%	0.856	S	S	*	*			trans	-86.2	123.2	179.1	31.8	-28.9	0	0	0	110
25	R	27.9	Very low	29.7	Very low	251 Å²	251	176.6 Å²	176.6	95%	0.947	85%	0.852	S	S	*	*			trans	-125.5	117.2	161.5	-89.9	-170	172.4	177.5	-0.6	111.5
26	R	30	Very low	30	Very low	234 Å²	234	173.5 Å²	173.5	88%	0.883	85%	0.845	S	S	*	*			trans	-54.2	149.7	174.8	-91.3	172.3	157.4	174.1	-6.1	114.2
27	N	31.5	Very low	30.7	Very low	155 Å²	155	173.4 Å²	173.4	83%	0.829	85%	0.845	S	S	*	*			trans	59.2	105.7	150.3	-74.5	-1.5	0	0	0	119.1
28	R	28	Very low	32.4	Very low	249 Å²	249	166.8 Å²	166.8	94%	0.94	83%	0.825	S	S	*	*			trans	-144.5	131.8	140.2	-136	172.7	-179.5	177.8	-0.1	112.7
29	Q	26.2	Very low	35	Very low	181 Å²	181	161.6 Å²	161.6	85%	0.846	80%	0.802	S	S	*	*			trans	-40.3	143.1	-173	-70.7	155.7	-23.4	0	0	117.9
30	Q	26.1	Very low	37.8	Very low	199 Å²	199	152.7 Å²	152.7	93%	0.93	78%	0.775	S	S	*	*			trans	-55.3	129.4	164.7	-78.6	173.7	-13	0	0	111.3
31	R	27.7	Very low	40.8	Very low	235 Å²	235	148.9 Å²	148.9	89%	0.887	75%	0.747	S	S	*	*			trans	-120.1	134.8	156	-78.7	-174.6	177.2	-179.4	-1.5	108.5	G33	R31-G33 PolarHBondContact O-N 3.07Å
32	P	32.8	Very low	43.9	Very low	141 Å²	141	142.7 Å²	142.7	92%	0.916	72%	0.723	S	S	*	*			trans	-74.6	107.7	176.2	29.4	-29.2	0	0	0	108.6
33	G	28.8	Very low	47.1	Very low	57 Å²	57	138 Å²	138	59%	0.588	70%	0.695	S	S	*	*			trans	-137	117.9	172.8	0	0	0	0	0	108.2	R31 I35	R31-G33 PolarHBondContact O-N 3.07Å; G33-I35 PolarHBondContact O-N 3.09Å
34	T	35.2	Very low	50.3	Low	140 Å²	140	131.7 Å²	131.7	86%	0.859	66%	0.657	S	S	*	*			trans	-42.3	109.6	171.9	40.7	0	0	0	0	111.4	K36	T34-K36 PolarHBondContact O-N 2.95Å; T34-K36 VanDerWaalsContact O-N 3.09Å
35	I	35.5	Very low	53.5	Low	145 Å²	145	128.5 Å²	128.5	74%	0.744	63%	0.633	S	S	*	*			trans	-68.7	105	171	-60.4	172.9	0	0	0	106.4	G33 H37	G33-I35 PolarHBondContact O-N 3.09Å; I35-H37 PolarHBondContact O-N 3.02Å
36	K	37.2	Very low	56.7	Low	193 Å²	193	121.3 Å²	121.3	84%	0.839	62%	0.62	S	S	*	*			trans	-65.6	112	161.7	-74	-176.2	176	-177	0	106.1	T34 G38	T34-K36 PolarHBondContact O-N 2.95Å; T34-K36 VanDerWaalsContact O-N 3.09Å; K36-G38 PolarHBondContact O-N 3.2Å
37	H	43	Very low	59.8	Low	181 Å²	181	115.3 Å²	115.3	84%	0.838	60%	0.604	S	S	*	*			trans	-59.5	109.7	166.8	-76.7	-82.4	0	0	0	107.4	I35	I35-H37 PolarHBondContact O-N 3.02Å
38	G	63.4	Low	62.8	Low	41 Å²	41	110.9 Å²	110.9	42%	0.423	59%	0.594	S	S	.	*			trans	-64.3	165.1	172	0	0	0	0	0	110.8	K36	K36-G38 PolarHBondContact O-N 3.2Å
39	S	86.5	Confident	66	Low	57 Å²	57	100.9 Å²	100.9	40%	0.399	56%	0.558	S	S	.	*			trans	-58.7	157.9	173.1	67.4	0	0	0	0	110.6	L41 D42 V43	S39-L41 PolarHBondContact O-N 2.95Å; S39-L41 VanDerWaalsContact O-N 3.14Å; S39-D42 WeakPolarHBondContact CB-OD2 3.32Å; S39-D42 PolarHBondContact N-OD2 3.44Å; S39-D42 WeakPolarHBondContact O-CB 3.21Å; S39-D42 PolarHBondContact O-N 2.92Å; S39-D42 PolarHBondContact OG-N 2.92Å; S39-D42 PolarHBondContact OG-OD2 3.12Å; S39-V43 PolarHBondContact O-N 3.25Å; S39-V43 VanDerWaalsContact O-N 3.13Å
40	A	91.5	Very high	69.3	Low	37 Å²	37	95.7 Å²	95.7	31%	0.306	54%	0.54	S	S	.	.	H	α-helix	trans	-54.6	-34.5	176	0	0	0	0	0	111.9	V43 L44 L58 V66	A40-V43 PolarHBondContact O-N 3.26Å; A40-L44 WeakPolarHBondContact O-CG 3.3Å; A40-L44 PolarHBondContact O-N 3.14Å; A40-L44 VanDerWaalsContact O-N 3.14Å; A40-L58 HydrophobicContact CB-CD2 3.87Å; A40-V66 HydrophobicContact CB-CG2 3.75Å
41	L	93.6	Very high	72.5	Confident	19 Å²	19	92.8 Å²	92.8	10%	0.099	52%	0.52	C	S	.	.	H	α-helix	trans	-62.4	-46.5	172.5	-179.3	59.8	0	0	0	112.3	S39 V43 L44 L45 A54 Q55 L58	S39-L41 PolarHBondContact O-N 2.95Å; S39-L41 VanDerWaalsContact O-N 3.14Å; L41-V43 PolarHBondContact O-N 3.03Å; L41-L44 PolarHBondContact O-N 3.35Å; L41-L45 HydrophobicContact CD1-CD1 4.38Å; L41-L45 HydrophobicContact CD1-CG 4.24Å; L41-L45 HydrophobicContact CG-CD1 4.09Å; L41-L45 HydrophobicContact CG-CG 4.38Å; L41-L45 VanDerWaalsContact O-CG 3.25Å; L41-L45 WeakPolarHBondContact O-CG 3.45Å; L41-L45 PolarHBondContact O-N 2.74Å; L41-A54 HydrophobicContact CD1-CB 3.66Å; L41-Q55 HydrophobicContact CD1-CG 3.83Å; L41-Q55 HydrophobicContact CD2-CG 4.09Å; L41-L58 HydrophobicContact CB-CD1 3.95Å; L41-L58 HydrophobicContact CD1-CD1 4.31Å
42	D	94.1	Very high	75.6	Confident	80 Å²	80	84.8 Å²	84.8	43%	0.428	50%	0.504	S	S	.	.	H	α-helix	trans	-60.4	-37.3	178.8	-61.1	-44.2	0	0	0	111.8	S39 L45 S46	S39-D42 WeakPolarHBondContact CB-OD2 3.32Å; S39-D42 PolarHBondContact N-OD2 3.44Å; S39-D42 WeakPolarHBondContact O-CB 3.21Å; S39-D42 PolarHBondContact O-N 2.92Å; S39-D42 PolarHBondContact OG-N 2.92Å; S39-D42 PolarHBondContact OG-OD2 3.12Å; D42-L45 PolarHBondContact O-N 3.29Å; D42-S46 WeakPolarHBondContact O-CB 3.33Å; D42-S46 PolarHBondContact O-N 3.3Å
43	V	94.9	Very high	78.6	Confident	49 Å²	49	81.5 Å²	81.5	30%	0.297	47%	0.474	S	S	.	.	H	α-helix	trans	-64.4	-48.5	175.9	-178	0	0	0	0	110.6	S39 A40 L41 L45 S46 M47 V66	S39-V43 PolarHBondContact O-N 3.25Å; S39-V43 VanDerWaalsContact O-N 3.13Å; A40-V43 PolarHBondContact O-N 3.26Å; L41-V43 PolarHBondContact O-N 3.03Å; V43-L45 VanDerWaalsContact C-N 3.33Å; V43-L45 PolarHBondContact O-N 3.07Å; V43-S46 PolarHBondContact O-N 3.39Å; V43-S46 VanDerWaalsContact O-N 3.13Å; V43-S46 PolarHBondContact O-OG 2.52Å; V43-M47 HydrophobicContact CG1-CE 3.8Å; V43-M47 WeakPolarHBondContact O-CG 3.43Å; V43-M47 PolarHBondContact O-N 3.28Å; V43-M47 VanDerWaalsContact O-N 3.1Å; V43-V66 HydrophobicContact CB-CG1 4.26Å; V43-V66 HydrophobicContact CB-CG2 4.04Å; V43-V66 HydrophobicContact CG1-CG1 3.76Å; V43-V66 HydrophobicContact CG1-CG2 4.21Å; V43-V66 HydrophobicContact CG2-CG2 4.44Å
44	L	95.1	Very high	81.8	Confident	0 Å²	0	78.8 Å²	78.8	0%	0	45%	0.446	C	S	.	.	H	α-helix	trans	-61.4	-39.5	177.4	-69.3	170.8	0	0	0	112.5	A40 L41 S46 M47 G48 F49 A54 L58 V66 A69 C70	A40-L44 WeakPolarHBondContact O-CG 3.3Å; A40-L44 PolarHBondContact O-N 3.14Å; A40-L44 VanDerWaalsContact O-N 3.14Å; L41-L44 PolarHBondContact O-N 3.35Å; L44-S46 VanDerWaalsContact C-N 3.34Å; L44-M47 WeakPolarHBondContact O-CB 3.22Å; L44-M47 PolarHBondContact O-N 3.25Å; L44-G48 PolarHBondContact O-N 2.98Å; L44-F49 HydrophobicContact CB-CD2 4.37Å; L44-F49 HydrophobicContact CD2-CD2 3.99Å; L44-F49 HydrophobicContact CD2-CE2 4.24Å; L44-F49 PolarHBondContact O-N 2.99Å; L44-A54 HydrophobicContact CB-CB 3.8Å; L44-A54 HydrophobicContact CD1-CB 3.94Å; L44-L58 HydrophobicContact CD1-CD1 3.98Å; L44-L58 HydrophobicContact CD1-CD2 4.01Å; L44-L58 HydrophobicContact CD1-CG 3.78Å; L44-V66 HydrophobicContact CD2-CG1 3.89Å; L44-V66 HydrophobicContact CG-CG1 4.2Å; L44-A69 HydrophobicContact CD1-CB 3.9Å; L44-A69 HydrophobicContact CD2-CB 4.42Å; L44-C70 WeakPolarHBondContact CD2-SG 3.46Å
45	L	95.6	Very high	84.6	Confident	55 Å²	55	73.6 Å²	73.6	29%	0.288	41%	0.412	S	S	.	.	H	α-helix	trans	-63.7	-39.9	174.6	-68	176	0	0	0	111.5	L41 D42 V43 M47 G48 F49 R51	L41-L45 HydrophobicContact CD1-CD1 4.38Å; L41-L45 HydrophobicContact CD1-CG 4.24Å; L41-L45 HydrophobicContact CG-CD1 4.09Å; L41-L45 HydrophobicContact CG-CG 4.38Å; L41-L45 VanDerWaalsContact O-CG 3.25Å; L41-L45 WeakPolarHBondContact O-CG 3.45Å; L41-L45 PolarHBondContact O-N 2.74Å; D42-L45 PolarHBondContact O-N 3.29Å; V43-L45 VanDerWaalsContact C-N 3.33Å; V43-L45 PolarHBondContact O-N 3.07Å; L45-M47 PolarHBondContact O-N 3.44Å; L45-G48 PolarHBondContact O-N 3.45Å; L45-F49 WeakPolarHBondContact CD2-O 3.3Å; L45-R51 HydrophobicContact CD2-CB 3.83Å; L45-R51 HydrophobicContact CD2-CG 4.25Å
46	S	94.5	Very high	87.4	Confident	99 Å²	99	67.6 Å²	67.6	69%	0.692	38%	0.38	S	S	*	.	H	α-helix	trans	-66.9	-25	176.7	78.4	0	0	0	0	113.5	D42 V43 L44 G48	D42-S46 WeakPolarHBondContact O-CB 3.33Å; D42-S46 PolarHBondContact O-N 3.3Å; V43-S46 PolarHBondContact O-N 3.39Å; V43-S46 VanDerWaalsContact O-N 3.13Å; V43-S46 PolarHBondContact O-OG 2.52Å; L44-S46 VanDerWaalsContact C-N 3.34Å; S46-G48 PolarHBondContact O-N 2.93Å
47	M	94.5	Very high	90.2	Very high	109 Å²	109	58.4 Å²	58.4	54%	0.537	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-8.2	171.8	-66.4	173.4	174.9	0	0	112.9	V43 L44 L45 F49 V66 C70	V43-M47 HydrophobicContact CG1-CE 3.8Å; V43-M47 WeakPolarHBondContact O-CG 3.43Å; V43-M47 PolarHBondContact O-N 3.28Å; V43-M47 VanDerWaalsContact O-N 3.1Å; L44-M47 WeakPolarHBondContact O-CB 3.22Å; L44-M47 PolarHBondContact O-N 3.25Å; L45-M47 PolarHBondContact O-N 3.44Å; M47-F49 HydrophobicContact CB-CD2 3.99Å; M47-F49 HydrophobicContact CB-CE2 4.05Å; M47-F49 HydrophobicContact SD-CE2 4.33Å; M47-V66 HydrophobicContact CE-CG1 4.13Å; M47-V66 HydrophobicContact SD-CG1 4.41Å; M47-C70 VanDerWaalsContact SD-SG 3.67Å
48	G	94.4	Very high	92.7	Very high	61 Å²	61	50.9 Å²	50.9	63%	0.629	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	95.9	6.2	176.9	0	0	0	0	0	115.1	L44 L45 S46	L44-G48 PolarHBondContact O-N 2.98Å; L45-G48 PolarHBondContact O-N 3.45Å; S46-G48 PolarHBondContact O-N 2.93Å
49	F	95.4	Very high	94.2	Very high	40 Å²	40	49.1 Å²	49.1	18%	0.175	29%	0.287	C	S	.	.			trans	-71.3	136.5	175.4	-65.5	-66.5	0	0	0	111.2	L44 L45 M47 A54 L73 F74	L44-F49 HydrophobicContact CB-CD2 4.37Å; L44-F49 HydrophobicContact CD2-CD2 3.99Å; L44-F49 HydrophobicContact CD2-CE2 4.24Å; L44-F49 PolarHBondContact O-N 2.99Å; L45-F49 WeakPolarHBondContact CD2-O 3.3Å; M47-F49 HydrophobicContact CB-CD2 3.99Å; M47-F49 HydrophobicContact CB-CE2 4.05Å; M47-F49 HydrophobicContact SD-CE2 4.33Å; F49-A54 HydrophobicContact CB-CB 4.47Å; F49-L73 HydrophobicContact CB-CD1 4.35Å; F49-L73 HydrophobicContact CD1-CD1 3.77Å; F49-L73 HydrophobicContact CD2-CD1 4.01Å; F49-L73 HydrophobicContact CE1-CB 4.29Å; F49-L73 HydrophobicContact CE1-CD1 3.97Å; F49-L73 HydrophobicContact CE2-CD1 4.2Å; F49-L73 HydrophobicContact CG-CD1 3.78Å; F49-L73 HydrophobicContact CZ-CD1 4.17Å; F49-F74 HydrophobicContact CE1-CE1 4.39Å; F49-F74 HydrophobicContact CE1-CZ 4.47Å; F49-F74 HydrophobicContact CZ-CE1 4.16Å; F49-F74 HydrophobicContact CZ-CE2 4.31Å; F49-F74 AromaticContact CZ-CZ 3.8Å; F49-F74 HydrophobicContact CZ-CZ 3.8Å
50	P	95.3	Very high	94.6	Very high	72 Å²	72	46.9 Å²	46.9	47%	0.468	27%	0.272	S	S	.	.			trans	-57.4	143.5	172.5	-24.7	33.9	0	0	0	111.9	A52 R53 A54	P50-A52 VanDerWaalsContact C-N 3.31Å; P50-A52 PolarHBondContact O-N 3.33Å; P50-R53 HydrophobicContact CB-CG 4.49Å; P50-R53 PolarHBondContact O-N 2.81Å; P50-R53 VanDerWaalsContact O-N 3.16Å; P50-A54 PolarHBondContact O-N 2.79Å
51	R	94.4	Very high	94.7	Very high	137 Å²	137	45.8 Å²	45.8	52%	0.517	26%	0.262	S	S	.	.	H	α-helix	trans	-54.7	-43.8	-175.9	-170.4	177.2	-176.5	94.5	0.4	113.4	L45 A54 Q55	L45-R51 HydrophobicContact CD2-CB 3.83Å; L45-R51 HydrophobicContact CD2-CG 4.25Å; R51-A54 PolarHBondContact O-N 3.4Å; R51-Q55 HydrophobicContact CG-CG 4.46Å; R51-Q55 WeakPolarHBondContact O-CB 3.4Å; R51-Q55 VanDerWaalsContact O-CG 3.32Å; R51-Q55 WeakPolarHBondContact O-CG 3.45Å; R51-Q55 PolarHBondContact O-N 3.1Å
52	A	93.1	Very high	94.7	Very high	67 Å²	67	45.6 Å²	45.6	55%	0.554	26%	0.264	S	S	*	.	H	α-helix	trans	-61.1	-48.5	179.2	0	0	0	0	0	111.9	P50 A54 Q55 K56	P50-A52 VanDerWaalsContact C-N 3.31Å; P50-A52 PolarHBondContact O-N 3.33Å; A52-A54 PolarHBondContact O-N 3Å; A52-Q55 PolarHBondContact O-N 2.66Å; A52-K56 WeakPolarHBondContact O-CB 3.45Å; A52-K56 PolarHBondContact O-N 3.5Å
53	R	94.8	Very high	94.5	Very high	73 Å²	73	43.9 Å²	43.9	28%	0.275	27%	0.265	S	S	.	.	H	α-helix	trans	-61.7	-43.6	176.6	-69.3	-168.3	-174.3	-168.3	-0.2	112	P50 Q55 K56 A57 L73 L82 D83	P50-R53 HydrophobicContact CB-CG 4.49Å; P50-R53 PolarHBondContact O-N 2.81Å; P50-R53 VanDerWaalsContact O-N 3.16Å; R53-Q55 PolarHBondContact O-N 3.21Å; R53-K56 PolarHBondContact O-N 3.16Å; R53-A57 WeakPolarHBondContact O-CB 3.29Å; R53-A57 PolarHBondContact O-N 3.16Å; R53-L73 HydrophobicContact CB-CD2 3.78Å; R53-L82 HydrophobicContact CG-CG 4.47Å; R53-D83 IonicContact CZ-OD1 2.69Å; R53-D83 VanDerWaalsContact CZ-OD1 3.31Å; R53-D83 IonicContact CZ-OD2 3.19Å; R53-D83 IonicContact NE-OD1 2.85Å; R53-D83 PolarHBondContact NE-OD1 3.35Å; R53-D83 IonicContact NE-OD2 3.23Å; R53-D83 VanDerWaalsContact NH2-CG 3.29Å; R53-D83 IonicContact NH2-OD1 3.17Å; R53-D83 PolarHBondContact NH2-OD1 3.16Å; R53-D83 VanDerWaalsContact NH2-OD1 3.11Å; R53-D83 IonicContact NH2-OD2 2.77Å; R53-D83 PolarHBondContact NH2-OD2 3.42Å
54	A	95.6	Very high	94.1	Very high	0 Å²	0	50 Å²	50	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-43.5	178.3	0	0	0	0	0	112.1	L41 L44 F49 P50 R51 A52 A57 L58	L41-A54 HydrophobicContact CD1-CB 3.66Å; L44-A54 HydrophobicContact CB-CB 3.8Å; L44-A54 HydrophobicContact CD1-CB 3.94Å; F49-A54 HydrophobicContact CB-CB 4.47Å; P50-A54 PolarHBondContact O-N 2.79Å; R51-A54 PolarHBondContact O-N 3.4Å; A52-A54 PolarHBondContact O-N 3Å; A54-A57 PolarHBondContact O-N 3.37Å; A54-L58 VanDerWaalsContact O-CG 3.29Å; A54-L58 WeakPolarHBondContact O-CG 3.45Å; A54-L58 PolarHBondContact O-N 3.24Å
55	Q	94.5	Very high	94	Very high	31 Å²	31	52.4 Å²	52.4	15%	0.145	30%	0.3	C	S	.	.	H	α-helix	trans	-64.6	-45.1	175.7	-72	175.2	-43.2	0	0	111.7	L41 R51 A52 R53 A57 L58 A59 D137	L41-Q55 HydrophobicContact CD1-CG 3.83Å; L41-Q55 HydrophobicContact CD2-CG 4.09Å; R51-Q55 HydrophobicContact CG-CG 4.46Å; R51-Q55 WeakPolarHBondContact O-CB 3.4Å; R51-Q55 VanDerWaalsContact O-CG 3.32Å; R51-Q55 WeakPolarHBondContact O-CG 3.45Å; R51-Q55 PolarHBondContact O-N 3.1Å; A52-Q55 PolarHBondContact O-N 2.66Å; R53-Q55 PolarHBondContact O-N 3.21Å; Q55-A57 VanDerWaalsContact C-N 3.34Å; Q55-A57 PolarHBondContact O-N 2.94Å; Q55-L58 PolarHBondContact O-N 3.19Å; Q55-A59 WeakPolarHBondContact O-CB 3.3Å; Q55-A59 PolarHBondContact O-N 3.42Å; Q55-D137 HydrophobicContact CB-CB 4.06Å
56	K	94.9	Very high	93.9	Very high	18 Å²	18	51.4 Å²	51.4	8%	0.078	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-42.2	176.2	-170.7	170.1	-172.9	168.5	0	112.5	A52 R53 A59 S60 W72 F81 L82 D84 D137	A52-K56 WeakPolarHBondContact O-CB 3.45Å; A52-K56 PolarHBondContact O-N 3.5Å; R53-K56 PolarHBondContact O-N 3.16Å; K56-A59 PolarHBondContact O-N 3.48Å; K56-S60 VanDerWaalsContact O-CB 3.28Å; K56-S60 WeakPolarHBondContact O-CB 3.46Å; K56-S60 PolarHBondContact O-N 2.65Å; K56-S60 PolarHBondContact O-OG 3.13Å; K56-W72 HydrophobicContact CD-CH2 4.34Å; K56-W72 HydrophobicContact CG-CH2 4Å; K56-W72 HydrophobicContact CG-CZ3 4.41Å; K56-F81 PolarHBondContact NZ-O 2.91Å; K56-L82 WeakPolarHBondContact CD-O 3.33Å; K56-L82 PolarHBondContact NZ-O 3.49Å; K56-D84 PolarHBondContact NZ-O 3.35Å; K56-D137 VanDerWaalsContact CA-OD2 3.3Å; K56-D137 WeakPolarHBondContact CA-OD2 3.42Å; K56-D137 WeakPolarHBondContact CB-OD2 3.27Å
57	A	95.4	Very high	93.9	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-66	-41.8	176.9	0	0	0	0	0	112.6	R53 A54 Q55 S60 T61 A69 W72 L73	R53-A57 WeakPolarHBondContact O-CB 3.29Å; R53-A57 PolarHBondContact O-N 3.16Å; A54-A57 PolarHBondContact O-N 3.37Å; Q55-A57 VanDerWaalsContact C-N 3.34Å; Q55-A57 PolarHBondContact O-N 2.94Å; A57-S60 PolarHBondContact O-N 2.9Å; A57-T61 WeakPolarHBondContact O-CB 3.47Å; A57-T61 WeakPolarHBondContact O-CG2 3.4Å; A57-T61 PolarHBondContact O-N 3.14Å; A57-T61 PolarHBondContact O-OG1 3.45Å; A57-A69 HydrophobicContact CB-CB 3.97Å; A57-W72 HydrophobicContact CB-CD2 4.36Å; A57-W72 HydrophobicContact CB-CE3 3.52Å; A57-W72 HydrophobicContact CB-CZ3 4.03Å; A57-L73 HydrophobicContact CB-CD1 3.93Å; A57-L73 HydrophobicContact CB-CD2 3.91Å; A57-L73 HydrophobicContact CB-CG 3.59Å
58	L	95.3	Very high	93.9	Very high	24 Å²	24	48.5 Å²	48.5	13%	0.126	28%	0.275	C	S	.	.	H	α-helix	trans	-62.9	-44.7	174.5	-71.7	169	0	0	0	111.1	A40 L41 L44 A54 Q55 T61 G62 G63 A69	A40-L58 HydrophobicContact CB-CD2 3.87Å; L41-L58 HydrophobicContact CB-CD1 3.95Å; L41-L58 HydrophobicContact CD1-CD1 4.31Å; L44-L58 HydrophobicContact CD1-CD1 3.98Å; L44-L58 HydrophobicContact CD1-CD2 4.01Å; L44-L58 HydrophobicContact CD1-CG 3.78Å; A54-L58 VanDerWaalsContact O-CG 3.29Å; A54-L58 WeakPolarHBondContact O-CG 3.45Å; A54-L58 PolarHBondContact O-N 3.24Å; Q55-L58 PolarHBondContact O-N 3.19Å; L58-T61 PolarHBondContact O-N 3.41Å; L58-T61 PolarHBondContact O-OG1 3.14Å; L58-G62 PolarHBondContact O-N 3.32Å; L58-G63 PolarHBondContact O-N 3.13Å; L58-A69 HydrophobicContact CD2-CB 3.98Å; L58-A69 HydrophobicContact CG-CB 4.36Å
59	A	94.6	Very high	94	Very high	3 Å²	3	45.6 Å²	45.6	3%	0.025	25%	0.245	C	C	.	.	H	α-helix	trans	-64.6	-41.6	177.2	0	0	0	0	0	112.4	Q55 K56 T61 G62 D137 V140 H326	Q55-A59 WeakPolarHBondContact O-CB 3.3Å; Q55-A59 PolarHBondContact O-N 3.42Å; K56-A59 PolarHBondContact O-N 3.48Å; A59-T61 PolarHBondContact O-N 3.28Å; A59-G62 PolarHBondContact O-N 3.06Å; A59-D137 HydrophobicContact CB-CB 4.06Å; A59-D137 VanDerWaalsContact CB-OD1 3.3Å; A59-D137 WeakPolarHBondContact CB-OD1 3.38Å; A59-V140 HydrophobicContact CB-CG2 4.17Å; A59-H326 PolarHBondContact O-CE1 3.18Å; A59-H326 PolarHBondContact O-NE2 2.93Å
60	S	94.3	Very high	94	Very high	10 Å²	10	44 Å²	44	7%	0.07	24%	0.239	C	C	.	.	H	α-helix	trans	-70.8	-16.3	178	-65	0	0	0	0	113.9	K56 A57 W72 R88 I324	K56-S60 VanDerWaalsContact O-CB 3.28Å; K56-S60 WeakPolarHBondContact O-CB 3.46Å; K56-S60 PolarHBondContact O-N 2.65Å; K56-S60 PolarHBondContact O-OG 3.13Å; A57-S60 PolarHBondContact O-N 2.9Å; S60-W72 WeakPolarHBondContact OG-CZ2 3.47Å; S60-R88 PolarHBondContact OG-NH1 2.78Å; S60-I324 WeakPolarHBondContact O-CD1 3.28Å; S60-I324 VanDerWaalsContact O-CG1 3.3Å; S60-I324 WeakPolarHBondContact O-CG1 3.42Å
61	T	94.8	Very high	94	Very high	15 Å²	15	44.1 Å²	44.1	9%	0.092	24%	0.236	C	C	.	.	H	α-helix	trans	-109.1	-1.1	177.4	57.7	0	0	0	0	113.3	A57 L58 A59 G63 R64 A68 W72	A57-T61 WeakPolarHBondContact O-CB 3.47Å; A57-T61 WeakPolarHBondContact O-CG2 3.4Å; A57-T61 PolarHBondContact O-N 3.14Å; A57-T61 PolarHBondContact O-OG1 3.45Å; L58-T61 PolarHBondContact O-N 3.41Å; L58-T61 PolarHBondContact O-OG1 3.14Å; A59-T61 PolarHBondContact O-N 3.28Å; T61-G63 VanDerWaalsContact C-N 3.28Å; T61-G63 PolarHBondContact O-N 3.28Å; T61-R64 VanDerWaalsContact O-CG 3.27Å; T61-R64 WeakPolarHBondContact O-CG 3.44Å; T61-R64 PolarHBondContact O-NE 3.41Å; T61-A68 HydrophobicContact CG2-CB 4.32Å; T61-W72 HydrophobicContact CG2-CB 3.8Å; T61-W72 HydrophobicContact CG2-CG 4.08Å
62	G	92.9	Very high	94.1	Very high	14 Å²	14	39.2 Å²	39.2	14%	0.144	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	71	23	-178.5	0	0	0	0	0	113.4	L58 A59 R64 I324 F325	L58-G62 PolarHBondContact O-N 3.32Å; A59-G62 PolarHBondContact O-N 3.06Å; G62-R64 PolarHBondContact O-N 3.44Å; G62-I324 VanDerWaalsContact N-CG2 3.25Å; G62-F325 WeakPolarHBondContact CA-O 3.28Å
63	G	89.4	Confident	94.3	Very high	44 Å²	44	36.3 Å²	36.3	45%	0.454	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.3	18.5	-180	0	0	0	0	0	114.8	L58 T61 S65	L58-G63 PolarHBondContact O-N 3.13Å; T61-G63 VanDerWaalsContact C-N 3.28Å; T61-G63 PolarHBondContact O-N 3.28Å; G63-S65 PolarHBondContact O-N 3.2Å
64	R	87.3	Confident	94.3	Very high	177 Å²	177	39.2 Å²	39.2	67%	0.668	21%	0.207	S	C	*	.			trans	-58.7	-45.8	-172.8	-70.9	177.5	-150	-168.1	5.1	113.6	T61 G62	T61-R64 VanDerWaalsContact O-CG 3.27Å; T61-R64 WeakPolarHBondContact O-CG 3.44Å; T61-R64 PolarHBondContact O-NE 3.41Å; G62-R64 PolarHBondContact O-N 3.44Å
65	S	92.6	Very high	94.3	Very high	52 Å²	52	41.8 Å²	41.8	36%	0.364	23%	0.225	S	C	.	.			trans	-163.2	159	177.9	71.1	0	0	0	0	111.2	G63 Q67 A68 A69	G63-S65 PolarHBondContact O-N 3.2Å; S65-Q67 VanDerWaalsContact C-N 3.27Å; S65-Q67 PolarHBondContact O-N 2.72Å; S65-A68 PolarHBondContact O-N 2.98Å; S65-A68 WeakPolarHBondContact OG-CB 3.37Å; S65-A68 PolarHBondContact OG-N 2.98Å; S65-A69 PolarHBondContact O-N 3.17Å
66	V	94.9	Very high	94.3	Very high	34 Å²	34	40.6 Å²	40.6	21%	0.206	22%	0.22	C	C	.	.	H	α-helix	trans	-59.7	-40.7	171.3	176.2	0	0	0	0	110.7	A40 V43 L44 M47 A68 A69 C70	A40-V66 HydrophobicContact CB-CG2 3.75Å; V43-V66 HydrophobicContact CB-CG1 4.26Å; V43-V66 HydrophobicContact CB-CG2 4.04Å; V43-V66 HydrophobicContact CG1-CG1 3.76Å; V43-V66 HydrophobicContact CG1-CG2 4.21Å; V43-V66 HydrophobicContact CG2-CG2 4.44Å; L44-V66 HydrophobicContact CD2-CG1 3.89Å; L44-V66 HydrophobicContact CG-CG1 4.2Å; M47-V66 HydrophobicContact CE-CG1 4.13Å; M47-V66 HydrophobicContact SD-CG1 4.41Å; V66-A68 PolarHBondContact O-N 3.36Å; V66-A69 PolarHBondContact O-N 3.33Å; V66-C70 PolarHBondContact O-N 3.2Å; V66-C70 PolarHBondContact O-SG 3.15Å; V66-C70 VanDerWaalsContact O-SG 3.35Å
67	Q	94.6	Very high	94.2	Very high	117 Å²	117	44.7 Å²	44.7	55%	0.547	25%	0.246	S	C	.	.	H	α-helix	trans	-60.8	-47	-179.9	-174.8	60.9	47.6	0	0	111.7	S65 A69 C70 D71	S65-Q67 VanDerWaalsContact C-N 3.27Å; S65-Q67 PolarHBondContact O-N 2.72Å; Q67-A69 VanDerWaalsContact C-N 3.29Å; Q67-A69 PolarHBondContact O-N 2.87Å; Q67-C70 WeakPolarHBondContact O-CB 3.49Å; Q67-C70 PolarHBondContact O-N 2.9Å; Q67-C70 VanDerWaalsContact O-N 3.16Å; Q67-D71 VanDerWaalsContact NE2-CG 3.35Å; Q67-D71 PolarHBondContact NE2-OD1 3.36Å; Q67-D71 PolarHBondContact NE2-OD2 3.38Å; Q67-D71 VanDerWaalsContact O-CG 3.25Å; Q67-D71 PolarHBondContact O-N 3.17Å
68	A	94.1	Very high	93.9	Very high	29 Å²	29	47 Å²	47	24%	0.24	27%	0.27	C	S	.	.	H	α-helix	trans	-60.7	-40.2	178.6	0	0	0	0	0	111.8	T61 S65 V66 D71 W72	T61-A68 HydrophobicContact CG2-CB 4.32Å; S65-A68 PolarHBondContact O-N 2.98Å; S65-A68 WeakPolarHBondContact OG-CB 3.37Å; S65-A68 PolarHBondContact OG-N 2.98Å; V66-A68 PolarHBondContact O-N 3.36Å; A68-D71 PolarHBondContact O-N 3.36Å; A68-W72 WeakPolarHBondContact O-CB 2.98Å; A68-W72 PolarHBondContact O-N 3.47Å
69	A	95.9	Very high	93.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-66.8	-39.8	175.9	0	0	0	0	0	112.3	L44 A57 L58 S65 V66 Q67 W72 L73	L44-A69 HydrophobicContact CD1-CB 3.9Å; L44-A69 HydrophobicContact CD2-CB 4.42Å; A57-A69 HydrophobicContact CB-CB 3.97Å; L58-A69 HydrophobicContact CD2-CB 3.98Å; L58-A69 HydrophobicContact CG-CB 4.36Å; S65-A69 PolarHBondContact O-N 3.17Å; V66-A69 PolarHBondContact O-N 3.33Å; Q67-A69 VanDerWaalsContact C-N 3.29Å; Q67-A69 PolarHBondContact O-N 2.87Å; A69-W72 PolarHBondContact O-N 2.82Å; A69-L73 WeakPolarHBondContact O-CG 3.34Å; A69-L73 PolarHBondContact O-N 3.19Å
70	C	96.3	Very high	93.5	Very high	6 Å²	6	50.5 Å²	50.5	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-49.4	172.9	-71.4	0	0	0	0	111.7	L44 M47 V66 Q67 W72 L73 F74	L44-C70 WeakPolarHBondContact CD2-SG 3.46Å; M47-C70 VanDerWaalsContact SD-SG 3.67Å; V66-C70 PolarHBondContact O-N 3.2Å; V66-C70 PolarHBondContact O-SG 3.15Å; V66-C70 VanDerWaalsContact O-SG 3.35Å; Q67-C70 WeakPolarHBondContact O-CB 3.49Å; Q67-C70 PolarHBondContact O-N 2.9Å; Q67-C70 VanDerWaalsContact O-N 3.16Å; C70-W72 VanDerWaalsContact C-N 3.29Å; C70-W72 PolarHBondContact O-N 2.81Å; C70-L73 WeakPolarHBondContact O-CB 3.5Å; C70-L73 PolarHBondContact O-N 3.12Å; C70-L73 VanDerWaalsContact O-N 3.13Å; C70-F74 HydrophobicContact CB-CE2 4.22Å; C70-F74 WeakPolarHBondContact O-CD2 3.49Å; C70-F74 PolarHBondContact O-N 3.14Å
71	D	95.4	Very high	93.2	Very high	76 Å²	76	54.1 Å²	54.1	41%	0.406	31%	0.308	S	S	.	.	H	α-helix	trans	-60.7	-42.5	180	-64.5	-25	0	0	0	110.7	Q67 A68 L73 F74 S75	Q67-D71 VanDerWaalsContact NE2-CG 3.35Å; Q67-D71 PolarHBondContact NE2-OD1 3.36Å; Q67-D71 PolarHBondContact NE2-OD2 3.38Å; Q67-D71 VanDerWaalsContact O-CG 3.25Å; Q67-D71 PolarHBondContact O-N 3.17Å; A68-D71 PolarHBondContact O-N 3.36Å; D71-L73 PolarHBondContact O-N 3.03Å; D71-F74 PolarHBondContact O-N 3.18Å; D71-S75 PolarHBondContact O-N 3.36Å; D71-S75 PolarHBondContact O-OG 3.17Å; D71-S75 VanDerWaalsContact O-OG 3.13Å
72	W	96.2	Very high	93	Very high	34 Å²	34	53.8 Å²	53.8	13%	0.129	31%	0.305	C	S	.	.	H	α-helix	trans	-58.4	-45.9	174	-173.6	90.6	0	0	0	111.9	K56 A57 S60 T61 A68 A69 C70 F74 S75 H76 L82	K56-W72 HydrophobicContact CD-CH2 4.34Å; K56-W72 HydrophobicContact CG-CH2 4Å; K56-W72 HydrophobicContact CG-CZ3 4.41Å; A57-W72 HydrophobicContact CB-CD2 4.36Å; A57-W72 HydrophobicContact CB-CE3 3.52Å; A57-W72 HydrophobicContact CB-CZ3 4.03Å; S60-W72 WeakPolarHBondContact OG-CZ2 3.47Å; T61-W72 HydrophobicContact CG2-CB 3.8Å; T61-W72 HydrophobicContact CG2-CG 4.08Å; A68-W72 WeakPolarHBondContact O-CB 2.98Å; A68-W72 PolarHBondContact O-N 3.47Å; A69-W72 PolarHBondContact O-N 2.82Å; C70-W72 VanDerWaalsContact C-N 3.29Å; C70-W72 PolarHBondContact O-N 2.81Å; W72-F74 VanDerWaalsContact C-N 3.34Å; W72-F74 PolarHBondContact O-N 2.95Å; W72-S75 PolarHBondContact O-N 3.31Å; W72-H76 AromaticContact CD1-CE1 3.46Å; W72-H76 VanDerWaalsContact CD1-CE1 3.46Å; W72-H76 AromaticContact CD1-ND1 3.74Å; W72-H76 AromaticContact CD2-ND1 3.71Å; W72-H76 AromaticContact CE2-CD2 3.75Å; W72-H76 AromaticContact CE2-CE1 3.42Å; W72-H76 VanDerWaalsContact CE2-CE1 3.42Å; W72-H76 AromaticContact CE2-CG 3.73Å; W72-H76 AromaticContact CE2-ND1 3.51Å; W72-H76 AromaticContact CE2-NE2 3.53Å; W72-H76 HydrophobicContact CE3-CB 4.49Å; W72-H76 AromaticContact CG-ND1 3.86Å; W72-H76 HydrophobicContact CH2-CB 4.3Å; W72-H76 HydrophobicContact CZ2-CB 4.46Å; W72-H76 AromaticContact CZ2-CD2 3.45Å; W72-H76 VanDerWaalsContact CZ2-CD2 3.45Å; W72-H76 WeakPolarHBondContact CZ2-CD2 3.48Å; W72-H76 AromaticContact CZ2-CE1 3.94Å; W72-H76 AromaticContact CZ2-CG 3.73Å; W72-H76 AromaticContact CZ2-ND1 4Å; W72-H76 AromaticContact CZ2-NE2 3.57Å; W72-H76 HydrophobicContact CZ3-CB 4.33Å; W72-H76 AromaticContact NE1-CE1 3.03Å; W72-H76 PolarHBondContact NE1-CE1 2.99Å; W72-H76 AromaticContact NE1-ND1 3.52Å; W72-H76 AromaticContact NE1-NE2 3.36Å; W72-H76 PolarHBondContact NE1-NE2 2.82Å; W72-H76 WeakPolarHBondContact O-CB 3.44Å; W72-H76 PolarHBondContact O-N 2.88Å; W72-H76 PolarHBondContact O-ND1 2.81Å; W72-L82 HydrophobicContact CH2-CD1 3.83Å; W72-L82 HydrophobicContact CZ3-CD1 3.71Å
73	L	96.3	Very high	92.9	Very high	6 Å²	6	57.9 Å²	57.9	3%	0.031	32%	0.324	C	S	.	.	H	α-helix	trans	-60.9	-41.3	177.7	-76.3	166.3	0	0	0	112.6	F49 R53 A57 A69 C70 D71 H76 V77	F49-L73 HydrophobicContact CB-CD1 4.35Å; F49-L73 HydrophobicContact CD1-CD1 3.77Å; F49-L73 HydrophobicContact CD2-CD1 4.01Å; F49-L73 HydrophobicContact CE1-CB 4.29Å; F49-L73 HydrophobicContact CE1-CD1 3.97Å; F49-L73 HydrophobicContact CE2-CD1 4.2Å; F49-L73 HydrophobicContact CG-CD1 3.78Å; F49-L73 HydrophobicContact CZ-CD1 4.17Å; R53-L73 HydrophobicContact CB-CD2 3.78Å; A57-L73 HydrophobicContact CB-CD1 3.93Å; A57-L73 HydrophobicContact CB-CD2 3.91Å; A57-L73 HydrophobicContact CB-CG 3.59Å; A69-L73 WeakPolarHBondContact O-CG 3.34Å; A69-L73 PolarHBondContact O-N 3.19Å; C70-L73 WeakPolarHBondContact O-CB 3.5Å; C70-L73 PolarHBondContact O-N 3.12Å; C70-L73 VanDerWaalsContact O-N 3.13Å; D71-L73 PolarHBondContact O-N 3.03Å; L73-H76 PolarHBondContact O-N 3.39Å; L73-V77 WeakPolarHBondContact O-CG2 3.49Å; L73-V77 PolarHBondContact O-N 3.29Å
74	F	95.3	Very high	92.9	Very high	134 Å²	134	59 Å²	59	59%	0.588	32%	0.32	S	S	*	.	H	α-helix	trans	-69.2	-38.9	178.9	-69.3	-54.3	0	0	0	112.2	F49 C70 D71 W72 H76 V77	F49-F74 HydrophobicContact CE1-CE1 4.39Å; F49-F74 HydrophobicContact CE1-CZ 4.47Å; F49-F74 HydrophobicContact CZ-CE1 4.16Å; F49-F74 HydrophobicContact CZ-CE2 4.31Å; F49-F74 AromaticContact CZ-CZ 3.8Å; F49-F74 HydrophobicContact CZ-CZ 3.8Å; C70-F74 HydrophobicContact CB-CE2 4.22Å; C70-F74 WeakPolarHBondContact O-CD2 3.49Å; C70-F74 PolarHBondContact O-N 3.14Å; D71-F74 PolarHBondContact O-N 3.18Å; W72-F74 VanDerWaalsContact C-N 3.34Å; W72-F74 PolarHBondContact O-N 2.95Å; F74-H76 VanDerWaalsContact C-N 3.32Å; F74-H76 PolarHBondContact O-N 3.28Å; F74-V77 VanDerWaalsContact O-CG2 3.31Å; F74-V77 WeakPolarHBondContact O-CG2 3.25Å
75	S	95.3	Very high	92.7	Very high	54 Å²	54	56.7 Å²	56.7	38%	0.378	33%	0.327	S	S	.	.	H	α-helix	trans	-70.6	-28.6	176.9	-58	0	0	0	0	112.8	D71 W72 T302 T303	D71-S75 PolarHBondContact O-N 3.36Å; D71-S75 PolarHBondContact O-OG 3.17Å; D71-S75 VanDerWaalsContact O-OG 3.13Å; W72-S75 PolarHBondContact O-N 3.31Å; S75-T302 WeakPolarHBondContact CB-O 3.33Å; S75-T303 WeakPolarHBondContact O-CA 3.33Å
76	H	95.5	Very high	92.4	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.028	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-92.5	11	-178.4	-72	67.2	0	0	0	114.6	W72 L73 F74 G78 D79 L82 L301 T302 T303	W72-H76 AromaticContact CD1-CE1 3.46Å; W72-H76 VanDerWaalsContact CD1-CE1 3.46Å; W72-H76 AromaticContact CD1-ND1 3.74Å; W72-H76 AromaticContact CD2-ND1 3.71Å; W72-H76 AromaticContact CE2-CD2 3.75Å; W72-H76 AromaticContact CE2-CE1 3.42Å; W72-H76 VanDerWaalsContact CE2-CE1 3.42Å; W72-H76 AromaticContact CE2-CG 3.73Å; W72-H76 AromaticContact CE2-ND1 3.51Å; W72-H76 AromaticContact CE2-NE2 3.53Å; W72-H76 HydrophobicContact CE3-CB 4.49Å; W72-H76 AromaticContact CG-ND1 3.86Å; W72-H76 HydrophobicContact CH2-CB 4.3Å; W72-H76 HydrophobicContact CZ2-CB 4.46Å; W72-H76 AromaticContact CZ2-CD2 3.45Å; W72-H76 VanDerWaalsContact CZ2-CD2 3.45Å; W72-H76 WeakPolarHBondContact CZ2-CD2 3.48Å; W72-H76 AromaticContact CZ2-CE1 3.94Å; W72-H76 AromaticContact CZ2-CG 3.73Å; W72-H76 AromaticContact CZ2-ND1 4Å; W72-H76 AromaticContact CZ2-NE2 3.57Å; W72-H76 HydrophobicContact CZ3-CB 4.33Å; W72-H76 AromaticContact NE1-CE1 3.03Å; W72-H76 PolarHBondContact NE1-CE1 2.99Å; W72-H76 AromaticContact NE1-ND1 3.52Å; W72-H76 AromaticContact NE1-NE2 3.36Å; W72-H76 PolarHBondContact NE1-NE2 2.82Å; W72-H76 WeakPolarHBondContact O-CB 3.44Å; W72-H76 PolarHBondContact O-N 2.88Å; W72-H76 PolarHBondContact O-ND1 2.81Å; L73-H76 PolarHBondContact O-N 3.39Å; F74-H76 VanDerWaalsContact C-N 3.32Å; F74-H76 PolarHBondContact O-N 3.28Å; H76-G78 PolarHBondContact O-N 3.29Å; H76-G78 VanDerWaalsContact O-N 3.12Å; H76-D79 HydrophobicContact CB-CB 4.24Å; H76-D79 IonicContact CD2-OD2 2.68Å; H76-D79 WeakPolarHBondContact O-CB 3.07Å; H76-D79 PolarHBondContact O-N 3.18Å; H76-L82 HydrophobicContact CB-CD1 4.12Å; H76-L301 PolarHBondContact CE1-O 2.93Å; H76-L301 PolarHBondContact NE2-O 3.02Å; H76-T302 VanDerWaalsContact CE1-C 3.48Å; H76-T302 PolarHBondContact CE1-O 2.81Å; H76-T302 PolarHBondContact ND1-O 3.22Å; H76-T303 WeakPolarHBondContact CA-O 3.31Å
77	V	92.5	Very high	92.1	Very high	104 Å²	104	57.5 Å²	57.5	63%	0.63	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-57.9	-29	178.9	173.9	0	0	0	0	112.2	L73 F74	L73-V77 WeakPolarHBondContact O-CG2 3.49Å; L73-V77 PolarHBondContact O-N 3.29Å; F74-V77 VanDerWaalsContact O-CG2 3.31Å; F74-V77 WeakPolarHBondContact O-CG2 3.25Å
78	G	88.6	Confident	92	Very high	48 Å²	48	52.8 Å²	52.8	50%	0.495	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-87.3	-4.6	175.9	0	0	0	0	0	115.6	H76 P80	H76-G78 PolarHBondContact O-N 3.29Å; H76-G78 VanDerWaalsContact O-N 3.12Å; G78-P80 VanDerWaalsContact O-CD 3.32Å; G78-P80 WeakPolarHBondContact O-CD 3.36Å
79	D	92.1	Very high	92	Very high	8 Å²	8	52.9 Å²	52.9	4%	0.043	30%	0.301	C	S	.	.			trans	-70.1	115.8	179.8	-176	-19.3	0	0	0	109.6	H76 F81 L82 R252	H76-D79 HydrophobicContact CB-CB 4.24Å; H76-D79 IonicContact CD2-OD2 2.68Å; H76-D79 WeakPolarHBondContact O-CB 3.07Å; H76-D79 PolarHBondContact O-N 3.18Å; D79-F81 PolarHBondContact O-N 3.25Å; D79-F81 VanDerWaalsContact O-N 3.13Å; D79-F81 WeakPolarHBondContact OD1-CA 3.44Å; D79-F81 PolarHBondContact OD1-N 3.43Å; D79-L82 HydrophobicContact CB-CB 4.23Å; D79-L82 WeakPolarHBondContact O-CB 3.34Å; D79-L82 PolarHBondContact O-N 3.01Å; D79-L82 VanDerWaalsContact O-N 3.08Å; D79-R252 IonicContact OD1-NH1 3.01Å; D79-R252 PolarHBondContact OD1-NH1 3.29Å; D79-R252 IonicContact OD2-CZ 3.64Å; D79-R252 IonicContact OD2-NH1 3.13Å; D79-R252 PolarHBondContact OD2-NH1 2.91Å; D79-R252 IonicContact OD2-NH2 3.81Å; D79-R252 PolarHBondContact OD2-NH2 3.01Å; D79-R252 VanDerWaalsContact OD2-NH2 3.11Å
80	P	89	Confident	92.1	Very high	92 Å²	92	52.9 Å²	52.9	60%	0.597	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-18.2	-178.1	25.6	-32.6	0	0	0	113.2	G78	G78-P80 VanDerWaalsContact O-CD 3.32Å; G78-P80 WeakPolarHBondContact O-CD 3.36Å
81	F	88.5	Confident	92.1	Very high	87 Å²	87	52.6 Å²	52.6	38%	0.382	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	14.4	178.9	-51.4	-83.2	0	0	0	112.4	K56 D79 D83 D84	K56-F81 PolarHBondContact NZ-O 2.91Å; D79-F81 PolarHBondContact O-N 3.25Å; D79-F81 VanDerWaalsContact O-N 3.13Å; D79-F81 WeakPolarHBondContact OD1-CA 3.44Å; D79-F81 PolarHBondContact OD1-N 3.43Å; F81-D83 VanDerWaalsContact C-N 3.27Å; F81-D83 PolarHBondContact O-N 2.88Å; F81-D84 HydrophobicContact CB-CB 4.37Å; F81-D84 WeakPolarHBondContact CD1-OD2 3.42Å; F81-D84 PolarHBondContact O-N 2.92Å
82	L	90.6	Very high	92.2	Very high	7 Å²	7	49 Å²	49	4%	0.037	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-42.7	-178.1	179.5	60.1	0	0	0	111.9	R53 K56 W72 H76 D79	R53-L82 HydrophobicContact CG-CG 4.47Å; K56-L82 WeakPolarHBondContact CD-O 3.33Å; K56-L82 PolarHBondContact NZ-O 3.49Å; W72-L82 HydrophobicContact CH2-CD1 3.83Å; W72-L82 HydrophobicContact CZ3-CD1 3.71Å; H76-L82 HydrophobicContact CB-CD1 4.12Å; D79-L82 HydrophobicContact CB-CB 4.23Å; D79-L82 WeakPolarHBondContact O-CB 3.34Å; D79-L82 PolarHBondContact O-N 3.01Å; D79-L82 VanDerWaalsContact O-N 3.08Å
83	D	90.2	Very high	92.2	Very high	101 Å²	101	47.6 Å²	47.6	54%	0.54	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-6.7	-177.6	-69.7	-48	0	0	0	114.4	R53 F81	R53-D83 IonicContact CZ-OD1 2.69Å; R53-D83 VanDerWaalsContact CZ-OD1 3.31Å; R53-D83 IonicContact CZ-OD2 3.19Å; R53-D83 IonicContact NE-OD1 2.85Å; R53-D83 PolarHBondContact NE-OD1 3.35Å; R53-D83 IonicContact NE-OD2 3.23Å; R53-D83 VanDerWaalsContact NH2-CG 3.29Å; R53-D83 IonicContact NH2-OD1 3.17Å; R53-D83 PolarHBondContact NH2-OD1 3.16Å; R53-D83 VanDerWaalsContact NH2-OD1 3.11Å; R53-D83 IonicContact NH2-OD2 2.77Å; R53-D83 PolarHBondContact NH2-OD2 3.42Å; F81-D83 VanDerWaalsContact C-N 3.27Å; F81-D83 PolarHBondContact O-N 2.88Å
84	D	89.2	Confident	92.2	Very high	68 Å²	68	47.3 Å²	47.3	36%	0.364	27%	0.273	S	S	.	.	S	Bend	trans	-72.3	136.8	-178.4	-74.4	12.7	0	0	0	110.9	K56 F81 L86	K56-D84 PolarHBondContact NZ-O 3.35Å; F81-D84 HydrophobicContact CB-CB 4.37Å; F81-D84 WeakPolarHBondContact CD1-OD2 3.42Å; F81-D84 PolarHBondContact O-N 2.92Å; D84-L86 HydrophobicContact CB-CD1 4.17Å; D84-L86 HydrophobicContact CB-CG 3.96Å; D84-L86 PolarHBondContact O-N 3.27Å
85	P	84.5	Confident	92.1	Very high	127 Å²	127	44.4 Å²	44.4	83%	0.825	26%	0.258	S	S	*	.			trans	-79.8	53.4	-179.6	35.5	-37.2	0	0	0	111.2	P87	P85-P87 WeakPolarHBondContact O-CD 3.38Å
86	L	86.6	Confident	92.1	Very high	62 Å²	62	42.3 Å²	42.3	33%	0.325	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-84.8	116.4	178.4	-63.9	174.8	0	0	0	109.5	D84 R252	D84-L86 HydrophobicContact CB-CD1 4.17Å; D84-L86 HydrophobicContact CB-CG 3.96Å; D84-L86 PolarHBondContact O-N 3.27Å; L86-R252 HydrophobicContact CD1-CG 4Å
87	P	86.6	Confident	91.8	Very high	42 Å²	42	43.8 Å²	43.8	27%	0.273	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-69.8	157.1	176.5	25.8	-28.7	0	0	0	111	P85 M134 C135 I251	P85-P87 WeakPolarHBondContact O-CD 3.38Å; P87-M134 VanDerWaalsContact C-CE 3.49Å; P87-M134 HydrophobicContact CB-CB 4.46Å; P87-M134 HydrophobicContact CB-CE 3.81Å; P87-M134 HydrophobicContact CG-CB 4.37Å; P87-M134 HydrophobicContact CG-CE 3.59Å; P87-M134 WeakPolarHBondContact O-CE 3.11Å; P87-C135 WeakPolarHBondContact CB-O 3.2Å; P87-I251 VanDerWaalsContact O-CG2 3.23Å; P87-I251 WeakPolarHBondContact O-CG2 3.47Å
88	R	92.7	Very high	91.7	Very high	18 Å²	18	41.1 Å²	41.1	7%	0.068	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	155	171.3	-59	-178.9	68.9	81.1	7.9	110.5	S60 Y90 M134 C135 S248 I324	S60-R88 PolarHBondContact OG-NH1 2.78Å; R88-Y90 HydrophobicContact CB-CD2 4.37Å; R88-Y90 HydrophobicContact CB-CE2 3.6Å; R88-Y90 VanDerWaalsContact O-CD2 3.26Å; R88-Y90 WeakPolarHBondContact O-CD2 3.37Å; R88-Y90 WeakPolarHBondContact O-CE2 3.37Å; R88-M134 VanDerWaalsContact C-CE 3.44Å; R88-M134 VanDerWaalsContact O-CE 3.29Å; R88-M134 WeakPolarHBondContact O-CE 3.46Å; R88-C135 PolarHBondContact O-N 3.49Å; R88-S248 PolarHBondContact NE-OG 2.96Å; R88-I324 VanDerWaalsContact NH2-CG1 3.32Å
89	E	95.3	Very high	91.8	Very high	30 Å²	30	42.5 Å²	42.5	14%	0.14	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	126.4	176.2	-162.4	-175.1	-136.5	0	0	109.5	F132 M134 S248 R249 I251	E89-F132 VanDerWaalsContact CD-CB 3.44Å; E89-F132 HydrophobicContact CG-CB 3.67Å; E89-F132 HydrophobicContact CG-CD1 3.74Å; E89-F132 HydrophobicContact CG-CG 4.06Å; E89-F132 WeakPolarHBondContact OE1-CB 3.43Å; E89-F132 WeakPolarHBondContact OE2-CD1 3.39Å; E89-M134 HydrophobicContact CB-CE 4.28Å; E89-M134 HydrophobicContact CB-SD 3.69Å; E89-M134 HydrophobicContact CG-SD 3.69Å; E89-S248 CarbonylContact O-C 3.55Å; E89-S248 WeakPolarHBondContact O-CA 3.36Å; E89-S248 WeakPolarHBondContact O-CB 3.41Å; E89-R249 HydrophobicContact CB-CG 4.27Å; E89-R249 PolarHBondContact N-O 3.42Å; E89-R249 PolarHBondContact O-N 2.83Å; E89-R249 IonicContact OE1-NH2 3.16Å; E89-R249 IonicContact OE2-CZ 3.52Å; E89-R249 IonicContact OE2-NE 3.35Å; E89-R249 PolarHBondContact OE2-NE 3.28Å; E89-R249 IonicContact OE2-NH2 3.62Å; E89-R249 PolarHBondContact OE2-NH2 2.73Å; E89-I251 HydrophobicContact CB-CD1 4.14Å; E89-I251 HydrophobicContact CG-CD1 4.41Å
90	Y	96.8	Very high	91.8	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	154.5	-173.6	-67.7	-99.9	0	0	0	111.6	R88 F132 F133 C135 V140 L143 I246 F247 H326	R88-Y90 HydrophobicContact CB-CD2 4.37Å; R88-Y90 HydrophobicContact CB-CE2 3.6Å; R88-Y90 VanDerWaalsContact O-CD2 3.26Å; R88-Y90 WeakPolarHBondContact O-CD2 3.37Å; R88-Y90 WeakPolarHBondContact O-CE2 3.37Å; Y90-F132 CarbonylContact O-C 3.59Å; Y90-F132 VanDerWaalsContact O-CA 3.29Å; Y90-F132 WeakPolarHBondContact O-CA 3.3Å; Y90-F133 HydrophobicContact CG-CE2 4.36Å; Y90-F133 PolarHBondContact N-O 3.3Å; Y90-F133 WeakPolarHBondContact O-CD1 3.38Å; Y90-F133 PolarHBondContact O-N 2.95Å; Y90-C135 HydrophobicContact CD2-CB 3.57Å; Y90-C135 HydrophobicContact CE2-CB 3.57Å; Y90-C135 HydrophobicContact CG-CB 4.4Å; Y90-V140 HydrophobicContact CE1-CG1 4.43Å; Y90-V140 WeakPolarHBondContact OH-CG2 3.27Å; Y90-L143 HydrophobicContact CD1-CD2 4.04Å; Y90-L143 HydrophobicContact CE1-CD2 4.44Å; Y90-L143 HydrophobicContact CG-CD2 4.23Å; Y90-I246 HydrophobicContact CD1-CG2 3.74Å; Y90-F247 CarbonylContact C-O 3.3Å; Y90-F247 VanDerWaalsContact CA-O 3.27Å; Y90-F247 WeakPolarHBondContact CA-O 3.48Å; Y90-H326 AromaticContact CE1-CD2 3.7Å; Y90-H326 AromaticContact CE1-CE1 3.69Å; Y90-H326 AromaticContact CE1-NE2 3.43Å; Y90-H326 WeakPolarHBondContact CE1-NE2 3.36Å
91	V	96.9	Very high	92	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.006	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	142.7	173.8	67.8	0	0	0	0	111	Y93 F132 I246 F247 W323	V91-Y93 HydrophobicContact CB-CE1 4.23Å; V91-Y93 HydrophobicContact CG1-CD1 4.38Å; V91-Y93 HydrophobicContact CG1-CD2 4.42Å; V91-Y93 HydrophobicContact CG1-CE1 3.93Å; V91-Y93 HydrophobicContact CG1-CE2 3.99Å; V91-Y93 HydrophobicContact CG2-CD1 3.8Å; V91-Y93 HydrophobicContact CG2-CE1 3.26Å; V91-F132 HydrophobicContact CB-CD1 3.69Å; V91-F132 HydrophobicContact CB-CE1 3.65Å; V91-F132 HydrophobicContact CB-CG 4.32Å; V91-F132 HydrophobicContact CB-CZ 4.23Å; V91-F132 HydrophobicContact CG1-CD1 4.21Å; V91-F132 HydrophobicContact CG1-CE1 3.64Å; V91-F132 HydrophobicContact CG1-CZ 4.1Å; V91-F132 HydrophobicContact CG2-CD1 4.43Å; V91-F132 HydrophobicContact CG2-CE1 4.41Å; V91-I246 WeakPolarHBondContact O-CA 3.48Å; V91-F247 HydrophobicContact CG1-CB 4.17Å; V91-F247 PolarHBondContact N-O 3.28Å; V91-F247 PolarHBondContact O-N 2.93Å; V91-W323 HydrophobicContact CG1-CZ3 3.92Å
92	L	97.4	Very high	92.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	121.7	174	-179.7	68	0	0	0	110.3	L129 C130 L147 F188 F192 A244 I246	L92-L129 HydrophobicContact CD2-CB 4.3Å; L92-L129 HydrophobicContact CD2-CD1 4.02Å; L92-L129 HydrophobicContact CG-CB 4.32Å; L92-L129 HydrophobicContact CG-CD1 4.06Å; L92-L129 WeakPolarHBondContact O-CB 3.48Å; L92-L129 PolarHBondContact O-N 3.11Å; L92-L129 VanDerWaalsContact O-N 3.13Å; L92-C130 PolarHBondContact N-SG 2.85Å; L92-L147 HydrophobicContact CD1-CD1 3.72Å; L92-L147 HydrophobicContact CD1-CD2 3.97Å; L92-L147 HydrophobicContact CD2-CD1 4.3Å; L92-F188 HydrophobicContact CD2-CE1 4.26Å; L92-F192 HydrophobicContact CB-CE1 4.19Å; L92-F192 HydrophobicContact CD2-CB 4.28Å; L92-F192 HydrophobicContact CD2-CD1 3.48Å; L92-F192 VanDerWaalsContact CD2-CD1 3.48Å; L92-F192 HydrophobicContact CD2-CD2 4.47Å; L92-F192 HydrophobicContact CD2-CE1 3.86Å; L92-F192 HydrophobicContact CD2-CG 3.81Å; L92-F192 HydrophobicContact CD2-CZ 4.5Å; L92-A244 HydrophobicContact CD1-CB 4.37Å; L92-I246 HydrophobicContact CD1-CG1 3.82Å
93	Y	97.3	Very high	92.4	Very high	5 Å²	5	43.8 Å²	43.8	2%	0.02	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	152.8	176.4	-68.9	-20.5	0	0	0	112.4	V91 I123 F124 H126 I127 T128 A244 T245 F247 W323	V91-Y93 HydrophobicContact CB-CE1 4.23Å; V91-Y93 HydrophobicContact CG1-CD1 4.38Å; V91-Y93 HydrophobicContact CG1-CD2 4.42Å; V91-Y93 HydrophobicContact CG1-CE1 3.93Å; V91-Y93 HydrophobicContact CG1-CE2 3.99Å; V91-Y93 HydrophobicContact CG2-CD1 3.8Å; V91-Y93 HydrophobicContact CG2-CE1 3.26Å; Y93-I123 HydrophobicContact CE2-CG2 4.01Å; Y93-F124 AromaticContact CD2-CE2 3.92Å; Y93-F124 HydrophobicContact CD2-CE2 3.92Å; Y93-F124 HydrophobicContact CD2-CZ 4.01Å; Y93-F124 HydrophobicContact CE2-CE2 4.43Å; Y93-F124 HydrophobicContact CE2-CZ 4.31Å; Y93-H126 AromaticContact CD1-CD2 3.55Å; Y93-H126 HydrophobicContact CD2-CB 4.14Å; Y93-H126 AromaticContact CD2-CD2 3.66Å; Y93-H126 AromaticContact CD2-CG 3.86Å; Y93-H126 AromaticContact CE1-CD2 3.53Å; Y93-H126 AromaticContact CE1-NE2 3.71Å; Y93-H126 AromaticContact CE2-CD2 3.6Å; Y93-H126 AromaticContact CE2-CG 4Å; Y93-H126 AromaticContact CE2-NE2 3.74Å; Y93-H126 HydrophobicContact CG-CB 4.22Å; Y93-H126 AromaticContact CG-CD2 3.62Å; Y93-H126 AromaticContact CZ-CD2 3.58Å; Y93-H126 AromaticContact CZ-NE2 3.47Å; Y93-I127 WeakPolarHBondContact CA-O 3.41Å; Y93-T128 HydrophobicContact CD1-CG2 4.35Å; Y93-T128 HydrophobicContact CE1-CG2 3.88Å; Y93-T128 WeakPolarHBondContact CE1-OG1 3.4Å; Y93-A244 WeakPolarHBondContact O-CA 3.44Å; Y93-T245 PolarHBondContact N-O 3.37Å; Y93-T245 PolarHBondContact O-N 3.21Å; Y93-F247 HydrophobicContact CD2-CD2 4.05Å; Y93-F247 HydrophobicContact CD2-CE2 4.4Å; Y93-W323 HydrophobicContact CE2-CE3 4.46Å; Y93-W323 HydrophobicContact CE2-CH2 4.14Å; Y93-W323 AromaticContact CE2-CZ3 3.47Å; Y93-W323 HydrophobicContact CE2-CZ3 3.47Å; Y93-W323 VanDerWaalsContact CE2-CZ3 3.47Å; Y93-W323 AromaticContact CZ-CZ3 3.84Å; Y93-W323 VanDerWaalsContact OH-CH2 3.32Å; Y93-W323 WeakPolarHBondContact OH-CH2 3.41Å; Y93-W323 WeakPolarHBondContact OH-CZ3 3.37Å
94	L	95.1	Very high	92.7	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	118.8	164.3	-155.4	72.3	0	0	0	108.9	I127 L129 F158 L185 W242 A244 I331	L94-I127 HydrophobicContact CB-CB 4.11Å; L94-I127 HydrophobicContact CD2-CD1 4.4Å; L94-I127 PolarHBondContact N-O 3Å; L94-I127 PolarHBondContact O-N 3.25Å; L94-L129 HydrophobicContact CB-CD1 4.07Å; L94-L129 HydrophobicContact CB-CD2 4.44Å; L94-L129 HydrophobicContact CB-CG 4.26Å; L94-L129 HydrophobicContact CD1-CD1 4.32Å; L94-F158 HydrophobicContact CD1-CE2 3.94Å; L94-F158 HydrophobicContact CD2-CD2 4.48Å; L94-F158 HydrophobicContact CD2-CE2 3.96Å; L94-L185 HydrophobicContact CD2-CD1 4.23Å; L94-L185 HydrophobicContact CD2-CD2 3.94Å; L94-W242 HydrophobicContact CB-CE3 4.24Å; L94-W242 HydrophobicContact CD1-CB 4.11Å; L94-W242 HydrophobicContact CD2-CB 3.8Å; L94-W242 HydrophobicContact CD2-CD2 3.89Å; L94-W242 HydrophobicContact CD2-CE3 3.71Å; L94-W242 HydrophobicContact CD2-CG 3.97Å; L94-W242 HydrophobicContact CG-CB 3.83Å; L94-W242 HydrophobicContact CG-CD2 4.22Å; L94-W242 HydrophobicContact CG-CE3 3.71Å; L94-W242 HydrophobicContact CG-CG 4.32Å; L94-A244 HydrophobicContact CD1-CB 4.34Å; L94-I331 HydrophobicContact CD1-CD1 3.55Å
95	R	94.6	Very high	92.9	Very high	72 Å²	72	37.8 Å²	37.8	27%	0.272	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	134.6	-178.4	-68.6	-170.2	66.8	179.3	-2.2	111.3	F124 H126 W242 V243	R95-F124 VanDerWaalsContact CD-CE2 3.46Å; R95-F124 HydrophobicContact CG-CD2 4.37Å; R95-F124 HydrophobicContact CG-CE2 3.97Å; R95-H126 HydrophobicContact CG-CB 4.42Å; R95-W242 WeakPolarHBondContact O-CA 3.33Å; R95-V243 PolarHBondContact N-O 2.72Å; R95-V243 PolarHBondContact O-N 3.01Å
96	P	93.5	Very high	93.4	Very high	11 Å²	11	33.8 Å²	33.8	7%	0.071	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	151.3	171.3	31.2	-31	0	0	0	109.6	A101 L104 W242	P96-A101 HydrophobicContact CB-CB 4.29Å; P96-A101 HydrophobicContact CG-CB 4.36Å; P96-A101 WeakPolarHBondContact O-CB 3.2Å; P96-L104 HydrophobicContact CB-CD1 4.21Å; P96-L104 HydrophobicContact CG-CD1 3.51Å; P96-W242 HydrophobicContact CB-CE3 4.22Å; P96-W242 HydrophobicContact CB-CH2 4.04Å; P96-W242 HydrophobicContact CB-CZ2 4.39Å; P96-W242 HydrophobicContact CB-CZ3 3.94Å; P96-W242 HydrophobicContact CG-CH2 4.37Å; P96-W242 HydrophobicContact CG-CZ3 4.16Å
97	T	91	Very high	93.8	Very high	36 Å²	36	31.1 Å²	31.1	22%	0.221	18%	0.178	C	C	.	.			trans	-128.3	175.6	171.3	62.7	0	0	0	0	110.9	C240 D241 V243	T97-C240 WeakPolarHBondContact O-CB 3.45Å; T97-D241 PolarHBondContact N-O 3.5Å; T97-D241 WeakPolarHBondContact OG1-CB 3.46Å; T97-D241 PolarHBondContact OG1-O 3.38Å; T97-V243 HydrophobicContact CG2-CB 4.43Å; T97-V243 HydrophobicContact CG2-CG2 3.55Å
98	G	90.1	Very high	94.2	Very high	49 Å²	49	30.7 Å²	30.7	51%	0.505	17%	0.171	S	C	.	.	H	α-helix	trans	64.4	-146.3	175	0	0	0	0	0	113.9	L100 A101 Q102	G98-L100 PolarHBondContact O-N 3.45Å; G98-A101 WeakPolarHBondContact O-CB 3.39Å; G98-A101 PolarHBondContact O-N 3.12Å; G98-Q102 PolarHBondContact O-N 2.94Å; G98-Q102 VanDerWaalsContact O-N 3.14Å
99	P	90.4	Very high	94.2	Very high	77 Å²	77	35.4 Å²	35.4	50%	0.5	19%	0.194	S	C	.	.	H	α-helix	trans	-61.5	-40	-168.9	-26.4	35.6	0	0	0	115	A101 Q102 K103 L238	P99-A101 VanDerWaalsContact C-N 3.35Å; P99-Q102 WeakPolarHBondContact O-CB 3.4Å; P99-Q102 PolarHBondContact O-N 3.39Å; P99-K103 PolarHBondContact O-N 3.01Å; P99-K103 VanDerWaalsContact O-N 3.12Å; P99-L238 HydrophobicContact CB-CB 4.25Å; P99-L238 HydrophobicContact CB-CD1 4.34Å
100	L	92.3	Very high	94.2	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.016	21%	0.206	C	C	.	.	H	α-helix	trans	-65.3	-40.6	177.4	-177.2	59.4	0	0	0	111.4	G98 Q102 K103 L104 L164 I234 C240 W242	G98-L100 PolarHBondContact O-N 3.45Å; L100-Q102 VanDerWaalsContact C-N 3.27Å; L100-Q102 PolarHBondContact O-N 3.47Å; L100-K103 PolarHBondContact O-N 2.94Å; L100-L104 HydrophobicContact CD1-CG 4.44Å; L100-L104 HydrophobicContact CG-CD1 4.06Å; L100-L104 HydrophobicContact CG-CG 4.44Å; L100-L104 WeakPolarHBondContact O-CG 3.42Å; L100-L104 PolarHBondContact O-N 3.29Å; L100-L164 HydrophobicContact CD2-CD1 3.97Å; L100-I234 HydrophobicContact CD1-CG2 4.13Å; L100-C240 HydrophobicContact CB-CB 3.92Å; L100-C240 VanDerWaalsContact CD2-SG 3.57Å; L100-W242 HydrophobicContact CD2-CZ2 4.23Å
101	A	92.7	Very high	94.1	Very high	27 Å²	27	38.1 Å²	38.1	22%	0.223	21%	0.206	C	C	.	.	H	α-helix	trans	-60.9	-38.8	176.6	0	0	0	0	0	111.7	P96 G98 P99 L104 S105	P96-A101 HydrophobicContact CB-CB 4.29Å; P96-A101 HydrophobicContact CG-CB 4.36Å; P96-A101 WeakPolarHBondContact O-CB 3.2Å; G98-A101 WeakPolarHBondContact O-CB 3.39Å; G98-A101 PolarHBondContact O-N 3.12Å; P99-A101 VanDerWaalsContact C-N 3.35Å; A101-L104 PolarHBondContact O-N 3.46Å; A101-S105 WeakPolarHBondContact O-CB 3.4Å; A101-S105 PolarHBondContact O-N 2.99Å
102	Q	92.8	Very high	93.9	Very high	107 Å²	107	41.6 Å²	41.6	50%	0.5	22%	0.221	S	C	.	.	H	α-helix	trans	-62	-46.7	174.3	-171.7	60.9	49.5	0	0	111.3	G98 P99 L100 L104 S105 D106	G98-Q102 PolarHBondContact O-N 2.94Å; G98-Q102 VanDerWaalsContact O-N 3.14Å; P99-Q102 WeakPolarHBondContact O-CB 3.4Å; P99-Q102 PolarHBondContact O-N 3.39Å; L100-Q102 VanDerWaalsContact C-N 3.27Å; L100-Q102 PolarHBondContact O-N 3.47Å; Q102-L104 VanDerWaalsContact C-N 3.32Å; Q102-L104 PolarHBondContact O-N 2.96Å; Q102-S105 CarbonylContact O-C 3.51Å; Q102-S105 WeakPolarHBondContact O-CB 3.4Å; Q102-S105 PolarHBondContact O-N 3.18Å; Q102-S105 VanDerWaalsContact O-N 3.11Å; Q102-D106 PolarHBondContact NE2-OD1 3.32Å; Q102-D106 PolarHBondContact O-N 3.27Å
103	K	94.9	Very high	93.6	Very high	84 Å²	84	49.4 Å²	49.4	37%	0.365	26%	0.258	S	S	.	.	H	α-helix	trans	-61.9	-38.4	177.6	-69	-58.1	-175.7	-174	0	113.4	P99 L100 D106 F107 I234 L238	P99-K103 PolarHBondContact O-N 3.01Å; P99-K103 VanDerWaalsContact O-N 3.12Å; L100-K103 PolarHBondContact O-N 2.94Å; K103-D106 PolarHBondContact O-N 2.81Å; K103-F107 PolarHBondContact O-N 3.11Å; K103-I234 HydrophobicContact CB-CG2 4.24Å; K103-L238 HydrophobicContact CG-CD1 3.77Å
104	L	95.5	Very high	93.3	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.282	C	S	.	.	H	α-helix	trans	-66.3	-39.1	174.2	-68.4	168.6	0	0	0	111.5	P96 L100 A101 Q102 W108 P125 L175 V213 L215 I234	P96-L104 HydrophobicContact CB-CD1 4.21Å; P96-L104 HydrophobicContact CG-CD1 3.51Å; L100-L104 HydrophobicContact CD1-CG 4.44Å; L100-L104 HydrophobicContact CG-CD1 4.06Å; L100-L104 HydrophobicContact CG-CG 4.44Å; L100-L104 WeakPolarHBondContact O-CG 3.42Å; L100-L104 PolarHBondContact O-N 3.29Å; A101-L104 PolarHBondContact O-N 3.46Å; Q102-L104 VanDerWaalsContact C-N 3.32Å; Q102-L104 PolarHBondContact O-N 2.96Å; L104-W108 VanDerWaalsContact O-CB 3.27Å; L104-W108 WeakPolarHBondContact O-CB 3.41Å; L104-W108 PolarHBondContact O-N 3.21Å; L104-P125 HydrophobicContact CB-CB 3.98Å; L104-P125 HydrophobicContact CB-CG 3.97Å; L104-P125 HydrophobicContact CD1-CB 4.13Å; L104-P125 HydrophobicContact CG-CB 4.5Å; L104-L175 HydrophobicContact CD2-CD1 3.85Å; L104-V213 HydrophobicContact CD2-CG1 4.37Å; L104-L215 HydrophobicContact CD2-CD2 3.58Å; L104-I234 HydrophobicContact CD2-CD1 4.26Å; L104-I234 HydrophobicContact CD2-CG2 4.28Å
105	S	93.6	Very high	93.1	Very high	42 Å²	42	54.7 Å²	54.7	29%	0.294	29%	0.286	S	S	.	.	H	α-helix	trans	-65.4	-41.9	174.2	-172.4	0	0	0	0	112.2	A101 Q102 W108 Q109	A101-S105 WeakPolarHBondContact O-CB 3.4Å; A101-S105 PolarHBondContact O-N 2.99Å; Q102-S105 CarbonylContact O-C 3.51Å; Q102-S105 WeakPolarHBondContact O-CB 3.4Å; Q102-S105 PolarHBondContact O-N 3.18Å; Q102-S105 VanDerWaalsContact O-N 3.11Å; S105-W108 WeakPolarHBondContact O-CB 3.24Å; S105-W108 PolarHBondContact O-N 3.02Å; S105-Q109 WeakPolarHBondContact O-CG 3.37Å; S105-Q109 PolarHBondContact O-N 3.09Å
106	D	94.8	Very high	92.9	Very high	43 Å²	43	52.9 Å²	52.9	23%	0.23	29%	0.29	C	S	.	.	H	α-helix	trans	-61.7	-47.4	177	-62.9	-16.2	0	0	0	110.3	Q102 K103 W108 Q109 Q110	Q102-D106 PolarHBondContact NE2-OD1 3.32Å; Q102-D106 PolarHBondContact O-N 3.27Å; K103-D106 PolarHBondContact O-N 2.81Å; D106-W108 VanDerWaalsContact C-N 3.32Å; D106-W108 PolarHBondContact O-N 3Å; D106-Q109 PolarHBondContact O-N 2.79Å; D106-Q110 WeakPolarHBondContact O-CB 3.35Å; D106-Q110 VanDerWaalsContact O-CG 3.24Å; D106-Q110 WeakPolarHBondContact O-CG 3.42Å; D106-Q110 PolarHBondContact O-N 2.77Å
107	F	96.1	Very high	92.7	Very high	6 Å²	6	56.4 Å²	56.4	3%	0.026	30%	0.304	C	S	.	.	H	α-helix	trans	-57.3	-46.8	174.2	170.9	-86.7	0	0	0	111.4	K103 Q109 Q110 S111 L215 L230 A231 I234	K103-F107 PolarHBondContact O-N 3.11Å; F107-Q109 PolarHBondContact O-N 2.97Å; F107-Q110 PolarHBondContact O-N 2.96Å; F107-S111 VanDerWaalsContact O-CB 3.24Å; F107-S111 WeakPolarHBondContact O-CB 3.27Å; F107-S111 PolarHBondContact O-N 3.45Å; F107-S111 PolarHBondContact O-OG 2.92Å; F107-L215 HydrophobicContact CD1-CB 4.35Å; F107-L215 HydrophobicContact CD1-CD2 4.15Å; F107-L215 HydrophobicContact CE1-CB 3.64Å; F107-L215 HydrophobicContact CE1-CD2 4.29Å; F107-L215 HydrophobicContact CE1-CG 4.42Å; F107-L215 WeakPolarHBondContact CE1-O 3.44Å; F107-L215 HydrophobicContact CZ-CB 3.89Å; F107-L230 HydrophobicContact CD2-CB 3.67Å; F107-L230 HydrophobicContact CE2-CB 3.64Å; F107-A231 HydrophobicContact CD2-CB 4.44Å; F107-A231 HydrophobicContact CE2-CB 3.85Å; F107-I234 HydrophobicContact CB-CD1 3.85Å; F107-I234 HydrophobicContact CB-CG1 4.12Å; F107-I234 HydrophobicContact CD1-CD1 4.47Å; F107-I234 HydrophobicContact CD2-CD1 3.83Å; F107-I234 HydrophobicContact CD2-CG1 4.38Å; F107-I234 HydrophobicContact CG-CD1 3.77Å; F107-I234 HydrophobicContact CG-CG1 4.45Å
108	W	93.8	Very high	92.8	Very high	33 Å²	33	55.1 Å²	55.1	13%	0.125	30%	0.296	C	S	.	.	H	α-helix	trans	-60	-46.1	-178.9	-179.9	-80	0	0	0	112.1	L104 S105 D106 S111 K112 A120 H121 I123 P125	L104-W108 VanDerWaalsContact O-CB 3.27Å; L104-W108 WeakPolarHBondContact O-CB 3.41Å; L104-W108 PolarHBondContact O-N 3.21Å; S105-W108 WeakPolarHBondContact O-CB 3.24Å; S105-W108 PolarHBondContact O-N 3.02Å; D106-W108 VanDerWaalsContact C-N 3.32Å; D106-W108 PolarHBondContact O-N 3Å; W108-S111 PolarHBondContact O-OG 3.46Å; W108-S111 VanDerWaalsContact O-OG 3.14Å; W108-K112 WeakPolarHBondContact O-CB 3.47Å; W108-K112 PolarHBondContact O-N 2.82Å; W108-A120 WeakPolarHBondContact CH2-O 3.29Å; W108-A120 HydrophobicContact CZ3-CB 4.5Å; W108-A120 WeakPolarHBondContact CZ3-O 3.4Å; W108-H121 AromaticContact CD2-CD2 3.74Å; W108-H121 AromaticContact CE2-CD2 3.74Å; W108-H121 VanDerWaalsContact CH2-C 3.43Å; W108-H121 HydrophobicContact CH2-CB 4.42Å; W108-H121 HydrophobicContact CZ2-CB 4.08Å; W108-H121 WeakPolarHBondContact CZ2-O 3.49Å; W108-H121 AromaticContact NE1-CD2 3.85Å; W108-H121 PolarHBondContact O-NE2 3.02Å; W108-I123 WeakPolarHBondContact CH2-O 3.28Å; W108-I123 WeakPolarHBondContact CZ3-O 3.29Å; W108-P125 HydrophobicContact CE3-CG 3.9Å; W108-P125 HydrophobicContact CZ3-CG 4.33Å
109	Q	92.9	Very high	92.8	Very high	117 Å²	117	57.9 Å²	57.9	55%	0.547	29%	0.294	S	S	.	.	H	α-helix	trans	-67.7	-46.9	178.5	-70.9	174.8	-21.1	0	0	111.7	S105 D106 F107 K112 Q113	S105-Q109 WeakPolarHBondContact O-CG 3.37Å; S105-Q109 PolarHBondContact O-N 3.09Å; D106-Q109 PolarHBondContact O-N 2.79Å; F107-Q109 PolarHBondContact O-N 2.97Å; Q109-K112 PolarHBondContact O-N 3.24Å; Q109-Q113 WeakPolarHBondContact O-CB 3.42Å; Q109-Q113 PolarHBondContact O-N 3.45Å
110	Q	95.3	Very high	92.9	Very high	87 Å²	87	54.5 Å²	54.5	41%	0.407	27%	0.273	S	S	.	.	H	α-helix	trans	-65.8	-41.4	-178.6	-70.9	175.9	19.4	0	0	112.3	D106 F107 Q113 I114 L230	D106-Q110 WeakPolarHBondContact O-CB 3.35Å; D106-Q110 VanDerWaalsContact O-CG 3.24Å; D106-Q110 WeakPolarHBondContact O-CG 3.42Å; D106-Q110 PolarHBondContact O-N 2.77Å; F107-Q110 PolarHBondContact O-N 2.96Å; Q110-Q113 PolarHBondContact O-N 3.35Å; Q110-I114 HydrophobicContact CB-CD1 4.48Å; Q110-I114 WeakPolarHBondContact O-CB 3.28Å; Q110-I114 VanDerWaalsContact O-CG1 3.31Å; Q110-I114 WeakPolarHBondContact O-CG1 3.47Å; Q110-I114 PolarHBondContact O-N 3.48Å; Q110-L230 HydrophobicContact CB-CD1 4.42Å; Q110-L230 HydrophobicContact CB-CD2 4.37Å
111	S	95.4	Very high	93	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.5	-39.6	177.2	59.8	0	0	0	0	111.9	F107 W108 C115 H121	F107-S111 VanDerWaalsContact O-CB 3.24Å; F107-S111 WeakPolarHBondContact O-CB 3.27Å; F107-S111 PolarHBondContact O-N 3.45Å; F107-S111 PolarHBondContact O-OG 2.92Å; W108-S111 PolarHBondContact O-OG 3.46Å; W108-S111 VanDerWaalsContact O-OG 3.14Å; S111-C115 WeakPolarHBondContact O-CA 2.83Å; S111-C115 WeakPolarHBondContact O-CB 3.14Å; S111-C115 PolarHBondContact O-N 3.27Å; S111-H121 PolarHBondContact OG-NE2 3.22Å
112	K	91.9	Very high	92.9	Very high	74 Å²	74	55 Å²	55	32%	0.322	27%	0.272	S	S	.	.	H	α-helix	trans	-62.9	-40.3	172.8	-164	170.6	-177.4	173.1	0	112.2	W108 Q109 G116 H121 D318	W108-K112 WeakPolarHBondContact O-CB 3.47Å; W108-K112 PolarHBondContact O-N 2.82Å; Q109-K112 PolarHBondContact O-N 3.24Å; K112-G116 CarbonylContact O-C 3.49Å; K112-G116 WeakPolarHBondContact O-CA 3.32Å; K112-G116 PolarHBondContact O-N 2.87Å; K112-G116 VanDerWaalsContact O-N 3.11Å; K112-H121 PolarHBondContact N-NE2 2.92Å; K112-D318 IonicContact NZ-OD1 3.46Å; K112-D318 PolarHBondContact NZ-OD1 2.91Å; K112-D318 VanDerWaalsContact NZ-OD1 3.15Å; K112-D318 IonicContact NZ-OD2 3.78Å; K112-D318 PolarHBondContact NZ-OD2 2.69Å
113	Q	91.7	Very high	92.9	Very high	164 Å²	164	51.5 Å²	51.5	77%	0.766	26%	0.256	S	S	*	.	H	α-helix	trans	-71.1	-45.1	-179.1	-174.2	179.1	11.1	0	0	112.8	Q109 Q110	Q109-Q113 WeakPolarHBondContact O-CB 3.42Å; Q109-Q113 PolarHBondContact O-N 3.45Å; Q110-Q113 PolarHBondContact O-N 3.35Å
114	I	91.8	Very high	92.7	Very high	101 Å²	101	48.8 Å²	48.8	52%	0.518	25%	0.245	S	C	.	.	H	α-helix	trans	-85	-39.1	-173	-60.7	166.1	0	0	0	111.6	Q110 T226 L230	Q110-I114 HydrophobicContact CB-CD1 4.48Å; Q110-I114 WeakPolarHBondContact O-CB 3.28Å; Q110-I114 VanDerWaalsContact O-CG1 3.31Å; Q110-I114 WeakPolarHBondContact O-CG1 3.47Å; Q110-I114 PolarHBondContact O-N 3.48Å; I114-T226 HydrophobicContact CG2-CG2 3.77Å; I114-L230 HydrophobicContact CD1-CD1 4.36Å
115	C	91.1	Very high	92.6	Very high	15 Å²	15	49.8 Å²	49.8	10%	0.101	25%	0.251	C	S	.	.	H	α-helix	trans	-112	2.4	-171.5	-59.2	0	0	0	0	113.5	S111 H223 L227	S111-C115 WeakPolarHBondContact O-CA 2.83Å; S111-C115 WeakPolarHBondContact O-CB 3.14Å; S111-C115 PolarHBondContact O-N 3.27Å; C115-H223 HydrophobicContact CB-CB 4.02Å; C115-H223 PolarHBondContact O-CE1 3.29Å; C115-H223 PolarHBondContact O-ND1 2.93Å; C115-H223 VanDerWaalsContact O-ND1 3.1Å; C115-L227 HydrophobicContact CB-CD2 4.21Å
116	G	89.5	Confident	92.7	Very high	34 Å²	34	48.7 Å²	48.7	35%	0.351	24%	0.241	S	C	.	.			trans	71.9	-179.4	-173	0	0	0	0	0	113.8	K112 N118	K112-G116 CarbonylContact O-C 3.49Å; K112-G116 WeakPolarHBondContact O-CA 3.32Å; K112-G116 PolarHBondContact O-N 2.87Å; K112-G116 VanDerWaalsContact O-N 3.11Å; G116-N118 PolarHBondContact O-N 3.48Å
117	K	89.3	Confident	92.8	Very high	84 Å²	84	46.7 Å²	46.7	37%	0.365	23%	0.23	S	C	.	.			trans	-74.5	106.6	-178.5	-174.6	173.8	172.6	163.9	0	111.5	H121 N122 A317 D318	K117-H121 HydrophobicContact CG-CB 3.92Å; K117-N122 WeakPolarHBondContact CE-OD1 3.4Å; K117-N122 PolarHBondContact NZ-OD1 3.44Å; K117-A317 PolarHBondContact NZ-O 2.88Å; K117-D318 WeakPolarHBondContact CE-OD1 3.37Å; K117-D318 IonicContact NZ-OD1 2.73Å; K117-D318 PolarHBondContact NZ-OD1 3.33Å
118	N	91.9	Very high	92.9	Very high	10 Å²	10	48.1 Å²	48.1	5%	0.053	24%	0.24	C	C	.	.			trans	-85.7	173.4	160.7	75.2	59.4	0	0	0	112.4	G116 A120 H121 F219	G116-N118 PolarHBondContact O-N 3.48Å; N118-A120 VanDerWaalsContact C-N 3.33Å; N118-A120 PolarHBondContact O-N 3.02Å; N118-A120 WeakPolarHBondContact OD1-CA 3.41Å; N118-A120 WeakPolarHBondContact OD1-CB 3.34Å; N118-A120 PolarHBondContact OD1-N 3.23Å; N118-H121 PolarHBondContact N-ND1 2.99Å; N118-H121 PolarHBondContact ND2-CE1 3.24Å; N118-H121 WeakPolarHBondContact O-CB 3.32Å; N118-H121 PolarHBondContact O-N 3.11Å; N118-H121 PolarHBondContact O-ND1 3.28Å; N118-F219 HydrophobicContact CB-CB 3.95Å
119	K	90.9	Very high	93	Very high	106 Å²	106	46.7 Å²	46.7	46%	0.461	23%	0.234	S	C	.	.	G	3₁₀ helix	trans	-68.6	-23.7	-175.7	-82.4	-151.3	-177.6	-176.2	0	115	H121 N122 Y217 H218	K119-H121 PolarHBondContact O-N 3.39Å; K119-N122 PolarHBondContact O-N 3.02Å; K119-Y217 HydrophobicContact CB-CD1 3.98Å; K119-Y217 HydrophobicContact CB-CD2 4.33Å; K119-Y217 HydrophobicContact CB-CE1 3.47Å; K119-Y217 VanDerWaalsContact CB-CE1 3.47Å; K119-Y217 HydrophobicContact CB-CE2 3.86Å; K119-Y217 HydrophobicContact CB-CG 4.36Å; K119-Y217 HydrophobicContact CD-CE2 4.06Å; K119-Y217 PolarHBondContact N-O 2.87Å; K119-Y217 VanDerWaalsContact N-O 3.16Å; K119-H218 HydrophobicContact CB-CB 4.2Å; K119-H218 HydrophobicContact CD-CB 4.33Å; K119-H218 HydrophobicContact CG-CB 3.92Å
120	A	93.5	Very high	93.2	Very high	7 Å²	7	41.1 Å²	41.1	6%	0.058	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-58.3	-35.6	175.9	0	0	0	0	0	110.3	W108 N118 N122 I123 T214 L215 Y217	W108-A120 WeakPolarHBondContact CH2-O 3.29Å; W108-A120 HydrophobicContact CZ3-CB 4.5Å; W108-A120 WeakPolarHBondContact CZ3-O 3.4Å; N118-A120 VanDerWaalsContact C-N 3.33Å; N118-A120 PolarHBondContact O-N 3.02Å; N118-A120 WeakPolarHBondContact OD1-CA 3.41Å; N118-A120 WeakPolarHBondContact OD1-CB 3.34Å; N118-A120 PolarHBondContact OD1-N 3.23Å; A120-N122 PolarHBondContact O-N 3.41Å; A120-I123 PolarHBondContact O-N 2.95Å; A120-T214 HydrophobicContact CB-CG2 4.03Å; A120-L215 WeakPolarHBondContact CB-O 3.35Å; A120-Y217 HydrophobicContact CB-CD1 3.97Å; A120-Y217 HydrophobicContact CB-CE1 4.22Å; A120-Y217 VanDerWaalsContact N-CE1 3.25Å
121	H	93.2	Very high	93.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-61.3	-5.9	-177.7	-60.3	117.4	0	0	0	116.2	W108 S111 K112 K117 N118 K119 D318	W108-H121 AromaticContact CD2-CD2 3.74Å; W108-H121 AromaticContact CE2-CD2 3.74Å; W108-H121 VanDerWaalsContact CH2-C 3.43Å; W108-H121 HydrophobicContact CH2-CB 4.42Å; W108-H121 HydrophobicContact CZ2-CB 4.08Å; W108-H121 WeakPolarHBondContact CZ2-O 3.49Å; W108-H121 AromaticContact NE1-CD2 3.85Å; W108-H121 PolarHBondContact O-NE2 3.02Å; S111-H121 PolarHBondContact OG-NE2 3.22Å; K112-H121 PolarHBondContact N-NE2 2.92Å; K117-H121 HydrophobicContact CG-CB 3.92Å; N118-H121 PolarHBondContact N-ND1 2.99Å; N118-H121 PolarHBondContact ND2-CE1 3.24Å; N118-H121 WeakPolarHBondContact O-CB 3.32Å; N118-H121 PolarHBondContact O-N 3.11Å; N118-H121 PolarHBondContact O-ND1 3.28Å; K119-H121 PolarHBondContact O-N 3.39Å; H121-D318 WeakPolarHBondContact O-CB 3.31Å
122	N	91.4	Very high	93.1	Very high	40 Å²	40	44.4 Å²	44.4	21%	0.214	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-77.9	-22	177.2	-75.3	-19.1	0	0	0	113.2	K117 K119 A120 E319 C320	K117-N122 WeakPolarHBondContact CE-OD1 3.4Å; K117-N122 PolarHBondContact NZ-OD1 3.44Å; K119-N122 PolarHBondContact O-N 3.02Å; A120-N122 PolarHBondContact O-N 3.41Å; N122-E319 HydrophobicContact CB-CB 4.08Å; N122-E319 PolarHBondContact O-N 3.38Å; N122-C320 WeakPolarHBondContact O-CB 3.49Å; N122-C320 PolarHBondContact O-N 2.98Å; N122-C320 PolarHBondContact O-SG 3.3Å; N122-C320 VanDerWaalsContact O-SG 3.37Å
123	I	92.1	Very high	93.3	Very high	34 Å²	34	41.3 Å²	41.3	17%	0.174	21%	0.209	C	C	.	.	S	Bend	trans	-141.2	118.2	-175.8	-48.9	170.4	0	0	0	110.5	Y93 W108 A120 H126 C320 W323	Y93-I123 HydrophobicContact CE2-CG2 4.01Å; W108-I123 WeakPolarHBondContact CH2-O 3.28Å; W108-I123 WeakPolarHBondContact CZ3-O 3.29Å; A120-I123 PolarHBondContact O-N 2.95Å; I123-H126 WeakPolarHBondContact CG2-CE1 3.3Å; I123-C320 HydrophobicContact CG2-CB 4.3Å; I123-W323 HydrophobicContact CD1-CH2 3.78Å; I123-W323 HydrophobicContact CD1-CZ2 4.13Å; I123-W323 HydrophobicContact CG1-CH2 4.13Å; I123-W323 HydrophobicContact CG1-CZ2 4.28Å; I123-W323 HydrophobicContact CG2-CH2 4.21Å; I123-W323 HydrophobicContact CG2-CZ3 4.3Å
124	F	91.4	Very high	93.5	Very high	27 Å²	27	36.7 Å²	36.7	12%	0.118	19%	0.189	C	C	.	.			trans	-40.6	151.8	178.9	50.9	-100.9	0	0	0	113.7	Y93 R95 H126 F247 C320	Y93-F124 AromaticContact CD2-CE2 3.92Å; Y93-F124 HydrophobicContact CD2-CE2 3.92Å; Y93-F124 HydrophobicContact CD2-CZ 4.01Å; Y93-F124 HydrophobicContact CE2-CE2 4.43Å; Y93-F124 HydrophobicContact CE2-CZ 4.31Å; R95-F124 VanDerWaalsContact CD-CE2 3.46Å; R95-F124 HydrophobicContact CG-CD2 4.37Å; R95-F124 HydrophobicContact CG-CE2 3.97Å; F124-H126 HydrophobicContact CD2-CB 4.21Å; F124-H126 HydrophobicContact CE2-CB 4.08Å; F124-H126 PolarHBondContact O-N 2.81Å; F124-H126 PolarHBondContact O-ND1 2.93Å; F124-F247 HydrophobicContact CE1-CE1 4.16Å; F124-F247 HydrophobicContact CE1-CE2 4.28Å; F124-F247 AromaticContact CE1-CZ 3.96Å; F124-F247 HydrophobicContact CE1-CZ 3.96Å; F124-F247 AromaticContact CE2-CE2 3.97Å; F124-F247 HydrophobicContact CE2-CE2 3.97Å; F124-F247 HydrophobicContact CE2-CZ 4.24Å; F124-F247 HydrophobicContact CZ-CD1 4.47Å; F124-F247 AromaticContact CZ-CD2 3.87Å; F124-F247 HydrophobicContact CZ-CD2 3.87Å; F124-F247 HydrophobicContact CZ-CE1 4.03Å; F124-F247 AromaticContact CZ-CE2 3.36Å; F124-F247 HydrophobicContact CZ-CE2 3.36Å; F124-F247 HydrophobicContact CZ-CG 4.4Å; F124-F247 AromaticContact CZ-CZ 3.46Å; F124-F247 HydrophobicContact CZ-CZ 3.46Å; F124-F247 VanDerWaalsContact CZ-CZ 3.46Å; F124-C320 HydrophobicContact CD1-CB 3.95Å; F124-C320 HydrophobicContact CE1-CB 3.92Å
125	P	94	Very high	93.6	Very high	21 Å²	21	32 Å²	32	14%	0.136	17%	0.165	C	C	.	.	S	Bend	trans	-53.8	121.9	-179.8	-27.1	35	0	0	0	113.4	L104 W108 V213	L104-P125 HydrophobicContact CB-CB 3.98Å; L104-P125 HydrophobicContact CB-CG 3.97Å; L104-P125 HydrophobicContact CD1-CB 4.13Å; L104-P125 HydrophobicContact CG-CB 4.5Å; W108-P125 HydrophobicContact CE3-CG 3.9Å; W108-P125 HydrophobicContact CZ3-CG 4.33Å; P125-V213 HydrophobicContact CB-CG1 4.02Å
126	H	95.6	Very high	93.7	Very high	20 Å²	20	36.3 Å²	36.3	9%	0.093	18%	0.184	C	C	.	.			trans	-155.4	166.8	-174.8	65.8	-77.3	0	0	0	111.6	Y93 R95 I123 F124 T128 V213	Y93-H126 AromaticContact CD1-CD2 3.55Å; Y93-H126 HydrophobicContact CD2-CB 4.14Å; Y93-H126 AromaticContact CD2-CD2 3.66Å; Y93-H126 AromaticContact CD2-CG 3.86Å; Y93-H126 AromaticContact CE1-CD2 3.53Å; Y93-H126 AromaticContact CE1-NE2 3.71Å; Y93-H126 AromaticContact CE2-CD2 3.6Å; Y93-H126 AromaticContact CE2-CG 4Å; Y93-H126 AromaticContact CE2-NE2 3.74Å; Y93-H126 HydrophobicContact CG-CB 4.22Å; Y93-H126 AromaticContact CG-CD2 3.62Å; Y93-H126 AromaticContact CZ-CD2 3.58Å; Y93-H126 AromaticContact CZ-NE2 3.47Å; R95-H126 HydrophobicContact CG-CB 4.42Å; I123-H126 WeakPolarHBondContact CG2-CE1 3.3Å; F124-H126 HydrophobicContact CD2-CB 4.21Å; F124-H126 HydrophobicContact CE2-CB 4.08Å; F124-H126 PolarHBondContact O-N 2.81Å; F124-H126 PolarHBondContact O-ND1 2.93Å; H126-T128 PolarHBondContact CD2-OG1 3.45Å; H126-T128 VanDerWaalsContact CD2-OG1 3.31Å; H126-T128 PolarHBondContact NE2-OG1 3.25Å; H126-T128 VanDerWaalsContact NE2-OG1 3.15Å; H126-V213 WeakPolarHBondContact O-CA 3.46Å
127	I	96.5	Very high	93.8	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	126.9	163	-59.3	170.2	0	0	0	108.4	Y93 L94 L129 L162 V177 L211 V213 W242	Y93-I127 WeakPolarHBondContact CA-O 3.41Å; L94-I127 HydrophobicContact CB-CB 4.11Å; L94-I127 HydrophobicContact CD2-CD1 4.4Å; L94-I127 PolarHBondContact N-O 3Å; L94-I127 PolarHBondContact O-N 3.25Å; I127-L129 HydrophobicContact CG2-CD2 4.31Å; I127-L162 HydrophobicContact CD1-CD2 3.9Å; I127-V177 HydrophobicContact CD1-CG2 3.69Å; I127-L211 HydrophobicContact CG2-CB 3.86Å; I127-L211 HydrophobicContact CG2-CD1 4.43Å; I127-L211 HydrophobicContact CG2-CD2 4.17Å; I127-L211 HydrophobicContact CG2-CG 4.38Å; I127-V213 HydrophobicContact CD1-CG2 4.28Å; I127-V213 HydrophobicContact CG1-CG2 3.64Å; I127-W242 HydrophobicContact CD1-CE3 4.26Å; I127-W242 HydrophobicContact CD1-CH2 3.61Å; I127-W242 HydrophobicContact CD1-CZ2 4.31Å; I127-W242 HydrophobicContact CD1-CZ3 3.58Å; I127-W242 HydrophobicContact CG1-CH2 4.17Å; I127-W242 HydrophobicContact CG1-CZ3 3.94Å
128	T	96.7	Very high	93.9	Very high	37 Å²	37	35.1 Å²	35.1	23%	0.227	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	118.9	177.5	-60.3	0	0	0	0	111.6	Y93 H126 C130 L211	Y93-T128 HydrophobicContact CD1-CG2 4.35Å; Y93-T128 HydrophobicContact CE1-CG2 3.88Å; Y93-T128 WeakPolarHBondContact CE1-OG1 3.4Å; H126-T128 PolarHBondContact CD2-OG1 3.45Å; H126-T128 VanDerWaalsContact CD2-OG1 3.31Å; H126-T128 PolarHBondContact NE2-OG1 3.25Å; H126-T128 VanDerWaalsContact NE2-OG1 3.15Å; T128-C130 WeakPolarHBondContact CG2-O 3.3Å; T128-L211 WeakPolarHBondContact O-CD2 3.41Å
129	L	96.9	Very high	94	Very high	2 Å²	2	37 Å²	37	1%	0.01	19%	0.186	C	C	.	.			trans	-96.8	-26	-176.4	-64.6	-179.6	0	0	0	113.8	L92 L94 I127 L185 F188 A189 H207 L211	L92-L129 HydrophobicContact CD2-CB 4.3Å; L92-L129 HydrophobicContact CD2-CD1 4.02Å; L92-L129 HydrophobicContact CG-CB 4.32Å; L92-L129 HydrophobicContact CG-CD1 4.06Å; L92-L129 WeakPolarHBondContact O-CB 3.48Å; L92-L129 PolarHBondContact O-N 3.11Å; L92-L129 VanDerWaalsContact O-N 3.13Å; L94-L129 HydrophobicContact CB-CD1 4.07Å; L94-L129 HydrophobicContact CB-CD2 4.44Å; L94-L129 HydrophobicContact CB-CG 4.26Å; L94-L129 HydrophobicContact CD1-CD1 4.32Å; I127-L129 HydrophobicContact CG2-CD2 4.31Å; L129-L185 HydrophobicContact CD2-CB 4.43Å; L129-F188 HydrophobicContact CD1-CD1 3.91Å; L129-F188 HydrophobicContact CD1-CE1 3.68Å; L129-A189 HydrophobicContact CB-CB 4.11Å; L129-A189 WeakPolarHBondContact O-CB 3.35Å; L129-H207 PolarHBondContact O-N 3.38Å; L129-L211 HydrophobicContact CD2-CD1 4.39Å
130	C	96.3	Very high	94.1	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.007	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-141.6	164	177.6	67.9	0	0	0	0	111.3	L92 T128 V204 E205	L92-C130 PolarHBondContact N-SG 2.85Å; T128-C130 WeakPolarHBondContact CG2-O 3.3Å; C130-V204 HydrophobicContact CB-CG1 3.66Å; C130-E205 WeakPolarHBondContact CA-O 3.19Å; C130-E205 WeakPolarHBondContact CB-O 3.17Å
131	Q	95.1	Very high	94	Very high	92 Å²	92	38.6 Å²	38.6	43%	0.43	20%	0.199	S	C	.	.			trans	-66.9	162.1	164.1	-61.6	-170.6	37.3	0	0	110	E205	Q131-E205 PolarHBondContact N-O 2.9Å; Q131-E205 PolarHBondContact NE2-OE1 3.2Å; Q131-E205 PolarHBondContact NE2-OE2 3.02Å
132	F	95	Very high	94.1	Very high	63 Å²	63	40 Å²	40	28%	0.276	21%	0.21	S	C	.	.			trans	-59.1	141.3	168.3	-80.7	-80.6	0	0	0	110.4	E89 Y90 V91 R249 W323	E89-F132 VanDerWaalsContact CD-CB 3.44Å; E89-F132 HydrophobicContact CG-CB 3.67Å; E89-F132 HydrophobicContact CG-CD1 3.74Å; E89-F132 HydrophobicContact CG-CG 4.06Å; E89-F132 WeakPolarHBondContact OE1-CB 3.43Å; E89-F132 WeakPolarHBondContact OE2-CD1 3.39Å; Y90-F132 CarbonylContact O-C 3.59Å; Y90-F132 VanDerWaalsContact O-CA 3.29Å; Y90-F132 WeakPolarHBondContact O-CA 3.3Å; V91-F132 HydrophobicContact CB-CD1 3.69Å; V91-F132 HydrophobicContact CB-CE1 3.65Å; V91-F132 HydrophobicContact CB-CG 4.32Å; V91-F132 HydrophobicContact CB-CZ 4.23Å; V91-F132 HydrophobicContact CG1-CD1 4.21Å; V91-F132 HydrophobicContact CG1-CE1 3.64Å; V91-F132 HydrophobicContact CG1-CZ 4.1Å; V91-F132 HydrophobicContact CG2-CD1 4.43Å; V91-F132 HydrophobicContact CG2-CE1 4.41Å; F132-R249 HydrophobicContact CE1-CG 4.46Å; F132-W323 HydrophobicContact CE1-CH2 4.27Å; F132-W323 AromaticContact CZ-CH2 3.59Å; F132-W323 HydrophobicContact CZ-CH2 3.59Å; F132-W323 AromaticContact CZ-CZ2 3.93Å; F132-W323 HydrophobicContact CZ-CZ2 3.93Å; F132-W323 HydrophobicContact CZ-CZ3 4.25Å
133	F	95.6	Very high	94.3	Very high	9 Å²	9	38.1 Å²	38.1	4%	0.039	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	152	-178.8	62.6	-92.9	0	0	0	111.2	Y90 L143 F192 V202 V204	Y90-F133 HydrophobicContact CG-CE2 4.36Å; Y90-F133 PolarHBondContact N-O 3.3Å; Y90-F133 WeakPolarHBondContact O-CD1 3.38Å; Y90-F133 PolarHBondContact O-N 2.95Å; F133-L143 HydrophobicContact CE2-CD1 4.06Å; F133-L143 HydrophobicContact CE2-CD2 3.85Å; F133-L143 HydrophobicContact CZ-CD1 4.26Å; F133-L143 HydrophobicContact CZ-CD2 4.16Å; F133-F192 HydrophobicContact CE1-CE1 4.37Å; F133-F192 HydrophobicContact CZ-CE1 4.25Å; F133-F192 HydrophobicContact CZ-CZ 4.36Å; F133-V202 HydrophobicContact CD2-CG1 3.47Å; F133-V202 VanDerWaalsContact CD2-CG1 3.47Å; F133-V202 HydrophobicContact CE2-CG1 3.99Å; F133-V202 HydrophobicContact CG-CG1 4.33Å; F133-V204 HydrophobicContact CD1-CB 4.37Å; F133-V204 HydrophobicContact CD1-CG1 3.9Å; F133-V204 HydrophobicContact CD1-CG2 3.95Å; F133-V204 HydrophobicContact CD2-CG2 3.93Å; F133-V204 HydrophobicContact CE1-CG1 4.05Å; F133-V204 HydrophobicContact CE1-CG2 4.02Å; F133-V204 HydrophobicContact CE2-CG2 3.97Å; F133-V204 HydrophobicContact CG-CG2 3.9Å; F133-V204 HydrophobicContact CZ-CG2 4.02Å
134	M	95	Very high	94.3	Very high	68 Å²	68	37.4 Å²	37.4	34%	0.335	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	136.8	-179	-58	-51.4	-64.5	0	0	111.1	P87 R88 E89 V202 I251	P87-M134 VanDerWaalsContact C-CE 3.49Å; P87-M134 HydrophobicContact CB-CB 4.46Å; P87-M134 HydrophobicContact CB-CE 3.81Å; P87-M134 HydrophobicContact CG-CB 4.37Å; P87-M134 HydrophobicContact CG-CE 3.59Å; P87-M134 WeakPolarHBondContact O-CE 3.11Å; R88-M134 VanDerWaalsContact C-CE 3.44Å; R88-M134 VanDerWaalsContact O-CE 3.29Å; R88-M134 WeakPolarHBondContact O-CE 3.46Å; E89-M134 HydrophobicContact CB-CE 4.28Å; E89-M134 HydrophobicContact CB-SD 3.69Å; E89-M134 HydrophobicContact CG-SD 3.69Å; M134-V202 VanDerWaalsContact O-CG1 3.31Å; M134-V202 WeakPolarHBondContact O-CG1 3.43Å; M134-I251 HydrophobicContact CE-CB 3.86Å; M134-I251 HydrophobicContact CE-CD1 4.16Å; M134-I251 HydrophobicContact CE-CG1 3.87Å; M134-I251 HydrophobicContact CE-CG2 4.26Å; M134-I251 HydrophobicContact SD-CD1 3.94Å; M134-I251 HydrophobicContact SD-CG1 4.29Å
135	C	94.1	Very high	94.5	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	134	171.5	-173.3	0	0	0	0	109.4	P87 R88 Y90 L143 V202	P87-C135 WeakPolarHBondContact CB-O 3.2Å; R88-C135 PolarHBondContact O-N 3.49Å; Y90-C135 HydrophobicContact CD2-CB 3.57Å; Y90-C135 HydrophobicContact CE2-CB 3.57Å; Y90-C135 HydrophobicContact CG-CB 4.4Å; C135-L143 HydrophobicContact CB-CD2 4.21Å; C135-V202 HydrophobicContact CB-CG2 4.09Å
136	E	92.9	Very high	94.6	Very high	106 Å²	106	39.9 Å²	39.9	50%	0.495	21%	0.212	S	C	.	.			trans	-68.1	144.5	174.8	-66.2	178.1	178	0	0	111.1	S138 K139	E136-S138 PolarHBondContact O-N 3.39Å; E136-K139 HydrophobicContact CB-CD 4.45Å; E136-K139 HydrophobicContact CB-CG 4.35Å; E136-K139 PolarHBondContact O-N 3.03Å
137	D	92.8	Very high	94.6	Very high	30 Å²	30	39 Å²	39	16%	0.16	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-57.5	-28.8	-177.8	-62.8	-28.1	0	0	0	113	Q55 K56 A59 K139 V140	Q55-D137 HydrophobicContact CB-CB 4.06Å; K56-D137 VanDerWaalsContact CA-OD2 3.3Å; K56-D137 WeakPolarHBondContact CA-OD2 3.42Å; K56-D137 WeakPolarHBondContact CB-OD2 3.27Å; A59-D137 HydrophobicContact CB-CB 4.06Å; A59-D137 VanDerWaalsContact CB-OD1 3.3Å; A59-D137 WeakPolarHBondContact CB-OD1 3.38Å; D137-K139 VanDerWaalsContact C-N 3.26Å; D137-K139 PolarHBondContact O-N 2.84Å; D137-V140 WeakPolarHBondContact O-CG2 3.26Å
138	S	92	Very high	94.5	Very high	63 Å²	63	43.5 Å²	43.5	44%	0.441	23%	0.229	S	C	.	.	G	3₁₀ helix	trans	-71.1	-18.2	178.1	73.7	0	0	0	0	114.3	E136	E136-S138 PolarHBondContact O-N 3.39Å
139	K	93.5	Very high	94.4	Very high	48 Å²	48	44.1 Å²	44.1	21%	0.209	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-107.7	1.5	-172.7	-57.7	-175.3	175.9	-174.6	0	113.1	E136 D137 D141 A142 L143 T200 E201	E136-K139 HydrophobicContact CB-CD 4.45Å; E136-K139 HydrophobicContact CB-CG 4.35Å; E136-K139 PolarHBondContact O-N 3.03Å; D137-K139 VanDerWaalsContact C-N 3.26Å; D137-K139 PolarHBondContact O-N 2.84Å; K139-D141 PolarHBondContact O-N 3.04Å; K139-A142 PolarHBondContact O-N 3.25Å; K139-L143 PolarHBondContact O-N 3.2Å; K139-T200 HydrophobicContact CB-CG2 4.19Å; K139-T200 WeakPolarHBondContact CD-O 3.2Å; K139-T200 PolarHBondContact NZ-O 3.33Å; K139-E201 IonicContact NZ-OE2 3.31Å; K139-E201 PolarHBondContact NZ-OE2 3.47Å; K139-E201 VanDerWaalsContact NZ-OE2 3.13Å
140	V	92.6	Very high	94.4	Very high	19 Å²	19	44 Å²	44	12%	0.115	23%	0.232	C	C	.	.	H	α-helix	trans	-63.2	-41.7	-174.5	179.2	0	0	0	0	112.6	A59 Y90 D137 A142 L143 G144	A59-V140 HydrophobicContact CB-CG2 4.17Å; Y90-V140 HydrophobicContact CE1-CG1 4.43Å; Y90-V140 WeakPolarHBondContact OH-CG2 3.27Å; D137-V140 WeakPolarHBondContact O-CG2 3.26Å; V140-A142 VanDerWaalsContact C-N 3.35Å; V140-A142 PolarHBondContact O-N 3.48Å; V140-L143 WeakPolarHBondContact O-CB 3.45Å; V140-L143 PolarHBondContact O-N 3.18Å; V140-G144 PolarHBondContact O-N 3.01Å
141	D	91.8	Very high	94.3	Very high	128 Å²	128	44.1 Å²	44.1	68%	0.684	23%	0.232	S	C	*	.	H	α-helix	trans	-61.2	-45	177.2	-69.1	-26.7	0	0	0	111.2	K139 L143 G144 E145	K139-D141 PolarHBondContact O-N 3.04Å; D141-L143 VanDerWaalsContact C-N 3.3Å; D141-L143 PolarHBondContact O-N 3.26Å; D141-G144 PolarHBondContact O-N 3Å; D141-G144 VanDerWaalsContact O-N 3.12Å; D141-E145 PolarHBondContact O-N 3.23Å
142	A	94.3	Very high	94.2	Very high	29 Å²	29	42.9 Å²	42.9	24%	0.24	23%	0.234	C	C	.	.	H	α-helix	trans	-64.7	-32.9	177.2	0	0	0	0	0	112.5	K139 V140 E145 A146 T200	K139-A142 PolarHBondContact O-N 3.25Å; V140-A142 VanDerWaalsContact C-N 3.35Å; V140-A142 PolarHBondContact O-N 3.48Å; A142-E145 PolarHBondContact O-N 3.13Å; A142-A146 WeakPolarHBondContact O-CB 3.39Å; A142-A146 PolarHBondContact O-N 3.27Å; A142-T200 HydrophobicContact CB-CG2 3.69Å
143	L	95.4	Very high	94.1	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-65.5	-42.3	171.5	-177.1	67.5	0	0	0	111.5	Y90 F133 C135 K139 V140 D141 A146 L147 F192 A196 T200 I246	Y90-L143 HydrophobicContact CD1-CD2 4.04Å; Y90-L143 HydrophobicContact CE1-CD2 4.44Å; Y90-L143 HydrophobicContact CG-CD2 4.23Å; F133-L143 HydrophobicContact CE2-CD1 4.06Å; F133-L143 HydrophobicContact CE2-CD2 3.85Å; F133-L143 HydrophobicContact CZ-CD1 4.26Å; F133-L143 HydrophobicContact CZ-CD2 4.16Å; C135-L143 HydrophobicContact CB-CD2 4.21Å; K139-L143 PolarHBondContact O-N 3.2Å; V140-L143 WeakPolarHBondContact O-CB 3.45Å; V140-L143 PolarHBondContact O-N 3.18Å; D141-L143 VanDerWaalsContact C-N 3.3Å; D141-L143 PolarHBondContact O-N 3.26Å; L143-A146 WeakPolarHBondContact O-CB 3.27Å; L143-A146 PolarHBondContact O-N 3.48Å; L143-L147 PolarHBondContact O-N 3.23Å; L143-L147 VanDerWaalsContact O-N 3.09Å; L143-F192 HydrophobicContact CD1-CE2 4.33Å; L143-F192 HydrophobicContact CD1-CZ 3.86Å; L143-A196 HydrophobicContact CD1-CB 3.97Å; L143-T200 HydrophobicContact CB-CG2 4.28Å; L143-I246 HydrophobicContact CG-CD1 4.28Å
144	G	93.7	Very high	93.9	Very high	19 Å²	19	45 Å²	45	20%	0.196	24%	0.24	C	C	.	.	H	α-helix	trans	-60.4	-43.6	173.8	0	0	0	0	0	112.4	V140 D141 L147 Q148	V140-G144 PolarHBondContact O-N 3.01Å; D141-G144 PolarHBondContact O-N 3Å; D141-G144 VanDerWaalsContact O-N 3.12Å; G144-L147 PolarHBondContact O-N 3.24Å; G144-Q148 PolarHBondContact O-N 3.13Å
145	E	94.3	Very high	93.4	Very high	100 Å²	100	46.2 Å²	46.2	47%	0.467	24%	0.243	S	C	.	.	H	α-helix	trans	-65.3	-37	174.5	-67.3	-175.5	-177.3	0	0	113	D141 A142 L147 Q148 T149 K199	D141-E145 PolarHBondContact O-N 3.23Å; A142-E145 PolarHBondContact O-N 3.13Å; E145-L147 VanDerWaalsContact C-N 3.3Å; E145-Q148 PolarHBondContact O-N 2.98Å; E145-T149 VanDerWaalsContact O-CB 3.29Å; E145-T149 WeakPolarHBondContact O-CB 3.33Å; E145-T149 PolarHBondContact O-N 3.34Å; E145-T149 PolarHBondContact O-OG1 3.44Å; E145-K199 HydrophobicContact CB-CD 4.45Å; E145-K199 IonicContact OE2-NZ 2.98Å; E145-K199 PolarHBondContact OE2-NZ 2.83Å
146	A	96.2	Very high	92.8	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-60.8	-42.8	175.8	0	0	0	0	0	110.7	A142 L143 T150 E195 K199	A142-A146 WeakPolarHBondContact O-CB 3.39Å; A142-A146 PolarHBondContact O-N 3.27Å; L143-A146 WeakPolarHBondContact O-CB 3.27Å; L143-A146 PolarHBondContact O-N 3.48Å; A146-T150 WeakPolarHBondContact O-CB 3.31Å; A146-T150 PolarHBondContact O-N 3.16Å; A146-T150 PolarHBondContact O-OG1 2.96Å; A146-E195 HydrophobicContact CB-CB 4.29Å; A146-E195 HydrophobicContact CB-CG 3.8Å; A146-K199 HydrophobicContact CB-CD 4.05Å
147	L	95.8	Very high	92.4	Very high	1 Å²	1	51 Å²	51	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-64.4	-48.8	174.3	-178.6	61.2	0	0	0	111.6	L92 L143 G144 E145 T149 T150 V151 F188 F192 A244 I246 Y329	L92-L147 HydrophobicContact CD1-CD1 3.72Å; L92-L147 HydrophobicContact CD1-CD2 3.97Å; L92-L147 HydrophobicContact CD2-CD1 4.3Å; L143-L147 PolarHBondContact O-N 3.23Å; L143-L147 VanDerWaalsContact O-N 3.09Å; G144-L147 PolarHBondContact O-N 3.24Å; E145-L147 VanDerWaalsContact C-N 3.3Å; L147-T149 VanDerWaalsContact C-N 3.3Å; L147-T149 PolarHBondContact O-N 3.28Å; L147-T150 PolarHBondContact O-N 2.99Å; L147-V151 HydrophobicContact CD1-CG2 3.85Å; L147-V151 HydrophobicContact CG-CG2 4.21Å; L147-V151 WeakPolarHBondContact O-CG2 3.37Å; L147-V151 PolarHBondContact O-N 3.47Å; L147-F188 HydrophobicContact CD1-CZ 4.36Å; L147-F192 HydrophobicContact CB-CD2 4.21Å; L147-F192 HydrophobicContact CB-CE2 3.8Å; L147-F192 HydrophobicContact CD1-CD2 3.96Å; L147-F192 HydrophobicContact CD1-CE2 4.13Å; L147-A244 HydrophobicContact CD1-CB 4.13Å; L147-I246 HydrophobicContact CB-CD1 3.89Å; L147-I246 HydrophobicContact CD2-CD1 3.52Å; L147-I246 HydrophobicContact CD2-CG1 3.72Å; L147-I246 HydrophobicContact CG-CD1 4.25Å; L147-Y329 HydrophobicContact CB-CD2 4.44Å; L147-Y329 HydrophobicContact CB-CE2 4.28Å; L147-Y329 HydrophobicContact CD2-CD2 3.61Å; L147-Y329 HydrophobicContact CD2-CE2 3.89Å; L147-Y329 HydrophobicContact CG-CD2 3.71Å; L147-Y329 HydrophobicContact CG-CE2 4.03Å
148	Q	94.8	Very high	92	Very high	95 Å²	95	50.8 Å²	50.8	44%	0.444	27%	0.27	S	S	.	.	H	α-helix	trans	-59	-42.9	-180	-171.5	178.8	18.4	0	0	111.9	G144 E145 S152 Y329	G144-Q148 PolarHBondContact O-N 3.13Å; E145-Q148 PolarHBondContact O-N 2.98Å; Q148-S152 VanDerWaalsContact O-CB 3.3Å; Q148-S152 WeakPolarHBondContact O-CB 3.46Å; Q148-S152 PolarHBondContact O-N 3.01Å; Q148-S152 PolarHBondContact O-OG 3.49Å; Q148-Y329 HydrophobicContact CB-CD1 4.35Å; Q148-Y329 HydrophobicContact CB-CE1 3.78Å; Q148-Y329 HydrophobicContact CB-CE2 4.15Å; Q148-Y329 HydrophobicContact CG-CD1 4.07Å; Q148-Y329 HydrophobicContact CG-CE1 3.6Å
149	T	95.3	Very high	91.5	Very high	49 Å²	49	50.2 Å²	50.2	30%	0.301	27%	0.266	S	S	.	.	H	α-helix	trans	-62.5	-45.8	177.3	-57.3	0	0	0	0	110.1	E145 L147 S152 R153	E145-T149 VanDerWaalsContact O-CB 3.29Å; E145-T149 WeakPolarHBondContact O-CB 3.33Å; E145-T149 PolarHBondContact O-N 3.34Å; E145-T149 PolarHBondContact O-OG1 3.44Å; L147-T149 VanDerWaalsContact C-N 3.3Å; L147-T149 PolarHBondContact O-N 3.28Å; T149-S152 PolarHBondContact O-N 2.89Å; T149-R153 WeakPolarHBondContact O-CG 3.38Å; T149-R153 PolarHBondContact O-N 3.04Å; T149-R153 VanDerWaalsContact O-N 3.14Å
150	T	95.7	Very high	90.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-64.4	-49.9	178.9	-56.6	0	0	0	0	111.4	A146 L147 S152 R153 W154 F188 D191 F192	A146-T150 WeakPolarHBondContact O-CB 3.31Å; A146-T150 PolarHBondContact O-N 3.16Å; A146-T150 PolarHBondContact O-OG1 2.96Å; L147-T150 PolarHBondContact O-N 2.99Å; T150-S152 VanDerWaalsContact C-N 3.27Å; T150-S152 PolarHBondContact O-N 2.99Å; T150-R153 WeakPolarHBondContact O-CB 3.48Å; T150-R153 PolarHBondContact O-N 3.47Å; T150-R153 VanDerWaalsContact O-N 3.07Å; T150-R153 PolarHBondContact OG1-NH2 3.44Å; T150-W154 PolarHBondContact O-N 3.45Å; T150-W154 VanDerWaalsContact O-N 3.15Å; T150-F188 HydrophobicContact CG2-CD2 3.97Å; T150-F188 HydrophobicContact CG2-CE2 3.74Å; T150-D191 HydrophobicContact CG2-CB 4.16Å; T150-F192 HydrophobicContact CG2-CB 4.06Å
151	V	94.3	Very high	90.4	Very high	3 Å²	3	54.2 Å²	54.2	2%	0.018	30%	0.304	C	S	.	.	H	α-helix	trans	-59.5	-40	178	172.5	0	0	0	0	111.2	L147 R153 W154 K155 F188 A244 S330 I331	L147-V151 HydrophobicContact CD1-CG2 3.85Å; L147-V151 HydrophobicContact CG-CG2 4.21Å; L147-V151 WeakPolarHBondContact O-CG2 3.37Å; L147-V151 PolarHBondContact O-N 3.47Å; V151-R153 VanDerWaalsContact C-N 3.31Å; V151-R153 PolarHBondContact O-N 3.47Å; V151-W154 CarbonylContact O-C 3.59Å; V151-W154 PolarHBondContact O-N 3.13Å; V151-K155 WeakPolarHBondContact O-CG 3.39Å; V151-K155 PolarHBondContact O-N 3.35Å; V151-F188 HydrophobicContact CG2-CE2 3.92Å; V151-F188 HydrophobicContact CG2-CZ 3.78Å; V151-A244 HydrophobicContact CG2-CB 3.85Å; V151-S330 WeakPolarHBondContact CG1-O 3.4Å; V151-I331 HydrophobicContact CG1-CG1 4.19Å
152	S	92.6	Very high	90.3	Very high	66 Å²	66	48.5 Å²	48.5	46%	0.462	27%	0.273	S	S	.	.	H	α-helix	trans	-60.4	-37.9	176.2	-61.1	0	0	0	0	112.9	Q148 T149 T150 W154	Q148-S152 VanDerWaalsContact O-CB 3.3Å; Q148-S152 WeakPolarHBondContact O-CB 3.46Å; Q148-S152 PolarHBondContact O-N 3.01Å; Q148-S152 PolarHBondContact O-OG 3.49Å; T149-S152 PolarHBondContact O-N 2.89Å; T150-S152 VanDerWaalsContact C-N 3.27Å; T150-S152 PolarHBondContact O-N 2.99Å; S152-W154 VanDerWaalsContact C-N 3.26Å; S152-W154 PolarHBondContact O-N 3.4Å
153	R	93.1	Very high	90.2	Very high	104 Å²	104	49 Å²	49	39%	0.392	27%	0.274	S	S	.	.	H	α-helix	trans	-70.8	-21.1	174.1	-67.9	-178.2	-63.2	-156.1	-3.5	113.5	T149 T150 V151 K157 E195	T149-R153 WeakPolarHBondContact O-CG 3.38Å; T149-R153 PolarHBondContact O-N 3.04Å; T149-R153 VanDerWaalsContact O-N 3.14Å; T150-R153 WeakPolarHBondContact O-CB 3.48Å; T150-R153 PolarHBondContact O-N 3.47Å; T150-R153 VanDerWaalsContact O-N 3.07Å; T150-R153 PolarHBondContact OG1-NH2 3.44Å; V151-R153 VanDerWaalsContact C-N 3.31Å; V151-R153 PolarHBondContact O-N 3.47Å; R153-K157 VanDerWaalsContact O-CE 3.3Å; R153-K157 WeakPolarHBondContact O-CE 3.42Å; R153-K157 PolarHBondContact O-NZ 3.38Å; R153-E195 IonicContact CZ-OE2 2.69Å; R153-E195 IonicContact NH1-OE2 3.06Å; R153-E195 PolarHBondContact NH1-OE2 2.98Å; R153-E195 IonicContact NH2-OE2 2.7Å; R153-E195 PolarHBondContact NH2-OE2 3.36Å
154	W	91.8	Very high	90.1	Very high	13 Å²	13	49.6 Å²	49.6	5%	0.049	28%	0.277	C	S	.	.	H	α-helix	trans	-109.4	1.1	-171.3	-80.1	86.6	0	0	0	114.6	T150 V151 S152 C156 K157 F158 V184 K187 F188 D191	T150-W154 PolarHBondContact O-N 3.45Å; T150-W154 VanDerWaalsContact O-N 3.15Å; V151-W154 CarbonylContact O-C 3.59Å; V151-W154 PolarHBondContact O-N 3.13Å; S152-W154 VanDerWaalsContact C-N 3.26Å; S152-W154 PolarHBondContact O-N 3.4Å; W154-C156 PolarHBondContact O-N 3.49Å; W154-K157 HydrophobicContact CD2-CD 4.23Å; W154-K157 HydrophobicContact CE3-CB 3.93Å; W154-K157 HydrophobicContact CE3-CD 3.93Å; W154-K157 HydrophobicContact CZ3-CB 4.46Å; W154-K157 HydrophobicContact CZ3-CD 4.45Å; W154-K157 WeakPolarHBondContact O-CB 3.21Å; W154-K157 PolarHBondContact O-N 2.94Å; W154-K157 VanDerWaalsContact O-N 3.16Å; W154-F158 HydrophobicContact CE3-CD1 4.44Å; W154-F158 AromaticContact CE3-CE1 3.9Å; W154-F158 HydrophobicContact CE3-CE1 3.9Å; W154-V184 HydrophobicContact CZ3-CG1 3.78Å; W154-V184 WeakPolarHBondContact CZ3-O 3.47Å; W154-K187 HydrophobicContact CH2-CB 3.78Å; W154-K187 HydrophobicContact CH2-CD 3.93Å; W154-K187 HydrophobicContact CH2-CG 3.69Å; W154-K187 HydrophobicContact CZ2-CB 4.25Å; W154-K187 HydrophobicContact CZ2-CD 4.26Å; W154-K187 HydrophobicContact CZ2-CG 3.81Å; W154-F188 HydrophobicContact CB-CD2 3.76Å; W154-F188 HydrophobicContact CB-CE2 4.11Å; W154-F188 AromaticContact CD1-CD2 3.84Å; W154-F188 HydrophobicContact CD2-CB 3.97Å; W154-F188 AromaticContact CD2-CD2 3.85Å; W154-F188 HydrophobicContact CD2-CD2 3.85Å; W154-F188 HydrophobicContact CD2-CG 4.42Å; W154-F188 HydrophobicContact CE3-CB 3.96Å; W154-F188 HydrophobicContact CE3-CD2 4.41Å; W154-F188 AromaticContact CG-CD2 3.54Å; W154-F188 HydrophobicContact CG-CD2 3.54Å; W154-F188 HydrophobicContact CG-CE2 4.26Å; W154-F188 HydrophobicContact CH2-CB 4.23Å; W154-F188 HydrophobicContact CZ2-CB 4.25Å; W154-F188 HydrophobicContact CZ3-CB 4.08Å; W154-D191 VanDerWaalsContact CE2-OD2 3.28Å; W154-D191 WeakPolarHBondContact CZ2-OD2 3.42Å; W154-D191 PolarHBondContact NE1-OD2 2.89Å
155	K	85.6	Confident	90.2	Very high	94 Å²	94	53.5 Å²	53.5	41%	0.409	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50	136.9	171.6	-71.8	-171.9	175.3	-174.8	0	111.3	V151 K157	V151-K155 WeakPolarHBondContact O-CG 3.39Å; V151-K155 PolarHBondContact O-N 3.35Å; K155-K157 PolarHBondContact O-N 3.35Å; K155-K157 VanDerWaalsContact O-N 3.16Å
156	C	80.6	Confident	90.3	Very high	86 Å²	86	51.9 Å²	51.9	58%	0.581	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.4	10.4	179.4	-50.8	0	0	0	0	116.4	W154 I331	W154-C156 PolarHBondContact O-N 3.49Å; C156-I331 PolarHBondContact N-O 3.05Å
157	K	85.1	Confident	90.3	Very high	121 Å²	121	57.5 Å²	57.5	53%	0.526	31%	0.306	S	S	.	.			trans	-93.1	-7.8	178.5	-63.9	-172.1	-179.4	161.8	0	113.9	R153 W154 K155	R153-K157 VanDerWaalsContact O-CE 3.3Å; R153-K157 WeakPolarHBondContact O-CE 3.42Å; R153-K157 PolarHBondContact O-NZ 3.38Å; W154-K157 HydrophobicContact CD2-CD 4.23Å; W154-K157 HydrophobicContact CE3-CB 3.93Å; W154-K157 HydrophobicContact CE3-CD 3.93Å; W154-K157 HydrophobicContact CZ3-CB 4.46Å; W154-K157 HydrophobicContact CZ3-CD 4.45Å; W154-K157 WeakPolarHBondContact O-CB 3.21Å; W154-K157 PolarHBondContact O-N 2.94Å; W154-K157 VanDerWaalsContact O-N 3.16Å; K155-K157 PolarHBondContact O-N 3.35Å; K155-K157 VanDerWaalsContact O-N 3.16Å
158	F	84.6	Confident	90.3	Very high	27 Å²	27	59.4 Å²	59.4	12%	0.118	32%	0.318	C	S	.	.	S	Bend	trans	-90	142.6	-178.1	-74.8	27	0	0	0	109.6	L94 W154 A160 V184 L185 F188 I331	L94-F158 HydrophobicContact CD1-CE2 3.94Å; L94-F158 HydrophobicContact CD2-CD2 4.48Å; L94-F158 HydrophobicContact CD2-CE2 3.96Å; W154-F158 HydrophobicContact CE3-CD1 4.44Å; W154-F158 AromaticContact CE3-CE1 3.9Å; W154-F158 HydrophobicContact CE3-CE1 3.9Å; F158-A160 PolarHBondContact O-N 3.03Å; F158-V184 HydrophobicContact CD1-CG1 4.49Å; F158-L185 HydrophobicContact CD1-CD2 4.39Å; F158-L185 HydrophobicContact CD2-CD2 3.55Å; F158-L185 HydrophobicContact CE1-CD2 4.04Å; F158-L185 HydrophobicContact CE2-CD2 3.08Å; F158-L185 HydrophobicContact CG-CD2 4.18Å; F158-L185 HydrophobicContact CZ-CD2 3.38Å; F158-F188 HydrophobicContact CE1-CB 4.15Å; F158-F188 HydrophobicContact CE1-CD2 4.35Å; F158-F188 HydrophobicContact CE1-CG 4.18Å; F158-F188 HydrophobicContact CZ-CB 4.11Å; F158-F188 AromaticContact CZ-CD1 4Å; F158-F188 HydrophobicContact CZ-CD1 4Å; F158-F188 HydrophobicContact CZ-CD2 4.21Å; F158-F188 AromaticContact CZ-CG 3.83Å; F158-F188 HydrophobicContact CZ-CG 3.83Å; F158-I331 HydrophobicContact CB-CG2 4.23Å; F158-I331 HydrophobicContact CD1-CG2 3.85Å; F158-I331 HydrophobicContact CD2-CB 4.45Å; F158-I331 HydrophobicContact CD2-CD1 3.73Å; F158-I331 HydrophobicContact CD2-CG2 3.84Å; F158-I331 HydrophobicContact CE1-CD1 4.33Å; F158-I331 HydrophobicContact CE1-CG2 4.13Å; F158-I331 HydrophobicContact CE2-CD1 3.11Å; F158-I331 HydrophobicContact CE2-CG1 4.37Å; F158-I331 HydrophobicContact CE2-CG2 4.13Å; F158-I331 HydrophobicContact CG-CG2 3.7Å; F158-I331 HydrophobicContact CZ-CD1 3.47Å; F158-I331 VanDerWaalsContact CZ-CD1 3.47Å; F158-I331 HydrophobicContact CZ-CG2 4.27Å
159	S	80.7	Confident	90.3	Very high	51 Å²	51	56.5 Å²	56.5	36%	0.357	31%	0.308	S	S	.	.			trans	-58.8	130.7	171	-55.8	0	0	0	0	110.1	P161 L162 S181	S159-P161 CarbonylContact C-O 3.5Å; S159-P161 CarbonylContact O-C 3.48Å; S159-P161 VanDerWaalsContact O-C 3.3Å; S159-L162 WeakPolarHBondContact O-CA 3.14Å; S159-L162 PolarHBondContact O-N 2.96Å; S159-L162 VanDerWaalsContact O-N 3.17Å; S159-S181 PolarHBondContact OG-OG 3.36Å
160	A	79.1	Confident	90.1	Very high	79 Å²	79	58.8 Å²	58.8	65%	0.653	33%	0.326	S	S	*	.	S	Bend	trans	-127.2	107.5	177	0	0	0	0	0	109.6	F158	F158-A160 PolarHBondContact O-N 3.03Å
161	P	84.1	Confident	89.8	Confident	72 Å²	72	62 Å²	62	47%	0.468	34%	0.344	S	S	.	.	S	Bend	cis	-71.7	154.7	-0.5	31.2	-35.3	0	0	0	113.1	S159	S159-P161 CarbonylContact C-O 3.5Å; S159-P161 CarbonylContact O-C 3.48Å; S159-P161 VanDerWaalsContact O-C 3.3Å
162	L	89.4	Confident	89.9	Confident	8 Å²	8	63.9 Å²	63.9	4%	0.042	35%	0.351	C	S	.	.			trans	-69.2	124.4	171.8	-172.3	73.6	0	0	0	108.6	I127 S159 L164 V177 L185 W242	I127-L162 HydrophobicContact CD1-CD2 3.9Å; S159-L162 WeakPolarHBondContact O-CA 3.14Å; S159-L162 PolarHBondContact O-N 2.96Å; S159-L162 VanDerWaalsContact O-N 3.17Å; L162-L164 HydrophobicContact CD2-CD2 4.31Å; L162-L164 PolarHBondContact O-N 3.44Å; L162-V177 HydrophobicContact CD1-CG1 4.03Å; L162-V177 HydrophobicContact CD2-CG1 4.22Å; L162-V177 HydrophobicContact CD2-CG2 4.02Å; L162-V177 HydrophobicContact CG-CG1 4.11Å; L162-L185 HydrophobicContact CD1-CD1 4.23Å; L162-L185 HydrophobicContact CD2-CD1 4.17Å; L162-W242 HydrophobicContact CB-CZ2 4.37Å; L162-W242 VanDerWaalsContact CB-NE1 3.31Å; L162-W242 HydrophobicContact CD2-CD2 4.25Å; L162-W242 HydrophobicContact CD2-CH2 4.37Å; L162-W242 HydrophobicContact CD2-CZ2 3.7Å
163	P	91.8	Very high	90.1	Very high	39 Å²	39	60.7 Å²	60.7	25%	0.253	33%	0.33	S	S	.	.			trans	-74.1	112.4	-176.2	29.1	-34.8	0	0	0	111.1	K178 S181	P163-K178 HydrophobicContact CB-CB 4.15Å; P163-K178 HydrophobicContact CB-CD 3.79Å; P163-K178 HydrophobicContact CB-CG 3.87Å; P163-K178 HydrophobicContact CG-CB 3.91Å; P163-K178 HydrophobicContact CG-CD 4.31Å; P163-K178 HydrophobicContact CG-CG 4.2Å; P163-K178 PolarHBondContact O-N 2.85Å; P163-S181 WeakPolarHBondContact CD-OG 3.33Å; P163-S181 VanDerWaalsContact CG-OG 3.28Å; P163-S181 WeakPolarHBondContact CG-OG 3.4Å
164	L	94.6	Very high	90.3	Very high	14 Å²	14	55.8 Å²	55.8	7%	0.073	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	138.7	178.3	-63.9	174.8	0	0	0	111.2	L100 L162 L175 F176 V177 V236 W242	L100-L164 HydrophobicContact CD2-CD1 3.97Å; L162-L164 HydrophobicContact CD2-CD2 4.31Å; L162-L164 PolarHBondContact O-N 3.44Å; L164-L175 HydrophobicContact CB-CB 4.32Å; L164-L175 HydrophobicContact CD1-CB 4.43Å; L164-L175 HydrophobicContact CD1-CD1 4.28Å; L164-L175 HydrophobicContact CD2-CB 4.46Å; L164-F176 CarbonylContact C-O 3.59Å; L164-F176 VanDerWaalsContact CA-O 3.29Å; L164-F176 WeakPolarHBondContact CA-O 3.31Å; L164-V177 HydrophobicContact CD2-CG2 3.9Å; L164-V236 HydrophobicContact CB-CB 4.14Å; L164-V236 HydrophobicContact CB-CG1 4.2Å; L164-V236 HydrophobicContact CD1-CB 4.49Å; L164-V236 HydrophobicContact CD1-CG1 4.38Å; L164-W242 HydrophobicContact CD1-CZ2 4.16Å
165	E	95.2	Very high	90.6	Very high	102 Å²	102	55.2 Å²	55.2	48%	0.477	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	127.5	176.3	-66.1	-170.1	149.5	0	0	110.8	Y167 L175 F176 K178	E165-Y167 PolarHBondContact O-N 3.4Å; E165-L175 CarbonylContact O-C 3.6Å; E165-L175 WeakPolarHBondContact O-CA 3.24Å; E165-F176 PolarHBondContact N-O 3.33Å; E165-F176 PolarHBondContact O-N 3.06Å; E165-K178 HydrophobicContact CG-CG 4.18Å; E165-K178 WeakPolarHBondContact OE1-CE 3.44Å; E165-K178 IonicContact OE1-NZ 2.79Å; E165-K178 PolarHBondContact OE1-NZ 3.48Å
166	L	96.6	Very high	91.1	Very high	66 Å²	66	52.1 Å²	52.1	35%	0.346	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	127.8	176.4	178.4	64.8	0	0	0	110	I173 L175 L215 A231 Q232	L166-I173 HydrophobicContact CD1-CG2 3.99Å; L166-L175 HydrophobicContact CB-CD2 3.99Å; L166-L175 HydrophobicContact CD1-CD2 3.8Å; L166-L215 HydrophobicContact CD1-CD1 4.25Å; L166-A231 HydrophobicContact CD1-CB 3.88Å; L166-A231 HydrophobicContact CD2-CB 4.27Å; L166-Q232 HydrophobicContact CD2-CG 3.92Å
167	Y	96.8	Very high	91.9	Very high	117 Å²	117	48.1 Å²	48.1	46%	0.459	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.5	171.6	174.7	-95.5	0	0	0	109.7	E165 F172 I173 G174 F176	E165-Y167 PolarHBondContact O-N 3.4Å; Y167-F172 AromaticContact CD1-CD1 3.98Å; Y167-F172 HydrophobicContact CD1-CD1 3.98Å; Y167-F172 HydrophobicContact CD1-CE1 4.32Å; Y167-F172 HydrophobicContact CE1-CD1 4.19Å; Y167-I173 WeakPolarHBondContact O-CA 3.42Å; Y167-G174 PolarHBondContact N-O 2.92Å; Y167-G174 PolarHBondContact O-N 3.37Å; Y167-F176 VanDerWaalsContact CB-CD2 3.46Å; Y167-F176 HydrophobicContact CD1-CD2 4.48Å; Y167-F176 AromaticContact CD1-CE2 3.66Å; Y167-F176 HydrophobicContact CD1-CE2 3.66Å; Y167-F176 HydrophobicContact CD1-CZ 4.4Å; Y167-F176 HydrophobicContact CG-CD2 4.15Å; Y167-F176 AromaticContact CG-CE2 3.75Å; Y167-F176 HydrophobicContact CG-CE2 3.75Å
168	T	95.8	Very high	92.3	Very high	42 Å²	42	46.9 Å²	46.9	26%	0.258	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	141.5	173.6	-53.5	0	0	0	0	111.2	I173 L224 E228	T168-I173 HydrophobicContact CG2-CD1 4.23Å; T168-I173 HydrophobicContact CG2-CG1 3.65Å; T168-L224 HydrophobicContact CG2-CD1 3.73Å; T168-E228 HydrophobicContact CG2-CG 3.52Å; T168-E228 WeakPolarHBondContact CG2-OE1 3.46Å
169	S	94.2	Very high	92.7	Very high	33 Å²	33	50.1 Å²	50.1	23%	0.231	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	174.5	171.4	68.9	0	0	0	0	109.7	N171 F172	S169-N171 PolarHBondContact O-N 2.9Å; S169-F172 PolarHBondContact N-O 3.42Å; S169-F172 PolarHBondContact O-N 3.26Å; S169-F172 WeakPolarHBondContact OG-CB 3.45Å; S169-F172 PolarHBondContact OG-N 3.06Å; S169-F172 PolarHBondContact OG-O 2.97Å; S169-F172 VanDerWaalsContact OG-O 3.05Å
170	S	90.3	Very high	93.2	Very high	98 Å²	98	54.4 Å²	54.4	69%	0.685	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-20.5	-176	54.9	0	0	0	0	115.8
171	N	89.9	Confident	93.8	Very high	68 Å²	68	51 Å²	51	36%	0.364	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-142.1	14	-178.3	-168.5	30.6	0	0	0	113.8	S169 Y217 H218	S169-N171 PolarHBondContact O-N 2.9Å; N171-Y217 WeakPolarHBondContact O-CA 3.46Å; N171-H218 PolarHBondContact O-N 2.87Å; N171-H218 WeakPolarHBondContact OD1-CA 3.31Å; N171-H218 PolarHBondContact OD1-N 3.15Å; N171-H218 VanDerWaalsContact OD1-N 3.1Å
172	F	96.3	Very high	94.3	Very high	41 Å²	41	47.6 Å²	47.6	18%	0.18	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	133.2	-179.9	-179.1	-86.6	0	0	0	111.3	Y167 S169 F176 H212 T214 A216 Y217	Y167-F172 AromaticContact CD1-CD1 3.98Å; Y167-F172 HydrophobicContact CD1-CD1 3.98Å; Y167-F172 HydrophobicContact CD1-CE1 4.32Å; Y167-F172 HydrophobicContact CE1-CD1 4.19Å; S169-F172 PolarHBondContact N-O 3.42Å; S169-F172 PolarHBondContact O-N 3.26Å; S169-F172 WeakPolarHBondContact OG-CB 3.45Å; S169-F172 PolarHBondContact OG-N 3.06Å; S169-F172 PolarHBondContact OG-O 2.97Å; S169-F172 VanDerWaalsContact OG-O 3.05Å; F172-F176 AromaticContact CE1-CE2 3.77Å; F172-F176 HydrophobicContact CE1-CE2 3.77Å; F172-F176 AromaticContact CE1-CZ 3.91Å; F172-F176 HydrophobicContact CE1-CZ 3.91Å; F172-F176 HydrophobicContact CZ-CZ 4.47Å; F172-H212 AromaticContact CZ-CD2 3.71Å; F172-H212 AromaticContact CZ-NE2 3.88Å; F172-T214 HydrophobicContact CE2-CG2 3.94Å; F172-A216 CarbonylContact C-O 3.44Å; F172-A216 WeakPolarHBondContact CA-O 3.29Å; F172-Y217 HydrophobicContact CD2-CG 4.5Å
173	I	97.6	Very high	94.5	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	129.8	173.3	-58.9	170.4	0	0	0	107.7	L166 Y167 T168 L215 A216 F219 L224 L227 E228 A231	L166-I173 HydrophobicContact CD1-CG2 3.99Å; Y167-I173 WeakPolarHBondContact O-CA 3.42Å; T168-I173 HydrophobicContact CG2-CD1 4.23Å; T168-I173 HydrophobicContact CG2-CG1 3.65Å; I173-L215 HydrophobicContact CB-CB 4.48Å; I173-L215 HydrophobicContact CG2-CB 4.12Å; I173-L215 HydrophobicContact CG2-CD1 4.11Å; I173-L215 WeakPolarHBondContact O-CB 3.3Å; I173-L215 PolarHBondContact O-N 2.7Å; I173-A216 HydrophobicContact CB-CB 4.31Å; I173-A216 HydrophobicContact CD1-CB 4.41Å; I173-A216 PolarHBondContact N-O 2.95Å; I173-A216 PolarHBondContact O-N 3.5Å; I173-A216 VanDerWaalsContact O-N 3.07Å; I173-F219 HydrophobicContact CD1-CE1 4.25Å; I173-F219 HydrophobicContact CD1-CZ 4.07Å; I173-F219 HydrophobicContact CG1-CE1 4.23Å; I173-F219 HydrophobicContact CG1-CZ 4.11Å; I173-L224 HydrophobicContact CD1-CD1 4.18Å; I173-L227 HydrophobicContact CD1-CB 3.45Å; I173-L227 VanDerWaalsContact CD1-CB 3.45Å; I173-L227 HydrophobicContact CD1-CD1 4.49Å; I173-E228 HydrophobicContact CD1-CG 4.5Å; I173-A231 HydrophobicContact CG2-CB 3.8Å
174	G	97.4	Very high	94.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	164.9	179.6	0	0	0	0	0	113.6	Y167 V213	Y167-G174 PolarHBondContact N-O 2.92Å; Y167-G174 PolarHBondContact O-N 3.37Å; G174-V213 CarbonylContact C-O 3.5Å; G174-V213 WeakPolarHBondContact CA-O 3.36Å
175	L	97.1	Very high	94.6	Very high	1 Å²	1	51.6 Å²	51.6	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	107.6	175	-57.9	174.4	0	0	0	109	L104 L164 E165 L166 H212 V213 L215 I234 V236	L104-L175 HydrophobicContact CD2-CD1 3.85Å; L164-L175 HydrophobicContact CB-CB 4.32Å; L164-L175 HydrophobicContact CD1-CB 4.43Å; L164-L175 HydrophobicContact CD1-CD1 4.28Å; L164-L175 HydrophobicContact CD2-CB 4.46Å; E165-L175 CarbonylContact O-C 3.6Å; E165-L175 WeakPolarHBondContact O-CA 3.24Å; L166-L175 HydrophobicContact CB-CD2 3.99Å; L166-L175 HydrophobicContact CD1-CD2 3.8Å; L175-H212 CarbonylContact O-C 3.56Å; L175-H212 WeakPolarHBondContact O-CA 3.37Å; L175-H212 WeakPolarHBondContact O-CB 3.23Å; L175-V213 HydrophobicContact CB-CB 4.26Å; L175-V213 PolarHBondContact N-O 2.89Å; L175-V213 PolarHBondContact O-N 3.2Å; L175-L215 HydrophobicContact CD1-CD1 4.32Å; L175-L215 HydrophobicContact CD1-CD2 4.4Å; L175-L215 HydrophobicContact CD2-CD1 4.12Å; L175-L215 HydrophobicContact CG-CD1 3.84Å; L175-L215 HydrophobicContact CG-CG 4.25Å; L175-I234 HydrophobicContact CD1-CG2 4.39Å; L175-V236 HydrophobicContact CD1-CG1 3.87Å; L175-V236 HydrophobicContact CD2-CG1 3.95Å
176	F	97	Very high	94.6	Very high	30 Å²	30	48.5 Å²	48.5	13%	0.132	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	139.4	-178.9	-76.3	-93.6	0	0	0	111.7	L164 E165 Y167 F172 Q210 H212	L164-F176 CarbonylContact C-O 3.59Å; L164-F176 VanDerWaalsContact CA-O 3.29Å; L164-F176 WeakPolarHBondContact CA-O 3.31Å; E165-F176 PolarHBondContact N-O 3.33Å; E165-F176 PolarHBondContact O-N 3.06Å; Y167-F176 VanDerWaalsContact CB-CD2 3.46Å; Y167-F176 HydrophobicContact CD1-CD2 4.48Å; Y167-F176 AromaticContact CD1-CE2 3.66Å; Y167-F176 HydrophobicContact CD1-CE2 3.66Å; Y167-F176 HydrophobicContact CD1-CZ 4.4Å; Y167-F176 HydrophobicContact CG-CD2 4.15Å; Y167-F176 AromaticContact CG-CE2 3.75Å; Y167-F176 HydrophobicContact CG-CE2 3.75Å; F172-F176 AromaticContact CE1-CE2 3.77Å; F172-F176 HydrophobicContact CE1-CE2 3.77Å; F172-F176 AromaticContact CE1-CZ 3.91Å; F172-F176 HydrophobicContact CE1-CZ 3.91Å; F172-F176 HydrophobicContact CZ-CZ 4.47Å; F176-Q210 HydrophobicContact CD1-CB 3.97Å; F176-Q210 HydrophobicContact CD1-CG 3.63Å; F176-Q210 VanDerWaalsContact CD1-OE1 3.26Å; F176-Q210 HydrophobicContact CE1-CB 4.02Å; F176-Q210 HydrophobicContact CE1-CG 4.18Å; F176-H212 HydrophobicContact CD1-CB 3.71Å; F176-H212 HydrophobicContact CD2-CB 4.33Å; F176-H212 HydrophobicContact CE1-CB 3.89Å; F176-H212 AromaticContact CE1-ND1 3.89Å; F176-H212 HydrophobicContact CE2-CB 4.47Å; F176-H212 HydrophobicContact CG-CB 3.98Å; F176-H212 HydrophobicContact CZ-CB 4.28Å
177	V	95.6	Very high	94.5	Very high	1 Å²	1	51.7 Å²	51.7	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	132.4	171.6	-172.8	0	0	0	0	108.6	I127 L162 L164 A182 L185 L211	I127-V177 HydrophobicContact CD1-CG2 3.69Å; L162-V177 HydrophobicContact CD1-CG1 4.03Å; L162-V177 HydrophobicContact CD2-CG1 4.22Å; L162-V177 HydrophobicContact CD2-CG2 4.02Å; L162-V177 HydrophobicContact CG-CG1 4.11Å; L164-V177 HydrophobicContact CD2-CG2 3.9Å; V177-A182 HydrophobicContact CB-CB 4.25Å; V177-A182 HydrophobicContact CG1-CB 4.17Å; V177-L185 HydrophobicContact CG1-CD1 4.18Å; V177-L185 HydrophobicContact CG2-CD1 4.3Å; V177-L211 HydrophobicContact CB-CB 4.31Å; V177-L211 HydrophobicContact CG2-CB 4.04Å; V177-L211 PolarHBondContact N-O 3.49Å
178	K	94.4	Very high	94.5	Very high	96 Å²	96	46.1 Å²	46.1	42%	0.417	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-57.5	144.1	173.9	-71.8	-166.6	172.6	-170.1	0	111.7	P163 E165 D180 S181 A182	P163-K178 HydrophobicContact CB-CB 4.15Å; P163-K178 HydrophobicContact CB-CD 3.79Å; P163-K178 HydrophobicContact CB-CG 3.87Å; P163-K178 HydrophobicContact CG-CB 3.91Å; P163-K178 HydrophobicContact CG-CD 4.31Å; P163-K178 HydrophobicContact CG-CG 4.2Å; P163-K178 PolarHBondContact O-N 2.85Å; E165-K178 HydrophobicContact CG-CG 4.18Å; E165-K178 WeakPolarHBondContact OE1-CE 3.44Å; E165-K178 IonicContact OE1-NZ 2.79Å; E165-K178 PolarHBondContact OE1-NZ 3.48Å; K178-D180 VanDerWaalsContact C-N 3.35Å; K178-D180 PolarHBondContact O-N 3.1Å; K178-S181 PolarHBondContact O-N 2.81Å; K178-A182 PolarHBondContact O-N 3.16Å
179	E	92.4	Very high	94.6	Very high	94 Å²	94	44.2 Å²	44.2	44%	0.439	23%	0.227	S	C	.	.	H	α-helix	trans	-51.4	-47.9	-170.5	-159.4	62.6	-151.9	0	0	113.3	S181 A182 E183 K186	E179-S181 VanDerWaalsContact C-N 3.3Å; E179-S181 PolarHBondContact O-N 3.34Å; E179-A182 WeakPolarHBondContact O-CA 3.15Å; E179-A182 WeakPolarHBondContact O-CB 3.42Å; E179-A182 PolarHBondContact O-N 2.99Å; E179-E183 PolarHBondContact O-N 2.84Å; E179-K186 IonicContact OE1-NZ 3.11Å; E179-K186 PolarHBondContact OE1-NZ 3.28Å
180	D	91.8	Very high	94.7	Very high	142 Å²	142	44.7 Å²	44.7	76%	0.759	23%	0.233	S	C	*	.	H	α-helix	trans	-57.5	-41.4	-179.8	-62	-26.7	0	0	0	112.8	K178 V184	K178-D180 VanDerWaalsContact C-N 3.35Å; K178-D180 PolarHBondContact O-N 3.1Å; D180-V184 WeakPolarHBondContact O-CG2 3.2Å
181	S	92.4	Very high	95	Very high	8 Å²	8	42.7 Å²	42.7	6%	0.056	22%	0.215	C	C	.	.	H	α-helix	trans	-79	-31	176.7	-64.7	0	0	0	0	111.8	S159 P163 K178 E179 E183 V184 L185	S159-S181 PolarHBondContact OG-OG 3.36Å; P163-S181 WeakPolarHBondContact CD-OG 3.33Å; P163-S181 VanDerWaalsContact CG-OG 3.28Å; P163-S181 WeakPolarHBondContact CG-OG 3.4Å; K178-S181 PolarHBondContact O-N 2.81Å; E179-S181 VanDerWaalsContact C-N 3.3Å; E179-S181 PolarHBondContact O-N 3.34Å; S181-E183 VanDerWaalsContact C-N 3.35Å; S181-V184 PolarHBondContact O-N 2.83Å; S181-L185 WeakPolarHBondContact O-CG 3.43Å; S181-L185 PolarHBondContact O-N 3.29Å; S181-L185 VanDerWaalsContact O-N 3.11Å
182	A	94	Very high	95.4	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63.6	-40	175.5	0	0	0	0	0	111.4	V177 K178 E179 V184 L185 K186 L211	V177-A182 HydrophobicContact CB-CB 4.25Å; V177-A182 HydrophobicContact CG1-CB 4.17Å; K178-A182 PolarHBondContact O-N 3.16Å; E179-A182 WeakPolarHBondContact O-CA 3.15Å; E179-A182 WeakPolarHBondContact O-CB 3.42Å; E179-A182 PolarHBondContact O-N 2.99Å; A182-V184 VanDerWaalsContact C-N 3.35Å; A182-V184 PolarHBondContact O-N 3.27Å; A182-L185 PolarHBondContact O-N 2.97Å; A182-K186 VanDerWaalsContact O-CG 3.31Å; A182-K186 WeakPolarHBondContact O-CG 3.49Å; A182-K186 PolarHBondContact O-N 2.94Å; A182-L211 HydrophobicContact CB-CD1 4.47Å
183	E	93.6	Very high	95.4	Very high	95 Å²	95	38 Å²	38	44%	0.444	19%	0.193	S	C	.	.	H	α-helix	trans	-63	-38.7	175.5	-71.3	-54.2	119.6	0	0	112.6	E179 S181 K186 K187	E179-E183 PolarHBondContact O-N 2.84Å; S181-E183 VanDerWaalsContact C-N 3.35Å; E183-K186 PolarHBondContact O-N 2.81Å; E183-K186 WeakPolarHBondContact OE1-CD 3.31Å; E183-K186 IonicContact OE1-NZ 2.8Å; E183-K186 PolarHBondContact OE1-NZ 2.83Å; E183-K187 WeakPolarHBondContact O-CB 3.43Å; E183-K187 PolarHBondContact O-N 3.05Å
184	V	93.7	Very high	95.4	Very high	48 Å²	48	41 Å²	41	29%	0.291	22%	0.218	S	C	.	.	H	α-helix	trans	-61.5	-45.1	173.6	176.8	0	0	0	0	110.7	W154 F158 D180 S181 A182 K187 F188	W154-V184 HydrophobicContact CZ3-CG1 3.78Å; W154-V184 WeakPolarHBondContact CZ3-O 3.47Å; F158-V184 HydrophobicContact CD1-CG1 4.49Å; D180-V184 WeakPolarHBondContact O-CG2 3.2Å; S181-V184 PolarHBondContact O-N 2.83Å; A182-V184 VanDerWaalsContact C-N 3.35Å; A182-V184 PolarHBondContact O-N 3.27Å; V184-K187 PolarHBondContact O-N 2.8Å; V184-F188 PolarHBondContact O-N 2.93Å
185	L	94.7	Very high	95.4	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-67	-39.9	177.4	-65.9	-177.3	0	0	0	112.8	L94 L129 F158 L162 V177 S181 A182 K187 F188 A189 L211	L94-L185 HydrophobicContact CD2-CD1 4.23Å; L94-L185 HydrophobicContact CD2-CD2 3.94Å; L129-L185 HydrophobicContact CD2-CB 4.43Å; F158-L185 HydrophobicContact CD1-CD2 4.39Å; F158-L185 HydrophobicContact CD2-CD2 3.55Å; F158-L185 HydrophobicContact CE1-CD2 4.04Å; F158-L185 HydrophobicContact CE2-CD2 3.08Å; F158-L185 HydrophobicContact CG-CD2 4.18Å; F158-L185 HydrophobicContact CZ-CD2 3.38Å; L162-L185 HydrophobicContact CD1-CD1 4.23Å; L162-L185 HydrophobicContact CD2-CD1 4.17Å; V177-L185 HydrophobicContact CG1-CD1 4.18Å; V177-L185 HydrophobicContact CG2-CD1 4.3Å; S181-L185 WeakPolarHBondContact O-CG 3.43Å; S181-L185 PolarHBondContact O-N 3.29Å; S181-L185 VanDerWaalsContact O-N 3.11Å; A182-L185 PolarHBondContact O-N 2.97Å; L185-K187 VanDerWaalsContact C-N 3.32Å; L185-K187 PolarHBondContact O-N 3.49Å; L185-F188 WeakPolarHBondContact O-CB 3.36Å; L185-F188 PolarHBondContact O-N 3.42Å; L185-A189 PolarHBondContact O-N 3.13Å; L185-L211 HydrophobicContact CB-CD1 3.46Å; L185-L211 VanDerWaalsContact CB-CD1 3.46Å; L185-L211 HydrophobicContact CD1-CD1 3.9Å; L185-L211 HydrophobicContact CG-CD1 4.33Å
186	K	95.1	Very high	95.4	Very high	37 Å²	37	42.5 Å²	42.5	16%	0.161	23%	0.225	C	C	.	.	H	α-helix	trans	-62.7	-40.5	174.8	-71.9	173.2	-163.8	164.9	0	111	E179 A182 E183 A189 A190 L211	E179-K186 IonicContact OE1-NZ 3.11Å; E179-K186 PolarHBondContact OE1-NZ 3.28Å; A182-K186 VanDerWaalsContact O-CG 3.31Å; A182-K186 WeakPolarHBondContact O-CG 3.49Å; A182-K186 PolarHBondContact O-N 2.94Å; E183-K186 PolarHBondContact O-N 2.81Å; E183-K186 WeakPolarHBondContact OE1-CD 3.31Å; E183-K186 IonicContact OE1-NZ 2.8Å; E183-K186 PolarHBondContact OE1-NZ 2.83Å; K186-A189 PolarHBondContact O-N 2.97Å; K186-A190 PolarHBondContact O-N 3.26Å; K186-L211 HydrophobicContact CG-CD1 4.22Å
187	K	95.4	Very high	95.4	Very high	133 Å²	133	43.1 Å²	43.1	58%	0.578	24%	0.235	S	C	*	.	H	α-helix	trans	-65.7	-39.4	175	-172.3	177.7	178.3	167.1	0	112.1	W154 E183 V184 L185 A189 A190 D191	W154-K187 HydrophobicContact CH2-CB 3.78Å; W154-K187 HydrophobicContact CH2-CD 3.93Å; W154-K187 HydrophobicContact CH2-CG 3.69Å; W154-K187 HydrophobicContact CZ2-CB 4.25Å; W154-K187 HydrophobicContact CZ2-CD 4.26Å; W154-K187 HydrophobicContact CZ2-CG 3.81Å; E183-K187 WeakPolarHBondContact O-CB 3.43Å; E183-K187 PolarHBondContact O-N 3.05Å; V184-K187 PolarHBondContact O-N 2.8Å; L185-K187 VanDerWaalsContact C-N 3.32Å; L185-K187 PolarHBondContact O-N 3.49Å; K187-A189 VanDerWaalsContact C-N 3.34Å; K187-A189 PolarHBondContact O-N 3.34Å; K187-A190 PolarHBondContact O-N 2.94Å; K187-D191 PolarHBondContact O-N 3.23Å
188	F	96.1	Very high	95.4	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-58	-45.4	170.5	166.8	-100.9	0	0	0	112	L92 L129 L147 T150 V151 W154 F158 V184 L185 A190 D191 F192 A244	L92-F188 HydrophobicContact CD2-CE1 4.26Å; L129-F188 HydrophobicContact CD1-CD1 3.91Å; L129-F188 HydrophobicContact CD1-CE1 3.68Å; L147-F188 HydrophobicContact CD1-CZ 4.36Å; T150-F188 HydrophobicContact CG2-CD2 3.97Å; T150-F188 HydrophobicContact CG2-CE2 3.74Å; V151-F188 HydrophobicContact CG2-CE2 3.92Å; V151-F188 HydrophobicContact CG2-CZ 3.78Å; W154-F188 HydrophobicContact CB-CD2 3.76Å; W154-F188 HydrophobicContact CB-CE2 4.11Å; W154-F188 AromaticContact CD1-CD2 3.84Å; W154-F188 HydrophobicContact CD2-CB 3.97Å; W154-F188 AromaticContact CD2-CD2 3.85Å; W154-F188 HydrophobicContact CD2-CD2 3.85Å; W154-F188 HydrophobicContact CD2-CG 4.42Å; W154-F188 HydrophobicContact CE3-CB 3.96Å; W154-F188 HydrophobicContact CE3-CD2 4.41Å; W154-F188 AromaticContact CG-CD2 3.54Å; W154-F188 HydrophobicContact CG-CD2 3.54Å; W154-F188 HydrophobicContact CG-CE2 4.26Å; W154-F188 HydrophobicContact CH2-CB 4.23Å; W154-F188 HydrophobicContact CZ2-CB 4.25Å; W154-F188 HydrophobicContact CZ3-CB 4.08Å; F158-F188 HydrophobicContact CE1-CB 4.15Å; F158-F188 HydrophobicContact CE1-CD2 4.35Å; F158-F188 HydrophobicContact CE1-CG 4.18Å; F158-F188 HydrophobicContact CZ-CB 4.11Å; F158-F188 AromaticContact CZ-CD1 4Å; F158-F188 HydrophobicContact CZ-CD1 4Å; F158-F188 HydrophobicContact CZ-CD2 4.21Å; F158-F188 AromaticContact CZ-CG 3.83Å; F158-F188 HydrophobicContact CZ-CG 3.83Å; V184-F188 PolarHBondContact O-N 2.93Å; L185-F188 WeakPolarHBondContact O-CB 3.36Å; L185-F188 PolarHBondContact O-N 3.42Å; F188-A190 VanDerWaalsContact C-N 3.35Å; F188-A190 PolarHBondContact O-N 2.95Å; F188-D191 PolarHBondContact O-N 3.37Å; F188-F192 PolarHBondContact O-N 2.92Å; F188-A244 HydrophobicContact CE1-CB 4.22Å; F188-A244 HydrophobicContact CZ-CB 3.92Å
189	A	96.8	Very high	95.4	Very high	2 Å²	2	46.7 Å²	46.7	2%	0.017	26%	0.263	C	S	.	.	H	α-helix	trans	-64.4	-37.5	177.4	0	0	0	0	0	112.6	L129 L185 K186 K187 F192 A193 P206	L129-A189 HydrophobicContact CB-CB 4.11Å; L129-A189 WeakPolarHBondContact O-CB 3.35Å; L185-A189 PolarHBondContact O-N 3.13Å; K186-A189 PolarHBondContact O-N 2.97Å; K187-A189 VanDerWaalsContact C-N 3.34Å; K187-A189 PolarHBondContact O-N 3.34Å; A189-F192 PolarHBondContact O-N 2.7Å; A189-A193 WeakPolarHBondContact O-CB 3.46Å; A189-A193 PolarHBondContact O-N 3.31Å; A189-P206 HydrophobicContact CB-CB 4.1Å
190	A	97.1	Very high	95.4	Very high	43 Å²	43	42.4 Å²	42.4	36%	0.355	24%	0.244	S	C	.	.	H	α-helix	trans	-66.7	-41.7	174.8	0	0	0	0	0	112.6	K186 K187 F188 F192 A193 A194 P206	K186-A190 PolarHBondContact O-N 3.26Å; K187-A190 PolarHBondContact O-N 2.94Å; F188-A190 VanDerWaalsContact C-N 3.35Å; F188-A190 PolarHBondContact O-N 2.95Å; A190-F192 VanDerWaalsContact C-N 3.34Å; A190-A193 WeakPolarHBondContact O-CB 3.29Å; A190-A193 PolarHBondContact O-N 2.85Å; A190-A194 PolarHBondContact O-N 3.41Å; A190-P206 HydrophobicContact CB-CG 4.19Å
191	D	97.1	Very high	95.5	Very high	56 Å²	56	43.4 Å²	43.4	30%	0.299	24%	0.244	S	C	.	.	H	α-helix	trans	-64.8	-38.7	175	-78.1	6	0	0	0	111.4	T150 W154 K187 F188 A194 E195	T150-D191 HydrophobicContact CG2-CB 4.16Å; W154-D191 VanDerWaalsContact CE2-OD2 3.28Å; W154-D191 WeakPolarHBondContact CZ2-OD2 3.42Å; W154-D191 PolarHBondContact NE1-OD2 2.89Å; K187-D191 PolarHBondContact O-N 3.23Å; F188-D191 PolarHBondContact O-N 3.37Å; D191-A194 PolarHBondContact O-N 2.86Å; D191-E195 WeakPolarHBondContact O-CB 3.38Å; D191-E195 PolarHBondContact O-N 3.5Å
192	F	97.3	Very high	95.5	Very high	1 Å²	1	43.6 Å²	43.6	0%	0.004	25%	0.245	C	C	.	.	H	α-helix	trans	-62.1	-45	171.7	169.8	-107.9	0	0	0	111.3	L92 F133 L143 L147 T150 F188 A189 A190 A194 E195 A196 V204 I246	L92-F192 HydrophobicContact CB-CE1 4.19Å; L92-F192 HydrophobicContact CD2-CB 4.28Å; L92-F192 HydrophobicContact CD2-CD1 3.48Å; L92-F192 VanDerWaalsContact CD2-CD1 3.48Å; L92-F192 HydrophobicContact CD2-CD2 4.47Å; L92-F192 HydrophobicContact CD2-CE1 3.86Å; L92-F192 HydrophobicContact CD2-CG 3.81Å; L92-F192 HydrophobicContact CD2-CZ 4.5Å; F133-F192 HydrophobicContact CE1-CE1 4.37Å; F133-F192 HydrophobicContact CZ-CE1 4.25Å; F133-F192 HydrophobicContact CZ-CZ 4.36Å; L143-F192 HydrophobicContact CD1-CE2 4.33Å; L143-F192 HydrophobicContact CD1-CZ 3.86Å; L147-F192 HydrophobicContact CB-CD2 4.21Å; L147-F192 HydrophobicContact CB-CE2 3.8Å; L147-F192 HydrophobicContact CD1-CD2 3.96Å; L147-F192 HydrophobicContact CD1-CE2 4.13Å; T150-F192 HydrophobicContact CG2-CB 4.06Å; F188-F192 PolarHBondContact O-N 2.92Å; A189-F192 PolarHBondContact O-N 2.7Å; A190-F192 VanDerWaalsContact C-N 3.34Å; F192-A194 VanDerWaalsContact C-N 3.32Å; F192-A194 PolarHBondContact O-N 3.17Å; F192-E195 PolarHBondContact O-N 2.94Å; F192-A196 HydrophobicContact CE2-CB 4.46Å; F192-A196 HydrophobicContact CZ-CB 4.39Å; F192-A196 VanDerWaalsContact O-CB 3.31Å; F192-A196 WeakPolarHBondContact O-CB 3.48Å; F192-A196 PolarHBondContact O-N 2.86Å; F192-V204 HydrophobicContact CD1-CG1 4.29Å; F192-V204 HydrophobicContact CE1-CG1 4.17Å; F192-V204 HydrophobicContact CE1-CG2 4.28Å; F192-I246 HydrophobicContact CE2-CD1 4.34Å; F192-I246 HydrophobicContact CZ-CD1 4.09Å
193	A	97.4	Very high	95.5	Very high	11 Å²	11	51 Å²	51	9%	0.091	28%	0.279	C	S	.	.	H	α-helix	trans	-60.4	-41.4	178.2	0	0	0	0	0	112.3	A189 A190 A197 V204 P206	A189-A193 WeakPolarHBondContact O-CB 3.46Å; A189-A193 PolarHBondContact O-N 3.31Å; A190-A193 WeakPolarHBondContact O-CB 3.29Å; A190-A193 PolarHBondContact O-N 2.85Å; A193-A197 WeakPolarHBondContact O-CB 3.39Å; A193-A197 PolarHBondContact O-N 3.48Å; A193-V204 HydrophobicContact CB-CB 3.76Å; A193-V204 HydrophobicContact CB-CG1 4.08Å; A193-V204 WeakPolarHBondContact CB-O 3.31Å; A193-P206 HydrophobicContact CB-CG 4.02Å
194	A	97.6	Very high	95.6	Very high	63 Å²	63	46.7 Å²	46.7	52%	0.521	26%	0.259	S	S	.	.	H	α-helix	trans	-66.2	-42	175.4	0	0	0	0	0	112.3	A190 D191 F192 A197 S198	A190-A194 PolarHBondContact O-N 3.41Å; D191-A194 PolarHBondContact O-N 2.86Å; F192-A194 VanDerWaalsContact C-N 3.32Å; F192-A194 PolarHBondContact O-N 3.17Å; A194-A197 PolarHBondContact O-N 3.29Å; A194-S198 WeakPolarHBondContact O-CB 3.41Å; A194-S198 PolarHBondContact O-N 3.14Å
195	E	97.4	Very high	95.8	Very high	31 Å²	31	47.1 Å²	47.1	15%	0.145	26%	0.258	C	S	.	.	H	α-helix	trans	-66.1	-42.5	177.2	-166.3	69.4	-152.8	0	0	111.8	A146 R153 D191 F192 S198 K199	A146-E195 HydrophobicContact CB-CB 4.29Å; A146-E195 HydrophobicContact CB-CG 3.8Å; R153-E195 IonicContact CZ-OE2 2.69Å; R153-E195 IonicContact NH1-OE2 3.06Å; R153-E195 PolarHBondContact NH1-OE2 2.98Å; R153-E195 IonicContact NH2-OE2 2.7Å; R153-E195 PolarHBondContact NH2-OE2 3.36Å; D191-E195 WeakPolarHBondContact O-CB 3.38Å; D191-E195 PolarHBondContact O-N 3.5Å; F192-E195 PolarHBondContact O-N 2.94Å; E195-S198 PolarHBondContact O-N 3.45Å; E195-K199 PolarHBondContact O-N 2.77Å
196	A	96.6	Very high	95.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-61.7	-49.2	175.3	0	0	0	0	0	110.5	L143 F192 S198 K199 T200 V204	L143-A196 HydrophobicContact CD1-CB 3.97Å; F192-A196 HydrophobicContact CE2-CB 4.46Å; F192-A196 HydrophobicContact CZ-CB 4.39Å; F192-A196 VanDerWaalsContact O-CB 3.31Å; F192-A196 WeakPolarHBondContact O-CB 3.48Å; F192-A196 PolarHBondContact O-N 2.86Å; A196-S198 VanDerWaalsContact C-N 3.27Å; A196-S198 PolarHBondContact O-N 3.18Å; A196-K199 PolarHBondContact O-N 2.87Å; A196-T200 PolarHBondContact O-N 2.9Å; A196-T200 PolarHBondContact O-OG1 2.68Å; A196-V204 HydrophobicContact CB-CG2 3.96Å
197	A	96.4	Very high	95.6	Very high	43 Å²	43	48.8 Å²	48.8	36%	0.355	27%	0.269	S	S	.	.	H	α-helix	trans	-58.2	-39.3	176.2	0	0	0	0	0	112.5	A193 A194 E201 V202	A193-A197 WeakPolarHBondContact O-CB 3.39Å; A193-A197 PolarHBondContact O-N 3.48Å; A194-A197 PolarHBondContact O-N 3.29Å; A197-E201 WeakPolarHBondContact O-CA 3.35Å; A197-E201 PolarHBondContact O-N 2.8Å; A197-V202 WeakPolarHBondContact CA-O 3.36Å
198	S	96.4	Very high	95.2	Very high	98 Å²	98	50 Å²	50	69%	0.685	27%	0.274	S	S	*	.	H	α-helix	trans	-65.9	-42.1	177.3	-176.8	0	0	0	0	113	A194 E195 A196	A194-S198 WeakPolarHBondContact O-CB 3.41Å; A194-S198 PolarHBondContact O-N 3.14Å; E195-S198 PolarHBondContact O-N 3.45Å; A196-S198 VanDerWaalsContact C-N 3.27Å; A196-S198 PolarHBondContact O-N 3.18Å
199	K	94	Very high	95	Very high	74 Å²	74	57.2 Å²	57.2	32%	0.322	31%	0.306	S	S	.	.	H	α-helix	trans	-87.4	-29.6	-175.3	-72.9	-162.5	171.1	-161.6	0	114.5	E145 A146 E195 A196	E145-K199 HydrophobicContact CB-CD 4.45Å; E145-K199 IonicContact OE2-NZ 2.98Å; E145-K199 PolarHBondContact OE2-NZ 2.83Å; A146-K199 HydrophobicContact CB-CD 4.05Å; E195-K199 PolarHBondContact O-N 2.77Å; A196-K199 PolarHBondContact O-N 2.87Å
200	T	92.8	Very high	94.8	Very high	4 Å²	4	61.3 Å²	61.3	3%	0.025	32%	0.324	C	S	.	.	H	α-helix	trans	-129.5	-6	-169.7	68.7	0	0	0	0	113.9	K139 A142 L143 A196 V202	K139-T200 HydrophobicContact CB-CG2 4.19Å; K139-T200 WeakPolarHBondContact CD-O 3.2Å; K139-T200 PolarHBondContact NZ-O 3.33Å; A142-T200 HydrophobicContact CB-CG2 3.69Å; L143-T200 HydrophobicContact CB-CG2 4.28Å; A196-T200 PolarHBondContact O-N 2.9Å; A196-T200 PolarHBondContact O-OG1 2.68Å; T200-V202 PolarHBondContact O-N 2.9Å; T200-V202 VanDerWaalsContact O-N 3.16Å; T200-V202 VanDerWaalsContact OG1-CB 3.26Å; T200-V202 WeakPolarHBondContact OG1-CB 3.31Å; T200-V202 WeakPolarHBondContact OG1-CG2 3.45Å; T200-V202 PolarHBondContact OG1-N 2.81Å
201	E	92.8	Very high	94.8	Very high	163 Å²	163	59.4 Å²	59.4	76%	0.762	31%	0.308	S	S	*	.			trans	61.4	13.9	-172.3	-49.6	167	151.7	0	0	113.2	K139 A197	K139-E201 IonicContact NZ-OE2 3.31Å; K139-E201 PolarHBondContact NZ-OE2 3.47Å; K139-E201 VanDerWaalsContact NZ-OE2 3.13Å; A197-E201 WeakPolarHBondContact O-CA 3.35Å; A197-E201 PolarHBondContact O-N 2.8Å
202	V	93.3	Very high	94.8	Very high	13 Å²	13	58.8 Å²	58.8	8%	0.079	30%	0.304	C	S	.	.			trans	-79.5	131.4	178.5	171.3	0	0	0	0	110	F133 M134 C135 A197 T200 V204	F133-V202 HydrophobicContact CD2-CG1 3.47Å; F133-V202 VanDerWaalsContact CD2-CG1 3.47Å; F133-V202 HydrophobicContact CE2-CG1 3.99Å; F133-V202 HydrophobicContact CG-CG1 4.33Å; M134-V202 VanDerWaalsContact O-CG1 3.31Å; M134-V202 WeakPolarHBondContact O-CG1 3.43Å; C135-V202 HydrophobicContact CB-CG2 4.09Å; A197-V202 WeakPolarHBondContact CA-O 3.36Å; T200-V202 PolarHBondContact O-N 2.9Å; T200-V202 VanDerWaalsContact O-N 3.16Å; T200-V202 VanDerWaalsContact OG1-CB 3.26Å; T200-V202 WeakPolarHBondContact OG1-CB 3.31Å; T200-V202 WeakPolarHBondContact OG1-CG2 3.45Å; T200-V202 PolarHBondContact OG1-N 2.81Å; V202-V204 HydrophobicContact CG1-CG2 4.06Å; V202-V204 PolarHBondContact O-N 3.46Å
203	H	94.5	Very high	94.7	Very high	155 Å²	155	58.8 Å²	58.8	72%	0.718	30%	0.304	S	S	*	.			trans	-84.8	110.7	172.5	-171.4	55.7	0	0	0	110.4
204	V	96.2	Very high	94.7	Very high	5 Å²	5	59.8 Å²	59.8	3%	0.03	31%	0.309	C	S	.	.			trans	-104.1	125.8	172.6	-178.9	0	0	0	0	108.3	C130 F133 F192 A193 A196 V202 P206	C130-V204 HydrophobicContact CB-CG1 3.66Å; F133-V204 HydrophobicContact CD1-CB 4.37Å; F133-V204 HydrophobicContact CD1-CG1 3.9Å; F133-V204 HydrophobicContact CD1-CG2 3.95Å; F133-V204 HydrophobicContact CD2-CG2 3.93Å; F133-V204 HydrophobicContact CE1-CG1 4.05Å; F133-V204 HydrophobicContact CE1-CG2 4.02Å; F133-V204 HydrophobicContact CE2-CG2 3.97Å; F133-V204 HydrophobicContact CG-CG2 3.9Å; F133-V204 HydrophobicContact CZ-CG2 4.02Å; F192-V204 HydrophobicContact CD1-CG1 4.29Å; F192-V204 HydrophobicContact CE1-CG1 4.17Å; F192-V204 HydrophobicContact CE1-CG2 4.28Å; A193-V204 HydrophobicContact CB-CB 3.76Å; A193-V204 HydrophobicContact CB-CG1 4.08Å; A193-V204 WeakPolarHBondContact CB-O 3.31Å; A196-V204 HydrophobicContact CB-CG2 3.96Å; V202-V204 HydrophobicContact CG1-CG2 4.06Å; V202-V204 PolarHBondContact O-N 3.46Å; V204-P206 WeakPolarHBondContact O-CD 3.5Å
205	E	96.3	Very high	94.7	Very high	57 Å²	57	57 Å²	57	27%	0.266	29%	0.285	S	S	.	.			trans	-97.3	112.3	174	-167.2	-177.7	169.6	0	0	110.5	C130 Q131 K208	C130-E205 WeakPolarHBondContact CA-O 3.19Å; C130-E205 WeakPolarHBondContact CB-O 3.17Å; Q131-E205 PolarHBondContact N-O 2.9Å; Q131-E205 PolarHBondContact NE2-OE1 3.2Å; Q131-E205 PolarHBondContact NE2-OE2 3.02Å; E205-K208 WeakPolarHBondContact OE1-CE 3.29Å; E205-K208 IonicContact OE1-NZ 3.76Å; E205-K208 PolarHBondContact OE1-NZ 2.89Å
206	P	94.8	Very high	94.6	Very high	34 Å²	34	55.5 Å²	55.5	22%	0.221	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-60.4	148.2	175.1	-23.7	34.9	0	0	0	112.3	A189 A190 A193 V204 K208	A189-P206 HydrophobicContact CB-CB 4.1Å; A190-P206 HydrophobicContact CB-CG 4.19Å; A193-P206 HydrophobicContact CB-CG 4.02Å; V204-P206 WeakPolarHBondContact O-CD 3.5Å; P206-K208 PolarHBondContact O-N 3.37Å
207	H	91.1	Very high	94.6	Very high	39 Å²	39	59.1 Å²	59.1	18%	0.181	29%	0.292	C	S	.	.			trans	-72.4	125	-178.7	-162.3	32.8	0	0	0	111.2	L129 L211	L129-H207 PolarHBondContact O-N 3.38Å; H207-L211 HydrophobicContact CB-CD2 4.36Å
208	K	88.3	Confident	94.4	Very high	157 Å²	157	62.1 Å²	62.1	68%	0.683	30%	0.299	S	S	*	.			trans	-91.5	-19.6	-174.9	-66.2	171.2	178.6	157.4	0	114.1	E205 P206	E205-K208 WeakPolarHBondContact OE1-CE 3.29Å; E205-K208 IonicContact OE1-NZ 3.76Å; E205-K208 PolarHBondContact OE1-NZ 2.89Å; P206-K208 PolarHBondContact O-N 3.37Å
209	K	90.4	Very high	94.2	Very high	152 Å²	152	58.4 Å²	58.4	66%	0.661	27%	0.27	S	S	*	.	S	Bend	trans	-77.9	168.7	-178.8	-63.8	-174.9	179.2	179.1	0	110.8	L211	K209-L211 PolarHBondContact O-N 3.42Å
210	Q	92.8	Very high	93.9	Very high	88 Å²	88	60.7 Å²	60.7	41%	0.411	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-60.9	126.9	174.6	-159.3	-177.1	4	0	0	110	F176 H212	F176-Q210 HydrophobicContact CD1-CB 3.97Å; F176-Q210 HydrophobicContact CD1-CG 3.63Å; F176-Q210 VanDerWaalsContact CD1-OE1 3.26Å; F176-Q210 HydrophobicContact CE1-CB 4.02Å; F176-Q210 HydrophobicContact CE1-CG 4.18Å; Q210-H212 PolarHBondContact O-ND1 2.93Å
211	L	96.8	Very high	93.8	Very high	3 Å²	3	64.3 Å²	64.3	2%	0.016	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-74	135.5	-176.8	-62.7	-178.8	0	0	0	110.2	I127 T128 L129 V177 A182 L185 K186 H207 K209	I127-L211 HydrophobicContact CG2-CB 3.86Å; I127-L211 HydrophobicContact CG2-CD1 4.43Å; I127-L211 HydrophobicContact CG2-CD2 4.17Å; I127-L211 HydrophobicContact CG2-CG 4.38Å; T128-L211 WeakPolarHBondContact O-CD2 3.41Å; L129-L211 HydrophobicContact CD2-CD1 4.39Å; V177-L211 HydrophobicContact CB-CB 4.31Å; V177-L211 HydrophobicContact CG2-CB 4.04Å; V177-L211 PolarHBondContact N-O 3.49Å; A182-L211 HydrophobicContact CB-CD1 4.47Å; L185-L211 HydrophobicContact CB-CD1 3.46Å; L185-L211 VanDerWaalsContact CB-CD1 3.46Å; L185-L211 HydrophobicContact CD1-CD1 3.9Å; L185-L211 HydrophobicContact CG-CD1 4.33Å; K186-L211 HydrophobicContact CG-CD1 4.22Å; H207-L211 HydrophobicContact CB-CD2 4.36Å; K209-L211 PolarHBondContact O-N 3.42Å
212	H	96.8	Very high	93.7	Very high	44 Å²	44	60.6 Å²	60.6	20%	0.204	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	159.5	-176.2	57.4	-83.8	0	0	0	111.8	F172 L175 F176 Q210 T214	F172-H212 AromaticContact CZ-CD2 3.71Å; F172-H212 AromaticContact CZ-NE2 3.88Å; L175-H212 CarbonylContact O-C 3.56Å; L175-H212 WeakPolarHBondContact O-CA 3.37Å; L175-H212 WeakPolarHBondContact O-CB 3.23Å; F176-H212 HydrophobicContact CD1-CB 3.71Å; F176-H212 HydrophobicContact CD2-CB 4.33Å; F176-H212 HydrophobicContact CE1-CB 3.89Å; F176-H212 AromaticContact CE1-ND1 3.89Å; F176-H212 HydrophobicContact CE2-CB 4.47Å; F176-H212 HydrophobicContact CG-CB 3.98Å; F176-H212 HydrophobicContact CZ-CB 4.28Å; Q210-H212 PolarHBondContact O-ND1 2.93Å; H212-T214 PolarHBondContact CD2-OG1 3.11Å; H212-T214 VanDerWaalsContact CD2-OG1 3.25Å; H212-T214 PolarHBondContact NE2-OG1 2.69Å
213	V	96.9	Very high	93.7	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	118.8	160.7	-177.6	0	0	0	0	108.1	L104 P125 H126 I127 G174 L175 L215 W242	L104-V213 HydrophobicContact CD2-CG1 4.37Å; P125-V213 HydrophobicContact CB-CG1 4.02Å; H126-V213 WeakPolarHBondContact O-CA 3.46Å; I127-V213 HydrophobicContact CD1-CG2 4.28Å; I127-V213 HydrophobicContact CG1-CG2 3.64Å; G174-V213 CarbonylContact C-O 3.5Å; G174-V213 WeakPolarHBondContact CA-O 3.36Å; L175-V213 HydrophobicContact CB-CB 4.26Å; L175-V213 PolarHBondContact N-O 2.89Å; L175-V213 PolarHBondContact O-N 3.2Å; V213-L215 HydrophobicContact CG1-CD2 4.32Å; V213-W242 HydrophobicContact CG2-CH2 4.03Å
214	T	96.9	Very high	93.8	Very high	33 Å²	33	56.3 Å²	56.3	20%	0.202	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	123.9	174.8	-59.4	0	0	0	0	109.7	A120 F172 H212 Y217	A120-T214 HydrophobicContact CB-CG2 4.03Å; F172-T214 HydrophobicContact CE2-CG2 3.94Å; H212-T214 PolarHBondContact CD2-OG1 3.11Å; H212-T214 VanDerWaalsContact CD2-OG1 3.25Å; H212-T214 PolarHBondContact NE2-OG1 2.69Å; T214-Y217 HydrophobicContact CG2-CD1 3.59Å; T214-Y217 HydrophobicContact CG2-CE1 4.04Å; T214-Y217 HydrophobicContact CG2-CG 4.38Å
215	L	97	Very high	93.7	Very high	3 Å²	3	60.1 Å²	60.1	2%	0.016	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	-48.1	177.7	-64.9	-177.9	0	0	0	111.4	L104 F107 A120 L166 I173 L175 V213 A231 I234	L104-L215 HydrophobicContact CD2-CD2 3.58Å; F107-L215 HydrophobicContact CD1-CB 4.35Å; F107-L215 HydrophobicContact CD1-CD2 4.15Å; F107-L215 HydrophobicContact CE1-CB 3.64Å; F107-L215 HydrophobicContact CE1-CD2 4.29Å; F107-L215 HydrophobicContact CE1-CG 4.42Å; F107-L215 WeakPolarHBondContact CE1-O 3.44Å; F107-L215 HydrophobicContact CZ-CB 3.89Å; A120-L215 WeakPolarHBondContact CB-O 3.35Å; L166-L215 HydrophobicContact CD1-CD1 4.25Å; I173-L215 HydrophobicContact CB-CB 4.48Å; I173-L215 HydrophobicContact CG2-CB 4.12Å; I173-L215 HydrophobicContact CG2-CD1 4.11Å; I173-L215 WeakPolarHBondContact O-CB 3.3Å; I173-L215 PolarHBondContact O-N 2.7Å; L175-L215 HydrophobicContact CD1-CD1 4.32Å; L175-L215 HydrophobicContact CD1-CD2 4.4Å; L175-L215 HydrophobicContact CD2-CD1 4.12Å; L175-L215 HydrophobicContact CG-CD1 3.84Å; L175-L215 HydrophobicContact CG-CG 4.25Å; V213-L215 HydrophobicContact CG1-CD2 4.32Å; L215-A231 HydrophobicContact CD1-CB 4.01Å; L215-I234 HydrophobicContact CD1-CD1 3.61Å; L215-I234 HydrophobicContact CD2-CD1 4.02Å; L215-I234 HydrophobicContact CG-CD1 4.49Å
216	A	96.6	Very high	93.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	139.4	178.7	0	0	0	0	0	110.8	F172 I173 F219 L227	F172-A216 CarbonylContact C-O 3.44Å; F172-A216 WeakPolarHBondContact CA-O 3.29Å; I173-A216 HydrophobicContact CB-CB 4.31Å; I173-A216 HydrophobicContact CD1-CB 4.41Å; I173-A216 PolarHBondContact N-O 2.95Å; I173-A216 PolarHBondContact O-N 3.5Å; I173-A216 VanDerWaalsContact O-N 3.07Å; A216-F219 HydrophobicContact CB-CD1 3.7Å; A216-F219 HydrophobicContact CB-CE1 3.76Å; A216-F219 WeakPolarHBondContact O-CE1 3.26Å; A216-L227 HydrophobicContact CB-CD1 4.18Å
217	Y	96.1	Very high	93.8	Very high	76 Å²	76	58.6 Å²	58.6	30%	0.298	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	158.9	170.4	75.6	-64.8	0	0	0	110.9	K119 A120 N171 F172 T214 F219	K119-Y217 HydrophobicContact CB-CD1 3.98Å; K119-Y217 HydrophobicContact CB-CD2 4.33Å; K119-Y217 HydrophobicContact CB-CE1 3.47Å; K119-Y217 VanDerWaalsContact CB-CE1 3.47Å; K119-Y217 HydrophobicContact CB-CE2 3.86Å; K119-Y217 HydrophobicContact CB-CG 4.36Å; K119-Y217 HydrophobicContact CD-CE2 4.06Å; K119-Y217 PolarHBondContact N-O 2.87Å; K119-Y217 VanDerWaalsContact N-O 3.16Å; A120-Y217 HydrophobicContact CB-CD1 3.97Å; A120-Y217 HydrophobicContact CB-CE1 4.22Å; A120-Y217 VanDerWaalsContact N-CE1 3.25Å; N171-Y217 WeakPolarHBondContact O-CA 3.46Å; F172-Y217 HydrophobicContact CD2-CG 4.5Å; T214-Y217 HydrophobicContact CG2-CD1 3.59Å; T214-Y217 HydrophobicContact CG2-CE1 4.04Å; T214-Y217 HydrophobicContact CG2-CG 4.38Å; Y217-F219 VanDerWaalsContact C-N 3.34Å; Y217-F219 PolarHBondContact O-N 3.12Å
218	H	92	Very high	94.1	Very high	107 Å²	107	59.6 Å²	59.6	50%	0.495	31%	0.308	S	S	.	.	S	Bend	trans	52	50.6	-170.1	-69	-84.1	0	0	0	112.5	K119 N171	K119-H218 HydrophobicContact CB-CB 4.2Å; K119-H218 HydrophobicContact CD-CB 4.33Å; K119-H218 HydrophobicContact CG-CB 3.92Å; N171-H218 PolarHBondContact O-N 2.87Å; N171-H218 WeakPolarHBondContact OD1-CA 3.31Å; N171-H218 PolarHBondContact OD1-N 3.15Å; N171-H218 VanDerWaalsContact OD1-N 3.1Å
219	F	91.9	Very high	94.4	Very high	20 Å²	20	59 Å²	59	9%	0.088	31%	0.305	C	S	.	.			trans	-105.7	162.6	172.7	49.4	-99.4	0	0	0	110.3	N118 I173 A216 Y217 L224 L227	N118-F219 HydrophobicContact CB-CB 3.95Å; I173-F219 HydrophobicContact CD1-CE1 4.25Å; I173-F219 HydrophobicContact CD1-CZ 4.07Å; I173-F219 HydrophobicContact CG1-CE1 4.23Å; I173-F219 HydrophobicContact CG1-CZ 4.11Å; A216-F219 HydrophobicContact CB-CD1 3.7Å; A216-F219 HydrophobicContact CB-CE1 3.76Å; A216-F219 WeakPolarHBondContact O-CE1 3.26Å; Y217-F219 VanDerWaalsContact C-N 3.34Å; Y217-F219 PolarHBondContact O-N 3.12Å; F219-L224 HydrophobicContact CE2-CB 4.1Å; F219-L224 HydrophobicContact CE2-CD1 3.82Å; F219-L224 HydrophobicContact CZ-CD1 3.9Å; F219-L227 HydrophobicContact CB-CD1 3.92Å; F219-L227 HydrophobicContact CD1-CD1 3.74Å; F219-L227 HydrophobicContact CD2-CD1 3.71Å; F219-L227 HydrophobicContact CE1-CD1 4.15Å; F219-L227 HydrophobicContact CE2-CD1 4.14Å; F219-L227 HydrophobicContact CG-CD1 3.5Å; F219-L227 VanDerWaalsContact CG-CD1 3.5Å; F219-L227 HydrophobicContact CZ-CD1 4.34Å
220	Q	88	Confident	94.7	Very high	122 Å²	122	52.7 Å²	52.7	57%	0.57	28%	0.279	S	S	*	.			trans	-67	138.7	174.9	-64.3	-177.1	-12	0	0	110.4	S222 H223	Q220-S222 PolarHBondContact O-N 2.94Å; Q220-S222 VanDerWaalsContact O-N 3.12Å; Q220-H223 WeakPolarHBondContact O-CB 3.48Å; Q220-H223 PolarHBondContact O-N 3.21Å; Q220-H223 PolarHBondContact OE1-CE1 3.38Å; Q220-H223 PolarHBondContact OE1-NE2 3Å
221	A	89.9	Confident	94.9	Very high	79 Å²	79	48.6 Å²	48.6	65%	0.653	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-58.6	-29.2	-176.4	0	0	0	0	0	113.4	H223 L224	A221-H223 PolarHBondContact O-N 3.28Å; A221-L224 WeakPolarHBondContact O-CB 3.24Å; A221-L224 PolarHBondContact O-N 2.89Å
222	S	92	Very high	94.9	Very high	85 Å²	85	54.9 Å²	54.9	59%	0.594	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-61.4	-25.7	173.2	49.4	0	0	0	0	113.6	Q220	Q220-S222 PolarHBondContact O-N 2.94Å; Q220-S222 VanDerWaalsContact O-N 3.12Å
223	H	93.3	Very high	94.7	Very high	45 Å²	45	58 Å²	58	21%	0.208	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-84.1	-12.7	-178.1	-59.4	168.3	0	0	0	113	C115 Q220 A221 T226 L227	C115-H223 HydrophobicContact CB-CB 4.02Å; C115-H223 PolarHBondContact O-CE1 3.29Å; C115-H223 PolarHBondContact O-ND1 2.93Å; C115-H223 VanDerWaalsContact O-ND1 3.1Å; Q220-H223 WeakPolarHBondContact O-CB 3.48Å; Q220-H223 PolarHBondContact O-N 3.21Å; Q220-H223 PolarHBondContact OE1-CE1 3.38Å; Q220-H223 PolarHBondContact OE1-NE2 3Å; A221-H223 PolarHBondContact O-N 3.28Å; H223-T226 PolarHBondContact O-N 3.13Å; H223-L227 HydrophobicContact CB-CD1 4.01Å; H223-L227 HydrophobicContact CB-CG 4.4Å; H223-L227 WeakPolarHBondContact O-CG 3.09Å; H223-L227 PolarHBondContact O-N 3.02Å
224	L	94.9	Very high	94.6	Very high	34 Å²	34	58.7 Å²	58.7	18%	0.178	31%	0.311	C	S	.	.	H	α-helix	trans	-54.4	-49	-174.7	179.1	65.4	0	0	0	113.4	T168 I173 F219 A221 T226 L227 E228	T168-L224 HydrophobicContact CG2-CD1 3.73Å; I173-L224 HydrophobicContact CD1-CD1 4.18Å; F219-L224 HydrophobicContact CE2-CB 4.1Å; F219-L224 HydrophobicContact CE2-CD1 3.82Å; F219-L224 HydrophobicContact CZ-CD1 3.9Å; A221-L224 WeakPolarHBondContact O-CB 3.24Å; A221-L224 PolarHBondContact O-N 2.89Å; L224-T226 VanDerWaalsContact C-N 3.29Å; L224-T226 PolarHBondContact O-N 3.36Å; L224-L227 PolarHBondContact O-N 3.01Å; L224-E228 HydrophobicContact CD1-CG 4.04Å; L224-E228 HydrophobicContact CG-CG 4.38Å; L224-E228 WeakPolarHBondContact O-CB 3.18Å; L224-E228 WeakPolarHBondContact O-CG 3.46Å; L224-E228 PolarHBondContact O-N 2.61Å
225	P	95.9	Very high	94.4	Very high	84 Å²	84	60.5 Å²	60.5	55%	0.545	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-36.5	-178	-21.6	34.2	0	0	0	112.9	K229	P225-K229 WeakPolarHBondContact O-CB 3.32Å; P225-K229 PolarHBondContact O-N 3.17Å; P225-K229 VanDerWaalsContact O-N 3.16Å
226	T	95.9	Very high	94	Very high	59 Å²	59	62 Å²	62	36%	0.362	33%	0.329	S	S	.	.	H	α-helix	trans	-68.2	-46.9	177.3	-56.4	0	0	0	0	111	I114 H223 L224 K229 L230	I114-T226 HydrophobicContact CG2-CG2 3.77Å; H223-T226 PolarHBondContact O-N 3.13Å; L224-T226 VanDerWaalsContact C-N 3.29Å; L224-T226 PolarHBondContact O-N 3.36Å; T226-K229 PolarHBondContact O-N 3.06Å; T226-L230 HydrophobicContact CG2-CD1 4.39Å; T226-L230 WeakPolarHBondContact O-CG 3.44Å; T226-L230 PolarHBondContact O-N 3.25Å
227	L	96.4	Very high	93.6	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-65.9	-38.4	179.9	-66.8	169.8	0	0	0	112	C115 I173 A216 F219 H223 L224 L230 A231	C115-L227 HydrophobicContact CB-CD2 4.21Å; I173-L227 HydrophobicContact CD1-CB 3.45Å; I173-L227 VanDerWaalsContact CD1-CB 3.45Å; I173-L227 HydrophobicContact CD1-CD1 4.49Å; A216-L227 HydrophobicContact CB-CD1 4.18Å; F219-L227 HydrophobicContact CB-CD1 3.92Å; F219-L227 HydrophobicContact CD1-CD1 3.74Å; F219-L227 HydrophobicContact CD2-CD1 3.71Å; F219-L227 HydrophobicContact CE1-CD1 4.15Å; F219-L227 HydrophobicContact CE2-CD1 4.14Å; F219-L227 HydrophobicContact CG-CD1 3.5Å; F219-L227 VanDerWaalsContact CG-CD1 3.5Å; F219-L227 HydrophobicContact CZ-CD1 4.34Å; H223-L227 HydrophobicContact CB-CD1 4.01Å; H223-L227 HydrophobicContact CB-CG 4.4Å; H223-L227 WeakPolarHBondContact O-CG 3.09Å; H223-L227 PolarHBondContact O-N 3.02Å; L224-L227 PolarHBondContact O-N 3.01Å; L227-L230 PolarHBondContact O-N 3.29Å; L227-A231 WeakPolarHBondContact O-CB 3.29Å; L227-A231 PolarHBondContact O-N 2.87Å
228	E	96.3	Very high	92.8	Very high	60 Å²	60	69.4 Å²	69.4	28%	0.28	37%	0.365	S	S	.	.	H	α-helix	trans	-58.3	-49.5	173	-84.1	175.8	167.7	0	0	111.9	T168 I173 L224 L230 A231 Q232	T168-E228 HydrophobicContact CG2-CG 3.52Å; T168-E228 WeakPolarHBondContact CG2-OE1 3.46Å; I173-E228 HydrophobicContact CD1-CG 4.5Å; L224-E228 HydrophobicContact CD1-CG 4.04Å; L224-E228 HydrophobicContact CG-CG 4.38Å; L224-E228 WeakPolarHBondContact O-CB 3.18Å; L224-E228 WeakPolarHBondContact O-CG 3.46Å; L224-E228 PolarHBondContact O-N 2.61Å; E228-L230 VanDerWaalsContact C-N 3.32Å; E228-L230 PolarHBondContact O-N 2.92Å; E228-A231 PolarHBondContact O-N 3.45Å; E228-Q232 VanDerWaalsContact O-CG 3.29Å; E228-Q232 WeakPolarHBondContact O-CG 3.43Å; E228-Q232 PolarHBondContact O-N 2.88Å
229	K	96.4	Very high	91.9	Very high	145 Å²	145	66.2 Å²	66.2	63%	0.63	36%	0.361	S	S	*	.	H	α-helix	trans	-61	-41.9	178.8	-174.6	-180	-180	-178	0	111.7	P225 T226 N233	P225-K229 WeakPolarHBondContact O-CB 3.32Å; P225-K229 PolarHBondContact O-N 3.17Å; P225-K229 VanDerWaalsContact O-N 3.16Å; T226-K229 PolarHBondContact O-N 3.06Å; K229-N233 PolarHBondContact O-N 2.99Å; K229-N233 PolarHBondContact O-ND2 2.77Å
230	L	96.6	Very high	91.6	Very high	20 Å²	20	66.1 Å²	66.1	11%	0.105	36%	0.362	C	S	.	.	H	α-helix	trans	-64	-43.2	175.7	-70.3	175	0	0	0	111.5	F107 Q110 I114 T226 L227 E228 Q232 N233	F107-L230 HydrophobicContact CD2-CB 3.67Å; F107-L230 HydrophobicContact CE2-CB 3.64Å; Q110-L230 HydrophobicContact CB-CD1 4.42Å; Q110-L230 HydrophobicContact CB-CD2 4.37Å; I114-L230 HydrophobicContact CD1-CD1 4.36Å; T226-L230 HydrophobicContact CG2-CD1 4.39Å; T226-L230 WeakPolarHBondContact O-CG 3.44Å; T226-L230 PolarHBondContact O-N 3.25Å; L227-L230 PolarHBondContact O-N 3.29Å; E228-L230 VanDerWaalsContact C-N 3.32Å; E228-L230 PolarHBondContact O-N 2.92Å; L230-Q232 PolarHBondContact O-N 3.24Å; L230-N233 WeakPolarHBondContact O-CB 3.38Å; L230-N233 PolarHBondContact O-N 3.07Å
231	A	96.6	Very high	91.5	Very high	2 Å²	2	61.8 Å²	61.8	2%	0.017	34%	0.343	C	S	.	.	H	α-helix	trans	-67.1	-36.3	-179	0	0	0	0	0	112.3	F107 L166 I173 L215 L227 E228 N233 I234	F107-A231 HydrophobicContact CD2-CB 4.44Å; F107-A231 HydrophobicContact CE2-CB 3.85Å; L166-A231 HydrophobicContact CD1-CB 3.88Å; L166-A231 HydrophobicContact CD2-CB 4.27Å; I173-A231 HydrophobicContact CG2-CB 3.8Å; L215-A231 HydrophobicContact CD1-CB 4.01Å; L227-A231 WeakPolarHBondContact O-CB 3.29Å; L227-A231 PolarHBondContact O-N 2.87Å; E228-A231 PolarHBondContact O-N 3.45Å; A231-N233 PolarHBondContact O-N 2.86Å; A231-I234 WeakPolarHBondContact O-CB 3.41Å; A231-I234 WeakPolarHBondContact O-CG1 3.47Å; A231-I234 PolarHBondContact O-N 3.45Å; A231-I234 VanDerWaalsContact O-N 3.13Å
232	Q	95.6	Very high	91.6	Very high	134 Å²	134	58.4 Å²	58.4	63%	0.626	31%	0.314	S	S	*	.	H	α-helix	trans	-63.2	-23.5	174.7	-73.6	171.1	3.7	0	0	113.3	L166 E228 L230 I234	L166-Q232 HydrophobicContact CD2-CG 3.92Å; E228-Q232 VanDerWaalsContact O-CG 3.29Å; E228-Q232 WeakPolarHBondContact O-CG 3.43Å; E228-Q232 PolarHBondContact O-N 2.88Å; L230-Q232 PolarHBondContact O-N 3.24Å; Q232-I234 VanDerWaalsContact C-N 3.27Å; Q232-I234 PolarHBondContact O-N 2.7Å
233	N	94.2	Very high	91.6	Very high	111 Å²	111	55.1 Å²	55.1	59%	0.594	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-4.8	177.2	-66.6	-30	0	0	0	113.5	K229 L230 A231 D235	K229-N233 PolarHBondContact O-N 2.99Å; K229-N233 PolarHBondContact O-ND2 2.77Å; L230-N233 WeakPolarHBondContact O-CB 3.38Å; L230-N233 PolarHBondContact O-N 3.07Å; A231-N233 PolarHBondContact O-N 2.86Å; N233-D235 PolarHBondContact O-N 2.99Å
234	I	94.6	Very high	91.8	Very high	13 Å²	13	53 Å²	53	7%	0.067	28%	0.28	C	S	.	.			trans	-78.3	106.9	175.9	-57.2	168.5	0	0	0	108.2	L100 K103 L104 F107 L175 L215 A231 Q232 V236	L100-I234 HydrophobicContact CD1-CG2 4.13Å; K103-I234 HydrophobicContact CB-CG2 4.24Å; L104-I234 HydrophobicContact CD2-CD1 4.26Å; L104-I234 HydrophobicContact CD2-CG2 4.28Å; F107-I234 HydrophobicContact CB-CD1 3.85Å; F107-I234 HydrophobicContact CB-CG1 4.12Å; F107-I234 HydrophobicContact CD1-CD1 4.47Å; F107-I234 HydrophobicContact CD2-CD1 3.83Å; F107-I234 HydrophobicContact CD2-CG1 4.38Å; F107-I234 HydrophobicContact CG-CD1 3.77Å; F107-I234 HydrophobicContact CG-CG1 4.45Å; L175-I234 HydrophobicContact CD1-CG2 4.39Å; L215-I234 HydrophobicContact CD1-CD1 3.61Å; L215-I234 HydrophobicContact CD2-CD1 4.02Å; L215-I234 HydrophobicContact CG-CD1 4.49Å; A231-I234 WeakPolarHBondContact O-CB 3.41Å; A231-I234 WeakPolarHBondContact O-CG1 3.47Å; A231-I234 PolarHBondContact O-N 3.45Å; A231-I234 VanDerWaalsContact O-N 3.13Å; Q232-I234 VanDerWaalsContact C-N 3.27Å; Q232-I234 PolarHBondContact O-N 2.7Å; I234-V236 HydrophobicContact CG2-CG1 4.21Å; I234-V236 PolarHBondContact O-N 3.23Å
235	D	91.9	Very high	91.8	Very high	72 Å²	72	51.6 Å²	51.6	39%	0.385	27%	0.273	S	S	.	.			trans	-75.9	92.6	174	-174.5	4.6	0	0	0	110.9	N233 K237 L238	N233-D235 PolarHBondContact O-N 2.99Å; D235-K237 PolarHBondContact O-N 3.25Å; D235-K237 VanDerWaalsContact OD1-CB 3.31Å; D235-K237 WeakPolarHBondContact OD1-CB 3.16Å; D235-K237 PolarHBondContact OD1-N 3.06Å; D235-L238 HydrophobicContact CB-CD1 3.89Å; D235-L238 HydrophobicContact CB-CG 3.9Å; D235-L238 WeakPolarHBondContact O-CB 3.29Å; D235-L238 WeakPolarHBondContact O-CG 3.19Å; D235-L238 PolarHBondContact O-N 2.96Å
236	V	89.8	Confident	91.9	Very high	35 Å²	35	47.8 Å²	47.8	21%	0.212	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-10.8	177.7	-61.1	0	0	0	0	113.9	L164 L175 I234	L164-V236 HydrophobicContact CB-CB 4.14Å; L164-V236 HydrophobicContact CB-CG1 4.2Å; L164-V236 HydrophobicContact CD1-CB 4.49Å; L164-V236 HydrophobicContact CD1-CG1 4.38Å; L175-V236 HydrophobicContact CD1-CG1 3.87Å; L175-V236 HydrophobicContact CD2-CG1 3.95Å; I234-V236 HydrophobicContact CG2-CG1 4.21Å; I234-V236 PolarHBondContact O-N 3.23Å
237	K	86.8	Confident	91.9	Very high	176 Å²	176	45.6 Å²	45.6	77%	0.765	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-14.8	176	-58.5	177.7	-178.6	174.8	0	111.7	D235 G239	D235-K237 PolarHBondContact O-N 3.25Å; D235-K237 VanDerWaalsContact OD1-CB 3.31Å; D235-K237 WeakPolarHBondContact OD1-CB 3.16Å; D235-K237 PolarHBondContact OD1-N 3.06Å; K237-G239 PolarHBondContact O-N 3.44Å
238	L	80	Confident	91.9	Very high	54 Å²	54	45.6 Å²	45.6	28%	0.283	23%	0.234	S	C	.	.	S	Bend	trans	-60.7	106.6	166.7	-61.8	175.3	0	0	0	107.8	P99 K103 D235	P99-L238 HydrophobicContact CB-CB 4.25Å; P99-L238 HydrophobicContact CB-CD1 4.34Å; K103-L238 HydrophobicContact CG-CD1 3.77Å; D235-L238 HydrophobicContact CB-CD1 3.89Å; D235-L238 HydrophobicContact CB-CG 3.9Å; D235-L238 WeakPolarHBondContact O-CB 3.29Å; D235-L238 WeakPolarHBondContact O-CG 3.19Å; D235-L238 PolarHBondContact O-N 2.96Å
239	G	72.8	Confident	91.8	Very high	40 Å²	40	44.3 Å²	44.3	41%	0.412	23%	0.226	S	C	.	.			trans	-59.9	153.2	175.9	0	0	0	0	0	111.7	K237	K237-G239 PolarHBondContact O-N 3.44Å
240	C	85.7	Confident	91.6	Very high	18 Å²	18	38.7 Å²	38.7	12%	0.122	20%	0.203	C	C	.	.			trans	-144.1	158.5	172.4	57	0	0	0	0	111.2	T97 L100 W242	T97-C240 WeakPolarHBondContact O-CB 3.45Å; L100-C240 HydrophobicContact CB-CB 3.92Å; L100-C240 VanDerWaalsContact CD2-SG 3.57Å; C240-W242 VanDerWaalsContact SG-CE2 3.59Å; C240-W242 PolarHBondContact SG-NE1 2.93Å
241	D	87	Confident	91.3	Very high	31 Å²	31	40.5 Å²	40.5	17%	0.166	21%	0.212	C	C	.	.			trans	-77.9	133.8	160.1	-174.3	21.9	0	0	0	109.1	T97 S330 L332	T97-D241 PolarHBondContact N-O 3.5Å; T97-D241 WeakPolarHBondContact OG1-CB 3.46Å; T97-D241 PolarHBondContact OG1-O 3.38Å; D241-S330 VanDerWaalsContact CG-OG 3.23Å; D241-S330 PolarHBondContact OD1-OG 3.45Å; D241-S330 WeakPolarHBondContact OD2-CB 3.03Å; D241-S330 PolarHBondContact OD2-OG 2.87Å; D241-L332 HydrophobicContact CB-CD1 3.51Å; D241-L332 HydrophobicContact CB-CG 4.01Å; D241-L332 VanDerWaalsContact OD1-CG 3.22Å; D241-L332 WeakPolarHBondContact OD1-CG 3.35Å; D241-L332 PolarHBondContact OD1-N 3.26Å
242	W	90.4	Very high	91	Very high	9 Å²	9	42.8 Å²	42.8	3%	0.034	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	120	176	-75.7	95.9	0	0	0	108.5	L94 R95 P96 L100 I127 L162 L164 V213 C240 I331	L94-W242 HydrophobicContact CB-CE3 4.24Å; L94-W242 HydrophobicContact CD1-CB 4.11Å; L94-W242 HydrophobicContact CD2-CB 3.8Å; L94-W242 HydrophobicContact CD2-CD2 3.89Å; L94-W242 HydrophobicContact CD2-CE3 3.71Å; L94-W242 HydrophobicContact CD2-CG 3.97Å; L94-W242 HydrophobicContact CG-CB 3.83Å; L94-W242 HydrophobicContact CG-CD2 4.22Å; L94-W242 HydrophobicContact CG-CE3 3.71Å; L94-W242 HydrophobicContact CG-CG 4.32Å; R95-W242 WeakPolarHBondContact O-CA 3.33Å; P96-W242 HydrophobicContact CB-CE3 4.22Å; P96-W242 HydrophobicContact CB-CH2 4.04Å; P96-W242 HydrophobicContact CB-CZ2 4.39Å; P96-W242 HydrophobicContact CB-CZ3 3.94Å; P96-W242 HydrophobicContact CG-CH2 4.37Å; P96-W242 HydrophobicContact CG-CZ3 4.16Å; L100-W242 HydrophobicContact CD2-CZ2 4.23Å; I127-W242 HydrophobicContact CD1-CE3 4.26Å; I127-W242 HydrophobicContact CD1-CH2 3.61Å; I127-W242 HydrophobicContact CD1-CZ2 4.31Å; I127-W242 HydrophobicContact CD1-CZ3 3.58Å; I127-W242 HydrophobicContact CG1-CH2 4.17Å; I127-W242 HydrophobicContact CG1-CZ3 3.94Å; L162-W242 HydrophobicContact CB-CZ2 4.37Å; L162-W242 VanDerWaalsContact CB-NE1 3.31Å; L162-W242 HydrophobicContact CD2-CD2 4.25Å; L162-W242 HydrophobicContact CD2-CH2 4.37Å; L162-W242 HydrophobicContact CD2-CZ2 3.7Å; L164-W242 HydrophobicContact CD1-CZ2 4.16Å; V213-W242 HydrophobicContact CG2-CH2 4.03Å; C240-W242 VanDerWaalsContact SG-CE2 3.59Å; C240-W242 PolarHBondContact SG-NE1 2.93Å; W242-I331 WeakPolarHBondContact O-CB 3.33Å; W242-I331 WeakPolarHBondContact O-CD1 3.48Å; W242-I331 VanDerWaalsContact O-CG1 3.28Å; W242-I331 WeakPolarHBondContact O-CG1 3.5Å
243	V	93.6	Very high	90.8	Very high	16 Å²	16	37.3 Å²	37.3	10%	0.097	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	122	-172.3	-175.3	0	0	0	0	109.4	R95 T97 T245 Y329	R95-V243 PolarHBondContact N-O 2.72Å; R95-V243 PolarHBondContact O-N 3.01Å; T97-V243 HydrophobicContact CG2-CB 4.43Å; T97-V243 HydrophobicContact CG2-CG2 3.55Å; V243-T245 PolarHBondContact O-N 2.91Å; V243-T245 PolarHBondContact O-OG1 3.47Å; V243-Y329 WeakPolarHBondContact CG1-O 3.31Å
244	A	96.1	Very high	90.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	121.2	174.4	0	0	0	0	0	109.1	L92 Y93 L94 L147 V151 F188 S328 Y329 I331	L92-A244 HydrophobicContact CD1-CB 4.37Å; Y93-A244 WeakPolarHBondContact O-CA 3.44Å; L94-A244 HydrophobicContact CD1-CB 4.34Å; L147-A244 HydrophobicContact CD1-CB 4.13Å; V151-A244 HydrophobicContact CG2-CB 3.85Å; F188-A244 HydrophobicContact CE1-CB 4.22Å; F188-A244 HydrophobicContact CZ-CB 3.92Å; A244-S328 CarbonylContact O-C 3.6Å; A244-S328 VanDerWaalsContact O-CA 3.3Å; A244-S328 WeakPolarHBondContact O-CA 3.32Å; A244-Y329 PolarHBondContact N-O 3.15Å; A244-Y329 PolarHBondContact O-N 2.89Å; A244-I331 HydrophobicContact CB-CD1 4.34Å
245	T	96	Very high	89.9	Confident	4 Å²	4	39 Å²	39	3%	0.025	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	132.2	-169.4	-49.6	0	0	0	0	111.1	Y93 V243 F247 F325 G327	Y93-T245 PolarHBondContact N-O 3.37Å; Y93-T245 PolarHBondContact O-N 3.21Å; V243-T245 PolarHBondContact O-N 2.91Å; V243-T245 PolarHBondContact O-OG1 3.47Å; T245-F247 HydrophobicContact CG2-CD2 3.96Å; T245-F247 HydrophobicContact CG2-CE1 4.45Å; T245-F247 HydrophobicContact CG2-CE2 3.22Å; T245-F247 HydrophobicContact CG2-CZ 3.52Å; T245-F325 HydrophobicContact CG2-CD2 3.61Å; T245-F325 HydrophobicContact CG2-CE2 3.37Å; T245-G327 WeakPolarHBondContact CA-O 3.42Å; T245-G327 WeakPolarHBondContact CG2-O 3.5Å
246	I	96.7	Very high	89.8	Confident	5 Å²	5	37.8 Å²	37.8	3%	0.026	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	129.6	173.4	-71.5	165	0	0	0	109.9	Y90 V91 L92 L143 L147 F192 H326 G327	Y90-I246 HydrophobicContact CD1-CG2 3.74Å; V91-I246 WeakPolarHBondContact O-CA 3.48Å; L92-I246 HydrophobicContact CD1-CG1 3.82Å; L143-I246 HydrophobicContact CG-CD1 4.28Å; L147-I246 HydrophobicContact CB-CD1 3.89Å; L147-I246 HydrophobicContact CD2-CD1 3.52Å; L147-I246 HydrophobicContact CD2-CG1 3.72Å; L147-I246 HydrophobicContact CG-CD1 4.25Å; F192-I246 HydrophobicContact CE2-CD1 4.34Å; F192-I246 HydrophobicContact CZ-CD1 4.09Å; I246-H326 HydrophobicContact CB-CB 4.31Å; I246-H326 HydrophobicContact CG2-CB 3.99Å; I246-H326 PolarHBondContact O-N 3.48Å; I246-G327 PolarHBondContact N-O 2.76Å; I246-G327 VanDerWaalsContact N-O 3.11Å
247	F	96.9	Very high	89.9	Confident	12 Å²	12	39.7 Å²	39.7	5%	0.053	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	158.3	168.5	-67.1	-86	0	0	0	110.3	Y90 V91 Y93 F124 T245 W323 I324 F325	Y90-F247 CarbonylContact C-O 3.3Å; Y90-F247 VanDerWaalsContact CA-O 3.27Å; Y90-F247 WeakPolarHBondContact CA-O 3.48Å; V91-F247 HydrophobicContact CG1-CB 4.17Å; V91-F247 PolarHBondContact N-O 3.28Å; V91-F247 PolarHBondContact O-N 2.93Å; Y93-F247 HydrophobicContact CD2-CD2 4.05Å; Y93-F247 HydrophobicContact CD2-CE2 4.4Å; F124-F247 HydrophobicContact CE1-CE1 4.16Å; F124-F247 HydrophobicContact CE1-CE2 4.28Å; F124-F247 AromaticContact CE1-CZ 3.96Å; F124-F247 HydrophobicContact CE1-CZ 3.96Å; F124-F247 AromaticContact CE2-CE2 3.97Å; F124-F247 HydrophobicContact CE2-CE2 3.97Å; F124-F247 HydrophobicContact CE2-CZ 4.24Å; F124-F247 HydrophobicContact CZ-CD1 4.47Å; F124-F247 AromaticContact CZ-CD2 3.87Å; F124-F247 HydrophobicContact CZ-CD2 3.87Å; F124-F247 HydrophobicContact CZ-CE1 4.03Å; F124-F247 AromaticContact CZ-CE2 3.36Å; F124-F247 HydrophobicContact CZ-CE2 3.36Å; F124-F247 HydrophobicContact CZ-CG 4.4Å; F124-F247 AromaticContact CZ-CZ 3.46Å; F124-F247 HydrophobicContact CZ-CZ 3.46Å; F124-F247 VanDerWaalsContact CZ-CZ 3.46Å; T245-F247 HydrophobicContact CG2-CD2 3.96Å; T245-F247 HydrophobicContact CG2-CE1 4.45Å; T245-F247 HydrophobicContact CG2-CE2 3.22Å; T245-F247 HydrophobicContact CG2-CZ 3.52Å; F247-W323 HydrophobicContact CB-CE3 3.83Å; F247-W323 HydrophobicContact CB-CZ3 4.48Å; F247-W323 HydrophobicContact CD1-CB 4.38Å; F247-W323 HydrophobicContact CG-CE3 4.23Å; F247-I324 CarbonylContact C-O 3.57Å; F247-I324 VanDerWaalsContact CA-O 3.27Å; F247-I324 WeakPolarHBondContact CA-O 3.32Å; F247-F325 HydrophobicContact CD1-CB 4.28Å; F247-F325 HydrophobicContact CE1-CB 3.98Å; F247-F325 AromaticContact CE1-CD2 3.86Å; F247-F325 HydrophobicContact CE1-CD2 3.86Å; F247-F325 HydrophobicContact CE1-CG 4.44Å; F247-F325 AromaticContact CZ-CD2 3.95Å; F247-F325 HydrophobicContact CZ-CD2 3.95Å
248	S	96.1	Very high	90.3	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.007	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	155.8	168.1	76.9	0	0	0	0	111.9	R88 E89 W323 I324 H326	R88-S248 PolarHBondContact NE-OG 2.96Å; E89-S248 CarbonylContact O-C 3.55Å; E89-S248 WeakPolarHBondContact O-CA 3.36Å; E89-S248 WeakPolarHBondContact O-CB 3.41Å; S248-W323 WeakPolarHBondContact O-CA 3.04Å; S248-I324 PolarHBondContact N-O 3.08Å; S248-I324 PolarHBondContact O-N 3.2Å; S248-H326 WeakPolarHBondContact CB-NE2 3.42Å; S248-H326 PolarHBondContact OG-NE2 2.81Å
249	R	94.8	Very high	91	Very high	32 Å²	32	29.6 Å²	29.6	12%	0.121	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	160.1	169	63.1	-175.4	-179.6	166.6	8.2	110.4	E89 F132 I251 A254 E319 W323	E89-R249 HydrophobicContact CB-CG 4.27Å; E89-R249 PolarHBondContact N-O 3.42Å; E89-R249 PolarHBondContact O-N 2.83Å; E89-R249 IonicContact OE1-NH2 3.16Å; E89-R249 IonicContact OE2-CZ 3.52Å; E89-R249 IonicContact OE2-NE 3.35Å; E89-R249 PolarHBondContact OE2-NE 3.28Å; E89-R249 IonicContact OE2-NH2 3.62Å; E89-R249 PolarHBondContact OE2-NH2 2.73Å; F132-R249 HydrophobicContact CE1-CG 4.46Å; R249-I251 PolarHBondContact O-N 3.19Å; R249-A254 PolarHBondContact NH1-O 2.88Å; R249-E319 IonicContact CZ-OE1 3.85Å; R249-E319 IonicContact NH1-OE1 3.83Å; R249-E319 PolarHBondContact NH1-OE1 3.13Å; R249-W323 HydrophobicContact CB-CG 4.44Å
250	D	92.2	Very high	92.1	Very high	28 Å²	28	31.1 Å²	31.1	15%	0.15	16%	0.156	C	C	.	.			trans	-72.6	124.3	174	-171.6	-33.1	0	0	0	109	R252 F253 A254	D250-R252 PolarHBondContact O-N 3Å; D250-R252 VanDerWaalsContact OD1-CB 3.31Å; D250-R252 WeakPolarHBondContact OD1-CB 2.9Å; D250-R252 VanDerWaalsContact OD1-CG 3.32Å; D250-R252 WeakPolarHBondContact OD1-CG 2.88Å; D250-R252 PolarHBondContact OD1-N 2.9Å; D250-R252 IonicContact OD1-NE 3.15Å; D250-R252 PolarHBondContact OD1-NE 3.26Å; D250-R252 IonicContact OD2-CZ 2.7Å; D250-R252 IonicContact OD2-NE 2.72Å; D250-R252 PolarHBondContact OD2-NE 3.15Å; D250-R252 IonicContact OD2-NH2 3.75Å; D250-R252 PolarHBondContact OD2-NH2 3.42Å; D250-F253 HydrophobicContact CB-CD2 3.86Å; D250-F253 HydrophobicContact CB-CE2 4.34Å; D250-F253 PolarHBondContact O-N 3.11Å; D250-F253 VanDerWaalsContact O-N 3.17Å; D250-A254 PolarHBondContact O-N 3.29Å
251	I	90.7	Very high	92.5	Very high	57 Å²	57	30.3 Å²	30.3	29%	0.292	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	-63.7	-28.3	-175.6	-171.6	59	0	0	0	112.5	P87 E89 M134 R249 F253 A254	P87-I251 VanDerWaalsContact O-CG2 3.23Å; P87-I251 WeakPolarHBondContact O-CG2 3.47Å; E89-I251 HydrophobicContact CB-CD1 4.14Å; E89-I251 HydrophobicContact CG-CD1 4.41Å; M134-I251 HydrophobicContact CE-CB 3.86Å; M134-I251 HydrophobicContact CE-CD1 4.16Å; M134-I251 HydrophobicContact CE-CG1 3.87Å; M134-I251 HydrophobicContact CE-CG2 4.26Å; M134-I251 HydrophobicContact SD-CD1 3.94Å; M134-I251 HydrophobicContact SD-CG1 4.29Å; R249-I251 PolarHBondContact O-N 3.19Å; I251-F253 PolarHBondContact O-N 2.85Å; I251-A254 HydrophobicContact CD1-CB 4.31Å; I251-A254 PolarHBondContact O-N 3.11Å
252	R	89.1	Confident	92.8	Very high	50 Å²	50	32.1 Å²	32.1	19%	0.189	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-57.6	-33.4	177.9	-63	-179.7	-68	175.9	-2.6	111.3	D79 L86 D250 H256	D79-R252 IonicContact OD1-NH1 3.01Å; D79-R252 PolarHBondContact OD1-NH1 3.29Å; D79-R252 IonicContact OD2-CZ 3.64Å; D79-R252 IonicContact OD2-NH1 3.13Å; D79-R252 PolarHBondContact OD2-NH1 2.91Å; D79-R252 IonicContact OD2-NH2 3.81Å; D79-R252 PolarHBondContact OD2-NH2 3.01Å; D79-R252 VanDerWaalsContact OD2-NH2 3.11Å; L86-R252 HydrophobicContact CD1-CG 4Å; D250-R252 PolarHBondContact O-N 3Å; D250-R252 VanDerWaalsContact OD1-CB 3.31Å; D250-R252 WeakPolarHBondContact OD1-CB 2.9Å; D250-R252 VanDerWaalsContact OD1-CG 3.32Å; D250-R252 WeakPolarHBondContact OD1-CG 2.88Å; D250-R252 PolarHBondContact OD1-N 2.9Å; D250-R252 IonicContact OD1-NE 3.15Å; D250-R252 PolarHBondContact OD1-NE 3.26Å; D250-R252 IonicContact OD2-CZ 2.7Å; D250-R252 IonicContact OD2-NE 2.72Å; D250-R252 PolarHBondContact OD2-NE 3.15Å; D250-R252 IonicContact OD2-NH2 3.75Å; D250-R252 PolarHBondContact OD2-NH2 3.42Å; R252-H256 PolarHBondContact O-CE1 3.25Å; R252-H256 PolarHBondContact O-ND1 3.29Å
253	F	91.1	Very high	92.8	Very high	20 Å²	20	36.4 Å²	36.4	9%	0.088	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-111.1	9.8	-170.4	-47.5	-56.7	0	0	0	113.9	D250 I251 N255 H256 F282 T299	D250-F253 HydrophobicContact CB-CD2 3.86Å; D250-F253 HydrophobicContact CB-CE2 4.34Å; D250-F253 PolarHBondContact O-N 3.11Å; D250-F253 VanDerWaalsContact O-N 3.17Å; I251-F253 PolarHBondContact O-N 2.85Å; F253-N255 PolarHBondContact O-N 2.97Å; F253-H256 HydrophobicContact CB-CB 4.21Å; F253-H256 AromaticContact CD1-CD2 3.96Å; F253-H256 WeakPolarHBondContact O-CB 3.47Å; F253-H256 PolarHBondContact O-N 2.91Å; F253-F282 HydrophobicContact CB-CB 3.86Å; F253-F282 HydrophobicContact CB-CD1 3.48Å; F253-F282 VanDerWaalsContact CB-CD1 3.48Å; F253-F282 HydrophobicContact CB-CD2 3.95Å; F253-F282 HydrophobicContact CB-CE1 3.9Å; F253-F282 HydrophobicContact CB-CE2 4.33Å; F253-F282 HydrophobicContact CB-CG 3.48Å; F253-F282 VanDerWaalsContact CB-CG 3.48Å; F253-F282 HydrophobicContact CB-CZ 4.3Å; F253-F282 HydrophobicContact CD1-CB 3.54Å; F253-F282 HydrophobicContact CD1-CD2 4.03Å; F253-F282 AromaticContact CD1-CG 3.87Å; F253-F282 HydrophobicContact CD1-CG 3.87Å; F253-F282 HydrophobicContact CD2-CB 4.34Å; F253-F282 HydrophobicContact CD2-CD1 4.38Å; F253-F282 AromaticContact CD2-CD2 3.29Å; F253-F282 HydrophobicContact CD2-CD2 3.29Å; F253-F282 AromaticContact CD2-CE2 3.48Å; F253-F282 HydrophobicContact CD2-CE2 3.48Å; F253-F282 VanDerWaalsContact CD2-CE2 3.48Å; F253-F282 AromaticContact CD2-CG 3.77Å; F253-F282 HydrophobicContact CD2-CG 3.77Å; F253-F282 HydrophobicContact CD2-CZ 4.11Å; F253-F282 HydrophobicContact CE1-CB 4.2Å; F253-F282 HydrophobicContact CE1-CD2 4.41Å; F253-F282 AromaticContact CE2-CD2 3.76Å; F253-F282 HydrophobicContact CE2-CD2 3.76Å; F253-F282 HydrophobicContact CE2-CE2 4.04Å; F253-F282 HydrophobicContact CG-CB 3.63Å; F253-F282 AromaticContact CG-CD1 3.96Å; F253-F282 HydrophobicContact CG-CD1 3.96Å; F253-F282 AromaticContact CG-CD2 3.47Å; F253-F282 HydrophobicContact CG-CD2 3.47Å; F253-F282 VanDerWaalsContact CG-CD2 3.47Å; F253-F282 HydrophobicContact CG-CE1 4.46Å; F253-F282 HydrophobicContact CG-CE2 4.02Å; F253-F282 AromaticContact CG-CG 3.41Å; F253-F282 HydrophobicContact CG-CG 3.41Å; F253-F282 VanDerWaalsContact CG-CG 3.41Å; F253-F282 HydrophobicContact CG-CZ 4.47Å; F253-F282 HydrophobicContact CZ-CD2 4.31Å; F253-T299 HydrophobicContact CE1-CG2 3.93Å; F253-T299 HydrophobicContact CE2-CG2 4.47Å; F253-T299 HydrophobicContact CZ-CG2 3.54Å
254	A	84.9	Confident	92.8	Very high	15 Å²	15	39.7 Å²	39.7	12%	0.124	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-25.9	-176.6	0	0	0	0	0	114.7	R249 D250 I251	R249-A254 PolarHBondContact NH1-O 2.88Å; D250-A254 PolarHBondContact O-N 3.29Å; I251-A254 HydrophobicContact CD1-CB 4.31Å; I251-A254 PolarHBondContact O-N 3.11Å
255	N	86.1	Confident	92.6	Very high	145 Å²	145	41 Å²	41	78%	0.775	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-113	12	179.1	-62.5	-43.9	0	0	0	113.8	F253	F253-N255 PolarHBondContact O-N 2.97Å
256	H	90.3	Very high	92.5	Very high	45 Å²	45	45.3 Å²	45.3	21%	0.208	23%	0.229	C	C	.	.	S	Bend	trans	-90.2	153.9	-179.2	-70.9	53.2	0	0	0	110.9	R252 F253 F282 M283 S284	R252-H256 PolarHBondContact O-CE1 3.25Å; R252-H256 PolarHBondContact O-ND1 3.29Å; F253-H256 HydrophobicContact CB-CB 4.21Å; F253-H256 AromaticContact CD1-CD2 3.96Å; F253-H256 WeakPolarHBondContact O-CB 3.47Å; F253-H256 PolarHBondContact O-N 2.91Å; H256-F282 HydrophobicContact CB-CB 3.99Å; H256-M283 CarbonylContact C-O 3.47Å; H256-M283 WeakPolarHBondContact CA-O 3.36Å; H256-M283 WeakPolarHBondContact CB-O 3.5Å; H256-M283 VanDerWaalsContact CD2-C 3.42Å; H256-S284 PolarHBondContact CD2-N 3.45Å; H256-S284 VanDerWaalsContact CD2-N 3.3Å; H256-S284 WeakPolarHBondContact NE2-CB 3.4Å
257	E	90.9	Very high	92.1	Very high	76 Å²	76	47 Å²	47	36%	0.355	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	135.1	166.2	-66.1	-157.5	138.6	0	0	109.5	M283 K316	E257-M283 HydrophobicContact CB-CE 3.8Å; E257-M283 HydrophobicContact CG-CE 3.97Å; E257-M283 PolarHBondContact N-O 3.13Å; E257-M283 PolarHBondContact O-N 3.08Å; E257-M283 WeakPolarHBondContact OE2-CE 3.36Å; E257-K316 VanDerWaalsContact CD-NZ 3.33Å; E257-K316 IonicContact OE1-NZ 3.43Å; E257-K316 PolarHBondContact OE1-NZ 3.26Å; E257-K316 IonicContact OE2-NZ 2.65Å; E257-K316 PolarHBondContact OE2-NZ 2.95Å
258	T	94.1	Very high	91.7	Very high	11 Å²	11	53.2 Å²	53.2	7%	0.067	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	125.2	174.3	-47.5	0	0	0	0	110.3	F280 A317 T322	T258-F280 HydrophobicContact CG2-CD1 4.01Å; T258-A317 HydrophobicContact CG2-CB 3.87Å; T258-A317 PolarHBondContact O-N 2.81Å; T258-T322 HydrophobicContact CG2-CG2 3.42Å; T258-T322 VanDerWaalsContact CG2-CG2 3.42Å
259	L	94.9	Very high	91.3	Very high	7 Å²	7	57.5 Å²	57.5	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	150.6	-179.9	-51.7	169.3	0	0	0	108.3	F280 I281 M283 I296 I314 T315 K316	L259-F280 CarbonylContact O-C 3.47Å; L259-F280 VanDerWaalsContact O-CA 3.24Å; L259-F280 WeakPolarHBondContact O-CA 3.4Å; L259-I281 HydrophobicContact CB-CB 4.35Å; L259-I281 PolarHBondContact N-O 3.28Å; L259-I281 PolarHBondContact O-N 3.18Å; L259-M283 HydrophobicContact CD1-CB 3.59Å; L259-M283 HydrophobicContact CD1-CE 4.32Å; L259-M283 HydrophobicContact CD1-CG 4.25Å; L259-I296 HydrophobicContact CD1-CD1 3.78Å; L259-I314 HydrophobicContact CB-CB 4.35Å; L259-I314 HydrophobicContact CB-CD1 3.75Å; L259-I314 HydrophobicContact CD1-CD1 3.27Å; L259-I314 HydrophobicContact CD2-CD1 4.08Å; L259-I314 HydrophobicContact CG-CD1 3.85Å; L259-T315 CarbonylContact C-O 3.54Å; L259-T315 VanDerWaalsContact CA-O 3.24Å; L259-T315 WeakPolarHBondContact CA-O 3.45Å; L259-K316 HydrophobicContact CD2-CG 4.02Å
260	Q	96.2	Very high	90.8	Very high	71 Å²	71	64.7 Å²	64.7	33%	0.332	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	133.2	176.5	-178.3	175.8	34.6	0	0	109.5	I262 D279 F280 I314 T315 A317	Q260-I262 PolarHBondContact O-N 3.07Å; Q260-D279 WeakPolarHBondContact CA-O 3.34Å; Q260-F280 HydrophobicContact CB-CD1 4.07Å; Q260-F280 HydrophobicContact CB-CE1 3.96Å; Q260-F280 HydrophobicContact CG-CD1 4.42Å; Q260-F280 HydrophobicContact CG-CE1 4.1Å; Q260-I314 CarbonylContact O-C 3.52Å; Q260-I314 WeakPolarHBondContact O-CA 3.37Å; Q260-T315 HydrophobicContact CB-CG2 4.2Å; Q260-T315 PolarHBondContact N-O 2.7Å; Q260-T315 PolarHBondContact O-N 3.11Å; Q260-A317 HydrophobicContact CB-CB 4.02Å
261	V	95.4	Very high	90.6	Very high	2 Å²	2	67.7 Å²	67.7	1%	0.012	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	123.2	175.7	-179	0	0	0	0	109.9	Y263 L275 V276 G278 D279 I281 I314	V261-Y263 WeakPolarHBondContact CG1-O 3.13Å; V261-L275 HydrophobicContact CG1-CB 3.73Å; V261-L275 HydrophobicContact CG1-CD1 4.44Å; V261-L275 HydrophobicContact CG2-CB 4.28Å; V261-L275 HydrophobicContact CG2-CD2 4.14Å; V261-V276 WeakPolarHBondContact CB-O 3.43Å; V261-V276 WeakPolarHBondContact CG1-O 3.42Å; V261-G278 PolarHBondContact O-N 2.99Å; V261-D279 HydrophobicContact CG2-CB 4.14Å; V261-D279 PolarHBondContact N-O 3.3Å; V261-I281 HydrophobicContact CG2-CD1 4.03Å; V261-I281 HydrophobicContact CG2-CG1 3.75Å; V261-I314 HydrophobicContact CG2-CG2 4.22Å
262	I	93.3	Very high	90.7	Very high	69 Å²	69	66.1 Å²	66.1	35%	0.354	34%	0.341	S	S	.	.			trans	-103.7	-24	177	54.4	168.7	0	0	0	112.5	Q260 Y313 T315	Q260-I262 PolarHBondContact O-N 3.07Å; I262-Y313 VanDerWaalsContact CG1-C 3.41Å; I262-Y313 WeakPolarHBondContact CG1-O 3.37Å; I262-Y313 PolarHBondContact N-O 2.96Å; I262-T315 HydrophobicContact CG2-CG2 3.68Å
263	Y	89	Confident	90.9	Very high	99 Å²	99	64.1 Å²	64.1	39%	0.388	33%	0.334	S	S	.	.	S	Bend	trans	-131.8	143.4	179.9	-61.2	-59.5	0	0	0	111.3	V261 Y313 T633	V261-Y263 WeakPolarHBondContact CG1-O 3.13Å; Y263-Y313 VanDerWaalsContact CB-CD1 3.5Å; Y263-Y313 PolarHBondContact N-O 3.3Å; Y263-T633 HydrophobicContact CE2-CG2 4.46Å
264	P	93.6	Very high	91.1	Very high	84 Å²	84	68.9 Å²	68.9	55%	0.545	36%	0.356	S	S	.	.			trans	-71.3	147.5	177.7	30.2	-33.4	0	0	0	110.9	L275 P277 Y313	P264-L275 VanDerWaalsContact CA-O 3.29Å; P264-L275 WeakPolarHBondContact CA-O 3.33Å; P264-P277 HydrophobicContact CB-CG 3.96Å; P264-P277 HydrophobicContact CG-CG 4.23Å; P264-Y313 WeakPolarHBondContact O-CD1 3.04Å; P264-Y313 VanDerWaalsContact O-CE1 3.23Å; P264-Y313 WeakPolarHBondContact O-CE1 3.34Å
265	Y	92.4	Very high	91.6	Very high	28 Å²	28	68.3 Å²	68.3	11%	0.11	35%	0.351	C	S	.	.	B	Isolated β-bridge	trans	-143.6	131.5	176.2	-177.9	-103.5	0	0	0	110.8	E272 L273 L275 W295 P310 Y313	Y265-E272 HydrophobicContact CE1-CB 4.37Å; Y265-E272 WeakPolarHBondContact CE1-OE2 3.45Å; Y265-E272 PolarHBondContact OH-OE2 2.88Å; Y265-L273 WeakPolarHBondContact CD1-O 3.43Å; Y265-L275 HydrophobicContact CD1-CG 4.48Å; Y265-L275 HydrophobicContact CG-CD1 4.47Å; Y265-L275 PolarHBondContact N-O 3.34Å; Y265-L275 PolarHBondContact O-N 2.9Å; Y265-W295 HydrophobicContact CE1-CH2 4.43Å; Y265-W295 HydrophobicContact CE1-CZ3 4.4Å; Y265-W295 AromaticContact CZ-CH2 3.93Å; Y265-W295 WeakPolarHBondContact OH-CH2 3.47Å; Y265-P310 HydrophobicContact CD1-CG 4.49Å; Y265-P310 HydrophobicContact CD2-CG 3.87Å; Y265-P310 HydrophobicContact CE1-CG 4.48Å; Y265-P310 HydrophobicContact CE2-CG 3.86Å; Y265-P310 HydrophobicContact CG-CG 4.21Å; Y265-Y313 HydrophobicContact CD2-CD1 4.48Å; Y265-Y313 HydrophobicContact CD2-CE1 4.14Å
266	T	93.1	Very high	92.1	Very high	94 Å²	94	65.6 Å²	65.6	58%	0.577	34%	0.34	S	S	*	.			trans	-103.9	122.6	175.1	-55.7	0	0	0	0	109	Q268	T266-Q268 PolarHBondContact O-N 3.25Å; T266-Q268 PolarHBondContact O-NE2 2.86Å
267	P	89.8	Confident	92.3	Very high	42 Å²	42	66.8 Å²	66.8	27%	0.273	35%	0.351	S	S	.	.			trans	-52.9	135.9	179	-29.4	39.2	0	0	0	112	E272 E274	P267-E272 HydrophobicContact CB-CB 3.89Å; P267-E274 HydrophobicContact CG-CB 3.77Å; P267-E274 VanDerWaalsContact CG-N 3.31Å
268	Q	86.7	Confident	92.4	Very high	141 Å²	141	65.1 Å²	65.1	66%	0.659	36%	0.355	S	S	*	.	S	Bend	trans	-99.5	-25.1	172.8	-58.3	-56.9	-61.3	0	0	111.8	T266 E272	T266-Q268 PolarHBondContact O-N 3.25Å; T266-Q268 PolarHBondContact O-NE2 2.86Å; Q268-E272 PolarHBondContact N-OE2 3.02Å
269	N	87.8	Confident	92.5	Very high	92 Å²	92	65 Å²	65	49%	0.492	35%	0.354	S	S	.	.	S	Bend	trans	-126.4	160	178.4	-59.2	-70.9	0	0	0	110.4	D271 E272	N269-D271 WeakPolarHBondContact CB-OD1 3.16Å; N269-D271 PolarHBondContact O-N 3.31Å; N269-E272 HydrophobicContact CB-CG 4.16Å; N269-E272 PolarHBondContact ND2-OE1 3.37Å; N269-E272 WeakPolarHBondContact O-CB 3.18Å; N269-E272 PolarHBondContact O-N 3.43Å; N269-E272 VanDerWaalsContact O-N 3.14Å
270	D	84.3	Confident	92.6	Very high	182 Å²	182	66.3 Å²	66.3	97%	0.973	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.5	-176.8	-66.9	-28.7	0	0	0	113.7
271	D	88.8	Confident	92.6	Very high	91 Å²	91	62.9 Å²	62.9	49%	0.487	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-1.5	176.6	63.4	-34.8	0	0	0	113.3	N269 G307 L308	N269-D271 WeakPolarHBondContact CB-OD1 3.16Å; N269-D271 PolarHBondContact O-N 3.31Å; D271-G307 CarbonylContact O-C 3.6Å; D271-G307 VanDerWaalsContact O-CA 3.32Å; D271-G307 WeakPolarHBondContact O-CA 3.12Å; D271-L308 PolarHBondContact O-N 3.47Å; D271-L308 WeakPolarHBondContact OD2-CD1 3.37Å
272	E	92.4	Very high	92.6	Very high	24 Å²	24	63.2 Å²	63.2	11%	0.112	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-94.6	147.3	-179.4	-66.2	175.5	-166.1	0	0	113	Y265 P267 Q268 N269 W295 L308	Y265-E272 HydrophobicContact CE1-CB 4.37Å; Y265-E272 WeakPolarHBondContact CE1-OE2 3.45Å; Y265-E272 PolarHBondContact OH-OE2 2.88Å; P267-E272 HydrophobicContact CB-CB 3.89Å; Q268-E272 PolarHBondContact N-OE2 3.02Å; N269-E272 HydrophobicContact CB-CG 4.16Å; N269-E272 PolarHBondContact ND2-OE1 3.37Å; N269-E272 WeakPolarHBondContact O-CB 3.18Å; N269-E272 PolarHBondContact O-N 3.43Å; N269-E272 VanDerWaalsContact O-N 3.14Å; E272-W295 HydrophobicContact CG-CH2 4.09Å; E272-W295 HydrophobicContact CG-CZ3 3.83Å; E272-W295 WeakPolarHBondContact OE1-CH2 3.36Å; E272-L308 CarbonylContact C-O 3.51Å; E272-L308 VanDerWaalsContact CA-O 3.25Å; E272-L308 WeakPolarHBondContact CA-O 3.41Å; E272-L308 HydrophobicContact CG-CB 4.36Å
273	L	94	Very high	92.5	Very high	9 Å²	9	60.2 Å²	60.2	5%	0.047	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-97.6	130.3	-178	-173.6	65.4	0	0	0	111.4	Y265 L275 I281 C305 L308 L309	Y265-L273 WeakPolarHBondContact CD1-O 3.43Å; L273-L275 HydrophobicContact CD2-CD2 4.33Å; L273-L275 HydrophobicContact CG-CD2 4.4Å; L273-I281 HydrophobicContact CD2-CD1 3.92Å; L273-C305 HydrophobicContact CD1-CB 3.97Å; L273-C305 WeakPolarHBondContact CD1-O 3.34Å; L273-L308 PolarHBondContact N-O 2.83Å; L273-L309 HydrophobicContact CD2-CD2 4.23Å
274	E	94.6	Very high	92.4	Very high	119 Å²	119	56.2 Å²	56.2	56%	0.556	32%	0.316	S	S	*	.	P	Polyproline II helix	trans	-68.1	133.3	172.1	-174	175.2	-160.2	0	0	110.5	P267	P267-E274 HydrophobicContact CG-CB 3.77Å; P267-E274 VanDerWaalsContact CG-N 3.31Å
275	L	96.1	Very high	91.4	Very high	4 Å²	4	55.8 Å²	55.8	2%	0.021	31%	0.312	C	S	.	.	B	Isolated β-bridge	trans	-113.9	127.8	179.9	-53.1	-177.5	0	0	0	111.3	V261 P264 Y265 L273 I281 L309 Y313	V261-L275 HydrophobicContact CG1-CB 3.73Å; V261-L275 HydrophobicContact CG1-CD1 4.44Å; V261-L275 HydrophobicContact CG2-CB 4.28Å; V261-L275 HydrophobicContact CG2-CD2 4.14Å; P264-L275 VanDerWaalsContact CA-O 3.29Å; P264-L275 WeakPolarHBondContact CA-O 3.33Å; Y265-L275 HydrophobicContact CD1-CG 4.48Å; Y265-L275 HydrophobicContact CG-CD1 4.47Å; Y265-L275 PolarHBondContact N-O 3.34Å; Y265-L275 PolarHBondContact O-N 2.9Å; L273-L275 HydrophobicContact CD2-CD2 4.33Å; L273-L275 HydrophobicContact CG-CD2 4.4Å; L275-I281 HydrophobicContact CD2-CD1 4.14Å; L275-I281 HydrophobicContact CD2-CG1 4.44Å; L275-L309 HydrophobicContact CD1-CB 4.08Å; L275-L309 HydrophobicContact CD1-CD1 4.18Å; L275-L309 HydrophobicContact CD2-CB 3.9Å; L275-L309 HydrophobicContact CD2-CD1 3.81Å; L275-L309 HydrophobicContact CD2-CG 4.4Å; L275-L309 HydrophobicContact CG-CB 4.29Å; L275-Y313 HydrophobicContact CD1-CD1 4.45Å; L275-Y313 HydrophobicContact CD1-CG 4.45Å
276	V	95.4	Very high	90.5	Very high	87 Å²	87	62 Å²	62	53%	0.527	35%	0.345	S	S	.	.			trans	-113.3	125.1	173.6	-178.9	0	0	0	0	108.8	V261 G278 D279	V261-V276 WeakPolarHBondContact CB-O 3.43Å; V261-V276 WeakPolarHBondContact CG1-O 3.42Å; V276-G278 PolarHBondContact O-N 3.16Å; V276-D279 VanDerWaalsContact O-CB 3.23Å; V276-D279 WeakPolarHBondContact O-CB 3.32Å; V276-D279 PolarHBondContact O-N 3.24Å
277	P	95.3	Very high	89.2	Confident	70 Å²	70	61.6 Å²	61.6	46%	0.455	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.2	133.3	179.4	-28.6	36.4	0	0	0	112.5	P264 D279	P264-P277 HydrophobicContact CB-CG 3.96Å; P264-P277 HydrophobicContact CG-CG 4.23Å; P277-D279 VanDerWaalsContact C-N 3.35Å
278	G	92.6	Very high	88	Confident	41 Å²	41	63.2 Å²	63.2	42%	0.423	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	90	-13.6	-175.9	0	0	0	0	0	114.9	V261 V276	V261-G278 PolarHBondContact O-N 2.99Å; V276-G278 PolarHBondContact O-N 3.16Å
279	D	96.2	Very high	86.7	Confident	9 Å²	9	63 Å²	63	5%	0.048	35%	0.349	C	S	.	.			trans	-65.8	156.9	170.8	-168	21.9	0	0	0	111.1	Q260 V261 V276 P277 S300 T302	Q260-D279 WeakPolarHBondContact CA-O 3.34Å; V261-D279 HydrophobicContact CG2-CB 4.14Å; V261-D279 PolarHBondContact N-O 3.3Å; V276-D279 VanDerWaalsContact O-CB 3.23Å; V276-D279 WeakPolarHBondContact O-CB 3.32Å; V276-D279 PolarHBondContact O-N 3.24Å; P277-D279 VanDerWaalsContact C-N 3.35Å; D279-S300 WeakPolarHBondContact OD2-CB 3.47Å; D279-S300 PolarHBondContact OD2-OG 3.01Å; D279-T302 VanDerWaalsContact CG-OG1 3.27Å; D279-T302 VanDerWaalsContact OD1-CB 3.31Å; D279-T302 WeakPolarHBondContact OD1-CB 3.23Å; D279-T302 PolarHBondContact OD1-N 3.22Å; D279-T302 VanDerWaalsContact OD1-N 3.17Å; D279-T302 PolarHBondContact OD1-OG1 2.88Å
280	F	97	Very high	85.3	Confident	34 Å²	34	63.6 Å²	63.6	15%	0.149	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	136.3	175.2	-66.5	-82.5	0	0	0	110.7	T258 L259 Q260 L301 A317 T322	T258-F280 HydrophobicContact CG2-CD1 4.01Å; L259-F280 CarbonylContact O-C 3.47Å; L259-F280 VanDerWaalsContact O-CA 3.24Å; L259-F280 WeakPolarHBondContact O-CA 3.4Å; Q260-F280 HydrophobicContact CB-CD1 4.07Å; Q260-F280 HydrophobicContact CB-CE1 3.96Å; Q260-F280 HydrophobicContact CG-CD1 4.42Å; Q260-F280 HydrophobicContact CG-CE1 4.1Å; F280-L301 HydrophobicContact CB-CB 4.04Å; F280-L301 HydrophobicContact CB-CD2 3.97Å; F280-L301 HydrophobicContact CD2-CD2 3.99Å; F280-L301 HydrophobicContact CG-CD2 4.38Å; F280-L301 VanDerWaalsContact O-CB 3.3Å; F280-L301 WeakPolarHBondContact O-CB 3.38Å; F280-L301 PolarHBondContact O-N 3.07Å; F280-A317 HydrophobicContact CD1-CB 3.88Å; F280-A317 HydrophobicContact CE1-CB 3.75Å; F280-T322 HydrophobicContact CB-CG2 3.66Å; F280-T322 HydrophobicContact CD1-CG2 4.04Å; F280-T322 HydrophobicContact CD2-CG2 4.2Å; F280-T322 HydrophobicContact CG-CG2 3.7Å
281	I	96.6	Very high	84.6	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	131.2	177.8	-52.8	-56.8	0	0	0	108.9	L259 V261 L273 L275 T299 L309 I314	L259-I281 HydrophobicContact CB-CB 4.35Å; L259-I281 PolarHBondContact N-O 3.28Å; L259-I281 PolarHBondContact O-N 3.18Å; V261-I281 HydrophobicContact CG2-CD1 4.03Å; V261-I281 HydrophobicContact CG2-CG1 3.75Å; L273-I281 HydrophobicContact CD2-CD1 3.92Å; L275-I281 HydrophobicContact CD2-CD1 4.14Å; L275-I281 HydrophobicContact CD2-CG1 4.44Å; I281-T299 CarbonylContact C-O 3.57Å; I281-T299 WeakPolarHBondContact CA-O 3.19Å; I281-L309 HydrophobicContact CG1-CD1 4.13Å; I281-L309 HydrophobicContact CG2-CD1 4.19Å; I281-L309 HydrophobicContact CG2-CD2 4.15Å; I281-I314 HydrophobicContact CG1-CG2 4.48Å
282	F	95.2	Very high	83.7	Confident	9 Å²	9	56.7 Å²	56.7	4%	0.039	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.7	169.5	-59.3	-73.2	0	0	0	109.7	F253 H256 G298 T299 L301 T322	F253-F282 HydrophobicContact CB-CB 3.86Å; F253-F282 HydrophobicContact CB-CD1 3.48Å; F253-F282 VanDerWaalsContact CB-CD1 3.48Å; F253-F282 HydrophobicContact CB-CD2 3.95Å; F253-F282 HydrophobicContact CB-CE1 3.9Å; F253-F282 HydrophobicContact CB-CE2 4.33Å; F253-F282 HydrophobicContact CB-CG 3.48Å; F253-F282 VanDerWaalsContact CB-CG 3.48Å; F253-F282 HydrophobicContact CB-CZ 4.3Å; F253-F282 HydrophobicContact CD1-CB 3.54Å; F253-F282 HydrophobicContact CD1-CD2 4.03Å; F253-F282 AromaticContact CD1-CG 3.87Å; F253-F282 HydrophobicContact CD1-CG 3.87Å; F253-F282 HydrophobicContact CD2-CB 4.34Å; F253-F282 HydrophobicContact CD2-CD1 4.38Å; F253-F282 AromaticContact CD2-CD2 3.29Å; F253-F282 HydrophobicContact CD2-CD2 3.29Å; F253-F282 AromaticContact CD2-CE2 3.48Å; F253-F282 HydrophobicContact CD2-CE2 3.48Å; F253-F282 VanDerWaalsContact CD2-CE2 3.48Å; F253-F282 AromaticContact CD2-CG 3.77Å; F253-F282 HydrophobicContact CD2-CG 3.77Å; F253-F282 HydrophobicContact CD2-CZ 4.11Å; F253-F282 HydrophobicContact CE1-CB 4.2Å; F253-F282 HydrophobicContact CE1-CD2 4.41Å; F253-F282 AromaticContact CE2-CD2 3.76Å; F253-F282 HydrophobicContact CE2-CD2 3.76Å; F253-F282 HydrophobicContact CE2-CE2 4.04Å; F253-F282 HydrophobicContact CG-CB 3.63Å; F253-F282 AromaticContact CG-CD1 3.96Å; F253-F282 HydrophobicContact CG-CD1 3.96Å; F253-F282 AromaticContact CG-CD2 3.47Å; F253-F282 HydrophobicContact CG-CD2 3.47Å; F253-F282 VanDerWaalsContact CG-CD2 3.47Å; F253-F282 HydrophobicContact CG-CE1 4.46Å; F253-F282 HydrophobicContact CG-CE2 4.02Å; F253-F282 AromaticContact CG-CG 3.41Å; F253-F282 HydrophobicContact CG-CG 3.41Å; F253-F282 VanDerWaalsContact CG-CG 3.41Å; F253-F282 HydrophobicContact CG-CZ 4.47Å; F253-F282 HydrophobicContact CZ-CD2 4.31Å; H256-F282 HydrophobicContact CB-CB 3.99Å; F282-G298 CarbonylContact O-C 3.53Å; F282-G298 VanDerWaalsContact O-CA 3.25Å; F282-G298 WeakPolarHBondContact O-CA 3.22Å; F282-T299 PolarHBondContact N-O 2.78Å; F282-T299 PolarHBondContact O-N 3.11Å; F282-L301 HydrophobicContact CE2-CB 3.82Å; F282-L301 HydrophobicContact CE2-CD1 3.68Å; F282-L301 HydrophobicContact CE2-CG 4.28Å; F282-L301 HydrophobicContact CZ-CB 4.46Å; F282-L301 HydrophobicContact CZ-CD1 3.94Å; F282-T322 HydrophobicContact CE1-CG2 3.89Å; F282-T322 HydrophobicContact CZ-CG2 3.79Å
283	M	92.6	Very high	82.8	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.03	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	128.7	-179.7	176	-82.1	-71.5	0	0	110.6	H256 E257 L259 Q288	H256-M283 CarbonylContact C-O 3.47Å; H256-M283 WeakPolarHBondContact CA-O 3.36Å; H256-M283 WeakPolarHBondContact CB-O 3.5Å; H256-M283 VanDerWaalsContact CD2-C 3.42Å; E257-M283 HydrophobicContact CB-CE 3.8Å; E257-M283 HydrophobicContact CG-CE 3.97Å; E257-M283 PolarHBondContact N-O 3.13Å; E257-M283 PolarHBondContact O-N 3.08Å; E257-M283 WeakPolarHBondContact OE2-CE 3.36Å; L259-M283 HydrophobicContact CD1-CB 3.59Å; L259-M283 HydrophobicContact CD1-CE 4.32Å; L259-M283 HydrophobicContact CD1-CG 4.25Å; M283-Q288 HydrophobicContact CG-CG 4.44Å; M283-Q288 HydrophobicContact SD-CG 3.8Å; M283-Q288 PolarHBondContact SD-NE2 3.08Å
284	S	84.8	Confident	82.2	Confident	15 Å²	15	64.9 Å²	64.9	11%	0.105	38%	0.379	C	S	.	.			trans	-83.8	123.8	175.8	179.2	0	0	0	0	110.4	H256 M286 E287	H256-S284 PolarHBondContact CD2-N 3.45Å; H256-S284 VanDerWaalsContact CD2-N 3.3Å; H256-S284 WeakPolarHBondContact NE2-CB 3.4Å; S284-M286 PolarHBondContact O-N 3.17Å; S284-M286 VanDerWaalsContact O-N 3.09Å; S284-M286 PolarHBondContact OG-N 2.73Å; S284-E287 PolarHBondContact O-N 3.29Å
285	P	74.3	Confident	81.9	Confident	74 Å²	74	62.8 Å²	62.8	48%	0.481	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-20.9	175.1	-23.8	33.8	0	0	0	113.9
286	M	72.4	Confident	81.6	Confident	160 Å²	160	62.9 Å²	62.9	79%	0.788	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.5	-33.8	-178.9	-64.6	-164.8	167	0	0	112.7	S284 Q288 T289	S284-M286 PolarHBondContact O-N 3.17Å; S284-M286 VanDerWaalsContact O-N 3.09Å; S284-M286 PolarHBondContact OG-N 2.73Å; M286-Q288 VanDerWaalsContact C-N 3.31Å; M286-Q288 PolarHBondContact O-N 3.01Å; M286-T289 PolarHBondContact O-OG1 2.86Å
287	E	66.6	Low	81.5	Confident	85 Å²	85	62.8 Å²	62.8	40%	0.397	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-81.5	-9.1	-173.9	-66.3	174.1	171.7	0	0	113	S284 T289 S290 Y297	S284-E287 PolarHBondContact O-N 3.29Å; E287-T289 VanDerWaalsContact C-N 3.3Å; E287-T289 PolarHBondContact O-N 2.9Å; E287-S290 PolarHBondContact O-OG 3.31Å; E287-Y297 WeakPolarHBondContact OE2-CD1 3.43Å
288	Q	65.3	Low	81.4	Confident	76 Å²	76	59.5 Å²	59.5	36%	0.355	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-70	-24.2	177	-67.5	-161	-19.8	0	0	114	M283 M286 S290 T291	M283-Q288 HydrophobicContact CG-CG 4.44Å; M283-Q288 HydrophobicContact SD-CG 3.8Å; M283-Q288 PolarHBondContact SD-NE2 3.08Å; M286-Q288 VanDerWaalsContact C-N 3.31Å; M286-Q288 PolarHBondContact O-N 3.01Å; Q288-S290 PolarHBondContact O-N 2.9Å; Q288-S290 VanDerWaalsContact O-N 3.08Å; Q288-T291 PolarHBondContact O-N 3.17Å; Q288-T291 VanDerWaalsContact O-N 3.15Å; Q288-T291 PolarHBondContact O-OG1 2.87Å
289	T	57.4	Low	81.6	Confident	137 Å²	137	58 Å²	58	84%	0.84	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-64.5	-17.4	-172.4	53.5	0	0	0	0	114.2	M286 E287	M286-T289 PolarHBondContact O-OG1 2.86Å; E287-T289 VanDerWaalsContact C-N 3.3Å; E287-T289 PolarHBondContact O-N 2.9Å
290	S	58.2	Low	81.6	Confident	104 Å²	104	57.6 Å²	57.6	73%	0.727	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-103.9	-3.6	179.4	49.3	0	0	0	0	114.5	E287 Q288	E287-S290 PolarHBondContact O-OG 3.31Å; Q288-S290 PolarHBondContact O-N 2.9Å; Q288-S290 VanDerWaalsContact O-N 3.08Å
291	T	70.4	Confident	81.5	Confident	38 Å²	38	58.3 Å²	58.3	23%	0.233	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-86.6	146.8	-174.3	57.2	0	0	0	0	113.1	Q288 W295 L308	Q288-T291 PolarHBondContact O-N 3.17Å; Q288-T291 VanDerWaalsContact O-N 3.15Å; Q288-T291 PolarHBondContact O-OG1 2.87Å; T291-W295 PolarHBondContact OG1-O 2.57Å; T291-L308 HydrophobicContact CG2-CD2 3.9Å
292	S	69.9	Low	81.4	Confident	90 Å²	90	61.6 Å²	61.6	63%	0.629	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-71	153.4	175.5	-66.5	0	0	0	0	111.1	G294 W295	S292-G294 PolarHBondContact O-N 3.02Å; S292-W295 PolarHBondContact O-N 3.23Å; S292-W295 VanDerWaalsContact O-N 3.09Å
293	E	73.9	Confident	81.3	Confident	171 Å²	171	63.3 Å²	63.3	80%	0.799	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	128.3	-179.2	-172.8	173.5	-164.6	0	0	111.9
294	G	80.8	Confident	81.3	Confident	34 Å²	34	63 Å²	63	35%	0.351	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.5	-2.2	-179.4	0	0	0	0	0	115.4	S292 E311	S292-G294 PolarHBondContact O-N 3.02Å; G294-E311 PolarHBondContact O-N 2.72Å
295	W	88.3	Confident	81.8	Confident	75 Å²	75	64.1 Å²	64.1	28%	0.284	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	147.1	175.9	-68.4	83.1	0	0	0	110.8	Y265 E272 T291 S292 L308 L309 P310	Y265-W295 HydrophobicContact CE1-CH2 4.43Å; Y265-W295 HydrophobicContact CE1-CZ3 4.4Å; Y265-W295 AromaticContact CZ-CH2 3.93Å; Y265-W295 WeakPolarHBondContact OH-CH2 3.47Å; E272-W295 HydrophobicContact CG-CH2 4.09Å; E272-W295 HydrophobicContact CG-CZ3 3.83Å; E272-W295 WeakPolarHBondContact OE1-CH2 3.36Å; T291-W295 PolarHBondContact OG1-O 2.57Å; S292-W295 PolarHBondContact O-N 3.23Å; S292-W295 VanDerWaalsContact O-N 3.09Å; W295-L308 HydrophobicContact CE3-CB 3.92Å; W295-L308 HydrophobicContact CZ3-CB 4.32Å; W295-L309 WeakPolarHBondContact CA-O 3.37Å; W295-L309 VanDerWaalsContact CE3-C 3.47Å; W295-P310 HydrophobicContact CE3-CG 4.46Å; W295-P310 HydrophobicContact CH2-CG 4.28Å; W295-P310 HydrophobicContact CZ3-CG 4.12Å
296	I	90.7	Very high	82.7	Confident	6 Å²	6	62.9 Å²	62.9	3%	0.031	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	152.6	172.5	64	174.2	0	0	0	109.3	L259 L308 L309 E311 I314	L259-I296 HydrophobicContact CD1-CD1 3.78Å; I296-L308 CarbonylContact O-C 3.53Å; I296-L308 WeakPolarHBondContact O-CA 3.5Å; I296-L309 HydrophobicContact CD1-CD1 3.96Å; I296-L309 HydrophobicContact CD1-CD2 4.39Å; I296-L309 HydrophobicContact CD1-CG 4.07Å; I296-L309 HydrophobicContact CG1-CD1 4.03Å; I296-L309 HydrophobicContact CG1-CD2 3.86Å; I296-L309 HydrophobicContact CG1-CG 3.56Å; I296-L309 PolarHBondContact N-O 3.17Å; I296-L309 WeakPolarHBondContact O-CD2 3.24Å; I296-L309 PolarHBondContact O-N 3.39Å; I296-E311 HydrophobicContact CG2-CB 4.08Å; I296-E311 HydrophobicContact CG2-CG 4.03Å; I296-I314 HydrophobicContact CD1-CD1 3.31Å; I296-I314 HydrophobicContact CD1-CG1 4.19Å
297	Y	92.8	Very high	83.7	Confident	84 Å²	84	55.3 Å²	55.3	33%	0.329	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	134.6	169.8	-168.1	-94.2	0	0	0	109.2	E287 S306 G307 L308	E287-Y297 WeakPolarHBondContact OE2-CD1 3.43Å; Y297-S306 VanDerWaalsContact OH-CB 3.23Å; Y297-S306 WeakPolarHBondContact OH-CB 3.05Å; Y297-G307 WeakPolarHBondContact CA-O 3.48Å; Y297-L308 HydrophobicContact CD2-CD2 4.05Å; Y297-L308 HydrophobicContact CD2-CG 4.31Å
298	G	94.1	Very high	84.9	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.01	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	168.2	-178.8	0	0	0	0	0	112.9	F282 S306 G307	F282-G298 CarbonylContact O-C 3.53Å; F282-G298 VanDerWaalsContact O-CA 3.25Å; F282-G298 WeakPolarHBondContact O-CA 3.22Å; G298-S306 CarbonylContact O-C 3.54Å; G298-S306 VanDerWaalsContact O-CA 3.23Å; G298-S306 WeakPolarHBondContact O-CA 3.23Å; G298-G307 PolarHBondContact N-O 3.01Å; G298-G307 PolarHBondContact O-N 2.97Å
299	T	95.4	Very high	86.3	Confident	10 Å²	10	49.6 Å²	49.6	6%	0.061	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	127.9	178.7	-52.7	0	0	0	0	110.5	F253 I281 F282 G304 C305 S306	F253-T299 HydrophobicContact CE1-CG2 3.93Å; F253-T299 HydrophobicContact CE2-CG2 4.47Å; F253-T299 HydrophobicContact CZ-CG2 3.54Å; I281-T299 CarbonylContact C-O 3.57Å; I281-T299 WeakPolarHBondContact CA-O 3.19Å; F282-T299 PolarHBondContact N-O 2.78Å; F282-T299 PolarHBondContact O-N 3.11Å; T299-G304 WeakPolarHBondContact CG2-O 3.37Å; T299-C305 CarbonylContact C-O 3.47Å; T299-C305 WeakPolarHBondContact CA-O 3.32Å; T299-C305 WeakPolarHBondContact CG2-O 3.31Å; T299-S306 WeakPolarHBondContact CG2-OG 3.17Å; T299-S306 PolarHBondContact OG1-OG 2.86Å
300	S	96.5	Very high	87.9	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.007	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	132.2	177.2	160.7	0	0	0	0	110.9	D279 T302 T303 G304 C305	D279-S300 WeakPolarHBondContact OD2-CB 3.47Å; D279-S300 PolarHBondContact OD2-OG 3.01Å; S300-T302 VanDerWaalsContact C-N 3.33Å; S300-T302 PolarHBondContact OG-N 3Å; S300-T303 WeakPolarHBondContact CB-OG1 3.5Å; S300-T303 PolarHBondContact OG-N 2.86Å; S300-T303 VanDerWaalsContact OG-N 3.15Å; S300-T303 PolarHBondContact OG-OG1 2.97Å; S300-G304 VanDerWaalsContact O-CA 3.22Å; S300-G304 WeakPolarHBondContact O-CA 3.12Å; S300-G304 PolarHBondContact O-N 3.28Å; S300-C305 PolarHBondContact N-O 2.81Å
301	L	95.1	Very high	89.4	Confident	48 Å²	48	42.3 Å²	42.3	25%	0.251	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-36.5	172.7	174.4	65.7	0	0	0	111.3	H76 F280 F282 T322	H76-L301 PolarHBondContact CE1-O 2.93Å; H76-L301 PolarHBondContact NE2-O 3.02Å; F280-L301 HydrophobicContact CB-CB 4.04Å; F280-L301 HydrophobicContact CB-CD2 3.97Å; F280-L301 HydrophobicContact CD2-CD2 3.99Å; F280-L301 HydrophobicContact CG-CD2 4.38Å; F280-L301 VanDerWaalsContact O-CB 3.3Å; F280-L301 WeakPolarHBondContact O-CB 3.38Å; F280-L301 PolarHBondContact O-N 3.07Å; F282-L301 HydrophobicContact CE2-CB 3.82Å; F282-L301 HydrophobicContact CE2-CD1 3.68Å; F282-L301 HydrophobicContact CE2-CG 4.28Å; F282-L301 HydrophobicContact CZ-CB 4.46Å; F282-L301 HydrophobicContact CZ-CD1 3.94Å; L301-T322 HydrophobicContact CD2-CG2 3.92Å
302	T	93.8	Very high	90.3	Very high	70 Å²	70	45.7 Å²	45.7	43%	0.429	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	-32.5	-174.9	-61.9	0	0	0	0	112.6	S75 H76 D279 S300	S75-T302 WeakPolarHBondContact CB-O 3.33Å; H76-T302 VanDerWaalsContact CE1-C 3.48Å; H76-T302 PolarHBondContact CE1-O 2.81Å; H76-T302 PolarHBondContact ND1-O 3.22Å; D279-T302 VanDerWaalsContact CG-OG1 3.27Å; D279-T302 VanDerWaalsContact OD1-CB 3.31Å; D279-T302 WeakPolarHBondContact OD1-CB 3.23Å; D279-T302 PolarHBondContact OD1-N 3.22Å; D279-T302 VanDerWaalsContact OD1-N 3.17Å; D279-T302 PolarHBondContact OD1-OG1 2.88Å; S300-T302 VanDerWaalsContact C-N 3.33Å; S300-T302 PolarHBondContact OG-N 3Å
303	T	94.4	Very high	91.3	Very high	44 Å²	44	42.7 Å²	42.7	27%	0.27	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	-19.3	-175	62.9	0	0	0	0	114.2	S75 H76 S300 C305	S75-T303 WeakPolarHBondContact O-CA 3.33Å; H76-T303 WeakPolarHBondContact CA-O 3.31Å; S300-T303 WeakPolarHBondContact CB-OG1 3.5Å; S300-T303 PolarHBondContact OG-N 2.86Å; S300-T303 VanDerWaalsContact OG-N 3.15Å; S300-T303 PolarHBondContact OG-OG1 2.97Å; T303-C305 PolarHBondContact O-N 3.47Å; T303-C305 PolarHBondContact OG1-N 2.84Å
304	G	93.1	Very high	92.3	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.01	19%	0.194	C	C	.	.			trans	69.1	-0	-170.9	0	0	0	0	0	114.2	T299 S300	T299-G304 WeakPolarHBondContact CG2-O 3.37Å; S300-G304 VanDerWaalsContact O-CA 3.22Å; S300-G304 WeakPolarHBondContact O-CA 3.12Å; S300-G304 PolarHBondContact O-N 3.28Å
305	C	93.6	Very high	92.8	Very high	38 Å²	38	37.1 Å²	37.1	26%	0.257	20%	0.197	S	C	.	.			trans	-78.3	145.3	177.9	-63.5	0	0	0	0	111.1	L273 T299 S300 T303	L273-C305 HydrophobicContact CD1-CB 3.97Å; L273-C305 WeakPolarHBondContact CD1-O 3.34Å; T299-C305 CarbonylContact C-O 3.47Å; T299-C305 WeakPolarHBondContact CA-O 3.32Å; T299-C305 WeakPolarHBondContact CG2-O 3.31Å; S300-C305 PolarHBondContact N-O 2.81Å; T303-C305 PolarHBondContact O-N 3.47Å; T303-C305 PolarHBondContact OG1-N 2.84Å
306	S	93.8	Very high	92.9	Very high	47 Å²	47	39 Å²	39	33%	0.329	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	147.7	177	-48.2	0	0	0	0	111	Y297 G298 T299	Y297-S306 VanDerWaalsContact OH-CB 3.23Å; Y297-S306 WeakPolarHBondContact OH-CB 3.05Å; G298-S306 CarbonylContact O-C 3.54Å; G298-S306 VanDerWaalsContact O-CA 3.23Å; G298-S306 WeakPolarHBondContact O-CA 3.23Å; T299-S306 WeakPolarHBondContact CG2-OG 3.17Å; T299-S306 PolarHBondContact OG1-OG 2.86Å
307	G	92.8	Very high	92.9	Very high	2 Å²	2	39.3 Å²	39.3	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.7	179.6	176.5	0	0	0	0	0	112.8	D271 Y297 G298	D271-G307 CarbonylContact O-C 3.6Å; D271-G307 VanDerWaalsContact O-CA 3.32Å; D271-G307 WeakPolarHBondContact O-CA 3.12Å; Y297-G307 WeakPolarHBondContact CA-O 3.48Å; G298-G307 PolarHBondContact N-O 3.01Å; G298-G307 PolarHBondContact O-N 2.97Å
308	L	93.3	Very high	92.8	Very high	40 Å²	40	36.7 Å²	36.7	21%	0.209	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	136.5	174.2	-68.5	175.5	0	0	0	111.1	D271 E272 L273 T291 W295 I296 Y297	D271-L308 PolarHBondContact O-N 3.47Å; D271-L308 WeakPolarHBondContact OD2-CD1 3.37Å; E272-L308 CarbonylContact C-O 3.51Å; E272-L308 VanDerWaalsContact CA-O 3.25Å; E272-L308 WeakPolarHBondContact CA-O 3.41Å; E272-L308 HydrophobicContact CG-CB 4.36Å; L273-L308 PolarHBondContact N-O 2.83Å; T291-L308 HydrophobicContact CG2-CD2 3.9Å; W295-L308 HydrophobicContact CE3-CB 3.92Å; W295-L308 HydrophobicContact CZ3-CB 4.32Å; I296-L308 CarbonylContact O-C 3.53Å; I296-L308 WeakPolarHBondContact O-CA 3.5Å; Y297-L308 HydrophobicContact CD2-CD2 4.05Å; Y297-L308 HydrophobicContact CD2-CG 4.31Å
309	L	93.5	Very high	92.6	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	152.4	177.3	62.7	144.8	0	0	0	111.9	L273 L275 I281 W295 I296 E311 I314	L273-L309 HydrophobicContact CD2-CD2 4.23Å; L275-L309 HydrophobicContact CD1-CB 4.08Å; L275-L309 HydrophobicContact CD1-CD1 4.18Å; L275-L309 HydrophobicContact CD2-CB 3.9Å; L275-L309 HydrophobicContact CD2-CD1 3.81Å; L275-L309 HydrophobicContact CD2-CG 4.4Å; L275-L309 HydrophobicContact CG-CB 4.29Å; I281-L309 HydrophobicContact CG1-CD1 4.13Å; I281-L309 HydrophobicContact CG2-CD1 4.19Å; I281-L309 HydrophobicContact CG2-CD2 4.15Å; W295-L309 WeakPolarHBondContact CA-O 3.37Å; W295-L309 VanDerWaalsContact CE3-C 3.47Å; I296-L309 HydrophobicContact CD1-CD1 3.96Å; I296-L309 HydrophobicContact CD1-CD2 4.39Å; I296-L309 HydrophobicContact CD1-CG 4.07Å; I296-L309 HydrophobicContact CG1-CD1 4.03Å; I296-L309 HydrophobicContact CG1-CD2 3.86Å; I296-L309 HydrophobicContact CG1-CG 3.56Å; I296-L309 PolarHBondContact N-O 3.17Å; I296-L309 WeakPolarHBondContact O-CD2 3.24Å; I296-L309 PolarHBondContact O-N 3.39Å; L309-E311 PolarHBondContact O-N 2.7Å; L309-I314 HydrophobicContact CD1-CG2 3.73Å
310	P	91.3	Very high	92.4	Very high	10 Å²	10	39.5 Å²	39.5	7%	0.065	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	129.6	177.6	-19.6	32.5	0	0	0	112.4	Y265 W295 N312 Y313	Y265-P310 HydrophobicContact CD1-CG 4.49Å; Y265-P310 HydrophobicContact CD2-CG 3.87Å; Y265-P310 HydrophobicContact CE1-CG 4.48Å; Y265-P310 HydrophobicContact CE2-CG 3.86Å; Y265-P310 HydrophobicContact CG-CG 4.21Å; W295-P310 HydrophobicContact CE3-CG 4.46Å; W295-P310 HydrophobicContact CH2-CG 4.28Å; W295-P310 HydrophobicContact CZ3-CG 4.12Å; P310-N312 WeakPolarHBondContact CB-OD1 3.4Å; P310-N312 PolarHBondContact O-N 3.35Å; P310-Y313 HydrophobicContact CB-CD2 3.61Å; P310-Y313 HydrophobicContact CB-CE2 4.09Å; P310-Y313 HydrophobicContact CB-CG 4.13Å; P310-Y313 HydrophobicContact CG-CD2 4.17Å; P310-Y313 HydrophobicContact CG-CE2 4.44Å; P310-Y313 HydrophobicContact CG-CG 4.41Å; P310-Y313 PolarHBondContact O-N 2.94Å; P310-Y313 VanDerWaalsContact O-N 3.16Å
311	E	90	Very high	92.1	Very high	79 Å²	79	42.1 Å²	42.1	37%	0.369	24%	0.235	S	C	.	.	G	3₁₀ helix	trans	-62.1	-30.4	-177.5	-169.3	-176	176.4	0	0	112.6	G294 I296 L309 Y313 I314	G294-E311 PolarHBondContact O-N 2.72Å; I296-E311 HydrophobicContact CG2-CB 4.08Å; I296-E311 HydrophobicContact CG2-CG 4.03Å; L309-E311 PolarHBondContact O-N 2.7Å; E311-Y313 VanDerWaalsContact C-N 3.25Å; E311-Y313 PolarHBondContact O-N 2.78Å; E311-I314 WeakPolarHBondContact O-CG1 3.38Å
312	N	89.4	Confident	92.1	Very high	109 Å²	109	40.3 Å²	40.3	58%	0.583	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-80.2	-0.6	-178.6	64.2	-45.7	0	0	0	114.3	P310	P310-N312 WeakPolarHBondContact CB-OD1 3.4Å; P310-N312 PolarHBondContact O-N 3.35Å
313	Y	91.5	Very high	92.1	Very high	26 Å²	26	37.8 Å²	37.8	10%	0.102	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-96.9	1.4	-178.9	-79.6	-126	0	0	0	112.9	I262 Y263 P264 Y265 L275 P310 E311 P636	I262-Y313 VanDerWaalsContact CG1-C 3.41Å; I262-Y313 WeakPolarHBondContact CG1-O 3.37Å; I262-Y313 PolarHBondContact N-O 2.96Å; Y263-Y313 VanDerWaalsContact CB-CD1 3.5Å; Y263-Y313 PolarHBondContact N-O 3.3Å; P264-Y313 WeakPolarHBondContact O-CD1 3.04Å; P264-Y313 VanDerWaalsContact O-CE1 3.23Å; P264-Y313 WeakPolarHBondContact O-CE1 3.34Å; Y265-Y313 HydrophobicContact CD2-CD1 4.48Å; Y265-Y313 HydrophobicContact CD2-CE1 4.14Å; L275-Y313 HydrophobicContact CD1-CD1 4.45Å; L275-Y313 HydrophobicContact CD1-CG 4.45Å; P310-Y313 HydrophobicContact CB-CD2 3.61Å; P310-Y313 HydrophobicContact CB-CE2 4.09Å; P310-Y313 HydrophobicContact CB-CG 4.13Å; P310-Y313 HydrophobicContact CG-CD2 4.17Å; P310-Y313 HydrophobicContact CG-CE2 4.44Å; P310-Y313 HydrophobicContact CG-CG 4.41Å; P310-Y313 PolarHBondContact O-N 2.94Å; P310-Y313 VanDerWaalsContact O-N 3.16Å; E311-Y313 VanDerWaalsContact C-N 3.25Å; E311-Y313 PolarHBondContact O-N 2.78Å; Y313-P636 WeakPolarHBondContact OH-CD 3.47Å
314	I	93.8	Very high	92.2	Very high	20 Å²	20	36.8 Å²	36.8	10%	0.103	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	163	-175.2	55.3	141.3	0	0	0	111.3	L259 Q260 V261 I281 I296 L309 E311	L259-I314 HydrophobicContact CB-CB 4.35Å; L259-I314 HydrophobicContact CB-CD1 3.75Å; L259-I314 HydrophobicContact CD1-CD1 3.27Å; L259-I314 HydrophobicContact CD2-CD1 4.08Å; L259-I314 HydrophobicContact CG-CD1 3.85Å; Q260-I314 CarbonylContact O-C 3.52Å; Q260-I314 WeakPolarHBondContact O-CA 3.37Å; V261-I314 HydrophobicContact CG2-CG2 4.22Å; I281-I314 HydrophobicContact CG1-CG2 4.48Å; I296-I314 HydrophobicContact CD1-CD1 3.31Å; I296-I314 HydrophobicContact CD1-CG1 4.19Å; L309-I314 HydrophobicContact CD1-CG2 3.73Å; E311-I314 WeakPolarHBondContact O-CG1 3.38Å
315	T	92.3	Very high	92.3	Very high	68 Å²	68	40.1 Å²	40.1	42%	0.417	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	160.7	171.9	-169.8	0	0	0	0	110.7	L259 Q260 I262 A317	L259-T315 CarbonylContact C-O 3.54Å; L259-T315 VanDerWaalsContact CA-O 3.24Å; L259-T315 WeakPolarHBondContact CA-O 3.45Å; Q260-T315 HydrophobicContact CB-CG2 4.2Å; Q260-T315 PolarHBondContact N-O 2.7Å; Q260-T315 PolarHBondContact O-N 3.11Å; I262-T315 HydrophobicContact CG2-CG2 3.68Å; T315-A317 PolarHBondContact O-N 3.4Å
316	K	90.4	Very high	92.3	Very high	116 Å²	116	40.1 Å²	40.1	50%	0.504	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	126.4	176.4	-69.5	-159	173.2	-152.5	0	110.4	E257 L259	E257-K316 VanDerWaalsContact CD-NZ 3.33Å; E257-K316 IonicContact OE1-NZ 3.43Å; E257-K316 PolarHBondContact OE1-NZ 3.26Å; E257-K316 IonicContact OE2-NZ 2.65Å; E257-K316 PolarHBondContact OE2-NZ 2.95Å; L259-K316 HydrophobicContact CD2-CG 4.02Å
317	A	90.9	Very high	92.1	Very high	11 Å²	11	38.6 Å²	38.6	9%	0.091	20%	0.203	C	C	.	.	P	Polyproline II helix	trans	-99.4	168	175.9	0	0	0	0	0	111.6	K117 T258 Q260 F280 T315	K117-A317 PolarHBondContact NZ-O 2.88Å; T258-A317 HydrophobicContact CG2-CB 3.87Å; T258-A317 PolarHBondContact O-N 2.81Å; Q260-A317 HydrophobicContact CB-CB 4.02Å; F280-A317 HydrophobicContact CD1-CB 3.88Å; F280-A317 HydrophobicContact CE1-CB 3.75Å; T315-A317 PolarHBondContact O-N 3.4Å
318	D	90.3	Very high	92.1	Very high	29 Å²	29	40.5 Å²	40.5	16%	0.155	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-82.8	133.7	171.1	-58.3	-19.7	0	0	0	108.1	K112 K117 H121 C320 S321	K112-D318 IonicContact NZ-OD1 3.46Å; K112-D318 PolarHBondContact NZ-OD1 2.91Å; K112-D318 VanDerWaalsContact NZ-OD1 3.15Å; K112-D318 IonicContact NZ-OD2 3.78Å; K112-D318 PolarHBondContact NZ-OD2 2.69Å; K117-D318 WeakPolarHBondContact CE-OD1 3.37Å; K117-D318 IonicContact NZ-OD1 2.73Å; K117-D318 PolarHBondContact NZ-OD1 3.33Å; H121-D318 WeakPolarHBondContact O-CB 3.31Å; D318-C320 VanDerWaalsContact C-N 3.27Å; D318-C320 PolarHBondContact O-N 2.82Å; D318-S321 WeakPolarHBondContact O-CB 3.46Å; D318-S321 PolarHBondContact O-N 3.01Å; D318-S321 PolarHBondContact O-OG 3.45Å
319	E	89.9	Confident	92.1	Very high	46 Å²	46	41.7 Å²	41.7	22%	0.215	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-55.7	-42.8	-173.2	-169.4	-169.2	147.7	0	0	112	N122 R249 S321 T322 W323	N122-E319 HydrophobicContact CB-CB 4.08Å; N122-E319 PolarHBondContact O-N 3.38Å; R249-E319 IonicContact CZ-OE1 3.85Å; R249-E319 IonicContact NH1-OE1 3.83Å; R249-E319 PolarHBondContact NH1-OE1 3.13Å; E319-S321 PolarHBondContact O-N 3Å; E319-T322 PolarHBondContact O-N 3.37Å; E319-T322 PolarHBondContact O-OG1 2.84Å; E319-W323 HydrophobicContact CG-CZ2 4.48Å; E319-W323 VanDerWaalsContact O-CD1 3.29Å; E319-W323 PolarHBondContact O-NE1 3.4Å; E319-W323 WeakPolarHBondContact OE1-CZ2 3.32Å
320	C	90.4	Very high	91.9	Very high	25 Å²	25	43.6 Å²	43.6	17%	0.169	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-65.9	-10.3	-179.3	73.4	0	0	0	0	114.2	N122 I123 F124 D318 T322 W323	N122-C320 WeakPolarHBondContact O-CB 3.49Å; N122-C320 PolarHBondContact O-N 2.98Å; N122-C320 PolarHBondContact O-SG 3.3Å; N122-C320 VanDerWaalsContact O-SG 3.37Å; I123-C320 HydrophobicContact CG2-CB 4.3Å; F124-C320 HydrophobicContact CD1-CB 3.95Å; F124-C320 HydrophobicContact CE1-CB 3.92Å; D318-C320 VanDerWaalsContact C-N 3.27Å; D318-C320 PolarHBondContact O-N 2.82Å; C320-T322 PolarHBondContact O-N 3.41Å; C320-W323 HydrophobicContact CB-CD2 4.25Å; C320-W323 HydrophobicContact CB-CG 4.45Å; C320-W323 PolarHBondContact O-N 3.16Å
321	S	91.5	Very high	91.5	Very high	56 Å²	56	43.3 Å²	43.3	39%	0.392	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-64.7	-22.9	175.7	-44.1	0	0	0	0	112.5	D318 E319	D318-S321 WeakPolarHBondContact O-CB 3.46Å; D318-S321 PolarHBondContact O-N 3.01Å; D318-S321 PolarHBondContact O-OG 3.45Å; E319-S321 PolarHBondContact O-N 3Å
322	T	93.6	Very high	91	Very high	10 Å²	10	43.2 Å²	43.2	6%	0.061	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-99.3	-2.4	179.9	63.3	0	0	0	0	113.4	T258 F280 F282 L301 E319 C320	T258-T322 HydrophobicContact CG2-CG2 3.42Å; T258-T322 VanDerWaalsContact CG2-CG2 3.42Å; F280-T322 HydrophobicContact CB-CG2 3.66Å; F280-T322 HydrophobicContact CD1-CG2 4.04Å; F280-T322 HydrophobicContact CD2-CG2 4.2Å; F280-T322 HydrophobicContact CG-CG2 3.7Å; F282-T322 HydrophobicContact CE1-CG2 3.89Å; F282-T322 HydrophobicContact CZ-CG2 3.79Å; L301-T322 HydrophobicContact CD2-CG2 3.92Å; E319-T322 PolarHBondContact O-N 3.37Å; E319-T322 PolarHBondContact O-OG1 2.84Å; C320-T322 PolarHBondContact O-N 3.41Å
323	W	94.8	Very high	89.3	Confident	17 Å²	17	43.6 Å²	43.6	6%	0.064	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-79.6	141.4	-175.7	-67.7	15.2	0	0	0	110.9	V91 Y93 I123 F132 F247 S248 R249 E319 C320	V91-W323 HydrophobicContact CG1-CZ3 3.92Å; Y93-W323 HydrophobicContact CE2-CE3 4.46Å; Y93-W323 HydrophobicContact CE2-CH2 4.14Å; Y93-W323 AromaticContact CE2-CZ3 3.47Å; Y93-W323 HydrophobicContact CE2-CZ3 3.47Å; Y93-W323 VanDerWaalsContact CE2-CZ3 3.47Å; Y93-W323 AromaticContact CZ-CZ3 3.84Å; Y93-W323 VanDerWaalsContact OH-CH2 3.32Å; Y93-W323 WeakPolarHBondContact OH-CH2 3.41Å; Y93-W323 WeakPolarHBondContact OH-CZ3 3.37Å; I123-W323 HydrophobicContact CD1-CH2 3.78Å; I123-W323 HydrophobicContact CD1-CZ2 4.13Å; I123-W323 HydrophobicContact CG1-CH2 4.13Å; I123-W323 HydrophobicContact CG1-CZ2 4.28Å; I123-W323 HydrophobicContact CG2-CH2 4.21Å; I123-W323 HydrophobicContact CG2-CZ3 4.3Å; F132-W323 HydrophobicContact CE1-CH2 4.27Å; F132-W323 AromaticContact CZ-CH2 3.59Å; F132-W323 HydrophobicContact CZ-CH2 3.59Å; F132-W323 AromaticContact CZ-CZ2 3.93Å; F132-W323 HydrophobicContact CZ-CZ2 3.93Å; F132-W323 HydrophobicContact CZ-CZ3 4.25Å; F247-W323 HydrophobicContact CB-CE3 3.83Å; F247-W323 HydrophobicContact CB-CZ3 4.48Å; F247-W323 HydrophobicContact CD1-CB 4.38Å; F247-W323 HydrophobicContact CG-CE3 4.23Å; S248-W323 WeakPolarHBondContact O-CA 3.04Å; R249-W323 HydrophobicContact CB-CG 4.44Å; E319-W323 HydrophobicContact CG-CZ2 4.48Å; E319-W323 VanDerWaalsContact O-CD1 3.29Å; E319-W323 PolarHBondContact O-NE1 3.4Å; E319-W323 WeakPolarHBondContact OE1-CZ2 3.32Å; C320-W323 HydrophobicContact CB-CD2 4.25Å; C320-W323 HydrophobicContact CB-CG 4.45Å; C320-W323 PolarHBondContact O-N 3.16Å
324	I	95.9	Very high	87	Confident	22 Å²	22	47.3 Å²	47.3	11%	0.113	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	122	-178.1	-53.8	-55.9	0	0	0	109	S60 G62 R88 F247 S248 H326	S60-I324 WeakPolarHBondContact O-CD1 3.28Å; S60-I324 VanDerWaalsContact O-CG1 3.3Å; S60-I324 WeakPolarHBondContact O-CG1 3.42Å; G62-I324 VanDerWaalsContact N-CG2 3.25Å; R88-I324 VanDerWaalsContact NH2-CG1 3.32Å; F247-I324 CarbonylContact C-O 3.57Å; F247-I324 VanDerWaalsContact CA-O 3.27Å; F247-I324 WeakPolarHBondContact CA-O 3.32Å; S248-I324 PolarHBondContact N-O 3.08Å; S248-I324 PolarHBondContact O-N 3.2Å; I324-H326 PolarHBondContact O-CD2 3.1Å; I324-H326 VanDerWaalsContact O-CD2 3.27Å
325	F	94.9	Very high	84.2	Confident	71 Å²	71	52.2 Å²	52.2	31%	0.311	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	130.9	172.3	173.8	-91.8	0	0	0	110.8	G62 T245 F247 G327	G62-F325 WeakPolarHBondContact CA-O 3.28Å; T245-F325 HydrophobicContact CG2-CD2 3.61Å; T245-F325 HydrophobicContact CG2-CE2 3.37Å; F247-F325 HydrophobicContact CD1-CB 4.28Å; F247-F325 HydrophobicContact CE1-CB 3.98Å; F247-F325 AromaticContact CE1-CD2 3.86Å; F247-F325 HydrophobicContact CE1-CD2 3.86Å; F247-F325 HydrophobicContact CE1-CG 4.44Å; F247-F325 AromaticContact CZ-CD2 3.95Å; F247-F325 HydrophobicContact CZ-CD2 3.95Å; F325-G327 VanDerWaalsContact CZ-C 3.43Å
326	H	93.9	Very high	81.3	Confident	39 Å²	39	52.9 Å²	52.9	18%	0.181	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	-14.6	-179.6	-74.6	-90.3	0	0	0	114.1	A59 Y90 I246 S248 I324	A59-H326 PolarHBondContact O-CE1 3.18Å; A59-H326 PolarHBondContact O-NE2 2.93Å; Y90-H326 AromaticContact CE1-CD2 3.7Å; Y90-H326 AromaticContact CE1-CE1 3.69Å; Y90-H326 AromaticContact CE1-NE2 3.43Å; Y90-H326 WeakPolarHBondContact CE1-NE2 3.36Å; I246-H326 HydrophobicContact CB-CB 4.31Å; I246-H326 HydrophobicContact CG2-CB 3.99Å; I246-H326 PolarHBondContact O-N 3.48Å; S248-H326 WeakPolarHBondContact CB-NE2 3.42Å; S248-H326 PolarHBondContact OG-NE2 2.81Å; I324-H326 PolarHBondContact O-CD2 3.1Å; I324-H326 VanDerWaalsContact O-CD2 3.27Å
327	G	90.3	Very high	78.5	Confident	14 Å²	14	53.4 Å²	53.4	14%	0.144	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	154	157.4	179.6	0	0	0	0	0	112.6	T245 I246 F325	T245-G327 WeakPolarHBondContact CA-O 3.42Å; T245-G327 WeakPolarHBondContact CG2-O 3.5Å; I246-G327 PolarHBondContact N-O 2.76Å; I246-G327 VanDerWaalsContact N-O 3.11Å; F325-G327 VanDerWaalsContact CZ-C 3.43Å
328	S	92.8	Very high	75.5	Confident	43 Å²	43	59.2 Å²	59.2	30%	0.301	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	133.7	-178.8	70.6	0	0	0	0	110.7	A244	A244-S328 CarbonylContact O-C 3.6Å; A244-S328 VanDerWaalsContact O-CA 3.3Å; A244-S328 WeakPolarHBondContact O-CA 3.32Å
329	Y	92.6	Very high	72.8	Confident	65 Å²	65	63.2 Å²	63.2	26%	0.255	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	124.3	-178.8	-58.9	-82.8	0	0	0	110.9	L147 Q148 V243 A244	L147-Y329 HydrophobicContact CB-CD2 4.44Å; L147-Y329 HydrophobicContact CB-CE2 4.28Å; L147-Y329 HydrophobicContact CD2-CD2 3.61Å; L147-Y329 HydrophobicContact CD2-CE2 3.89Å; L147-Y329 HydrophobicContact CG-CD2 3.71Å; L147-Y329 HydrophobicContact CG-CE2 4.03Å; Q148-Y329 HydrophobicContact CB-CD1 4.35Å; Q148-Y329 HydrophobicContact CB-CE1 3.78Å; Q148-Y329 HydrophobicContact CB-CE2 4.15Å; Q148-Y329 HydrophobicContact CG-CD1 4.07Å; Q148-Y329 HydrophobicContact CG-CE1 3.6Å; V243-Y329 WeakPolarHBondContact CG1-O 3.31Å; A244-Y329 PolarHBondContact N-O 3.15Å; A244-Y329 PolarHBondContact O-N 2.89Å
330	S	88.8	Confident	70	Confident	39 Å²	39	68.2 Å²	68.2	27%	0.273	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	141.8	175.2	173.7	0	0	0	0	110.8	V151 D241 L332	V151-S330 WeakPolarHBondContact CG1-O 3.4Å; D241-S330 VanDerWaalsContact CG-OG 3.23Å; D241-S330 PolarHBondContact OD1-OG 3.45Å; D241-S330 WeakPolarHBondContact OD2-CB 3.03Å; D241-S330 PolarHBondContact OD2-OG 2.87Å; S330-L332 PolarHBondContact OG-N 3.49Å; S330-L332 PolarHBondContact OG-O 3.46Å
331	I	83.4	Confident	67	Low	5 Å²	5	73.4 Å²	73.4	3%	0.026	44%	0.439	C	S	.	.			trans	-99.2	-14.9	178.6	-56.4	176.8	0	0	0	110.4	L94 V151 C156 F158 W242 A244	L94-I331 HydrophobicContact CD1-CD1 3.55Å; V151-I331 HydrophobicContact CG1-CG1 4.19Å; C156-I331 PolarHBondContact N-O 3.05Å; F158-I331 HydrophobicContact CB-CG2 4.23Å; F158-I331 HydrophobicContact CD1-CG2 3.85Å; F158-I331 HydrophobicContact CD2-CB 4.45Å; F158-I331 HydrophobicContact CD2-CD1 3.73Å; F158-I331 HydrophobicContact CD2-CG2 3.84Å; F158-I331 HydrophobicContact CE1-CD1 4.33Å; F158-I331 HydrophobicContact CE1-CG2 4.13Å; F158-I331 HydrophobicContact CE2-CD1 3.11Å; F158-I331 HydrophobicContact CE2-CG1 4.37Å; F158-I331 HydrophobicContact CE2-CG2 4.13Å; F158-I331 HydrophobicContact CG-CG2 3.7Å; F158-I331 HydrophobicContact CZ-CD1 3.47Å; F158-I331 VanDerWaalsContact CZ-CD1 3.47Å; F158-I331 HydrophobicContact CZ-CG2 4.27Å; W242-I331 WeakPolarHBondContact O-CB 3.33Å; W242-I331 WeakPolarHBondContact O-CD1 3.48Å; W242-I331 VanDerWaalsContact O-CG1 3.28Å; W242-I331 WeakPolarHBondContact O-CG1 3.5Å; A244-I331 HydrophobicContact CB-CD1 4.34Å
332	L	79.6	Confident	64.2	Low	76 Å²	76	77.6 Å²	77.6	40%	0.398	45%	0.451	S	S	.	.	S	Bend	trans	-78.3	155.1	170.3	-69.6	-175	0	0	0	112.9	D241 S330 T334	D241-L332 HydrophobicContact CB-CD1 3.51Å; D241-L332 HydrophobicContact CB-CG 4.01Å; D241-L332 VanDerWaalsContact OD1-CG 3.22Å; D241-L332 WeakPolarHBondContact OD1-CG 3.35Å; D241-L332 PolarHBondContact OD1-N 3.26Å; S330-L332 PolarHBondContact OG-N 3.49Å; S330-L332 PolarHBondContact OG-O 3.46Å; L332-T334 PolarHBondContact O-N 2.84Å
333	N	53	Low	61	Low	118 Å²	118	80.7 Å²	80.7	63%	0.631	48%	0.484	S	S	*	.			trans	-91.2	80.9	180	-157	27.9	0	0	0	110
334	T	42.9	Very low	57.9	Low	103 Å²	103	86.3 Å²	86.3	63%	0.632	52%	0.516	S	S	*	.			trans	-116.7	115.2	159.8	63.9	0	0	0	0	108.5	L332 S336	L332-T334 PolarHBondContact O-N 2.84Å; T334-S336 PolarHBondContact O-N 3.23Å
335	S	37.1	Very low	54.6	Low	124 Å²	124	89.2 Å²	89.2	87%	0.867	55%	0.551	S	S	*	*			trans	-71.5	83.1	171.7	47.7	0	0	0	0	108.9
336	S	29.7	Very low	51.4	Low	82 Å²	82	91 Å²	91	57%	0.573	57%	0.567	S	S	*	*			trans	-149.1	90.6	162.8	37.4	0	0	0	0	108.2	T334 N338	T334-S336 PolarHBondContact O-N 3.23Å; S336-N338 PolarHBondContact O-N 3.42Å
337	S	32.7	Very low	48.2	Very low	126 Å²	126	97.1 Å²	97.1	88%	0.881	60%	0.601	S	S	*	*			trans	-62.8	86	157.2	18.8	0	0	0	0	108.1
338	N	28.4	Very low	45	Very low	134 Å²	134	104.2 Å²	104.2	72%	0.717	63%	0.63	S	S	*	*			trans	-133.8	123.3	154.7	-86.2	-17.8	0	0	0	105.7	S336 L340	S336-N338 PolarHBondContact O-N 3.42Å; N338-L340 PolarHBondContact O-N 3.02Å
339	S	32	Very low	41.7	Very low	113 Å²	113	113.9 Å²	113.9	79%	0.79	66%	0.66	S	S	*	*			trans	-50.3	106.3	166.3	49	0	0	0	0	108.5	T341	S339-T341 VanDerWaalsContact C-N 3.35Å; S339-T341 PolarHBondContact O-N 2.92Å
340	L	32.2	Very low	38.4	Very low	151 Å²	151	119.8 Å²	119.8	79%	0.791	68%	0.682	S	S	*	*			trans	-67.2	98.5	171	-71.9	166.7	0	0	0	106.9	N338 F342	N338-L340 PolarHBondContact O-N 3.02Å; L340-F342 PolarHBondContact O-N 2.98Å
341	T	26.7	Very low	35.3	Very low	134 Å²	134	123.9 Å²	123.9	82%	0.822	71%	0.708	S	S	*	*			trans	-61	104.1	159.3	41	0	0	0	0	106.8	S339 G343	S339-T341 VanDerWaalsContact C-N 3.35Å; S339-T341 PolarHBondContact O-N 2.92Å; T341-G343 PolarHBondContact O-N 3.29Å
342	F	33.8	Very low	32.4	Very low	144 Å²	144	134 Å²	134	63%	0.632	75%	0.747	S	S	*	*			trans	-62	119.7	170.1	-101.7	-95.7	0	0	0	108.5	L340 D344	L340-F342 PolarHBondContact O-N 2.98Å; F342-D344 PolarHBondContact O-N 3.3Å
343	G	24.9	Very low	29.7	Very low	75 Å²	75	139.5 Å²	139.5	77%	0.773	77%	0.771	S	S	*	*			trans	-66.6	108.3	163.2	0	0	0	0	0	108.1	T341	T341-G343 PolarHBondContact O-N 3.29Å
344	D	30.5	Very low	28.3	Very low	134 Å²	134	140.9 Å²	140.9	72%	0.717	78%	0.778	S	S	*	*			trans	-69.7	139.3	167.1	-150.6	-6.3	0	0	0	108.2	F342 V346	F342-D344 PolarHBondContact O-N 3.3Å; D344-V346 HydrophobicContact CB-CG2 4.07Å; D344-V346 PolarHBondContact O-N 3.33Å
345	G	25.6	Very low	27.3	Very low	84 Å²	84	145.5 Å²	145.5	87%	0.866	79%	0.793	S	S	*	*			trans	-73.2	46.1	172.9	0	0	0	0	0	111.8
346	V	27.7	Very low	26.6	Very low	107 Å²	107	143 Å²	143	65%	0.648	79%	0.786	S	S	*	*			trans	-90.8	126.5	169.6	177.1	0	0	0	0	107.2	D344 E348	D344-V346 HydrophobicContact CB-CG2 4.07Å; D344-V346 PolarHBondContact O-N 3.33Å; V346-E348 PolarHBondContact O-N 3.36Å
347	L	27.1	Very low	26.4	Very low	169 Å²	169	148.2 Å²	148.2	89%	0.885	81%	0.807	S	S	*	*			trans	-34.2	132.7	172.2	-88.6	124.2	0	0	0	113.3	R349	L347-R349 PolarHBondContact O-N 2.83Å; L347-R349 VanDerWaalsContact O-N 3.17Å
348	E	23.3	Very low	25.9	Very low	162 Å²	162	145.6 Å²	145.6	76%	0.757	80%	0.8	S	S	*	*			trans	-38.9	115	174.2	-76.4	-171.8	123.5	0	0	113	V346 R350	V346-E348 PolarHBondContact O-N 3.36Å; E348-R350 IonicContact OE1-NE 3.98Å
349	R	24.4	Very low	25.6	Very low	246 Å²	246	148.8 Å²	148.8	93%	0.928	81%	0.811	S	S	*	*			trans	-111.5	110.2	144.2	-97.6	-167.9	-167.8	-146.5	6.4	107.8	L347	L347-R349 PolarHBondContact O-N 2.83Å; L347-R349 VanDerWaalsContact O-N 3.17Å
350	R	22.6	Very low	25.4	Very low	189 Å²	189	149.9 Å²	149.9	71%	0.713	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-68.4	133.1	170.9	-65.6	-172.1	177.9	-172.6	0.5	110.1	E348	E348-R350 IonicContact OE1-NE 3.98Å
351	P	23.6	Very low	25	Very low	126 Å²	126	148.9 Å²	148.9	82%	0.818	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-90.6	124	163.7	29.9	-21.2	0	0	0	109.7
352	Y	21.9	Very low	24.9	Very low	216 Å²	216	148.3 Å²	148.3	85%	0.847	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-85.8	119.5	164.3	-97.8	-92.1	0	0	0	108.1
353	E	23.8	Very low	24.4	Very low	192 Å²	192	149.3 Å²	149.3	90%	0.897	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-85.1	145.8	158.8	-84.4	-170.2	148.3	0	0	110.4
354	D	23.9	Very low	24.5	Very low	148 Å²	148	151.8 Å²	151.8	79%	0.791	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-72.1	136.5	-172.9	-179.2	23.7	0	0	0	113.3
355	Q	22.3	Very low	24.3	Very low	200 Å²	200	152.8 Å²	152.8	94%	0.935	83%	0.826	S	S	*	*			trans	-167.7	111.6	148.8	-110.6	172.4	68.3	0	0	111.3
356	G	21.7	Very low	24.3	Very low	71 Å²	71	155.8 Å²	155.8	73%	0.732	82%	0.821	S	S	*	*			trans	115.8	102.8	140.6	0	0	0	0	0	118.7
357	L	24.6	Very low	24.2	Very low	191 Å²	191	156 Å²	156	100%	1	83%	0.826	S	S	*	*			trans	-25.6	133.5	160.5	-77.4	131.8	0	0	0	117.7
358	G	22.5	Very low	24.1	Very low	72 Å²	72	156.4 Å²	156.4	74%	0.742	82%	0.823	S	S	*	*			trans	172.9	89.4	160.6	0	0	0	0	0	115.5
359	E	22.6	Very low	24.3	Very low	201 Å²	201	154.6 Å²	154.6	94%	0.939	83%	0.826	S	S	*	*			trans	54.6	133.9	153.7	-65.1	-171.1	161.6	0	0	123.2
360	T	26.8	Very low	24.4	Very low	136 Å²	136	151.7 Å²	151.7	83%	0.834	83%	0.825	S	S	*	*			trans	-77.5	132.1	-177.8	48.6	0	0	0	0	114.1
361	T	23.9	Very low	24.7	Very low	130 Å²	130	151.3 Å²	151.3	80%	0.798	83%	0.831	S	S	*	*			trans	-152.8	143.8	145.6	30.1	0	0	0	0	110.7
362	P	24.6	Very low	25	Very low	122 Å²	122	150.9 Å²	150.9	79%	0.792	83%	0.829	S	S	*	*			trans	-87.1	123.3	-175.3	32.9	-29.1	0	0	0	110.7
363	L	25	Very low	25.2	Very low	165 Å²	165	149 Å²	149	86%	0.864	83%	0.832	S	S	*	*			trans	-104.3	111.2	173.9	-77.6	170.2	0	0	0	111.2	I365	L363-I365 PolarHBondContact O-N 3.18Å
364	T	25.7	Very low	25.4	Very low	126 Å²	126	150.7 Å²	150.7	77%	0.773	83%	0.83	S	S	*	*			trans	-51.1	120.6	162.3	-24.3	0	0	0	0	110	I366	T364-I366 PolarHBondContact O-N 3.11Å; T364-I366 VanDerWaalsContact O-N 3.12Å
365	I	26.8	Very low	25.8	Very low	155 Å²	155	149.9 Å²	149.9	80%	0.795	83%	0.83	S	S	*	*			trans	-76	100.8	173.6	-63.8	176.2	0	0	0	108.1	L363	L363-I365 PolarHBondContact O-N 3.18Å
366	I	26.4	Very low	26	Very low	148 Å²	148	147.8 Å²	147.8	76%	0.759	83%	0.826	S	S	*	*			trans	-82.1	108.6	158.4	-64.3	175.1	0	0	0	106.1	T364 Q368	T364-I366 PolarHBondContact O-N 3.11Å; T364-I366 VanDerWaalsContact O-N 3.12Å; I366-Q368 PolarHBondContact O-N 2.84Å
367	C	25.1	Very low	26.5	Very low	111 Å²	111	149.5 Å²	149.5	75%	0.75	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-57.5	119.5	168.7	-74.6	0	0	0	0	109.7
368	Q	25.3	Very low	26.7	Very low	177 Å²	177	149 Å²	149	83%	0.827	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-79.3	139.8	163.8	-72.6	-172.1	-22.8	0	0	109.6	I366 M370	I366-Q368 PolarHBondContact O-N 2.84Å; Q368-M370 PolarHBondContact O-N 2.83Å
369	P	26.7	Very low	27.2	Very low	124 Å²	124	151.5 Å²	151.5	81%	0.805	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-71.9	123.1	178.6	28	-30.5	0	0	0	110.2	Q371	P369-Q371 PolarHBondContact O-N 2.77Å
370	M	26.4	Very low	28.2	Very low	186 Å²	186	144.3 Å²	144.3	92%	0.916	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-62.6	124.3	167.1	-75.6	179.5	68.9	0	0	109	Q368	Q368-M370 PolarHBondContact O-N 2.83Å
371	Q	28.2	Very low	29.4	Very low	181 Å²	181	143.8 Å²	143.8	85%	0.846	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-69.6	139.8	169.6	-76.4	-176.8	-26.5	0	0	110.2	P369	P369-Q371 PolarHBondContact O-N 2.77Å
372	P	31.1	Very low	31.1	Very low	117 Å²	117	145.3 Å²	145.3	76%	0.76	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-70.3	134.7	177.1	27	-31.3	0	0	0	111	R374	P372-R374 PolarHBondContact O-N 2.54Å
373	L	26.3	Very low	33.9	Very low	175 Å²	175	144.3 Å²	144.3	92%	0.916	78%	0.783	S	S	*	*			trans	-59.8	102.7	167.1	-85.1	148.2	0	0	0	109	V375	L373-V375 PolarHBondContact O-N 3.47Å
374	R	28.4	Very low	37.1	Very low	228 Å²	228	138 Å²	138	86%	0.86	75%	0.747	S	S	*	*			trans	-69.2	110.4	168	-91.3	-176.7	172	170.3	-2.1	109.2	P372 N376	P372-R374 PolarHBondContact O-N 2.54Å; R374-N376 PolarHBondContact O-N 2.96Å
375	V	32.2	Very low	40.4	Very low	131 Å²	131	133 Å²	133	79%	0.794	72%	0.717	S	S	*	*			trans	-70.3	106.6	159.6	179.6	0	0	0	0	107.1	L373 S377	L373-V375 PolarHBondContact O-N 3.47Å; V375-S377 PolarHBondContact O-N 2.8Å
376	N	25.3	Very low	43.8	Very low	156 Å²	156	125.7 Å²	125.7	83%	0.834	68%	0.679	S	S	*	*			trans	-74.6	98.6	171.8	-107.4	6.8	0	0	0	108.8	R374	R374-N376 PolarHBondContact O-N 2.96Å
377	S	32.1	Very low	47.3	Very low	108 Å²	108	118.9 Å²	118.9	76%	0.755	64%	0.644	S	S	*	*			trans	-96.6	118.7	165.4	51.1	0	0	0	0	110	V375	V375-S377 PolarHBondContact O-N 2.8Å
378	Q	29.2	Very low	50.8	Low	179 Å²	179	113.6 Å²	113.6	84%	0.836	61%	0.609	S	S	*	*			trans	-63.6	147.5	165.9	-73.1	-88.2	-18.7	0	0	109.5	G380	Q378-G380 VanDerWaalsContact C-N 3.33Å; Q378-G380 PolarHBondContact O-N 2.99Å
379	P	34.1	Very low	54.2	Low	126 Å²	126	105.1 Å²	105.1	82%	0.818	57%	0.569	S	S	*	*			trans	-76.8	84.4	-179.9	31.3	-31.3	0	0	0	110.3
380	G	42	Very low	57.7	Low	50 Å²	50	101.3 Å²	101.3	52%	0.515	54%	0.539	S	S	.	.			trans	-72.9	169.5	160	0	0	0	0	0	111.3	Q378 Q382	Q378-G380 VanDerWaalsContact C-N 3.33Å; Q378-G380 PolarHBondContact O-N 2.99Å; G380-Q382 PolarHBondContact O-N 2.8Å
381	P	51.7	Low	61.1	Low	125 Å²	125	92.6 Å²	92.6	81%	0.812	50%	0.496	S	S	*	.			trans	-53.7	130.1	174	22.3	-31.4	0	0	0	110	K383	P381-K383 PolarHBondContact O-N 2.73Å; P381-K383 VanDerWaalsContact O-N 3.08Å
382	Q	61.6	Low	64.4	Low	162 Å²	162	84 Å²	84	76%	0.757	46%	0.456	S	S	*	.			trans	-60.2	114.7	-178	-75.2	-177.9	-24.7	0	0	109.8	G380 N569	G380-Q382 PolarHBondContact O-N 2.8Å; Q382-N569 WeakPolarHBondContact CB-ND2 3.39Å; Q382-N569 PolarHBondContact OE1-ND2 3.03Å
383	K	83.4	Confident	67.6	Low	101 Å²	101	79.8 Å²	79.8	44%	0.439	43%	0.426	S	S	.	.			trans	-75	149.2	177.3	-63.1	177.2	173.6	-178.3	0	110.2	P381 E614	P381-K383 PolarHBondContact O-N 2.73Å; P381-K383 VanDerWaalsContact O-N 3.08Å; K383-E614 WeakPolarHBondContact CD-OE2 3.43Å; K383-E614 IonicContact NZ-OE1 2.69Å; K383-E614 IonicContact NZ-OE2 3.72Å; K383-E614 PolarHBondContact NZ-OE2 2.87Å
384	R	91.2	Very high	71	Confident	33 Å²	33	73.7 Å²	73.7	13%	0.125	39%	0.391	C	S	.	.			trans	-83.3	134.8	171.8	-61.9	-164.4	-65.8	158.5	2.1	110.1	I561 N569 E614 E615 W622	R384-I561 PolarHBondContact NH1-O 3.09Å; R384-N569 CarbonylContact C-O 3.45Å; R384-N569 VanDerWaalsContact CA-O 3.24Å; R384-N569 WeakPolarHBondContact CA-O 3.32Å; R384-N569 HydrophobicContact CG-CB 4.45Å; R384-E614 WeakPolarHBondContact O-CA 3.24Å; R384-E615 HydrophobicContact CB-CB 4.28Å; R384-E615 IonicContact CZ-OE1 3.77Å; R384-E615 IonicContact CZ-OE2 3.99Å; R384-E615 IonicContact NE-OE2 2.83Å; R384-E615 PolarHBondContact NE-OE2 3.02Å; R384-E615 IonicContact NH2-OE1 3.57Å; R384-E615 PolarHBondContact NH2-OE1 2.92Å; R384-E615 IonicContact NH2-OE2 3.39Å; R384-E615 PolarHBondContact NH2-OE2 2.86Å; R384-E615 PolarHBondContact O-N 3.13Å; R384-W622 HydrophobicContact CB-CH2 4.1Å
385	C	95.4	Very high	74.2	Confident	21 Å²	21	63 Å²	63	14%	0.142	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.9	178.1	-62.9	0	0	0	0	110.7	F387 N569 N570 I571 C613	C385-F387 HydrophobicContact CB-CE1 4.01Å; C385-F387 HydrophobicContact CB-CE2 4.17Å; C385-F387 HydrophobicContact CB-CZ 3.71Å; C385-N569 PolarHBondContact N-O 3.27Å; C385-N570 WeakPolarHBondContact CB-OD1 3.26Å; C385-N570 WeakPolarHBondContact O-CA 3.5Å; C385-I571 PolarHBondContact O-N 3.08Å; C385-C613 WeakPolarHBondContact CA-O 3.37Å
386	L	98.1	Very high	76.9	Confident	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	115.6	168.9	177.7	71.2	0	0	0	107.9	V388 T557 I561 I571 I573 L587 C613 W622	L386-V388 HydrophobicContact CD2-CG2 4.19Å; L386-V388 HydrophobicContact CG-CG2 4.12Å; L386-T557 HydrophobicContact CD2-CG2 3.5Å; L386-T557 VanDerWaalsContact CD2-CG2 3.5Å; L386-I561 HydrophobicContact CD2-CD1 4.33Å; L386-I571 HydrophobicContact CD1-CB 3.98Å; L386-I571 HydrophobicContact CD1-CG2 3.98Å; L386-I573 HydrophobicContact CD1-CD1 3.8Å; L386-I573 HydrophobicContact CD1-CG1 4.06Å; L386-L587 HydrophobicContact CD2-CD2 3.84Å; L386-C613 HydrophobicContact CB-CB 4.36Å; L386-C613 PolarHBondContact N-O 2.86Å; L386-C613 PolarHBondContact O-N 2.89Å; L386-W622 HydrophobicContact CB-CE3 4.37Å; L386-W622 HydrophobicContact CB-CH2 4.33Å; L386-W622 HydrophobicContact CB-CZ3 3.64Å
387	F	98.6	Very high	79.8	Confident	5 Å²	5	55 Å²	55	2%	0.022	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	134.2	172.1	-56.3	-56.6	0	0	0	109.6	C385 T461 I463 N570 I571 L572 I573 F610 C611 S612 P628	C385-F387 HydrophobicContact CB-CE1 4.01Å; C385-F387 HydrophobicContact CB-CE2 4.17Å; C385-F387 HydrophobicContact CB-CZ 3.71Å; F387-T461 HydrophobicContact CE2-CG2 3.79Å; F387-T461 HydrophobicContact CZ-CG2 3.9Å; F387-I463 HydrophobicContact CD2-CD1 3.63Å; F387-I463 HydrophobicContact CE2-CD1 3.75Å; F387-N570 HydrophobicContact CE2-CB 4.06Å; F387-I571 PolarHBondContact N-O 2.82Å; F387-L572 HydrophobicContact CB-CD1 3.8Å; F387-I573 PolarHBondContact O-N 2.83Å; F387-F610 HydrophobicContact CB-CE1 3.81Å; F387-F610 HydrophobicContact CB-CE2 4.42Å; F387-F610 HydrophobicContact CB-CZ 3.55Å; F387-F610 AromaticContact CD1-CE1 3.57Å; F387-F610 HydrophobicContact CD1-CE1 3.57Å; F387-F610 AromaticContact CD1-CZ 3.94Å; F387-F610 HydrophobicContact CD1-CZ 3.94Å; F387-F610 HydrophobicContact CD2-CZ 4.48Å; F387-F610 HydrophobicContact CE1-CE1 4.39Å; F387-F610 AromaticContact CG-CE1 3.85Å; F387-F610 HydrophobicContact CG-CE1 3.85Å; F387-F610 AromaticContact CG-CZ 3.74Å; F387-F610 HydrophobicContact CG-CZ 3.74Å; F387-C611 WeakPolarHBondContact CA-O 3.4Å; F387-S612 VanDerWaalsContact CE1-OG 3.32Å; F387-S612 WeakPolarHBondContact CE1-OG 3.33Å; F387-P628 HydrophobicContact CE1-CG 3.95Å; F387-P628 HydrophobicContact CZ-CG 3.97Å
388	V	98.8	Very high	82.2	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	126.1	174.5	-170.6	0	0	0	0	108.5	L386 I573 L580 C583 T584 C611	L386-V388 HydrophobicContact CD2-CG2 4.19Å; L386-V388 HydrophobicContact CG-CG2 4.12Å; V388-I573 WeakPolarHBondContact CA-O 3.27Å; V388-I573 HydrophobicContact CG1-CB 4.27Å; V388-I573 HydrophobicContact CG1-CG2 4.01Å; V388-I573 HydrophobicContact CG2-CB 4.27Å; V388-L580 HydrophobicContact CG1-CD1 4.42Å; V388-L580 HydrophobicContact CG1-CG 4.38Å; V388-C583 HydrophobicContact CG2-CB 4.35Å; V388-T584 HydrophobicContact CG2-CG2 4.07Å; V388-C611 PolarHBondContact N-O 2.87Å; V388-C611 PolarHBondContact O-N 3.12Å
389	C	98.4	Very high	84.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.7	177.1	81.2	0	0	0	0	113.2	I573 A575 G609 F610	C389-I573 PolarHBondContact N-O 3.21Å; C389-A575 PolarHBondContact O-N 3.17Å; C389-G609 CarbonylContact C-O 3.59Å; C389-G609 WeakPolarHBondContact CA-O 3.32Å; C389-F610 HydrophobicContact CB-CB 4.37Å; C389-F610 HydrophobicContact CB-CD2 3.52Å; C389-F610 HydrophobicContact CB-CE2 4.15Å; C389-F610 HydrophobicContact CB-CG 4.18Å
390	R	98.8	Very high	87	Confident	44 Å²	44	40.9 Å²	40.9	17%	0.166	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	148	171.7	-172.5	-177	-174.4	-172.8	-3.2	110.2	A577 L580 I605 P606 L608 G609	R390-A577 HydrophobicContact CG-CB 4.31Å; R390-L580 HydrophobicContact CB-CD1 4.35Å; R390-I605 HydrophobicContact CB-CG2 4.34Å; R390-I605 PolarHBondContact NH1-O 2.82Å; R390-P606 WeakPolarHBondContact CD-O 3.37Å; R390-L608 WeakPolarHBondContact O-CA 3.47Å; R390-L608 PolarHBondContact O-N 3.46Å; R390-G609 PolarHBondContact N-O 3Å
391	H	98.8	Very high	88.9	Confident	3 Å²	3	47 Å²	47	1%	0.014	24%	0.241	C	C	.	.			trans	-55.8	162.3	167.7	66.7	69.5	0	0	0	113.3	R394 R473 T477 A575 H576 Y607 L608	H391-R394 WeakPolarHBondContact CE1-CD 3.34Å; H391-R394 WeakPolarHBondContact CE1-CG 3.37Å; H391-R473 HydrophobicContact CB-CB 4.3Å; H391-R473 HydrophobicContact CB-CG 4.14Å; H391-R473 PolarHBondContact CD2-NE 2.87Å; H391-R473 VanDerWaalsContact CD2-NE 3.29Å; H391-R473 PolarHBondContact NE2-NE 3.34Å; H391-R473 VanDerWaalsContact NE2-NE 3.16Å; H391-T477 WeakPolarHBondContact CA-OG1 3.21Å; H391-A575 PolarHBondContact CD2-O 3.16Å; H391-A575 PolarHBondContact N-O 3.46Å; H391-H576 AromaticContact CD2-ND1 3.89Å; H391-Y607 AromaticContact CE1-CE1 3.89Å; H391-Y607 WeakPolarHBondContact O-CD1 3.19Å; H391-L608 PolarHBondContact O-N 3.44Å
392	G	97.4	Very high	90.5	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.231	C	C	.	.			trans	-72.7	175.4	174.8	0	0	0	0	0	114.8	R394 T477 Y607	G392-R394 PolarHBondContact O-N 2.87Å; G392-T477 PolarHBondContact N-OG1 3.22Å; G392-Y607 WeakPolarHBondContact O-CD1 3.43Å
393	E	98.2	Very high	91.8	Very high	28 Å²	28	41.1 Å²	41.1	13%	0.131	20%	0.197	C	C	.	.			trans	-49.7	131	179.1	-177.8	-174.8	-100.5	0	0	112.3	V398 N420 I441 T442 F444 Y607	E393-V398 HydrophobicContact CG-CG2 3.48Å; E393-V398 VanDerWaalsContact CG-CG2 3.48Å; E393-N420 PolarHBondContact OE2-ND2 2.88Å; E393-I441 CarbonylContact O-C 3.58Å; E393-I441 WeakPolarHBondContact O-CA 3.09Å; E393-I441 VanDerWaalsContact O-CB 3.31Å; E393-I441 WeakPolarHBondContact O-CB 3.47Å; E393-T442 HydrophobicContact CG-CG2 4.07Å; E393-T442 PolarHBondContact O-N 3.26Å; E393-T442 WeakPolarHBondContact OE2-CB 3.48Å; E393-T442 WeakPolarHBondContact OE2-CG2 3.44Å; E393-T442 PolarHBondContact OE2-OG1 3.47Å; E393-F444 WeakPolarHBondContact OE2-CB 3.4Å; E393-Y607 HydrophobicContact CB-CD2 3.83Å; E393-Y607 HydrophobicContact CB-CE2 3.88Å; E393-Y607 HydrophobicContact CB-CG 4.3Å; E393-Y607 HydrophobicContact CG-CD2 4.26Å; E393-Y607 HydrophobicContact CG-CE2 3.84Å
394	R	97.3	Very high	92.2	Very high	48 Å²	48	37.5 Å²	37.5	18%	0.181	18%	0.182	C	C	.	.	B	Isolated β-bridge	trans	-99.6	145.6	-174.5	-48.7	-168.9	-59.9	-163.2	2.8	113	H391 G392 D396 V397 V398 Y607	H391-R394 WeakPolarHBondContact CE1-CD 3.34Å; H391-R394 WeakPolarHBondContact CE1-CG 3.37Å; G392-R394 PolarHBondContact O-N 2.87Å; R394-D396 WeakPolarHBondContact CB-OD1 3.41Å; R394-D396 IonicContact CZ-OD1 3.93Å; R394-D396 IonicContact CZ-OD2 3.32Å; R394-D396 IonicContact NE-OD1 2.7Å; R394-D396 PolarHBondContact NE-OD1 3.18Å; R394-D396 VanDerWaalsContact NE-OD1 3.16Å; R394-D396 IonicContact NE-OD2 2.96Å; R394-D396 IonicContact NH2-OD2 3.82Å; R394-D396 PolarHBondContact NH2-OD2 2.83Å; R394-D396 PolarHBondContact O-N 2.9Å; R394-V397 HydrophobicContact CB-CG2 4.25Å; R394-V397 PolarHBondContact O-N 2.98Å; R394-V398 PolarHBondContact O-N 2.91Å; R394-Y607 HydrophobicContact CG-CE1 4.2Å
395	M	95.4	Very high	92.2	Very high	2 Å²	2	40.1 Å²	40.1	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-43.7	179.1	-158.3	63.8	51.5	0	0	113.6	V397 V398 F399 W403 M421 P422 P440 I441 T442	M395-V397 VanDerWaalsContact C-N 3.29Å; M395-V397 PolarHBondContact O-N 3.32Å; M395-V398 PolarHBondContact O-N 3.15Å; M395-F399 HydrophobicContact CG-CD2 3.99Å; M395-F399 WeakPolarHBondContact O-CB 3.23Å; M395-F399 WeakPolarHBondContact O-CD2 3.23Å; M395-F399 PolarHBondContact O-N 3.06Å; M395-F399 HydrophobicContact SD-CD2 3.38Å; M395-F399 WeakPolarHBondContact SD-CD2 3.16Å; M395-F399 HydrophobicContact SD-CE2 3.33Å; M395-F399 WeakPolarHBondContact SD-CE2 3.36Å; M395-W403 HydrophobicContact CB-CD2 4.45Å; M395-W403 HydrophobicContact CB-CE3 4.13Å; M395-W403 HydrophobicContact CB-CZ3 4.17Å; M395-W403 HydrophobicContact CG-CD2 4.05Å; M395-W403 HydrophobicContact CG-CE3 3.37Å; M395-W403 HydrophobicContact CG-CH2 4.37Å; M395-W403 HydrophobicContact CG-CZ3 3.57Å; M395-M421 HydrophobicContact CE-CB 4.46Å; M395-M421 HydrophobicContact SD-CB 4.14Å; M395-M421 HydrophobicContact SD-CG 3.71Å; M395-P422 HydrophobicContact CE-CG 4.15Å; M395-P440 HydrophobicContact CB-CG 4Å; M395-P440 WeakPolarHBondContact CB-O 3.5Å; M395-P440 HydrophobicContact CE-CG 4.26Å; M395-P440 HydrophobicContact CG-CG 4.39Å; M395-P440 PolarHBondContact N-O 3.3Å; M395-I441 WeakPolarHBondContact CE-O 3.25Å; M395-T442 HydrophobicContact CE-CG2 3.86Å; M395-T442 HydrophobicContact SD-CG2 4.19Å
396	D	89.9	Confident	91.9	Very high	43 Å²	43	42.6 Å²	42.6	23%	0.23	22%	0.215	C	C	.	.	H	α-helix	trans	-66.9	-29.4	-176.8	61.6	-34.5	0	0	0	113.1	R394 G400 W403 A439	R394-D396 WeakPolarHBondContact CB-OD1 3.41Å; R394-D396 IonicContact CZ-OD1 3.93Å; R394-D396 IonicContact CZ-OD2 3.32Å; R394-D396 IonicContact NE-OD1 2.7Å; R394-D396 PolarHBondContact NE-OD1 3.18Å; R394-D396 VanDerWaalsContact NE-OD1 3.16Å; R394-D396 IonicContact NE-OD2 2.96Å; R394-D396 IonicContact NH2-OD2 3.82Å; R394-D396 PolarHBondContact NH2-OD2 2.83Å; R394-D396 PolarHBondContact O-N 2.9Å; D396-G400 CarbonylContact O-C 3.43Å; D396-G400 VanDerWaalsContact O-CA 3.26Å; D396-G400 WeakPolarHBondContact O-CA 3.49Å; D396-G400 PolarHBondContact O-N 3.12Å; D396-G400 VanDerWaalsContact O-N 3.14Å; D396-W403 HydrophobicContact CB-CG 4.49Å; D396-A439 HydrophobicContact CB-CB 3.83Å
397	V	84.9	Confident	91.7	Very high	77 Å²	77	42.6 Å²	42.6	47%	0.467	22%	0.215	S	C	.	.	H	α-helix	trans	-77.8	-46.4	177.9	177.9	0	0	0	0	110.8	R394 M395 Y607	R394-V397 HydrophobicContact CB-CG2 4.25Å; R394-V397 PolarHBondContact O-N 2.98Å; M395-V397 VanDerWaalsContact C-N 3.29Å; M395-V397 PolarHBondContact O-N 3.32Å; V397-Y607 WeakPolarHBondContact CB-OH 3.32Å; V397-Y607 WeakPolarHBondContact CG1-OH 3.47Å
398	V	82.2	Confident	91.5	Very high	61 Å²	61	43.4 Å²	43.4	37%	0.37	22%	0.218	S	C	.	.	H	α-helix	trans	-69.3	-43.2	-177.2	175.6	0	0	0	0	112.1	E393 R394 M395 T442	E393-V398 HydrophobicContact CG-CG2 3.48Å; E393-V398 VanDerWaalsContact CG-CG2 3.48Å; R394-V398 PolarHBondContact O-N 2.91Å; M395-V398 PolarHBondContact O-N 3.15Å; V398-T442 HydrophobicContact CB-CG2 4.46Å; V398-T442 HydrophobicContact CG2-CG2 4.07Å
399	F	84.4	Confident	91.1	Very high	25 Å²	25	45.1 Å²	45.1	11%	0.11	23%	0.228	C	C	.	.	S	Bend	trans	-100.3	2.7	-174.1	-62	-73.4	0	0	0	113.1	M395 W403 Q406 N418 N420 M421 T442	M395-F399 HydrophobicContact CG-CD2 3.99Å; M395-F399 WeakPolarHBondContact O-CB 3.23Å; M395-F399 WeakPolarHBondContact O-CD2 3.23Å; M395-F399 PolarHBondContact O-N 3.06Å; M395-F399 HydrophobicContact SD-CD2 3.38Å; M395-F399 WeakPolarHBondContact SD-CD2 3.16Å; M395-F399 HydrophobicContact SD-CE2 3.33Å; M395-F399 WeakPolarHBondContact SD-CE2 3.36Å; F399-W403 HydrophobicContact CB-CB 3.54Å; F399-Q406 PolarHBondContact O-NE2 3.14Å; F399-N418 HydrophobicContact CE1-CB 3.51Å; F399-N418 HydrophobicContact CZ-CB 3.7Å; F399-N420 HydrophobicContact CZ-CB 4.12Å; F399-M421 HydrophobicContact CD1-CE 3.68Å; F399-M421 HydrophobicContact CD2-CE 4Å; F399-M421 HydrophobicContact CD2-CG 4.32Å; F399-M421 HydrophobicContact CE1-CE 3.76Å; F399-M421 HydrophobicContact CE1-CG 4.37Å; F399-M421 HydrophobicContact CE2-CE 4.07Å; F399-M421 HydrophobicContact CE2-CG 3.64Å; F399-M421 HydrophobicContact CG-CE 3.81Å; F399-M421 HydrophobicContact CZ-CE 3.94Å; F399-M421 HydrophobicContact CZ-CG 3.65Å; F399-T442 HydrophobicContact CE2-CG2 4.49Å
400	G	80.6	Confident	90.7	Very high	30 Å²	30	50.7 Å²	50.7	31%	0.309	27%	0.274	S	S	.	.			trans	69.1	-167.8	173.3	0	0	0	0	0	114.9	D396 Y402 W403	D396-G400 CarbonylContact O-C 3.43Å; D396-G400 VanDerWaalsContact O-CA 3.26Å; D396-G400 WeakPolarHBondContact O-CA 3.49Å; D396-G400 PolarHBondContact O-N 3.12Å; D396-G400 VanDerWaalsContact O-N 3.14Å; G400-Y402 PolarHBondContact O-N 3.09Å; G400-W403 WeakPolarHBondContact O-CB 3.25Å; G400-W403 PolarHBondContact O-N 3.12Å; G400-W403 VanDerWaalsContact O-N 3.1Å
401	K	82.2	Confident	90.4	Very high	178 Å²	178	56.7 Å²	56.7	77%	0.774	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-33.1	-172.8	-174.7	179.1	178.8	-177.6	0	114.3
402	Y	84.1	Confident	90	Very high	157 Å²	157	57.7 Å²	57.7	62%	0.616	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.9	22.3	-175.3	-56.8	-73.9	0	0	0	113.1	G400 L404 S405 Q406	G400-Y402 PolarHBondContact O-N 3.09Å; Y402-L404 PolarHBondContact O-N 3.47Å; Y402-S405 PolarHBondContact O-N 3.32Å; Y402-S405 VanDerWaalsContact O-N 3.12Å; Y402-S405 PolarHBondContact O-OG 3Å; Y402-Q406 PolarHBondContact O-N 3.33Å
403	W	90.8	Very high	89.8	Confident	8 Å²	8	65.1 Å²	65.1	3%	0.03	34%	0.34	C	S	.	.	H	α-helix	trans	-56.9	-34.8	-177.3	76.1	-88.6	0	0	0	113.4	M395 D396 F399 G400 S405 Q406 C407 Y435 A439 P440	M395-W403 HydrophobicContact CB-CD2 4.45Å; M395-W403 HydrophobicContact CB-CE3 4.13Å; M395-W403 HydrophobicContact CB-CZ3 4.17Å; M395-W403 HydrophobicContact CG-CD2 4.05Å; M395-W403 HydrophobicContact CG-CE3 3.37Å; M395-W403 HydrophobicContact CG-CH2 4.37Å; M395-W403 HydrophobicContact CG-CZ3 3.57Å; D396-W403 HydrophobicContact CB-CG 4.49Å; F399-W403 HydrophobicContact CB-CB 3.54Å; G400-W403 WeakPolarHBondContact O-CB 3.25Å; G400-W403 PolarHBondContact O-N 3.12Å; G400-W403 VanDerWaalsContact O-N 3.1Å; W403-S405 VanDerWaalsContact C-N 3.35Å; W403-S405 PolarHBondContact O-N 3.45Å; W403-Q406 WeakPolarHBondContact O-CB 3.47Å; W403-Q406 PolarHBondContact O-N 3.13Å; W403-Q406 VanDerWaalsContact O-N 3.11Å; W403-C407 VanDerWaalsContact CE3-SG 3.55Å; W403-C407 VanDerWaalsContact CZ3-SG 3.56Å; W403-C407 PolarHBondContact O-N 3.06Å; W403-C407 PolarHBondContact O-SG 3.21Å; W403-C407 VanDerWaalsContact O-SG 3.41Å; W403-Y435 HydrophobicContact CH2-CD1 4.43Å; W403-Y435 HydrophobicContact CH2-CG 4.23Å; W403-Y435 WeakPolarHBondContact CZ2-O 3.43Å; W403-A439 HydrophobicContact CZ2-CB 3.9Å; W403-P440 HydrophobicContact CH2-CG 4.25Å; W403-P440 HydrophobicContact CZ3-CG 4.47Å
404	L	90.3	Very high	89.7	Confident	24 Å²	24	65.9 Å²	65.9	13%	0.126	34%	0.342	C	S	.	.	H	α-helix	trans	-60.9	-41.3	177.7	-71.1	177.9	0	0	0	112.3	Y402 Q406 C407 F408 E436	Y402-L404 PolarHBondContact O-N 3.47Å; L404-Q406 PolarHBondContact O-N 3.45Å; L404-C407 PolarHBondContact O-N 2.98Å; L404-F408 HydrophobicContact CB-CD2 4.47Å; L404-F408 HydrophobicContact CD2-CD2 3.91Å; L404-F408 HydrophobicContact CD2-CE2 3.68Å; L404-F408 WeakPolarHBondContact O-CD2 3.37Å; L404-F408 PolarHBondContact O-N 2.8Å; L404-E436 HydrophobicContact CD1-CB 3.8Å; L404-E436 HydrophobicContact CD1-CG 4.23Å
405	S	91.3	Very high	89.6	Confident	89 Å²	89	67.3 Å²	67.3	62%	0.622	35%	0.353	S	S	*	.	H	α-helix	trans	-72.2	-18.7	178.9	63.2	0	0	0	0	112.6	Y402 W403	Y402-S405 PolarHBondContact O-N 3.32Å; Y402-S405 VanDerWaalsContact O-N 3.12Å; Y402-S405 PolarHBondContact O-OG 3Å; W403-S405 VanDerWaalsContact C-N 3.35Å; W403-S405 PolarHBondContact O-N 3.45Å
406	Q	89.9	Confident	89.6	Confident	73 Å²	73	71.4 Å²	71.4	34%	0.341	37%	0.368	S	S	.	.	H	α-helix	trans	-79.5	-23.1	173.9	-62.5	172.1	49.3	0	0	112.3	F399 Y402 W403 L404 S417 M421	F399-Q406 PolarHBondContact O-NE2 3.14Å; Y402-Q406 PolarHBondContact O-N 3.33Å; W403-Q406 WeakPolarHBondContact O-CB 3.47Å; W403-Q406 PolarHBondContact O-N 3.13Å; W403-Q406 VanDerWaalsContact O-N 3.11Å; L404-Q406 PolarHBondContact O-N 3.45Å; Q406-S417 WeakPolarHBondContact O-CB 3.41Å; Q406-S417 PolarHBondContact O-OG 2.94Å; Q406-M421 HydrophobicContact CB-CE 4.04Å
407	C	93.4	Very high	89.7	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-123.4	7.3	-172.8	75.6	0	0	0	0	115.5	W403 L404 Y414 I415 M421	W403-C407 VanDerWaalsContact CE3-SG 3.55Å; W403-C407 VanDerWaalsContact CZ3-SG 3.56Å; W403-C407 PolarHBondContact O-N 3.06Å; W403-C407 PolarHBondContact O-SG 3.21Å; W403-C407 VanDerWaalsContact O-SG 3.41Å; L404-C407 PolarHBondContact O-N 2.98Å; C407-Y414 HydrophobicContact CB-CD2 4.17Å; C407-Y414 HydrophobicContact CB-CE2 3.7Å; C407-Y414 CarbonylContact O-C 3.56Å; C407-Y414 WeakPolarHBondContact O-CA 3.46Å; C407-Y414 WeakPolarHBondContact O-CD2 3.16Å; C407-I415 CarbonylContact C-O 3.57Å; C407-I415 WeakPolarHBondContact CA-O 3.4Å; C407-I415 WeakPolarHBondContact CB-O 3.25Å; C407-I415 PolarHBondContact O-N 3.1Å; C407-M421 HydrophobicContact CB-CE 4.23Å; C407-M421 HydrophobicContact CB-SD 3.78Å
408	F	94.4	Very high	90.2	Very high	21 Å²	21	72.3 Å²	72.3	9%	0.092	38%	0.376	C	S	.	.	B	Isolated β-bridge	trans	-130.6	131	172.4	-70.2	-80.7	0	0	0	111.1	L404 G412 R413 Y414 L425 F432 Y435	L404-F408 HydrophobicContact CB-CD2 4.47Å; L404-F408 HydrophobicContact CD2-CD2 3.91Å; L404-F408 HydrophobicContact CD2-CE2 3.68Å; L404-F408 WeakPolarHBondContact O-CD2 3.37Å; L404-F408 PolarHBondContact O-N 2.8Å; F408-G412 WeakPolarHBondContact CD1-O 3.33Å; F408-R413 WeakPolarHBondContact CA-O 3.44Å; F408-Y414 HydrophobicContact CE1-CD2 4.02Å; F408-Y414 HydrophobicContact CE1-CG 4.44Å; F408-Y414 HydrophobicContact CE2-CD2 4.33Å; F408-Y414 AromaticContact CZ-CD2 3.9Å; F408-Y414 HydrophobicContact CZ-CD2 3.9Å; F408-L425 HydrophobicContact CE2-CD1 4.37Å; F408-L425 HydrophobicContact CZ-CD1 3.88Å; F408-F432 HydrophobicContact CB-CD2 4.07Å; F408-F432 HydrophobicContact CB-CE2 4.45Å; F408-F432 HydrophobicContact CB-CG 4.26Å; F408-F432 HydrophobicContact CD1-CB 3.37Å; F408-F432 HydrophobicContact CD1-CD2 4.36Å; F408-F432 AromaticContact CD1-CG 3.89Å; F408-F432 HydrophobicContact CD1-CG 3.89Å; F408-F432 HydrophobicContact CD2-CB 3.85Å; F408-F432 AromaticContact CD2-CD2 3.82Å; F408-F432 HydrophobicContact CD2-CD2 3.82Å; F408-F432 HydrophobicContact CD2-CG 4.13Å; F408-F432 HydrophobicContact CE1-CB 3.27Å; F408-F432 HydrophobicContact CE1-CG 4.27Å; F408-F432 HydrophobicContact CE2-CB 3.76Å; F408-F432 HydrophobicContact CE2-CD2 4.38Å; F408-F432 HydrophobicContact CE2-CG 4.5Å; F408-F432 HydrophobicContact CG-CB 3.67Å; F408-F432 AromaticContact CG-CD2 3.81Å; F408-F432 HydrophobicContact CG-CD2 3.81Å; F408-F432 AromaticContact CG-CG 3.82Å; F408-F432 HydrophobicContact CG-CG 3.82Å; F408-F432 HydrophobicContact CZ-CB 3.47Å; F408-F432 VanDerWaalsContact CZ-CB 3.47Å; F408-Y435 HydrophobicContact CE2-CD2 4.47Å; F408-Y435 HydrophobicContact CZ-CD2 4.01Å; F408-Y435 HydrophobicContact CZ-CE2 4.27Å
409	D	91.4	Very high	90.9	Very high	37 Å²	37	75.9 Å²	75.9	20%	0.198	39%	0.392	C	S	.	.			trans	-74.2	173.2	175.3	77.3	7.1	0	0	0	112	K411 G412 R413 I415	D409-K411 PolarHBondContact O-N 3.49Å; D409-K411 VanDerWaalsContact OD1-CA 3.29Å; D409-K411 WeakPolarHBondContact OD1-CA 3.49Å; D409-K411 WeakPolarHBondContact OD1-CB 3.27Å; D409-K411 PolarHBondContact OD1-N 3Å; D409-G412 PolarHBondContact O-N 3.33Å; D409-G412 PolarHBondContact OD1-N 3.35Å; D409-G412 VanDerWaalsContact OD1-N 3.13Å; D409-R413 PolarHBondContact N-O 2.88Å; D409-R413 WeakPolarHBondContact OD1-CB 3.18Å; D409-R413 PolarHBondContact OD1-N 2.92Å; D409-R413 IonicContact OD1-NE 3.86Å; D409-R413 IonicContact OD2-CZ 3.14Å; D409-R413 IonicContact OD2-NE 3.99Å; D409-R413 PolarHBondContact OD2-NE 3.04Å; D409-R413 IonicContact OD2-NH2 2.72Å; D409-R413 PolarHBondContact OD2-NH2 2.95Å; D409-I415 HydrophobicContact CB-CD1 4.48Å; D409-I415 HydrophobicContact CB-CG2 4.37Å
410	A	89.6	Confident	91.5	Very high	117 Å²	117	75.6 Å²	75.6	97%	0.967	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-14.4	178.8	0	0	0	0	0	114.2
411	K	91	Very high	92.3	Very high	170 Å²	170	74.1 Å²	74.1	74%	0.739	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.6	5.4	175.1	-59.3	-177.6	179.5	-177.8	0	112.1	D409 R413	D409-K411 PolarHBondContact O-N 3.49Å; D409-K411 VanDerWaalsContact OD1-CA 3.29Å; D409-K411 WeakPolarHBondContact OD1-CA 3.49Å; D409-K411 WeakPolarHBondContact OD1-CB 3.27Å; D409-K411 PolarHBondContact OD1-N 3Å; K411-R413 VanDerWaalsContact C-N 3.29Å; K411-R413 HydrophobicContact CB-CG 4.31Å; K411-R413 PolarHBondContact O-N 2.98Å
412	G	90.3	Very high	93	Very high	24 Å²	24	66.5 Å²	66.5	25%	0.247	35%	0.345	C	S	.	.	S	Bend	trans	73	17.5	-177.6	0	0	0	0	0	113.9	F408 D409	F408-G412 WeakPolarHBondContact CD1-O 3.33Å; D409-G412 PolarHBondContact O-N 3.33Å; D409-G412 PolarHBondContact OD1-N 3.35Å; D409-G412 VanDerWaalsContact OD1-N 3.13Å
413	R	93.4	Very high	93.5	Very high	155 Å²	155	66.1 Å²	66.1	59%	0.585	35%	0.349	S	S	*	.			trans	-87.5	137.4	176.8	-57.6	-176.7	-60.5	168.9	6.7	110.1	F408 D409 K411 I415	F408-R413 WeakPolarHBondContact CA-O 3.44Å; D409-R413 PolarHBondContact N-O 2.88Å; D409-R413 WeakPolarHBondContact OD1-CB 3.18Å; D409-R413 PolarHBondContact OD1-N 2.92Å; D409-R413 IonicContact OD1-NE 3.86Å; D409-R413 IonicContact OD2-CZ 3.14Å; D409-R413 IonicContact OD2-NE 3.99Å; D409-R413 PolarHBondContact OD2-NE 3.04Å; D409-R413 IonicContact OD2-NH2 2.72Å; D409-R413 PolarHBondContact OD2-NH2 2.95Å; K411-R413 VanDerWaalsContact C-N 3.29Å; K411-R413 HydrophobicContact CB-CG 4.31Å; K411-R413 PolarHBondContact O-N 2.98Å; R413-I415 PolarHBondContact O-N 3.47Å
414	Y	96.9	Very high	93.7	Very high	45 Å²	45	69.9 Å²	69.9	18%	0.176	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-65.3	131.2	178.8	-178	-108.6	0	0	0	111.4	C407 F408 M421 P422 L425	C407-Y414 HydrophobicContact CB-CD2 4.17Å; C407-Y414 HydrophobicContact CB-CE2 3.7Å; C407-Y414 CarbonylContact O-C 3.56Å; C407-Y414 WeakPolarHBondContact O-CA 3.46Å; C407-Y414 WeakPolarHBondContact O-CD2 3.16Å; F408-Y414 HydrophobicContact CE1-CD2 4.02Å; F408-Y414 HydrophobicContact CE1-CG 4.44Å; F408-Y414 HydrophobicContact CE2-CD2 4.33Å; F408-Y414 AromaticContact CZ-CD2 3.9Å; F408-Y414 HydrophobicContact CZ-CD2 3.9Å; Y414-M421 WeakPolarHBondContact OH-CB 3.19Å; Y414-P422 VanDerWaalsContact CE1-O 3.32Å; Y414-P422 WeakPolarHBondContact CE1-O 3.41Å; Y414-P422 WeakPolarHBondContact OH-CD 3.35Å; Y414-P422 PolarHBondContact OH-O 2.75Å; Y414-L425 HydrophobicContact CD1-CG 4.49Å; Y414-L425 HydrophobicContact CD2-CB 4.44Å; Y414-L425 HydrophobicContact CD2-CD1 3.49Å; Y414-L425 VanDerWaalsContact CD2-CD1 3.49Å; Y414-L425 HydrophobicContact CD2-CG 3.87Å; Y414-L425 HydrophobicContact CE1-CG 4.34Å; Y414-L425 HydrophobicContact CE2-CD1 3.4Å; Y414-L425 HydrophobicContact CE2-CG 3.7Å; Y414-L425 HydrophobicContact CG-CB 4.46Å; Y414-L425 HydrophobicContact CG-CD1 4.3Å; Y414-L425 HydrophobicContact CG-CG 4.25Å
415	I	95.6	Very high	93.9	Very high	78 Å²	78	69.7 Å²	69.7	40%	0.4	38%	0.376	S	S	.	.			trans	-129.1	135.3	173.7	57.8	171.5	0	0	0	109.3	C407 D409 R413	C407-I415 CarbonylContact C-O 3.57Å; C407-I415 WeakPolarHBondContact CA-O 3.4Å; C407-I415 WeakPolarHBondContact CB-O 3.25Å; C407-I415 PolarHBondContact O-N 3.1Å; D409-I415 HydrophobicContact CB-CD1 4.48Å; D409-I415 HydrophobicContact CB-CG2 4.37Å; R413-I415 PolarHBondContact O-N 3.47Å
416	R	94.9	Very high	94.1	Very high	87 Å²	87	66.8 Å²	66.8	33%	0.328	36%	0.355	S	S	.	.			trans	-90.1	108.7	175.2	178	176.3	-176.1	-155.3	8.8	109	N418 L419 M421 H423	R416-N418 VanDerWaalsContact CG-O 3.27Å; R416-N418 WeakPolarHBondContact CG-O 3.44Å; R416-N418 PolarHBondContact NE-O 2.81Å; R416-L419 VanDerWaalsContact NH2-CA 3.35Å; R416-L419 PolarHBondContact NH2-O 2.81Å; R416-M421 WeakPolarHBondContact CD-O 3.26Å; R416-M421 HydrophobicContact CG-CB 4.13Å; R416-M421 PolarHBondContact NE-O 2.98Å; R416-H423 PolarHBondContact NH1-CD2 2.88Å; R416-H423 PolarHBondContact NH1-NE2 3.47Å
417	S	91.3	Very high	94.1	Very high	72 Å²	72	71.2 Å²	71.2	50%	0.503	38%	0.376	S	S	.	.			trans	-100.6	-12.8	178.3	54.3	0	0	0	0	113.8	Q406 M421	Q406-S417 WeakPolarHBondContact O-CB 3.41Å; Q406-S417 PolarHBondContact O-OG 2.94Å; S417-M421 VanDerWaalsContact OG-CE 3.32Å; S417-M421 WeakPolarHBondContact OG-CE 3.34Å; S417-M421 PolarHBondContact OG-SD 3.4Å; S417-M421 VanDerWaalsContact OG-SD 3.4Å
418	N	96.1	Very high	94.1	Very high	68 Å²	68	72 Å²	72	36%	0.364	38%	0.379	S	S	.	.	S	Bend	trans	-136.3	147.1	174.1	-175.2	-70.4	0	0	0	110.6	F399 R416 N420 M421	F399-N418 HydrophobicContact CE1-CB 3.51Å; F399-N418 HydrophobicContact CZ-CB 3.7Å; R416-N418 VanDerWaalsContact CG-O 3.27Å; R416-N418 WeakPolarHBondContact CG-O 3.44Å; R416-N418 PolarHBondContact NE-O 2.81Å; N418-N420 PolarHBondContact O-N 2.97Å; N418-N420 WeakPolarHBondContact OD1-CB 3.43Å; N418-N420 PolarHBondContact OD1-N 3.12Å; N418-M421 HydrophobicContact CB-CE 4.27Å; N418-M421 HydrophobicContact CB-CG 4.14Å; N418-M421 HydrophobicContact CB-SD 4.38Å; N418-M421 WeakPolarHBondContact O-CB 3.37Å; N418-M421 PolarHBondContact O-N 2.96Å
419	L	96.2	Very high	93.8	Very high	135 Å²	135	76.1 Å²	76.1	71%	0.707	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-22.7	-178.6	-65.3	-178.5	0	0	0	113.5	R416 M421 V443	R416-L419 VanDerWaalsContact NH2-CA 3.35Å; R416-L419 PolarHBondContact NH2-O 2.81Å; L419-M421 PolarHBondContact O-N 2.84Å; L419-V443 WeakPolarHBondContact O-CG2 3.2Å
420	N	97.1	Very high	93.7	Very high	19 Å²	19	76.5 Å²	76.5	10%	0.102	42%	0.422	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-8.4	173.2	-163	18.2	0	0	0	112.8	E393 F399 N418 T442 V443 F444	E393-N420 PolarHBondContact OE2-ND2 2.88Å; F399-N420 HydrophobicContact CZ-CB 4.12Å; N418-N420 PolarHBondContact O-N 2.97Å; N418-N420 WeakPolarHBondContact OD1-CB 3.43Å; N418-N420 PolarHBondContact OD1-N 3.12Å; N420-T442 CarbonylContact O-C 3.55Å; N420-T442 WeakPolarHBondContact O-CA 3.41Å; N420-T442 VanDerWaalsContact O-CB 3.3Å; N420-T442 WeakPolarHBondContact O-CB 3.35Å; N420-T442 VanDerWaalsContact OD1-CB 3.23Å; N420-T442 WeakPolarHBondContact OD1-CB 3.41Å; N420-T442 PolarHBondContact OD1-OG1 2.87Å; N420-V443 PolarHBondContact O-N 3.16Å; N420-V443 PolarHBondContact OD1-N 3.42Å; N420-F444 HydrophobicContact CB-CD2 4.4Å; N420-F444 WeakPolarHBondContact OD1-CB 3.42Å; N420-F444 VanDerWaalsContact OD1-CD2 3.24Å; N420-F444 WeakPolarHBondContact OD1-CD2 3.35Å; N420-F444 PolarHBondContact OD1-N 2.83Å
421	M	98	Very high	93.8	Very high	0 Å²	0	72.3 Å²	72.3	0%	0	39%	0.39	C	S	.	.	S	Bend	trans	-81.4	143.2	169.7	-54.2	178.2	173.5	0	0	110.7	M395 F399 Q406 C407 Y414 R416 S417 N418 L419 V443	M395-M421 HydrophobicContact CE-CB 4.46Å; M395-M421 HydrophobicContact SD-CB 4.14Å; M395-M421 HydrophobicContact SD-CG 3.71Å; F399-M421 HydrophobicContact CD1-CE 3.68Å; F399-M421 HydrophobicContact CD2-CE 4Å; F399-M421 HydrophobicContact CD2-CG 4.32Å; F399-M421 HydrophobicContact CE1-CE 3.76Å; F399-M421 HydrophobicContact CE1-CG 4.37Å; F399-M421 HydrophobicContact CE2-CE 4.07Å; F399-M421 HydrophobicContact CE2-CG 3.64Å; F399-M421 HydrophobicContact CG-CE 3.81Å; F399-M421 HydrophobicContact CZ-CE 3.94Å; F399-M421 HydrophobicContact CZ-CG 3.65Å; Q406-M421 HydrophobicContact CB-CE 4.04Å; C407-M421 HydrophobicContact CB-CE 4.23Å; C407-M421 HydrophobicContact CB-SD 3.78Å; Y414-M421 WeakPolarHBondContact OH-CB 3.19Å; R416-M421 WeakPolarHBondContact CD-O 3.26Å; R416-M421 HydrophobicContact CG-CB 4.13Å; R416-M421 PolarHBondContact NE-O 2.98Å; S417-M421 VanDerWaalsContact OG-CE 3.32Å; S417-M421 WeakPolarHBondContact OG-CE 3.34Å; S417-M421 PolarHBondContact OG-SD 3.4Å; S417-M421 VanDerWaalsContact OG-SD 3.4Å; N418-M421 HydrophobicContact CB-CE 4.27Å; N418-M421 HydrophobicContact CB-CG 4.14Å; N418-M421 HydrophobicContact CB-SD 4.38Å; N418-M421 WeakPolarHBondContact O-CB 3.37Å; N418-M421 PolarHBondContact O-N 2.96Å; L419-M421 PolarHBondContact O-N 2.84Å; M421-V443 WeakPolarHBondContact O-CG2 3.44Å
422	P	96.9	Very high	93.9	Very high	17 Å²	17	67.6 Å²	67.6	11%	0.11	37%	0.37	C	S	.	.			trans	-63.7	164	-179.3	27.3	-36.2	0	0	0	112.2	M395 Y414 S424 L425	M395-P422 HydrophobicContact CE-CG 4.15Å; Y414-P422 VanDerWaalsContact CE1-O 3.32Å; Y414-P422 WeakPolarHBondContact CE1-O 3.41Å; Y414-P422 WeakPolarHBondContact OH-CD 3.35Å; Y414-P422 PolarHBondContact OH-O 2.75Å; P422-S424 VanDerWaalsContact C-N 3.28Å; P422-S424 PolarHBondContact O-N 2.88Å; P422-L425 HydrophobicContact CG-CD2 3.6Å; P422-L425 HydrophobicContact CG-CG 4.33Å
423	H	95	Very high	94	Very high	149 Å²	149	74.6 Å²	74.6	69%	0.69	39%	0.389	S	S	*	.	S	Bend	trans	-70.4	-26.3	178	-68.8	87.6	0	0	0	112.9	R416	R416-H423 PolarHBondContact NH1-CD2 2.88Å; R416-H423 PolarHBondContact NH1-NE2 3.47Å
424	S	95.1	Very high	94.1	Very high	88 Å²	88	69.1 Å²	69.1	62%	0.615	37%	0.371	S	S	*	.			trans	-154.9	154.7	-178.7	58.4	0	0	0	0	110.5	P422	P422-S424 VanDerWaalsContact C-N 3.28Å; P422-S424 PolarHBondContact O-N 2.88Å
425	L	94.9	Very high	94	Very high	19 Å²	19	67.1 Å²	67.1	10%	0.099	36%	0.364	C	S	.	.			trans	-119	146.5	170	-69.2	-176.8	0	0	0	110.5	F408 Y414 P422 Y435 P440	F408-L425 HydrophobicContact CE2-CD1 4.37Å; F408-L425 HydrophobicContact CZ-CD1 3.88Å; Y414-L425 HydrophobicContact CD1-CG 4.49Å; Y414-L425 HydrophobicContact CD2-CB 4.44Å; Y414-L425 HydrophobicContact CD2-CD1 3.49Å; Y414-L425 VanDerWaalsContact CD2-CD1 3.49Å; Y414-L425 HydrophobicContact CD2-CG 3.87Å; Y414-L425 HydrophobicContact CE1-CG 4.34Å; Y414-L425 HydrophobicContact CE2-CD1 3.4Å; Y414-L425 HydrophobicContact CE2-CG 3.7Å; Y414-L425 HydrophobicContact CG-CB 4.46Å; Y414-L425 HydrophobicContact CG-CD1 4.3Å; Y414-L425 HydrophobicContact CG-CG 4.25Å; P422-L425 HydrophobicContact CG-CD2 3.6Å; P422-L425 HydrophobicContact CG-CG 4.33Å; L425-Y435 HydrophobicContact CB-CE2 4.38Å; L425-Y435 HydrophobicContact CD1-CE1 4.25Å; L425-Y435 HydrophobicContact CD1-CE2 4.3Å; L425-P440 HydrophobicContact CD1-CG 4.32Å; L425-P440 HydrophobicContact CD2-CB 3.79Å; L425-P440 HydrophobicContact CD2-CG 3.66Å
426	P	94.2	Very high	93.9	Very high	28 Å²	28	69.2 Å²	69.2	18%	0.182	37%	0.372	C	S	.	.			trans	-53.3	143.3	171.4	-25.7	33.4	0	0	0	112.3	Y435 I515 A523	P426-Y435 VanDerWaalsContact CD-OH 3.27Å; P426-Y435 WeakPolarHBondContact CD-OH 3.27Å; P426-Y435 PolarHBondContact O-OH 2.69Å; P426-I515 HydrophobicContact CB-CD1 4.04Å; P426-I515 HydrophobicContact CG-CD1 4.43Å; P426-A523 HydrophobicContact CB-CB 4.22Å; P426-A523 HydrophobicContact CG-CB 4.11Å
427	Q	90.2	Very high	93.8	Very high	167 Å²	167	68.8 Å²	68.8	78%	0.78	37%	0.372	S	S	*	.			trans	-71.5	141	167.3	-66.7	-62.6	-28.9	0	0	108.8
428	R	93.8	Very high	94	Very high	17 Å²	17	65.4 Å²	65.4	6%	0.064	35%	0.348	C	S	.	.			trans	-123.9	149.1	-179.1	-61.7	-174.5	77.4	140.1	8.9	110.4	G430 G431 D434 Y435 D438 A513 I515	R428-G430 VanDerWaalsContact C-N 3.35Å; R428-G430 PolarHBondContact O-N 2.85Å; R428-G431 WeakPolarHBondContact O-CA 3.34Å; R428-G431 PolarHBondContact O-N 2.73Å; R428-D434 HydrophobicContact CB-CB 4.3Å; R428-Y435 HydrophobicContact CG-CE2 3.91Å; R428-D438 IonicContact CZ-OD2 2.86Å; R428-D438 PolarHBondContact NH1-O 2.8Å; R428-D438 IonicContact NH1-OD2 3.95Å; R428-D438 PolarHBondContact NH1-OD2 2.7Å; R428-D438 IonicContact NH2-OD2 2.89Å; R428-D438 PolarHBondContact NH2-OD2 3.43Å; R428-A513 PolarHBondContact NH2-O 3.49Å; R428-I515 HydrophobicContact CG-CD1 3.92Å; R428-I515 HydrophobicContact CG-CG1 4.18Å
429	S	88.1	Confident	94.1	Very high	106 Å²	106	62.2 Å²	62.2	74%	0.741	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	-40.6	-179.1	-71.9	0	0	0	0	113.6	G431	S429-G431 VanDerWaalsContact C-N 3.27Å; S429-G431 PolarHBondContact O-N 3.38Å
430	G	88.1	Confident	94.2	Very high	45 Å²	45	55.8 Å²	55.8	46%	0.464	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	13.1	174.1	0	0	0	0	0	114.4	R428 D434	R428-G430 VanDerWaalsContact C-N 3.35Å; R428-G430 PolarHBondContact O-N 2.85Å; G430-D434 WeakPolarHBondContact CA-OD2 3.24Å; G430-D434 PolarHBondContact N-OD2 3.24Å
431	G	92.5	Very high	94.3	Very high	29 Å²	29	55 Å²	55	30%	0.299	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	67.9	-156.4	-176.9	0	0	0	0	0	112.9	R428 S429 R433 D434	R428-G431 WeakPolarHBondContact O-CA 3.34Å; R428-G431 PolarHBondContact O-N 2.73Å; S429-G431 VanDerWaalsContact C-N 3.27Å; S429-G431 PolarHBondContact O-N 3.38Å; G431-R433 PolarHBondContact O-N 2.98Å; G431-D434 PolarHBondContact O-N 2.91Å
432	F	93.1	Very high	94.3	Very high	72 Å²	72	55 Å²	55	32%	0.316	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-67.6	-19.3	-173.1	74.8	-87.8	0	0	0	114.5	F408 D434 Y435	F408-F432 HydrophobicContact CB-CD2 4.07Å; F408-F432 HydrophobicContact CB-CE2 4.45Å; F408-F432 HydrophobicContact CB-CG 4.26Å; F408-F432 HydrophobicContact CD1-CB 3.37Å; F408-F432 HydrophobicContact CD1-CD2 4.36Å; F408-F432 AromaticContact CD1-CG 3.89Å; F408-F432 HydrophobicContact CD1-CG 3.89Å; F408-F432 HydrophobicContact CD2-CB 3.85Å; F408-F432 AromaticContact CD2-CD2 3.82Å; F408-F432 HydrophobicContact CD2-CD2 3.82Å; F408-F432 HydrophobicContact CD2-CG 4.13Å; F408-F432 HydrophobicContact CE1-CB 3.27Å; F408-F432 HydrophobicContact CE1-CG 4.27Å; F408-F432 HydrophobicContact CE2-CB 3.76Å; F408-F432 HydrophobicContact CE2-CD2 4.38Å; F408-F432 HydrophobicContact CE2-CG 4.5Å; F408-F432 HydrophobicContact CG-CB 3.67Å; F408-F432 AromaticContact CG-CD2 3.81Å; F408-F432 HydrophobicContact CG-CD2 3.81Å; F408-F432 AromaticContact CG-CG 3.82Å; F408-F432 HydrophobicContact CG-CG 3.82Å; F408-F432 HydrophobicContact CZ-CB 3.47Å; F408-F432 VanDerWaalsContact CZ-CB 3.47Å; F432-D434 VanDerWaalsContact C-N 3.3Å; F432-D434 PolarHBondContact O-N 2.93Å; F432-Y435 WeakPolarHBondContact O-CB 3.49Å; F432-Y435 WeakPolarHBondContact O-CD2 3.32Å; F432-Y435 PolarHBondContact O-N 3.03Å
433	R	93.1	Very high	94.4	Very high	171 Å²	171	56 Å²	56	65%	0.645	30%	0.299	S	S	*	.	G	3₁₀ helix	trans	-71.3	-25.3	-177.9	-60.6	-172.2	77.7	-178.6	4.9	112.7	G431 Y435 E436	G431-R433 PolarHBondContact O-N 2.98Å; R433-Y435 PolarHBondContact O-N 3.49Å; R433-Y435 VanDerWaalsContact O-N 3.15Å; R433-E436 WeakPolarHBondContact O-CB 3.4Å; R433-E436 PolarHBondContact O-N 3.17Å
434	D	94.9	Very high	94.5	Very high	39 Å²	39	52.8 Å²	52.8	21%	0.209	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-61.8	-23	175.6	-74	-7.5	0	0	0	112.4	R428 G430 G431 F432 E436	R428-D434 HydrophobicContact CB-CB 4.3Å; G430-D434 WeakPolarHBondContact CA-OD2 3.24Å; G430-D434 PolarHBondContact N-OD2 3.24Å; G431-D434 PolarHBondContact O-N 2.91Å; F432-D434 VanDerWaalsContact C-N 3.3Å; F432-D434 PolarHBondContact O-N 2.93Å; D434-E436 VanDerWaalsContact C-N 3.25Å; D434-E436 PolarHBondContact O-N 3.05Å
435	Y	95.8	Very high	94.7	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.016	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-68.8	-20.7	174.3	-74.8	-73.3	0	0	0	113.8	W403 F408 L425 P426 R428 F432 R433 K437 D438 A439 L472	W403-Y435 HydrophobicContact CH2-CD1 4.43Å; W403-Y435 HydrophobicContact CH2-CG 4.23Å; W403-Y435 WeakPolarHBondContact CZ2-O 3.43Å; F408-Y435 HydrophobicContact CE2-CD2 4.47Å; F408-Y435 HydrophobicContact CZ-CD2 4.01Å; F408-Y435 HydrophobicContact CZ-CE2 4.27Å; L425-Y435 HydrophobicContact CB-CE2 4.38Å; L425-Y435 HydrophobicContact CD1-CE1 4.25Å; L425-Y435 HydrophobicContact CD1-CE2 4.3Å; P426-Y435 VanDerWaalsContact CD-OH 3.27Å; P426-Y435 WeakPolarHBondContact CD-OH 3.27Å; P426-Y435 PolarHBondContact O-OH 2.69Å; R428-Y435 HydrophobicContact CG-CE2 3.91Å; F432-Y435 WeakPolarHBondContact O-CB 3.49Å; F432-Y435 WeakPolarHBondContact O-CD2 3.32Å; F432-Y435 PolarHBondContact O-N 3.03Å; R433-Y435 PolarHBondContact O-N 3.49Å; R433-Y435 VanDerWaalsContact O-N 3.15Å; Y435-K437 PolarHBondContact O-N 3.14Å; Y435-D438 CarbonylContact O-C 3.31Å; Y435-D438 VanDerWaalsContact O-C 3.31Å; Y435-D438 PolarHBondContact O-N 2.77Å; Y435-D438 VanDerWaalsContact O-N 3.09Å; Y435-A439 PolarHBondContact O-N 2.81Å; Y435-A439 VanDerWaalsContact O-N 3.17Å; Y435-L472 HydrophobicContact CD1-CD2 4.11Å; Y435-L472 HydrophobicContact CE1-CD2 3.44Å; Y435-L472 VanDerWaalsContact CE1-CD2 3.44Å
436	E	92.8	Very high	94.8	Very high	122 Å²	122	48.9 Å²	48.9	57%	0.57	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-55.7	-38.7	-177.8	-170.5	173.5	-168.8	0	0	112.3	L404 R433 D434	L404-E436 HydrophobicContact CD1-CB 3.8Å; L404-E436 HydrophobicContact CD1-CG 4.23Å; R433-E436 WeakPolarHBondContact O-CB 3.4Å; R433-E436 PolarHBondContact O-N 3.17Å; D434-E436 VanDerWaalsContact C-N 3.25Å; D434-E436 PolarHBondContact O-N 3.05Å
437	K	92.3	Very high	95	Very high	77 Å²	77	51.3 Å²	51.3	34%	0.335	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-103	-0.1	178.6	-60.4	-170	-175	-171.7	0	113.9	Y435 A507 T510 P512	Y435-K437 PolarHBondContact O-N 3.14Å; K437-A507 WeakPolarHBondContact CE-O 3.36Å; K437-A507 PolarHBondContact NZ-O 3.16Å; K437-T510 PolarHBondContact NZ-O 3.29Å; K437-T510 PolarHBondContact NZ-OG1 3.26Å; K437-P512 HydrophobicContact CB-CB 4.01Å; K437-P512 HydrophobicContact CB-CG 4.24Å; K437-P512 WeakPolarHBondContact O-CG 3.17Å
438	D	96.9	Very high	95.4	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	23%	0.232	C	C	.	.	S	Bend	trans	-148.7	60.9	-173.7	-171.2	36.8	0	0	0	110.7	R428 Y435 S471 L472 P512	R428-D438 IonicContact CZ-OD2 2.86Å; R428-D438 PolarHBondContact NH1-O 2.8Å; R428-D438 IonicContact NH1-OD2 3.95Å; R428-D438 PolarHBondContact NH1-OD2 2.7Å; R428-D438 IonicContact NH2-OD2 2.89Å; R428-D438 PolarHBondContact NH2-OD2 3.43Å; Y435-D438 CarbonylContact O-C 3.31Å; Y435-D438 VanDerWaalsContact O-C 3.31Å; Y435-D438 PolarHBondContact O-N 2.77Å; Y435-D438 VanDerWaalsContact O-N 3.09Å; D438-S471 WeakPolarHBondContact OD1-CA 3.16Å; D438-L472 PolarHBondContact OD1-N 2.78Å; D438-P512 HydrophobicContact CB-CB 4.15Å
439	A	97	Very high	95.7	Very high	2 Å²	2	42.9 Å²	42.9	2%	0.017	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-62.9	147	-176.3	0	0	0	0	0	112.5	D396 W403 Y435	D396-A439 HydrophobicContact CB-CB 3.83Å; W403-A439 HydrophobicContact CZ2-CB 3.9Å; Y435-A439 PolarHBondContact O-N 2.81Å; Y435-A439 VanDerWaalsContact O-N 3.17Å
440	P	98.4	Very high	96.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.212	C	C	.	.	P	Polyproline II helix	trans	-77.5	168.7	174.1	34.3	-34.3	0	0	0	111.7	M395 W403 L425 L472 Q476	M395-P440 HydrophobicContact CB-CG 4Å; M395-P440 WeakPolarHBondContact CB-O 3.5Å; M395-P440 HydrophobicContact CE-CG 4.26Å; M395-P440 HydrophobicContact CG-CG 4.39Å; M395-P440 PolarHBondContact N-O 3.3Å; W403-P440 HydrophobicContact CH2-CG 4.25Å; W403-P440 HydrophobicContact CZ3-CG 4.47Å; L425-P440 HydrophobicContact CD1-CG 4.32Å; L425-P440 HydrophobicContact CD2-CB 3.79Å; L425-P440 HydrophobicContact CD2-CG 3.66Å; P440-L472 HydrophobicContact CB-CD2 4Å; P440-Q476 VanDerWaalsContact CA-OE1 3.26Å
441	I	98.7	Very high	96.7	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	21%	0.211	C	C	.	.	B	Isolated β-bridge	trans	-77	156.4	164	62	179.9	0	0	0	111.8	E393 M395 C446 R473 Q476	E393-I441 CarbonylContact O-C 3.58Å; E393-I441 WeakPolarHBondContact O-CA 3.09Å; E393-I441 VanDerWaalsContact O-CB 3.31Å; E393-I441 WeakPolarHBondContact O-CB 3.47Å; M395-I441 WeakPolarHBondContact CE-O 3.25Å; I441-C446 HydrophobicContact CD1-CB 4.42Å; I441-R473 HydrophobicContact CG2-CB 3.75Å; I441-Q476 HydrophobicContact CD1-CB 3.61Å; I441-Q476 HydrophobicContact CG1-CB 3.73Å
442	T	98.6	Very high	97	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.2	C	C	.	.			trans	-78.1	177.5	173.6	67.7	0	0	0	0	112	E393 M395 V398 F399 N420 F444 G445 C446	E393-T442 HydrophobicContact CG-CG2 4.07Å; E393-T442 PolarHBondContact O-N 3.26Å; E393-T442 WeakPolarHBondContact OE2-CB 3.48Å; E393-T442 WeakPolarHBondContact OE2-CG2 3.44Å; E393-T442 PolarHBondContact OE2-OG1 3.47Å; M395-T442 HydrophobicContact CE-CG2 3.86Å; M395-T442 HydrophobicContact SD-CG2 4.19Å; V398-T442 HydrophobicContact CB-CG2 4.46Å; V398-T442 HydrophobicContact CG2-CG2 4.07Å; F399-T442 HydrophobicContact CE2-CG2 4.49Å; N420-T442 CarbonylContact O-C 3.55Å; N420-T442 WeakPolarHBondContact O-CA 3.41Å; N420-T442 VanDerWaalsContact O-CB 3.3Å; N420-T442 WeakPolarHBondContact O-CB 3.35Å; N420-T442 VanDerWaalsContact OD1-CB 3.23Å; N420-T442 WeakPolarHBondContact OD1-CB 3.41Å; N420-T442 PolarHBondContact OD1-OG1 2.87Å; T442-F444 VanDerWaalsContact C-N 3.34Å; T442-F444 PolarHBondContact OG1-N 3.33Å; T442-G445 PolarHBondContact O-N 2.88Å; T442-G445 PolarHBondContact OG1-N 2.95Å; T442-C446 PolarHBondContact O-N 2.8Å; T442-C446 PolarHBondContact O-SG 3.09Å
443	V	98.6	Very high	97.2	Very high	39 Å²	39	40.3 Å²	40.3	24%	0.236	19%	0.185	C	C	.	.	H	α-helix	trans	-64.5	-42	170.9	174.4	0	0	0	0	110	L419 N420 M421 G445 C446 M447	L419-V443 WeakPolarHBondContact O-CG2 3.2Å; N420-V443 PolarHBondContact O-N 3.16Å; N420-V443 PolarHBondContact OD1-N 3.42Å; M421-V443 WeakPolarHBondContact O-CG2 3.44Å; V443-G445 VanDerWaalsContact C-N 3.34Å; V443-C446 WeakPolarHBondContact O-CB 3.5Å; V443-C446 PolarHBondContact O-N 2.89Å; V443-C446 VanDerWaalsContact O-N 3.16Å; V443-M447 HydrophobicContact CG1-CE 4.45Å; V443-M447 WeakPolarHBondContact O-CG 3.24Å; V443-M447 PolarHBondContact O-N 3.24Å
444	F	97.6	Very high	97.5	Very high	82 Å²	82	36.1 Å²	36.1	36%	0.36	17%	0.172	S	C	.	.	H	α-helix	trans	-62.3	-40.8	172.4	-88.4	-106.1	0	0	0	111.8	E393 N420 T442 C446 M447 Q448	E393-F444 WeakPolarHBondContact OE2-CB 3.4Å; N420-F444 HydrophobicContact CB-CD2 4.4Å; N420-F444 WeakPolarHBondContact OD1-CB 3.42Å; N420-F444 VanDerWaalsContact OD1-CD2 3.24Å; N420-F444 WeakPolarHBondContact OD1-CD2 3.35Å; N420-F444 PolarHBondContact OD1-N 2.83Å; T442-F444 VanDerWaalsContact C-N 3.34Å; T442-F444 PolarHBondContact OG1-N 3.33Å; F444-C446 VanDerWaalsContact C-N 3.29Å; F444-C446 PolarHBondContact O-N 3.31Å; F444-M447 HydrophobicContact CB-CE 4.21Å; F444-M447 HydrophobicContact CD1-CE 3.79Å; F444-M447 HydrophobicContact CD2-CE 3.58Å; F444-M447 HydrophobicContact CE1-CE 4.02Å; F444-M447 HydrophobicContact CE2-CE 3.84Å; F444-M447 HydrophobicContact CG-CE 3.58Å; F444-M447 HydrophobicContact CZ-CE 4.06Å; F444-M447 PolarHBondContact O-N 3.11Å; F444-M447 VanDerWaalsContact O-N 3.07Å; F444-Q448 VanDerWaalsContact O-CG 3.27Å; F444-Q448 WeakPolarHBondContact O-CG 3.46Å; F444-Q448 PolarHBondContact O-N 3.07Å
445	G	98.4	Very high	97.6	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.7	-38.7	171.9	0	0	0	0	0	113	T442 V443 A449	T442-G445 PolarHBondContact O-N 2.88Å; T442-G445 PolarHBondContact OG1-N 2.95Å; V443-G445 VanDerWaalsContact C-N 3.34Å; G445-A449 WeakPolarHBondContact O-CB 3.32Å; G445-A449 PolarHBondContact O-N 2.59Å
446	C	98.7	Very high	97.7	Very high	24 Å²	24	35.3 Å²	35.3	16%	0.162	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-42.6	172.2	-64.6	0	0	0	0	112.1	I441 T442 V443 F444 A449 R450	I441-C446 HydrophobicContact CD1-CB 4.42Å; T442-C446 PolarHBondContact O-N 2.8Å; T442-C446 PolarHBondContact O-SG 3.09Å; V443-C446 WeakPolarHBondContact O-CB 3.5Å; V443-C446 PolarHBondContact O-N 2.89Å; V443-C446 VanDerWaalsContact O-N 3.16Å; F444-C446 VanDerWaalsContact C-N 3.29Å; F444-C446 PolarHBondContact O-N 3.31Å; C446-A449 PolarHBondContact O-N 3.09Å; C446-R450 WeakPolarHBondContact O-CG 3.34Å; C446-R450 PolarHBondContact O-N 3.25Å
447	M	98.4	Very high	98	Very high	79 Å²	79	32.8 Å²	32.8	39%	0.389	16%	0.162	S	C	.	.	H	α-helix	trans	-66.3	-45.2	179.3	-68.2	-173.1	-62.1	0	0	111.8	V443 F444 A449 R450 L451	V443-M447 HydrophobicContact CG1-CE 4.45Å; V443-M447 WeakPolarHBondContact O-CG 3.24Å; V443-M447 PolarHBondContact O-N 3.24Å; F444-M447 HydrophobicContact CB-CE 4.21Å; F444-M447 HydrophobicContact CD1-CE 3.79Å; F444-M447 HydrophobicContact CD2-CE 3.58Å; F444-M447 HydrophobicContact CE1-CE 4.02Å; F444-M447 HydrophobicContact CE2-CE 3.84Å; F444-M447 HydrophobicContact CG-CE 3.58Å; F444-M447 HydrophobicContact CZ-CE 4.06Å; F444-M447 PolarHBondContact O-N 3.11Å; F444-M447 VanDerWaalsContact O-N 3.07Å; M447-A449 VanDerWaalsContact C-N 3.27Å; M447-A449 PolarHBondContact O-N 3.39Å; M447-R450 PolarHBondContact O-N 3.25Å; M447-R450 VanDerWaalsContact O-N 3.15Å; M447-L451 WeakPolarHBondContact O-CG 3.39Å; M447-L451 PolarHBondContact O-N 2.96Å
448	Q	98.4	Very high	98.2	Very high	8 Å²	8	36.9 Å²	36.9	4%	0.037	18%	0.182	C	C	.	.	H	α-helix	trans	-52.5	-47.9	173.6	-69.5	163.9	-8.9	0	0	111	F444 L451 V452 L608 L632 H634	F444-Q448 VanDerWaalsContact O-CG 3.27Å; F444-Q448 WeakPolarHBondContact O-CG 3.46Å; F444-Q448 PolarHBondContact O-N 3.07Å; Q448-L451 PolarHBondContact O-N 3.34Å; Q448-V452 PolarHBondContact O-N 2.89Å; Q448-V452 VanDerWaalsContact O-N 3.14Å; Q448-L608 HydrophobicContact CB-CD2 3.57Å; Q448-L608 HydrophobicContact CB-CG 3.99Å; Q448-L632 HydrophobicContact CB-CD2 3.85Å; Q448-L632 HydrophobicContact CG-CD2 3.82Å; Q448-H634 PolarHBondContact NE2-NE2 3.41Å
449	A	98.8	Very high	98.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.5	-40.9	178.9	0	0	0	0	0	113	G445 C446 M447 V452 G453 T477 N480 I481 L608	G445-A449 WeakPolarHBondContact O-CB 3.32Å; G445-A449 PolarHBondContact O-N 2.59Å; C446-A449 PolarHBondContact O-N 3.09Å; M447-A449 VanDerWaalsContact C-N 3.27Å; M447-A449 PolarHBondContact O-N 3.39Å; A449-V452 PolarHBondContact O-N 3.22Å; A449-G453 PolarHBondContact O-N 3Å; A449-G453 VanDerWaalsContact O-N 3.13Å; A449-T477 HydrophobicContact CB-CG2 3.85Å; A449-N480 HydrophobicContact CB-CB 3.58Å; A449-I481 HydrophobicContact CB-CG1 4.11Å; A449-I481 WeakPolarHBondContact O-CA 3.44Å; A449-I481 VanDerWaalsContact O-CG1 3.25Å; A449-I481 WeakPolarHBondContact O-CG1 3.23Å; A449-L608 HydrophobicContact CB-CD1 4.41Å
450	R	98.8	Very high	98	Very high	104 Å²	104	45.3 Å²	45.3	39%	0.392	23%	0.231	S	C	.	.	H	α-helix	trans	-64.3	-45.7	175.8	-73.6	176.9	-164.8	-179.7	4	112.1	C446 M447 V452 G453 E454 N480	C446-R450 WeakPolarHBondContact O-CG 3.34Å; C446-R450 PolarHBondContact O-N 3.25Å; M447-R450 PolarHBondContact O-N 3.25Å; M447-R450 VanDerWaalsContact O-N 3.15Å; R450-V452 VanDerWaalsContact C-N 3.28Å; R450-V452 PolarHBondContact O-N 3.42Å; R450-G453 CarbonylContact O-C 3.59Å; R450-G453 WeakPolarHBondContact O-CA 3.49Å; R450-G453 PolarHBondContact O-N 3.36Å; R450-E454 WeakPolarHBondContact O-CG 3.46Å; R450-E454 PolarHBondContact O-N 3.31Å; R450-N480 HydrophobicContact CG-CB 4.04Å; R450-N480 WeakPolarHBondContact CG-O 3.41Å; R450-N480 PolarHBondContact NE-OD1 2.94Å; R450-N480 PolarHBondContact NH2-OD1 3.2Å
451	L	98.5	Very high	97.8	Very high	84 Å²	84	46.1 Å²	46.1	44%	0.44	24%	0.236	S	C	.	.	H	α-helix	trans	-58.3	-39.8	177.6	-72.2	171.7	0	0	0	112	M447 Q448 E454 A455 L632	M447-L451 WeakPolarHBondContact O-CG 3.39Å; M447-L451 PolarHBondContact O-N 2.96Å; Q448-L451 PolarHBondContact O-N 3.34Å; L451-E454 PolarHBondContact O-N 2.82Å; L451-A455 WeakPolarHBondContact O-CB 3.4Å; L451-A455 PolarHBondContact O-N 2.89Å; L451-L632 HydrophobicContact CD1-CD1 4.27Å; L451-L632 HydrophobicContact CD1-CD2 4.47Å
452	V	98.7	Very high	97.7	Very high	10 Å²	10	51 Å²	51	6%	0.061	26%	0.261	C	S	.	.	H	α-helix	trans	-63.3	-42.7	173.4	167.3	0	0	0	0	111.4	Q448 A449 R450 A455 L456 I481 L608 F610 I629	Q448-V452 PolarHBondContact O-N 2.89Å; Q448-V452 VanDerWaalsContact O-N 3.14Å; A449-V452 PolarHBondContact O-N 3.22Å; R450-V452 VanDerWaalsContact C-N 3.28Å; R450-V452 PolarHBondContact O-N 3.42Å; V452-A455 PolarHBondContact O-N 3.13Å; V452-L456 HydrophobicContact CG1-CD1 4.19Å; V452-L456 VanDerWaalsContact O-CG 3.31Å; V452-L456 WeakPolarHBondContact O-CG 3.33Å; V452-L456 PolarHBondContact O-N 3.44Å; V452-I481 HydrophobicContact CG1-CD1 4.41Å; V452-I481 HydrophobicContact CG1-CG1 4.36Å; V452-L608 HydrophobicContact CB-CD1 4.31Å; V452-L608 HydrophobicContact CG2-CB 3.94Å; V452-L608 HydrophobicContact CG2-CD1 3.98Å; V452-L608 HydrophobicContact CG2-CG 3.92Å; V452-F610 HydrophobicContact CG1-CD2 4.12Å; V452-F610 HydrophobicContact CG1-CE2 4.12Å; V452-I629 HydrophobicContact CG1-CD1 3.81Å
453	G	98.6	Very high	97.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-42.7	174.8	0	0	0	0	0	113.3	A449 R450 L456 L457 I481 G484 L485	A449-G453 PolarHBondContact O-N 3Å; A449-G453 VanDerWaalsContact O-N 3.13Å; R450-G453 CarbonylContact O-C 3.59Å; R450-G453 WeakPolarHBondContact O-CA 3.49Å; R450-G453 PolarHBondContact O-N 3.36Å; G453-L456 PolarHBondContact O-N 3.35Å; G453-L457 PolarHBondContact O-N 3.41Å; G453-I481 WeakPolarHBondContact CA-O 3.48Å; G453-G484 CarbonylContact O-C 3.54Å; G453-L485 WeakPolarHBondContact O-CD2 3.46Å
454	E	98.6	Very high	97.6	Very high	82 Å²	82	52 Å²	52	38%	0.383	27%	0.265	S	S	.	.	H	α-helix	trans	-62.4	-44.7	176	-71.7	166	-166.5	0	0	110.6	R450 L451 L456 L457 E458	R450-E454 WeakPolarHBondContact O-CG 3.46Å; R450-E454 PolarHBondContact O-N 3.31Å; L451-E454 PolarHBondContact O-N 2.82Å; E454-L456 VanDerWaalsContact C-N 3.34Å; E454-L456 PolarHBondContact O-N 3.41Å; E454-L457 WeakPolarHBondContact O-CB 3.19Å; E454-L457 PolarHBondContact O-N 3.5Å; E454-L457 VanDerWaalsContact O-N 3.13Å; E454-E458 WeakPolarHBondContact O-CB 3.48Å; E454-E458 VanDerWaalsContact O-CG 3.31Å; E454-E458 WeakPolarHBondContact O-CG 3.41Å; E454-E458 PolarHBondContact O-N 2.92Å
455	A	98.1	Very high	97.6	Very high	27 Å²	27	49.1 Å²	49.1	22%	0.223	25%	0.252	C	S	.	.	H	α-helix	trans	-63.2	-38.1	175.7	0	0	0	0	0	112.6	L451 V452 L457 E458 S459 I629	L451-A455 WeakPolarHBondContact O-CB 3.4Å; L451-A455 PolarHBondContact O-N 2.89Å; V452-A455 PolarHBondContact O-N 3.13Å; A455-L457 VanDerWaalsContact C-N 3.32Å; A455-E458 PolarHBondContact O-N 2.65Å; A455-S459 WeakPolarHBondContact O-CB 3.48Å; A455-S459 PolarHBondContact O-N 3.26Å; A455-S459 PolarHBondContact O-OG 3.06Å; A455-I629 VanDerWaalsContact C-CG2 3.5Å; A455-I629 HydrophobicContact CB-CB 4.03Å; A455-I629 HydrophobicContact CB-CG2 3.73Å; A455-I629 WeakPolarHBondContact O-CG2 3.16Å
456	L	97.9	Very high	97.7	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-64.8	-37.4	173.9	-72.1	167	0	0	0	111.6	V452 G453 E454 S459 N460 T461 I481 L485 F610 P628 I629	V452-L456 HydrophobicContact CG1-CD1 4.19Å; V452-L456 VanDerWaalsContact O-CG 3.31Å; V452-L456 WeakPolarHBondContact O-CG 3.33Å; V452-L456 PolarHBondContact O-N 3.44Å; G453-L456 PolarHBondContact O-N 3.35Å; E454-L456 VanDerWaalsContact C-N 3.34Å; E454-L456 PolarHBondContact O-N 3.41Å; L456-S459 WeakPolarHBondContact CA-OG 3.44Å; L456-S459 PolarHBondContact O-OG 3.12Å; L456-N460 PolarHBondContact O-N 3.06Å; L456-T461 HydrophobicContact CD2-CG2 3.92Å; L456-T461 PolarHBondContact O-N 2.93Å; L456-I481 HydrophobicContact CD1-CG2 4.27Å; L456-L485 HydrophobicContact CB-CD2 3.54Å; L456-L485 HydrophobicContact CB-CG 4.26Å; L456-L485 HydrophobicContact CD1-CD1 4.36Å; L456-F610 HydrophobicContact CD1-CE2 4.37Å; L456-F610 HydrophobicContact CD2-CZ 4.18Å; L456-P628 HydrophobicContact CD2-CG 4.18Å; L456-I629 HydrophobicContact CD2-CD1 4.34Å; L456-I629 HydrophobicContact CD2-CG2 3.83Å; L456-I629 HydrophobicContact CG-CD1 4.27Å; L456-I629 HydrophobicContact CG-CG2 4.06Å
457	L	97.6	Very high	97.7	Very high	69 Å²	69	48 Å²	48	36%	0.361	25%	0.245	S	C	.	.	H	α-helix	trans	-66.3	-46.3	173.7	-178.2	62.8	0	0	0	111.6	G453 E454 A455 S459 N460 L485 Q486	G453-L457 PolarHBondContact O-N 3.41Å; E454-L457 WeakPolarHBondContact O-CB 3.19Å; E454-L457 PolarHBondContact O-N 3.5Å; E454-L457 VanDerWaalsContact O-N 3.13Å; A455-L457 VanDerWaalsContact C-N 3.32Å; L457-S459 PolarHBondContact O-N 2.97Å; L457-N460 WeakPolarHBondContact O-CA 3.45Å; L457-N460 PolarHBondContact O-N 3.39Å; L457-L485 HydrophobicContact CB-CD2 4.26Å; L457-Q486 HydrophobicContact CD2-CG 4.02Å
458	E	96.9	Very high	97.7	Very high	162 Å²	162	44.3 Å²	44.3	76%	0.757	23%	0.227	S	C	*	.	H	α-helix	trans	-64	-37.9	180	-74.2	173.6	-178	0	0	112.8	E454 A455 N460	E454-E458 WeakPolarHBondContact O-CB 3.48Å; E454-E458 VanDerWaalsContact O-CG 3.31Å; E454-E458 WeakPolarHBondContact O-CG 3.41Å; E454-E458 PolarHBondContact O-N 2.92Å; A455-E458 PolarHBondContact O-N 2.65Å; E458-N460 PolarHBondContact O-N 3.32Å
459	S	94.9	Very high	97.7	Very high	47 Å²	47	43.9 Å²	43.9	33%	0.329	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.2	-2.7	173.1	59.8	0	0	0	0	113.6	A455 L456 L457 T461 P628	A455-S459 WeakPolarHBondContact O-CB 3.48Å; A455-S459 PolarHBondContact O-N 3.26Å; A455-S459 PolarHBondContact O-OG 3.06Å; L456-S459 WeakPolarHBondContact CA-OG 3.44Å; L456-S459 PolarHBondContact O-OG 3.12Å; L457-S459 PolarHBondContact O-N 2.97Å; S459-T461 PolarHBondContact O-N 3.23Å; S459-T461 PolarHBondContact OG-OG1 2.82Å; S459-P628 WeakPolarHBondContact CB-O 3.39Å
460	N	95.1	Very high	97.7	Very high	133 Å²	133	44.2 Å²	44.2	71%	0.711	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	34	-173.7	-166.9	46.2	0	0	0	112.5	L456 L457 E458 I462	L456-N460 PolarHBondContact O-N 3.06Å; L457-N460 WeakPolarHBondContact O-CA 3.45Å; L457-N460 PolarHBondContact O-N 3.39Å; E458-N460 PolarHBondContact O-N 3.32Å; N460-I462 PolarHBondContact O-N 2.95Å
461	T	95.1	Very high	97.7	Very high	18 Å²	18	39.2 Å²	39.2	11%	0.11	21%	0.208	C	C	.	.			trans	-84.9	102.6	176.4	-58.4	0	0	0	0	109.3	F387 L456 S459 I463 P628	F387-T461 HydrophobicContact CE2-CG2 3.79Å; F387-T461 HydrophobicContact CZ-CG2 3.9Å; L456-T461 HydrophobicContact CD2-CG2 3.92Å; L456-T461 PolarHBondContact O-N 2.93Å; S459-T461 PolarHBondContact O-N 3.23Å; S459-T461 PolarHBondContact OG-OG1 2.82Å; T461-I463 HydrophobicContact CG2-CD1 4.23Å; T461-P628 HydrophobicContact CG2-CG 3.91Å; T461-P628 WeakPolarHBondContact OG1-CB 3.35Å
462	I	95.6	Very high	97.7	Very high	104 Å²	104	35.3 Å²	35.3	53%	0.533	19%	0.187	S	C	.	.			trans	-70.7	132.8	176.9	-58.3	173.2	0	0	0	109.1	N460 N570	N460-I462 PolarHBondContact O-N 2.95Å; I462-N570 WeakPolarHBondContact O-CB 3.42Å; I462-N570 PolarHBondContact O-ND2 3.45Å
463	I	97.8	Very high	97.7	Very high	11 Å²	11	35.1 Å²	35.1	6%	0.056	19%	0.186	C	C	.	.			trans	-108.7	123	171	-58.1	-58.3	0	0	0	108.1	F387 T461 L485 L491 N570 L572	F387-I463 HydrophobicContact CD2-CD1 3.63Å; F387-I463 HydrophobicContact CE2-CD1 3.75Å; T461-I463 HydrophobicContact CG2-CD1 4.23Å; I463-L485 HydrophobicContact CB-CD1 4.3Å; I463-L485 HydrophobicContact CG1-CD1 3.85Å; I463-L491 HydrophobicContact CG2-CD1 4.47Å; I463-L491 VanDerWaalsContact O-CD1 3.3Å; I463-L491 WeakPolarHBondContact O-CD1 3.43Å; I463-N570 HydrophobicContact CD1-CB 4.44Å; I463-L572 HydrophobicContact CD1-CB 4.46Å; I463-L572 HydrophobicContact CG2-CB 3.83Å
464	D	97.6	Very high	97.7	Very high	48 Å²	48	35.1 Å²	35.1	26%	0.257	19%	0.186	S	C	.	.			trans	-93.9	-37.2	-176.1	-59.1	-68.8	0	0	0	112.1	L491 G568 N569 N570	D464-L491 WeakPolarHBondContact O-CD2 3.38Å; D464-G568 VanDerWaalsContact OD2-CA 3.27Å; D464-G568 WeakPolarHBondContact OD2-CA 3.41Å; D464-N569 PolarHBondContact OD2-N 3.4Å; D464-N570 PolarHBondContact N-O 2.86Å; D464-N570 PolarHBondContact OD2-N 2.94Å
465	H	98.3	Very high	97.7	Very high	21 Å²	21	31.2 Å²	31.2	10%	0.097	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	139.1	-179.5	-56.9	-84.3	0	0	0	110.3	Y467 R494 K567 N570 I571 L572	H465-Y467 HydrophobicContact CB-CD2 4.45Å; H465-Y467 HydrophobicContact CB-CE2 3.97Å; H465-R494 PolarHBondContact ND1-NH1 2.92Å; H465-R494 PolarHBondContact ND1-NH2 2.99Å; H465-K567 PolarHBondContact NE2-O 3.44Å; H465-N570 PolarHBondContact N-O 2.93Å; H465-I571 WeakPolarHBondContact O-CA 3.47Å; H465-L572 PolarHBondContact O-N 3.22Å
466	V	98.6	Very high	97.8	Very high	2 Å²	2	30.9 Å²	30.9	1%	0.012	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	123.6	175.7	53	0	0	0	0	110.6	A478 L482 L491 I493 R494 L572 V574	V466-A478 HydrophobicContact CG2-CB 4.17Å; V466-L482 HydrophobicContact CG1-CD1 4.19Å; V466-L482 HydrophobicContact CG1-CD2 4.13Å; V466-L491 HydrophobicContact CG1-CB 4.4Å; V466-I493 HydrophobicContact CG1-CG1 3.94Å; V466-I493 HydrophobicContact CG2-CG1 4.38Å; V466-R494 PolarHBondContact O-N 3Å; V466-L572 CarbonylContact C-O 3.5Å; V466-L572 WeakPolarHBondContact CA-O 3.4Å; V466-L572 HydrophobicContact CG2-CD2 4.3Å; V466-L572 HydrophobicContact CG2-CG 4.48Å; V466-V574 HydrophobicContact CG2-CG2 4.43Å
467	Y	98.9	Very high	97.8	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.2	175.1	-70.2	-103.4	0	0	0	109.4	H465 R494 E496 Y531 I560 E563 C564 I571 L572 I573 V574	H465-Y467 HydrophobicContact CB-CD2 4.45Å; H465-Y467 HydrophobicContact CB-CE2 3.97Å; Y467-R494 CarbonylContact C-O 3.53Å; Y467-R494 VanDerWaalsContact CA-O 3.3Å; Y467-R494 WeakPolarHBondContact CA-O 3.05Å; Y467-R494 HydrophobicContact CD1-CB 3.56Å; Y467-R494 HydrophobicContact CE1-CB 3.75Å; Y467-R494 HydrophobicContact CE1-CG 4.28Å; Y467-R494 HydrophobicContact CG-CB 4.05Å; Y467-R494 PolarHBondContact OH-NH1 3.44Å; Y467-E496 HydrophobicContact CD1-CB 4.35Å; Y467-Y531 AromaticContact CE1-CE2 3.81Å; Y467-Y531 HydrophobicContact CE1-CE2 3.81Å; Y467-Y531 AromaticContact CE1-CZ 3.69Å; Y467-Y531 WeakPolarHBondContact CE1-OH 3.43Å; Y467-I560 HydrophobicContact CD1-CD1 3.77Å; Y467-I560 HydrophobicContact CD1-CG1 3.87Å; Y467-I560 HydrophobicContact CD2-CG2 3.8Å; Y467-I560 HydrophobicContact CE1-CD1 4.14Å; Y467-I560 HydrophobicContact CE1-CG1 3.68Å; Y467-I560 HydrophobicContact CE1-CG2 4.31Å; Y467-I560 HydrophobicContact CE2-CG1 4.45Å; Y467-I560 HydrophobicContact CE2-CG2 3.55Å; Y467-I560 HydrophobicContact CG-CD1 3.98Å; Y467-I560 HydrophobicContact CG-CG1 4.31Å; Y467-I560 HydrophobicContact CG-CG2 4.3Å; Y467-E563 PolarHBondContact OH-OE2 2.94Å; Y467-C564 PolarHBondContact OH-SG 3.36Å; Y467-I571 HydrophobicContact CD2-CG2 3.99Å; Y467-I571 HydrophobicContact CE2-CG2 4.27Å; Y467-L572 PolarHBondContact N-O 2.76Å; Y467-I573 WeakPolarHBondContact O-CA 3.5Å; Y467-V574 PolarHBondContact O-N 3.43Å
468	C	98.8	Very high	97.9	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	156.7	173	78.3	0	0	0	0	112.9	C474 A478 I493 R494 E496 V574	C468-C474 HydrophobicContact CB-CB 4.49Å; C468-A478 HydrophobicContact CB-CB 4.16Å; C468-I493 HydrophobicContact CB-CG2 4Å; C468-I493 WeakPolarHBondContact SG-CG2 3.3Å; C468-R494 PolarHBondContact N-O 2.88Å; C468-E496 PolarHBondContact O-N 3.3Å; C468-V574 WeakPolarHBondContact CA-O 3.31Å; C468-V574 HydrophobicContact CB-CB 4.17Å; C468-V574 VanDerWaalsContact CB-O 3.3Å; C468-V574 WeakPolarHBondContact CB-O 3.49Å
469	S	98.8	Very high	97.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.111	C	C	.	.			trans	-62	152.1	166.2	178.3	0	0	0	0	111.2	S471 F500 V574 H576	S469-S471 PolarHBondContact O-N 2.87Å; S469-F500 WeakPolarHBondContact OG-CA 3.36Å; S469-V574 PolarHBondContact N-O 2.97Å; S469-V574 VanDerWaalsContact N-O 3.13Å; S469-H576 WeakPolarHBondContact CB-NE2 3.34Å; S469-H576 PolarHBondContact OG-NE2 3.17Å
470	P	98.6	Very high	98.1	Very high	6 Å²	6	18.7 Å²	18.7	4%	0.039	10%	0.097	C	C	.	.	S	Bend	trans	-68.8	-9.2	177.7	29.4	-40.1	0	0	0	114.6	L472 V495 E496 P497 F500 W514	P470-L472 PolarHBondContact O-N 2.83Å; P470-V495 HydrophobicContact CB-CG1 3.83Å; P470-E496 WeakPolarHBondContact CD-O 3.27Å; P470-P497 HydrophobicContact CG-CB 4.17Å; P470-F500 HydrophobicContact CG-CB 4.34Å; P470-W514 HydrophobicContact CB-CB 4.25Å; P470-W514 HydrophobicContact CB-CD2 3.92Å; P470-W514 HydrophobicContact CB-CE3 4.34Å; P470-W514 HydrophobicContact CB-CG 3.87Å; P470-W514 HydrophobicContact CG-CD2 3.87Å; P470-W514 HydrophobicContact CG-CE3 4.17Å; P470-W514 HydrophobicContact CG-CG 4.28Å; P470-W514 HydrophobicContact CG-CH2 4.44Å; P470-W514 HydrophobicContact CG-CZ2 4.16Å; P470-W514 HydrophobicContact CG-CZ3 4.43Å
471	S	98.6	Very high	98.3	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	6%	0.064	C	C	.	.	S	Bend	trans	-62.2	134.2	175.3	-54.6	0	0	0	0	110.7	D438 S469 R473 C474 V475 F500 H576	D438-S471 WeakPolarHBondContact OD1-CA 3.16Å; S469-S471 PolarHBondContact O-N 2.87Å; S471-R473 PolarHBondContact O-N 2.63Å; S471-R473 VanDerWaalsContact O-N 3.16Å; S471-C474 WeakPolarHBondContact O-CA 3.26Å; S471-C474 WeakPolarHBondContact O-CB 3.48Å; S471-C474 PolarHBondContact O-N 2.7Å; S471-V475 PolarHBondContact O-N 3.08Å; S471-F500 WeakPolarHBondContact OG-CD2 3.43Å; S471-F500 VanDerWaalsContact OG-CE2 3.22Å; S471-F500 WeakPolarHBondContact OG-CE2 3.41Å; S471-H576 PolarHBondContact OG-CE1 3.39Å
472	L	98.6	Very high	98.5	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.005	6%	0.059	C	C	.	.	H	α-helix	trans	-54.6	-42.3	-175.4	177.3	60.9	0	0	0	112	Y435 D438 P440 P470 C474 V475 Q476 I515 L520 L525	Y435-L472 HydrophobicContact CD1-CD2 4.11Å; Y435-L472 HydrophobicContact CE1-CD2 3.44Å; Y435-L472 VanDerWaalsContact CE1-CD2 3.44Å; D438-L472 PolarHBondContact OD1-N 2.78Å; P440-L472 HydrophobicContact CB-CD2 4Å; P470-L472 PolarHBondContact O-N 2.83Å; L472-C474 VanDerWaalsContact C-N 3.25Å; L472-C474 PolarHBondContact O-N 2.88Å; L472-V475 PolarHBondContact O-N 2.87Å; L472-Q476 HydrophobicContact CD1-CG 3.86Å; L472-Q476 HydrophobicContact CG-CG 4.16Å; L472-Q476 WeakPolarHBondContact O-CB 3.43Å; L472-Q476 WeakPolarHBondContact O-CG 3.43Å; L472-Q476 PolarHBondContact O-N 2.83Å; L472-I515 HydrophobicContact CD1-CD1 4.12Å; L472-I515 HydrophobicContact CD2-CD1 4.37Å; L472-L520 HydrophobicContact CD1-CD2 4.07Å; L472-L525 HydrophobicContact CD1-CD1 4.24Å
473	R	98.7	Very high	98.6	Very high	7 Å²	7	10.4 Å²	10.4	3%	0.026	5%	0.05	C	C	.	.	H	α-helix	trans	-55.4	-36.8	175.2	61.7	-172	-175.5	-94.1	3.5	114	H391 I441 S471 T477 E501 H576	H391-R473 HydrophobicContact CB-CB 4.3Å; H391-R473 HydrophobicContact CB-CG 4.14Å; H391-R473 PolarHBondContact CD2-NE 2.87Å; H391-R473 VanDerWaalsContact CD2-NE 3.29Å; H391-R473 PolarHBondContact NE2-NE 3.34Å; H391-R473 VanDerWaalsContact NE2-NE 3.16Å; I441-R473 HydrophobicContact CG2-CB 3.75Å; S471-R473 PolarHBondContact O-N 2.63Å; S471-R473 VanDerWaalsContact O-N 3.16Å; R473-T477 WeakPolarHBondContact O-CB 3.48Å; R473-T477 PolarHBondContact O-N 3.16Å; R473-T477 PolarHBondContact O-OG1 3.04Å; R473-E501 IonicContact CZ-OE1 3.86Å; R473-E501 IonicContact NH2-OE1 3.34Å; R473-E501 PolarHBondContact NH2-OE1 3.26Å; R473-E501 IonicContact NH2-OE2 3.53Å; R473-H576 PolarHBondContact NH2-CE1 2.71Å; R473-H576 PolarHBondContact NH2-ND1 3.17Å
474	C	98.9	Very high	98.6	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-75	-43.4	180	-57.4	0	0	0	0	110.5	C468 S471 L472 T477 A478 V574 A575 H576	C468-C474 HydrophobicContact CB-CB 4.49Å; S471-C474 WeakPolarHBondContact O-CA 3.26Å; S471-C474 WeakPolarHBondContact O-CB 3.48Å; S471-C474 PolarHBondContact O-N 2.7Å; L472-C474 VanDerWaalsContact C-N 3.25Å; L472-C474 PolarHBondContact O-N 2.88Å; C474-T477 PolarHBondContact O-N 3.36Å; C474-A478 WeakPolarHBondContact O-CB 3.26Å; C474-A478 PolarHBondContact O-N 3.03Å; C474-V574 WeakPolarHBondContact O-CG1 3.41Å; C474-A575 PolarHBondContact SG-O 3.23Å; C474-A575 VanDerWaalsContact SG-O 3.39Å; C474-H576 VanDerWaalsContact SG-CE1 3.58Å
475	V	98.8	Very high	98.6	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-61.5	-47	175.7	-174.1	0	0	0	0	110.9	S471 L472 T477 A478 H479 V495 L520 L525 V527	S471-V475 PolarHBondContact O-N 3.08Å; L472-V475 PolarHBondContact O-N 2.87Å; V475-T477 VanDerWaalsContact C-N 3.32Å; V475-T477 PolarHBondContact O-N 3.23Å; V475-A478 PolarHBondContact O-N 3.26Å; V475-H479 WeakPolarHBondContact O-CB 3.49Å; V475-H479 PolarHBondContact O-N 3.5Å; V475-V495 HydrophobicContact CG2-CG2 4.47Å; V475-L520 HydrophobicContact CG1-CD1 4.19Å; V475-L520 HydrophobicContact CG1-CD2 4.22Å; V475-L520 HydrophobicContact CG2-CD1 4Å; V475-L525 HydrophobicContact CG1-CB 4.11Å; V475-L525 HydrophobicContact CG1-CD1 4.18Å; V475-V527 HydrophobicContact CG1-CG2 3.81Å
476	Q	98.8	Very high	98.6	Very high	20 Å²	20	13.6 Å²	13.6	9%	0.093	6%	0.064	C	C	.	.	H	α-helix	trans	-64.3	-37	178	-71.5	177.4	-41.5	0	0	112.1	P440 I441 L472 N480 L525	P440-Q476 VanDerWaalsContact CA-OE1 3.26Å; I441-Q476 HydrophobicContact CD1-CB 3.61Å; I441-Q476 HydrophobicContact CG1-CB 3.73Å; L472-Q476 HydrophobicContact CD1-CG 3.86Å; L472-Q476 HydrophobicContact CG-CG 4.16Å; L472-Q476 WeakPolarHBondContact O-CB 3.43Å; L472-Q476 WeakPolarHBondContact O-CG 3.43Å; L472-Q476 PolarHBondContact O-N 2.83Å; Q476-N480 PolarHBondContact O-N 3.07Å; Q476-N480 PolarHBondContact O-ND2 3.14Å; Q476-L525 HydrophobicContact CG-CD1 4.36Å; Q476-L525 HydrophobicContact CG-CD2 4.23Å
477	T	98.9	Very high	98.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-63.6	-50.1	174.2	-58.5	0	0	0	0	110	H391 G392 A449 R473 C474 V475 H479 N480 I481 V574 L608	H391-T477 WeakPolarHBondContact CA-OG1 3.21Å; G392-T477 PolarHBondContact N-OG1 3.22Å; A449-T477 HydrophobicContact CB-CG2 3.85Å; R473-T477 WeakPolarHBondContact O-CB 3.48Å; R473-T477 PolarHBondContact O-N 3.16Å; R473-T477 PolarHBondContact O-OG1 3.04Å; C474-T477 PolarHBondContact O-N 3.36Å; V475-T477 VanDerWaalsContact C-N 3.32Å; V475-T477 PolarHBondContact O-N 3.23Å; T477-H479 VanDerWaalsContact C-N 3.32Å; T477-H479 PolarHBondContact O-N 2.82Å; T477-N480 PolarHBondContact O-N 3.42Å; T477-N480 VanDerWaalsContact O-N 3.13Å; T477-I481 HydrophobicContact CG2-CD1 3.93Å; T477-I481 HydrophobicContact CG2-CG1 4.45Å; T477-I481 WeakPolarHBondContact O-CG1 3.44Å; T477-I481 PolarHBondContact O-N 3.28Å; T477-V574 HydrophobicContact CG2-CG1 3.63Å; T477-L608 HydrophobicContact CG2-CD1 3.77Å; T477-L608 HydrophobicContact CG2-CD2 4.43Å
478	A	98.9	Very high	98.3	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-57.5	-44.4	178.7	0	0	0	0	0	111.9	V466 C468 C474 V475 N480 I481 L482 I493 V574	V466-A478 HydrophobicContact CG2-CB 4.17Å; C468-A478 HydrophobicContact CB-CB 4.16Å; C474-A478 WeakPolarHBondContact O-CB 3.26Å; C474-A478 PolarHBondContact O-N 3.03Å; V475-A478 PolarHBondContact O-N 3.26Å; A478-N480 PolarHBondContact O-N 3.23Å; A478-I481 PolarHBondContact O-N 2.96Å; A478-L482 WeakPolarHBondContact O-CG 3.35Å; A478-L482 PolarHBondContact O-N 3.13Å; A478-I493 HydrophobicContact CB-CD1 3.72Å; A478-I493 HydrophobicContact CB-CG1 4.14Å; A478-I493 HydrophobicContact CB-CG2 4.15Å; A478-V574 HydrophobicContact CB-CB 3.98Å; A478-V574 HydrophobicContact CB-CG1 4.25Å; A478-V574 HydrophobicContact CB-CG2 3.84Å
479	H	98.8	Very high	98	Very high	12 Å²	12	25 Å²	25	6%	0.056	12%	0.121	C	C	.	.	H	α-helix	trans	-62.6	-40	177	175	74.9	0	0	0	112.8	V475 T477 L482 K483 I493 N524 L525 S526	V475-H479 WeakPolarHBondContact O-CB 3.49Å; V475-H479 PolarHBondContact O-N 3.5Å; T477-H479 VanDerWaalsContact C-N 3.32Å; T477-H479 PolarHBondContact O-N 2.82Å; H479-L482 PolarHBondContact O-N 3.42Å; H479-K483 WeakPolarHBondContact NE2-CE 3.25Å; H479-K483 PolarHBondContact NE2-NZ 3.19Å; H479-K483 PolarHBondContact O-N 3.32Å; H479-I493 HydrophobicContact CB-CD1 3.98Å; H479-N524 PolarHBondContact CE1-O 3.18Å; H479-L525 HydrophobicContact CB-CD2 4.09Å; H479-S526 PolarHBondContact ND1-OG 3.42Å
480	N	98.8	Very high	97.7	Very high	9 Å²	9	31.8 Å²	31.8	5%	0.048	15%	0.153	C	C	.	.	H	α-helix	trans	-73.6	-31.8	177.5	-80	-76.3	0	0	0	112.7	A449 R450 Q476 T477 A478 L482 K483 G484	A449-N480 HydrophobicContact CB-CB 3.58Å; R450-N480 HydrophobicContact CG-CB 4.04Å; R450-N480 WeakPolarHBondContact CG-O 3.41Å; R450-N480 PolarHBondContact NE-OD1 2.94Å; R450-N480 PolarHBondContact NH2-OD1 3.2Å; Q476-N480 PolarHBondContact O-N 3.07Å; Q476-N480 PolarHBondContact O-ND2 3.14Å; T477-N480 PolarHBondContact O-N 3.42Å; T477-N480 VanDerWaalsContact O-N 3.13Å; A478-N480 PolarHBondContact O-N 3.23Å; N480-L482 VanDerWaalsContact C-N 3.35Å; N480-K483 WeakPolarHBondContact O-CB 3.27Å; N480-K483 PolarHBondContact O-N 3.39Å; N480-G484 PolarHBondContact O-N 2.94Å; N480-G484 VanDerWaalsContact O-N 3.09Å
481	I	98.9	Very high	97.7	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.158	C	C	.	.	H	α-helix	trans	-61.9	-45.3	168.9	-68.8	167.3	0	0	0	109.9	A449 V452 G453 L456 T477 A478 K483 G484 L485 L572 V574 L608	A449-I481 HydrophobicContact CB-CG1 4.11Å; A449-I481 WeakPolarHBondContact O-CA 3.44Å; A449-I481 VanDerWaalsContact O-CG1 3.25Å; A449-I481 WeakPolarHBondContact O-CG1 3.23Å; V452-I481 HydrophobicContact CG1-CD1 4.41Å; V452-I481 HydrophobicContact CG1-CG1 4.36Å; G453-I481 WeakPolarHBondContact CA-O 3.48Å; L456-I481 HydrophobicContact CD1-CG2 4.27Å; T477-I481 HydrophobicContact CG2-CD1 3.93Å; T477-I481 HydrophobicContact CG2-CG1 4.45Å; T477-I481 WeakPolarHBondContact O-CG1 3.44Å; T477-I481 PolarHBondContact O-N 3.28Å; A478-I481 PolarHBondContact O-N 2.96Å; I481-K483 VanDerWaalsContact C-N 3.27Å; I481-K483 PolarHBondContact O-N 3.28Å; I481-G484 PolarHBondContact O-N 3.25Å; I481-G484 VanDerWaalsContact O-N 3.12Å; I481-L485 HydrophobicContact CG2-CD1 3.97Å; I481-L485 PolarHBondContact O-N 3.39Å; I481-L572 HydrophobicContact CD1-CD2 4.36Å; I481-L572 HydrophobicContact CG2-CD2 3.85Å; I481-V574 HydrophobicContact CD1-CG2 3.99Å; I481-L608 HydrophobicContact CD1-CD1 4.14Å
482	L	98.6	Very high	97.6	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-60.3	-36.3	176.6	-71	-173.7	0	0	0	112.7	V466 A478 H479 N480 L485 Q486 Q487 E488 L491 I493	V466-L482 HydrophobicContact CG1-CD1 4.19Å; V466-L482 HydrophobicContact CG1-CD2 4.13Å; A478-L482 WeakPolarHBondContact O-CG 3.35Å; A478-L482 PolarHBondContact O-N 3.13Å; H479-L482 PolarHBondContact O-N 3.42Å; N480-L482 VanDerWaalsContact C-N 3.35Å; L482-L485 HydrophobicContact CD2-CD1 4.5Å; L482-L485 CarbonylContact O-C 3.59Å; L482-L485 PolarHBondContact O-N 2.88Å; L482-Q486 PolarHBondContact O-N 2.98Å; L482-Q487 HydrophobicContact CD2-CB 4.21Å; L482-Q487 PolarHBondContact O-N 3.05Å; L482-E488 HydrophobicContact CB-CB 4.03Å; L482-E488 PolarHBondContact O-N 3.24Å; L482-L491 HydrophobicContact CD1-CB 4.26Å; L482-L491 HydrophobicContact CD2-CB 4.01Å; L482-L491 HydrophobicContact CD2-CD1 3.88Å; L482-I493 HydrophobicContact CD1-CD1 3.92Å; L482-I493 HydrophobicContact CD1-CG1 3.7Å
483	K	98.5	Very high	97.7	Very high	80 Å²	80	37.7 Å²	37.7	35%	0.348	18%	0.179	S	C	.	.	H	α-helix	trans	-62.9	-44.3	172.7	-79.9	177.5	160.5	161	0	112.6	H479 N480 I481 L485 Q486 E488	H479-K483 WeakPolarHBondContact NE2-CE 3.25Å; H479-K483 PolarHBondContact NE2-NZ 3.19Å; H479-K483 PolarHBondContact O-N 3.32Å; N480-K483 WeakPolarHBondContact O-CB 3.27Å; N480-K483 PolarHBondContact O-N 3.39Å; I481-K483 VanDerWaalsContact C-N 3.27Å; I481-K483 PolarHBondContact O-N 3.28Å; K483-L485 VanDerWaalsContact C-N 3.29Å; K483-L485 PolarHBondContact O-N 2.88Å; K483-Q486 PolarHBondContact O-N 3.41Å; K483-Q486 VanDerWaalsContact O-N 3.12Å; K483-E488 HydrophobicContact CG-CB 4.22Å; K483-E488 HydrophobicContact CG-CG 4.14Å
484	G	98.3	Very high	97.7	Very high	3 Å²	3	39.5 Å²	39.5	3%	0.031	19%	0.186	C	C	.	.	H	α-helix	trans	-63.5	-36.6	175.2	0	0	0	0	0	112.5	G453 N480 I481 Q486	G453-G484 CarbonylContact O-C 3.54Å; N480-G484 PolarHBondContact O-N 2.94Å; N480-G484 VanDerWaalsContact O-N 3.09Å; I481-G484 PolarHBondContact O-N 3.25Å; I481-G484 VanDerWaalsContact O-N 3.12Å; G484-Q486 PolarHBondContact O-N 2.95Å
485	L	97.7	Very high	97.7	Very high	7 Å²	7	40 Å²	40	4%	0.037	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-11.8	173.7	-81.5	170.7	0	0	0	114.4	G453 L456 L457 I463 I481 L482 K483 Q487	G453-L485 WeakPolarHBondContact O-CD2 3.46Å; L456-L485 HydrophobicContact CB-CD2 3.54Å; L456-L485 HydrophobicContact CB-CG 4.26Å; L456-L485 HydrophobicContact CD1-CD1 4.36Å; L457-L485 HydrophobicContact CB-CD2 4.26Å; I463-L485 HydrophobicContact CB-CD1 4.3Å; I463-L485 HydrophobicContact CG1-CD1 3.85Å; I481-L485 HydrophobicContact CG2-CD1 3.97Å; I481-L485 PolarHBondContact O-N 3.39Å; L482-L485 HydrophobicContact CD2-CD1 4.5Å; L482-L485 CarbonylContact O-C 3.59Å; L482-L485 PolarHBondContact O-N 2.88Å; K483-L485 VanDerWaalsContact C-N 3.29Å; K483-L485 PolarHBondContact O-N 2.88Å; L485-Q487 HydrophobicContact CB-CB 4.2Å; L485-Q487 HydrophobicContact CB-CG 4Å; L485-Q487 PolarHBondContact O-N 3.34Å
486	Q	98	Very high	97.7	Very high	136 Å²	136	40 Å²	40	64%	0.636	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.6	35	-170.4	-51.9	176.2	9.5	0	0	113	L457 L482 K483 G484	L457-Q486 HydrophobicContact CD2-CG 4.02Å; L482-Q486 PolarHBondContact O-N 2.98Å; K483-Q486 PolarHBondContact O-N 3.41Å; K483-Q486 VanDerWaalsContact O-N 3.12Å; G484-Q486 PolarHBondContact O-N 2.95Å
487	Q	96.6	Very high	97.6	Very high	68 Å²	68	39.4 Å²	39.4	32%	0.318	19%	0.187	S	C	.	.			trans	-117.6	6.3	-176.7	-66.2	-55.9	-47.4	0	0	113.6	L482 L485 N489 H490 L491	L482-Q487 HydrophobicContact CD2-CB 4.21Å; L482-Q487 PolarHBondContact O-N 3.05Å; L485-Q487 HydrophobicContact CB-CB 4.2Å; L485-Q487 HydrophobicContact CB-CG 4Å; L485-Q487 PolarHBondContact O-N 3.34Å; Q487-N489 PolarHBondContact O-N 2.91Å; Q487-N489 VanDerWaalsContact O-N 3.12Å; Q487-H490 PolarHBondContact O-N 3.44Å; Q487-L491 HydrophobicContact CB-CD1 3.9Å; Q487-L491 HydrophobicContact CB-CG 4.12Å; Q487-L491 HydrophobicContact CG-CD1 4.29Å; Q487-L491 PolarHBondContact O-N 3.31Å
488	E	93.2	Very high	97.6	Very high	44 Å²	44	39.4 Å²	39.4	21%	0.206	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-20.9	-174.3	70.7	-88.5	-148.1	0	0	114.6	L482 K483 S526	L482-E488 HydrophobicContact CB-CB 4.03Å; L482-E488 PolarHBondContact O-N 3.24Å; K483-E488 HydrophobicContact CG-CB 4.22Å; K483-E488 HydrophobicContact CG-CG 4.14Å; E488-S526 WeakPolarHBondContact O-CB 3.24Å; E488-S526 PolarHBondContact O-OG 3.2Å
489	N	92.7	Very high	97.6	Very high	129 Å²	129	39.5 Å²	39.5	69%	0.69	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-16.5	176.4	-65.6	-44.2	0	0	0	112.9	Q487	Q487-N489 PolarHBondContact O-N 2.91Å; Q487-N489 VanDerWaalsContact O-N 3.12Å
490	H	94	Very high	97.6	Very high	144 Å²	144	39 Å²	39	67%	0.667	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.6	-47.9	-174.4	-69.3	-79.1	0	0	0	112.2	Q487	Q487-H490 PolarHBondContact O-N 3.44Å
491	L	96.8	Very high	97.5	Very high	29 Å²	29	40.1 Å²	40.1	15%	0.152	19%	0.19	C	C	.	.			trans	-90.7	143.7	178.5	-62.6	177.6	0	0	0	110.8	I463 D464 V466 L482 Q487	I463-L491 HydrophobicContact CG2-CD1 4.47Å; I463-L491 VanDerWaalsContact O-CD1 3.3Å; I463-L491 WeakPolarHBondContact O-CD1 3.43Å; D464-L491 WeakPolarHBondContact O-CD2 3.38Å; V466-L491 HydrophobicContact CG1-CB 4.4Å; L482-L491 HydrophobicContact CD1-CB 4.26Å; L482-L491 HydrophobicContact CD2-CB 4.01Å; L482-L491 HydrophobicContact CD2-CD1 3.88Å; Q487-L491 HydrophobicContact CB-CD1 3.9Å; Q487-L491 HydrophobicContact CB-CG 4.12Å; Q487-L491 HydrophobicContact CG-CD1 4.29Å; Q487-L491 PolarHBondContact O-N 3.31Å
492	K	98.3	Very high	97.5	Very high	102 Å²	102	40.8 Å²	40.8	44%	0.443	19%	0.192	S	C	.	.			trans	-115.8	134.1	175	-59.3	-62.5	-178.9	-169.8	0	110.1	R494 S526 D528	K492-R494 PolarHBondContact O-N 3.49Å; K492-S526 CarbonylContact C-O 3.45Å; K492-S526 VanDerWaalsContact CA-O 3.31Å; K492-S526 WeakPolarHBondContact CA-O 3.45Å; K492-D528 HydrophobicContact CB-CB 3.65Å
493	I	98.8	Very high	97.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	120.3	-176	-62.3	162.5	0	0	0	109.6	V466 C468 A478 H479 L482 L525 S526 D528	V466-I493 HydrophobicContact CG1-CG1 3.94Å; V466-I493 HydrophobicContact CG2-CG1 4.38Å; C468-I493 HydrophobicContact CB-CG2 4Å; C468-I493 WeakPolarHBondContact SG-CG2 3.3Å; A478-I493 HydrophobicContact CB-CD1 3.72Å; A478-I493 HydrophobicContact CB-CG1 4.14Å; A478-I493 HydrophobicContact CB-CG2 4.15Å; H479-I493 HydrophobicContact CB-CD1 3.98Å; L482-I493 HydrophobicContact CD1-CD1 3.92Å; L482-I493 HydrophobicContact CD1-CG1 3.7Å; I493-L525 WeakPolarHBondContact CD1-O 3.45Å; I493-S526 PolarHBondContact N-O 3.24Å; I493-D528 PolarHBondContact O-N 2.96Å
494	R	98.8	Very high	97	Very high	44 Å²	44	43 Å²	43	17%	0.166	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	109.7	175.9	-66.9	179.6	-179.2	146.7	16.7	110	H465 V466 Y467 C468 K492 E496 D528 Y531	H465-R494 PolarHBondContact ND1-NH1 2.92Å; H465-R494 PolarHBondContact ND1-NH2 2.99Å; V466-R494 PolarHBondContact O-N 3Å; Y467-R494 CarbonylContact C-O 3.53Å; Y467-R494 VanDerWaalsContact CA-O 3.3Å; Y467-R494 WeakPolarHBondContact CA-O 3.05Å; Y467-R494 HydrophobicContact CD1-CB 3.56Å; Y467-R494 HydrophobicContact CE1-CB 3.75Å; Y467-R494 HydrophobicContact CE1-CG 4.28Å; Y467-R494 HydrophobicContact CG-CB 4.05Å; Y467-R494 PolarHBondContact OH-NH1 3.44Å; C468-R494 PolarHBondContact N-O 2.88Å; K492-R494 PolarHBondContact O-N 3.49Å; R494-E496 PolarHBondContact O-N 3.37Å; R494-D528 HydrophobicContact CG-CB 4.37Å; R494-Y531 HydrophobicContact CB-CD1 3.75Å; R494-Y531 HydrophobicContact CB-CD2 3.94Å; R494-Y531 HydrophobicContact CB-CE1 3.96Å; R494-Y531 HydrophobicContact CB-CE2 4.16Å; R494-Y531 HydrophobicContact CB-CG 3.73Å; R494-Y531 HydrophobicContact CG-CD1 4.3Å; R494-Y531 HydrophobicContact CG-CD2 3.71Å; R494-Y531 HydrophobicContact CG-CE2 4.25Å; R494-Y531 HydrophobicContact CG-CG 3.75Å
495	V	98.8	Very high	96.5	Very high	12 Å²	12	47.3 Å²	47.3	7%	0.073	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	111.6	-179.4	-179.3	0	0	0	0	109.8	P470 V475 L520 V527 Y531	P470-V495 HydrophobicContact CB-CG1 3.83Å; V475-V495 HydrophobicContact CG2-CG2 4.47Å; V495-L520 HydrophobicContact CG2-CD1 4.27Å; V495-V527 HydrophobicContact CG2-CG1 3.79Å; V495-V527 HydrophobicContact CG2-CG2 4.3Å; V495-Y531 WeakPolarHBondContact O-CD1 3.35Å; V495-Y531 WeakPolarHBondContact O-CE1 3.41Å
496	E	98.8	Very high	96	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	22%	0.221	C	C	.	.			trans	-117.3	105.1	-175.5	174.4	53.8	-107.7	0	0	110.8	Y467 C468 P470 R494 G498 L499 Y531 P533 H534 I535 V556 I560	Y467-E496 HydrophobicContact CD1-CB 4.35Å; C468-E496 PolarHBondContact O-N 3.3Å; P470-E496 WeakPolarHBondContact CD-O 3.27Å; R494-E496 PolarHBondContact O-N 3.37Å; E496-G498 PolarHBondContact O-N 2.85Å; E496-G498 WeakPolarHBondContact OE1-CA 3.37Å; E496-G498 PolarHBondContact OE1-N 3.08Å; E496-L499 HydrophobicContact CB-CD1 3.82Å; E496-L499 HydrophobicContact CB-CG 4.1Å; E496-L499 HydrophobicContact CG-CD1 4.01Å; E496-L499 HydrophobicContact CG-CG 3.81Å; E496-L499 WeakPolarHBondContact O-CB 3.33Å; E496-L499 PolarHBondContact O-N 3.15Å; E496-Y531 HydrophobicContact CB-CE1 4.25Å; E496-Y531 PolarHBondContact OE2-OH 3Å; E496-P533 WeakPolarHBondContact OE2-CA 3.38Å; E496-H534 IonicContact OE2-CD2 2.82Å; E496-H534 PolarHBondContact OE2-CD2 3.16Å; E496-H534 IonicContact OE2-CG 3.32Å; E496-H534 PolarHBondContact OE2-N 3.43Å; E496-I535 PolarHBondContact OE1-N 3.4Å; E496-V556 VanDerWaalsContact CD-CG2 3.44Å; E496-V556 HydrophobicContact CG-CG2 3.37Å; E496-I560 HydrophobicContact CG-CD1 4.48Å
497	P	98.6	Very high	95	Very high	7 Å²	7	44.8 Å²	44.8	5%	0.045	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-60	-26.8	176.8	-19.1	30.5	0	0	0	114.4	P470 L499 F500 P533 I535 V537 L540	P470-P497 HydrophobicContact CG-CB 4.17Å; P497-L499 PolarHBondContact O-N 2.91Å; P497-L499 VanDerWaalsContact O-N 3.08Å; P497-F500 WeakPolarHBondContact O-CB 3.48Å; P497-F500 PolarHBondContact O-N 3.4Å; P497-P533 VanDerWaalsContact CD-CB 3.46Å; P497-P533 HydrophobicContact CG-CB 4.34Å; P497-I535 VanDerWaalsContact CB-O 3.24Å; P497-I535 WeakPolarHBondContact CB-O 3.36Å; P497-I535 WeakPolarHBondContact CD-O 3.45Å; P497-I535 WeakPolarHBondContact CG-O 3.3Å; P497-V537 HydrophobicContact CB-CG2 4Å; P497-V537 HydrophobicContact CG-CG2 3.71Å; P497-L540 HydrophobicContact CB-CD1 3.83Å
498	G	98.3	Very high	94.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-58.3	-18	171.3	0	0	0	0	0	114.5	E496 R552	E496-G498 PolarHBondContact O-N 2.85Å; E496-G498 WeakPolarHBondContact OE1-CA 3.37Å; E496-G498 PolarHBondContact OE1-N 3.08Å; G498-R552 PolarHBondContact O-NH1 3.05Å
499	L	98.8	Very high	93.9	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.01	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-92.8	3	175.1	-59.5	171	0	0	0	113.3	E496 P497 V556 I560 I573 A575 H576	E496-L499 HydrophobicContact CB-CD1 3.82Å; E496-L499 HydrophobicContact CB-CG 4.1Å; E496-L499 HydrophobicContact CG-CD1 4.01Å; E496-L499 HydrophobicContact CG-CG 3.81Å; E496-L499 WeakPolarHBondContact O-CB 3.33Å; E496-L499 PolarHBondContact O-N 3.15Å; P497-L499 PolarHBondContact O-N 2.91Å; P497-L499 VanDerWaalsContact O-N 3.08Å; L499-V556 HydrophobicContact CD2-CG1 3.7Å; L499-V556 HydrophobicContact CG-CG1 4.34Å; L499-I560 HydrophobicContact CD1-CD1 4.05Å; L499-I560 HydrophobicContact CD2-CD1 4.37Å; L499-I560 HydrophobicContact CG-CD1 4.49Å; L499-I573 HydrophobicContact CD1-CG1 4.43Å; L499-I573 HydrophobicContact CD1-CG2 4Å; L499-I573 HydrophobicContact CD2-CD1 4.1Å; L499-I573 HydrophobicContact CD2-CG2 4.17Å; L499-A575 HydrophobicContact CB-CB 4.43Å; L499-H576 PolarHBondContact O-CD2 3.36Å
500	F	98.7	Very high	93.8	Very high	2 Å²	2	44.8 Å²	44.8	1%	0.009	25%	0.247	C	C	.	.	S	Bend	trans	-64.2	147.5	172.7	-174.1	-113.3	0	0	0	111.5	S469 P470 S471 P497 T503 V506 P512 W514 L540 R552 H576	S469-F500 WeakPolarHBondContact OG-CA 3.36Å; P470-F500 HydrophobicContact CG-CB 4.34Å; S471-F500 WeakPolarHBondContact OG-CD2 3.43Å; S471-F500 VanDerWaalsContact OG-CE2 3.22Å; S471-F500 WeakPolarHBondContact OG-CE2 3.41Å; P497-F500 WeakPolarHBondContact O-CB 3.48Å; P497-F500 PolarHBondContact O-N 3.4Å; F500-T503 HydrophobicContact CD1-CG2 3.92Å; F500-T503 HydrophobicContact CE1-CG2 4.01Å; F500-V506 HydrophobicContact CE1-CG2 3.62Å; F500-V506 HydrophobicContact CZ-CG2 3.66Å; F500-P512 HydrophobicContact CZ-CG 4.13Å; F500-W514 HydrophobicContact CB-CZ2 4.44Å; F500-W514 HydrophobicContact CD1-CH2 4.01Å; F500-W514 AromaticContact CD1-CZ2 3.71Å; F500-W514 HydrophobicContact CD1-CZ2 3.71Å; F500-W514 HydrophobicContact CD2-CH2 4.49Å; F500-W514 AromaticContact CD2-CZ2 3.57Å; F500-W514 HydrophobicContact CD2-CZ2 3.57Å; F500-W514 HydrophobicContact CE1-CH2 4.3Å; F500-W514 AromaticContact CE1-CZ2 3.76Å; F500-W514 HydrophobicContact CE1-CZ2 3.76Å; F500-W514 AromaticContact CE2-CZ2 3.64Å; F500-W514 HydrophobicContact CE2-CZ2 3.64Å; F500-W514 AromaticContact CE2-NE1 4Å; F500-W514 HydrophobicContact CG-CH2 4.11Å; F500-W514 AromaticContact CG-CZ2 3.61Å; F500-W514 HydrophobicContact CG-CZ2 3.61Å; F500-W514 AromaticContact CZ-CZ2 3.74Å; F500-W514 HydrophobicContact CZ-CZ2 3.74Å; F500-L540 HydrophobicContact CB-CD1 4.19Å; F500-L540 HydrophobicContact CD1-CD1 4.47Å; F500-R552 VanDerWaalsContact O-CZ 3.29Å; F500-R552 PolarHBondContact O-NH1 3.38Å; F500-R552 PolarHBondContact O-NH2 3.08Å; F500-H576 AromaticContact CD2-NE2 3.84Å
501	E	97.2	Very high	93.8	Very high	32 Å²	32	39.5 Å²	39.5	15%	0.15	22%	0.224	C	C	.	.			trans	-61.4	172.6	-179.6	66	-168.1	143.6	0	0	112.5	R473 T503 W505 R552 H576	R473-E501 IonicContact CZ-OE1 3.86Å; R473-E501 IonicContact NH2-OE1 3.34Å; R473-E501 PolarHBondContact NH2-OE1 3.26Å; R473-E501 IonicContact NH2-OE2 3.53Å; E501-T503 PolarHBondContact O-N 2.87Å; E501-W505 HydrophobicContact CB-CE3 4.15Å; E501-W505 HydrophobicContact CB-CZ3 4.3Å; E501-W505 HydrophobicContact CG-CE3 4.32Å; E501-R552 PolarHBondContact O-NH2 2.64Å; E501-H576 HydrophobicContact CB-CB 4.02Å; E501-H576 PolarHBondContact N-CD2 2.74Å; E501-H576 PolarHBondContact N-NE2 2.78Å; E501-H576 IonicContact OE2-ND1 3.09Å
502	W	97.6	Very high	93.7	Very high	14 Å²	14	38.5 Å²	38.5	5%	0.053	22%	0.219	C	C	.	.			trans	-58.2	115.4	179.3	-175	18.4	0	0	0	110.4	K504 W505 E544 S545 Y549 V599	W502-K504 HydrophobicContact CD2-CB 3.84Å; W502-K504 HydrophobicContact CG-CB 4.09Å; W502-K504 HydrophobicContact CH2-CD 3.65Å; W502-K504 HydrophobicContact CZ2-CB 3.96Å; W502-K504 HydrophobicContact CZ2-CD 3.32Å; W502-K504 HydrophobicContact CZ2-CG 4.24Å; W502-K504 HydrophobicContact CZ3-CD 4.38Å; W502-K504 PolarHBondContact O-N 3.3Å; W502-W505 HydrophobicContact CB-CD2 4.2Å; W502-W505 HydrophobicContact CB-CE3 4.15Å; W502-W505 HydrophobicContact CB-CH2 4.47Å; W502-W505 HydrophobicContact CB-CZ3 4.29Å; W502-W505 AromaticContact CE3-CE2 3.67Å; W502-W505 AromaticContact CE3-CZ2 3.73Å; W502-W505 HydrophobicContact CE3-CZ2 3.73Å; W502-W505 AromaticContact CE3-NE1 3.62Å; W502-W505 HydrophobicContact CZ3-CZ2 4.45Å; W502-W505 PolarHBondContact O-N 3.44Å; W502-E544 PolarHBondContact NE1-O 3.28Å; W502-S545 PolarHBondContact NE1-O 3.41Å; W502-Y549 HydrophobicContact CB-CD1 3.96Å; W502-Y549 HydrophobicContact CB-CD2 3.91Å; W502-Y549 HydrophobicContact CB-CE1 4.3Å; W502-Y549 HydrophobicContact CB-CE2 4.24Å; W502-Y549 HydrophobicContact CB-CG 3.76Å; W502-Y549 HydrophobicContact CG-CD1 4.25Å; W502-Y549 AromaticContact CG-CG 3.99Å; W502-Y549 HydrophobicContact CG-CG 3.99Å; W502-V599 HydrophobicContact CZ3-CG2 4.26Å
503	T	95.3	Very high	93.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	22%	0.219	C	C	.	.	G	3₁₀ helix	trans	-65.7	-12.2	-170.5	62.9	0	0	0	0	113.5	F500 E501 W505 V506 L511 V541 S543 E544	F500-T503 HydrophobicContact CD1-CG2 3.92Å; F500-T503 HydrophobicContact CE1-CG2 4.01Å; E501-T503 PolarHBondContact O-N 2.87Å; T503-W505 PolarHBondContact O-N 3.27Å; T503-V506 WeakPolarHBondContact O-CB 3.31Å; T503-V506 PolarHBondContact O-N 2.87Å; T503-V506 VanDerWaalsContact O-N 3.1Å; T503-L511 HydrophobicContact CG2-CD2 3.8Å; T503-V541 WeakPolarHBondContact CB-O 3.46Å; T503-V541 WeakPolarHBondContact CG2-O 3.49Å; T503-V541 PolarHBondContact OG1-O 3.48Å; T503-S543 PolarHBondContact OG1-N 2.99Å; T503-E544 WeakPolarHBondContact CG2-OE1 3.27Å; T503-E544 PolarHBondContact N-OE1 3.03Å; T503-E544 VanDerWaalsContact N-OE1 3.16Å; T503-E544 VanDerWaalsContact OG1-CG 3.25Å; T503-E544 WeakPolarHBondContact OG1-CG 3.27Å; T503-E544 PolarHBondContact OG1-N 3.48Å; T503-E544 PolarHBondContact OG1-OE1 2.71Å
504	K	91.5	Very high	93.5	Very high	127 Å²	127	37.7 Å²	37.7	55%	0.552	23%	0.225	S	C	*	.	G	3₁₀ helix	trans	-60.5	-23.8	169.6	-171.5	170.7	-174	160	0	113.4	W502 V506	W502-K504 HydrophobicContact CD2-CB 3.84Å; W502-K504 HydrophobicContact CG-CB 4.09Å; W502-K504 HydrophobicContact CH2-CD 3.65Å; W502-K504 HydrophobicContact CZ2-CB 3.96Å; W502-K504 HydrophobicContact CZ2-CD 3.32Å; W502-K504 HydrophobicContact CZ2-CG 4.24Å; W502-K504 HydrophobicContact CZ3-CD 4.38Å; W502-K504 PolarHBondContact O-N 3.3Å; K504-V506 VanDerWaalsContact C-N 3.32Å
505	W	88.9	Confident	93.5	Very high	95 Å²	95	36 Å²	36	36%	0.36	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-84	-7	176.3	-59.6	-28.1	0	0	0	113.5	E501 W502 T503 F598 V599 V602	E501-W505 HydrophobicContact CB-CE3 4.15Å; E501-W505 HydrophobicContact CB-CZ3 4.3Å; E501-W505 HydrophobicContact CG-CE3 4.32Å; W502-W505 HydrophobicContact CB-CD2 4.2Å; W502-W505 HydrophobicContact CB-CE3 4.15Å; W502-W505 HydrophobicContact CB-CH2 4.47Å; W502-W505 HydrophobicContact CB-CZ3 4.29Å; W502-W505 AromaticContact CE3-CE2 3.67Å; W502-W505 AromaticContact CE3-CZ2 3.73Å; W502-W505 HydrophobicContact CE3-CZ2 3.73Å; W502-W505 AromaticContact CE3-NE1 3.62Å; W502-W505 HydrophobicContact CZ3-CZ2 4.45Å; W502-W505 PolarHBondContact O-N 3.44Å; T503-W505 PolarHBondContact O-N 3.27Å; W505-F598 HydrophobicContact CH2-CE1 4.17Å; W505-V599 HydrophobicContact CZ2-CG2 4.11Å; W505-V602 HydrophobicContact CH2-CG1 3.93Å; W505-V602 HydrophobicContact CH2-CG2 4.43Å; W505-V602 HydrophobicContact CZ3-CG1 4.4Å
506	V	86.9	Confident	93.4	Very high	17 Å²	17	37.8 Å²	37.8	10%	0.103	23%	0.231	C	C	.	.	S	Bend	trans	-77.2	129.6	175.9	-179.4	0	0	0	0	109.7	F500 T503 K504 P512	F500-V506 HydrophobicContact CE1-CG2 3.62Å; F500-V506 HydrophobicContact CZ-CG2 3.66Å; T503-V506 WeakPolarHBondContact O-CB 3.31Å; T503-V506 PolarHBondContact O-N 2.87Å; T503-V506 VanDerWaalsContact O-N 3.1Å; K504-V506 VanDerWaalsContact C-N 3.32Å; V506-P512 HydrophobicContact CG1-CG 4.32Å
507	A	77.6	Confident	93.3	Very high	72 Å²	72	40.3 Å²	40.3	60%	0.595	25%	0.247	S	C	*	.			trans	-70.9	132.4	175.9	0	0	0	0	0	112.2	K437	K437-A507 WeakPolarHBondContact CE-O 3.36Å; K437-A507 PolarHBondContact NZ-O 3.16Å
508	G	82	Confident	93.2	Very high	58 Å²	58	43.6 Å²	43.6	60%	0.598	27%	0.27	S	S	*	.	S	Bend	trans	86.8	-162.1	173.7	0	0	0	0	0	114.5
509	S	84.9	Confident	93.2	Very high	104 Å²	104	46.9 Å²	46.9	73%	0.727	29%	0.286	S	S	*	.	S	Bend	trans	-100.7	6.6	-173.4	54.6	0	0	0	0	114.4
510	T	90.2	Very high	93.1	Very high	80 Å²	80	46.9 Å²	46.9	49%	0.491	29%	0.286	S	S	.	.	S	Bend	trans	-134.1	142.3	-177.1	57.3	0	0	0	0	111.2	K437	K437-T510 PolarHBondContact NZ-O 3.29Å; K437-T510 PolarHBondContact NZ-OG1 3.26Å
511	L	93.7	Very high	93	Very high	32 Å²	32	48.4 Å²	48.4	17%	0.168	30%	0.299	C	S	.	.			trans	-62.6	156.8	170.9	-63.5	175.2	0	0	0	110.6	T503 W514 L540 V542	T503-L511 HydrophobicContact CG2-CD2 3.8Å; L511-W514 HydrophobicContact CB-CH2 4.05Å; L511-W514 HydrophobicContact CB-CZ3 4.31Å; L511-W514 HydrophobicContact CD1-CH2 3.96Å; L511-W514 HydrophobicContact CD1-CZ3 4.1Å; L511-W514 HydrophobicContact CD2-CH2 4.36Å; L511-W514 HydrophobicContact CG-CH2 4.34Å; L511-L540 HydrophobicContact CD1-CB 3.67Å; L511-L540 HydrophobicContact CD1-CD1 4.5Å; L511-V542 HydrophobicContact CD2-CG2 4.1Å; L511-V542 HydrophobicContact CG-CG2 3.9Å
512	P	95.1	Very high	92.9	Very high	8 Å²	8	50.8 Å²	50.8	5%	0.052	32%	0.323	C	S	.	.			trans	-57.8	143.5	173.5	-19.9	31.7	0	0	0	111.5	K437 D438 F500 V506 W514	K437-P512 HydrophobicContact CB-CB 4.01Å; K437-P512 HydrophobicContact CB-CG 4.24Å; K437-P512 WeakPolarHBondContact O-CG 3.17Å; D438-P512 HydrophobicContact CB-CB 4.15Å; F500-P512 HydrophobicContact CZ-CG 4.13Å; V506-P512 HydrophobicContact CG1-CG 4.32Å; P512-W514 HydrophobicContact CG-CZ2 4.2Å; P512-W514 PolarHBondContact O-N 3.43Å
513	A	95.3	Very high	92.7	Very high	54 Å²	54	51.9 Å²	51.9	45%	0.446	34%	0.335	S	S	.	.			trans	-77.4	68.7	178.5	0	0	0	0	0	110.9	R428	R428-A513 PolarHBondContact NH2-O 3.49Å
514	W	97.5	Very high	92.8	Very high	31 Å²	31	58.1 Å²	58.1	12%	0.117	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-55.9	143.9	-174.6	-60.7	-58.6	0	0	0	113.3	P470 F500 L511 P512 V537 L540	P470-W514 HydrophobicContact CB-CB 4.25Å; P470-W514 HydrophobicContact CB-CD2 3.92Å; P470-W514 HydrophobicContact CB-CE3 4.34Å; P470-W514 HydrophobicContact CB-CG 3.87Å; P470-W514 HydrophobicContact CG-CD2 3.87Å; P470-W514 HydrophobicContact CG-CE3 4.17Å; P470-W514 HydrophobicContact CG-CG 4.28Å; P470-W514 HydrophobicContact CG-CH2 4.44Å; P470-W514 HydrophobicContact CG-CZ2 4.16Å; P470-W514 HydrophobicContact CG-CZ3 4.43Å; F500-W514 HydrophobicContact CB-CZ2 4.44Å; F500-W514 HydrophobicContact CD1-CH2 4.01Å; F500-W514 AromaticContact CD1-CZ2 3.71Å; F500-W514 HydrophobicContact CD1-CZ2 3.71Å; F500-W514 HydrophobicContact CD2-CH2 4.49Å; F500-W514 AromaticContact CD2-CZ2 3.57Å; F500-W514 HydrophobicContact CD2-CZ2 3.57Å; F500-W514 HydrophobicContact CE1-CH2 4.3Å; F500-W514 AromaticContact CE1-CZ2 3.76Å; F500-W514 HydrophobicContact CE1-CZ2 3.76Å; F500-W514 AromaticContact CE2-CZ2 3.64Å; F500-W514 HydrophobicContact CE2-CZ2 3.64Å; F500-W514 AromaticContact CE2-NE1 4Å; F500-W514 HydrophobicContact CG-CH2 4.11Å; F500-W514 AromaticContact CG-CZ2 3.61Å; F500-W514 HydrophobicContact CG-CZ2 3.61Å; F500-W514 AromaticContact CZ-CZ2 3.74Å; F500-W514 HydrophobicContact CZ-CZ2 3.74Å; L511-W514 HydrophobicContact CB-CH2 4.05Å; L511-W514 HydrophobicContact CB-CZ3 4.31Å; L511-W514 HydrophobicContact CD1-CH2 3.96Å; L511-W514 HydrophobicContact CD1-CZ3 4.1Å; L511-W514 HydrophobicContact CD2-CH2 4.36Å; L511-W514 HydrophobicContact CG-CH2 4.34Å; P512-W514 HydrophobicContact CG-CZ2 4.2Å; P512-W514 PolarHBondContact O-N 3.43Å; W514-V537 HydrophobicContact CE3-CB 4.45Å; W514-V537 HydrophobicContact CE3-CG1 3.99Å; W514-V537 HydrophobicContact CE3-CG2 3.67Å; W514-V537 HydrophobicContact CZ3-CB 4.2Å; W514-V537 HydrophobicContact CZ3-CG1 3.68Å; W514-V537 HydrophobicContact CZ3-CG2 3.74Å; W514-L540 HydrophobicContact CH2-CD1 3.63Å; W514-L540 HydrophobicContact CZ3-CD1 3.97Å
515	I	97.4	Very high	93	Very high	10 Å²	10	52.9 Å²	52.9	5%	0.051	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-68.8	128	175.2	-52.5	-174.9	0	0	0	108.6	P426 R428 L472 E519 L520	P426-I515 HydrophobicContact CB-CD1 4.04Å; P426-I515 HydrophobicContact CG-CD1 4.43Å; R428-I515 HydrophobicContact CG-CD1 3.92Å; R428-I515 HydrophobicContact CG-CG1 4.18Å; L472-I515 HydrophobicContact CD1-CD1 4.12Å; L472-I515 HydrophobicContact CD2-CD1 4.37Å; I515-E519 HydrophobicContact CG2-CB 3.45Å; I515-E519 VanDerWaalsContact CG2-CB 3.45Å; I515-L520 HydrophobicContact CB-CD2 3.78Å; I515-L520 HydrophobicContact CB-CG 3.94Å; I515-L520 HydrophobicContact CD1-CD2 4.3Å; I515-L520 HydrophobicContact CG2-CD2 3.84Å; I515-L520 HydrophobicContact CG2-CG 3.76Å; I515-L520 WeakPolarHBondContact O-CD1 2.95Å
516	P	96.9	Very high	93.3	Very high	49 Å²	49	49.2 Å²	49.2	32%	0.318	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-67.6	153.6	-179.5	27.4	-33.9	0	0	0	111.7	S518 E519 L520	P516-S518 PolarHBondContact O-N 2.95Å; P516-S518 VanDerWaalsContact O-N 3.07Å; P516-E519 HydrophobicContact CG-CB 3.97Å; P516-E519 HydrophobicContact CG-CG 3.81Å; P516-E519 WeakPolarHBondContact CG-OE1 3.3Å; P516-E519 PolarHBondContact O-N 3.18Å; P516-L520 PolarHBondContact O-N 3.37Å
517	P	97.8	Very high	93.9	Very high	53 Å²	53	48.8 Å²	48.8	34%	0.344	33%	0.333	S	S	.	.	H	α-helix	trans	-50.9	-35.5	-179.7	-31.4	37.2	0	0	0	115.1	L520 A521 V527	P517-L520 PolarHBondContact O-N 3.19Å; P517-A521 WeakPolarHBondContact O-CB 3.34Å; P517-A521 PolarHBondContact O-N 3.16Å; P517-V527 HydrophobicContact CB-CG1 3.78Å
518	S	96.7	Very high	94.8	Very high	76 Å²	76	46.8 Å²	46.8	53%	0.531	31%	0.312	S	S	.	.	H	α-helix	trans	-64.1	-42.5	176.8	49.8	0	0	0	0	113.1	P516 A522	P516-S518 PolarHBondContact O-N 2.95Å; P516-S518 VanDerWaalsContact O-N 3.07Å; S518-A522 PolarHBondContact O-N 3.43Å
519	E	96.9	Very high	95.6	Very high	69 Å²	69	48.1 Å²	48.1	32%	0.322	31%	0.309	S	S	.	.	H	α-helix	trans	-74.1	-35.6	177.5	-74.3	176.9	-146.1	0	0	111.5	I515 P516 A521 A522 A523	I515-E519 HydrophobicContact CG2-CB 3.45Å; I515-E519 VanDerWaalsContact CG2-CB 3.45Å; P516-E519 HydrophobicContact CG-CB 3.97Å; P516-E519 HydrophobicContact CG-CG 3.81Å; P516-E519 WeakPolarHBondContact CG-OE1 3.3Å; P516-E519 PolarHBondContact O-N 3.18Å; E519-A521 VanDerWaalsContact C-N 3.34Å; E519-A522 PolarHBondContact O-N 3.26Å; E519-A523 WeakPolarHBondContact O-CB 3.43Å; E519-A523 PolarHBondContact O-N 3.27Å
520	L	97.3	Very high	96.2	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.01	31%	0.307	C	S	.	.	H	α-helix	trans	-62.3	-41.4	172.6	-68.4	169.1	0	0	0	111.7	L472 V475 V495 I515 P516 P517 A523 N524 L525 V527	L472-L520 HydrophobicContact CD1-CD2 4.07Å; V475-L520 HydrophobicContact CG1-CD1 4.19Å; V475-L520 HydrophobicContact CG1-CD2 4.22Å; V475-L520 HydrophobicContact CG2-CD1 4Å; V495-L520 HydrophobicContact CG2-CD1 4.27Å; I515-L520 HydrophobicContact CB-CD2 3.78Å; I515-L520 HydrophobicContact CB-CG 3.94Å; I515-L520 HydrophobicContact CD1-CD2 4.3Å; I515-L520 HydrophobicContact CG2-CD2 3.84Å; I515-L520 HydrophobicContact CG2-CG 3.76Å; I515-L520 WeakPolarHBondContact O-CD1 2.95Å; P516-L520 PolarHBondContact O-N 3.37Å; P517-L520 PolarHBondContact O-N 3.19Å; L520-A523 CarbonylContact O-C 3.56Å; L520-A523 PolarHBondContact O-N 3Å; L520-N524 PolarHBondContact O-N 3.3Å; L520-L525 HydrophobicContact CD2-CD1 3.72Å; L520-L525 WeakPolarHBondContact O-CB 3.4Å; L520-L525 PolarHBondContact O-N 3.09Å; L520-L525 VanDerWaalsContact O-N 3.14Å; L520-V527 HydrophobicContact CB-CB 4.28Å; L520-V527 HydrophobicContact CB-CG2 3.68Å; L520-V527 HydrophobicContact CD1-CG2 4.27Å
521	A	96.1	Very high	96.6	Very high	34 Å²	34	46 Å²	46	28%	0.281	29%	0.289	S	S	.	.	H	α-helix	trans	-64.6	-42.4	174	0	0	0	0	0	111.7	P517 E519 A523 N524 T529	P517-A521 WeakPolarHBondContact O-CB 3.34Å; P517-A521 PolarHBondContact O-N 3.16Å; E519-A521 VanDerWaalsContact C-N 3.34Å; A521-A523 PolarHBondContact O-N 2.93Å; A521-N524 WeakPolarHBondContact O-CA 3.41Å; A521-N524 PolarHBondContact O-N 2.91Å; A521-T529 HydrophobicContact CB-CG2 3.74Å
522	A	95.4	Very high	96.8	Very high	81 Å²	81	54.9 Å²	54.9	67%	0.669	32%	0.32	S	S	*	.	H	α-helix	trans	-63.3	-27	174	0	0	0	0	0	113.1	S518 E519 N524	S518-A522 PolarHBondContact O-N 3.43Å; E519-A522 PolarHBondContact O-N 3.26Å; A522-N524 PolarHBondContact O-N 3.13Å
523	A	94.4	Very high	96.9	Very high	37 Å²	37	56.9 Å²	56.9	31%	0.306	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	11.1	171.5	0	0	0	0	0	113.9	P426 E519 L520 A521 L525	P426-A523 HydrophobicContact CB-CB 4.22Å; P426-A523 HydrophobicContact CG-CB 4.11Å; E519-A523 WeakPolarHBondContact O-CB 3.43Å; E519-A523 PolarHBondContact O-N 3.27Å; L520-A523 CarbonylContact O-C 3.56Å; L520-A523 PolarHBondContact O-N 3Å; A521-A523 PolarHBondContact O-N 2.93Å; A523-L525 HydrophobicContact CB-CD1 4.4Å; A523-L525 HydrophobicContact CB-CG 4.46Å; A523-L525 PolarHBondContact O-N 3.39Å
524	N	95.4	Very high	97.1	Very high	132 Å²	132	56.9 Å²	56.9	71%	0.706	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	34.6	179	-57.7	-53.8	0	0	0	114.9	H479 L520 A521 A522	H479-N524 PolarHBondContact CE1-O 3.18Å; L520-N524 PolarHBondContact O-N 3.3Å; A521-N524 WeakPolarHBondContact O-CA 3.41Å; A521-N524 PolarHBondContact O-N 2.91Å; A522-N524 PolarHBondContact O-N 3.13Å
525	L	96.3	Very high	97.1	Very high	16 Å²	16	56 Å²	56	8%	0.084	32%	0.321	C	S	.	.			trans	-96.7	27.4	-179.5	-64.3	172.1	0	0	0	114.3	L472 V475 Q476 H479 I493 L520 A523 V527	L472-L525 HydrophobicContact CD1-CD1 4.24Å; V475-L525 HydrophobicContact CG1-CB 4.11Å; V475-L525 HydrophobicContact CG1-CD1 4.18Å; Q476-L525 HydrophobicContact CG-CD1 4.36Å; Q476-L525 HydrophobicContact CG-CD2 4.23Å; H479-L525 HydrophobicContact CB-CD2 4.09Å; I493-L525 WeakPolarHBondContact CD1-O 3.45Å; L520-L525 HydrophobicContact CD2-CD1 3.72Å; L520-L525 WeakPolarHBondContact O-CB 3.4Å; L520-L525 PolarHBondContact O-N 3.09Å; L520-L525 VanDerWaalsContact O-N 3.14Å; A523-L525 HydrophobicContact CB-CD1 4.4Å; A523-L525 HydrophobicContact CB-CG 4.46Å; A523-L525 PolarHBondContact O-N 3.39Å; L525-V527 HydrophobicContact CB-CG2 4.33Å; L525-V527 WeakPolarHBondContact O-CG2 3.43Å; L525-V527 PolarHBondContact O-N 2.77Å
526	S	96.2	Very high	97.1	Very high	18 Å²	18	57.5 Å²	57.5	13%	0.126	33%	0.332	C	S	.	.			trans	47.6	33.4	175.3	-54.8	0	0	0	0	115.7	H479 E488 K492 I493	H479-S526 PolarHBondContact ND1-OG 3.42Å; E488-S526 WeakPolarHBondContact O-CB 3.24Å; E488-S526 PolarHBondContact O-OG 3.2Å; K492-S526 CarbonylContact C-O 3.45Å; K492-S526 VanDerWaalsContact CA-O 3.31Å; K492-S526 WeakPolarHBondContact CA-O 3.45Å; I493-S526 PolarHBondContact N-O 3.24Å
527	V	98.1	Very high	97	Very high	8 Å²	8	58.3 Å²	58.3	5%	0.048	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-81	143.5	-176.9	173.6	0	0	0	0	112.3	V475 V495 P517 L520 L525 T529	V475-V527 HydrophobicContact CG1-CG2 3.81Å; V495-V527 HydrophobicContact CG2-CG1 3.79Å; V495-V527 HydrophobicContact CG2-CG2 4.3Å; P517-V527 HydrophobicContact CB-CG1 3.78Å; L520-V527 HydrophobicContact CB-CB 4.28Å; L520-V527 HydrophobicContact CB-CG2 3.68Å; L520-V527 HydrophobicContact CD1-CG2 4.27Å; L525-V527 HydrophobicContact CB-CG2 4.33Å; L525-V527 WeakPolarHBondContact O-CG2 3.43Å; L525-V527 PolarHBondContact O-N 2.77Å; V527-T529 PolarHBondContact O-N 3.11Å
528	D	98.1	Very high	96.8	Very high	30 Å²	30	61 Å²	61	16%	0.16	36%	0.356	C	S	.	.			trans	-80.8	106	170	-170	-14.9	0	0	0	110.3	K492 I493 R494 T530 Y531	K492-D528 HydrophobicContact CB-CB 3.65Å; I493-D528 PolarHBondContact O-N 2.96Å; R494-D528 HydrophobicContact CG-CB 4.37Å; D528-T530 PolarHBondContact O-N 3.45Å; D528-T530 WeakPolarHBondContact OD1-CA 3.49Å; D528-T530 WeakPolarHBondContact OD1-CB 3.49Å; D528-T530 PolarHBondContact OD1-N 3.29Å; D528-T530 PolarHBondContact OD1-OG1 2.97Å; D528-Y531 PolarHBondContact OD1-N 3.5Å
529	T	97.9	Very high	96.8	Very high	87 Å²	87	64.3 Å²	64.3	53%	0.534	36%	0.36	S	S	.	.	S	Bend	trans	-78.4	-8.4	177.8	59.3	0	0	0	0	113.5	A521 V527	A521-T529 HydrophobicContact CB-CG2 3.74Å; V527-T529 PolarHBondContact O-N 3.11Å
530	T	97.9	Very high	96.7	Very high	112 Å²	112	61.6 Å²	61.6	69%	0.687	35%	0.348	S	S	*	.	S	Bend	trans	-96.9	-15.9	-179.4	72.2	0	0	0	0	112.8	D528	D528-T530 PolarHBondContact O-N 3.45Å; D528-T530 WeakPolarHBondContact OD1-CA 3.49Å; D528-T530 WeakPolarHBondContact OD1-CB 3.49Å; D528-T530 PolarHBondContact OD1-N 3.29Å; D528-T530 PolarHBondContact OD1-OG1 2.97Å
531	Y	98.1	Very high	96.4	Very high	28 Å²	28	65.8 Å²	65.8	11%	0.11	37%	0.374	C	S	.	.			trans	-60.3	134.7	178.3	178.2	-114.1	0	0	0	111.9	Y467 R494 V495 E496 D528 P533 H534	Y467-Y531 AromaticContact CE1-CE2 3.81Å; Y467-Y531 HydrophobicContact CE1-CE2 3.81Å; Y467-Y531 AromaticContact CE1-CZ 3.69Å; Y467-Y531 WeakPolarHBondContact CE1-OH 3.43Å; R494-Y531 HydrophobicContact CB-CD1 3.75Å; R494-Y531 HydrophobicContact CB-CD2 3.94Å; R494-Y531 HydrophobicContact CB-CE1 3.96Å; R494-Y531 HydrophobicContact CB-CE2 4.16Å; R494-Y531 HydrophobicContact CB-CG 3.73Å; R494-Y531 HydrophobicContact CG-CD1 4.3Å; R494-Y531 HydrophobicContact CG-CD2 3.71Å; R494-Y531 HydrophobicContact CG-CE2 4.25Å; R494-Y531 HydrophobicContact CG-CG 3.75Å; V495-Y531 WeakPolarHBondContact O-CD1 3.35Å; V495-Y531 WeakPolarHBondContact O-CE1 3.41Å; E496-Y531 HydrophobicContact CB-CE1 4.25Å; E496-Y531 PolarHBondContact OE2-OH 3Å; D528-Y531 PolarHBondContact OD1-N 3.5Å; Y531-P533 HydrophobicContact CE1-CB 4.13Å; Y531-H534 PolarHBondContact OH-CD2 3.27Å
532	R	97.8	Very high	96.2	Very high	218 Å²	218	66.3 Å²	66.3	82%	0.823	37%	0.373	S	S	*	.			trans	-107.8	114	174.4	-67.9	-175.3	179.5	-118.8	0.6	108.7
533	P	98.2	Very high	95.9	Very high	49 Å²	49	66 Å²	66	32%	0.318	37%	0.366	S	S	.	.			trans	-66.5	142.8	-178.4	27.2	-34.2	0	0	0	111.1	E496 P497 Y531 I535 P536	E496-P533 WeakPolarHBondContact OE2-CA 3.38Å; P497-P533 VanDerWaalsContact CD-CB 3.46Å; P497-P533 HydrophobicContact CG-CB 4.34Å; Y531-P533 HydrophobicContact CE1-CB 4.13Å; P533-I535 VanDerWaalsContact C-N 3.34Å; P533-P536 HydrophobicContact CG-CB 4.35Å
534	H	98.1	Very high	95.9	Very high	55 Å²	55	64.6 Å²	64.6	26%	0.255	35%	0.353	S	S	.	.	S	Bend	trans	-66.8	-40.5	173.8	-56	-70.5	0	0	0	111	E496 Y531 P536 V556 E559 E563	E496-H534 IonicContact OE2-CD2 2.82Å; E496-H534 PolarHBondContact OE2-CD2 3.16Å; E496-H534 IonicContact OE2-CG 3.32Å; E496-H534 PolarHBondContact OE2-N 3.43Å; Y531-H534 PolarHBondContact OH-CD2 3.27Å; H534-P536 WeakPolarHBondContact O-CD 3.15Å; H534-V556 HydrophobicContact CB-CG2 4.37Å; H534-E559 HydrophobicContact CB-CB 4.46Å; H534-E559 WeakPolarHBondContact CB-OE2 3.3Å; H534-E559 IonicContact CG-OE2 3.11Å; H534-E563 IonicContact CE1-OE2 2.77Å; H534-E563 IonicContact NE2-OE2 3.34Å; H534-E563 PolarHBondContact NE2-OE2 3.2Å
535	I	97.6	Very high	96	Very high	13 Å²	13	60.9 Å²	60.9	7%	0.067	34%	0.338	C	S	.	.	S	Bend	trans	-115.2	97	173.9	-55.8	-176.5	0	0	0	108.3	E496 P497 P533 K539 L540 R552 V556	E496-I535 PolarHBondContact OE1-N 3.4Å; P497-I535 VanDerWaalsContact CB-O 3.24Å; P497-I535 WeakPolarHBondContact CB-O 3.36Å; P497-I535 WeakPolarHBondContact CD-O 3.45Å; P497-I535 WeakPolarHBondContact CG-O 3.3Å; P533-I535 VanDerWaalsContact C-N 3.34Å; I535-K539 HydrophobicContact CG2-CB 4.01Å; I535-L540 HydrophobicContact CG2-CD2 4.22Å; I535-R552 HydrophobicContact CD1-CB 3.86Å; I535-V556 HydrophobicContact CD1-CB 4.26Å
536	P	97.3	Very high	95.9	Very high	41 Å²	41	61.1 Å²	61.1	27%	0.266	34%	0.338	S	S	.	.			trans	-66.4	158.1	175	27.8	-36.1	0	0	0	111.6	P533 H534 S538 K539	P533-P536 HydrophobicContact CG-CB 4.35Å; H534-P536 WeakPolarHBondContact O-CD 3.15Å; P536-S538 PolarHBondContact O-N 2.96Å; P536-S538 VanDerWaalsContact O-N 3.1Å; P536-K539 HydrophobicContact CG-CB 4.46Å; P536-K539 HydrophobicContact CG-CD 4.13Å; P536-K539 HydrophobicContact CG-CG 3.98Å; P536-K539 WeakPolarHBondContact O-CB 3.39Å; P536-K539 PolarHBondContact O-N 2.94Å
537	V	95.7	Very high	95.9	Very high	66 Å²	66	65.4 Å²	65.4	40%	0.4	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-49	-40.1	178.6	167.2	0	0	0	0	112.8	P497 W514 K539 L540	P497-V537 HydrophobicContact CB-CG2 4Å; P497-V537 HydrophobicContact CG-CG2 3.71Å; W514-V537 HydrophobicContact CE3-CB 4.45Å; W514-V537 HydrophobicContact CE3-CG1 3.99Å; W514-V537 HydrophobicContact CE3-CG2 3.67Å; W514-V537 HydrophobicContact CZ3-CB 4.2Å; W514-V537 HydrophobicContact CZ3-CG1 3.68Å; W514-V537 HydrophobicContact CZ3-CG2 3.74Å; V537-K539 PolarHBondContact O-N 2.83Å; V537-K539 VanDerWaalsContact O-N 3.15Å; V537-L540 WeakPolarHBondContact O-CB 3.49Å; V537-L540 PolarHBondContact O-N 3.5Å
538	S	94.2	Very high	95.8	Very high	110 Å²	110	68.3 Å²	68.3	77%	0.769	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-64.7	-15.9	-179.9	55.7	0	0	0	0	114.7	P536	P536-S538 PolarHBondContact O-N 2.96Å; P536-S538 VanDerWaalsContact O-N 3.1Å
539	K	95.6	Very high	95.8	Very high	144 Å²	144	66.9 Å²	66.9	63%	0.626	37%	0.369	S	S	*	.	G	3₁₀ helix	trans	-93	-8.3	175	-71.2	-169.2	-170.2	174.9	0	113.4	I535 P536 V537	I535-K539 HydrophobicContact CG2-CB 4.01Å; P536-K539 HydrophobicContact CG-CB 4.46Å; P536-K539 HydrophobicContact CG-CD 4.13Å; P536-K539 HydrophobicContact CG-CG 3.98Å; P536-K539 WeakPolarHBondContact O-CB 3.39Å; P536-K539 PolarHBondContact O-N 2.94Å; V537-K539 PolarHBondContact O-N 2.83Å; V537-K539 VanDerWaalsContact O-N 3.15Å
540	L	94.4	Very high	95.8	Very high	13 Å²	13	63 Å²	63	7%	0.068	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-78.1	127.6	173.6	-67.7	176.7	0	0	0	109.7	P497 F500 L511 W514 I535 V537	P497-L540 HydrophobicContact CB-CD1 3.83Å; F500-L540 HydrophobicContact CB-CD1 4.19Å; F500-L540 HydrophobicContact CD1-CD1 4.47Å; L511-L540 HydrophobicContact CD1-CB 3.67Å; L511-L540 HydrophobicContact CD1-CD1 4.5Å; W514-L540 HydrophobicContact CH2-CD1 3.63Å; W514-L540 HydrophobicContact CZ3-CD1 3.97Å; I535-L540 HydrophobicContact CG2-CD2 4.22Å; V537-L540 WeakPolarHBondContact O-CB 3.49Å; V537-L540 PolarHBondContact O-N 3.5Å
541	V	91.2	Very high	95.7	Very high	90 Å²	90	60.7 Å²	60.7	55%	0.545	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-95.2	135	179.1	-177.4	0	0	0	0	108.8	T503 E544	T503-V541 WeakPolarHBondContact CB-O 3.46Å; T503-V541 WeakPolarHBondContact CG2-O 3.49Å; T503-V541 PolarHBondContact OG1-O 3.48Å; V541-E544 HydrophobicContact CB-CB 4.45Å
542	V	92	Very high	95.7	Very high	45 Å²	45	60.2 Å²	60.2	27%	0.273	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	134.8	172.6	179.4	0	0	0	0	109	L511 E544	L511-V542 HydrophobicContact CD2-CG2 4.1Å; L511-V542 HydrophobicContact CG-CG2 3.9Å; V542-E544 PolarHBondContact O-N 3.02Å
543	S	89.8	Confident	95.8	Very high	73 Å²	73	50 Å²	50	51%	0.51	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.1	45	-179	-62.4	0	0	0	0	113.8	T503	T503-S543 PolarHBondContact OG1-N 2.99Å
544	E	94.7	Very high	95.7	Very high	9 Å²	9	50 Å²	50	4%	0.042	29%	0.288	C	S	.	.			trans	-60.9	159.1	175.9	76.2	-167.5	141.7	0	0	112	W502 T503 V541 V542 T548 R552	W502-E544 PolarHBondContact NE1-O 3.28Å; T503-E544 WeakPolarHBondContact CG2-OE1 3.27Å; T503-E544 PolarHBondContact N-OE1 3.03Å; T503-E544 VanDerWaalsContact N-OE1 3.16Å; T503-E544 VanDerWaalsContact OG1-CG 3.25Å; T503-E544 WeakPolarHBondContact OG1-CG 3.27Å; T503-E544 PolarHBondContact OG1-N 3.48Å; T503-E544 PolarHBondContact OG1-OE1 2.71Å; V541-E544 HydrophobicContact CB-CB 4.45Å; V542-E544 PolarHBondContact O-N 3.02Å; E544-T548 HydrophobicContact CB-CG2 4.19Å; E544-R552 VanDerWaalsContact CD-NE 3.34Å; E544-R552 IonicContact OE1-CZ 2.78Å; E544-R552 VanDerWaalsContact OE1-CZ 3.32Å; E544-R552 IonicContact OE1-NE 3.22Å; E544-R552 PolarHBondContact OE1-NE 3.45Å; E544-R552 VanDerWaalsContact OE1-NE 3.09Å; E544-R552 IonicContact OE1-NH2 3Å; E544-R552 PolarHBondContact OE1-NH2 3.41Å; E544-R552 WeakPolarHBondContact OE2-CD 3.14Å; E544-R552 IonicContact OE2-CZ 3.01Å; E544-R552 IonicContact OE2-NE 2.7Å; E544-R552 PolarHBondContact OE2-NE 3.22Å; E544-R552 IonicContact OE2-NH2 3.07Å
545	S	96	Very high	95.7	Very high	54 Å²	54	52.1 Å²	52.1	38%	0.378	30%	0.298	S	S	.	.			trans	-72.1	160.9	174.3	78.7	0	0	0	0	111.4	W502 D547 T548 Y549	W502-S545 PolarHBondContact NE1-O 3.41Å; S545-D547 VanDerWaalsContact C-N 3.3Å; S545-D547 PolarHBondContact O-N 2.67Å; S545-T548 PolarHBondContact O-N 3.15Å; S545-T548 PolarHBondContact OG-N 2.88Å; S545-T548 VanDerWaalsContact OG-N 3.12Å; S545-T548 PolarHBondContact OG-OG1 3.29Å; S545-Y549 PolarHBondContact O-N 2.78Å
546	Y	95.1	Very high	95.8	Very high	21 Å²	21	51.5 Å²	51.5	8%	0.082	30%	0.295	C	S	.	.	H	α-helix	trans	-58.3	-43.5	174.9	170.9	-108.8	0	0	0	111.6	T548 Y549 I550 Q593 F598	Y546-T548 VanDerWaalsContact C-N 3.34Å; Y546-T548 PolarHBondContact O-N 3.46Å; Y546-Y549 WeakPolarHBondContact O-CB 3.3Å; Y546-Y549 PolarHBondContact O-N 2.83Å; Y546-I550 HydrophobicContact CD2-CG1 4.08Å; Y546-I550 HydrophobicContact CE1-CG1 4.07Å; Y546-I550 HydrophobicContact CE2-CD1 3.8Å; Y546-I550 HydrophobicContact CE2-CG1 3.55Å; Y546-I550 WeakPolarHBondContact O-CG1 3.4Å; Y546-I550 PolarHBondContact O-N 3.03Å; Y546-Q593 WeakPolarHBondContact CE1-O 3.46Å; Y546-Q593 VanDerWaalsContact CZ-O 3.26Å; Y546-Q593 PolarHBondContact OH-O 3.29Å; Y546-F598 HydrophobicContact CD2-CD1 4.3Å; Y546-F598 HydrophobicContact CE2-CB 3.9Å; Y546-F598 AromaticContact CE2-CD1 3.62Å; Y546-F598 HydrophobicContact CE2-CD1 3.62Å; Y546-F598 HydrophobicContact CE2-CD2 4.12Å; Y546-F598 HydrophobicContact CE2-CE1 4.15Å; Y546-F598 AromaticContact CE2-CG 3.6Å; Y546-F598 HydrophobicContact CE2-CG 3.6Å
547	D	95.3	Very high	95.8	Very high	107 Å²	107	49.5 Å²	49.5	57%	0.572	28%	0.282	S	S	*	.	H	α-helix	trans	-65.4	-37.4	-180	-56.6	-53.9	0	0	0	112.2	S545 S551	S545-D547 VanDerWaalsContact C-N 3.3Å; S545-D547 PolarHBondContact O-N 2.67Å; D547-S551 WeakPolarHBondContact O-CB 3.31Å; D547-S551 PolarHBondContact O-N 2.98Å; D547-S551 PolarHBondContact O-OG 3.34Å
548	T	96.9	Very high	95.9	Very high	69 Å²	69	51.8 Å²	51.8	42%	0.423	29%	0.287	S	S	.	.	H	α-helix	trans	-63.3	-45	173.8	-60.3	0	0	0	0	111	E544 S545 Y546 S551 R552	E544-T548 HydrophobicContact CB-CG2 4.19Å; S545-T548 PolarHBondContact O-N 3.15Å; S545-T548 PolarHBondContact OG-N 2.88Å; S545-T548 VanDerWaalsContact OG-N 3.12Å; S545-T548 PolarHBondContact OG-OG1 3.29Å; Y546-T548 VanDerWaalsContact C-N 3.34Å; Y546-T548 PolarHBondContact O-N 3.46Å; T548-S551 PolarHBondContact O-N 3.41Å; T548-R552 WeakPolarHBondContact O-CG 3.2Å; T548-R552 PolarHBondContact O-N 3.47Å
549	Y	98.1	Very high	96.1	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-58.9	-49	176.8	167.5	-109.6	0	0	0	112.5	W502 S545 Y546 R552 S553 S578 A582 F598	W502-Y549 HydrophobicContact CB-CD1 3.96Å; W502-Y549 HydrophobicContact CB-CD2 3.91Å; W502-Y549 HydrophobicContact CB-CE1 4.3Å; W502-Y549 HydrophobicContact CB-CE2 4.24Å; W502-Y549 HydrophobicContact CB-CG 3.76Å; W502-Y549 HydrophobicContact CG-CD1 4.25Å; W502-Y549 AromaticContact CG-CG 3.99Å; W502-Y549 HydrophobicContact CG-CG 3.99Å; S545-Y549 PolarHBondContact O-N 2.78Å; Y546-Y549 WeakPolarHBondContact O-CB 3.3Å; Y546-Y549 PolarHBondContact O-N 2.83Å; Y549-R552 VanDerWaalsContact O-CG 3.28Å; Y549-R552 WeakPolarHBondContact O-CG 3.17Å; Y549-S553 WeakPolarHBondContact O-CB 3.14Å; Y549-S553 PolarHBondContact O-N 3.05Å; Y549-S553 PolarHBondContact O-OG 2.68Å; Y549-S578 WeakPolarHBondContact OH-CB 3.22Å; Y549-S578 PolarHBondContact OH-O 3.19Å; Y549-S578 PolarHBondContact OH-OG 3.07Å; Y549-A582 HydrophobicContact CE1-CB 3.64Å; Y549-A582 WeakPolarHBondContact OH-CB 3.43Å; Y549-F598 AromaticContact CE1-CE1 3.94Å; Y549-F598 HydrophobicContact CE1-CE1 3.94Å; Y549-F598 AromaticContact CE1-CZ 3.74Å; Y549-F598 HydrophobicContact CE1-CZ 3.74Å
550	I	97.7	Very high	96.2	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	23%	0.233	C	C	.	.	H	α-helix	trans	-64.4	-45.9	178.6	-66.6	-63	0	0	0	110.7	Y546 R552 S553 F554 A582 P592 F598	Y546-I550 HydrophobicContact CD2-CG1 4.08Å; Y546-I550 HydrophobicContact CE1-CG1 4.07Å; Y546-I550 HydrophobicContact CE2-CD1 3.8Å; Y546-I550 HydrophobicContact CE2-CG1 3.55Å; Y546-I550 WeakPolarHBondContact O-CG1 3.4Å; Y546-I550 PolarHBondContact O-N 3.03Å; I550-R552 PolarHBondContact O-N 2.92Å; I550-S553 WeakPolarHBondContact O-CB 3.37Å; I550-S553 PolarHBondContact O-N 3.41Å; I550-F554 PolarHBondContact O-N 3.4Å; I550-A582 HydrophobicContact CD1-CB 3.82Å; I550-P592 HydrophobicContact CG2-CB 3.99Å; I550-P592 HydrophobicContact CG2-CG 3.59Å; I550-F598 HydrophobicContact CD1-CE2 4.09Å; I550-F598 HydrophobicContact CD1-CZ 4.29Å
551	S	97	Very high	96.3	Very high	64 Å²	64	42.3 Å²	42.3	45%	0.448	23%	0.233	S	C	.	.	H	α-helix	trans	-61.4	-44.2	-179.5	-60.6	0	0	0	0	112.5	D547 T548 S553 F554 Q555	D547-S551 WeakPolarHBondContact O-CB 3.31Å; D547-S551 PolarHBondContact O-N 2.98Å; D547-S551 PolarHBondContact O-OG 3.34Å; T548-S551 PolarHBondContact O-N 3.41Å; S551-S553 VanDerWaalsContact C-N 3.34Å; S551-F554 PolarHBondContact O-N 2.9Å; S551-Q555 WeakPolarHBondContact O-CB 3.11Å; S551-Q555 PolarHBondContact O-N 3.1Å
552	R	97.6	Very high	96.4	Very high	18 Å²	18	42 Å²	42	7%	0.068	24%	0.235	C	C	.	.	H	α-helix	trans	-68.7	-33.8	177.5	73.9	172.4	173.5	79.1	-9.3	112.5	G498 F500 E501 I535 E544 T548 Y549 I550 Q555 V556	G498-R552 PolarHBondContact O-NH1 3.05Å; F500-R552 VanDerWaalsContact O-CZ 3.29Å; F500-R552 PolarHBondContact O-NH1 3.38Å; F500-R552 PolarHBondContact O-NH2 3.08Å; E501-R552 PolarHBondContact O-NH2 2.64Å; I535-R552 HydrophobicContact CD1-CB 3.86Å; E544-R552 VanDerWaalsContact CD-NE 3.34Å; E544-R552 IonicContact OE1-CZ 2.78Å; E544-R552 VanDerWaalsContact OE1-CZ 3.32Å; E544-R552 IonicContact OE1-NE 3.22Å; E544-R552 PolarHBondContact OE1-NE 3.45Å; E544-R552 VanDerWaalsContact OE1-NE 3.09Å; E544-R552 IonicContact OE1-NH2 3Å; E544-R552 PolarHBondContact OE1-NH2 3.41Å; E544-R552 WeakPolarHBondContact OE2-CD 3.14Å; E544-R552 IonicContact OE2-CZ 3.01Å; E544-R552 IonicContact OE2-NE 2.7Å; E544-R552 PolarHBondContact OE2-NE 3.22Å; E544-R552 IonicContact OE2-NH2 3.07Å; T548-R552 WeakPolarHBondContact O-CG 3.2Å; T548-R552 PolarHBondContact O-N 3.47Å; Y549-R552 VanDerWaalsContact O-CG 3.28Å; Y549-R552 WeakPolarHBondContact O-CG 3.17Å; I550-R552 PolarHBondContact O-N 2.92Å; R552-Q555 PolarHBondContact O-N 3.25Å; R552-V556 WeakPolarHBondContact O-CB 3.3Å; R552-V556 WeakPolarHBondContact O-CG1 3.38Å; R552-V556 PolarHBondContact O-N 3Å
553	S	98.4	Very high	96.6	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-66.3	-41.2	177	-59.4	0	0	0	0	111.2	Y549 I550 S551 V556 T557 A582	Y549-S553 WeakPolarHBondContact O-CB 3.14Å; Y549-S553 PolarHBondContact O-N 3.05Å; Y549-S553 PolarHBondContact O-OG 2.68Å; I550-S553 WeakPolarHBondContact O-CB 3.37Å; I550-S553 PolarHBondContact O-N 3.41Å; S551-S553 VanDerWaalsContact C-N 3.34Å; S553-V556 WeakPolarHBondContact O-CG1 3.42Å; S553-T557 WeakPolarHBondContact O-CB 3.32Å; S553-T557 PolarHBondContact O-N 2.91Å; S553-T557 VanDerWaalsContact O-N 3.15Å; S553-T557 PolarHBondContact O-OG1 3.35Å; S553-A582 WeakPolarHBondContact CB-O 3.49Å
554	F	98.1	Very high	96.7	Very high	50 Å²	50	39.5 Å²	39.5	22%	0.219	21%	0.212	C	C	.	.	H	α-helix	trans	-66.6	-45.8	173.4	174.7	-128.9	0	0	0	112.3	I550 S551 T557 K558 Q586	I550-F554 PolarHBondContact O-N 3.4Å; S551-F554 PolarHBondContact O-N 2.9Å; F554-T557 PolarHBondContact O-N 3.14Å; F554-K558 HydrophobicContact CD1-CD 4.41Å; F554-K558 HydrophobicContact CD2-CD 4.08Å; F554-K558 HydrophobicContact CD2-CG 4.2Å; F554-K558 HydrophobicContact CE1-CD 3.83Å; F554-K558 HydrophobicContact CE2-CD 3.43Å; F554-K558 VanDerWaalsContact CE2-CD 3.43Å; F554-K558 HydrophobicContact CE2-CG 3.79Å; F554-K558 HydrophobicContact CZ-CD 3.32Å; F554-K558 HydrophobicContact CZ-CG 4.2Å; F554-K558 PolarHBondContact O-N 3.16Å; F554-Q586 HydrophobicContact CB-CB 4.06Å; F554-Q586 VanDerWaalsContact CB-OE1 3.26Å; F554-Q586 HydrophobicContact CD1-CB 3.96Å; F554-Q586 HydrophobicContact CD2-CB 3.51Å; F554-Q586 HydrophobicContact CE1-CB 4.22Å; F554-Q586 HydrophobicContact CE2-CB 3.81Å; F554-Q586 WeakPolarHBondContact CE2-O 3.36Å; F554-Q586 HydrophobicContact CG-CB 3.58Å; F554-Q586 HydrophobicContact CG-CG 4.43Å; F554-Q586 HydrophobicContact CZ-CB 4.13Å
555	Q	98.1	Very high	96.4	Very high	99 Å²	99	45 Å²	45	46%	0.463	24%	0.236	S	C	.	.	H	α-helix	trans	-57.2	-53.7	178.4	178.7	-178.4	-12.9	0	0	111.4	S551 R552 T557 K558 E559	S551-Q555 WeakPolarHBondContact O-CB 3.11Å; S551-Q555 PolarHBondContact O-N 3.1Å; R552-Q555 PolarHBondContact O-N 3.25Å; Q555-T557 VanDerWaalsContact C-N 3.3Å; Q555-T557 PolarHBondContact O-N 3.41Å; Q555-K558 WeakPolarHBondContact O-CB 3.24Å; Q555-K558 PolarHBondContact O-N 3.39Å; Q555-E559 WeakPolarHBondContact CG-OE1 3.33Å; Q555-E559 PolarHBondContact NE2-OE1 3.07Å; Q555-E559 WeakPolarHBondContact O-CG 3.45Å; Q555-E559 PolarHBondContact O-N 3.48Å
556	V	98.4	Very high	95.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-64.3	-38	-176.5	74.5	0	0	0	0	111.5	E496 L499 H534 I535 R552 S553 K558 E559 I560	E496-V556 VanDerWaalsContact CD-CG2 3.44Å; E496-V556 HydrophobicContact CG-CG2 3.37Å; L499-V556 HydrophobicContact CD2-CG1 3.7Å; L499-V556 HydrophobicContact CG-CG1 4.34Å; H534-V556 HydrophobicContact CB-CG2 4.37Å; I535-V556 HydrophobicContact CD1-CB 4.26Å; R552-V556 WeakPolarHBondContact O-CB 3.3Å; R552-V556 WeakPolarHBondContact O-CG1 3.38Å; R552-V556 PolarHBondContact O-N 3Å; S553-V556 WeakPolarHBondContact O-CG1 3.42Å; V556-K558 VanDerWaalsContact C-N 3.34Å; V556-K558 PolarHBondContact O-N 2.96Å; V556-E559 PolarHBondContact O-N 3.32Å; V556-I560 HydrophobicContact CG2-CD1 4.16Å; V556-I560 WeakPolarHBondContact O-CB 3.46Å; V556-I560 VanDerWaalsContact O-CG1 3.24Å; V556-I560 WeakPolarHBondContact O-CG1 3.5Å; V556-I560 PolarHBondContact O-N 3.48Å
557	T	98.3	Very high	95.5	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-64.2	-41.2	178.1	-55.4	0	0	0	0	111.1	L386 S553 F554 Q555 I560 I561 I573 C583 L587	L386-T557 HydrophobicContact CD2-CG2 3.5Å; L386-T557 VanDerWaalsContact CD2-CG2 3.5Å; S553-T557 WeakPolarHBondContact O-CB 3.32Å; S553-T557 PolarHBondContact O-N 2.91Å; S553-T557 VanDerWaalsContact O-N 3.15Å; S553-T557 PolarHBondContact O-OG1 3.35Å; F554-T557 PolarHBondContact O-N 3.14Å; Q555-T557 VanDerWaalsContact C-N 3.3Å; Q555-T557 PolarHBondContact O-N 3.41Å; T557-I560 PolarHBondContact O-N 3.14Å; T557-I561 HydrophobicContact CG2-CD1 3.97Å; T557-I561 VanDerWaalsContact O-CG1 3.27Å; T557-I561 WeakPolarHBondContact O-CG1 3.27Å; T557-I561 PolarHBondContact O-N 3.43Å; T557-I573 HydrophobicContact CG2-CD1 4.46Å; T557-C583 HydrophobicContact CG2-CB 4.28Å; T557-C583 WeakPolarHBondContact CG2-O 3.45Å; T557-C583 VanDerWaalsContact OG1-CB 3.3Å; T557-C583 WeakPolarHBondContact OG1-CB 3.43Å; T557-C583 PolarHBondContact OG1-SG 2.96Å; T557-C583 VanDerWaalsContact OG1-SG 3.41Å; T557-L587 HydrophobicContact CG2-CD2 4.31Å
558	K	97.2	Very high	95	Very high	113 Å²	113	49 Å²	49	49%	0.491	26%	0.261	S	S	.	.	H	α-helix	trans	-63.6	-42.3	173.8	-82.6	179.3	46.6	177.9	0	113	F554 Q555 V556 I561 S562	F554-K558 HydrophobicContact CD1-CD 4.41Å; F554-K558 HydrophobicContact CD2-CD 4.08Å; F554-K558 HydrophobicContact CD2-CG 4.2Å; F554-K558 HydrophobicContact CE1-CD 3.83Å; F554-K558 HydrophobicContact CE2-CD 3.43Å; F554-K558 VanDerWaalsContact CE2-CD 3.43Å; F554-K558 HydrophobicContact CE2-CG 3.79Å; F554-K558 HydrophobicContact CZ-CD 3.32Å; F554-K558 HydrophobicContact CZ-CG 4.2Å; F554-K558 PolarHBondContact O-N 3.16Å; Q555-K558 WeakPolarHBondContact O-CB 3.24Å; Q555-K558 PolarHBondContact O-N 3.39Å; V556-K558 VanDerWaalsContact C-N 3.34Å; V556-K558 PolarHBondContact O-N 2.96Å; K558-I561 PolarHBondContact O-N 3.07Å; K558-S562 VanDerWaalsContact O-CB 3.27Å; K558-S562 WeakPolarHBondContact O-CB 3.32Å; K558-S562 PolarHBondContact O-N 2.65Å
559	E	98.1	Very high	94.6	Very high	58 Å²	58	47.9 Å²	47.9	27%	0.271	25%	0.253	S	S	.	.	H	α-helix	trans	-63.7	-42.8	179.1	-71.6	165	166.7	0	0	110.7	H534 Q555 V556 S562 E563	H534-E559 HydrophobicContact CB-CB 4.46Å; H534-E559 WeakPolarHBondContact CB-OE2 3.3Å; H534-E559 IonicContact CG-OE2 3.11Å; Q555-E559 WeakPolarHBondContact CG-OE1 3.33Å; Q555-E559 PolarHBondContact NE2-OE1 3.07Å; Q555-E559 WeakPolarHBondContact O-CG 3.45Å; Q555-E559 PolarHBondContact O-N 3.48Å; V556-E559 PolarHBondContact O-N 3.32Å; E559-S562 WeakPolarHBondContact O-CB 3.43Å; E559-S562 PolarHBondContact O-N 2.9Å; E559-E563 WeakPolarHBondContact O-CB 3.32Å; E559-E563 PolarHBondContact O-N 3.25Å
560	I	97.9	Very high	94.5	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.4	-51.8	172.8	-71.4	168.8	0	0	0	111.4	Y467 E496 L499 V556 T557 S562 E563 C564 I571 I573	Y467-I560 HydrophobicContact CD1-CD1 3.77Å; Y467-I560 HydrophobicContact CD1-CG1 3.87Å; Y467-I560 HydrophobicContact CD2-CG2 3.8Å; Y467-I560 HydrophobicContact CE1-CD1 4.14Å; Y467-I560 HydrophobicContact CE1-CG1 3.68Å; Y467-I560 HydrophobicContact CE1-CG2 4.31Å; Y467-I560 HydrophobicContact CE2-CG1 4.45Å; Y467-I560 HydrophobicContact CE2-CG2 3.55Å; Y467-I560 HydrophobicContact CG-CD1 3.98Å; Y467-I560 HydrophobicContact CG-CG1 4.31Å; Y467-I560 HydrophobicContact CG-CG2 4.3Å; E496-I560 HydrophobicContact CG-CD1 4.48Å; L499-I560 HydrophobicContact CD1-CD1 4.05Å; L499-I560 HydrophobicContact CD2-CD1 4.37Å; L499-I560 HydrophobicContact CG-CD1 4.49Å; V556-I560 HydrophobicContact CG2-CD1 4.16Å; V556-I560 WeakPolarHBondContact O-CB 3.46Å; V556-I560 VanDerWaalsContact O-CG1 3.24Å; V556-I560 WeakPolarHBondContact O-CG1 3.5Å; V556-I560 PolarHBondContact O-N 3.48Å; T557-I560 PolarHBondContact O-N 3.14Å; I560-S562 VanDerWaalsContact C-N 3.26Å; I560-S562 PolarHBondContact O-N 3.16Å; I560-E563 PolarHBondContact O-N 3.25Å; I560-C564 WeakPolarHBondContact O-CB 3.41Å; I560-C564 PolarHBondContact O-N 2.84Å; I560-C564 PolarHBondContact O-SG 3.39Å; I560-I571 HydrophobicContact CG2-CD1 4.21Å; I560-I571 HydrophobicContact CG2-CG2 3.84Å; I560-I573 HydrophobicContact CD1-CD1 4.35Å
561	I	95.9	Very high	94.5	Very high	11 Å²	11	49.1 Å²	49.1	6%	0.056	26%	0.259	C	S	.	.	H	α-helix	trans	-60.8	-37.7	179.5	-70.7	166.9	0	0	0	111.2	R384 L386 T557 K558 K565 I571 L587 W622	R384-I561 PolarHBondContact NH1-O 3.09Å; L386-I561 HydrophobicContact CD2-CD1 4.33Å; T557-I561 HydrophobicContact CG2-CD1 3.97Å; T557-I561 VanDerWaalsContact O-CG1 3.27Å; T557-I561 WeakPolarHBondContact O-CG1 3.27Å; T557-I561 PolarHBondContact O-N 3.43Å; K558-I561 PolarHBondContact O-N 3.07Å; I561-K565 PolarHBondContact O-N 3.38Å; I561-K565 VanDerWaalsContact O-N 3.13Å; I561-I571 HydrophobicContact CG1-CD1 4.27Å; I561-L587 HydrophobicContact CD1-CD1 3.71Å; I561-L587 HydrophobicContact CD1-CD2 3.64Å; I561-L587 HydrophobicContact CD1-CG 4.34Å; I561-W622 HydrophobicContact CD1-CH2 4.07Å; I561-W622 HydrophobicContact CD1-CZ2 3.91Å; I561-W622 HydrophobicContact CG1-CH2 4.34Å; I561-W622 HydrophobicContact CG1-CZ2 4.32Å; I561-W622 HydrophobicContact CG2-CH2 4.34Å; I561-W622 HydrophobicContact CG2-CZ2 3.69Å
562	S	94.6	Very high	94.6	Very high	84 Å²	84	46.1 Å²	46.1	59%	0.587	24%	0.238	S	C	*	.	H	α-helix	trans	-68.6	-45.3	178.1	-172.2	0	0	0	0	111.7	K558 E559 I560 C564 K565	K558-S562 VanDerWaalsContact O-CB 3.27Å; K558-S562 WeakPolarHBondContact O-CB 3.32Å; K558-S562 PolarHBondContact O-N 2.65Å; E559-S562 WeakPolarHBondContact O-CB 3.43Å; E559-S562 PolarHBondContact O-N 2.9Å; I560-S562 VanDerWaalsContact C-N 3.26Å; I560-S562 PolarHBondContact O-N 3.16Å; S562-C564 VanDerWaalsContact C-N 3.3Å; S562-C564 PolarHBondContact O-N 2.87Å; S562-K565 VanDerWaalsContact O-CB 3.25Å; S562-K565 WeakPolarHBondContact O-CB 3.19Å; S562-K565 PolarHBondContact O-N 3.25Å
563	E	94.6	Very high	94.7	Very high	63 Å²	63	45.2 Å²	45.2	29%	0.294	24%	0.235	S	C	.	.	H	α-helix	trans	-62.6	-38.1	178.9	-174.6	-170.7	-179.7	0	0	112.4	Y467 H534 E559 I560 K565 K567	Y467-E563 PolarHBondContact OH-OE2 2.94Å; H534-E563 IonicContact CE1-OE2 2.77Å; H534-E563 IonicContact NE2-OE2 3.34Å; H534-E563 PolarHBondContact NE2-OE2 3.2Å; E559-E563 WeakPolarHBondContact O-CB 3.32Å; E559-E563 PolarHBondContact O-N 3.25Å; I560-E563 PolarHBondContact O-N 3.25Å; E563-K565 VanDerWaalsContact C-N 3.35Å; E563-K567 PolarHBondContact O-NZ 2.85Å
564	C	93.3	Very high	94.7	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.014	23%	0.234	C	C	.	.	H	α-helix	trans	-84.5	-8.8	-179.1	-62	0	0	0	0	113.1	Y467 I560 S562 S566 K567 I571	Y467-C564 PolarHBondContact OH-SG 3.36Å; I560-C564 WeakPolarHBondContact O-CB 3.41Å; I560-C564 PolarHBondContact O-N 2.84Å; I560-C564 PolarHBondContact O-SG 3.39Å; S562-C564 VanDerWaalsContact C-N 3.3Å; S562-C564 PolarHBondContact O-N 2.87Å; C564-S566 PolarHBondContact O-N 3.1Å; C564-K567 PolarHBondContact O-N 3.16Å; C564-I571 HydrophobicContact CB-CD1 3.54Å; C564-I571 HydrophobicContact CB-CG1 4.04Å
565	K	87.6	Confident	94.7	Very high	125 Å²	125	42.8 Å²	42.8	54%	0.543	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	130.2	179.1	-167.6	171.6	-177.1	175	0	109.6	I561 S562 E563 K567	I561-K565 PolarHBondContact O-N 3.38Å; I561-K565 VanDerWaalsContact O-N 3.13Å; S562-K565 VanDerWaalsContact O-CB 3.25Å; S562-K565 WeakPolarHBondContact O-CB 3.19Å; S562-K565 PolarHBondContact O-N 3.25Å; E563-K565 VanDerWaalsContact C-N 3.35Å; K565-K567 PolarHBondContact O-N 3.46Å
566	S	83.6	Confident	94.8	Very high	119 Å²	119	38.1 Å²	38.1	83%	0.832	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.9	8.3	-175.7	69.7	0	0	0	0	117	C564	C564-S566 PolarHBondContact O-N 3.1Å
567	K	88.3	Confident	94.5	Very high	129 Å²	129	38.5 Å²	38.5	56%	0.561	21%	0.205	S	C	*	.	S	Bend	trans	-115.2	16.1	177.4	-59.7	178.6	-171.2	155.1	0	113.2	H465 E563 C564 K565	H465-K567 PolarHBondContact NE2-O 3.44Å; E563-K567 PolarHBondContact O-NZ 2.85Å; C564-K567 PolarHBondContact O-N 3.16Å; K565-K567 PolarHBondContact O-N 3.46Å
568	G	86.2	Confident	94.5	Very high	16 Å²	16	38.5 Å²	38.5	17%	0.165	21%	0.205	C	C	.	.			trans	141.6	153.6	-168.9	0	0	0	0	0	110.6	D464	D464-G568 VanDerWaalsContact OD2-CA 3.27Å; D464-G568 WeakPolarHBondContact OD2-CA 3.41Å
569	N	87.3	Confident	94.5	Very high	46 Å²	46	33.2 Å²	33.2	25%	0.246	18%	0.182	C	C	.	.	S	Bend	trans	-100.8	-29.3	-178.9	-68.4	-43.7	0	0	0	111.9	Q382 R384 C385 D464	Q382-N569 WeakPolarHBondContact CB-ND2 3.39Å; Q382-N569 PolarHBondContact OE1-ND2 3.03Å; R384-N569 CarbonylContact C-O 3.45Å; R384-N569 VanDerWaalsContact CA-O 3.24Å; R384-N569 WeakPolarHBondContact CA-O 3.32Å; R384-N569 HydrophobicContact CG-CB 4.45Å; C385-N569 PolarHBondContact N-O 3.27Å; D464-N569 PolarHBondContact OD2-N 3.4Å
570	N	96.3	Very high	94.5	Very high	27 Å²	27	31.4 Å²	31.4	14%	0.144	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119	-168.7	-68.1	-16.3	0	0	0	111.5	C385 F387 I462 I463 D464 H465	C385-N570 WeakPolarHBondContact CB-OD1 3.26Å; C385-N570 WeakPolarHBondContact O-CA 3.5Å; F387-N570 HydrophobicContact CE2-CB 4.06Å; I462-N570 WeakPolarHBondContact O-CB 3.42Å; I462-N570 PolarHBondContact O-ND2 3.45Å; I463-N570 HydrophobicContact CD1-CB 4.44Å; D464-N570 PolarHBondContact N-O 2.86Å; D464-N570 PolarHBondContact OD2-N 2.94Å; H465-N570 PolarHBondContact N-O 2.93Å
571	I	98.4	Very high	94.5	Very high	6 Å²	6	33.3 Å²	33.3	3%	0.031	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.1	-179.8	-55	169.5	0	0	0	108.4	C385 L386 F387 H465 Y467 I560 I561 C564	C385-I571 PolarHBondContact O-N 3.08Å; L386-I571 HydrophobicContact CD1-CB 3.98Å; L386-I571 HydrophobicContact CD1-CG2 3.98Å; F387-I571 PolarHBondContact N-O 2.82Å; H465-I571 WeakPolarHBondContact O-CA 3.47Å; Y467-I571 HydrophobicContact CD2-CG2 3.99Å; Y467-I571 HydrophobicContact CE2-CG2 4.27Å; I560-I571 HydrophobicContact CG2-CD1 4.21Å; I560-I571 HydrophobicContact CG2-CG2 3.84Å; I561-I571 HydrophobicContact CG1-CD1 4.27Å; C564-I571 HydrophobicContact CB-CD1 3.54Å; C564-I571 HydrophobicContact CB-CG1 4.04Å
572	L	98.8	Very high	94.5	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	123.1	173.1	177.8	63.5	0	0	0	110.7	F387 I463 H465 V466 Y467 I481 V574 F610	F387-L572 HydrophobicContact CB-CD1 3.8Å; I463-L572 HydrophobicContact CD1-CB 4.46Å; I463-L572 HydrophobicContact CG2-CB 3.83Å; H465-L572 PolarHBondContact O-N 3.22Å; V466-L572 CarbonylContact C-O 3.5Å; V466-L572 WeakPolarHBondContact CA-O 3.4Å; V466-L572 HydrophobicContact CG2-CD2 4.3Å; V466-L572 HydrophobicContact CG2-CG 4.48Å; Y467-L572 PolarHBondContact N-O 2.76Å; I481-L572 HydrophobicContact CD1-CD2 4.36Å; I481-L572 HydrophobicContact CG2-CD2 3.85Å; L572-V574 HydrophobicContact CD1-CG2 4.4Å; L572-V574 HydrophobicContact CD2-CG2 3.95Å; L572-V574 HydrophobicContact CG-CG2 3.88Å; L572-F610 HydrophobicContact CD1-CE2 4.04Å; L572-F610 HydrophobicContact CD1-CZ 4.34Å
573	I	98.9	Very high	94.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	120.4	168.1	-68.6	179.1	0	0	0	109.2	L386 F387 V388 C389 Y467 L499 T557 I560 A575	L386-I573 HydrophobicContact CD1-CD1 3.8Å; L386-I573 HydrophobicContact CD1-CG1 4.06Å; F387-I573 PolarHBondContact O-N 2.83Å; V388-I573 WeakPolarHBondContact CA-O 3.27Å; V388-I573 HydrophobicContact CG1-CB 4.27Å; V388-I573 HydrophobicContact CG1-CG2 4.01Å; V388-I573 HydrophobicContact CG2-CB 4.27Å; C389-I573 PolarHBondContact N-O 3.21Å; Y467-I573 WeakPolarHBondContact O-CA 3.5Å; L499-I573 HydrophobicContact CD1-CG1 4.43Å; L499-I573 HydrophobicContact CD1-CG2 4Å; L499-I573 HydrophobicContact CD2-CD1 4.1Å; L499-I573 HydrophobicContact CD2-CG2 4.17Å; T557-I573 HydrophobicContact CG2-CD1 4.46Å; I560-I573 HydrophobicContact CD1-CD1 4.35Å; I573-A575 HydrophobicContact CG2-CB 3.99Å
574	V	98.9	Very high	94.8	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	107.1	173.5	-172.9	0	0	0	0	109.7	V466 Y467 C468 S469 C474 T477 A478 I481 L572	V466-V574 HydrophobicContact CG2-CG2 4.43Å; Y467-V574 PolarHBondContact O-N 3.43Å; C468-V574 WeakPolarHBondContact CA-O 3.31Å; C468-V574 HydrophobicContact CB-CB 4.17Å; C468-V574 VanDerWaalsContact CB-O 3.3Å; C468-V574 WeakPolarHBondContact CB-O 3.49Å; S469-V574 PolarHBondContact N-O 2.97Å; S469-V574 VanDerWaalsContact N-O 3.13Å; C474-V574 WeakPolarHBondContact O-CG1 3.41Å; T477-V574 HydrophobicContact CG2-CG1 3.63Å; A478-V574 HydrophobicContact CB-CB 3.98Å; A478-V574 HydrophobicContact CB-CG1 4.25Å; A478-V574 HydrophobicContact CB-CG2 3.84Å; I481-V574 HydrophobicContact CD1-CG2 3.99Å; L572-V574 HydrophobicContact CD1-CG2 4.4Å; L572-V574 HydrophobicContact CD2-CG2 3.95Å; L572-V574 HydrophobicContact CG-CG2 3.88Å
575	A	98.8	Very high	94.8	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	-126.9	-172	0	0	0	0	0	111.8	C389 H391 C474 L499 I573 S579	C389-A575 PolarHBondContact O-N 3.17Å; H391-A575 PolarHBondContact CD2-O 3.16Å; H391-A575 PolarHBondContact N-O 3.46Å; C474-A575 PolarHBondContact SG-O 3.23Å; C474-A575 VanDerWaalsContact SG-O 3.39Å; L499-A575 HydrophobicContact CB-CB 4.43Å; I573-A575 HydrophobicContact CG2-CB 3.99Å; A575-S579 WeakPolarHBondContact CB-OG 3.43Å
576	H	98.6	Very high	95.1	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.009	13%	0.127	C	C	.	.			trans	-115.9	168.1	-169.8	-53.1	-82.4	0	0	0	110.9	H391 S469 S471 R473 C474 L499 F500 E501 S578 S579 L580	H391-H576 AromaticContact CD2-ND1 3.89Å; S469-H576 WeakPolarHBondContact CB-NE2 3.34Å; S469-H576 PolarHBondContact OG-NE2 3.17Å; S471-H576 PolarHBondContact OG-CE1 3.39Å; R473-H576 PolarHBondContact NH2-CE1 2.71Å; R473-H576 PolarHBondContact NH2-ND1 3.17Å; C474-H576 VanDerWaalsContact SG-CE1 3.58Å; L499-H576 PolarHBondContact O-CD2 3.36Å; F500-H576 AromaticContact CD2-NE2 3.84Å; E501-H576 HydrophobicContact CB-CB 4.02Å; E501-H576 PolarHBondContact N-CD2 2.74Å; E501-H576 PolarHBondContact N-NE2 2.78Å; E501-H576 IonicContact OE2-ND1 3.09Å; H576-S578 PolarHBondContact O-N 2.72Å; H576-S579 PolarHBondContact N-OG 2.65Å; H576-S579 VanDerWaalsContact N-OG 3.09Å; H576-S579 VanDerWaalsContact O-CB 3.27Å; H576-S579 WeakPolarHBondContact O-CB 3.4Å; H576-S579 PolarHBondContact O-N 2.82Å; H576-S579 PolarHBondContact O-OG 2.84Å; H576-L580 WeakPolarHBondContact O-CD1 3.45Å
577	A	93.8	Very high	95.6	Very high	7 Å²	7	18.1 Å²	18.1	6%	0.058	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-41	174.5	0	0	0	0	0	111.1	R390 S579 L580 V602 I605	R390-A577 HydrophobicContact CG-CB 4.31Å; A577-S579 PolarHBondContact O-N 3.46Å; A577-L580 PolarHBondContact O-N 2.96Å; A577-V602 HydrophobicContact CB-CG1 3.6Å; A577-V602 WeakPolarHBondContact CB-O 3.48Å; A577-I605 HydrophobicContact CB-CB 4Å; A577-I605 HydrophobicContact CB-CD1 4.4Å; A577-I605 HydrophobicContact CB-CG2 4.24Å; A577-I605 WeakPolarHBondContact O-CD1 3.38Å
578	S	96.7	Very high	95.8	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.7	177.3	62.4	0	0	0	0	114.7	Y549 H576 A582	Y549-S578 WeakPolarHBondContact OH-CB 3.22Å; Y549-S578 PolarHBondContact OH-O 3.19Å; Y549-S578 PolarHBondContact OH-OG 3.07Å; H576-S578 PolarHBondContact O-N 2.72Å; S578-A582 WeakPolarHBondContact O-CB 3.35Å; S578-A582 PolarHBondContact O-N 2.71Å
579	S	98.5	Very high	96	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.014	10%	0.1	C	C	.	.	H	α-helix	trans	-73.2	-29.7	-176.7	-53.4	0	0	0	0	112.3	A575 H576 A577 E581 A582 C583	A575-S579 WeakPolarHBondContact CB-OG 3.43Å; H576-S579 PolarHBondContact N-OG 2.65Å; H576-S579 VanDerWaalsContact N-OG 3.09Å; H576-S579 VanDerWaalsContact O-CB 3.27Å; H576-S579 WeakPolarHBondContact O-CB 3.4Å; H576-S579 PolarHBondContact O-N 2.82Å; H576-S579 PolarHBondContact O-OG 2.84Å; A577-S579 PolarHBondContact O-N 3.46Å; S579-E581 PolarHBondContact O-N 2.89Å; S579-A582 PolarHBondContact O-N 3.43Å; S579-C583 WeakPolarHBondContact O-CB 3.33Å; S579-C583 PolarHBondContact O-N 2.94Å; S579-C583 PolarHBondContact O-SG 2.93Å
580	L	98.1	Very high	96.2	Very high	20 Å²	20	18.6 Å²	18.6	11%	0.105	11%	0.112	C	C	.	.	H	α-helix	trans	-57.2	-40.7	-179	-78.5	74.9	0	0	0	111.4	V388 R390 H576 A577 T584 I605 C611	V388-L580 HydrophobicContact CG1-CD1 4.42Å; V388-L580 HydrophobicContact CG1-CG 4.38Å; R390-L580 HydrophobicContact CB-CD1 4.35Å; H576-L580 WeakPolarHBondContact O-CD1 3.45Å; A577-L580 PolarHBondContact O-N 2.96Å; L580-T584 WeakPolarHBondContact O-CB 3.37Å; L580-T584 VanDerWaalsContact O-CG2 3.26Å; L580-T584 WeakPolarHBondContact O-CG2 3.18Å; L580-T584 PolarHBondContact O-OG1 3.42Å; L580-I605 HydrophobicContact CB-CD1 4.07Å; L580-I605 HydrophobicContact CD1-CD1 4.43Å; L580-I605 HydrophobicContact CD1-CG2 4.12Å; L580-I605 HydrophobicContact CD2-CD1 4.07Å; L580-I605 HydrophobicContact CD2-CG1 4.46Å; L580-I605 HydrophobicContact CD2-CG2 3.78Å; L580-I605 HydrophobicContact CG-CD1 4.42Å; L580-C611 HydrophobicContact CD2-CB 4.36Å
581	E	96.5	Very high	95.9	Very high	41 Å²	41	22.5 Å²	22.5	19%	0.192	14%	0.141	C	C	.	.	H	α-helix	trans	-92.9	-41.9	175.7	-174.4	156.7	136.4	0	0	113	S579 C583 T584 C585 Q593 F598 M601	S579-E581 PolarHBondContact O-N 2.89Å; E581-C583 PolarHBondContact O-N 3.4Å; E581-T584 PolarHBondContact O-N 3.35Å; E581-T584 VanDerWaalsContact O-N 3.08Å; E581-C585 HydrophobicContact CG-CB 3.96Å; E581-C585 WeakPolarHBondContact O-CB 3.37Å; E581-C585 PolarHBondContact O-N 2.9Å; E581-Q593 VanDerWaalsContact CD-NE2 3.3Å; E581-Q593 WeakPolarHBondContact OE1-CG 3.49Å; E581-Q593 PolarHBondContact OE1-NE2 3.19Å; E581-Q593 PolarHBondContact OE2-NE2 2.55Å; E581-F598 HydrophobicContact CB-CE2 4.15Å; E581-F598 HydrophobicContact CG-CE2 4.41Å; E581-M601 HydrophobicContact CB-CE 3.48Å; E581-M601 VanDerWaalsContact CB-CE 3.48Å; E581-M601 HydrophobicContact CG-CE 4.17Å; E581-M601 WeakPolarHBondContact OE2-CE 3.4Å
582	A	97.6	Very high	95.5	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-30.7	-176.2	0	0	0	0	0	113.4	Y549 I550 S553 S578 S579 F598	Y549-A582 HydrophobicContact CE1-CB 3.64Å; Y549-A582 WeakPolarHBondContact OH-CB 3.43Å; I550-A582 HydrophobicContact CD1-CB 3.82Å; S553-A582 WeakPolarHBondContact CB-O 3.49Å; S578-A582 WeakPolarHBondContact O-CB 3.35Å; S578-A582 PolarHBondContact O-N 2.71Å; S579-A582 PolarHBondContact O-N 3.43Å; A582-F598 HydrophobicContact CB-CZ 4.46Å
583	C	98.1	Very high	94.7	Very high	1 Å²	1	27.8 Å²	27.8	1%	0.007	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-21.4	176.3	-65.7	0	0	0	0	113.1	V388 T557 S579 E581	V388-C583 HydrophobicContact CG2-CB 4.35Å; T557-C583 HydrophobicContact CG2-CB 4.28Å; T557-C583 WeakPolarHBondContact CG2-O 3.45Å; T557-C583 VanDerWaalsContact OG1-CB 3.3Å; T557-C583 WeakPolarHBondContact OG1-CB 3.43Å; T557-C583 PolarHBondContact OG1-SG 2.96Å; T557-C583 VanDerWaalsContact OG1-SG 3.41Å; S579-C583 WeakPolarHBondContact O-CB 3.33Å; S579-C583 PolarHBondContact O-N 2.94Å; S579-C583 PolarHBondContact O-SG 2.93Å; E581-C583 PolarHBondContact O-N 3.4Å
584	T	97	Very high	94.2	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.018	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-25	-170.4	65.6	0	0	0	0	114.2	V388 L580 E581 L587 Q588 C613 L624	V388-T584 HydrophobicContact CG2-CG2 4.07Å; L580-T584 WeakPolarHBondContact O-CB 3.37Å; L580-T584 VanDerWaalsContact O-CG2 3.26Å; L580-T584 WeakPolarHBondContact O-CG2 3.18Å; L580-T584 PolarHBondContact O-OG1 3.42Å; E581-T584 PolarHBondContact O-N 3.35Å; E581-T584 VanDerWaalsContact O-N 3.08Å; T584-L587 WeakPolarHBondContact O-CB 3.41Å; T584-L587 PolarHBondContact O-N 3.11Å; T584-Q588 VanDerWaalsContact O-CG 3.26Å; T584-Q588 WeakPolarHBondContact O-CG 3.41Å; T584-Q588 PolarHBondContact O-N 3.43Å; T584-Q588 VanDerWaalsContact O-N 3.16Å; T584-Q588 PolarHBondContact O-NE2 3.26Å; T584-C613 HydrophobicContact CG2-CB 4.27Å; T584-L624 HydrophobicContact CG2-CD2 4.38Å
585	C	93.9	Very high	93.5	Very high	7 Å²	7	34.2 Å²	34.2	5%	0.047	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-62	-173.5	178.4	0	0	0	0	112.2	E581 L587 Q588 L590	E581-C585 HydrophobicContact CG-CB 3.96Å; E581-C585 WeakPolarHBondContact O-CB 3.37Å; E581-C585 PolarHBondContact O-N 2.9Å; C585-L587 VanDerWaalsContact C-N 3.28Å; C585-L587 PolarHBondContact O-N 2.82Å; C585-Q588 PolarHBondContact O-N 2.98Å; C585-L590 WeakPolarHBondContact O-CB 3.42Å; C585-L590 PolarHBondContact O-N 3.46Å; C585-L590 VanDerWaalsContact O-N 3.14Å
586	Q	93.4	Very high	92.5	Very high	51 Å²	51	41.5 Å²	41.5	24%	0.238	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-73.3	-21.6	-179.2	-66.4	179.7	-81	0	0	112.8	F554 Q588 G589 P592	F554-Q586 HydrophobicContact CB-CB 4.06Å; F554-Q586 VanDerWaalsContact CB-OE1 3.26Å; F554-Q586 HydrophobicContact CD1-CB 3.96Å; F554-Q586 HydrophobicContact CD2-CB 3.51Å; F554-Q586 HydrophobicContact CE1-CB 4.22Å; F554-Q586 HydrophobicContact CE2-CB 3.81Å; F554-Q586 WeakPolarHBondContact CE2-O 3.36Å; F554-Q586 HydrophobicContact CG-CB 3.58Å; F554-Q586 HydrophobicContact CG-CG 4.43Å; F554-Q586 HydrophobicContact CZ-CB 4.13Å; Q586-Q588 PolarHBondContact O-N 3.41Å; Q586-G589 PolarHBondContact O-N 3.41Å; Q586-P592 HydrophobicContact CG-CG 4.06Å
587	L	93.3	Very high	91.3	Very high	23 Å²	23	45.1 Å²	45.1	12%	0.12	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-61.9	-35.5	172.6	-174.3	65.2	0	0	0	111.2	L386 T557 I561 T584 C585 G589 W622	L386-L587 HydrophobicContact CD2-CD2 3.84Å; T557-L587 HydrophobicContact CG2-CD2 4.31Å; I561-L587 HydrophobicContact CD1-CD1 3.71Å; I561-L587 HydrophobicContact CD1-CD2 3.64Å; I561-L587 HydrophobicContact CD1-CG 4.34Å; T584-L587 WeakPolarHBondContact O-CB 3.41Å; T584-L587 PolarHBondContact O-N 3.11Å; C585-L587 VanDerWaalsContact C-N 3.28Å; C585-L587 PolarHBondContact O-N 2.82Å; L587-G589 PolarHBondContact O-N 3.12Å; L587-W622 HydrophobicContact CD1-CD2 4.28Å; L587-W622 HydrophobicContact CD1-CG 3.97Å; L587-W622 HydrophobicContact CD2-CB 4.19Å; L587-W622 HydrophobicContact CD2-CD2 3.79Å; L587-W622 HydrophobicContact CD2-CE3 3.85Å; L587-W622 HydrophobicContact CD2-CG 3.95Å; L587-W622 HydrophobicContact CG-CB 3.75Å; L587-W622 HydrophobicContact CG-CD2 4.02Å; L587-W622 HydrophobicContact CG-CG 3.64Å
588	Q	93.6	Very high	90.7	Very high	37 Å²	37	44.8 Å²	44.8	17%	0.173	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-81.4	2.3	175.2	-62.4	171	89.2	0	0	113.7	T584 C585 Q586 L590 W622	T584-Q588 VanDerWaalsContact O-CG 3.26Å; T584-Q588 WeakPolarHBondContact O-CG 3.41Å; T584-Q588 PolarHBondContact O-N 3.43Å; T584-Q588 VanDerWaalsContact O-N 3.16Å; T584-Q588 PolarHBondContact O-NE2 3.26Å; C585-Q588 PolarHBondContact O-N 2.98Å; Q586-Q588 PolarHBondContact O-N 3.41Å; Q588-L590 VanDerWaalsContact C-N 3.28Å; Q588-L590 HydrophobicContact CB-CD1 4.13Å; Q588-L590 HydrophobicContact CB-CG 3.96Å; Q588-L590 PolarHBondContact O-N 3.21Å; Q588-W622 VanDerWaalsContact CA-O 3.32Å; Q588-W622 WeakPolarHBondContact CA-O 3.29Å; Q588-W622 WeakPolarHBondContact CB-O 3.47Å; Q588-W622 WeakPolarHBondContact CG-O 3.38Å
589	G	90.1	Very high	89.7	Confident	68 Å²	68	46.2 Å²	46.2	70%	0.701	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.6	15.8	-173.5	0	0	0	0	0	114.3	Q586 L587	Q586-G589 PolarHBondContact O-N 3.41Å; L587-G589 PolarHBondContact O-N 3.12Å
590	L	91.2	Very high	88.3	Confident	96 Å²	96	49.7 Å²	49.7	50%	0.503	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-84.6	156.3	177.4	-56.1	175.2	0	0	0	111.5	C585 Q588	C585-L590 WeakPolarHBondContact O-CB 3.42Å; C585-L590 PolarHBondContact O-N 3.46Å; C585-L590 VanDerWaalsContact O-N 3.14Å; Q588-L590 VanDerWaalsContact C-N 3.28Å; Q588-L590 HydrophobicContact CB-CD1 4.13Å; Q588-L590 HydrophobicContact CB-CG 3.96Å; Q588-L590 PolarHBondContact O-N 3.21Å
591	S	90.6	Very high	87.7	Confident	108 Å²	108	50.7 Å²	50.7	76%	0.755	29%	0.287	S	S	*	.	P	Polyproline II helix	trans	-85.3	137.7	172	-63.9	0	0	0	0	110.5
592	P	88.7	Confident	86.9	Confident	51 Å²	51	49.4 Å²	49.4	33%	0.331	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-57.8	143.4	176.6	-24.2	34.4	0	0	0	112.4	I550 Q586	I550-P592 HydrophobicContact CG2-CB 3.99Å; I550-P592 HydrophobicContact CG2-CG 3.59Å; Q586-P592 HydrophobicContact CG-CG 4.06Å
593	Q	82.2	Confident	85.8	Confident	66 Å²	66	56.3 Å²	56.3	31%	0.308	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-63.2	165.4	170.1	-64.2	-169.8	64.1	0	0	111	Y546 E581	Y546-Q593 WeakPolarHBondContact CE1-O 3.46Å; Y546-Q593 VanDerWaalsContact CZ-O 3.26Å; Y546-Q593 PolarHBondContact OH-O 3.29Å; E581-Q593 VanDerWaalsContact CD-NE2 3.3Å; E581-Q593 WeakPolarHBondContact OE1-CG 3.49Å; E581-Q593 PolarHBondContact OE1-NE2 3.19Å; E581-Q593 PolarHBondContact OE2-NE2 2.55Å
594	N	89.3	Confident	84.8	Confident	84 Å²	84	63 Å²	63	45%	0.449	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-68.6	154.4	166.1	71.3	74.8	0	0	0	110.2	K596 D597 F598	N594-K596 PolarHBondContact O-N 3.27Å; N594-K596 VanDerWaalsContact O-N 3.16Å; N594-K596 WeakPolarHBondContact OD1-CB 3.37Å; N594-K596 PolarHBondContact OD1-N 3.17Å; N594-K596 VanDerWaalsContact OD1-N 3.1Å; N594-D597 PolarHBondContact ND2-OD2 3.27Å; N594-D597 PolarHBondContact O-N 3.09Å; N594-D597 PolarHBondContact OD1-N 3.2Å; N594-F598 WeakPolarHBondContact O-CB 3.28Å; N594-F598 PolarHBondContact O-N 2.77Å
595	S	84.1	Confident	84.1	Confident	52 Å²	52	63.7 Å²	63.7	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-61	-28.2	-173.4	60.3	0	0	0	0	114.2	V599	S595-V599 WeakPolarHBondContact O-CG2 3.2Å; S595-V599 PolarHBondContact O-N 2.65Å; S595-V599 VanDerWaalsContact O-N 3.11Å
596	K	77.6	Confident	83.7	Confident	153 Å²	153	67 Å²	67	67%	0.665	36%	0.361	S	S	*	.	H	α-helix	trans	-71.3	-49.4	178.9	-173.3	-178.6	177.6	-176.2	0	110.8	N594 F598 V599 Q600	N594-K596 PolarHBondContact O-N 3.27Å; N594-K596 VanDerWaalsContact O-N 3.16Å; N594-K596 WeakPolarHBondContact OD1-CB 3.37Å; N594-K596 PolarHBondContact OD1-N 3.17Å; N594-K596 VanDerWaalsContact OD1-N 3.1Å; K596-F598 VanDerWaalsContact C-N 3.32Å; K596-F598 PolarHBondContact O-N 2.96Å; K596-V599 PolarHBondContact O-N 3.1Å; K596-Q600 WeakPolarHBondContact O-CG 3.12Å; K596-Q600 PolarHBondContact O-N 3.02Å; K596-Q600 VanDerWaalsContact O-N 3.16Å
597	D	72.9	Confident	83.9	Confident	78 Å²	78	66.8 Å²	66.8	42%	0.417	36%	0.359	S	S	.	.	H	α-helix	trans	-66.7	-37.5	178.9	-66.7	-17.3	0	0	0	111.2	N594 V599 Q600 M601	N594-D597 PolarHBondContact ND2-OD2 3.27Å; N594-D597 PolarHBondContact O-N 3.09Å; N594-D597 PolarHBondContact OD1-N 3.2Å; D597-V599 PolarHBondContact O-N 3.05Å; D597-Q600 PolarHBondContact O-N 2.99Å; D597-M601 PolarHBondContact O-N 2.87Å
598	F	80.7	Confident	84.1	Confident	0 Å²	0	66.2 Å²	66.2	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-55.6	-49.9	172.1	-178.5	-99.8	0	0	0	111.7	W505 Y546 Y549 I550 E581 A582 N594 K596 Q600 M601 V602	W505-F598 HydrophobicContact CH2-CE1 4.17Å; Y546-F598 HydrophobicContact CD2-CD1 4.3Å; Y546-F598 HydrophobicContact CE2-CB 3.9Å; Y546-F598 AromaticContact CE2-CD1 3.62Å; Y546-F598 HydrophobicContact CE2-CD1 3.62Å; Y546-F598 HydrophobicContact CE2-CD2 4.12Å; Y546-F598 HydrophobicContact CE2-CE1 4.15Å; Y546-F598 AromaticContact CE2-CG 3.6Å; Y546-F598 HydrophobicContact CE2-CG 3.6Å; Y549-F598 AromaticContact CE1-CE1 3.94Å; Y549-F598 HydrophobicContact CE1-CE1 3.94Å; Y549-F598 AromaticContact CE1-CZ 3.74Å; Y549-F598 HydrophobicContact CE1-CZ 3.74Å; I550-F598 HydrophobicContact CD1-CE2 4.09Å; I550-F598 HydrophobicContact CD1-CZ 4.29Å; E581-F598 HydrophobicContact CB-CE2 4.15Å; E581-F598 HydrophobicContact CG-CE2 4.41Å; A582-F598 HydrophobicContact CB-CZ 4.46Å; N594-F598 WeakPolarHBondContact O-CB 3.28Å; N594-F598 PolarHBondContact O-N 2.77Å; K596-F598 VanDerWaalsContact C-N 3.32Å; K596-F598 PolarHBondContact O-N 2.96Å; F598-Q600 VanDerWaalsContact C-N 3.31Å; F598-Q600 PolarHBondContact O-N 3.07Å; F598-M601 HydrophobicContact CD2-CE 4.09Å; F598-M601 HydrophobicContact CE2-CE 4.07Å; F598-M601 PolarHBondContact O-N 3.07Å; F598-V602 HydrophobicContact CD1-CG2 4.08Å; F598-V602 HydrophobicContact CE1-CG2 3.72Å; F598-V602 HydrophobicContact CE2-CG2 4.2Å; F598-V602 HydrophobicContact CG-CG2 4.48Å; F598-V602 HydrophobicContact CZ-CG2 3.77Å; F598-V602 VanDerWaalsContact O-CG2 3.27Å; F598-V602 WeakPolarHBondContact O-CG2 3.4Å; F598-V602 PolarHBondContact O-N 2.96Å
599	V	77.1	Confident	84.3	Confident	30 Å²	30	65 Å²	65	18%	0.182	35%	0.353	C	S	.	.	H	α-helix	trans	-60	-40.6	178	170.1	0	0	0	0	111.7	W502 W505 S595 K596 D597 V602 R603	W502-V599 HydrophobicContact CZ3-CG2 4.26Å; W505-V599 HydrophobicContact CZ2-CG2 4.11Å; S595-V599 WeakPolarHBondContact O-CG2 3.2Å; S595-V599 PolarHBondContact O-N 2.65Å; S595-V599 VanDerWaalsContact O-N 3.11Å; K596-V599 PolarHBondContact O-N 3.1Å; D597-V599 PolarHBondContact O-N 3.05Å; V599-V602 PolarHBondContact O-N 3.47Å; V599-R603 WeakPolarHBondContact O-CG 3.42Å; V599-R603 PolarHBondContact O-N 3.28Å
600	Q	68.7	Low	84.7	Confident	75 Å²	75	63.3 Å²	63.3	35%	0.35	33%	0.327	S	S	.	.	H	α-helix	trans	-66.9	-37.3	178.2	-65.2	-56.4	-38	0	0	112.6	K596 D597 F598	K596-Q600 WeakPolarHBondContact O-CG 3.12Å; K596-Q600 PolarHBondContact O-N 3.02Å; K596-Q600 VanDerWaalsContact O-N 3.16Å; D597-Q600 PolarHBondContact O-N 2.99Å; F598-Q600 VanDerWaalsContact C-N 3.31Å; F598-Q600 PolarHBondContact O-N 3.07Å
601	M	85.2	Confident	85	Confident	40 Å²	40	59.8 Å²	59.8	20%	0.197	31%	0.31	C	S	.	.	H	α-helix	trans	-66.2	-47.2	174.8	179.6	-74.4	-63.9	0	0	110.8	E581 D597 F598 R603 K604 I605	E581-M601 HydrophobicContact CB-CE 3.48Å; E581-M601 VanDerWaalsContact CB-CE 3.48Å; E581-M601 HydrophobicContact CG-CE 4.17Å; E581-M601 WeakPolarHBondContact OE2-CE 3.4Å; D597-M601 PolarHBondContact O-N 2.87Å; F598-M601 HydrophobicContact CD2-CE 4.09Å; F598-M601 HydrophobicContact CE2-CE 4.07Å; F598-M601 PolarHBondContact O-N 3.07Å; M601-R603 PolarHBondContact O-N 2.97Å; M601-K604 WeakPolarHBondContact O-CB 3.34Å; M601-K604 PolarHBondContact O-N 3.16Å; M601-I605 HydrophobicContact CE-CD1 4.49Å; M601-I605 HydrophobicContact SD-CD1 3.56Å; M601-I605 VanDerWaalsContact SD-CD1 3.56Å; M601-I605 HydrophobicContact SD-CG1 4.17Å
602	V	80.3	Confident	85.3	Confident	15 Å²	15	54.8 Å²	54.8	9%	0.091	28%	0.275	C	S	.	.	H	α-helix	trans	-56.2	-37.3	-178.8	169.1	0	0	0	0	112.4	W505 A577 F598 V599 K604 I605	W505-V602 HydrophobicContact CH2-CG1 3.93Å; W505-V602 HydrophobicContact CH2-CG2 4.43Å; W505-V602 HydrophobicContact CZ3-CG1 4.4Å; A577-V602 HydrophobicContact CB-CG1 3.6Å; A577-V602 WeakPolarHBondContact CB-O 3.48Å; F598-V602 HydrophobicContact CD1-CG2 4.08Å; F598-V602 HydrophobicContact CE1-CG2 3.72Å; F598-V602 HydrophobicContact CE2-CG2 4.2Å; F598-V602 HydrophobicContact CG-CG2 4.48Å; F598-V602 HydrophobicContact CZ-CG2 3.77Å; F598-V602 VanDerWaalsContact O-CG2 3.27Å; F598-V602 WeakPolarHBondContact O-CG2 3.4Å; F598-V602 PolarHBondContact O-N 2.96Å; V599-V602 PolarHBondContact O-N 3.47Å; V602-K604 PolarHBondContact O-N 2.7Å; V602-I605 PolarHBondContact O-N 3.09Å
603	R	73.1	Confident	85.7	Confident	144 Å²	144	52.4 Å²	52.4	54%	0.543	26%	0.259	S	S	.	.	H	α-helix	trans	-62.8	-24.7	178.3	-74	173.3	176.5	-173.3	-4.4	114	V599 M601	V599-R603 WeakPolarHBondContact O-CG 3.42Å; V599-R603 PolarHBondContact O-N 3.28Å; M601-R603 PolarHBondContact O-N 2.97Å
604	K	77.6	Confident	86.3	Confident	141 Å²	141	50.3 Å²	50.3	61%	0.613	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.2	-13.9	-177.2	-60.8	173.9	-175.5	179.6	0	113.6	M601 V602 P606	M601-K604 WeakPolarHBondContact O-CB 3.34Å; M601-K604 PolarHBondContact O-N 3.16Å; V602-K604 PolarHBondContact O-N 2.7Å; K604-P606 WeakPolarHBondContact O-CD 3.47Å
605	I	83	Confident	86.4	Confident	19 Å²	19	48.2 Å²	48.2	10%	0.097	24%	0.237	C	C	.	.			trans	-80.3	115.5	-175.7	-63.8	169.5	0	0	0	108.7	R390 A577 L580 M601 V602	R390-I605 HydrophobicContact CB-CG2 4.34Å; R390-I605 PolarHBondContact NH1-O 2.82Å; A577-I605 HydrophobicContact CB-CB 4Å; A577-I605 HydrophobicContact CB-CD1 4.4Å; A577-I605 HydrophobicContact CB-CG2 4.24Å; A577-I605 WeakPolarHBondContact O-CD1 3.38Å; L580-I605 HydrophobicContact CB-CD1 4.07Å; L580-I605 HydrophobicContact CD1-CD1 4.43Å; L580-I605 HydrophobicContact CD1-CG2 4.12Å; L580-I605 HydrophobicContact CD2-CD1 4.07Å; L580-I605 HydrophobicContact CD2-CG1 4.46Å; L580-I605 HydrophobicContact CD2-CG2 3.78Å; L580-I605 HydrophobicContact CG-CD1 4.42Å; M601-I605 HydrophobicContact CE-CD1 4.49Å; M601-I605 HydrophobicContact SD-CD1 3.56Å; M601-I605 VanDerWaalsContact SD-CD1 3.56Å; M601-I605 HydrophobicContact SD-CG1 4.17Å; V602-I605 PolarHBondContact O-N 3.09Å
606	P	85.1	Confident	86.4	Confident	75 Å²	75	48 Å²	48	49%	0.487	23%	0.232	S	C	.	.			trans	-71.9	171.1	-179.3	32	-36.6	0	0	0	112	R390 K604 L608 G609	R390-P606 WeakPolarHBondContact CD-O 3.37Å; K604-P606 WeakPolarHBondContact O-CD 3.47Å; P606-L608 PolarHBondContact O-N 3.05Å; P606-G609 PolarHBondContact O-N 3.43Å
607	Y	97.8	Very high	86	Confident	48 Å²	48	44.3 Å²	44.3	19%	0.188	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	139	166.8	-62.5	-55.5	0	0	0	110.4	H391 G392 E393 R394 V397 G609	H391-Y607 AromaticContact CE1-CE1 3.89Å; H391-Y607 WeakPolarHBondContact O-CD1 3.19Å; G392-Y607 WeakPolarHBondContact O-CD1 3.43Å; E393-Y607 HydrophobicContact CB-CD2 3.83Å; E393-Y607 HydrophobicContact CB-CE2 3.88Å; E393-Y607 HydrophobicContact CB-CG 4.3Å; E393-Y607 HydrophobicContact CG-CD2 4.26Å; E393-Y607 HydrophobicContact CG-CE2 3.84Å; R394-Y607 HydrophobicContact CG-CE1 4.2Å; V397-Y607 WeakPolarHBondContact CB-OH 3.32Å; V397-Y607 WeakPolarHBondContact CG1-OH 3.47Å; Y607-G609 PolarHBondContact O-N 2.8Å
608	L	98.3	Very high	85.7	Confident	10 Å²	10	50.1 Å²	50.1	5%	0.052	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	15.6	-172.1	-76.7	-59.5	0	0	0	114.6	R390 H391 Q448 A449 V452 T477 I481 P606 F610	R390-L608 WeakPolarHBondContact O-CA 3.47Å; R390-L608 PolarHBondContact O-N 3.46Å; H391-L608 PolarHBondContact O-N 3.44Å; Q448-L608 HydrophobicContact CB-CD2 3.57Å; Q448-L608 HydrophobicContact CB-CG 3.99Å; A449-L608 HydrophobicContact CB-CD1 4.41Å; V452-L608 HydrophobicContact CB-CD1 4.31Å; V452-L608 HydrophobicContact CG2-CB 3.94Å; V452-L608 HydrophobicContact CG2-CD1 3.98Å; V452-L608 HydrophobicContact CG2-CG 3.92Å; T477-L608 HydrophobicContact CG2-CD1 3.77Å; T477-L608 HydrophobicContact CG2-CD2 4.43Å; I481-L608 HydrophobicContact CD1-CD1 4.14Å; P606-L608 PolarHBondContact O-N 3.05Å; L608-F610 PolarHBondContact O-N 3.31Å
609	G	96.4	Very high	85.4	Confident	12 Å²	12	54.1 Å²	54.1	12%	0.124	29%	0.286	C	S	.	.			trans	-50.8	128.5	166.5	0	0	0	0	0	109.4	C389 R390 P606 Y607	C389-G609 CarbonylContact C-O 3.59Å; C389-G609 WeakPolarHBondContact CA-O 3.32Å; R390-G609 PolarHBondContact N-O 3Å; P606-G609 PolarHBondContact O-N 3.43Å; Y607-G609 PolarHBondContact O-N 2.8Å
610	F	98.2	Very high	85.6	Confident	33 Å²	33	54.6 Å²	54.6	15%	0.145	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	128.3	-163	-163.8	-75	0	0	0	109.4	F387 C389 V452 L456 L572 L608 P627 I629	F387-F610 HydrophobicContact CB-CE1 3.81Å; F387-F610 HydrophobicContact CB-CE2 4.42Å; F387-F610 HydrophobicContact CB-CZ 3.55Å; F387-F610 AromaticContact CD1-CE1 3.57Å; F387-F610 HydrophobicContact CD1-CE1 3.57Å; F387-F610 AromaticContact CD1-CZ 3.94Å; F387-F610 HydrophobicContact CD1-CZ 3.94Å; F387-F610 HydrophobicContact CD2-CZ 4.48Å; F387-F610 HydrophobicContact CE1-CE1 4.39Å; F387-F610 AromaticContact CG-CE1 3.85Å; F387-F610 HydrophobicContact CG-CE1 3.85Å; F387-F610 AromaticContact CG-CZ 3.74Å; F387-F610 HydrophobicContact CG-CZ 3.74Å; C389-F610 HydrophobicContact CB-CB 4.37Å; C389-F610 HydrophobicContact CB-CD2 3.52Å; C389-F610 HydrophobicContact CB-CE2 4.15Å; C389-F610 HydrophobicContact CB-CG 4.18Å; V452-F610 HydrophobicContact CG1-CD2 4.12Å; V452-F610 HydrophobicContact CG1-CE2 4.12Å; L456-F610 HydrophobicContact CD1-CE2 4.37Å; L456-F610 HydrophobicContact CD2-CZ 4.18Å; L572-F610 HydrophobicContact CD1-CE2 4.04Å; L572-F610 HydrophobicContact CD1-CZ 4.34Å; L608-F610 PolarHBondContact O-N 3.31Å; F610-P627 HydrophobicContact CD1-CB 3.7Å; F610-P627 HydrophobicContact CD1-CG 3.98Å; F610-P627 HydrophobicContact CE1-CB 4.09Å; F610-P627 WeakPolarHBondContact O-CG 3.49Å; F610-I629 HydrophobicContact CD2-CD1 4.01Å; F610-I629 HydrophobicContact CE2-CD1 4.09Å; F610-I629 HydrophobicContact CG-CD1 4.23Å; F610-I629 HydrophobicContact CZ-CD1 4.35Å
611	C	97.8	Very high	86.4	Confident	22 Å²	22	55.3 Å²	55.3	15%	0.149	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	155.1	171.6	71.4	0	0	0	0	111.4	F387 V388 L580 L624	F387-C611 WeakPolarHBondContact CA-O 3.4Å; V388-C611 PolarHBondContact N-O 2.87Å; V388-C611 PolarHBondContact O-N 3.12Å; L580-C611 HydrophobicContact CD2-CB 4.36Å; C611-L624 HydrophobicContact CB-CD2 4.13Å
612	S	97.9	Very high	86.8	Confident	3 Å²	3	54.2 Å²	54.2	2%	0.021	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	132.4	177.2	178.8	0	0	0	0	109.4	F387 L624 T625	F387-S612 VanDerWaalsContact CE1-OG 3.32Å; F387-S612 WeakPolarHBondContact CE1-OG 3.33Å; S612-L624 CarbonylContact O-C 3.59Å; S612-L624 WeakPolarHBondContact O-CA 3.47Å; S612-L624 WeakPolarHBondContact O-CD2 3.19Å; S612-T625 PolarHBondContact O-N 3.49Å; S612-T625 WeakPolarHBondContact OG-CG2 3.33Å
613	C	96.2	Very high	87.5	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.8	172.5	-160.5	0	0	0	0	108.4	C385 L386 T584 W622 Q623 L624	C385-C613 WeakPolarHBondContact CA-O 3.37Å; L386-C613 HydrophobicContact CB-CB 4.36Å; L386-C613 PolarHBondContact N-O 2.86Å; L386-C613 PolarHBondContact O-N 2.89Å; T584-C613 HydrophobicContact CG2-CB 4.27Å; C613-W622 HydrophobicContact CB-CE3 4.22Å; C613-W622 VanDerWaalsContact O-CZ3 3.26Å; C613-W622 WeakPolarHBondContact O-CZ3 3.22Å; C613-Q623 CarbonylContact C-O 3.59Å; C613-Q623 VanDerWaalsContact CA-O 3.28Å; C613-Q623 WeakPolarHBondContact CA-O 3.48Å; C613-Q623 VanDerWaalsContact SG-C 3.59Å; C613-Q623 PolarHBondContact SG-O 3.4Å; C613-L624 HydrophobicContact CB-CD2 4.27Å
614	E	94.5	Very high	88.5	Confident	23 Å²	23	54.1 Å²	54.1	11%	0.107	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	142.9	-178.8	63.6	168.1	175.8	0	0	111.5	K383 R384 W622 Q623 T625	K383-E614 WeakPolarHBondContact CD-OE2 3.43Å; K383-E614 IonicContact NZ-OE1 2.69Å; K383-E614 IonicContact NZ-OE2 3.72Å; K383-E614 PolarHBondContact NZ-OE2 2.87Å; R384-E614 WeakPolarHBondContact O-CA 3.24Å; E614-W622 WeakPolarHBondContact O-CA 3.47Å; E614-Q623 HydrophobicContact CG-CG 3.9Å; E614-Q623 PolarHBondContact N-O 2.98Å; E614-Q623 PolarHBondContact O-N 2.89Å; E614-Q623 PolarHBondContact OE1-NE2 2.87Å; E614-T625 HydrophobicContact CB-CG2 3.99Å; E614-T625 HydrophobicContact CG-CG2 3.76Å
615	E	92.6	Very high	89.3	Confident	40 Å²	40	50 Å²	50	19%	0.187	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	121.3	169.4	-171.6	177.4	-130.1	0	0	110.6	R384 G617 W622	R384-E615 HydrophobicContact CB-CB 4.28Å; R384-E615 IonicContact CZ-OE1 3.77Å; R384-E615 IonicContact CZ-OE2 3.99Å; R384-E615 IonicContact NE-OE2 2.83Å; R384-E615 PolarHBondContact NE-OE2 3.02Å; R384-E615 IonicContact NH2-OE1 3.57Å; R384-E615 PolarHBondContact NH2-OE1 2.92Å; R384-E615 IonicContact NH2-OE2 3.39Å; R384-E615 PolarHBondContact NH2-OE2 2.86Å; R384-E615 PolarHBondContact O-N 3.13Å; E615-G617 PolarHBondContact O-N 2.94Å; E615-W622 HydrophobicContact CB-CD2 4.04Å; E615-W622 HydrophobicContact CB-CE3 4.38Å; E615-W622 HydrophobicContact CB-CH2 4.19Å; E615-W622 HydrophobicContact CB-CZ2 3.82Å; E615-W622 HydrophobicContact CB-CZ3 4.44Å; E615-W622 HydrophobicContact CG-CZ2 4.33Å; E615-W622 PolarHBondContact OE1-NE1 3.47Å
616	L	84.3	Confident	89.7	Confident	48 Å²	48	56 Å²	56	25%	0.251	32%	0.321	S	S	.	.			trans	-74.1	113.8	174.7	-69.5	177.9	0	0	0	110.5	E618 T619 G620 I621 Q623	L616-E618 VanDerWaalsContact C-N 3.27Å; L616-E618 PolarHBondContact O-N 3.3Å; L616-E618 VanDerWaalsContact O-N 3.11Å; L616-T619 WeakPolarHBondContact CB-OG1 3.39Å; L616-T619 PolarHBondContact O-N 3.44Å; L616-G620 WeakPolarHBondContact O-CA 3.25Å; L616-G620 PolarHBondContact O-N 3.41Å; L616-I621 WeakPolarHBondContact CB-O 3.41Å; L616-I621 PolarHBondContact N-O 3.2Å; L616-Q623 HydrophobicContact CD1-CG 4.31Å; L616-Q623 HydrophobicContact CG-CG 4.21Å
617	G	68	Low	90.2	Very high	75 Å²	75	54.3 Å²	54.3	77%	0.773	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-26.1	-170	0	0	0	0	0	116.5	E615	E615-G617 PolarHBondContact O-N 2.94Å
618	E	67.4	Low	90	Very high	199 Å²	199	54.5 Å²	54.5	93%	0.93	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-25.8	-179.4	-64.9	-174.5	174.4	0	0	113.5	L616	L616-E618 VanDerWaalsContact C-N 3.27Å; L616-E618 PolarHBondContact O-N 3.3Å; L616-E618 VanDerWaalsContact O-N 3.11Å
619	T	74.7	Confident	90	Very high	85 Å²	85	55.1 Å²	55.1	52%	0.521	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-17.1	-171.6	59.4	0	0	0	0	113.4	L616 I621	L616-T619 WeakPolarHBondContact CB-OG1 3.39Å; L616-T619 PolarHBondContact O-N 3.44Å; T619-I621 HydrophobicContact CG2-CD1 4.44Å; T619-I621 PolarHBondContact O-N 3.15Å; T619-I621 WeakPolarHBondContact OG1-CB 3.34Å; T619-I621 PolarHBondContact OG1-N 3.37Å
620	G	80.1	Confident	89.8	Confident	39 Å²	39	62 Å²	62	40%	0.402	35%	0.354	S	S	.	.			trans	66.6	10.2	-171.4	0	0	0	0	0	113.5	L616	L616-G620 WeakPolarHBondContact O-CA 3.25Å; L616-G620 PolarHBondContact O-N 3.41Å
621	I	86.9	Confident	89.3	Confident	91 Å²	91	66 Å²	66	47%	0.467	38%	0.384	S	S	.	.			trans	-78.8	134.7	178.5	-63.5	171.7	0	0	0	108.5	L616 T619	L616-I621 WeakPolarHBondContact CB-O 3.41Å; L616-I621 PolarHBondContact N-O 3.2Å; T619-I621 HydrophobicContact CG2-CD1 4.44Å; T619-I621 PolarHBondContact O-N 3.15Å; T619-I621 WeakPolarHBondContact OG1-CB 3.34Å; T619-I621 PolarHBondContact OG1-N 3.37Å
622	W	93.5	Very high	88.7	Confident	17 Å²	17	67.9 Å²	67.9	6%	0.064	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	139.5	172.4	-70.6	73.7	0	0	0	109.9	R384 L386 I561 L587 Q588 C613 E614 E615	R384-W622 HydrophobicContact CB-CH2 4.1Å; L386-W622 HydrophobicContact CB-CE3 4.37Å; L386-W622 HydrophobicContact CB-CH2 4.33Å; L386-W622 HydrophobicContact CB-CZ3 3.64Å; I561-W622 HydrophobicContact CD1-CH2 4.07Å; I561-W622 HydrophobicContact CD1-CZ2 3.91Å; I561-W622 HydrophobicContact CG1-CH2 4.34Å; I561-W622 HydrophobicContact CG1-CZ2 4.32Å; I561-W622 HydrophobicContact CG2-CH2 4.34Å; I561-W622 HydrophobicContact CG2-CZ2 3.69Å; L587-W622 HydrophobicContact CD1-CD2 4.28Å; L587-W622 HydrophobicContact CD1-CG 3.97Å; L587-W622 HydrophobicContact CD2-CB 4.19Å; L587-W622 HydrophobicContact CD2-CD2 3.79Å; L587-W622 HydrophobicContact CD2-CE3 3.85Å; L587-W622 HydrophobicContact CD2-CG 3.95Å; L587-W622 HydrophobicContact CG-CB 3.75Å; L587-W622 HydrophobicContact CG-CD2 4.02Å; L587-W622 HydrophobicContact CG-CG 3.64Å; Q588-W622 VanDerWaalsContact CA-O 3.32Å; Q588-W622 WeakPolarHBondContact CA-O 3.29Å; Q588-W622 WeakPolarHBondContact CB-O 3.47Å; Q588-W622 WeakPolarHBondContact CG-O 3.38Å; C613-W622 HydrophobicContact CB-CE3 4.22Å; C613-W622 VanDerWaalsContact O-CZ3 3.26Å; C613-W622 WeakPolarHBondContact O-CZ3 3.22Å; E614-W622 WeakPolarHBondContact O-CA 3.47Å; E615-W622 HydrophobicContact CB-CD2 4.04Å; E615-W622 HydrophobicContact CB-CE3 4.38Å; E615-W622 HydrophobicContact CB-CH2 4.19Å; E615-W622 HydrophobicContact CB-CZ2 3.82Å; E615-W622 HydrophobicContact CB-CZ3 4.44Å; E615-W622 HydrophobicContact CG-CZ2 4.33Å; E615-W622 PolarHBondContact OE1-NE1 3.47Å
623	Q	93.4	Very high	87.9	Confident	74 Å²	74	72.3 Å²	72.3	35%	0.346	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	145.3	175.6	64.9	176.1	14.1	0	0	110.8	C613 E614 L616	C613-Q623 CarbonylContact C-O 3.59Å; C613-Q623 VanDerWaalsContact CA-O 3.28Å; C613-Q623 WeakPolarHBondContact CA-O 3.48Å; C613-Q623 VanDerWaalsContact SG-C 3.59Å; C613-Q623 PolarHBondContact SG-O 3.4Å; E614-Q623 HydrophobicContact CG-CG 3.9Å; E614-Q623 PolarHBondContact N-O 2.98Å; E614-Q623 PolarHBondContact O-N 2.89Å; E614-Q623 PolarHBondContact OE1-NE2 2.87Å; L616-Q623 HydrophobicContact CD1-CG 4.31Å; L616-Q623 HydrophobicContact CG-CG 4.21Å
624	L	95.1	Very high	87.2	Confident	83 Å²	83	76.5 Å²	76.5	44%	0.435	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	137.9	168.7	-74.5	169.8	0	0	0	110.2	T584 C611 S612 C613	T584-L624 HydrophobicContact CG2-CD2 4.38Å; C611-L624 HydrophobicContact CB-CD2 4.13Å; S612-L624 CarbonylContact O-C 3.59Å; S612-L624 WeakPolarHBondContact O-CA 3.47Å; S612-L624 WeakPolarHBondContact O-CD2 3.19Å; C613-L624 HydrophobicContact CB-CD2 4.27Å
625	T	93.3	Very high	86.3	Confident	53 Å²	53	77.5 Å²	77.5	33%	0.325	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	169.5	177.2	-168.4	0	0	0	0	109.4	S612 E614	S612-T625 PolarHBondContact O-N 3.49Å; S612-T625 WeakPolarHBondContact OG-CG2 3.33Å; E614-T625 HydrophobicContact CB-CG2 3.99Å; E614-T625 HydrophobicContact CG-CG2 3.76Å
626	D	92.8	Very high	85.7	Confident	145 Å²	145	80.4 Å²	80.4	78%	0.775	48%	0.477	S	S	*	.			trans	-63.1	132.4	177.2	-71	-39.7	0	0	0	110.3
627	P	95.6	Very high	85.4	Confident	41 Å²	41	84.1 Å²	84.1	27%	0.266	50%	0.502	S	S	.	.			trans	-57.6	151.2	170.9	-26.8	36.6	0	0	0	112.6	F610 I629	F610-P627 HydrophobicContact CD1-CB 3.7Å; F610-P627 HydrophobicContact CD1-CG 3.98Å; F610-P627 HydrophobicContact CE1-CB 4.09Å; F610-P627 WeakPolarHBondContact O-CG 3.49Å; P627-I629 HydrophobicContact CB-CG1 4.41Å; P627-I629 PolarHBondContact O-N 2.77Å; P627-I629 VanDerWaalsContact O-N 3.11Å
628	P	93.8	Very high	85.8	Confident	52 Å²	52	83.7 Å²	83.7	34%	0.338	50%	0.498	S	S	.	.	S	Bend	trans	-74.3	2	178.2	31.6	-35.7	0	0	0	113.8	F387 L456 S459 T461	F387-P628 HydrophobicContact CE1-CG 3.95Å; F387-P628 HydrophobicContact CZ-CG 3.97Å; L456-P628 HydrophobicContact CD2-CG 4.18Å; S459-P628 WeakPolarHBondContact CB-O 3.39Å; T461-P628 HydrophobicContact CG2-CG 3.91Å; T461-P628 WeakPolarHBondContact OG1-CB 3.35Å
629	I	97.1	Very high	86.2	Confident	23 Å²	23	78.2 Å²	78.2	12%	0.118	50%	0.495	C	S	.	.	S	Bend	trans	-130	154.5	-177	60.1	172.8	0	0	0	110.4	V452 A455 L456 F610 P627	V452-I629 HydrophobicContact CG1-CD1 3.81Å; A455-I629 VanDerWaalsContact C-CG2 3.5Å; A455-I629 HydrophobicContact CB-CB 4.03Å; A455-I629 HydrophobicContact CB-CG2 3.73Å; A455-I629 WeakPolarHBondContact O-CG2 3.16Å; L456-I629 HydrophobicContact CD2-CD1 4.34Å; L456-I629 HydrophobicContact CD2-CG2 3.83Å; L456-I629 HydrophobicContact CG-CD1 4.27Å; L456-I629 HydrophobicContact CG-CG2 4.06Å; F610-I629 HydrophobicContact CD2-CD1 4.01Å; F610-I629 HydrophobicContact CE2-CD1 4.09Å; F610-I629 HydrophobicContact CG-CD1 4.23Å; F610-I629 HydrophobicContact CZ-CD1 4.35Å; P627-I629 HydrophobicContact CB-CG1 4.41Å; P627-I629 PolarHBondContact O-N 2.77Å; P627-I629 VanDerWaalsContact O-N 3.11Å
630	L	93.4	Very high	86.4	Confident	157 Å²	157	81 Å²	81	82%	0.822	50%	0.5	S	S	*	.	P	Polyproline II helix	trans	-71.1	154.6	176.2	-63.9	176.3	0	0	0	111.7
631	P	87.6	Confident	86.4	Confident	117 Å²	117	82 Å²	82	76%	0.76	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-67.9	151.2	171.9	29.7	-35.3	0	0	0	111.7
632	L	83.6	Confident	86.3	Confident	61 Å²	61	83.5 Å²	83.5	32%	0.319	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-102.2	128.2	173.9	179.8	62.2	0	0	0	110.3	Q448 L451	Q448-L632 HydrophobicContact CB-CD2 3.85Å; Q448-L632 HydrophobicContact CG-CD2 3.82Å; L451-L632 HydrophobicContact CD1-CD1 4.27Å; L451-L632 HydrophobicContact CD1-CD2 4.47Å
633	T	81.4	Confident	85.4	Confident	95 Å²	95	89.8 Å²	89.8	58%	0.583	52%	0.519	S	S	*	.			trans	-141.2	132.7	176.8	-58.5	0	0	0	0	110.1	Y263	Y263-T633 HydrophobicContact CE2-CG2 4.46Å
634	H	82.4	Confident	84.6	Confident	88 Å²	88	93.3 Å²	93.3	41%	0.407	54%	0.536	S	S	.	.			trans	-151.6	157.6	175	65.4	80.7	0	0	0	110.7	Q448	Q448-H634 PolarHBondContact NE2-NE2 3.41Å
635	G	76.3	Confident	83.4	Confident	44 Å²	44	93 Å²	93	45%	0.454	54%	0.537	S	S	.	.			trans	-79.8	170.9	175.9	0	0	0	0	0	113.5
636	P	78.4	Confident	82.6	Confident	101 Å²	101	96.1 Å²	96.1	66%	0.656	55%	0.552	S	S	*	*			trans	-77.2	164.6	172.4	33.6	-35	0	0	0	111.9	Y313	Y313-P636 WeakPolarHBondContact OH-CD 3.47Å
637	T	78.1	Confident	81.8	Confident	126 Å²	126	94 Å²	94	77%	0.773	54%	0.539	S	S	*	.			trans	-128.7	109	164.4	-57.7	0	0	0	0	107.6
638	G	77.3	Confident	79.7	Confident	67 Å²	67	100.3 Å²	100.3	69%	0.691	57%	0.566	S	S	*	*			trans	-67.5	165.2	-172.3	0	0	0	0	0	114.2	F640	G638-F640 PolarHBondContact O-N 2.88Å
639	G	75.1	Confident	77.6	Confident	84 Å²	84	110.5 Å²	110.5	87%	0.866	61%	0.609	S	S	*	*			trans	-66.1	130.6	169.9	0	0	0	0	0	110.5
640	F	78.9	Confident	76.6	Confident	143 Å²	143	114.9 Å²	114.9	63%	0.627	63%	0.633	S	S	*	*			trans	-118.4	111.9	177	175	-116.4	0	0	0	110.2	G638 W642 T645 L646	G638-F640 PolarHBondContact O-N 2.88Å; F640-W642 HydrophobicContact CE1-CB 3.69Å; F640-W642 HydrophobicContact CZ-CB 3.79Å; F640-T645 HydrophobicContact CE2-CG2 3.96Å; F640-L646 HydrophobicContact CZ-CD1 4.39Å
641	N	81.1	Confident	75.7	Confident	60 Å²	60	112.7 Å²	112.7	32%	0.321	62%	0.623	S	S	.	*			trans	-103.8	97.1	171.6	-174.7	-14	0	0	0	109.6	R643 E644 T645	N641-R643 PolarHBondContact O-N 3.22Å; N641-R643 PolarHBondContact OD1-N 2.63Å; N641-E644 HydrophobicContact CB-CB 4.25Å; N641-E644 HydrophobicContact CB-CG 4.45Å; N641-E644 PolarHBondContact ND2-OE1 3.05Å; N641-E644 PolarHBondContact ND2-OE2 3.15Å; N641-E644 PolarHBondContact O-N 3.1Å; N641-E644 VanDerWaalsContact O-N 3.17Å; N641-T645 PolarHBondContact O-N 2.98Å; N641-T645 PolarHBondContact O-OG1 2.9Å
642	W	83.4	Confident	75.1	Confident	122 Å²	122	112.4 Å²	112.4	46%	0.462	62%	0.616	S	S	.	*	H	α-helix	trans	-56.7	-27.9	-175.7	75	-92.4	0	0	0	114	F640 L646 L647	F640-W642 HydrophobicContact CE1-CB 3.69Å; F640-W642 HydrophobicContact CZ-CB 3.79Å; W642-L646 HydrophobicContact CB-CD1 4.3Å; W642-L646 WeakPolarHBondContact O-CB 3.49Å; W642-L646 WeakPolarHBondContact O-CG 3.49Å; W642-L646 PolarHBondContact O-N 3.01Å; W642-L647 HydrophobicContact CE3-CD1 4.38Å; W642-L647 HydrophobicContact CE3-CG 4.45Å; W642-L647 HydrophobicContact CH2-CD1 4.02Å; W642-L647 HydrophobicContact CZ3-CD1 3.6Å; W642-L647 HydrophobicContact CZ3-CD2 4.36Å; W642-L647 HydrophobicContact CZ3-CG 3.96Å
643	R	75.4	Confident	74.6	Confident	149 Å²	149	115.5 Å²	115.5	56%	0.562	63%	0.633	S	S	*	*	H	α-helix	trans	-71.6	-50.5	178.5	-67.2	-168.8	178.2	88.7	-2.2	111	N641 T645 L647	N641-R643 PolarHBondContact O-N 3.22Å; N641-R643 PolarHBondContact OD1-N 2.63Å; R643-T645 VanDerWaalsContact C-N 3.28Å; R643-T645 PolarHBondContact O-N 3.45Å; R643-L647 HydrophobicContact CB-CD1 4.19Å; R643-L647 HydrophobicContact CG-CD1 4.03Å; R643-L647 WeakPolarHBondContact O-CA 3.49Å; R643-L647 VanDerWaalsContact O-CB 3.24Å; R643-L647 WeakPolarHBondContact O-CB 3.12Å; R643-L647 PolarHBondContact O-N 3.46Å
644	E	75.8	Confident	74.2	Confident	148 Å²	148	116.8 Å²	116.8	69%	0.692	64%	0.637	S	S	*	*	H	α-helix	trans	-64.1	-36.2	178.1	-71.8	166.2	-167.6	0	0	111.6	N641	N641-E644 HydrophobicContact CB-CB 4.25Å; N641-E644 HydrophobicContact CB-CG 4.45Å; N641-E644 PolarHBondContact ND2-OE1 3.05Å; N641-E644 PolarHBondContact ND2-OE2 3.15Å; N641-E644 PolarHBondContact O-N 3.1Å; N641-E644 VanDerWaalsContact O-N 3.17Å
645	T	70.9	Confident	73.6	Confident	76 Å²	76	118.7 Å²	118.7	47%	0.466	65%	0.652	S	S	.	*	H	α-helix	trans	-78.6	-39.4	-178.6	-47.8	0	0	0	0	113.3	F640 N641 R643	F640-T645 HydrophobicContact CE2-CG2 3.96Å; N641-T645 PolarHBondContact O-N 2.98Å; N641-T645 PolarHBondContact O-OG1 2.9Å; R643-T645 VanDerWaalsContact C-N 3.28Å; R643-T645 PolarHBondContact O-N 3.45Å
646	L	75.2	Confident	73.4	Confident	120 Å²	120	124 Å²	124	63%	0.628	67%	0.666	S	S	*	*	H	α-helix	trans	-109.1	-19.4	-168.7	-52.7	178.3	0	0	0	114.4	F640 W642	F640-L646 HydrophobicContact CZ-CD1 4.39Å; W642-L646 HydrophobicContact CB-CD1 4.3Å; W642-L646 WeakPolarHBondContact O-CB 3.49Å; W642-L646 WeakPolarHBondContact O-CG 3.49Å; W642-L646 PolarHBondContact O-N 3.01Å
647	L	77.9	Confident	73	Confident	99 Å²	99	125.8 Å²	125.8	52%	0.518	67%	0.667	S	S	.	*			trans	-107	41.9	-178.9	-57	177.2	0	0	0	111.6	W642 R643 E649	W642-L647 HydrophobicContact CE3-CD1 4.38Å; W642-L647 HydrophobicContact CE3-CG 4.45Å; W642-L647 HydrophobicContact CH2-CD1 4.02Å; W642-L647 HydrophobicContact CZ3-CD1 3.6Å; W642-L647 HydrophobicContact CZ3-CD2 4.36Å; W642-L647 HydrophobicContact CZ3-CG 3.96Å; R643-L647 HydrophobicContact CB-CD1 4.19Å; R643-L647 HydrophobicContact CG-CD1 4.03Å; R643-L647 WeakPolarHBondContact O-CA 3.49Å; R643-L647 VanDerWaalsContact O-CB 3.24Å; R643-L647 WeakPolarHBondContact O-CB 3.12Å; R643-L647 PolarHBondContact O-N 3.46Å; L647-E649 PolarHBondContact O-N 2.86Å
648	Q	50.3	Low	72.6	Confident	175 Å²	175	125.8 Å²	125.8	82%	0.818	66%	0.658	S	S	*	*			trans	-48	107.9	173.1	-72.1	-176.6	-12	0	0	109.6
649	E	50	Low	72.2	Confident	266 Å²	266	131.1 Å²	131.1	100%	1.243	66%	0.655	S	S	*	*			trans	-82	0	167.8	-81.2	-169.4	165.9	0	0	110.5	L647	L647-E649 PolarHBondContact O-N 2.86Å

Retrieved 649 of 649 residues in 1651 ms (Link to these results)

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