A0A077YWJ7_TRITR Loading...

Sulfite oxidase

AlphaFold DB , UniProt , Accession A0A077YWJ7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 517 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.7	Very low	34.5	Very low	237 Å²	237	165.7 Å²	165.7	100%	1.167	82%	0.815	S	S	*	*				0	112.1	0	-157.7	162.4	105.2	0	0	107
2	V	34.8	Very low	34.6	Very low	124 Å²	124	166.8 Å²	166.8	75%	0.752	83%	0.825	S	S	*	*			trans	64.3	89.2	167.8	-170.8	0	0	0	0	116.5
3	L	32.1	Very low	34.2	Very low	152 Å²	152	162.1 Å²	162.1	80%	0.796	81%	0.811	S	S	*	*				91.6	96.7	83	-80.8	157.2	0	0	0	112
4	L	30.6	Very low	33.9	Very low	155 Å²	155	163.9 Å²	163.9	81%	0.812	81%	0.812	S	S	*	*				55.8	116.4	77	-100	176.3	0	0	0	116.5
5	R	33.8	Very low	33.7	Very low	192 Å²	192	164.1 Å²	164.1	73%	0.725	82%	0.816	S	S	*	*				133.6	128.5	122.7	-84.1	-167.7	162.5	-160	-3.4	119.1
6	H	38.3	Very low	33.3	Very low	154 Å²	154	162.3 Å²	162.3	71%	0.713	82%	0.816	S	S	*	*			trans	78.6	143.1	134	-62.3	12	0	0	0	118.9
7	G	35.8	Very low	33.2	Very low	70 Å²	70	162 Å²	162	72%	0.722	82%	0.816	S	S	*	*			cis	162.9	166.4	1.1	0	0	0	0	0	112.2
8	R	37.2	Very low	32.8	Very low	246 Å²	246	158.2 Å²	158.2	93%	0.928	81%	0.807	S	S	*	*			trans	77.2	113.7	162.9	-62.3	180	165.6	-170.9	-4.9	118.7
9	S	32.3	Very low	32.8	Very low	93 Å²	93	161 Å²	161	65%	0.65	81%	0.814	S	S	*	*				83.4	118.8	57.2	88	0	0	0	0	115.4
10	W	40.1	Very low	32.6	Very low	260 Å²	260	156.7 Å²	156.7	99%	0.985	81%	0.812	S	S	*	*			trans	-152.9	138	140.3	-81.8	99.7	0	0	0	110
11	I	29.9	Very low	32.2	Very low	140 Å²	140	153.4 Å²	153.4	72%	0.718	82%	0.816	S	S	*	*			trans	-102.4	141.8	-177.9	-68.6	163.5	0	0	0	108.4
12	L	35.1	Very low	31.9	Very low	179 Å²	179	146.5 Å²	146.5	94%	0.937	80%	0.796	S	S	*	*			trans	-149.6	131.8	149.2	-112.1	147.8	0	0	0	110.4
13	T	29.7	Very low	31.4	Very low	105 Å²	105	148.7 Å²	148.7	64%	0.644	80%	0.803	S	S	*	*			trans	-109.4	154	-161.1	-34.4	0	0	0	0	111.1
14	K	30.1	Very low	31.1	Very low	188 Å²	188	149.3 Å²	149.3	82%	0.817	81%	0.806	S	S	*	*			trans	88.1	111.3	156.5	-57.6	-171.8	179	-177.9	0	117.5
15	L	30.9	Very low	31.1	Very low	167 Å²	167	147 Å²	147	87%	0.874	80%	0.798	S	S	*	*				-158.1	133.1	98.8	-122.1	112.6	0	0	0	111
16	V	27.9	Very low	30.7	Very low	134 Å²	134	142.5 Å²	142.5	81%	0.812	80%	0.802	S	S	*	*			trans	-85.8	130	174	169.6	0	0	0	0	107.8
17	L	31.5	Very low	30.4	Very low	158 Å²	158	141.2 Å²	141.2	83%	0.827	79%	0.792	S	S	*	*			trans	-152.8	116.9	150.7	-104.6	156.4	0	0	0	109.1
18	S	26.5	Very low	30	Very low	93 Å²	93	142.9 Å²	142.9	65%	0.65	80%	0.799	S	S	*	*			trans	-68	128.6	-179.6	41.3	0	0	0	0	113.2
19	F	32.1	Very low	29.9	Very low	212 Å²	212	137.8 Å²	137.8	93%	0.93	78%	0.781	S	S	*	*			trans	-148	137.7	150	-98.6	-80.7	0	0	0	110.1
20	G	28.6	Very low	29.9	Very low	75 Å²	75	135.8 Å²	135.8	77%	0.773	78%	0.775	S	S	*	*			trans	-61.7	145.4	-164.9	0	0	0	0	0	115.4
21	G	24.2	Very low	29.7	Very low	87 Å²	87	125.3 Å²	125.3	90%	0.897	74%	0.741	S	S	*	*			trans	-72.8	123.5	179.5	0	0	0	0	0	112.7
22	A	28.2	Very low	29.9	Very low	92 Å²	92	119.6 Å²	119.6	76%	0.76	71%	0.713	S	S	*	*			trans	-107.7	109.2	150.6	0	0	0	0	0	106.9	L24	A22-L24 PolarHBondContact O-N 2.88Å
23	L	25.5	Very low	29.8	Very low	171 Å²	171	118.4 Å²	118.4	90%	0.895	70%	0.703	S	S	*	*			trans	-72.6	100.7	172.1	-117.2	126.8	0	0	0	108	V25	L23-V25 PolarHBondContact O-N 3.36Å
24	L	25.7	Very low	30.1	Very low	164 Å²	164	118.3 Å²	118.3	86%	0.859	70%	0.698	S	S	*	*			trans	-82.3	101.7	168.3	-99	152.2	0	0	0	108.4	A22 A26	A22-L24 PolarHBondContact O-N 2.88Å; L24-A26 PolarHBondContact O-N 3.06Å
25	V	29.4	Very low	30.4	Very low	107 Å²	107	113.7 Å²	113.7	65%	0.648	68%	0.682	S	S	*	*			trans	-73.3	104.6	166.3	176.5	0	0	0	0	107.3	L23 Y27	L23-V25 PolarHBondContact O-N 3.36Å; V25-Y27 HydrophobicContact CG1-CD2 4.35Å; V25-Y27 PolarHBondContact O-N 2.75Å; V25-Y27 VanDerWaalsContact O-N 3.11Å
26	A	26.2	Very low	30.9	Very low	97 Å²	97	107.3 Å²	107.3	80%	0.802	65%	0.65	S	S	*	*			trans	-70.1	101.9	172.9	0	0	0	0	0	109.6	L24 A28	L24-A26 PolarHBondContact O-N 3.06Å; A26-A28 PolarHBondContact O-N 3.38Å
27	Y	31.2	Very low	31.3	Very low	127 Å²	127	103 Å²	103	50%	0.498	63%	0.629	S	S	.	*			trans	-71.7	113.1	164.2	-103.4	-97.2	0	0	0	108.5	V25 Y29 C402	V25-Y27 HydrophobicContact CG1-CD2 4.35Å; V25-Y27 PolarHBondContact O-N 2.75Å; V25-Y27 VanDerWaalsContact O-N 3.11Å; Y27-Y29 VanDerWaalsContact C-N 3.26Å; Y27-Y29 HydrophobicContact CD1-CD2 4.32Å; Y27-Y29 AromaticContact CD1-CE2 3.73Å; Y27-Y29 HydrophobicContact CD1-CE2 3.73Å; Y27-Y29 HydrophobicContact CG-CE2 4.09Å; Y27-Y29 PolarHBondContact O-N 2.69Å; Y27-C402 PolarHBondContact OH-SG 3.4Å
28	A	27.8	Very low	31.7	Very low	105 Å²	105	97.4 Å²	97.4	87%	0.868	61%	0.606	S	S	*	*			trans	-72.5	82.6	168.8	0	0	0	0	0	109.6	A26	A26-A28 PolarHBondContact O-N 3.38Å
29	Y	35.6	Very low	32.5	Very low	140 Å²	140	96.9 Å²	96.9	55%	0.549	60%	0.595	S	S	.	*			trans	-77.7	115.5	159	-80.9	-85.9	0	0	0	107.3	Y27 S31	Y27-Y29 VanDerWaalsContact C-N 3.26Å; Y27-Y29 HydrophobicContact CD1-CD2 4.32Å; Y27-Y29 AromaticContact CD1-CE2 3.73Å; Y27-Y29 HydrophobicContact CD1-CE2 3.73Å; Y27-Y29 HydrophobicContact CG-CE2 4.09Å; Y27-Y29 PolarHBondContact O-N 2.69Å; Y29-S31 PolarHBondContact O-N 2.81Å
30	G	32.4	Very low	33.1	Very low	51 Å²	51	89.8 Å²	89.8	53%	0.526	57%	0.569	S	S	.	*			trans	-55.5	124	168.7	0	0	0	0	0	108.9
31	S	35.3	Very low	33.9	Very low	39 Å²	39	92.6 Å²	92.6	27%	0.273	56%	0.562	S	S	.	*			trans	-56.9	147.7	-178.4	66.9	0	0	0	0	110.3	Y29 E33 N34 N35	Y29-S31 PolarHBondContact O-N 2.81Å; S31-E33 PolarHBondContact O-N 3.37Å; S31-E33 VanDerWaalsContact O-N 3.15Å; S31-N34 PolarHBondContact O-N 3.47Å; S31-N34 PolarHBondContact OG-N 3.49Å; S31-N35 PolarHBondContact O-N 2.68Å
32	P	34.7	Very low	35.1	Very low	20 Å²	20	91.1 Å²	91.1	13%	0.13	54%	0.536	C	S	.	.	H	α-helix	trans	-57.2	-29.3	174.6	-26.3	36.3	0	0	0	112.5	N34 N35 V36 E154 L156 V158	P32-N34 VanDerWaalsContact C-N 3.34Å; P32-N34 PolarHBondContact O-N 3.28Å; P32-N35 PolarHBondContact O-N 3.23Å; P32-V36 WeakPolarHBondContact O-CB 3.46Å; P32-V36 VanDerWaalsContact O-CG2 3.26Å; P32-V36 WeakPolarHBondContact O-CG2 3.4Å; P32-V36 PolarHBondContact O-N 3.45Å; P32-E154 WeakPolarHBondContact CD-O 3.36Å; P32-E154 WeakPolarHBondContact CG-O 3.49Å; P32-L156 WeakPolarHBondContact CG-O 3.29Å; P32-V158 HydrophobicContact CB-CG2 4.27Å
33	E	32.5	Very low	36.4	Very low	155 Å²	155	87.7 Å²	87.7	72%	0.724	51%	0.506	S	S	*	.	H	α-helix	trans	-61.2	-39.7	173.8	-64.2	-171.6	162.9	0	0	112.1	S31 V36 A37	S31-E33 PolarHBondContact O-N 3.37Å; S31-E33 VanDerWaalsContact O-N 3.15Å; E33-V36 PolarHBondContact O-N 3.42Å; E33-A37 WeakPolarHBondContact O-CB 3.32Å; E33-A37 PolarHBondContact O-N 2.95Å
34	N	34.9	Very low	38	Very low	103 Å²	103	86.7 Å²	86.7	55%	0.551	50%	0.495	S	S	*	.	H	α-helix	trans	-68.6	-37.4	178.2	-75	-12.2	0	0	0	112.5	S31 P32 A38	S31-N34 PolarHBondContact O-N 3.47Å; S31-N34 PolarHBondContact OG-N 3.49Å; P32-N34 VanDerWaalsContact C-N 3.34Å; P32-N34 PolarHBondContact O-N 3.28Å; N34-A38 WeakPolarHBondContact O-CB 3.22Å; N34-A38 PolarHBondContact O-N 3.01Å
35	N	37	Very low	39.9	Very low	90 Å²	90	82.9 Å²	82.9	48%	0.481	48%	0.482	S	S	.	.	H	α-helix	trans	-74	-35.1	177.6	-74.3	-38.2	0	0	0	112.4	S31 P32 N39	S31-N35 PolarHBondContact O-N 2.68Å; P32-N35 PolarHBondContact O-N 3.23Å; N35-N39 PolarHBondContact O-N 3.06Å; N35-N39 VanDerWaalsContact O-N 3.13Å; N35-N39 PolarHBondContact O-ND2 3.22Å
36	V	40.9	Very low	42.1	Very low	33 Å²	33	80.4 Å²	80.4	20%	0.2	46%	0.461	C	S	.	.	H	α-helix	trans	-69.1	-46.3	172.7	169.4	0	0	0	0	110.6	P32 E33 A38 N39 V40 V158 L161	P32-V36 WeakPolarHBondContact O-CB 3.46Å; P32-V36 VanDerWaalsContact O-CG2 3.26Å; P32-V36 WeakPolarHBondContact O-CG2 3.4Å; P32-V36 PolarHBondContact O-N 3.45Å; E33-V36 PolarHBondContact O-N 3.42Å; V36-A38 VanDerWaalsContact C-N 3.32Å; V36-A38 PolarHBondContact O-N 3.34Å; V36-N39 PolarHBondContact O-N 3.07Å; V36-V40 HydrophobicContact CG1-CG2 4.28Å; V36-V40 WeakPolarHBondContact O-CB 3.36Å; V36-V40 VanDerWaalsContact O-CG2 3.24Å; V36-V40 WeakPolarHBondContact O-CG2 3.01Å; V36-V40 PolarHBondContact O-N 3.23Å; V36-V158 HydrophobicContact CG2-CB 4.32Å; V36-V158 HydrophobicContact CG2-CG1 4.08Å; V36-L161 HydrophobicContact CB-CD1 4.36Å; V36-L161 HydrophobicContact CG1-CD1 3.37Å; V36-L161 HydrophobicContact CG1-CG 4.24Å; V36-L161 HydrophobicContact CG2-CD1 4.01Å; V36-L161 HydrophobicContact CG2-CD2 4.47Å; V36-L161 HydrophobicContact CG2-CG 4.09Å
37	A	37.2	Very low	44.7	Very low	44 Å²	44	83.4 Å²	83.4	36%	0.364	46%	0.456	S	S	.	.	H	α-helix	trans	-59.2	-45.2	176.8	0	0	0	0	0	110.4	E33 N39 V40 E41	E33-A37 WeakPolarHBondContact O-CB 3.32Å; E33-A37 PolarHBondContact O-N 2.95Å; A37-N39 PolarHBondContact O-N 3.26Å; A37-V40 PolarHBondContact O-N 3.31Å; A37-E41 VanDerWaalsContact O-CB 3.27Å; A37-E41 WeakPolarHBondContact O-CB 3.48Å; A37-E41 VanDerWaalsContact O-CG 3.32Å; A37-E41 WeakPolarHBondContact O-CG 3.37Å; A37-E41 PolarHBondContact O-N 3.08Å
38	A	40.9	Very low	47.2	Very low	41 Å²	41	78.2 Å²	78.2	34%	0.339	44%	0.438	S	S	.	.	H	α-helix	trans	-58.8	-47.8	176.2	0	0	0	0	0	112.3	N34 V36 V40 E41 V42	N34-A38 WeakPolarHBondContact O-CB 3.22Å; N34-A38 PolarHBondContact O-N 3.01Å; V36-A38 VanDerWaalsContact C-N 3.32Å; V36-A38 PolarHBondContact O-N 3.34Å; A38-V40 PolarHBondContact O-N 3.06Å; A38-E41 PolarHBondContact O-N 2.88Å; A38-V42 WeakPolarHBondContact O-CB 3.41Å; A38-V42 VanDerWaalsContact O-CG2 3.22Å; A38-V42 WeakPolarHBondContact O-CG2 3.49Å; A38-V42 PolarHBondContact O-N 3.13Å
39	N	41.4	Very low	50	Low	81 Å²	81	76.2 Å²	76.2	43%	0.433	42%	0.416	S	S	.	.	H	α-helix	trans	-67	-36	178.7	-73	-27.9	0	0	0	112.8	N35 V36 A37 S43	N35-N39 PolarHBondContact O-N 3.06Å; N35-N39 VanDerWaalsContact O-N 3.13Å; N35-N39 PolarHBondContact O-ND2 3.22Å; V36-N39 PolarHBondContact O-N 3.07Å; A37-N39 PolarHBondContact O-N 3.26Å; N39-S43 PolarHBondContact O-N 3.04Å; N39-S43 VanDerWaalsContact O-N 3.08Å
40	V	46.7	Very low	52.1	Low	63 Å²	63	76.2 Å²	76.2	38%	0.382	43%	0.43	S	S	.	.	H	α-helix	trans	-71.5	-33.8	174.8	174.2	0	0	0	0	111.4	V36 A37 A38 S43 K44	V36-V40 HydrophobicContact CG1-CG2 4.28Å; V36-V40 WeakPolarHBondContact O-CB 3.36Å; V36-V40 VanDerWaalsContact O-CG2 3.24Å; V36-V40 WeakPolarHBondContact O-CG2 3.01Å; V36-V40 PolarHBondContact O-N 3.23Å; A37-V40 PolarHBondContact O-N 3.31Å; A38-V40 PolarHBondContact O-N 3.06Å; V40-S43 PolarHBondContact O-N 3.13Å; V40-S43 PolarHBondContact O-OG 3Å; V40-S43 VanDerWaalsContact O-OG 3.08Å; V40-K44 HydrophobicContact CG1-CD 4.27Å; V40-K44 WeakPolarHBondContact O-CG 3.12Å; V40-K44 PolarHBondContact O-N 2.95Å; V40-K44 VanDerWaalsContact O-N 3.09Å
41	E	44.1	Very low	54.8	Low	135 Å²	135	77.3 Å²	77.3	63%	0.631	42%	0.419	S	S	*	.	H	α-helix	trans	-70.1	-42.9	174.5	-81.5	-174.9	164.7	0	0	111.8	A37 A38 S43 K44 S45	A37-E41 VanDerWaalsContact O-CB 3.27Å; A37-E41 WeakPolarHBondContact O-CB 3.48Å; A37-E41 VanDerWaalsContact O-CG 3.32Å; A37-E41 WeakPolarHBondContact O-CG 3.37Å; A37-E41 PolarHBondContact O-N 3.08Å; A38-E41 PolarHBondContact O-N 2.88Å; E41-S43 VanDerWaalsContact C-N 3.26Å; E41-S43 PolarHBondContact O-N 3.01Å; E41-K44 PolarHBondContact O-N 3.26Å; E41-S45 VanDerWaalsContact O-CB 3.29Å; E41-S45 WeakPolarHBondContact O-CB 3.41Å; E41-S45 PolarHBondContact O-N 2.85Å; E41-S45 PolarHBondContact O-OG 2.69Å
42	V	50.3	Low	57.4	Low	55 Å²	55	80 Å²	80	33%	0.333	44%	0.443	S	S	.	.	H	α-helix	trans	-57.5	-43.4	172.2	171.9	0	0	0	0	109.9	A38 K44 S45 W46 Y120	A38-V42 WeakPolarHBondContact O-CB 3.41Å; A38-V42 VanDerWaalsContact O-CG2 3.22Å; A38-V42 WeakPolarHBondContact O-CG2 3.49Å; A38-V42 PolarHBondContact O-N 3.13Å; V42-K44 PolarHBondContact O-N 3.37Å; V42-S45 PolarHBondContact O-N 2.99Å; V42-S45 PolarHBondContact O-OG 3.31Å; V42-W46 WeakPolarHBondContact O-CB 3.4Å; V42-W46 PolarHBondContact O-N 2.7Å; V42-Y120 HydrophobicContact CG1-CE2 4.15Å
43	S	54.6	Low	60.2	Low	21 Å²	21	84.3 Å²	84.3	15%	0.147	47%	0.465	C	S	.	.	H	α-helix	trans	-66.5	-35.4	179.8	95.9	0	0	0	0	113.9	N39 V40 E41 K77 N115 Y120	N39-S43 PolarHBondContact O-N 3.04Å; N39-S43 VanDerWaalsContact O-N 3.08Å; V40-S43 PolarHBondContact O-N 3.13Å; V40-S43 PolarHBondContact O-OG 3Å; V40-S43 VanDerWaalsContact O-OG 3.08Å; E41-S43 VanDerWaalsContact C-N 3.26Å; E41-S43 PolarHBondContact O-N 3.01Å; S43-K77 PolarHBondContact O-NZ 3.02Å; S43-N115 VanDerWaalsContact CB-CB 3.48Å; S43-N115 VanDerWaalsContact CB-CG 3.48Å; S43-Y120 VanDerWaalsContact CA-OH 3.24Å; S43-Y120 WeakPolarHBondContact CA-OH 3.41Å; S43-Y120 WeakPolarHBondContact CB-OH 3.46Å
44	K	58.9	Low	63.2	Low	149 Å²	149	78.7 Å²	78.7	65%	0.648	44%	0.44	S	S	*	.	H	α-helix	trans	-77.8	-36.9	178.9	-75.1	177	-179.8	178	0	111.9	V40 E41 V42	V40-K44 HydrophobicContact CG1-CD 4.27Å; V40-K44 WeakPolarHBondContact O-CG 3.12Å; V40-K44 PolarHBondContact O-N 2.95Å; V40-K44 VanDerWaalsContact O-N 3.09Å; E41-K44 PolarHBondContact O-N 3.26Å; V42-K44 PolarHBondContact O-N 3.37Å
45	S	65.7	Low	66.1	Low	85 Å²	85	77.3 Å²	77.3	59%	0.594	44%	0.437	S	S	*	.	H	α-helix	trans	-81.1	-36.2	-174.8	58.2	0	0	0	0	113.5	E41 V42 K47	E41-S45 VanDerWaalsContact O-CB 3.29Å; E41-S45 WeakPolarHBondContact O-CB 3.41Å; E41-S45 PolarHBondContact O-N 2.85Å; E41-S45 PolarHBondContact O-OG 2.69Å; V42-S45 PolarHBondContact O-N 2.99Å; V42-S45 PolarHBondContact O-OG 3.31Å; S45-K47 PolarHBondContact O-N 3.26Å
46	W	76.7	Confident	68.9	Low	55 Å²	55	77.8 Å²	77.8	21%	0.208	44%	0.443	C	S	.	.			trans	-65	131.5	-177.3	-171.5	91.5	0	0	0	111.4	V42 P48 F76 K77 Y120	V42-W46 WeakPolarHBondContact O-CB 3.4Å; V42-W46 PolarHBondContact O-N 2.7Å; W46-P48 HydrophobicContact CH2-CB 3.84Å; W46-P48 HydrophobicContact CH2-CG 3.76Å; W46-P48 HydrophobicContact CZ3-CB 4.15Å; W46-P48 VanDerWaalsContact CZ3-CD 3.46Å; W46-P48 HydrophobicContact CZ3-CG 3.56Å; W46-F76 HydrophobicContact CE3-CD1 4.5Å; W46-F76 AromaticContact CE3-CE1 3.83Å; W46-F76 HydrophobicContact CE3-CE1 3.83Å; W46-F76 AromaticContact CZ3-CD1 3.77Å; W46-F76 HydrophobicContact CZ3-CD1 3.77Å; W46-F76 AromaticContact CZ3-CE1 3.54Å; W46-F76 HydrophobicContact CZ3-CE1 3.54Å; W46-K77 WeakPolarHBondContact O-CD 3.42Å; W46-K77 PolarHBondContact O-NZ 2.89Å; W46-Y120 HydrophobicContact CB-CD2 3.68Å; W46-Y120 HydrophobicContact CB-CE2 3.62Å; W46-Y120 AromaticContact CD1-CD2 3.75Å; W46-Y120 AromaticContact CD2-CD2 3.63Å; W46-Y120 HydrophobicContact CD2-CD2 3.63Å; W46-Y120 HydrophobicContact CD2-CE2 4.25Å; W46-Y120 AromaticContact CD2-CG 3.76Å; W46-Y120 HydrophobicContact CD2-CG 3.76Å; W46-Y120 HydrophobicContact CE3-CD1 4.33Å; W46-Y120 HydrophobicContact CE3-CD2 4.13Å; W46-Y120 HydrophobicContact CE3-CE2 4.49Å; W46-Y120 HydrophobicContact CE3-CG 4.01Å; W46-Y120 AromaticContact CG-CD2 3.39Å; W46-Y120 HydrophobicContact CG-CD2 3.39Å; W46-Y120 AromaticContact CG-CE2 3.87Å; W46-Y120 HydrophobicContact CG-CE2 3.87Å; W46-Y120 HydrophobicContact CG-CG 4.04Å; W46-Y120 HydrophobicContact CZ2-CG 4.46Å; W46-Y120 HydrophobicContact CZ3-CG 4.45Å
47	K	80.1	Confident	71.5	Confident	159 Å²	159	77.6 Å²	77.6	69%	0.691	44%	0.44	S	S	*	.			trans	-128.9	142.6	170.2	-68.2	-176.4	-179.4	-179.4	0	107.7	S45	S45-K47 PolarHBondContact O-N 3.26Å
48	P	83.8	Confident	74.2	Confident	18 Å²	18	77.9 Å²	77.9	12%	0.117	44%	0.439	C	S	.	.	P	Polyproline II helix	trans	-55	139.8	172	-15.8	24.6	0	0	0	109.7	W46 K77 A79	W46-P48 HydrophobicContact CH2-CB 3.84Å; W46-P48 HydrophobicContact CH2-CG 3.76Å; W46-P48 HydrophobicContact CZ3-CB 4.15Å; W46-P48 VanDerWaalsContact CZ3-CD 3.46Å; W46-P48 HydrophobicContact CZ3-CG 3.56Å; P48-K77 HydrophobicContact CG-CB 3.98Å; P48-A79 HydrophobicContact CB-CB 3.99Å; P48-A79 HydrophobicContact CG-CB 3.83Å
49	P	85.5	Confident	76.4	Confident	63 Å²	63	77.1 Å²	77.1	41%	0.409	43%	0.433	S	S	.	.	P	Polyproline II helix	trans	-59.6	153.1	176.5	25.6	-33.4	0	0	0	110.8	R51 E124	P49-R51 PolarHBondContact O-N 2.54Å; P49-E124 HydrophobicContact CG-CG 4.07Å
50	V	81.5	Confident	78.7	Confident	141 Å²	141	76.4 Å²	76.4	86%	0.855	44%	0.439	S	S	*	.	P	Polyproline II helix	trans	-72.1	118.4	175.9	179.6	0	0	0	0	108.7
51	R	89.4	Confident	81.1	Confident	74 Å²	74	76.7 Å²	76.7	28%	0.279	44%	0.436	S	S	.	.			trans	-116.8	74	-179.2	-67.6	-67.8	-62.4	-84	1.3	110.7	P49 D53 L54 E124 N130	P49-R51 PolarHBondContact O-N 2.54Å; R51-D53 WeakPolarHBondContact CA-OD1 3.48Å; R51-D53 WeakPolarHBondContact CB-OD1 3.5Å; R51-D53 IonicContact CZ-OD1 2.67Å; R51-D53 IonicContact CZ-OD2 2.76Å; R51-D53 IonicContact NE-OD1 3.38Å; R51-D53 PolarHBondContact NE-OD1 2.83Å; R51-D53 IonicContact NE-OD2 3.64Å; R51-D53 PolarHBondContact NE-OD2 2.93Å; R51-D53 IonicContact NH2-OD2 2.69Å; R51-D53 PolarHBondContact NH2-OD2 3.17Å; R51-D53 PolarHBondContact O-N 3.09Å; R51-L54 HydrophobicContact CB-CB 4.34Å; R51-L54 HydrophobicContact CB-CD1 3.84Å; R51-L54 HydrophobicContact CB-CG 4.09Å; R51-L54 HydrophobicContact CG-CD1 4.24Å; R51-L54 PolarHBondContact O-N 2.99Å; R51-L54 VanDerWaalsContact O-N 3.15Å; R51-E124 IonicContact NH1-OE1 2.79Å; R51-E124 PolarHBondContact NH1-OE1 3.19Å; R51-N130 PolarHBondContact O-ND2 2.86Å
52	A	88.7	Confident	83.4	Confident	96 Å²	96	70.3 Å²	70.3	79%	0.793	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-12.8	178.4	0	0	0	0	0	113.1	L54	A52-L54 VanDerWaalsContact C-N 3.29Å
53	D	93.8	Very high	85.3	Confident	110 Å²	110	74.6 Å²	74.6	59%	0.588	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.3	-15.8	172.4	58.7	-58	0	0	0	113.7	R51	R51-D53 WeakPolarHBondContact CA-OD1 3.48Å; R51-D53 WeakPolarHBondContact CB-OD1 3.5Å; R51-D53 IonicContact CZ-OD1 2.67Å; R51-D53 IonicContact CZ-OD2 2.76Å; R51-D53 IonicContact NE-OD1 3.38Å; R51-D53 PolarHBondContact NE-OD1 2.83Å; R51-D53 IonicContact NE-OD2 3.64Å; R51-D53 PolarHBondContact NE-OD2 2.93Å; R51-D53 IonicContact NH2-OD2 2.69Å; R51-D53 PolarHBondContact NH2-OD2 3.17Å; R51-D53 PolarHBondContact O-N 3.09Å
54	L	95.1	Very high	87.1	Confident	36 Å²	36	79.7 Å²	79.7	19%	0.188	44%	0.44	C	S	.	.	S	Bend	trans	-103.8	150.7	-177.2	-66.3	180	0	0	0	112.6	R51 A52 R127 N130	R51-L54 HydrophobicContact CB-CB 4.34Å; R51-L54 HydrophobicContact CB-CD1 3.84Å; R51-L54 HydrophobicContact CB-CG 4.09Å; R51-L54 HydrophobicContact CG-CD1 4.24Å; R51-L54 PolarHBondContact O-N 2.99Å; R51-L54 VanDerWaalsContact O-N 3.15Å; A52-L54 VanDerWaalsContact C-N 3.29Å; L54-R127 HydrophobicContact CD1-CB 4.36Å; L54-R127 HydrophobicContact CD1-CG 3.44Å; L54-R127 VanDerWaalsContact CD1-CG 3.44Å; L54-N130 PolarHBondContact O-ND2 2.84Å
55	P	95.7	Very high	88.7	Confident	75 Å²	75	73.8 Å²	73.8	49%	0.487	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-64.3	149.1	-178.6	27.9	-36.2	0	0	0	112.4	I57 G129 N130	P55-I57 HydrophobicContact CB-CG1 4.29Å; P55-I57 HydrophobicContact CG-CD1 4.13Å; P55-I57 HydrophobicContact CG-CG1 4.4Å; P55-G129 CarbonylContact O-C 3.6Å; P55-G129 VanDerWaalsContact O-CA 3.29Å; P55-G129 WeakPolarHBondContact O-CA 3.49Å; P55-N130 PolarHBondContact O-N 2.77Å
56	T	95.4	Very high	89.8	Confident	99 Å²	99	73 Å²	73	61%	0.607	41%	0.406	S	S	*	.	B	Isolated β-bridge	trans	-91.6	120.2	167.4	-57.5	0	0	0	0	109.2	N130 P132	T56-N130 CarbonylContact C-O 3.54Å; T56-N130 VanDerWaalsContact CA-O 3.25Å; T56-N130 WeakPolarHBondContact CA-O 3.3Å; T56-P132 HydrophobicContact CG2-CB 4.12Å; T56-P132 HydrophobicContact CG2-CG 4.49Å
57	I	95.5	Very high	90.3	Very high	29 Å²	29	73.5 Å²	73.5	15%	0.149	41%	0.413	C	S	.	.			trans	-123.5	138.9	-175.6	-56.7	166	0	0	0	107.8	P55 E61 V62 W73 I80 N130 L131 P132	P55-I57 HydrophobicContact CB-CG1 4.29Å; P55-I57 HydrophobicContact CG-CD1 4.13Å; P55-I57 HydrophobicContact CG-CG1 4.4Å; I57-E61 HydrophobicContact CG2-CB 3.65Å; I57-E61 HydrophobicContact CG2-CG 3.76Å; I57-V62 HydrophobicContact CG2-CG2 4.31Å; I57-W73 HydrophobicContact CD1-CH2 4.17Å; I57-W73 HydrophobicContact CD1-CZ3 3.9Å; I57-W73 HydrophobicContact CG2-CZ3 4.16Å; I57-I80 HydrophobicContact CB-CD1 3.56Å; I57-I80 HydrophobicContact CD1-CD1 4.35Å; I57-I80 HydrophobicContact CG1-CD1 4.36Å; I57-I80 HydrophobicContact CG2-CD1 4.26Å; I57-N130 PolarHBondContact N-O 3.18Å; I57-L131 WeakPolarHBondContact O-CD2 3.42Å; I57-P132 VanDerWaalsContact O-CD 3.22Å; I57-P132 WeakPolarHBondContact O-CD 3.32Å
58	S	94.1	Very high	90.6	Very high	50 Å²	50	71.6 Å²	71.6	35%	0.35	40%	0.404	S	S	.	.			trans	-74.7	153.4	-179.1	67.5	0	0	0	0	112	A60 E61 V62 D135	S58-A60 PolarHBondContact O-N 3.33Å; S58-E61 PolarHBondContact O-N 2.85Å; S58-E61 PolarHBondContact OG-N 2.84Å; S58-V62 WeakPolarHBondContact O-CG2 3.44Å; S58-V62 PolarHBondContact O-N 2.77Å; S58-D135 WeakPolarHBondContact CA-OD2 2.75Å; S58-D135 WeakPolarHBondContact CB-OD2 3.37Å
59	A	88.2	Confident	90.9	Very high	25 Å²	25	79.8 Å²	79.8	21%	0.207	44%	0.441	C	S	.	.	H	α-helix	trans	-61.7	-26.3	172.9	0	0	0	0	0	112.3	E61 K63 L131 D135	A59-E61 VanDerWaalsContact C-N 3.32Å; A59-K63 VanDerWaalsContact O-CG 3.29Å; A59-K63 WeakPolarHBondContact O-CG 3.33Å; A59-K63 PolarHBondContact O-N 2.96Å; A59-L131 HydrophobicContact CB-CD2 4.01Å; A59-D135 HydrophobicContact CB-CB 3.79Å; A59-D135 PolarHBondContact N-OD2 3.36Å
60	A	89.9	Confident	91.2	Very high	67 Å²	67	79.8 Å²	79.8	55%	0.554	44%	0.44	S	S	*	.	H	α-helix	trans	-67	-33.3	174.2	0	0	0	0	0	112.6	S58	S58-A60 PolarHBondContact O-N 3.33Å
61	E	95.8	Very high	91.7	Very high	69 Å²	69	73.3 Å²	73.3	32%	0.322	40%	0.402	S	S	.	.	H	α-helix	trans	-74.6	-47.2	172.8	-173.6	63.2	-169.5	0	0	110.8	I57 S58 A59 K63 K64 H65	I57-E61 HydrophobicContact CG2-CB 3.65Å; I57-E61 HydrophobicContact CG2-CG 3.76Å; S58-E61 PolarHBondContact O-N 2.85Å; S58-E61 PolarHBondContact OG-N 2.84Å; A59-E61 VanDerWaalsContact C-N 3.32Å; E61-K63 PolarHBondContact O-N 3.23Å; E61-K63 VanDerWaalsContact O-N 3.13Å; E61-K64 VanDerWaalsContact O-CB 3.32Å; E61-K64 WeakPolarHBondContact O-CB 3.19Å; E61-K64 PolarHBondContact O-N 2.83Å; E61-K64 WeakPolarHBondContact OE2-CD 3.24Å; E61-K64 WeakPolarHBondContact OE2-CE 3.3Å; E61-K64 IonicContact OE2-NZ 3.82Å; E61-K64 PolarHBondContact OE2-NZ 3.17Å; E61-H65 PolarHBondContact O-CD2 3.01Å; E61-H65 IonicContact OE1-NE2 2.76Å
62	V	92.4	Very high	91.8	Very high	1 Å²	1	70 Å²	70	1%	0.006	39%	0.39	C	S	.	.	H	α-helix	trans	-51.7	-40.1	176.6	175.5	0	0	0	0	111.8	I57 S58 K64 H65 W73 T75 I80 G101 L131	I57-V62 HydrophobicContact CG2-CG2 4.31Å; S58-V62 WeakPolarHBondContact O-CG2 3.44Å; S58-V62 PolarHBondContact O-N 2.77Å; V62-K64 PolarHBondContact O-N 3.46Å; V62-H65 WeakPolarHBondContact O-CB 3.29Å; V62-H65 PolarHBondContact O-N 2.76Å; V62-W73 HydrophobicContact CG1-CB 3.93Å; V62-W73 HydrophobicContact CG2-CE3 4.27Å; V62-T75 HydrophobicContact CB-CG2 4.45Å; V62-T75 HydrophobicContact CG1-CG2 3.87Å; V62-T75 HydrophobicContact CG2-CG2 4.17Å; V62-I80 HydrophobicContact CG2-CD1 3.76Å; V62-I80 HydrophobicContact CG2-CG1 4.13Å; V62-I80 HydrophobicContact CG2-CG2 3.87Å; V62-G101 WeakPolarHBondContact O-CA 3.47Å; V62-L131 HydrophobicContact CG2-CD2 4.32Å
63	K	90	Very high	92.1	Very high	144 Å²	144	67.2 Å²	67.2	63%	0.626	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-16.3	177.4	-81.4	176.1	-179.5	-176.8	0	115.3	A59 E61 V66 G101	A59-K63 VanDerWaalsContact O-CG 3.29Å; A59-K63 WeakPolarHBondContact O-CG 3.33Å; A59-K63 PolarHBondContact O-N 2.96Å; E61-K63 PolarHBondContact O-N 3.23Å; E61-K63 VanDerWaalsContact O-N 3.13Å; K63-V66 WeakPolarHBondContact O-CG1 3.47Å; K63-G101 WeakPolarHBondContact CG-O 3.3Å
64	K	92.5	Very high	92.1	Very high	129 Å²	129	62 Å²	62	56%	0.561	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-16.8	176.4	-58.6	177.6	-173.1	164.6	0	112.9	E61 V62 V66 T70	E61-K64 VanDerWaalsContact O-CB 3.32Å; E61-K64 WeakPolarHBondContact O-CB 3.19Å; E61-K64 PolarHBondContact O-N 2.83Å; E61-K64 WeakPolarHBondContact OE2-CD 3.24Å; E61-K64 WeakPolarHBondContact OE2-CE 3.3Å; E61-K64 IonicContact OE2-NZ 3.82Å; E61-K64 PolarHBondContact OE2-NZ 3.17Å; V62-K64 PolarHBondContact O-N 3.46Å; K64-V66 PolarHBondContact O-N 3.06Å; K64-T70 PolarHBondContact O-OG1 2.98Å
65	H	93.8	Very high	92.1	Very high	24 Å²	24	60.7 Å²	60.7	11%	0.111	33%	0.325	C	S	.	.			trans	-96.8	81.6	-176	-69.9	-86.4	0	0	0	109.8	E61 V62 T70 G71 W73	E61-H65 PolarHBondContact O-CD2 3.01Å; E61-H65 IonicContact OE1-NE2 2.76Å; V62-H65 WeakPolarHBondContact O-CB 3.29Å; V62-H65 PolarHBondContact O-N 2.76Å; H65-T70 PolarHBondContact CE1-O 2.92Å; H65-T70 VanDerWaalsContact CE1-O 3.28Å; H65-T70 PolarHBondContact ND1-O 3.38Å; H65-G71 CarbonylContact C-O 2.84Å; H65-G71 WeakPolarHBondContact CA-O 3.19Å; H65-G71 WeakPolarHBondContact CB-O 3.29Å; H65-W73 HydrophobicContact CB-CB 3.66Å; H65-W73 HydrophobicContact CB-CD2 3.61Å; H65-W73 HydrophobicContact CB-CE3 4.06Å; H65-W73 HydrophobicContact CB-CG 3.43Å; H65-W73 VanDerWaalsContact CB-CG 3.43Å; H65-W73 AromaticContact CD2-CD2 3.63Å; H65-W73 AromaticContact CD2-CE3 3.3Å; H65-W73 AromaticContact CD2-CH2 3.86Å; H65-W73 AromaticContact CD2-CZ3 3.41Å; H65-W73 VanDerWaalsContact CD2-CZ3 3.41Å; H65-W73 WeakPolarHBondContact CD2-CZ3 3.22Å; H65-W73 AromaticContact CE1-CE2 3.79Å; H65-W73 AromaticContact CE1-CH2 3.55Å; H65-W73 AromaticContact CE1-CZ2 3.49Å; H65-W73 VanDerWaalsContact CE1-CZ2 3.49Å; H65-W73 WeakPolarHBondContact CE1-CZ2 3.48Å; H65-W73 AromaticContact CE1-CZ3 3.93Å; H65-W73 AromaticContact CG-CD2 3.38Å; H65-W73 AromaticContact CG-CE2 3.66Å; H65-W73 AromaticContact CG-CE3 3.6Å; H65-W73 AromaticContact CG-CG 3.79Å; H65-W73 AromaticContact ND1-CD2 3.75Å; H65-W73 AromaticContact ND1-CE2 3.48Å; H65-W73 AromaticContact ND1-CZ2 3.69Å; H65-W73 AromaticContact ND1-NE1 3.87Å; H65-W73 AromaticContact NE2-CE3 3.78Å; H65-W73 AromaticContact NE2-CH2 3.4Å; H65-W73 WeakPolarHBondContact NE2-CH2 3.25Å; H65-W73 AromaticContact NE2-CZ2 3.81Å; H65-W73 AromaticContact NE2-CZ3 3.37Å; H65-W73 WeakPolarHBondContact NE2-CZ3 3.34Å; H65-W73 PolarHBondContact O-N 2.82Å
66	V	87.9	Confident	91.9	Very high	68 Å²	68	57.4 Å²	57.4	41%	0.412	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	-1	-171.3	-63.4	0	0	0	0	114.4	K63 K64 T70 G71 A100	K63-V66 WeakPolarHBondContact O-CG1 3.47Å; K64-V66 PolarHBondContact O-N 3.06Å; V66-T70 PolarHBondContact N-OG1 2.8Å; V66-G71 PolarHBondContact N-O 2.73Å; V66-A100 HydrophobicContact CB-CB 4.23Å; V66-A100 HydrophobicContact CG1-CB 4.38Å
67	D	87.7	Confident	91.5	Very high	66 Å²	66	55.7 Å²	55.7	35%	0.353	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	173	-178.5	58.3	50.9	0	0	0	111.2	E69 T70 G71 I72	D67-E69 VanDerWaalsContact C-N 3.28Å; D67-E69 PolarHBondContact O-N 2.8Å; D67-E69 PolarHBondContact OD1-N 3.44Å; D67-T70 PolarHBondContact O-OG1 3.25Å; D67-T70 PolarHBondContact OD1-N 2.73Å; D67-T70 PolarHBondContact OD1-OG1 3.16Å; D67-G71 CarbonylContact O-C 2.94Å; D67-G71 VanDerWaalsContact O-CA 3.22Å; D67-G71 WeakPolarHBondContact O-CA 3.4Å; D67-G71 PolarHBondContact O-N 3.11Å; D67-I72 VanDerWaalsContact C-CG1 3.42Å; D67-I72 WeakPolarHBondContact O-CG1 3.5Å; D67-I72 PolarHBondContact O-N 3.23Å
68	K	87.1	Confident	91.3	Very high	119 Å²	119	54.8 Å²	54.8	52%	0.517	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-19.8	-177	-71.4	-165.3	177	-173	0	114.5	I72 D88	K68-I72 HydrophobicContact CG-CD1 4.07Å; K68-D88 WeakPolarHBondContact CE-OD1 3.49Å; K68-D88 IonicContact NZ-OD1 3.93Å; K68-D88 PolarHBondContact NZ-OD1 2.95Å; K68-D88 IonicContact NZ-OD2 3.72Å; K68-D88 PolarHBondContact NZ-OD2 3.3Å
69	E	89	Confident	91.3	Very high	190 Å²	190	52.4 Å²	52.4	89%	0.888	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-40.3	-179.7	-63.6	-175.3	173.8	0	0	110.6	D67	D67-E69 VanDerWaalsContact C-N 3.28Å; D67-E69 PolarHBondContact O-N 2.8Å; D67-E69 PolarHBondContact OD1-N 3.44Å
70	T	90.8	Very high	91.7	Very high	63 Å²	63	51.2 Å²	51.2	39%	0.387	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-25.2	176.2	54.9	0	0	0	0	112.2	K64 H65 V66 D67	K64-T70 PolarHBondContact O-OG1 2.98Å; H65-T70 PolarHBondContact CE1-O 2.92Å; H65-T70 VanDerWaalsContact CE1-O 3.28Å; H65-T70 PolarHBondContact ND1-O 3.38Å; V66-T70 PolarHBondContact N-OG1 2.8Å; D67-T70 PolarHBondContact O-OG1 3.25Å; D67-T70 PolarHBondContact OD1-N 2.73Å; D67-T70 PolarHBondContact OD1-OG1 3.16Å
71	G	92.1	Very high	92	Very high	6 Å²	6	48 Å²	48	6%	0.062	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	98.8	144.6	-164.3	0	0	0	0	0	109.7	H65 V66 D67 S84	H65-G71 CarbonylContact C-O 2.84Å; H65-G71 WeakPolarHBondContact CA-O 3.19Å; H65-G71 WeakPolarHBondContact CB-O 3.29Å; V66-G71 PolarHBondContact N-O 2.73Å; D67-G71 CarbonylContact O-C 2.94Å; D67-G71 VanDerWaalsContact O-CA 3.22Å; D67-G71 WeakPolarHBondContact O-CA 3.4Å; D67-G71 PolarHBondContact O-N 3.11Å; G71-S84 WeakPolarHBondContact CA-OG 3.31Å
72	I	92	Very high	92	Very high	5 Å²	5	47 Å²	47	3%	0.026	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	97.2	-179.9	-53.7	175.4	0	0	0	107.3	D67 K68 I83 S84 C87 L97 A100	D67-I72 VanDerWaalsContact C-CG1 3.42Å; D67-I72 WeakPolarHBondContact O-CG1 3.5Å; D67-I72 PolarHBondContact O-N 3.23Å; K68-I72 HydrophobicContact CG-CD1 4.07Å; I72-I83 HydrophobicContact CB-CG1 4.06Å; I72-I83 HydrophobicContact CG2-CD1 3.87Å; I72-I83 HydrophobicContact CG2-CG1 3.68Å; I72-I83 WeakPolarHBondContact O-CG1 3.38Å; I72-I83 PolarHBondContact O-N 3.24Å; I72-S84 PolarHBondContact N-OG 2.91Å; I72-C87 HydrophobicContact CD1-CB 4.27Å; I72-L97 HydrophobicContact CD1-CD2 3.73Å; I72-L97 HydrophobicContact CG2-CD2 4.32Å; I72-A100 HydrophobicContact CG2-CB 3.78Å
73	W	96	Very high	92.1	Very high	37 Å²	37	47.2 Å²	47.2	14%	0.14	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	144.4	-175.9	-62.2	-1	0	0	0	111.6	I57 V62 H65 I80 Y81 D82 G101 I128	I57-W73 HydrophobicContact CD1-CH2 4.17Å; I57-W73 HydrophobicContact CD1-CZ3 3.9Å; I57-W73 HydrophobicContact CG2-CZ3 4.16Å; V62-W73 HydrophobicContact CG1-CB 3.93Å; V62-W73 HydrophobicContact CG2-CE3 4.27Å; H65-W73 HydrophobicContact CB-CB 3.66Å; H65-W73 HydrophobicContact CB-CD2 3.61Å; H65-W73 HydrophobicContact CB-CE3 4.06Å; H65-W73 HydrophobicContact CB-CG 3.43Å; H65-W73 VanDerWaalsContact CB-CG 3.43Å; H65-W73 AromaticContact CD2-CD2 3.63Å; H65-W73 AromaticContact CD2-CE3 3.3Å; H65-W73 AromaticContact CD2-CH2 3.86Å; H65-W73 AromaticContact CD2-CZ3 3.41Å; H65-W73 VanDerWaalsContact CD2-CZ3 3.41Å; H65-W73 WeakPolarHBondContact CD2-CZ3 3.22Å; H65-W73 AromaticContact CE1-CE2 3.79Å; H65-W73 AromaticContact CE1-CH2 3.55Å; H65-W73 AromaticContact CE1-CZ2 3.49Å; H65-W73 VanDerWaalsContact CE1-CZ2 3.49Å; H65-W73 WeakPolarHBondContact CE1-CZ2 3.48Å; H65-W73 AromaticContact CE1-CZ3 3.93Å; H65-W73 AromaticContact CG-CD2 3.38Å; H65-W73 AromaticContact CG-CE2 3.66Å; H65-W73 AromaticContact CG-CE3 3.6Å; H65-W73 AromaticContact CG-CG 3.79Å; H65-W73 AromaticContact ND1-CD2 3.75Å; H65-W73 AromaticContact ND1-CE2 3.48Å; H65-W73 AromaticContact ND1-CZ2 3.69Å; H65-W73 AromaticContact ND1-NE1 3.87Å; H65-W73 AromaticContact NE2-CE3 3.78Å; H65-W73 AromaticContact NE2-CH2 3.4Å; H65-W73 WeakPolarHBondContact NE2-CH2 3.25Å; H65-W73 AromaticContact NE2-CZ2 3.81Å; H65-W73 AromaticContact NE2-CZ3 3.37Å; H65-W73 WeakPolarHBondContact NE2-CZ3 3.34Å; H65-W73 PolarHBondContact O-N 2.82Å; W73-I80 HydrophobicContact CB-CG2 4.39Å; W73-I80 HydrophobicContact CE3-CG2 4.19Å; W73-Y81 CarbonylContact C-O 3.5Å; W73-Y81 VanDerWaalsContact CA-O 3.29Å; W73-Y81 WeakPolarHBondContact CA-O 3.29Å; W73-D82 PolarHBondContact NE1-OD2 3.12Å; W73-G101 VanDerWaalsContact O-CA 3.3Å; W73-G101 WeakPolarHBondContact O-CA 3.35Å; W73-G101 PolarHBondContact O-N 3.27Å; W73-I128 HydrophobicContact CD2-CD1 3.39Å; W73-I128 HydrophobicContact CE3-CD1 3.87Å; W73-I128 HydrophobicContact CG-CD1 3.8Å; W73-I128 HydrophobicContact CH2-CD1 4.06Å; W73-I128 HydrophobicContact CZ2-CD1 3.58Å; W73-I128 HydrophobicContact CZ3-CD1 4.19Å
74	V	94.1	Very high	92.1	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	158.6	176.1	-61.4	0	0	0	0	110	I80 Y81 I83 A99 G102 L104	V74-I80 WeakPolarHBondContact O-CA 3.4Å; V74-Y81 HydrophobicContact CG2-CD2 4.4Å; V74-Y81 PolarHBondContact N-O 3.1Å; V74-Y81 PolarHBondContact O-N 2.69Å; V74-I83 HydrophobicContact CG1-CD1 3.52Å; V74-I83 HydrophobicContact CG1-CG1 3.99Å; V74-I83 HydrophobicContact CG2-CD1 4.36Å; V74-I83 HydrophobicContact CG2-CG1 4.35Å; V74-I83 HydrophobicContact CG2-CG2 3.7Å; V74-A99 HydrophobicContact CG1-CB 4.23Å; V74-A99 WeakPolarHBondContact CG1-O 3Å; V74-G102 WeakPolarHBondContact CA-O 3.45Å; V74-L104 HydrophobicContact CB-CD1 4.5Å; V74-L104 HydrophobicContact CB-CD2 3.92Å; V74-L104 HydrophobicContact CB-CG 4.01Å; V74-L104 HydrophobicContact CG1-CD2 4.13Å; V74-L104 HydrophobicContact CG2-CD1 3.88Å; V74-L104 HydrophobicContact CG2-CD2 3.99Å; V74-L104 HydrophobicContact CG2-CG 3.94Å
75	T	93.2	Very high	91.8	Very high	9 Å²	9	41.5 Å²	41.5	6%	0.055	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	149.9	178	62.6	0	0	0	0	112	V62 A79 I80 G102 P103 L104 L131	V62-T75 HydrophobicContact CB-CG2 4.45Å; V62-T75 HydrophobicContact CG1-CG2 3.87Å; V62-T75 HydrophobicContact CG2-CG2 4.17Å; T75-A79 CarbonylContact C-O 3.57Å; T75-A79 WeakPolarHBondContact CA-O 3.38Å; T75-A79 WeakPolarHBondContact CB-O 3.29Å; T75-I80 HydrophobicContact CG2-CG1 4.1Å; T75-G102 PolarHBondContact N-O 3.22Å; T75-P103 CarbonylContact O-C 3.59Å; T75-P103 WeakPolarHBondContact O-CA 3.45Å; T75-P103 VanDerWaalsContact OG1-CA 3.27Å; T75-P103 WeakPolarHBondContact OG1-CA 3.24Å; T75-L104 WeakPolarHBondContact O-CG 3.48Å; T75-L104 PolarHBondContact O-N 2.85Å; T75-L131 HydrophobicContact CG2-CD1 3.58Å; T75-L131 HydrophobicContact CG2-CD2 3.97Å; T75-L131 HydrophobicContact CG2-CG 3.9Å
76	F	91.5	Very high	91.5	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.026	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.9	120.9	171.1	-177	-116.5	0	0	0	110.7	W46 G78 A79 Y81 L104 E105 W108 Y120 L123	W46-F76 HydrophobicContact CE3-CD1 4.5Å; W46-F76 AromaticContact CE3-CE1 3.83Å; W46-F76 HydrophobicContact CE3-CE1 3.83Å; W46-F76 AromaticContact CZ3-CD1 3.77Å; W46-F76 HydrophobicContact CZ3-CD1 3.77Å; W46-F76 AromaticContact CZ3-CE1 3.54Å; W46-F76 HydrophobicContact CZ3-CE1 3.54Å; F76-G78 PolarHBondContact O-N 3.31Å; F76-A79 PolarHBondContact N-O 2.8Å; F76-A79 WeakPolarHBondContact O-CB 3.42Å; F76-A79 PolarHBondContact O-N 3.47Å; F76-Y81 HydrophobicContact CB-CE2 3.72Å; F76-L104 HydrophobicContact CB-CB 4.23Å; F76-L104 HydrophobicContact CB-CD1 4.14Å; F76-L104 HydrophobicContact CB-CG 4.48Å; F76-L104 HydrophobicContact CD2-CB 4.05Å; F76-L104 HydrophobicContact CG-CB 4.48Å; F76-E105 HydrophobicContact CD2-CG 3.77Å; F76-E105 HydrophobicContact CE2-CG 3.89Å; F76-W108 AromaticContact CD1-CZ3 3.9Å; F76-W108 HydrophobicContact CD1-CZ3 3.9Å; F76-W108 HydrophobicContact CD2-CE3 4.02Å; F76-W108 HydrophobicContact CD2-CZ3 4.17Å; F76-W108 HydrophobicContact CE1-CE3 4.02Å; F76-W108 HydrophobicContact CE1-CH2 4.49Å; F76-W108 AromaticContact CE1-CZ3 3.5Å; F76-W108 HydrophobicContact CE1-CZ3 3.5Å; F76-W108 VanDerWaalsContact CE1-CZ3 3.5Å; F76-W108 HydrophobicContact CE2-CD2 4.36Å; F76-W108 AromaticContact CE2-CE3 3.46Å; F76-W108 HydrophobicContact CE2-CE3 3.46Å; F76-W108 VanDerWaalsContact CE2-CE3 3.46Å; F76-W108 AromaticContact CE2-CZ3 3.8Å; F76-W108 HydrophobicContact CE2-CZ3 3.8Å; F76-W108 HydrophobicContact CG-CZ3 4.22Å; F76-W108 AromaticContact CZ-CE3 3.46Å; F76-W108 HydrophobicContact CZ-CE3 3.46Å; F76-W108 VanDerWaalsContact CZ-CE3 3.46Å; F76-W108 AromaticContact CZ-CZ3 3.45Å; F76-W108 HydrophobicContact CZ-CZ3 3.45Å; F76-W108 VanDerWaalsContact CZ-CZ3 3.45Å; F76-Y120 HydrophobicContact CE1-CD1 4.42Å; F76-Y120 HydrophobicContact CE1-CE1 4.19Å; F76-Y120 HydrophobicContact CZ-CE1 4.28Å; F76-L123 HydrophobicContact CB-CD2 4.17Å; F76-L123 HydrophobicContact CD1-CD2 3.96Å; F76-L123 HydrophobicContact CG-CD2 4.32Å
77	K	88.4	Confident	91.2	Very high	63 Å²	63	39.1 Å²	39.1	27%	0.274	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	40.8	178.6	-62.4	-170	179.8	-173.7	0	113.9	S43 W46 P48 E105	S43-K77 PolarHBondContact O-NZ 3.02Å; W46-K77 WeakPolarHBondContact O-CD 3.42Å; W46-K77 PolarHBondContact O-NZ 2.89Å; P48-K77 HydrophobicContact CG-CB 3.98Å; K77-E105 PolarHBondContact N-OE1 3.27Å
78	G	90.2	Very high	90.6	Very high	10 Å²	10	39.1 Å²	39.1	10%	0.103	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	4.2	178.7	0	0	0	0	0	115.3	F76 L131	F76-G78 PolarHBondContact O-N 3.31Å; G78-L131 PolarHBondContact O-N 2.84Å
79	A	94.9	Very high	89.8	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	157.1	172.3	0	0	0	0	0	112.4	P48 T75 F76 Y81 R127	P48-A79 HydrophobicContact CB-CB 3.99Å; P48-A79 HydrophobicContact CG-CB 3.83Å; T75-A79 CarbonylContact C-O 3.57Å; T75-A79 WeakPolarHBondContact CA-O 3.38Å; T75-A79 WeakPolarHBondContact CB-O 3.29Å; F76-A79 PolarHBondContact N-O 2.8Å; F76-A79 WeakPolarHBondContact O-CB 3.42Å; F76-A79 PolarHBondContact O-N 3.47Å; A79-Y81 HydrophobicContact CB-CD2 4.33Å; A79-Y81 HydrophobicContact CB-CE1 4.12Å; A79-Y81 HydrophobicContact CB-CE2 3.33Å; A79-Y81 WeakPolarHBondContact CB-OH 3.39Å; A79-R127 VanDerWaalsContact CA-CZ 3.49Å; A79-R127 VanDerWaalsContact CB-NH2 3.29Å
80	I	96.4	Very high	89.4	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	130.3	175.5	-51.6	172.3	0	0	0	108.8	I57 V62 W73 V74 T75 R127 I128 G129 N130 L131	I57-I80 HydrophobicContact CB-CD1 3.56Å; I57-I80 HydrophobicContact CD1-CD1 4.35Å; I57-I80 HydrophobicContact CG1-CD1 4.36Å; I57-I80 HydrophobicContact CG2-CD1 4.26Å; V62-I80 HydrophobicContact CG2-CD1 3.76Å; V62-I80 HydrophobicContact CG2-CG1 4.13Å; V62-I80 HydrophobicContact CG2-CG2 3.87Å; W73-I80 HydrophobicContact CB-CG2 4.39Å; W73-I80 HydrophobicContact CE3-CG2 4.19Å; V74-I80 WeakPolarHBondContact O-CA 3.4Å; T75-I80 HydrophobicContact CG2-CG1 4.1Å; I80-R127 WeakPolarHBondContact O-CD 3.33Å; I80-I128 HydrophobicContact CB-CG1 4.26Å; I80-I128 HydrophobicContact CG2-CD1 3.85Å; I80-I128 HydrophobicContact CG2-CG1 3.84Å; I80-I128 WeakPolarHBondContact O-CG1 3.49Å; I80-I128 PolarHBondContact O-N 3.44Å; I80-G129 PolarHBondContact N-O 2.89Å; I80-G129 PolarHBondContact O-N 3.45Å; I80-N130 WeakPolarHBondContact CD1-O 3.39Å; I80-L131 HydrophobicContact CD1-CD2 4Å; I80-L131 HydrophobicContact CD1-CG 4.24Å; I80-L131 HydrophobicContact CG1-CD2 4.12Å; I80-L131 HydrophobicContact CG1-CG 3.94Å
81	Y	96.7	Very high	88.3	Confident	0 Å²	0	25 Å²	25	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	140.7	-176.5	-49	-88	0	0	0	110.6	W73 V74 F76 A79 L123 L126 R127	W73-Y81 CarbonylContact C-O 3.5Å; W73-Y81 VanDerWaalsContact CA-O 3.29Å; W73-Y81 WeakPolarHBondContact CA-O 3.29Å; V74-Y81 HydrophobicContact CG2-CD2 4.4Å; V74-Y81 PolarHBondContact N-O 3.1Å; V74-Y81 PolarHBondContact O-N 2.69Å; F76-Y81 HydrophobicContact CB-CE2 3.72Å; A79-Y81 HydrophobicContact CB-CD2 4.33Å; A79-Y81 HydrophobicContact CB-CE1 4.12Å; A79-Y81 HydrophobicContact CB-CE2 3.33Å; A79-Y81 WeakPolarHBondContact CB-OH 3.39Å; Y81-L123 HydrophobicContact CD1-CD1 3.87Å; Y81-L123 HydrophobicContact CD1-CG 3.73Å; Y81-L123 WeakPolarHBondContact CD1-O 3.26Å; Y81-L123 HydrophobicContact CD2-CD1 3.97Å; Y81-L123 HydrophobicContact CD2-CD2 4.17Å; Y81-L123 HydrophobicContact CD2-CG 4.1Å; Y81-L123 HydrophobicContact CE1-CD1 4.25Å; Y81-L123 HydrophobicContact CE1-CD2 4.16Å; Y81-L123 HydrophobicContact CE1-CG 3.6Å; Y81-L123 VanDerWaalsContact CE1-O 3.28Å; Y81-L123 WeakPolarHBondContact CE1-O 3.44Å; Y81-L123 HydrophobicContact CE2-CD1 4.37Å; Y81-L123 HydrophobicContact CE2-CD2 3.77Å; Y81-L123 HydrophobicContact CE2-CG 4Å; Y81-L123 HydrophobicContact CG-CD1 3.67Å; Y81-L123 HydrophobicContact CG-CG 3.94Å; Y81-L126 CarbonylContact C-O 3.55Å; Y81-L126 WeakPolarHBondContact CA-O 3.28Å; Y81-L126 HydrophobicContact CD1-CB 4.46Å; Y81-R127 HydrophobicContact CD1-CB 4.12Å; Y81-R127 HydrophobicContact CE1-CB 4.19Å; Y81-R127 HydrophobicContact CE1-CG 4.49Å
82	D	96.2	Very high	87.1	Confident	48 Å²	48	25.6 Å²	25.6	26%	0.257	14%	0.14	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	110.5	171.2	-165.6	-30.1	0	0	0	109.4	W73 S84 L126 I128	W73-D82 PolarHBondContact NE1-OD2 3.12Å; D82-S84 WeakPolarHBondContact OD1-CB 3.41Å; D82-S84 PolarHBondContact OD1-N 3.08Å; D82-S84 PolarHBondContact OD1-OG 3Å; D82-L126 PolarHBondContact N-O 3.13Å; D82-I128 HydrophobicContact CB-CD1 4.08Å; D82-I128 HydrophobicContact CB-CG1 4.38Å; D82-I128 HydrophobicContact CB-CG2 3.72Å
83	I	92.8	Very high	86.1	Confident	4 Å²	4	25.9 Å²	25.9	2%	0.021	14%	0.144	C	C	.	.			trans	-101.7	12.3	-178.5	61.5	161	0	0	0	112.2	I72 V74 D85 F86 C87 I96 L126	I72-I83 HydrophobicContact CB-CG1 4.06Å; I72-I83 HydrophobicContact CG2-CD1 3.87Å; I72-I83 HydrophobicContact CG2-CG1 3.68Å; I72-I83 WeakPolarHBondContact O-CG1 3.38Å; I72-I83 PolarHBondContact O-N 3.24Å; V74-I83 HydrophobicContact CG1-CD1 3.52Å; V74-I83 HydrophobicContact CG1-CG1 3.99Å; V74-I83 HydrophobicContact CG2-CD1 4.36Å; V74-I83 HydrophobicContact CG2-CG1 4.35Å; V74-I83 HydrophobicContact CG2-CG2 3.7Å; I83-D85 VanDerWaalsContact C-N 3.33Å; I83-D85 PolarHBondContact O-N 3.14Å; I83-F86 HydrophobicContact CB-CB 4.23Å; I83-F86 HydrophobicContact CB-CD1 4.49Å; I83-F86 HydrophobicContact CG2-CD1 4.48Å; I83-F86 CarbonylContact O-C 3.6Å; I83-F86 WeakPolarHBondContact O-CA 3.36Å; I83-F86 PolarHBondContact O-N 3.44Å; I83-C87 PolarHBondContact O-N 2.87Å; I83-C87 PolarHBondContact O-SG 2.67Å; I83-I96 HydrophobicContact CD1-CD1 3.67Å; I83-I96 HydrophobicContact CD1-CG1 3.75Å; I83-L126 HydrophobicContact CG2-CD1 3.95Å
84	S	91.1	Very high	84.8	Confident	13 Å²	13	30.4 Å²	30.4	9%	0.091	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	-50	-174.8	-58.7	0	0	0	0	113	G71 I72 D82	G71-S84 WeakPolarHBondContact CA-OG 3.31Å; I72-S84 PolarHBondContact N-OG 2.91Å; D82-S84 WeakPolarHBondContact OD1-CB 3.41Å; D82-S84 PolarHBondContact OD1-N 3.08Å; D82-S84 PolarHBondContact OD1-OG 3Å
85	D	86.5	Confident	83.6	Confident	140 Å²	140	32.3 Å²	32.3	75%	0.749	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-30.6	178.3	-66.4	-20.6	0	0	0	111.7	I83 C87	I83-D85 VanDerWaalsContact C-N 3.33Å; I83-D85 PolarHBondContact O-N 3.14Å; D85-C87 VanDerWaalsContact C-N 3.34Å; D85-C87 PolarHBondContact O-N 2.76Å
86	F	86.7	Confident	82.8	Confident	33 Å²	33	32.8 Å²	32.8	15%	0.145	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-30.7	-179.4	-177.6	-118.1	0	0	0	112.7	I83 D88 V89 H90 I96 F122 L126	I83-F86 HydrophobicContact CB-CB 4.23Å; I83-F86 HydrophobicContact CB-CD1 4.49Å; I83-F86 HydrophobicContact CG2-CD1 4.48Å; I83-F86 CarbonylContact O-C 3.6Å; I83-F86 WeakPolarHBondContact O-CA 3.36Å; I83-F86 PolarHBondContact O-N 3.44Å; F86-D88 PolarHBondContact O-N 3.2Å; F86-V89 HydrophobicContact CD2-CG2 3.52Å; F86-V89 HydrophobicContact CE2-CG2 4.04Å; F86-V89 HydrophobicContact CG-CG2 4.37Å; F86-V89 CarbonylContact O-C 3.49Å; F86-V89 VanDerWaalsContact O-CG2 3.23Å; F86-V89 WeakPolarHBondContact O-CG2 3.49Å; F86-V89 PolarHBondContact O-N 3.46Å; F86-H90 HydrophobicContact CD1-CB 4.46Å; F86-H90 HydrophobicContact CE1-CB 4.16Å; F86-H90 AromaticContact CE1-CD2 3.51Å; F86-H90 HydrophobicContact CZ-CB 4.4Å; F86-H90 AromaticContact CZ-CD2 3.77Å; F86-H90 PolarHBondContact O-N 3.44Å; F86-I96 HydrophobicContact CD1-CD1 3.62Å; F86-I96 HydrophobicContact CE1-CD1 3.78Å; F86-F122 HydrophobicContact CD1-CE1 4.21Å; F86-F122 AromaticContact CD2-CE1 3.26Å; F86-F122 HydrophobicContact CD2-CE1 3.26Å; F86-F122 AromaticContact CD2-CZ 3.27Å; F86-F122 HydrophobicContact CD2-CZ 3.27Å; F86-F122 HydrophobicContact CE1-CE1 4.08Å; F86-F122 HydrophobicContact CE2-CD1 4.08Å; F86-F122 AromaticContact CE2-CE1 3.1Å; F86-F122 HydrophobicContact CE2-CE1 3.1Å; F86-F122 AromaticContact CE2-CZ 3.4Å; F86-F122 HydrophobicContact CE2-CZ 3.4Å; F86-F122 VanDerWaalsContact CE2-CZ 3.4Å; F86-F122 AromaticContact CG-CE1 3.82Å; F86-F122 HydrophobicContact CG-CE1 3.82Å; F86-F122 HydrophobicContact CG-CZ 4.09Å; F86-F122 HydrophobicContact CZ-CD1 4.23Å; F86-F122 AromaticContact CZ-CE1 3.54Å; F86-F122 HydrophobicContact CZ-CE1 3.54Å; F86-F122 HydrophobicContact CZ-CZ 4.3Å; F86-L126 HydrophobicContact CB-CD1 3.87Å; F86-L126 HydrophobicContact CD1-CD1 4.31Å; F86-L126 HydrophobicContact CG-CD1 4.07Å
87	C	82.1	Confident	82.3	Confident	10 Å²	10	35.8 Å²	35.8	7%	0.068	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-39	177.6	-76.7	0	0	0	0	112.4	I72 I83 D85 V89 I96 L97	I72-C87 HydrophobicContact CD1-CB 4.27Å; I83-C87 PolarHBondContact O-N 2.87Å; I83-C87 PolarHBondContact O-SG 2.67Å; D85-C87 VanDerWaalsContact C-N 3.34Å; D85-C87 PolarHBondContact O-N 2.76Å; C87-V89 PolarHBondContact O-N 3.21Å; C87-I96 HydrophobicContact CB-CG2 4.17Å; C87-L97 HydrophobicContact CB-CD2 4.34Å
88	D	74.5	Confident	81.8	Confident	65 Å²	65	35.7 Å²	35.7	35%	0.348	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-26.6	179.6	-67.5	-23	0	0	0	112.9	K68 F86 R375	K68-D88 WeakPolarHBondContact CE-OD1 3.49Å; K68-D88 IonicContact NZ-OD1 3.93Å; K68-D88 PolarHBondContact NZ-OD1 2.95Å; K68-D88 IonicContact NZ-OD2 3.72Å; K68-D88 PolarHBondContact NZ-OD2 3.3Å; F86-D88 PolarHBondContact O-N 3.2Å; D88-R375 WeakPolarHBondContact O-CG 3.48Å
89	V	70.9	Confident	81.5	Confident	25 Å²	25	35.5 Å²	35.5	15%	0.152	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.7	-5	-174	-55.3	0	0	0	0	113.1	F86 C87 R246 R375	F86-V89 HydrophobicContact CD2-CG2 3.52Å; F86-V89 HydrophobicContact CE2-CG2 4.04Å; F86-V89 HydrophobicContact CG-CG2 4.37Å; F86-V89 CarbonylContact O-C 3.49Å; F86-V89 VanDerWaalsContact O-CG2 3.23Å; F86-V89 WeakPolarHBondContact O-CG2 3.49Å; F86-V89 PolarHBondContact O-N 3.46Å; C87-V89 PolarHBondContact O-N 3.21Å; V89-R246 PolarHBondContact O-NH1 3.49Å; V89-R375 HydrophobicContact CB-CB 4.11Å; V89-R375 HydrophobicContact CG1-CB 3.9Å
90	H	80	Confident	81.1	Confident	18 Å²	18	36.6 Å²	36.6	8%	0.083	21%	0.205	C	C	.	.			trans	-64.1	130.4	-174.7	179.4	-107.5	0	0	0	112	F86 G92 G93 I96 H114 R375	F86-H90 HydrophobicContact CD1-CB 4.46Å; F86-H90 HydrophobicContact CE1-CB 4.16Å; F86-H90 AromaticContact CE1-CD2 3.51Å; F86-H90 HydrophobicContact CZ-CB 4.4Å; F86-H90 AromaticContact CZ-CD2 3.77Å; F86-H90 PolarHBondContact O-N 3.44Å; H90-G92 VanDerWaalsContact C-N 3.26Å; H90-G92 PolarHBondContact CE1-N 3.14Å; H90-G92 VanDerWaalsContact CE1-N 3.34Å; H90-G92 WeakPolarHBondContact ND1-CA 3.41Å; H90-G92 PolarHBondContact ND1-N 2.98Å; H90-G92 PolarHBondContact O-N 2.83Å; H90-G92 VanDerWaalsContact O-N 3.16Å; H90-G93 PolarHBondContact O-N 2.9Å; H90-I96 HydrophobicContact CB-CB 4.29Å; H90-I96 HydrophobicContact CB-CD1 3.9Å; H90-I96 HydrophobicContact CB-CG2 4.17Å; H90-H114 AromaticContact NE2-NE2 3.63Å; H90-R375 PolarHBondContact O-NH1 3.45Å
91	P	67.8	Low	80.8	Confident	33 Å²	33	37 Å²	37	21%	0.214	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-36.9	-179.3	-33.7	40.2	0	0	0	115.5	G93 R246	P91-G93 PolarHBondContact O-N 3.28Å; P91-R246 HydrophobicContact CG-CB 4.01Å
92	G	66.8	Low	80.4	Confident	19 Å²	19	37.7 Å²	37.7	20%	0.196	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.4	7.1	176.4	0	0	0	0	0	114.6	H90 L94 I95 L360	H90-G92 VanDerWaalsContact C-N 3.26Å; H90-G92 PolarHBondContact CE1-N 3.14Å; H90-G92 VanDerWaalsContact CE1-N 3.34Å; H90-G92 WeakPolarHBondContact ND1-CA 3.41Å; H90-G92 PolarHBondContact ND1-N 2.98Å; H90-G92 PolarHBondContact O-N 2.83Å; H90-G92 VanDerWaalsContact O-N 3.16Å; G92-L94 PolarHBondContact O-N 3.07Å; G92-I95 VanDerWaalsContact O-CB 3.32Å; G92-I95 WeakPolarHBondContact O-CB 3.27Å; G92-I95 WeakPolarHBondContact O-CG1 3.31Å; G92-I95 PolarHBondContact O-N 2.93Å; G92-L360 WeakPolarHBondContact O-CD2 3.24Å
93	G	70.5	Confident	80	Confident	10 Å²	10	37 Å²	37	10%	0.103	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	52.9	-137	-174.9	0	0	0	0	0	111.6	H90 P91 I95 I96	H90-G93 PolarHBondContact O-N 2.9Å; P91-G93 PolarHBondContact O-N 3.28Å; G93-I95 PolarHBondContact O-N 3.29Å; G93-I96 VanDerWaalsContact O-CG2 3.27Å; G93-I96 WeakPolarHBondContact O-CG2 3.32Å; G93-I96 PolarHBondContact O-N 3.27Å
94	L	69.3	Low	79.8	Confident	132 Å²	132	37.3 Å²	37.3	69%	0.691	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-63.8	-11.8	-176.6	-58.1	179	0	0	0	114.4	G92 I96 L97	G92-L94 PolarHBondContact O-N 3.07Å; L94-I96 PolarHBondContact O-N 2.88Å; L94-I96 VanDerWaalsContact O-N 3.14Å; L94-L97 HydrophobicContact CB-CD1 4.27Å; L94-L97 HydrophobicContact CD2-CD1 3.81Å; L94-L97 VanDerWaalsContact O-CB 3.24Å; L94-L97 WeakPolarHBondContact O-CB 3.18Å; L94-L97 WeakPolarHBondContact O-CG 3.38Å; L94-L97 PolarHBondContact O-N 3.24Å
95	I	68.5	Low	79.6	Confident	40 Å²	40	37.6 Å²	37.6	21%	0.205	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-57.4	-29.7	174.8	-64.1	173	0	0	0	111	G92 G93 L97 Q98 L360	G92-I95 VanDerWaalsContact O-CB 3.32Å; G92-I95 WeakPolarHBondContact O-CB 3.27Å; G92-I95 WeakPolarHBondContact O-CG1 3.31Å; G92-I95 PolarHBondContact O-N 2.93Å; G93-I95 PolarHBondContact O-N 3.29Å; I95-L97 PolarHBondContact O-N 3.02Å; I95-Q98 VanDerWaalsContact O-CB 3.27Å; I95-Q98 WeakPolarHBondContact O-CB 3.27Å; I95-Q98 WeakPolarHBondContact O-CG 3.24Å; I95-Q98 PolarHBondContact O-N 3.19Å; I95-L360 HydrophobicContact CD1-CD2 3.85Å; I95-L360 HydrophobicContact CG1-CD2 4.33Å
96	I	76	Confident	79.1	Confident	19 Å²	19	33 Å²	33	10%	0.097	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-58.7	-29.6	175.5	-164.6	173.8	0	0	0	112.8	I83 F86 C87 H90 G93 L94 Q98 A99	I83-I96 HydrophobicContact CD1-CD1 3.67Å; I83-I96 HydrophobicContact CD1-CG1 3.75Å; F86-I96 HydrophobicContact CD1-CD1 3.62Å; F86-I96 HydrophobicContact CE1-CD1 3.78Å; C87-I96 HydrophobicContact CB-CG2 4.17Å; H90-I96 HydrophobicContact CB-CB 4.29Å; H90-I96 HydrophobicContact CB-CD1 3.9Å; H90-I96 HydrophobicContact CB-CG2 4.17Å; G93-I96 VanDerWaalsContact O-CG2 3.27Å; G93-I96 WeakPolarHBondContact O-CG2 3.32Å; G93-I96 PolarHBondContact O-N 3.27Å; L94-I96 PolarHBondContact O-N 2.88Å; L94-I96 VanDerWaalsContact O-N 3.14Å; I96-Q98 PolarHBondContact O-N 3.25Å; I96-A99 WeakPolarHBondContact O-CB 3.42Å; I96-A99 PolarHBondContact O-N 3.47Å
97	L	81.2	Confident	78.7	Confident	69 Å²	69	33.7 Å²	33.7	36%	0.361	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-67	-16.2	179.8	-58.3	-179.5	0	0	0	112.4	I72 C87 L94 I95 A99 A100	I72-L97 HydrophobicContact CD1-CD2 3.73Å; I72-L97 HydrophobicContact CG2-CD2 4.32Å; C87-L97 HydrophobicContact CB-CD2 4.34Å; L94-L97 HydrophobicContact CB-CD1 4.27Å; L94-L97 HydrophobicContact CD2-CD1 3.81Å; L94-L97 VanDerWaalsContact O-CB 3.24Å; L94-L97 WeakPolarHBondContact O-CB 3.18Å; L94-L97 WeakPolarHBondContact O-CG 3.38Å; L94-L97 PolarHBondContact O-N 3.24Å; I95-L97 PolarHBondContact O-N 3.02Å; L97-A99 PolarHBondContact O-N 3.17Å; L97-A100 VanDerWaalsContact O-CB 3.24Å; L97-A100 WeakPolarHBondContact O-CB 3.32Å; L97-A100 PolarHBondContact O-N 3.06Å; L97-A100 VanDerWaalsContact O-N 3.09Å
98	Q	78.5	Confident	78.7	Confident	62 Å²	62	34 Å²	34	29%	0.29	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-60.9	-21.9	170.9	-64.5	-178.1	-11.3	0	0	112.4	I95 I96 H107 D290	I95-Q98 VanDerWaalsContact O-CB 3.27Å; I95-Q98 WeakPolarHBondContact O-CB 3.27Å; I95-Q98 WeakPolarHBondContact O-CG 3.24Å; I95-Q98 PolarHBondContact O-N 3.19Å; I96-Q98 PolarHBondContact O-N 3.25Å; Q98-H107 PolarHBondContact O-CE1 2.89Å; Q98-D290 PolarHBondContact NE2-OD2 2.8Å
99	A	83.7	Confident	78.6	Confident	5 Å²	5	32.2 Å²	32.2	4%	0.041	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-94.4	-5.6	177.5	0	0	0	0	0	114	V74 I96 L97 G101 G102 L104 H107	V74-A99 HydrophobicContact CG1-CB 4.23Å; V74-A99 WeakPolarHBondContact CG1-O 3Å; I96-A99 WeakPolarHBondContact O-CB 3.42Å; I96-A99 PolarHBondContact O-N 3.47Å; L97-A99 PolarHBondContact O-N 3.17Å; A99-G101 PolarHBondContact O-N 3.37Å; A99-G102 WeakPolarHBondContact O-CA 3.47Å; A99-G102 PolarHBondContact O-N 2.94Å; A99-L104 HydrophobicContact CB-CD2 3.79Å; A99-H107 WeakPolarHBondContact CA-NE2 3.33Å
100	A	87.5	Confident	78.4	Confident	24 Å²	24	33.1 Å²	33.1	20%	0.198	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	130.5	-175.2	0	0	0	0	0	111.7	V66 I72 L97 G102	V66-A100 HydrophobicContact CB-CB 4.23Å; V66-A100 HydrophobicContact CG1-CB 4.38Å; I72-A100 HydrophobicContact CG2-CB 3.78Å; L97-A100 VanDerWaalsContact O-CB 3.24Å; L97-A100 WeakPolarHBondContact O-CB 3.32Å; L97-A100 PolarHBondContact O-N 3.06Å; L97-A100 VanDerWaalsContact O-N 3.09Å; A100-G102 PolarHBondContact O-N 2.94Å
101	G	88.5	Confident	78.1	Confident	7 Å²	7	33.5 Å²	33.5	7%	0.072	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.1	8.7	-175.6	0	0	0	0	0	114.8	V62 K63 W73 A99	V62-G101 WeakPolarHBondContact O-CA 3.47Å; K63-G101 WeakPolarHBondContact CG-O 3.3Å; W73-G101 VanDerWaalsContact O-CA 3.3Å; W73-G101 WeakPolarHBondContact O-CA 3.35Å; W73-G101 PolarHBondContact O-N 3.27Å; A99-G101 PolarHBondContact O-N 3.37Å
102	G	88.6	Confident	78.4	Confident	15 Å²	15	33.7 Å²	33.7	16%	0.155	20%	0.195	C	C	.	.	S	Bend	trans	-134	177.2	-169.8	0	0	0	0	0	115.2	V74 T75 A99 A100	V74-G102 WeakPolarHBondContact CA-O 3.45Å; T75-G102 PolarHBondContact N-O 3.22Å; A99-G102 WeakPolarHBondContact O-CA 3.47Å; A99-G102 PolarHBondContact O-N 2.94Å; A100-G102 PolarHBondContact O-N 2.94Å
103	P	88.9	Confident	78.7	Confident	33 Å²	33	36.5 Å²	36.5	21%	0.214	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-74.3	138.2	176	30.5	-33.3	0	0	0	111.7	T75 E105 P106 H107 F137	T75-P103 CarbonylContact O-C 3.59Å; T75-P103 WeakPolarHBondContact O-CA 3.45Å; T75-P103 VanDerWaalsContact OG1-CA 3.27Å; T75-P103 WeakPolarHBondContact OG1-CA 3.24Å; P103-E105 VanDerWaalsContact C-N 3.31Å; P103-E105 VanDerWaalsContact CB-OE2 3.26Å; P103-E105 WeakPolarHBondContact CB-OE2 3.44Å; P103-P106 HydrophobicContact CG-CG 4.22Å; P103-P106 VanDerWaalsContact O-CD 3.32Å; P103-P106 WeakPolarHBondContact O-CD 3.23Å; P103-H107 PolarHBondContact O-CD2 2.91Å; P103-F137 HydrophobicContact CB-CB 3.85Å; P103-F137 HydrophobicContact CB-CD1 4.43Å; P103-F137 HydrophobicContact CB-CD2 4.15Å; P103-F137 HydrophobicContact CB-CG 3.89Å; P103-F137 HydrophobicContact CG-CB 4.26Å; P103-F137 HydrophobicContact CG-CD2 3.64Å; P103-F137 HydrophobicContact CG-CE2 4.11Å; P103-F137 HydrophobicContact CG-CG 3.91Å
104	L	88.4	Confident	79.2	Confident	11 Å²	11	37.2 Å²	37.2	6%	0.058	20%	0.203	C	C	.	.	S	Bend	trans	-73.6	-23.8	173.9	-67.6	-178.9	0	0	0	112	V74 T75 F76 A99 H107 W108 L123	V74-L104 HydrophobicContact CB-CD1 4.5Å; V74-L104 HydrophobicContact CB-CD2 3.92Å; V74-L104 HydrophobicContact CB-CG 4.01Å; V74-L104 HydrophobicContact CG1-CD2 4.13Å; V74-L104 HydrophobicContact CG2-CD1 3.88Å; V74-L104 HydrophobicContact CG2-CD2 3.99Å; V74-L104 HydrophobicContact CG2-CG 3.94Å; T75-L104 WeakPolarHBondContact O-CG 3.48Å; T75-L104 PolarHBondContact O-N 2.85Å; F76-L104 HydrophobicContact CB-CB 4.23Å; F76-L104 HydrophobicContact CB-CD1 4.14Å; F76-L104 HydrophobicContact CB-CG 4.48Å; F76-L104 HydrophobicContact CD2-CB 4.05Å; F76-L104 HydrophobicContact CG-CB 4.48Å; A99-L104 HydrophobicContact CB-CD2 3.79Å; L104-H107 WeakPolarHBondContact O-CB 3.27Å; L104-H107 PolarHBondContact O-N 3.37Å; L104-W108 HydrophobicContact CB-CD2 4.3Å; L104-W108 HydrophobicContact CB-CG 4.43Å; L104-W108 HydrophobicContact CD1-CH2 4.36Å; L104-W108 HydrophobicContact CD1-CZ2 3.84Å; L104-W108 PolarHBondContact O-N 2.79Å; L104-L123 HydrophobicContact CD1-CD1 4.09Å; L104-L123 HydrophobicContact CD1-CD2 3.89Å
105	E	85.8	Confident	79.6	Confident	20 Å²	20	32.1 Å²	32.1	9%	0.093	18%	0.176	C	C	.	.	H	α-helix	trans	-52.4	-47.7	-173	-68	87.8	149.1	0	0	113.9	F76 K77 P103 H107 W108 A109 F137	F76-E105 HydrophobicContact CD2-CG 3.77Å; F76-E105 HydrophobicContact CE2-CG 3.89Å; K77-E105 PolarHBondContact N-OE1 3.27Å; P103-E105 VanDerWaalsContact C-N 3.31Å; P103-E105 VanDerWaalsContact CB-OE2 3.26Å; P103-E105 WeakPolarHBondContact CB-OE2 3.44Å; E105-H107 VanDerWaalsContact C-N 3.32Å; E105-H107 PolarHBondContact O-N 2.77Å; E105-W108 PolarHBondContact O-N 2.94Å; E105-A109 WeakPolarHBondContact O-CB 3.32Å; E105-A109 PolarHBondContact O-N 3.03Å; E105-F137 HydrophobicContact CB-CD1 3.93Å; E105-F137 HydrophobicContact CB-CE1 4.23Å; E105-F137 HydrophobicContact CG-CD1 4.4Å
106	P	77.6	Confident	80.2	Confident	42 Å²	42	32 Å²	32	27%	0.273	18%	0.179	S	C	.	.	H	α-helix	trans	-62.7	-39.1	177.6	-20.9	34.3	0	0	0	112.5	P103 H110 F137 V142	P103-P106 HydrophobicContact CG-CG 4.22Å; P103-P106 VanDerWaalsContact O-CD 3.32Å; P103-P106 WeakPolarHBondContact O-CD 3.23Å; P106-H110 PolarHBondContact O-N 2.9Å; P106-F137 HydrophobicContact CG-CE1 3.9Å; P106-F137 HydrophobicContact CG-CE2 4.28Å; P106-F137 HydrophobicContact CG-CZ 3.69Å; P106-V142 HydrophobicContact CB-CG1 4.38Å; P106-V142 HydrophobicContact CB-CG2 4.45Å; P106-V142 HydrophobicContact CG-CG2 4.41Å
107	H	78.2	Confident	80.3	Confident	49 Å²	49	37.2 Å²	37.2	23%	0.227	20%	0.203	C	C	.	.	H	α-helix	trans	-69.4	-42.2	178.9	-57	-83.2	0	0	0	111.1	Q98 A99 P103 L104 E105 A109 H110 F111	Q98-H107 PolarHBondContact O-CE1 2.89Å; A99-H107 WeakPolarHBondContact CA-NE2 3.33Å; P103-H107 PolarHBondContact O-CD2 2.91Å; L104-H107 WeakPolarHBondContact O-CB 3.27Å; L104-H107 PolarHBondContact O-N 3.37Å; E105-H107 VanDerWaalsContact C-N 3.32Å; E105-H107 PolarHBondContact O-N 2.77Å; H107-A109 VanDerWaalsContact C-N 3.31Å; H107-A109 PolarHBondContact O-N 2.92Å; H107-H110 CarbonylContact O-C 3.24Å; H107-H110 PolarHBondContact O-N 3.15Å; H107-H110 VanDerWaalsContact O-N 3.12Å; H107-F111 WeakPolarHBondContact O-CB 3.49Å; H107-F111 VanDerWaalsContact O-CD2 3.28Å; H107-F111 WeakPolarHBondContact O-CD2 3.13Å; H107-F111 PolarHBondContact O-N 3.22Å
108	W	82.3	Confident	80.2	Confident	17 Å²	17	39.8 Å²	39.8	6%	0.064	22%	0.217	C	C	.	.	H	α-helix	trans	-74.5	-21.2	-179.8	-73.1	15.4	0	0	0	113.1	F76 L104 E105 H110 F111 T112 H114 V119 Y120 L123	F76-W108 AromaticContact CD1-CZ3 3.9Å; F76-W108 HydrophobicContact CD1-CZ3 3.9Å; F76-W108 HydrophobicContact CD2-CE3 4.02Å; F76-W108 HydrophobicContact CD2-CZ3 4.17Å; F76-W108 HydrophobicContact CE1-CE3 4.02Å; F76-W108 HydrophobicContact CE1-CH2 4.49Å; F76-W108 AromaticContact CE1-CZ3 3.5Å; F76-W108 HydrophobicContact CE1-CZ3 3.5Å; F76-W108 VanDerWaalsContact CE1-CZ3 3.5Å; F76-W108 HydrophobicContact CE2-CD2 4.36Å; F76-W108 AromaticContact CE2-CE3 3.46Å; F76-W108 HydrophobicContact CE2-CE3 3.46Å; F76-W108 VanDerWaalsContact CE2-CE3 3.46Å; F76-W108 AromaticContact CE2-CZ3 3.8Å; F76-W108 HydrophobicContact CE2-CZ3 3.8Å; F76-W108 HydrophobicContact CG-CZ3 4.22Å; F76-W108 AromaticContact CZ-CE3 3.46Å; F76-W108 HydrophobicContact CZ-CE3 3.46Å; F76-W108 VanDerWaalsContact CZ-CE3 3.46Å; F76-W108 AromaticContact CZ-CZ3 3.45Å; F76-W108 HydrophobicContact CZ-CZ3 3.45Å; F76-W108 VanDerWaalsContact CZ-CZ3 3.45Å; L104-W108 HydrophobicContact CB-CD2 4.3Å; L104-W108 HydrophobicContact CB-CG 4.43Å; L104-W108 HydrophobicContact CD1-CH2 4.36Å; L104-W108 HydrophobicContact CD1-CZ2 3.84Å; L104-W108 PolarHBondContact O-N 2.79Å; E105-W108 PolarHBondContact O-N 2.94Å; W108-H110 VanDerWaalsContact C-N 3.32Å; W108-F111 CarbonylContact O-C 3.55Å; W108-T112 WeakPolarHBondContact O-CA 3.48Å; W108-T112 PolarHBondContact O-N 3.19Å; W108-H114 HydrophobicContact CB-CB 4.46Å; W108-H114 AromaticContact CD1-CG 3.58Å; W108-H114 AromaticContact CD1-ND1 3.54Å; W108-H114 HydrophobicContact CD2-CB 3.47Å; W108-H114 VanDerWaalsContact CD2-CB 3.47Å; W108-H114 AromaticContact CE2-CG 3.71Å; W108-H114 HydrophobicContact CE3-CB 4.09Å; W108-H114 HydrophobicContact CG-CB 3.65Å; W108-H114 HydrophobicContact CH2-CB 4.4Å; W108-H114 HydrophobicContact CZ2-CB 3.85Å; W108-H114 AromaticContact NE1-CD2 3.62Å; W108-H114 AromaticContact NE1-CG 3.34Å; W108-H114 VanDerWaalsContact NE1-CG 3.34Å; W108-H114 AromaticContact NE1-ND1 3.71Å; W108-V119 HydrophobicContact CH2-CG1 3.87Å; W108-V119 HydrophobicContact CZ2-CG1 3.97Å; W108-Y120 AromaticContact CE3-CE1 3.96Å; W108-Y120 HydrophobicContact CE3-CE1 3.96Å; W108-Y120 HydrophobicContact CH2-CD1 4.02Å; W108-Y120 HydrophobicContact CH2-CE1 4.07Å; W108-Y120 AromaticContact CZ3-CD1 3.65Å; W108-Y120 HydrophobicContact CZ3-CD1 3.65Å; W108-Y120 AromaticContact CZ3-CE1 3.3Å; W108-Y120 HydrophobicContact CZ3-CE1 3.3Å; W108-L123 HydrophobicContact CH2-CD2 3.49Å; W108-L123 VanDerWaalsContact CH2-CD2 3.49Å; W108-L123 HydrophobicContact CZ2-CD2 4.13Å; W108-L123 HydrophobicContact CZ3-CD2 4.18Å
109	A	72.5	Confident	80.5	Confident	26 Å²	26	38.8 Å²	38.8	22%	0.215	22%	0.215	C	C	.	.	H	α-helix	trans	-66.7	-34.5	166.7	0	0	0	0	0	112	E105 H107 V142	E105-A109 WeakPolarHBondContact O-CB 3.32Å; E105-A109 PolarHBondContact O-N 3.03Å; H107-A109 VanDerWaalsContact C-N 3.31Å; H107-A109 PolarHBondContact O-N 2.92Å; A109-V142 HydrophobicContact CB-CG1 3.91Å
110	H	66.7	Low	80.8	Confident	45 Å²	45	38.5 Å²	38.5	21%	0.208	21%	0.213	C	C	.	.	H	α-helix	trans	-82.6	-36.1	174.9	-167.3	83.9	0	0	0	112.9	P106 H107 W108 R162	P106-H110 PolarHBondContact O-N 2.9Å; H107-H110 CarbonylContact O-C 3.24Å; H107-H110 PolarHBondContact O-N 3.15Å; H107-H110 VanDerWaalsContact O-N 3.12Å; W108-H110 VanDerWaalsContact C-N 3.32Å; H110-R162 CarbonylContact O-C 3.57Å; H110-R162 WeakPolarHBondContact O-CB 3.24Å
111	F	71.7	Confident	80.7	Confident	26 Å²	26	42.8 Å²	42.8	11%	0.114	23%	0.229	C	C	.	.			trans	-113.7	69.8	-177.5	-61	-66.3	0	0	0	110.8	H107 W108 F113 H114 R162 P163	H107-F111 WeakPolarHBondContact O-CB 3.49Å; H107-F111 VanDerWaalsContact O-CD2 3.28Å; H107-F111 WeakPolarHBondContact O-CD2 3.13Å; H107-F111 PolarHBondContact O-N 3.22Å; W108-F111 CarbonylContact O-C 3.55Å; F111-F113 HydrophobicContact CB-CD1 4.39Å; F111-F113 HydrophobicContact CB-CE1 3.76Å; F111-F113 HydrophobicContact CB-CE2 4.26Å; F111-F113 HydrophobicContact CB-CZ 3.67Å; F111-F113 AromaticContact CD1-CE1 3.69Å; F111-F113 HydrophobicContact CD1-CE1 3.69Å; F111-F113 AromaticContact CD1-CZ 3.8Å; F111-F113 HydrophobicContact CD1-CZ 3.8Å; F111-F113 HydrophobicContact CG-CE1 4.15Å; F111-F113 HydrophobicContact CG-CZ 4.01Å; F111-F113 PolarHBondContact O-N 2.69Å; F111-H114 WeakPolarHBondContact CB-ND1 3.27Å; F111-H114 PolarHBondContact O-N 3.06Å; F111-H114 VanDerWaalsContact O-N 3.14Å; F111-H114 PolarHBondContact O-ND1 3.17Å; F111-R162 CarbonylContact C-O 3.56Å; F111-R162 WeakPolarHBondContact CA-O 3.41Å; F111-P163 HydrophobicContact CD1-CG 4.45Å
112	T	75.7	Confident	80.7	Confident	37 Å²	37	45.2 Å²	45.2	23%	0.227	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-61.6	-14.5	-172.9	53.9	0	0	0	0	114.9	W108 H114 N115 S160 R162	W108-T112 WeakPolarHBondContact O-CA 3.48Å; W108-T112 PolarHBondContact O-N 3.19Å; T112-H114 PolarHBondContact O-N 3.4Å; T112-N115 VanDerWaalsContact O-CB 3.26Å; T112-N115 WeakPolarHBondContact O-CB 3.33Å; T112-N115 PolarHBondContact O-N 2.79Å; T112-S160 PolarHBondContact OG1-OG 3.34Å; T112-R162 HydrophobicContact CG2-CB 3.9Å; T112-R162 PolarHBondContact N-O 2.81Å; T112-R162 PolarHBondContact OG1-N 3.36Å; T112-R162 PolarHBondContact OG1-O 3.4Å
113	F	73.5	Confident	80.9	Confident	78 Å²	78	45 Å²	45	34%	0.342	23%	0.233	S	C	.	.	G	3₁₀ helix	trans	-66.5	-14.2	173.9	55.3	-102.7	0	0	0	113.9	F111 N115 P163 L248	F111-F113 HydrophobicContact CB-CD1 4.39Å; F111-F113 HydrophobicContact CB-CE1 3.76Å; F111-F113 HydrophobicContact CB-CE2 4.26Å; F111-F113 HydrophobicContact CB-CZ 3.67Å; F111-F113 AromaticContact CD1-CE1 3.69Å; F111-F113 HydrophobicContact CD1-CE1 3.69Å; F111-F113 AromaticContact CD1-CZ 3.8Å; F111-F113 HydrophobicContact CD1-CZ 3.8Å; F111-F113 HydrophobicContact CG-CE1 4.15Å; F111-F113 HydrophobicContact CG-CZ 4.01Å; F111-F113 PolarHBondContact O-N 2.69Å; F113-N115 PolarHBondContact O-N 2.91Å; F113-P163 HydrophobicContact CE1-CG 4.21Å; F113-L248 HydrophobicContact CB-CD2 4.08Å
114	H	80.2	Confident	81.1	Confident	25 Å²	25	44.8 Å²	44.8	12%	0.116	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-73.1	-15.1	168.7	-60.3	100	0	0	0	112.6	H90 W108 F111 T112 S116 V119 Y120	H90-H114 AromaticContact NE2-NE2 3.63Å; W108-H114 HydrophobicContact CB-CB 4.46Å; W108-H114 AromaticContact CD1-CG 3.58Å; W108-H114 AromaticContact CD1-ND1 3.54Å; W108-H114 HydrophobicContact CD2-CB 3.47Å; W108-H114 VanDerWaalsContact CD2-CB 3.47Å; W108-H114 AromaticContact CE2-CG 3.71Å; W108-H114 HydrophobicContact CE3-CB 4.09Å; W108-H114 HydrophobicContact CG-CB 3.65Å; W108-H114 HydrophobicContact CH2-CB 4.4Å; W108-H114 HydrophobicContact CZ2-CB 3.85Å; W108-H114 AromaticContact NE1-CD2 3.62Å; W108-H114 AromaticContact NE1-CG 3.34Å; W108-H114 VanDerWaalsContact NE1-CG 3.34Å; W108-H114 AromaticContact NE1-ND1 3.71Å; F111-H114 WeakPolarHBondContact CB-ND1 3.27Å; F111-H114 PolarHBondContact O-N 3.06Å; F111-H114 VanDerWaalsContact O-N 3.14Å; F111-H114 PolarHBondContact O-ND1 3.17Å; T112-H114 PolarHBondContact O-N 3.4Å; H114-S116 PolarHBondContact O-N 3.49Å; H114-V119 HydrophobicContact CB-CG1 4.19Å; H114-V119 WeakPolarHBondContact O-CB 3.22Å; H114-V119 VanDerWaalsContact O-CG1 3.24Å; H114-V119 WeakPolarHBondContact O-CG1 3.37Å; H114-Y120 WeakPolarHBondContact O-CE1 3.32Å
115	N	78.5	Confident	81.3	Confident	24 Å²	24	51.4 Å²	51.4	13%	0.128	26%	0.259	C	S	.	.			trans	-84.6	67.8	-179.7	-63.2	-35	0	0	0	111.7	S43 T112 F113 Y120	S43-N115 VanDerWaalsContact CB-CB 3.48Å; S43-N115 VanDerWaalsContact CB-CG 3.48Å; T112-N115 VanDerWaalsContact O-CB 3.26Å; T112-N115 WeakPolarHBondContact O-CB 3.33Å; T112-N115 PolarHBondContact O-N 2.79Å; F113-N115 PolarHBondContact O-N 2.91Å; N115-Y120 VanDerWaalsContact CA-OH 3.24Å; N115-Y120 WeakPolarHBondContact CA-OH 3.42Å; N115-Y120 WeakPolarHBondContact CB-OH 3.46Å; N115-Y120 PolarHBondContact OD1-OH 3.17Å
116	S	80.2	Confident	81.7	Confident	38 Å²	38	52.2 Å²	52.2	27%	0.266	26%	0.264	S	S	.	.	S	Bend	trans	-140.2	150.7	176.3	65.3	0	0	0	0	110.3	H114 N118 V119 Y120	H114-S116 PolarHBondContact O-N 3.49Å; S116-N118 VanDerWaalsContact C-N 3.33Å; S116-N118 PolarHBondContact O-N 3.17Å; S116-V119 PolarHBondContact O-N 2.9Å; S116-V119 VanDerWaalsContact OG-CG2 3.28Å; S116-V119 WeakPolarHBondContact OG-CG2 3.45Å; S116-Y120 PolarHBondContact O-N 3.4Å; S116-Y120 VanDerWaalsContact O-N 3.09Å
117	E	78	Confident	82.5	Confident	129 Å²	129	51.3 Å²	51.3	60%	0.603	26%	0.255	S	S	*	.	H	α-helix	trans	-52.5	-49.4	-178.5	-170.6	167.7	-152.8	0	0	112	V119 Y120 E121	E117-V119 VanDerWaalsContact C-N 3.26Å; E117-V119 PolarHBondContact O-N 3.12Å; E117-Y120 WeakPolarHBondContact O-CB 3.43Å; E117-Y120 PolarHBondContact O-N 3.45Å; E117-E121 WeakPolarHBondContact O-CG 3.37Å; E117-E121 PolarHBondContact O-N 2.9Å
118	N	79.2	Confident	83.4	Confident	122 Å²	122	51.2 Å²	51.2	65%	0.652	26%	0.256	S	S	*	.	H	α-helix	trans	-57.7	-34.3	178	-61.3	-3.1	0	0	0	113.8	S116 F122	S116-N118 VanDerWaalsContact C-N 3.33Å; S116-N118 PolarHBondContact O-N 3.17Å; N118-F122 VanDerWaalsContact O-CB 3.31Å; N118-F122 WeakPolarHBondContact O-CB 3.14Å; N118-F122 PolarHBondContact O-N 3.42Å; N118-F122 VanDerWaalsContact O-N 3.15Å
119	V	85.7	Confident	84.1	Confident	41 Å²	41	50.4 Å²	50.4	25%	0.248	25%	0.253	C	S	.	.	H	α-helix	trans	-75.4	-36.3	178.1	172.4	0	0	0	0	110.4	W108 H114 S116 E117 L123	W108-V119 HydrophobicContact CH2-CG1 3.87Å; W108-V119 HydrophobicContact CZ2-CG1 3.97Å; H114-V119 HydrophobicContact CB-CG1 4.19Å; H114-V119 WeakPolarHBondContact O-CB 3.22Å; H114-V119 VanDerWaalsContact O-CG1 3.24Å; H114-V119 WeakPolarHBondContact O-CG1 3.37Å; S116-V119 PolarHBondContact O-N 2.9Å; S116-V119 VanDerWaalsContact OG-CG2 3.28Å; S116-V119 WeakPolarHBondContact OG-CG2 3.45Å; E117-V119 VanDerWaalsContact C-N 3.26Å; E117-V119 PolarHBondContact O-N 3.12Å; V119-L123 VanDerWaalsContact O-CB 3.29Å; V119-L123 WeakPolarHBondContact O-CB 3.27Å; V119-L123 PolarHBondContact O-N 2.99Å
120	Y	89.4	Confident	85.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-69.6	-42.1	177	-61.5	-23.7	0	0	0	112.4	V42 S43 W46 F76 W108 H114 N115 S116 E117 L123 E124	V42-Y120 HydrophobicContact CG1-CE2 4.15Å; S43-Y120 VanDerWaalsContact CA-OH 3.24Å; S43-Y120 WeakPolarHBondContact CA-OH 3.41Å; S43-Y120 WeakPolarHBondContact CB-OH 3.46Å; W46-Y120 HydrophobicContact CB-CD2 3.68Å; W46-Y120 HydrophobicContact CB-CE2 3.62Å; W46-Y120 AromaticContact CD1-CD2 3.75Å; W46-Y120 AromaticContact CD2-CD2 3.63Å; W46-Y120 HydrophobicContact CD2-CD2 3.63Å; W46-Y120 HydrophobicContact CD2-CE2 4.25Å; W46-Y120 AromaticContact CD2-CG 3.76Å; W46-Y120 HydrophobicContact CD2-CG 3.76Å; W46-Y120 HydrophobicContact CE3-CD1 4.33Å; W46-Y120 HydrophobicContact CE3-CD2 4.13Å; W46-Y120 HydrophobicContact CE3-CE2 4.49Å; W46-Y120 HydrophobicContact CE3-CG 4.01Å; W46-Y120 AromaticContact CG-CD2 3.39Å; W46-Y120 HydrophobicContact CG-CD2 3.39Å; W46-Y120 AromaticContact CG-CE2 3.87Å; W46-Y120 HydrophobicContact CG-CE2 3.87Å; W46-Y120 HydrophobicContact CG-CG 4.04Å; W46-Y120 HydrophobicContact CZ2-CG 4.46Å; W46-Y120 HydrophobicContact CZ3-CG 4.45Å; F76-Y120 HydrophobicContact CE1-CD1 4.42Å; F76-Y120 HydrophobicContact CE1-CE1 4.19Å; F76-Y120 HydrophobicContact CZ-CE1 4.28Å; W108-Y120 AromaticContact CE3-CE1 3.96Å; W108-Y120 HydrophobicContact CE3-CE1 3.96Å; W108-Y120 HydrophobicContact CH2-CD1 4.02Å; W108-Y120 HydrophobicContact CH2-CE1 4.07Å; W108-Y120 AromaticContact CZ3-CD1 3.65Å; W108-Y120 HydrophobicContact CZ3-CD1 3.65Å; W108-Y120 AromaticContact CZ3-CE1 3.3Å; W108-Y120 HydrophobicContact CZ3-CE1 3.3Å; H114-Y120 WeakPolarHBondContact O-CE1 3.32Å; N115-Y120 VanDerWaalsContact CA-OH 3.24Å; N115-Y120 WeakPolarHBondContact CA-OH 3.42Å; N115-Y120 WeakPolarHBondContact CB-OH 3.46Å; N115-Y120 PolarHBondContact OD1-OH 3.17Å; S116-Y120 PolarHBondContact O-N 3.4Å; S116-Y120 VanDerWaalsContact O-N 3.09Å; E117-Y120 WeakPolarHBondContact O-CB 3.43Å; E117-Y120 PolarHBondContact O-N 3.45Å; Y120-L123 PolarHBondContact O-N 3.49Å; Y120-E124 PolarHBondContact O-N 3.47Å
121	E	85.9	Confident	86.4	Confident	113 Å²	113	48.8 Å²	48.8	53%	0.528	24%	0.242	S	C	.	.	H	α-helix	trans	-58	-50.4	172.3	-71.5	-179.9	165.2	0	0	110.7	E117 L123 E124 E125	E117-E121 WeakPolarHBondContact O-CG 3.37Å; E117-E121 PolarHBondContact O-N 2.9Å; E121-L123 VanDerWaalsContact C-N 3.34Å; E121-L123 PolarHBondContact O-N 2.89Å; E121-E124 PolarHBondContact O-N 3.14Å; E121-E125 PolarHBondContact O-N 3.14Å
122	F	88.4	Confident	87.3	Confident	59 Å²	59	49.4 Å²	49.4	26%	0.259	25%	0.249	S	C	.	.	H	α-helix	trans	-61.3	-40.2	177.1	178.1	-95.5	0	0	0	112.7	F86 N118 E124 E125 L126	F86-F122 HydrophobicContact CD1-CE1 4.21Å; F86-F122 AromaticContact CD2-CE1 3.26Å; F86-F122 HydrophobicContact CD2-CE1 3.26Å; F86-F122 AromaticContact CD2-CZ 3.27Å; F86-F122 HydrophobicContact CD2-CZ 3.27Å; F86-F122 HydrophobicContact CE1-CE1 4.08Å; F86-F122 HydrophobicContact CE2-CD1 4.08Å; F86-F122 AromaticContact CE2-CE1 3.1Å; F86-F122 HydrophobicContact CE2-CE1 3.1Å; F86-F122 AromaticContact CE2-CZ 3.4Å; F86-F122 HydrophobicContact CE2-CZ 3.4Å; F86-F122 VanDerWaalsContact CE2-CZ 3.4Å; F86-F122 AromaticContact CG-CE1 3.82Å; F86-F122 HydrophobicContact CG-CE1 3.82Å; F86-F122 HydrophobicContact CG-CZ 4.09Å; F86-F122 HydrophobicContact CZ-CD1 4.23Å; F86-F122 AromaticContact CZ-CE1 3.54Å; F86-F122 HydrophobicContact CZ-CE1 3.54Å; F86-F122 HydrophobicContact CZ-CZ 4.3Å; N118-F122 VanDerWaalsContact O-CB 3.31Å; N118-F122 WeakPolarHBondContact O-CB 3.14Å; N118-F122 PolarHBondContact O-N 3.42Å; N118-F122 VanDerWaalsContact O-N 3.15Å; F122-E124 VanDerWaalsContact C-N 3.31Å; F122-E124 PolarHBondContact O-N 2.97Å; F122-E125 WeakPolarHBondContact O-CB 3.41Å; F122-E125 PolarHBondContact O-N 3.28Å; F122-L126 HydrophobicContact CE1-CD1 3.83Å; F122-L126 HydrophobicContact CE1-CG 4.42Å; F122-L126 HydrophobicContact CZ-CD1 4.27Å
123	L	91.7	Very high	87.9	Confident	10 Å²	10	51.9 Å²	51.9	5%	0.052	27%	0.273	C	S	.	.	H	α-helix	trans	-63.1	-39.4	178.6	-177.1	64.4	0	0	0	111.1	F76 Y81 L104 W108 V119 Y120 E121 E125 L126	F76-L123 HydrophobicContact CB-CD2 4.17Å; F76-L123 HydrophobicContact CD1-CD2 3.96Å; F76-L123 HydrophobicContact CG-CD2 4.32Å; Y81-L123 HydrophobicContact CD1-CD1 3.87Å; Y81-L123 HydrophobicContact CD1-CG 3.73Å; Y81-L123 WeakPolarHBondContact CD1-O 3.26Å; Y81-L123 HydrophobicContact CD2-CD1 3.97Å; Y81-L123 HydrophobicContact CD2-CD2 4.17Å; Y81-L123 HydrophobicContact CD2-CG 4.1Å; Y81-L123 HydrophobicContact CE1-CD1 4.25Å; Y81-L123 HydrophobicContact CE1-CD2 4.16Å; Y81-L123 HydrophobicContact CE1-CG 3.6Å; Y81-L123 VanDerWaalsContact CE1-O 3.28Å; Y81-L123 WeakPolarHBondContact CE1-O 3.44Å; Y81-L123 HydrophobicContact CE2-CD1 4.37Å; Y81-L123 HydrophobicContact CE2-CD2 3.77Å; Y81-L123 HydrophobicContact CE2-CG 4Å; Y81-L123 HydrophobicContact CG-CD1 3.67Å; Y81-L123 HydrophobicContact CG-CG 3.94Å; L104-L123 HydrophobicContact CD1-CD1 4.09Å; L104-L123 HydrophobicContact CD1-CD2 3.89Å; W108-L123 HydrophobicContact CH2-CD2 3.49Å; W108-L123 VanDerWaalsContact CH2-CD2 3.49Å; W108-L123 HydrophobicContact CZ2-CD2 4.13Å; W108-L123 HydrophobicContact CZ3-CD2 4.18Å; V119-L123 VanDerWaalsContact O-CB 3.29Å; V119-L123 WeakPolarHBondContact O-CB 3.27Å; V119-L123 PolarHBondContact O-N 2.99Å; Y120-L123 PolarHBondContact O-N 3.49Å; E121-L123 VanDerWaalsContact C-N 3.34Å; E121-L123 PolarHBondContact O-N 2.89Å; L123-E125 PolarHBondContact O-N 2.88Å; L123-L126 WeakPolarHBondContact O-CB 3.41Å; L123-L126 PolarHBondContact O-N 3.22Å
124	E	92.7	Very high	88.6	Confident	28 Å²	28	53 Å²	53	13%	0.131	29%	0.291	C	S	.	.	H	α-helix	trans	-66.9	-22.9	178.5	-173.9	59.5	-157.7	0	0	113.2	P49 R51 Y120 E121 F122 L126 R127	P49-E124 HydrophobicContact CG-CG 4.07Å; R51-E124 IonicContact NH1-OE1 2.79Å; R51-E124 PolarHBondContact NH1-OE1 3.19Å; Y120-E124 PolarHBondContact O-N 3.47Å; E121-E124 PolarHBondContact O-N 3.14Å; F122-E124 VanDerWaalsContact C-N 3.31Å; F122-E124 PolarHBondContact O-N 2.97Å; E124-L126 PolarHBondContact O-N 2.92Å; E124-R127 WeakPolarHBondContact O-CB 3.2Å; E124-R127 PolarHBondContact O-N 3.35Å; E124-R127 IonicContact OE1-NH1 4Å; E124-R127 IonicContact OE2-CZ 3.2Å; E124-R127 IonicContact OE2-NH1 2.99Å; E124-R127 PolarHBondContact OE2-NH1 3.09Å
125	E	92.7	Very high	89	Confident	150 Å²	150	54.3 Å²	54.3	70%	0.701	30%	0.299	S	S	*	.	H	α-helix	trans	-63.7	-23.8	169.5	-61.5	-179.2	173.5	0	0	112.5	E121 F122 L123 R127	E121-E125 PolarHBondContact O-N 3.14Å; F122-E125 WeakPolarHBondContact O-CB 3.41Å; F122-E125 PolarHBondContact O-N 3.28Å; L123-E125 PolarHBondContact O-N 2.88Å; E125-R127 VanDerWaalsContact C-N 3.34Å
126	L	94.3	Very high	89.3	Confident	37 Å²	37	56.8 Å²	56.8	19%	0.194	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	7.4	-179.4	-54	-178.5	0	0	0	113.1	Y81 D82 I83 F86 F122 L123 E124 I128	Y81-L126 CarbonylContact C-O 3.55Å; Y81-L126 WeakPolarHBondContact CA-O 3.28Å; Y81-L126 HydrophobicContact CD1-CB 4.46Å; D82-L126 PolarHBondContact N-O 3.13Å; I83-L126 HydrophobicContact CG2-CD1 3.95Å; F86-L126 HydrophobicContact CB-CD1 3.87Å; F86-L126 HydrophobicContact CD1-CD1 4.31Å; F86-L126 HydrophobicContact CG-CD1 4.07Å; F122-L126 HydrophobicContact CE1-CD1 3.83Å; F122-L126 HydrophobicContact CE1-CG 4.42Å; F122-L126 HydrophobicContact CZ-CD1 4.27Å; L123-L126 WeakPolarHBondContact O-CB 3.41Å; L123-L126 PolarHBondContact O-N 3.22Å; E124-L126 PolarHBondContact O-N 2.92Å; L126-I128 PolarHBondContact O-N 2.79Å
127	R	95.6	Very high	89.3	Confident	23 Å²	23	58.1 Å²	58.1	9%	0.087	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	126.1	-171.5	-173.2	70.8	176.3	-106.4	3.4	112.2	L54 A79 I80 Y81 E124 E125 G129 N130	L54-R127 HydrophobicContact CD1-CB 4.36Å; L54-R127 HydrophobicContact CD1-CG 3.44Å; L54-R127 VanDerWaalsContact CD1-CG 3.44Å; A79-R127 VanDerWaalsContact CA-CZ 3.49Å; A79-R127 VanDerWaalsContact CB-NH2 3.29Å; I80-R127 WeakPolarHBondContact O-CD 3.33Å; Y81-R127 HydrophobicContact CD1-CB 4.12Å; Y81-R127 HydrophobicContact CE1-CB 4.19Å; Y81-R127 HydrophobicContact CE1-CG 4.49Å; E124-R127 WeakPolarHBondContact O-CB 3.2Å; E124-R127 PolarHBondContact O-N 3.35Å; E124-R127 IonicContact OE1-NH1 4Å; E124-R127 IonicContact OE2-CZ 3.2Å; E124-R127 IonicContact OE2-NH1 2.99Å; E124-R127 PolarHBondContact OE2-NH1 3.09Å; E125-R127 VanDerWaalsContact C-N 3.34Å; R127-G129 PolarHBondContact NE-O 3.26Å; R127-N130 PolarHBondContact NH2-OD1 2.85Å
128	I	96.8	Very high	89.1	Confident	48 Å²	48	55.9 Å²	55.9	25%	0.246	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	-17.4	178.1	58.5	158.3	0	0	0	114.5	W73 I80 D82 L126	W73-I128 HydrophobicContact CD2-CD1 3.39Å; W73-I128 HydrophobicContact CE3-CD1 3.87Å; W73-I128 HydrophobicContact CG-CD1 3.8Å; W73-I128 HydrophobicContact CH2-CD1 4.06Å; W73-I128 HydrophobicContact CZ2-CD1 3.58Å; W73-I128 HydrophobicContact CZ3-CD1 4.19Å; I80-I128 HydrophobicContact CB-CG1 4.26Å; I80-I128 HydrophobicContact CG2-CD1 3.85Å; I80-I128 HydrophobicContact CG2-CG1 3.84Å; I80-I128 WeakPolarHBondContact O-CG1 3.49Å; I80-I128 PolarHBondContact O-N 3.44Å; D82-I128 HydrophobicContact CB-CD1 4.08Å; D82-I128 HydrophobicContact CB-CG1 4.38Å; D82-I128 HydrophobicContact CB-CG2 3.72Å; L126-I128 PolarHBondContact O-N 2.79Å
129	G	95.8	Very high	88.2	Confident	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	-179	-174	0	0	0	0	0	115	P55 I80 R127	P55-G129 CarbonylContact O-C 3.6Å; P55-G129 VanDerWaalsContact O-CA 3.29Å; P55-G129 WeakPolarHBondContact O-CA 3.49Å; I80-G129 PolarHBondContact N-O 2.89Å; I80-G129 PolarHBondContact O-N 3.45Å; R127-G129 PolarHBondContact NE-O 3.26Å
130	N	95.7	Very high	86.9	Confident	24 Å²	24	63.4 Å²	63.4	13%	0.128	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	145.7	176.6	-56.5	-69.5	0	0	0	110	R51 L54 P55 T56 I57 I80 R127	R51-N130 PolarHBondContact O-ND2 2.86Å; L54-N130 PolarHBondContact O-ND2 2.84Å; P55-N130 PolarHBondContact O-N 2.77Å; T56-N130 CarbonylContact C-O 3.54Å; T56-N130 VanDerWaalsContact CA-O 3.25Å; T56-N130 WeakPolarHBondContact CA-O 3.3Å; I57-N130 PolarHBondContact N-O 3.18Å; I80-N130 WeakPolarHBondContact CD1-O 3.39Å; R127-N130 PolarHBondContact NH2-OD1 2.85Å
131	L	92.1	Very high	85.1	Confident	13 Å²	13	69.8 Å²	69.8	7%	0.068	36%	0.359	C	S	.	.			trans	-83.5	146.8	166.1	-73.7	175	0	0	0	110.2	I57 A59 V62 T75 G78 I80 D135 I136	I57-L131 WeakPolarHBondContact O-CD2 3.42Å; A59-L131 HydrophobicContact CB-CD2 4.01Å; V62-L131 HydrophobicContact CG2-CD2 4.32Å; T75-L131 HydrophobicContact CG2-CD1 3.58Å; T75-L131 HydrophobicContact CG2-CD2 3.97Å; T75-L131 HydrophobicContact CG2-CG 3.9Å; G78-L131 PolarHBondContact O-N 2.84Å; I80-L131 HydrophobicContact CD1-CD2 4Å; I80-L131 HydrophobicContact CD1-CG 4.24Å; I80-L131 HydrophobicContact CG1-CD2 4.12Å; I80-L131 HydrophobicContact CG1-CG 3.94Å; L131-D135 HydrophobicContact CB-CB 4.44Å; L131-D135 HydrophobicContact CD2-CB 4.17Å; L131-I136 HydrophobicContact CB-CG1 4.46Å
132	P	91.9	Very high	83.7	Confident	38 Å²	38	65.4 Å²	65.4	25%	0.247	34%	0.34	C	S	.	.			trans	-64.2	150.5	163.2	29.8	-33.6	0	0	0	109.8	T56 I57 S134 D135	T56-P132 HydrophobicContact CG2-CB 4.12Å; T56-P132 HydrophobicContact CG2-CG 4.49Å; I57-P132 VanDerWaalsContact O-CD 3.22Å; I57-P132 WeakPolarHBondContact O-CD 3.32Å; P132-S134 PolarHBondContact O-N 2.9Å; P132-D135 HydrophobicContact CG-CB 3.85Å; P132-D135 VanDerWaalsContact CG-CG 3.49Å; P132-D135 WeakPolarHBondContact CG-OD2 3.27Å; P132-D135 PolarHBondContact O-N 3.46Å
133	A	87.8	Confident	82	Confident	89 Å²	89	68.9 Å²	68.9	74%	0.736	36%	0.361	S	S	*	.	G	3₁₀ helix	trans	-56.7	-28.9	-176.1	0	0	0	0	0	114	D135	A133-D135 PolarHBondContact O-N 2.87Å
134	S	89.2	Confident	80.2	Confident	103 Å²	103	74.5 Å²	74.5	72%	0.72	39%	0.391	S	S	*	.	G	3₁₀ helix	trans	-65.7	-24.7	176	55.3	0	0	0	0	114.1	P132	P132-S134 PolarHBondContact O-N 2.9Å
135	D	88.5	Confident	78.8	Confident	52 Å²	52	77.3 Å²	77.3	28%	0.278	41%	0.407	S	S	.	.	G	3₁₀ helix	trans	-102	-3.4	-171.1	-69	16	0	0	0	111.9	S58 A59 L131 P132 A133 F137	S58-D135 WeakPolarHBondContact CA-OD2 2.75Å; S58-D135 WeakPolarHBondContact CB-OD2 3.37Å; A59-D135 HydrophobicContact CB-CB 3.79Å; A59-D135 PolarHBondContact N-OD2 3.36Å; L131-D135 HydrophobicContact CB-CB 4.44Å; L131-D135 HydrophobicContact CD2-CB 4.17Å; P132-D135 HydrophobicContact CG-CB 3.85Å; P132-D135 VanDerWaalsContact CG-CG 3.49Å; P132-D135 WeakPolarHBondContact CG-OD2 3.27Å; P132-D135 PolarHBondContact O-N 3.46Å; A133-D135 PolarHBondContact O-N 2.87Å; D135-F137 PolarHBondContact O-N 3.38Å
136	I	84.7	Confident	77.5	Confident	76 Å²	76	71.9 Å²	71.9	39%	0.39	38%	0.384	S	S	.	.	S	Bend	trans	-66.3	126.4	177.5	-58.2	-178	0	0	0	108.9	L131 D138	L131-I136 HydrophobicContact CB-CG1 4.46Å; I136-D138 PolarHBondContact O-N 2.98Å
137	F	79.6	Confident	76.5	Confident	65 Å²	65	71.2 Å²	71.2	29%	0.285	39%	0.386	S	S	.	.			trans	-60	128.6	-179.2	-179.3	-99.7	0	0	0	112	P103 E105 P106 D135 Y139 V142	P103-F137 HydrophobicContact CB-CB 3.85Å; P103-F137 HydrophobicContact CB-CD1 4.43Å; P103-F137 HydrophobicContact CB-CD2 4.15Å; P103-F137 HydrophobicContact CB-CG 3.89Å; P103-F137 HydrophobicContact CG-CB 4.26Å; P103-F137 HydrophobicContact CG-CD2 3.64Å; P103-F137 HydrophobicContact CG-CE2 4.11Å; P103-F137 HydrophobicContact CG-CG 3.91Å; E105-F137 HydrophobicContact CB-CD1 3.93Å; E105-F137 HydrophobicContact CB-CE1 4.23Å; E105-F137 HydrophobicContact CG-CD1 4.4Å; P106-F137 HydrophobicContact CG-CE1 3.9Å; P106-F137 HydrophobicContact CG-CE2 4.28Å; P106-F137 HydrophobicContact CG-CZ 3.69Å; D135-F137 PolarHBondContact O-N 3.38Å; F137-Y139 PolarHBondContact O-N 2.99Å; F137-V142 HydrophobicContact CE1-CG2 3.69Å; F137-V142 HydrophobicContact CZ-CG2 4.02Å
138	D	73.1	Confident	76	Confident	83 Å²	83	73.3 Å²	73.3	44%	0.444	40%	0.396	S	S	.	.			trans	-80.8	106.9	173.6	-172.2	-5.5	0	0	0	110.4	I136 K140 N141	I136-D138 PolarHBondContact O-N 2.98Å; D138-K140 PolarHBondContact O-N 3.39Å; D138-K140 WeakPolarHBondContact OD1-CB 3.22Å; D138-K140 WeakPolarHBondContact OD1-CG 3.12Å; D138-K140 PolarHBondContact OD1-N 2.77Å; D138-N141 PolarHBondContact O-N 3.29Å
139	Y	61.6	Low	75.5	Confident	152 Å²	152	74.1 Å²	74.1	60%	0.596	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-50.8	-25	176.7	172.7	-88.8	0	0	0	114	F137 N141 V142	F137-Y139 PolarHBondContact O-N 2.99Å; Y139-N141 PolarHBondContact O-N 3.19Å; Y139-N141 VanDerWaalsContact O-N 3.1Å; Y139-V142 PolarHBondContact O-N 3.2Å
140	K	56.6	Low	75.1	Confident	169 Å²	169	75 Å²	75	74%	0.735	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-63	-18.2	-176.9	-68.9	177.5	-178.9	175.7	0	114.4	D138	D138-K140 PolarHBondContact O-N 3.39Å; D138-K140 WeakPolarHBondContact OD1-CB 3.22Å; D138-K140 WeakPolarHBondContact OD1-CG 3.12Å; D138-K140 PolarHBondContact OD1-N 2.77Å
141	N	51.5	Low	74.5	Confident	133 Å²	133	81.1 Å²	81.1	71%	0.711	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-99.2	11.8	-174.9	-68.4	-27.4	0	0	0	114.8	D138 Y139	D138-N141 PolarHBondContact O-N 3.29Å; Y139-N141 PolarHBondContact O-N 3.19Å; Y139-N141 VanDerWaalsContact O-N 3.1Å
142	V	56.8	Low	74.1	Confident	22 Å²	22	82.6 Å²	82.6	13%	0.133	45%	0.452	C	S	.	.	S	Bend	trans	-74.9	129.1	175.3	-175.1	0	0	0	0	109.7	P106 A109 F137 Y139 N144	P106-V142 HydrophobicContact CB-CG1 4.38Å; P106-V142 HydrophobicContact CB-CG2 4.45Å; P106-V142 HydrophobicContact CG-CG2 4.41Å; A109-V142 HydrophobicContact CB-CG1 3.91Å; F137-V142 HydrophobicContact CE1-CG2 3.69Å; F137-V142 HydrophobicContact CZ-CG2 4.02Å; Y139-V142 PolarHBondContact O-N 3.2Å; V142-N144 PolarHBondContact O-N 2.79Å
143	D	52.9	Low	73.7	Confident	131 Å²	131	82.5 Å²	82.5	70%	0.701	45%	0.453	S	S	*	.			trans	-53.3	124.4	173.3	-174.7	-1.4	0	0	0	110.1	D145	D143-D145 PolarHBondContact OD1-N 2.85Å
144	N	55.3	Low	73.3	Confident	129 Å²	129	86.3 Å²	86.3	69%	0.69	46%	0.455	S	S	*	.			trans	-89.4	2.1	-177.3	-76.4	-42.8	0	0	0	112.8	V142 T146	V142-N144 PolarHBondContact O-N 2.79Å; N144-T146 VanDerWaalsContact O-CG2 3.26Å; N144-T146 WeakPolarHBondContact O-CG2 3.46Å; N144-T146 PolarHBondContact O-N 3.23Å
145	D	63.2	Low	73	Confident	86 Å²	86	83.7 Å²	83.7	46%	0.46	44%	0.436	S	S	.	.			trans	-65.2	100.7	169.3	179.5	23	0	0	0	110	D143 G147 K191	D143-D145 PolarHBondContact OD1-N 2.85Å; D145-G147 PolarHBondContact OD1-N 2.98Å; D145-G147 VanDerWaalsContact OD1-N 3.13Å; D145-K191 IonicContact OD2-NZ 4Å; D145-K191 PolarHBondContact OD2-NZ 3.5Å
146	T	64.2	Low	72.8	Confident	36 Å²	36	81.3 Å²	81.3	22%	0.221	42%	0.424	C	S	.	.			trans	-104.3	7.3	-174.2	56	0	0	0	0	112.4	N144 R162	N144-T146 VanDerWaalsContact O-CG2 3.26Å; N144-T146 WeakPolarHBondContact O-CG2 3.46Å; N144-T146 PolarHBondContact O-N 3.23Å; T146-R162 VanDerWaalsContact CB-CZ 3.42Å; T146-R162 VanDerWaalsContact CB-NE 3.33Å; T146-R162 PolarHBondContact OG1-NH2 3.17Å; T146-R162 VanDerWaalsContact OG1-NH2 3.13Å
147	G	73	Confident	72.9	Confident	23 Å²	23	80.6 Å²	80.6	24%	0.237	42%	0.42	C	S	.	.			trans	67.4	-176.5	-172	0	0	0	0	0	113.7	D145	D145-G147 PolarHBondContact OD1-N 2.98Å; D145-G147 VanDerWaalsContact OD1-N 3.13Å
148	F	85.3	Confident	73.2	Confident	68 Å²	68	78.5 Å²	78.5	30%	0.298	41%	0.413	S	S	.	.	B	Isolated β-bridge	trans	-67.6	135.8	175.8	174.6	-95.2	0	0	0	111.4	P150 I192 V194 T325	F148-P150 HydrophobicContact CE1-CB 3.69Å; F148-P150 HydrophobicContact CE1-CG 4.11Å; F148-P150 HydrophobicContact CZ-CB 3.98Å; F148-I192 HydrophobicContact CB-CB 4.08Å; F148-I192 HydrophobicContact CB-CG2 4.07Å; F148-I192 HydrophobicContact CD1-CB 4.29Å; F148-I192 HydrophobicContact CD1-CD1 4.17Å; F148-I192 HydrophobicContact CD1-CG2 3.84Å; F148-I192 HydrophobicContact CG-CG2 4.39Å; F148-I192 PolarHBondContact N-O 3.05Å; F148-I192 WeakPolarHBondContact O-CD1 3.33Å; F148-V194 HydrophobicContact CB-CG2 3.75Å; F148-V194 HydrophobicContact CD2-CG2 4.32Å; F148-V194 HydrophobicContact CG-CG2 4.37Å; F148-T325 HydrophobicContact CD1-CG2 3.69Å; F148-T325 HydrophobicContact CE1-CG2 3.85Å; F148-T325 HydrophobicContact CG-CG2 4.05Å; F148-T325 HydrophobicContact CZ-CG2 4.36Å
149	L	86.8	Confident	73.8	Confident	64 Å²	64	76.9 Å²	76.9	34%	0.335	40%	0.402	S	S	.	.			trans	-125.4	116.2	169.8	-88.3	159.3	0	0	0	108.3	L164	L149-L164 HydrophobicContact CD2-CB 4.34Å
150	P	86.4	Confident	74.8	Confident	19 Å²	19	70 Å²	70	12%	0.123	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-71.3	161.4	176.2	29.8	-33.9	0	0	0	111.4	F148 L152 L164 E326	F148-P150 HydrophobicContact CE1-CB 3.69Å; F148-P150 HydrophobicContact CE1-CG 4.11Å; F148-P150 HydrophobicContact CZ-CB 3.98Å; P150-L152 HydrophobicContact CG-CD2 3.92Å; P150-L152 PolarHBondContact O-N 2.88Å; P150-L164 HydrophobicContact CG-CD2 3.76Å; P150-E326 HydrophobicContact CG-CB 4.1Å; P150-E326 HydrophobicContact CG-CG 4.11Å
151	V	83.4	Confident	75.9	Confident	152 Å²	152	64.3 Å²	64.3	92%	0.921	35%	0.353	S	S	*	.	P	Polyproline II helix	trans	-66	117.9	163.1	-179.8	0	0	0	0	108.1
152	L	84.7	Confident	77.2	Confident	44 Å²	44	62.1 Å²	62.1	23%	0.23	34%	0.335	C	S	.	.	P	Polyproline II helix	trans	-88.1	141.6	-177.2	-59.9	178.8	0	0	0	110.8	P150 L156 V158 L161 L164 K186	P150-L152 HydrophobicContact CG-CD2 3.92Å; P150-L152 PolarHBondContact O-N 2.88Å; L152-L156 HydrophobicContact CB-CD1 4.3Å; L152-L156 HydrophobicContact CD2-CD1 4.13Å; L152-V158 HydrophobicContact CD1-CG2 3.86Å; L152-L161 HydrophobicContact CD1-CD2 3.79Å; L152-L164 HydrophobicContact CD1-CD1 3.85Å; L152-L164 HydrophobicContact CD2-CD1 4.07Å; L152-L164 HydrophobicContact CD2-CD2 3.92Å; L152-K186 HydrophobicContact CD2-CD 4.18Å
153	S	82.1	Confident	78.6	Confident	37 Å²	37	61.3 Å²	61.3	26%	0.259	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-65.2	138.7	167.8	176.6	0	0	0	0	110.4	S155 L156	S153-S155 PolarHBondContact O-N 2.76Å; S153-S155 VanDerWaalsContact O-N 3.1Å; S153-S155 PolarHBondContact OG-N 3.37Å; S153-S155 PolarHBondContact OG-OG 3.16Å; S153-L156 WeakPolarHBondContact O-CB 3.37Å; S153-L156 PolarHBondContact O-N 2.87Å
154	E	80.2	Confident	80.3	Confident	169 Å²	169	55.3 Å²	55.3	79%	0.79	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-19.4	174.2	-66.9	179.1	-170.5	0	0	113.7	P32	P32-E154 WeakPolarHBondContact CD-O 3.36Å; P32-E154 WeakPolarHBondContact CG-O 3.49Å
155	S	82.3	Confident	82.1	Confident	47 Å²	47	49.1 Å²	49.1	33%	0.329	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-12.6	178.1	65.2	0	0	0	0	114	S153 V183	S153-S155 PolarHBondContact O-N 2.76Å; S153-S155 VanDerWaalsContact O-N 3.1Å; S153-S155 PolarHBondContact OG-N 3.37Å; S153-S155 PolarHBondContact OG-OG 3.16Å; S155-V183 VanDerWaalsContact OG-CG1 3.24Å; S155-V183 WeakPolarHBondContact OG-CG1 3.45Å
156	L	84.5	Confident	83.5	Confident	3 Å²	3	45 Å²	45	2%	0.016	24%	0.243	C	C	.	.	S	Bend	trans	-73.2	134.8	179.9	-77.3	170.1	0	0	0	111	P32 L152 S153 V158 A166 E167 V183 K186	P32-L156 WeakPolarHBondContact CG-O 3.29Å; L152-L156 HydrophobicContact CB-CD1 4.3Å; L152-L156 HydrophobicContact CD2-CD1 4.13Å; S153-L156 WeakPolarHBondContact O-CB 3.37Å; S153-L156 PolarHBondContact O-N 2.87Å; L156-V158 PolarHBondContact O-N 3.21Å; L156-A166 HydrophobicContact CB-CB 4.29Å; L156-A166 HydrophobicContact CD1-CB 4.49Å; L156-A166 HydrophobicContact CD2-CB 4.37Å; L156-E167 WeakPolarHBondContact CD2-O 3.4Å; L156-V183 HydrophobicContact CD2-CB 4.47Å; L156-V183 WeakPolarHBondContact CD2-O 3.26Å; L156-K186 HydrophobicContact CD1-CD 4.39Å
157	I	86.4	Confident	84.9	Confident	61 Å²	61	43.3 Å²	43.3	31%	0.313	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	97	171.2	-55.1	169.6	0	0	0	107.4	K159 A166 E167	I157-K159 HydrophobicContact CG2-CD 4.48Å; I157-K159 PolarHBondContact O-N 3.38Å; I157-A166 CarbonylContact O-C 3.52Å; I157-A166 VanDerWaalsContact O-CA 3.31Å; I157-A166 WeakPolarHBondContact O-CA 3.39Å; I157-E167 HydrophobicContact CB-CG 3.64Å; I157-E167 HydrophobicContact CD1-CG 4.23Å; I157-E167 HydrophobicContact CG1-CG 4.41Å; I157-E167 HydrophobicContact CG2-CG 4.16Å; I157-E167 PolarHBondContact N-O 3.06Å; I157-E167 PolarHBondContact O-N 3.23Å
158	V	86.4	Confident	85.9	Confident	20 Å²	20	42.2 Å²	42.2	12%	0.121	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	123.2	-179.4	-178.1	0	0	0	0	110.2	P32 V36 L152 L156 L161 A166	P32-V158 HydrophobicContact CB-CG2 4.27Å; V36-V158 HydrophobicContact CG2-CB 4.32Å; V36-V158 HydrophobicContact CG2-CG1 4.08Å; L152-V158 HydrophobicContact CD1-CG2 3.86Å; L156-V158 PolarHBondContact O-N 3.21Å; V158-L161 HydrophobicContact CG1-CD2 3.79Å; V158-L161 HydrophobicContact CG1-CG 4.13Å; V158-A166 HydrophobicContact CG2-CB 4.19Å
159	K	85.7	Confident	86.1	Confident	49 Å²	49	39.6 Å²	39.6	21%	0.213	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	-31.5	176.2	-55.9	-61.4	176.6	173.3	0	112.5	I157 N165 E167 L248 S249 W250	I157-K159 HydrophobicContact CG2-CD 4.48Å; I157-K159 PolarHBondContact O-N 3.38Å; K159-N165 WeakPolarHBondContact CA-O 3.1Å; K159-N165 HydrophobicContact CB-CB 4.45Å; K159-N165 PolarHBondContact N-O 3.16Å; K159-E167 WeakPolarHBondContact CE-OE1 3.16Å; K159-E167 IonicContact NZ-OE1 3.34Å; K159-E167 PolarHBondContact NZ-OE1 2.86Å; K159-L248 HydrophobicContact CB-CD2 4.15Å; K159-S249 VanDerWaalsContact CE-O 3.23Å; K159-S249 WeakPolarHBondContact CE-O 3.28Å; K159-S249 PolarHBondContact NZ-O 3.37Å; K159-W250 HydrophobicContact CB-CZ3 4.48Å; K159-W250 HydrophobicContact CG-CE3 3.78Å; K159-W250 HydrophobicContact CG-CH2 4.31Å; K159-W250 HydrophobicContact CG-CZ3 3.66Å
160	S	83.5	Confident	86.3	Confident	7 Å²	7	38 Å²	38	5%	0.049	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	142	177.6	165.2	0	0	0	0	108.4	T112 R162 P163 L164 N165	T112-S160 PolarHBondContact OG1-OG 3.34Å; S160-R162 PolarHBondContact OG-N 3.09Å; S160-R162 PolarHBondContact OG-O 3.21Å; S160-P163 CarbonylContact C-O 3.51Å; S160-P163 WeakPolarHBondContact CB-O 3.13Å; S160-P163 PolarHBondContact OG-O 3.23Å; S160-L164 CarbonylContact O-C 3.6Å; S160-L164 WeakPolarHBondContact O-CA 3.31Å; S160-N165 PolarHBondContact N-O 2.89Å; S160-N165 VanDerWaalsContact N-O 3.07Å; S160-N165 PolarHBondContact O-N 2.97Å
161	L	78.7	Confident	86.5	Confident	51 Å²	51	39.6 Å²	39.6	27%	0.267	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	-31.2	172.6	-76.3	-177.3	0	0	0	112.4	V36 L152 V158 P163 L164	V36-L161 HydrophobicContact CB-CD1 4.36Å; V36-L161 HydrophobicContact CG1-CD1 3.37Å; V36-L161 HydrophobicContact CG1-CG 4.24Å; V36-L161 HydrophobicContact CG2-CD1 4.01Å; V36-L161 HydrophobicContact CG2-CD2 4.47Å; V36-L161 HydrophobicContact CG2-CG 4.09Å; L152-L161 HydrophobicContact CD1-CD2 3.79Å; V158-L161 HydrophobicContact CG1-CD2 3.79Å; V158-L161 HydrophobicContact CG1-CG 4.13Å; L161-P163 VanDerWaalsContact C-C 3.46Å; L161-P163 CarbonylContact C-O 3.42Å; L161-P163 CarbonylContact O-C 3.59Å; L161-L164 HydrophobicContact CD2-CD1 4.12Å; L161-L164 VanDerWaalsContact O-CA 3.24Å; L161-L164 WeakPolarHBondContact O-CA 3.24Å; L161-L164 PolarHBondContact O-N 3.28Å
162	R	79.6	Confident	86.7	Confident	87 Å²	87	33.5 Å²	33.5	33%	0.328	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.5	108.2	-177.1	-64	178.7	-176.6	165.3	-4.9	109	H110 F111 T112 T146 S160	H110-R162 CarbonylContact O-C 3.57Å; H110-R162 WeakPolarHBondContact O-CB 3.24Å; F111-R162 CarbonylContact C-O 3.56Å; F111-R162 WeakPolarHBondContact CA-O 3.41Å; T112-R162 HydrophobicContact CG2-CB 3.9Å; T112-R162 PolarHBondContact N-O 2.81Å; T112-R162 PolarHBondContact OG1-N 3.36Å; T112-R162 PolarHBondContact OG1-O 3.4Å; T146-R162 VanDerWaalsContact CB-CZ 3.42Å; T146-R162 VanDerWaalsContact CB-NE 3.33Å; T146-R162 PolarHBondContact OG1-NH2 3.17Å; T146-R162 VanDerWaalsContact OG1-NH2 3.13Å; S160-R162 PolarHBondContact OG-N 3.09Å; S160-R162 PolarHBondContact OG-O 3.21Å
163	P	86	Confident	87.1	Confident	5 Å²	5	31.4 Å²	31.4	3%	0.032	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	cis	-63.3	152.3	-14.3	31	-37.5	0	0	0	111.3	F111 F113 S160 L161 N165 N188 H189 H190	F111-P163 HydrophobicContact CD1-CG 4.45Å; F113-P163 HydrophobicContact CE1-CG 4.21Å; S160-P163 CarbonylContact C-O 3.51Å; S160-P163 WeakPolarHBondContact CB-O 3.13Å; S160-P163 PolarHBondContact OG-O 3.23Å; L161-P163 VanDerWaalsContact C-C 3.46Å; L161-P163 CarbonylContact C-O 3.42Å; L161-P163 CarbonylContact O-C 3.59Å; P163-N165 PolarHBondContact O-N 3.44Å; P163-N165 PolarHBondContact O-ND2 3.32Å; P163-N188 HydrophobicContact CB-CB 4.1Å; P163-N188 VanDerWaalsContact CB-O 3.25Å; P163-N188 WeakPolarHBondContact CB-O 3.29Å; P163-N188 WeakPolarHBondContact CG-O 3.5Å; P163-H189 WeakPolarHBondContact CG-O 3.05Å; P163-H190 WeakPolarHBondContact CB-O 3.19Å
164	L	89.1	Confident	87.5	Confident	4 Å²	4	30.5 Å²	30.5	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	118.6	-178.2	173.9	65.8	0	0	0	111.1	L149 P150 L152 S160 L161 K186 N188 I192	L149-L164 HydrophobicContact CD2-CB 4.34Å; P150-L164 HydrophobicContact CG-CD2 3.76Å; L152-L164 HydrophobicContact CD1-CD1 3.85Å; L152-L164 HydrophobicContact CD2-CD1 4.07Å; L152-L164 HydrophobicContact CD2-CD2 3.92Å; S160-L164 CarbonylContact O-C 3.6Å; S160-L164 WeakPolarHBondContact O-CA 3.31Å; L161-L164 HydrophobicContact CD2-CD1 4.12Å; L161-L164 VanDerWaalsContact O-CA 3.24Å; L161-L164 WeakPolarHBondContact O-CA 3.24Å; L161-L164 PolarHBondContact O-N 3.28Å; L164-K186 HydrophobicContact CD2-CD 3.95Å; L164-K186 HydrophobicContact CG-CB 4.42Å; L164-N188 VanDerWaalsContact O-CB 3.29Å; L164-N188 WeakPolarHBondContact O-CB 2.99Å; L164-N188 VanDerWaalsContact O-CG 3.31Å; L164-N188 PolarHBondContact O-N 3.38Å; L164-N188 PolarHBondContact O-ND2 2.93Å; L164-N188 VanDerWaalsContact O-ND2 3.15Å; L164-I192 HydrophobicContact CB-CD1 4.49Å; L164-I192 HydrophobicContact CD2-CD1 4.14Å
165	N	93.1	Very high	87.9	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	118.8	175.4	-68.7	-89	0	0	0	108.6	K159 S160 P163 K186 R187 N188 L248 W250	K159-N165 WeakPolarHBondContact CA-O 3.1Å; K159-N165 HydrophobicContact CB-CB 4.45Å; K159-N165 PolarHBondContact N-O 3.16Å; S160-N165 PolarHBondContact N-O 2.89Å; S160-N165 VanDerWaalsContact N-O 3.07Å; S160-N165 PolarHBondContact O-N 2.97Å; P163-N165 PolarHBondContact O-N 3.44Å; P163-N165 PolarHBondContact O-ND2 3.32Å; N165-K186 CarbonylContact C-O 2.95Å; N165-K186 VanDerWaalsContact CA-O 3.22Å; N165-K186 WeakPolarHBondContact CA-O 3.39Å; N165-R187 VanDerWaalsContact OD1-CA 3.28Å; N165-R187 WeakPolarHBondContact OD1-CA 3.15Å; N165-R187 WeakPolarHBondContact OD1-CG 3.28Å; N165-R187 PolarHBondContact OD1-NH1 3.36Å; N165-N188 PolarHBondContact ND2-O 3.37Å; N165-N188 PolarHBondContact OD1-N 3.25Å; N165-N188 VanDerWaalsContact OD1-N 3.13Å; N165-N188 PolarHBondContact OD1-O 3.37Å; N165-L248 HydrophobicContact CB-CD1 3.57Å; N165-L248 VanDerWaalsContact CG-CD1 3.43Å; N165-L248 WeakPolarHBondContact OD1-CD1 3.31Å; N165-W250 HydrophobicContact CB-CH2 3.69Å; N165-W250 HydrophobicContact CB-CZ2 4.06Å
166	A	91.3	Very high	88.3	Confident	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	144.4	-178.3	0	0	0	0	0	110	L156 I157 V158 Y185 K186	L156-A166 HydrophobicContact CB-CB 4.29Å; L156-A166 HydrophobicContact CD1-CB 4.49Å; L156-A166 HydrophobicContact CD2-CB 4.37Å; I157-A166 CarbonylContact O-C 3.52Å; I157-A166 VanDerWaalsContact O-CA 3.31Å; I157-A166 WeakPolarHBondContact O-CA 3.39Å; V158-A166 HydrophobicContact CG2-CB 4.19Å; A166-Y185 CarbonylContact O-C 3.58Å; A166-Y185 WeakPolarHBondContact O-CA 3.5Å; A166-K186 PolarHBondContact N-O 2.9Å; A166-K186 PolarHBondContact O-N 3.44Å
167	E	94.8	Very high	88.9	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	152.6	177.7	62.5	-176.9	171.8	0	0	112	L156 I157 K159 W250 T251 G253	L156-E167 WeakPolarHBondContact CD2-O 3.4Å; I157-E167 HydrophobicContact CB-CG 3.64Å; I157-E167 HydrophobicContact CD1-CG 4.23Å; I157-E167 HydrophobicContact CG1-CG 4.41Å; I157-E167 HydrophobicContact CG2-CG 4.16Å; I157-E167 PolarHBondContact N-O 3.06Å; I157-E167 PolarHBondContact O-N 3.23Å; K159-E167 WeakPolarHBondContact CE-OE1 3.16Å; K159-E167 IonicContact NZ-OE1 3.34Å; K159-E167 PolarHBondContact NZ-OE1 2.86Å; E167-W250 HydrophobicContact CB-CE3 3.79Å; E167-W250 HydrophobicContact CB-CZ3 3.84Å; E167-W250 HydrophobicContact CG-CE3 4.3Å; E167-T251 WeakPolarHBondContact OE1-CB 3.24Å; E167-T251 WeakPolarHBondContact OE1-CG2 3.33Å; E167-T251 PolarHBondContact OE1-N 2.64Å; E167-T251 PolarHBondContact OE1-OG1 3.35Å; E167-T251 PolarHBondContact OE2-N 3.46Å; E167-T251 PolarHBondContact OE2-OG1 3.37Å; E167-G253 WeakPolarHBondContact CB-O 3.46Å; E167-G253 PolarHBondContact OE2-N 2.83Å
168	T	94.5	Very high	89.4	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.			trans	-68.4	134.3	170.7	-49.1	0	0	0	0	108.5	L173 T179 V183 Y185 G253	T168-L173 HydrophobicContact CG2-CD2 3.54Å; T168-L173 HydrophobicContact CG2-CG 3.92Å; T168-T179 HydrophobicContact CG2-CG2 4.1Å; T168-V183 WeakPolarHBondContact CB-O 3.06Å; T168-V183 HydrophobicContact CG2-CB 4.35Å; T168-V183 HydrophobicContact CG2-CG2 4.22Å; T168-V183 PolarHBondContact OG1-O 3.41Å; T168-Y185 PolarHBondContact OG1-N 3.1Å; T168-G253 PolarHBondContact N-O 3.22Å; T168-G253 VanDerWaalsContact O-CA 3.23Å; T168-G253 WeakPolarHBondContact O-CA 3.45Å
169	A	89.1	Confident	89.9	Confident	12 Å²	12	30 Å²	30	10%	0.099	15%	0.151	C	C	.	.			trans	-56	132.7	172.8	0	0	0	0	0	109.9	L171 S172 L173	A169-L171 PolarHBondContact O-N 3.32Å; A169-L171 VanDerWaalsContact O-N 3.15Å; A169-S172 WeakPolarHBondContact O-CB 3.25Å; A169-S172 PolarHBondContact O-N 2.86Å; A169-L173 PolarHBondContact O-N 3.04Å
170	P	91.4	Very high	90.3	Very high	32 Å²	32	30.4 Å²	30.4	21%	0.208	16%	0.159	C	C	.	.	H	α-helix	trans	-51.7	-41.4	-177.2	-31.4	36.3	0	0	0	113.6	S172 L173 A252 C396	P170-S172 VanDerWaalsContact C-N 3.32Å; P170-S172 PolarHBondContact O-N 3.43Å; P170-L173 WeakPolarHBondContact O-CB 3.3Å; P170-L173 PolarHBondContact O-N 3.41Å; P170-A252 HydrophobicContact CG-CB 4.47Å; P170-C396 HydrophobicContact CB-CB 4.46Å; P170-C396 WeakPolarHBondContact O-CB 3.23Å; P170-C396 PolarHBondContact O-SG 3.45Å
171	L	88.9	Confident	90.9	Very high	51 Å²	51	30.9 Å²	30.9	27%	0.267	16%	0.161	S	C	.	.	H	α-helix	trans	-55.5	-45.1	177.7	-175.6	60.6	0	0	0	112.3	A169 L173 A174 E175 Y397	A169-L171 PolarHBondContact O-N 3.32Å; A169-L171 VanDerWaalsContact O-N 3.15Å; L171-L173 PolarHBondContact O-N 3.22Å; L171-A174 PolarHBondContact O-N 3.06Å; L171-E175 WeakPolarHBondContact O-CG 3.4Å; L171-E175 PolarHBondContact O-N 2.98Å; L171-Y397 HydrophobicContact CD1-CD2 4.01Å
172	S	88.6	Confident	91.5	Very high	25 Å²	25	31.9 Å²	31.9	18%	0.175	17%	0.172	C	C	.	.	H	α-helix	trans	-64.5	-24.6	178.9	-55	0	0	0	0	113.4	A169 P170 A174 E175 S176	A169-S172 WeakPolarHBondContact O-CB 3.25Å; A169-S172 PolarHBondContact O-N 2.86Å; P170-S172 VanDerWaalsContact C-N 3.32Å; P170-S172 PolarHBondContact O-N 3.43Å; S172-A174 VanDerWaalsContact C-N 3.31Å; S172-E175 PolarHBondContact O-N 2.94Å; S172-S176 PolarHBondContact O-N 2.73Å
173	L	93.6	Very high	92.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-71.7	-24.8	173.7	-60.2	176.2	0	0	0	112.6	T168 A169 P170 L171 T179 A252 I255 Y416 W457 Q459	T168-L173 HydrophobicContact CG2-CD2 3.54Å; T168-L173 HydrophobicContact CG2-CG 3.92Å; A169-L173 PolarHBondContact O-N 3.04Å; P170-L173 WeakPolarHBondContact O-CB 3.3Å; P170-L173 PolarHBondContact O-N 3.41Å; L171-L173 PolarHBondContact O-N 3.22Å; L173-T179 HydrophobicContact CD2-CG2 4.42Å; L173-A252 WeakPolarHBondContact CD1-O 3.42Å; L173-I255 HydrophobicContact CD1-CG2 3.79Å; L173-I255 WeakPolarHBondContact CD2-O 3.48Å; L173-Y416 HydrophobicContact CB-CD1 4.21Å; L173-Y416 HydrophobicContact CD1-CD1 4.04Å; L173-Y416 HydrophobicContact CD1-CE1 3.66Å; L173-W457 HydrophobicContact CB-CH2 3.9Å; L173-W457 HydrophobicContact CB-CZ3 4.14Å; L173-W457 HydrophobicContact CD2-CH2 3.52Å; L173-W457 HydrophobicContact CD2-CZ3 3.79Å; L173-W457 HydrophobicContact CG-CH2 4.27Å; L173-W457 HydrophobicContact CG-CZ3 4.39Å; L173-Q459 PolarHBondContact O-NE2 2.86Å
174	A	89.7	Confident	92.7	Very high	17 Å²	17	28.2 Å²	28.2	14%	0.14	16%	0.159	C	C	.	.	H	α-helix	trans	-86.7	-25.2	173.2	0	0	0	0	0	113.1	L171 S172 C396 E414 Q459	L171-A174 PolarHBondContact O-N 3.06Å; S172-A174 VanDerWaalsContact C-N 3.31Å; A174-C396 HydrophobicContact CB-CB 3.58Å; A174-E414 HydrophobicContact CB-CB 4.22Å; A174-Q459 VanDerWaalsContact C-NE2 3.3Å; A174-Q459 PolarHBondContact O-NE2 2.95Å
175	E	88	Confident	93.1	Very high	137 Å²	137	28.7 Å²	28.7	64%	0.64	16%	0.161	S	C	*	.	H	α-helix	trans	-76.1	-36.4	-177.3	-71.5	173.6	158.8	0	0	113.5	L171 S172	L171-E175 WeakPolarHBondContact O-CG 3.4Å; L171-E175 PolarHBondContact O-N 2.98Å; S172-E175 PolarHBondContact O-N 2.94Å
176	S	91.4	Very high	93.3	Very high	41 Å²	41	28.8 Å²	28.8	29%	0.287	16%	0.161	S	C	.	.			trans	-129.1	124.7	-175.9	-170.3	0	0	0	0	112.7	S172 Y178 Q459	S172-S176 PolarHBondContact O-N 2.73Å; S176-Y178 VanDerWaalsContact C-N 3.31Å; S176-Y178 WeakPolarHBondContact CB-O 3.14Å; S176-Y178 PolarHBondContact O-N 3.18Å; S176-Y178 PolarHBondContact OG-O 3Å; S176-Q459 VanDerWaalsContact C-NE2 3.33Å; S176-Q459 PolarHBondContact O-NE2 3.1Å
177	F	96.1	Very high	93.6	Very high	16 Å²	16	31.4 Å²	31.4	7%	0.07	17%	0.171	C	C	.	.	S	Bend	trans	-63.2	-37.9	174.9	178.1	-105.5	0	0	0	112.6	V229 N257 N445 I447 A456 W457	F177-V229 HydrophobicContact CE1-CG1 4.07Å; F177-V229 HydrophobicContact CZ-CG1 4.34Å; F177-N257 WeakPolarHBondContact O-CB 3.42Å; F177-N257 PolarHBondContact O-ND2 2.91Å; F177-N445 HydrophobicContact CB-CB 4.2Å; F177-N445 HydrophobicContact CD2-CB 3.28Å; F177-N445 HydrophobicContact CE2-CB 3.69Å; F177-N445 WeakPolarHBondContact CE2-O 3.32Å; F177-N445 HydrophobicContact CG-CB 3.79Å; F177-I447 HydrophobicContact CE1-CD1 4.21Å; F177-I447 HydrophobicContact CE1-CG2 3.76Å; F177-I447 HydrophobicContact CZ-CD1 3.97Å; F177-I447 HydrophobicContact CZ-CG1 4.03Å; F177-I447 HydrophobicContact CZ-CG2 3.71Å; F177-A456 HydrophobicContact CE2-CB 4.5Å; F177-A456 HydrophobicContact CZ-CB 3.89Å; F177-W457 AromaticContact CD2-CD1 3.81Å; F177-W457 AromaticContact CD2-NE1 3.53Å; F177-W457 AromaticContact CE2-CD1 3.59Å; F177-W457 AromaticContact CE2-NE1 3.78Å; F177-W457 WeakPolarHBondContact CE2-O 3.46Å; F177-W457 PolarHBondContact O-NE1 2.96Å
178	Y	97	Very high	93.5	Very high	96 Å²	96	31.5 Å²	31.5	38%	0.376	17%	0.171	S	C	.	.	S	Bend	trans	-98.7	107.2	169.7	-58	-72.4	0	0	0	107.8	S176 P180 V229 N257 T259	S176-Y178 VanDerWaalsContact C-N 3.31Å; S176-Y178 WeakPolarHBondContact CB-O 3.14Å; S176-Y178 PolarHBondContact O-N 3.18Å; S176-Y178 PolarHBondContact OG-O 3Å; Y178-P180 VanDerWaalsContact O-CD 3.23Å; Y178-P180 WeakPolarHBondContact O-CD 3.08Å; Y178-V229 HydrophobicContact CD1-CG1 4.37Å; Y178-V229 HydrophobicContact CE1-CG1 3.78Å; Y178-V229 HydrophobicContact CE1-CG2 4.01Å; Y178-N257 CarbonylContact C-O 3.56Å; Y178-N257 WeakPolarHBondContact CA-O 3.45Å; Y178-T259 HydrophobicContact CD1-CG2 3.92Å; Y178-T259 HydrophobicContact CE1-CG2 3.53Å
179	T	97.2	Very high	93.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.177	C	C	.	.			trans	-61.4	118	178.3	-48.7	0	0	0	0	108.8	T168 L173 V183 F184 N257 N319 W457	T168-T179 HydrophobicContact CG2-CG2 4.1Å; L173-T179 HydrophobicContact CD2-CG2 4.42Å; T179-V183 HydrophobicContact CG2-CG2 4.09Å; T179-F184 HydrophobicContact CG2-CB 4.21Å; T179-F184 HydrophobicContact CG2-CD2 4.12Å; T179-F184 HydrophobicContact CG2-CG 4.43Å; T179-N257 PolarHBondContact N-O 3.02Å; T179-N257 PolarHBondContact OG1-N 3.11Å; T179-N257 VanDerWaalsContact OG1-N 3.09Å; T179-N319 PolarHBondContact O-ND2 2.78Å; T179-W457 WeakPolarHBondContact OG1-CH2 3.46Å
180	P	95.3	Very high	93.3	Very high	57 Å²	57	32.4 Å²	32.4	37%	0.37	17%	0.173	S	C	.	.			trans	-58.4	143.4	-178.5	-23.8	32.5	0	0	0	111.9	Y178 S182 V183 F184	Y178-P180 VanDerWaalsContact O-CD 3.23Å; Y178-P180 WeakPolarHBondContact O-CD 3.08Å; P180-S182 PolarHBondContact O-N 3.3Å; P180-S182 VanDerWaalsContact O-N 3.13Å; P180-V183 HydrophobicContact CB-CG2 4.06Å; P180-V183 HydrophobicContact CG-CG2 4.14Å; P180-V183 WeakPolarHBondContact O-CG2 3.4Å; P180-V183 PolarHBondContact O-N 3.38Å; P180-F184 PolarHBondContact O-N 3.32Å
181	N	95.7	Very high	93.1	Very high	17 Å²	17	34 Å²	34	9%	0.091	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-37.6	-176.1	-70.7	-2.8	0	0	0	112.8	V183 M318 N319 Q321 P324	N181-V183 VanDerWaalsContact C-N 3.27Å; N181-V183 PolarHBondContact O-N 3Å; N181-M318 PolarHBondContact ND2-O 2.91Å; N181-M318 WeakPolarHBondContact OD1-CG 3.46Å; N181-N319 PolarHBondContact OD1-ND2 3.41Å; N181-Q321 PolarHBondContact ND2-OE1 3.28Å; N181-P324 HydrophobicContact CB-CG 3.94Å
182	S	90.6	Very high	93.2	Very high	73 Å²	73	31.9 Å²	31.9	51%	0.51	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-30.9	179.2	53.4	0	0	0	0	113.6	P180 K186	P180-S182 PolarHBondContact O-N 3.3Å; P180-S182 VanDerWaalsContact O-N 3.13Å; S182-K186 PolarHBondContact O-NZ 3.45Å; S182-K186 VanDerWaalsContact O-NZ 3.08Å
183	V	93.8	Very high	93.4	Very high	12 Å²	12	31.8 Å²	31.8	7%	0.073	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-5.2	-176.1	-57.2	0	0	0	0	113.7	S155 L156 T168 T179 P180 N181 Y185	S155-V183 VanDerWaalsContact OG-CG1 3.24Å; S155-V183 WeakPolarHBondContact OG-CG1 3.45Å; L156-V183 HydrophobicContact CD2-CB 4.47Å; L156-V183 WeakPolarHBondContact CD2-O 3.26Å; T168-V183 WeakPolarHBondContact CB-O 3.06Å; T168-V183 HydrophobicContact CG2-CB 4.35Å; T168-V183 HydrophobicContact CG2-CG2 4.22Å; T168-V183 PolarHBondContact OG1-O 3.41Å; T179-V183 HydrophobicContact CG2-CG2 4.09Å; P180-V183 HydrophobicContact CB-CG2 4.06Å; P180-V183 HydrophobicContact CG-CG2 4.14Å; P180-V183 WeakPolarHBondContact O-CG2 3.4Å; P180-V183 PolarHBondContact O-N 3.38Å; N181-V183 VanDerWaalsContact C-N 3.27Å; N181-V183 PolarHBondContact O-N 3Å; V183-Y185 PolarHBondContact O-N 2.99Å
184	F	97.5	Very high	93.4	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	20%	0.199	C	C	.	.	S	Bend	trans	-55.9	132.1	173.9	-161.3	-73.6	0	0	0	109.7	T179 P180 K186 L232 G256 A258 W260 M318 H327	T179-F184 HydrophobicContact CG2-CB 4.21Å; T179-F184 HydrophobicContact CG2-CD2 4.12Å; T179-F184 HydrophobicContact CG2-CG 4.43Å; P180-F184 PolarHBondContact O-N 3.32Å; F184-K186 PolarHBondContact O-NZ 2.91Å; F184-L232 HydrophobicContact CE1-CB 4.48Å; F184-L232 HydrophobicContact CZ-CB 4.15Å; F184-L232 HydrophobicContact CZ-CD1 4.38Å; F184-L232 HydrophobicContact CZ-CG 4.44Å; F184-G256 WeakPolarHBondContact CZ-O 3.43Å; F184-A258 HydrophobicContact CD2-CB 4.35Å; F184-A258 HydrophobicContact CE2-CB 3.91Å; F184-W260 HydrophobicContact CE2-CZ2 4.16Å; F184-W260 HydrophobicContact CZ-CH2 4.38Å; F184-W260 AromaticContact CZ-CZ2 3.88Å; F184-W260 HydrophobicContact CZ-CZ2 3.88Å; F184-M318 HydrophobicContact CB-CE 3.76Å; F184-M318 HydrophobicContact CD1-CE 3.98Å; F184-M318 HydrophobicContact CD2-CE 3.16Å; F184-M318 HydrophobicContact CE1-CE 4.39Å; F184-M318 HydrophobicContact CE2-CE 3.65Å; F184-M318 HydrophobicContact CG-CE 3.36Å; F184-M318 HydrophobicContact CZ-CE 4.25Å; F184-H327 AromaticContact CD1-CE1 3.68Å; F184-H327 PolarHBondContact O-CE1 3.04Å
185	Y	98.3	Very high	93.6	Very high	14 Å²	14	37.8 Å²	37.8	6%	0.055	20%	0.199	C	C	.	.			trans	-56.7	142.6	-173.6	84.2	-80.8	0	0	0	112.1	A166 T168 V183 R187 L232 C234 G253 A254 I255 H327 A340	A166-Y185 CarbonylContact O-C 3.58Å; A166-Y185 WeakPolarHBondContact O-CA 3.5Å; T168-Y185 PolarHBondContact OG1-N 3.1Å; V183-Y185 PolarHBondContact O-N 2.99Å; Y185-R187 HydrophobicContact CE2-CB 4.25Å; Y185-L232 HydrophobicContact CE1-CB 4.17Å; Y185-L232 VanDerWaalsContact CE1-O 3.27Å; Y185-L232 WeakPolarHBondContact CE1-O 3.31Å; Y185-C234 HydrophobicContact CE2-CB 4.14Å; Y185-G253 WeakPolarHBondContact CB-O 3.4Å; Y185-A254 HydrophobicContact CD2-CB 4.46Å; Y185-I255 VanDerWaalsContact CD1-C 3.49Å; Y185-H327 PolarHBondContact O-CE1 3.29Å; Y185-A340 WeakPolarHBondContact OH-CB 3.47Å
186	K	96.8	Very high	93.9	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.009	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.2	-175.8	-65.5	162.3	-176.8	64.4	0	107.8	L152 L156 L164 N165 A166 S182 F184 E326	L152-K186 HydrophobicContact CD2-CD 4.18Å; L156-K186 HydrophobicContact CD1-CD 4.39Å; L164-K186 HydrophobicContact CD2-CD 3.95Å; L164-K186 HydrophobicContact CG-CB 4.42Å; N165-K186 CarbonylContact C-O 2.95Å; N165-K186 VanDerWaalsContact CA-O 3.22Å; N165-K186 WeakPolarHBondContact CA-O 3.39Å; A166-K186 PolarHBondContact N-O 2.9Å; A166-K186 PolarHBondContact O-N 3.44Å; S182-K186 PolarHBondContact O-NZ 3.45Å; S182-K186 VanDerWaalsContact O-NZ 3.08Å; F184-K186 PolarHBondContact O-NZ 2.91Å; K186-E326 HydrophobicContact CD-CG 3.92Å; K186-E326 WeakPolarHBondContact CE-OE1 3.28Å; K186-E326 HydrophobicContact CG-CG 4.11Å
187	R	96.9	Very high	94.2	Very high	56 Å²	56	35.9 Å²	35.9	21%	0.211	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	113	171.6	-164.7	-66.6	178.7	-103.1	6.4	109.1	N165 Y185 H189 W250 K345 Y366	N165-R187 VanDerWaalsContact OD1-CA 3.28Å; N165-R187 WeakPolarHBondContact OD1-CA 3.15Å; N165-R187 WeakPolarHBondContact OD1-CG 3.28Å; N165-R187 PolarHBondContact OD1-NH1 3.36Å; Y185-R187 HydrophobicContact CE2-CB 4.25Å; R187-H189 VanDerWaalsContact CZ-CE1 3.43Å; R187-H189 PolarHBondContact NE-CE1 3.01Å; R187-H189 PolarHBondContact NE-NE2 2.85Å; R187-H189 PolarHBondContact NH2-CD2 3.33Å; R187-H189 PolarHBondContact NH2-NE2 3.31Å; R187-W250 HydrophobicContact CG-CZ2 4.09Å; R187-K345 PolarHBondContact O-NZ 2.75Å; R187-Y366 PolarHBondContact NE-OH 3.47Å
188	N	93.7	Very high	94.1	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.223	C	C	.	.			trans	-124.7	136	177.3	-55.9	-26.5	0	0	0	110.4	P163 L164 N165 I192 K345 W346	P163-N188 HydrophobicContact CB-CB 4.1Å; P163-N188 VanDerWaalsContact CB-O 3.25Å; P163-N188 WeakPolarHBondContact CB-O 3.29Å; P163-N188 WeakPolarHBondContact CG-O 3.5Å; L164-N188 VanDerWaalsContact O-CB 3.29Å; L164-N188 WeakPolarHBondContact O-CB 2.99Å; L164-N188 VanDerWaalsContact O-CG 3.31Å; L164-N188 PolarHBondContact O-N 3.38Å; L164-N188 PolarHBondContact O-ND2 2.93Å; L164-N188 VanDerWaalsContact O-ND2 3.15Å; N165-N188 PolarHBondContact ND2-O 3.37Å; N165-N188 PolarHBondContact OD1-N 3.25Å; N165-N188 VanDerWaalsContact OD1-N 3.13Å; N165-N188 PolarHBondContact OD1-O 3.37Å; N188-I192 VanDerWaalsContact ND2-CD1 3.33Å; N188-I192 WeakPolarHBondContact ND2-CD1 3.48Å; N188-I192 VanDerWaalsContact ND2-CG1 3.32Å; N188-I192 WeakPolarHBondContact ND2-CG1 3.32Å; N188-K345 PolarHBondContact OD1-NZ 3.46Å; N188-W346 WeakPolarHBondContact OD1-CH2 3.38Å
189	H	90.1	Very high	94.1	Very high	24 Å²	24	41.1 Å²	41.1	11%	0.111	23%	0.231	C	C	.	.	S	Bend	trans	-91.4	-32.3	172.6	-67.5	92	0	0	0	111.9	P163 R187 Y296 W361 Y366	P163-H189 WeakPolarHBondContact CG-O 3.05Å; R187-H189 VanDerWaalsContact CZ-CE1 3.43Å; R187-H189 PolarHBondContact NE-CE1 3.01Å; R187-H189 PolarHBondContact NE-NE2 2.85Å; R187-H189 PolarHBondContact NH2-CD2 3.33Å; R187-H189 PolarHBondContact NH2-NE2 3.31Å; H189-Y296 HydrophobicContact CB-CD2 4.24Å; H189-Y296 AromaticContact CE1-CE2 3.3Å; H189-Y296 WeakPolarHBondContact CE1-CE2 3.35Å; H189-Y296 AromaticContact CE1-CZ 3.96Å; H189-Y296 AromaticContact CG-CD2 3.97Å; H189-Y296 AromaticContact CG-CE2 3.94Å; H189-Y296 AromaticContact ND1-CD2 3.52Å; H189-Y296 AromaticContact ND1-CE2 3.25Å; H189-Y296 VanDerWaalsContact ND1-CE2 3.25Å; H189-Y296 WeakPolarHBondContact ND1-CE2 3.42Å; H189-W361 HydrophobicContact CB-CZ2 4.35Å; H189-W361 AromaticContact CD2-CD1 3.65Å; H189-W361 AromaticContact CD2-NE1 3.21Å; H189-W361 PolarHBondContact CD2-NE1 2.93Å; H189-W361 AromaticContact CG-NE1 3.76Å; H189-W361 AromaticContact NE2-CD1 3.54Å; H189-W361 AromaticContact NE2-NE1 3.65Å; H189-Y366 AromaticContact CE1-CZ 4Å; H189-Y366 PolarHBondContact CE1-OH 2.86Å; H189-Y366 AromaticContact NE2-CE2 3.92Å; H189-Y366 AromaticContact NE2-CZ 3.93Å; H189-Y366 PolarHBondContact NE2-OH 3.27Å; H189-Y366 VanDerWaalsContact NE2-OH 3.14Å
190	H	87.8	Confident	94.1	Very high	7 Å²	7	41.5 Å²	41.5	3%	0.032	23%	0.233	C	C	.	.	S	Bend	trans	-121.5	-174.7	178.7	-47.1	120.2	0	0	0	111.4	P163 D288 W361	P163-H190 WeakPolarHBondContact CB-O 3.19Å; H190-D288 HydrophobicContact CB-CB 4.18Å; H190-D288 IonicContact CE1-OD2 2.7Å; H190-D288 IonicContact CG-OD2 3.88Å; H190-D288 PolarHBondContact ND1-O 2.89Å; H190-D288 IonicContact ND1-OD2 2.88Å; H190-D288 PolarHBondContact ND1-OD2 3.26Å; H190-W361 AromaticContact CE1-CH2 3.14Å; H190-W361 WeakPolarHBondContact CE1-CH2 3.22Å; H190-W361 AromaticContact CE1-CZ2 3.4Å; H190-W361 VanDerWaalsContact CE1-CZ2 3.4Å; H190-W361 WeakPolarHBondContact CE1-CZ2 3.24Å; H190-W361 AromaticContact NE2-CH2 3.3Å; H190-W361 VanDerWaalsContact NE2-CH2 3.3Å; H190-W361 WeakPolarHBondContact NE2-CH2 3.5Å; H190-W361 AromaticContact NE2-CZ2 3.25Å; H190-W361 VanDerWaalsContact NE2-CZ2 3.25Å; H190-W361 WeakPolarHBondContact NE2-CZ2 3.29Å
191	K	87.5	Confident	94.2	Very high	67 Å²	67	43.8 Å²	43.8	29%	0.291	23%	0.234	S	C	.	.	P	Polyproline II helix	trans	-58.6	143.9	168.2	66.2	-178.5	-174.7	-179.9	0	111.5	D145 P193 C289	D145-K191 IonicContact OD2-NZ 4Å; D145-K191 PolarHBondContact OD2-NZ 3.5Å; K191-P193 WeakPolarHBondContact O-CD 3.27Å; K191-C289 WeakPolarHBondContact CE-O 3.17Å
192	I	92.4	Very high	94.4	Very high	6 Å²	6	43 Å²	43	3%	0.031	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-76.3	120.2	175.2	-60.7	167.3	0	0	0	108.1	F148 L164 N188 T325 E326 W346	F148-I192 HydrophobicContact CB-CB 4.08Å; F148-I192 HydrophobicContact CB-CG2 4.07Å; F148-I192 HydrophobicContact CD1-CB 4.29Å; F148-I192 HydrophobicContact CD1-CD1 4.17Å; F148-I192 HydrophobicContact CD1-CG2 3.84Å; F148-I192 HydrophobicContact CG-CG2 4.39Å; F148-I192 PolarHBondContact N-O 3.05Å; F148-I192 WeakPolarHBondContact O-CD1 3.33Å; L164-I192 HydrophobicContact CB-CD1 4.49Å; L164-I192 HydrophobicContact CD2-CD1 4.14Å; N188-I192 VanDerWaalsContact ND2-CD1 3.33Å; N188-I192 WeakPolarHBondContact ND2-CD1 3.48Å; N188-I192 VanDerWaalsContact ND2-CG1 3.32Å; N188-I192 WeakPolarHBondContact ND2-CG1 3.32Å; I192-T325 HydrophobicContact CG2-CG2 3.83Å; I192-E326 HydrophobicContact CD1-CB 3.66Å; I192-W346 HydrophobicContact CB-CZ2 4.19Å; I192-W346 HydrophobicContact CG1-CH2 4.27Å; I192-W346 HydrophobicContact CG1-CZ2 3.96Å; I192-W346 HydrophobicContact CG2-CZ2 3.74Å
193	P	93	Very high	94.7	Very high	23 Å²	23	43 Å²	43	15%	0.149	22%	0.22	C	C	.	.	P	Polyproline II helix	trans	-73.3	144.8	176.8	30.6	-34.7	0	0	0	111.1	K191 V195 L287 D288 W346	K191-P193 WeakPolarHBondContact O-CD 3.27Å; P193-V195 HydrophobicContact CB-CG2 4.3Å; P193-V195 HydrophobicContact CG-CG2 4.43Å; P193-L287 HydrophobicContact CG-CB 4.38Å; P193-D288 HydrophobicContact CG-CB 4.31Å; P193-W346 HydrophobicContact CG-CB 3.8Å; P193-W346 HydrophobicContact CG-CD2 3.77Å; P193-W346 HydrophobicContact CG-CE3 4.39Å; P193-W346 HydrophobicContact CG-CG 3.45Å; P193-W346 VanDerWaalsContact CG-CG 3.45Å
194	V	91.7	Very high	94.9	Very high	118 Å²	118	42.4 Å²	42.4	72%	0.715	22%	0.217	S	C	*	.			trans	-97.5	114	166.8	-178.4	0	0	0	0	107.4	F148	F148-V194 HydrophobicContact CB-CG2 3.75Å; F148-V194 HydrophobicContact CD2-CG2 4.32Å; F148-V194 HydrophobicContact CG-CG2 4.37Å
195	V	94.3	Very high	94.9	Very high	24 Å²	24	45.8 Å²	45.8	15%	0.145	23%	0.231	C	C	.	.			trans	-106.7	123.3	-173	-177.9	0	0	0	0	110	P193 V197 Y200 L287 P330	P193-V195 HydrophobicContact CB-CG2 4.3Å; P193-V195 HydrophobicContact CG-CG2 4.43Å; V195-V197 PolarHBondContact O-N 3.25Å; V195-Y200 HydrophobicContact CG1-CD2 3.81Å; V195-Y200 HydrophobicContact CG1-CG 4.32Å; V195-L287 HydrophobicContact CG1-CD1 4.29Å; V195-L287 HydrophobicContact CG2-CD1 3.89Å; V195-P330 HydrophobicContact CG1-CG 4.18Å
196	D	95.7	Very high	94.7	Very high	92 Å²	92	45.6 Å²	45.6	49%	0.492	23%	0.231	S	C	.	.			trans	-71.3	113.6	166.4	175.8	5.6	0	0	0	109.6	H198 A199 Y200	D196-H198 PolarHBondContact O-N 2.92Å; D196-H198 IonicContact OD1-CD2 3.86Å; D196-H198 IonicContact OD1-CG 2.94Å; D196-H198 PolarHBondContact OD1-N 2.84Å; D196-A199 HydrophobicContact CB-CB 4.14Å; D196-A199 PolarHBondContact O-N 3.25Å; D196-Y200 WeakPolarHBondContact O-CB 3.4Å; D196-Y200 PolarHBondContact O-N 3.46Å
197	V	95.8	Very high	94.5	Very high	46 Å²	46	48.1 Å²	48.1	28%	0.279	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-24.8	-177.7	69.4	0	0	0	0	113.5	V195 L216 F329 P330	V195-V197 PolarHBondContact O-N 3.25Å; V197-L216 HydrophobicContact CG2-CB 4.37Å; V197-L216 HydrophobicContact CG2-CD2 3.56Å; V197-F329 HydrophobicContact CB-CE1 4.13Å; V197-F329 HydrophobicContact CB-CZ 3.96Å; V197-F329 HydrophobicContact CG2-CZ 4.11Å; V197-P330 HydrophobicContact CG2-CB 4.2Å
198	H	95.3	Very high	94.2	Very high	156 Å²	156	52.8 Å²	52.8	72%	0.722	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-36.7	179	-61.8	-66.2	0	0	0	111.8	D196 R201	D196-H198 PolarHBondContact O-N 2.92Å; D196-H198 IonicContact OD1-CD2 3.86Å; D196-H198 IonicContact OD1-CG 2.94Å; D196-H198 PolarHBondContact OD1-N 2.84Å; H198-R201 PolarHBondContact O-NH1 3.02Å
199	A	96.6	Very high	94.1	Very high	66 Å²	66	55.3 Å²	55.3	55%	0.545	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-20.7	173.8	0	0	0	0	0	113.2	D196 R201	D196-A199 HydrophobicContact CB-CB 4.14Å; D196-A199 PolarHBondContact O-N 3.25Å; A199-R201 PolarHBondContact O-N 3.26Å; A199-R201 PolarHBondContact O-NH1 3.18Å
200	Y	97.8	Very high	94.3	Very high	9 Å²	9	60.7 Å²	60.7	4%	0.035	32%	0.315	C	S	.	.			trans	-54.7	133.2	-178	173.7	-99.1	0	0	0	113.1	V195 D196 L202 L216 L287 P330 L331 L347	V195-Y200 HydrophobicContact CG1-CD2 3.81Å; V195-Y200 HydrophobicContact CG1-CG 4.32Å; D196-Y200 WeakPolarHBondContact O-CB 3.4Å; D196-Y200 PolarHBondContact O-N 3.46Å; Y200-L202 HydrophobicContact CE1-CB 4.29Å; Y200-L216 HydrophobicContact CD1-CB 4.19Å; Y200-L287 HydrophobicContact CD2-CD1 4.22Å; Y200-L287 HydrophobicContact CE2-CD1 4.15Å; Y200-P330 HydrophobicContact CD1-CG 3.84Å; Y200-P330 HydrophobicContact CD2-CG 3.62Å; Y200-P330 HydrophobicContact CE1-CG 4.06Å; Y200-P330 HydrophobicContact CE2-CG 3.86Å; Y200-P330 HydrophobicContact CG-CG 3.6Å; Y200-L331 HydrophobicContact CE1-CB 4.44Å; Y200-L331 WeakPolarHBondContact OH-CB 3.4Å; Y200-L331 VanDerWaalsContact OH-CD2 3.24Å; Y200-L331 WeakPolarHBondContact OH-CD2 3.29Å; Y200-L347 VanDerWaalsContact CE2-O 3.25Å; Y200-L347 WeakPolarHBondContact CE2-O 3.29Å; Y200-L347 PolarHBondContact OH-O 3.01Å
201	R	97.9	Very high	94.7	Very high	104 Å²	104	63.8 Å²	63.8	39%	0.392	33%	0.329	S	S	.	.			trans	-133.7	131.5	170.9	-63.1	-63.8	179.4	-83.1	-2.7	109.4	H198 A199 F214	H198-R201 PolarHBondContact O-NH1 3.02Å; A199-R201 PolarHBondContact O-N 3.26Å; A199-R201 PolarHBondContact O-NH1 3.18Å; R201-F214 WeakPolarHBondContact CA-O 3.22Å
202	L	98.5	Very high	95.2	Very high	0 Å²	0	62.5 Å²	62.5	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	118.8	163.8	178.3	66.2	0	0	0	108.4	Y200 V204 E213 F214 L219 L268 L314 L331 L347 I350	Y200-L202 HydrophobicContact CE1-CB 4.29Å; L202-V204 HydrophobicContact CD2-CG2 4.2Å; L202-V204 HydrophobicContact CG-CG2 4.13Å; L202-E213 CarbonylContact O-C 3.56Å; L202-E213 VanDerWaalsContact O-CA 3.29Å; L202-E213 WeakPolarHBondContact O-CA 3.42Å; L202-F214 PolarHBondContact N-O 3.12Å; L202-F214 PolarHBondContact O-N 3.09Å; L202-L219 HydrophobicContact CD2-CD1 3.99Å; L202-L219 HydrophobicContact CD2-CD2 4.3Å; L202-L268 HydrophobicContact CD2-CD1 3.95Å; L202-L314 HydrophobicContact CD2-CD1 3.96Å; L202-L331 HydrophobicContact CD1-CD2 4.28Å; L202-L331 HydrophobicContact CD2-CD2 3.83Å; L202-L331 HydrophobicContact CG-CD2 4.44Å; L202-L347 HydrophobicContact CD1-CD2 3.75Å; L202-L347 HydrophobicContact CD1-CG 3.69Å; L202-I350 HydrophobicContact CD1-CD1 4.26Å; L202-I350 HydrophobicContact CD1-CG1 4.1Å; L202-I350 HydrophobicContact CD2-CD1 4.16Å
203	K	98.2	Very high	95.4	Very high	73 Å²	73	66.1 Å²	66.1	32%	0.317	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	136.8	172	-67.8	167.9	175	-75.4	0	110.2	E211 E213 G348 L349 I350	K203-E211 HydrophobicContact CB-CG 4.44Å; K203-E211 IonicContact NZ-OE1 3.68Å; K203-E211 PolarHBondContact NZ-OE1 3.44Å; K203-E213 WeakPolarHBondContact CE-OE1 3.24Å; K203-E213 HydrophobicContact CG-CG 4.04Å; K203-E213 IonicContact NZ-OE1 3.62Å; K203-E213 PolarHBondContact NZ-OE1 3.14Å; K203-G348 PolarHBondContact N-O 3.06Å; K203-L349 HydrophobicContact CB-CB 4.48Å; K203-L349 HydrophobicContact CB-CD1 3.56Å; K203-L349 CarbonylContact O-C 3.59Å; K203-L349 WeakPolarHBondContact O-CA 3.48Å; K203-I350 PolarHBondContact O-N 3.08Å
204	V	98.1	Very high	95.7	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	115.2	178.2	-171.8	0	0	0	0	108.7	L202 E211 V212 F214 L268 L269 A272 I350	L202-V204 HydrophobicContact CD2-CG2 4.2Å; L202-V204 HydrophobicContact CG-CG2 4.13Å; V204-E211 CarbonylContact O-C 3.55Å; V204-E211 WeakPolarHBondContact O-CA 3.17Å; V204-V212 PolarHBondContact N-O 3.09Å; V204-V212 PolarHBondContact O-N 3.14Å; V204-F214 HydrophobicContact CG2-CD2 3.99Å; V204-F214 HydrophobicContact CG2-CE2 3.92Å; V204-L268 HydrophobicContact CB-CD2 4.48Å; V204-L268 HydrophobicContact CG1-CD2 3.91Å; V204-L268 HydrophobicContact CG2-CD1 4.39Å; V204-L268 HydrophobicContact CG2-CD2 3.77Å; V204-L268 HydrophobicContact CG2-CG 4.45Å; V204-L269 HydrophobicContact CG1-CD2 4.34Å; V204-A272 HydrophobicContact CB-CB 4.47Å; V204-A272 HydrophobicContact CG1-CB 3.73Å; V204-I350 CarbonylContact C-O 3.5Å; V204-I350 WeakPolarHBondContact CA-O 3.25Å; V204-I350 HydrophobicContact CG1-CB 4.35Å; V204-I350 HydrophobicContact CG1-CG2 4.49Å
205	K	96.8	Very high	96	Very high	74 Å²	74	60.5 Å²	60.5	32%	0.322	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	118.5	175.7	-65.4	-177	179.7	179.1	0	109.8	K210 E211 L349 I350 C351 I352	K205-K210 WeakPolarHBondContact CA-O 3.48Å; K205-E211 WeakPolarHBondContact CE-OE2 3.43Å; K205-E211 HydrophobicContact CG-CB 4.12Å; K205-E211 HydrophobicContact CG-CG 4.16Å; K205-E211 IonicContact NZ-OE2 2.69Å; K205-L349 HydrophobicContact CD-CD1 4.3Å; K205-L349 HydrophobicContact CG-CD1 4.2Å; K205-I350 PolarHBondContact N-O 3.49Å; K205-C351 WeakPolarHBondContact O-CA 3.32Å; K205-I352 PolarHBondContact O-N 3.26Å
206	N	94.7	Very high	96.2	Very high	10 Å²	10	60.1 Å²	60.1	5%	0.053	31%	0.307	C	S	.	.			trans	-76.5	179.5	174.3	74.7	6.7	0	0	0	111.8	F208 G209 K210 A272 V274	N206-F208 PolarHBondContact O-N 2.76Å; N206-F208 VanDerWaalsContact O-N 3.13Å; N206-F208 WeakPolarHBondContact OD1-CA 3.31Å; N206-F208 PolarHBondContact OD1-N 2.83Å; N206-G209 PolarHBondContact O-N 3.02Å; N206-G209 PolarHBondContact OD1-N 3.36Å; N206-K210 PolarHBondContact N-O 3.25Å; N206-K210 VanDerWaalsContact N-O 3.11Å; N206-K210 WeakPolarHBondContact OD1-CB 3.12Å; N206-K210 PolarHBondContact OD1-N 3.09Å; N206-A272 PolarHBondContact ND2-O 2.91Å; N206-A272 VanDerWaalsContact ND2-O 3.16Å; N206-V274 HydrophobicContact CB-CG2 3.87Å
207	E	91.1	Very high	96.3	Very high	54 Å²	54	60.1 Å²	60.1	25%	0.252	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.6	-178.8	64.3	-91.3	-139.4	0	0	114.2	V274 H275 K276 I352	E207-V274 VanDerWaalsContact OE2-CA 3.29Å; E207-V274 WeakPolarHBondContact OE2-CA 3.43Å; E207-H275 PolarHBondContact OE1-N 2.93Å; E207-K276 PolarHBondContact OE1-N 2.96Å; E207-I352 HydrophobicContact CB-CB 4.34Å; E207-I352 HydrophobicContact CB-CG2 3.93Å
208	F	91.8	Very high	96.4	Very high	154 Å²	154	61.1 Å²	61.1	68%	0.675	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	3.9	176.7	-51.7	-69.6	0	0	0	112.8	N206 K210	N206-F208 PolarHBondContact O-N 2.76Å; N206-F208 VanDerWaalsContact O-N 3.13Å; N206-F208 WeakPolarHBondContact OD1-CA 3.31Å; N206-F208 PolarHBondContact OD1-N 2.83Å; F208-K210 PolarHBondContact O-N 2.89Å
209	G	90.8	Very high	96.5	Very high	55 Å²	55	53.7 Å²	53.7	57%	0.567	27%	0.274	S	S	*	.			trans	75.8	6.3	-176.2	0	0	0	0	0	114.6	N206 E211	N206-G209 PolarHBondContact O-N 3.02Å; N206-G209 PolarHBondContact OD1-N 3.36Å; G209-E211 PolarHBondContact O-N 2.86Å
210	K	94.4	Very high	96.5	Very high	136 Å²	136	55.1 Å²	55.1	59%	0.591	27%	0.268	S	S	*	.			trans	-70.2	123.9	175	-177	-175.2	177.1	-175.7	0	109	K205 N206 F208	K205-K210 WeakPolarHBondContact CA-O 3.48Å; N206-K210 PolarHBondContact N-O 3.25Å; N206-K210 VanDerWaalsContact N-O 3.11Å; N206-K210 WeakPolarHBondContact OD1-CB 3.12Å; N206-K210 PolarHBondContact OD1-N 3.09Å; F208-K210 PolarHBondContact O-N 2.89Å
211	E	96.8	Very high	96.5	Very high	72 Å²	72	62.2 Å²	62.2	34%	0.336	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	134.6	178.5	-170.9	170.5	126.9	0	0	111	K203 V204 K205 G209	K203-E211 HydrophobicContact CB-CG 4.44Å; K203-E211 IonicContact NZ-OE1 3.68Å; K203-E211 PolarHBondContact NZ-OE1 3.44Å; V204-E211 CarbonylContact O-C 3.55Å; V204-E211 WeakPolarHBondContact O-CA 3.17Å; K205-E211 WeakPolarHBondContact CE-OE2 3.43Å; K205-E211 HydrophobicContact CG-CB 4.12Å; K205-E211 HydrophobicContact CG-CG 4.16Å; K205-E211 IonicContact NZ-OE2 2.69Å; G209-E211 PolarHBondContact O-N 2.86Å
212	V	96.6	Very high	96.5	Very high	40 Å²	40	64.2 Å²	64.2	24%	0.242	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.8	167.2	-176.3	0	0	0	0	107.8	V204 F214	V204-V212 PolarHBondContact N-O 3.09Å; V204-V212 PolarHBondContact O-N 3.14Å; V212-F214 HydrophobicContact CB-CE2 4.24Å; V212-F214 HydrophobicContact CG1-CD2 4.45Å; V212-F214 HydrophobicContact CG1-CE1 4.42Å; V212-F214 HydrophobicContact CG1-CE2 3.75Å; V212-F214 HydrophobicContact CG1-CZ 3.74Å
213	E	97.8	Very high	96.5	Very high	82 Å²	82	65.3 Å²	65.3	38%	0.383	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	144.5	176.4	-60.7	-166.1	166.4	0	0	111.4	L202 K203	L202-E213 CarbonylContact O-C 3.56Å; L202-E213 VanDerWaalsContact O-CA 3.29Å; L202-E213 WeakPolarHBondContact O-CA 3.42Å; K203-E213 WeakPolarHBondContact CE-OE1 3.24Å; K203-E213 HydrophobicContact CG-CG 4.04Å; K203-E213 IonicContact NZ-OE1 3.62Å; K203-E213 PolarHBondContact NZ-OE1 3.14Å
214	F	98.3	Very high	96.5	Very high	3 Å²	3	68.9 Å²	68.9	1%	0.013	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	131.8	172.5	-58	-91.7	0	0	0	110.6	R201 L202 V204 V212 E218 L219 F223 L268 H271	R201-F214 WeakPolarHBondContact CA-O 3.22Å; L202-F214 PolarHBondContact N-O 3.12Å; L202-F214 PolarHBondContact O-N 3.09Å; V204-F214 HydrophobicContact CG2-CD2 3.99Å; V204-F214 HydrophobicContact CG2-CE2 3.92Å; V212-F214 HydrophobicContact CB-CE2 4.24Å; V212-F214 HydrophobicContact CG1-CD2 4.45Å; V212-F214 HydrophobicContact CG1-CE1 4.42Å; V212-F214 HydrophobicContact CG1-CE2 3.75Å; V212-F214 HydrophobicContact CG1-CZ 3.74Å; F214-E218 HydrophobicContact CD1-CB 4.47Å; F214-L219 HydrophobicContact CB-CD2 3.62Å; F214-L219 HydrophobicContact CB-CG 3.78Å; F214-L219 HydrophobicContact CD1-CD2 4.1Å; F214-L219 HydrophobicContact CD2-CD2 4.25Å; F214-L219 HydrophobicContact CG-CD2 3.74Å; F214-L219 HydrophobicContact CG-CG 4.43Å; F214-F223 HydrophobicContact CD1-CE2 4.24Å; F214-F223 AromaticContact CE1-CE2 3.9Å; F214-F223 HydrophobicContact CE1-CE2 3.9Å; F214-F223 HydrophobicContact CE1-CZ 4.02Å; F214-F223 HydrophobicContact CZ-CE2 4.4Å; F214-F223 HydrophobicContact CZ-CZ 4.2Å; F214-L268 HydrophobicContact CD2-CD1 4.13Å; F214-L268 HydrophobicContact CE2-CD1 4.09Å; F214-L268 HydrophobicContact CE2-CG 4.33Å; F214-H271 AromaticContact CZ-CD2 3.74Å
215	S	98.4	Very high	96.5	Very high	21 Å²	21	74.4 Å²	74.4	15%	0.147	36%	0.355	C	S	.	.			trans	-70.5	160.3	158.3	64.3	0	0	0	0	110.9	N217 E218 L219	S215-N217 PolarHBondContact O-N 2.94Å; S215-E218 WeakPolarHBondContact CB-OE2 3.39Å; S215-E218 PolarHBondContact N-OE2 2.83Å; S215-E218 PolarHBondContact O-N 3.34Å; S215-E218 VanDerWaalsContact O-N 3.14Å; S215-E218 WeakPolarHBondContact OG-CB 3.24Å; S215-E218 VanDerWaalsContact OG-CG 3.26Å; S215-E218 WeakPolarHBondContact OG-CG 3.48Å; S215-E218 PolarHBondContact OG-N 2.62Å; S215-E218 PolarHBondContact OG-OE2 3.43Å; S215-L219 PolarHBondContact O-N 3.25Å; S215-L219 VanDerWaalsContact O-N 3.09Å
216	L	98.1	Very high	96.6	Very high	15 Å²	15	72 Å²	72	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-57.3	-37.5	174.6	-175	70.2	0	0	0	111.9	V197 Y200 L219 K220 Y316 P330 L331	V197-L216 HydrophobicContact CG2-CB 4.37Å; V197-L216 HydrophobicContact CG2-CD2 3.56Å; Y200-L216 HydrophobicContact CD1-CB 4.19Å; L216-L219 PolarHBondContact O-N 3.06Å; L216-K220 WeakPolarHBondContact O-CG 3.31Å; L216-K220 PolarHBondContact O-N 2.92Å; L216-K220 VanDerWaalsContact O-N 3.16Å; L216-Y316 HydrophobicContact CD1-CD1 4.34Å; L216-Y316 HydrophobicContact CD1-CG 4.4Å; L216-P330 HydrophobicContact CD1-CB 4.44Å; L216-P330 HydrophobicContact CD2-CB 3.96Å; L216-L331 HydrophobicContact CD1-CD1 4.13Å
217	N	97.8	Very high	96.8	Very high	92 Å²	92	75.3 Å²	75.3	49%	0.492	37%	0.367	S	S	.	.	H	α-helix	trans	-68.1	-37.1	179	-173.5	49	0	0	0	112.2	S215 K220 K221	S215-N217 PolarHBondContact O-N 2.94Å; N217-K220 PolarHBondContact O-N 2.78Å; N217-K221 WeakPolarHBondContact O-CB 3.26Å; N217-K221 WeakPolarHBondContact O-CG 3.37Å; N217-K221 PolarHBondContact O-N 2.96Å; N217-K221 VanDerWaalsContact O-N 3.09Å; N217-K221 WeakPolarHBondContact OD1-CE 3.28Å
218	E	98	Very high	97.1	Very high	67 Å²	67	73.1 Å²	73.1	31%	0.313	36%	0.357	S	S	.	.	H	α-helix	trans	-67.2	-40.4	174.9	-75.9	166.8	126.3	0	0	111.9	F214 S215 K220 K221 R222	F214-E218 HydrophobicContact CD1-CB 4.47Å; S215-E218 WeakPolarHBondContact CB-OE2 3.39Å; S215-E218 PolarHBondContact N-OE2 2.83Å; S215-E218 PolarHBondContact O-N 3.34Å; S215-E218 VanDerWaalsContact O-N 3.14Å; S215-E218 WeakPolarHBondContact OG-CB 3.24Å; S215-E218 VanDerWaalsContact OG-CG 3.26Å; S215-E218 WeakPolarHBondContact OG-CG 3.48Å; S215-E218 PolarHBondContact OG-N 2.62Å; S215-E218 PolarHBondContact OG-OE2 3.43Å; E218-K220 PolarHBondContact O-N 2.87Å; E218-K221 PolarHBondContact O-N 3.21Å; E218-R222 VanDerWaalsContact O-CB 3.24Å; E218-R222 WeakPolarHBondContact O-CB 3.3Å; E218-R222 WeakPolarHBondContact O-CG 3.25Å; E218-R222 PolarHBondContact O-N 2.98Å
219	L	97.9	Very high	97.4	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-56.1	-51	173.7	-67	175.9	0	0	0	110.9	L202 F214 S215 L216 K221 F223 L268 L331	L202-L219 HydrophobicContact CD2-CD1 3.99Å; L202-L219 HydrophobicContact CD2-CD2 4.3Å; F214-L219 HydrophobicContact CB-CD2 3.62Å; F214-L219 HydrophobicContact CB-CG 3.78Å; F214-L219 HydrophobicContact CD1-CD2 4.1Å; F214-L219 HydrophobicContact CD2-CD2 4.25Å; F214-L219 HydrophobicContact CG-CD2 3.74Å; F214-L219 HydrophobicContact CG-CG 4.43Å; S215-L219 PolarHBondContact O-N 3.25Å; S215-L219 VanDerWaalsContact O-N 3.09Å; L216-L219 PolarHBondContact O-N 3.06Å; L219-K221 VanDerWaalsContact C-N 3.29Å; L219-K221 PolarHBondContact O-N 3.08Å; L219-F223 HydrophobicContact CD2-CD2 4.23Å; L219-F223 HydrophobicContact CD2-CE2 3.97Å; L219-F223 WeakPolarHBondContact O-CD2 3.44Å; L219-F223 PolarHBondContact O-N 2.79Å; L219-L268 HydrophobicContact CD2-CD1 3.39Å; L219-L331 HydrophobicContact CD1-CD1 4.2Å; L219-L331 HydrophobicContact CD1-CD2 3.7Å
220	K	97.7	Very high	97.8	Very high	96 Å²	96	64 Å²	64	42%	0.417	30%	0.304	S	S	.	.	H	α-helix	trans	-62.7	-29.8	179.9	-71.6	-179.4	176.5	-170.4	0	114.3	L216 N217 E218 Y316	L216-K220 WeakPolarHBondContact O-CG 3.31Å; L216-K220 PolarHBondContact O-N 2.92Å; L216-K220 VanDerWaalsContact O-N 3.16Å; N217-K220 PolarHBondContact O-N 2.78Å; E218-K220 PolarHBondContact O-N 2.87Å; K220-Y316 HydrophobicContact CD-CE1 4.49Å; K220-Y316 HydrophobicContact CD-CE2 4.41Å; K220-Y316 VanDerWaalsContact CE-CD2 3.43Å; K220-Y316 HydrophobicContact CG-CD1 4.05Å; K220-Y316 HydrophobicContact CG-CE1 3.6Å; K220-Y316 HydrophobicContact CG-CE2 4.25Å
221	K	97.9	Very high	98	Very high	159 Å²	159	57.6 Å²	57.6	69%	0.691	28%	0.276	S	S	*	.	H	α-helix	trans	-91	-32.6	-177.2	-74.7	-177.4	177.9	-172.6	0	113.8	N217 E218 L219	N217-K221 WeakPolarHBondContact O-CB 3.26Å; N217-K221 WeakPolarHBondContact O-CG 3.37Å; N217-K221 PolarHBondContact O-N 2.96Å; N217-K221 VanDerWaalsContact O-N 3.09Å; N217-K221 WeakPolarHBondContact OD1-CE 3.28Å; E218-K221 PolarHBondContact O-N 3.21Å; L219-K221 VanDerWaalsContact C-N 3.29Å; L219-K221 PolarHBondContact O-N 3.08Å
222	R	97.4	Very high	98.1	Very high	145 Å²	145	54.2 Å²	54.2	55%	0.547	26%	0.26	S	S	.	.	H	α-helix	trans	-88.6	-28.4	-171.7	-72.8	176.8	178.1	-99.3	2.8	113.4	E218	E218-R222 VanDerWaalsContact O-CB 3.24Å; E218-R222 WeakPolarHBondContact O-CB 3.3Å; E218-R222 WeakPolarHBondContact O-CG 3.25Å; E218-R222 PolarHBondContact O-N 2.98Å
223	F	98.2	Very high	98.2	Very high	23 Å²	23	52.9 Å²	52.9	10%	0.101	25%	0.251	C	S	.	.	S	Bend	trans	-117.1	153.4	-174.1	-56.4	-78.4	0	0	0	110.6	F214 L219 V263 D267 L268 H271	F214-F223 HydrophobicContact CD1-CE2 4.24Å; F214-F223 AromaticContact CE1-CE2 3.9Å; F214-F223 HydrophobicContact CE1-CE2 3.9Å; F214-F223 HydrophobicContact CE1-CZ 4.02Å; F214-F223 HydrophobicContact CZ-CE2 4.4Å; F214-F223 HydrophobicContact CZ-CZ 4.2Å; L219-F223 HydrophobicContact CD2-CD2 4.23Å; L219-F223 HydrophobicContact CD2-CE2 3.97Å; L219-F223 WeakPolarHBondContact O-CD2 3.44Å; L219-F223 PolarHBondContact O-N 2.79Å; F223-V263 HydrophobicContact CB-CB 3.8Å; F223-V263 HydrophobicContact CB-CG1 3.59Å; F223-V263 HydrophobicContact CG-CB 4.43Å; F223-V263 HydrophobicContact CG-CG1 4.44Å; F223-D267 HydrophobicContact CD1-CB 4.07Å; F223-L268 HydrophobicContact CE1-CB 4.25Å; F223-L268 HydrophobicContact CE2-CB 4.44Å; F223-L268 HydrophobicContact CE2-CD1 4.27Å; F223-L268 HydrophobicContact CZ-CB 4.07Å; F223-L268 HydrophobicContact CZ-CD1 4.49Å; F223-L268 HydrophobicContact CZ-CG 4.34Å; F223-H271 HydrophobicContact CE1-CB 3.71Å; F223-H271 HydrophobicContact CZ-CB 3.89Å; F223-H271 AromaticContact CZ-CG 3.93Å
224	E	98.1	Very high	98.2	Very high	148 Å²	148	49.4 Å²	49.4	69%	0.692	24%	0.235	S	C	*	.			trans	-65.4	134.9	176.1	-173.6	177	163.6	0	0	110.6
225	E	98.4	Very high	98.2	Very high	116 Å²	116	49.3 Å²	49.3	54%	0.542	24%	0.235	S	C	.	.			trans	-76.5	124.1	174.3	179.8	169	95.4	0	0	110.1	T261 G262 Y316	E225-T261 HydrophobicContact CG-CG2 3.38Å; E225-G262 WeakPolarHBondContact CA-O 3.4Å; E225-Y316 WeakPolarHBondContact CG-OH 3.36Å; E225-Y316 WeakPolarHBondContact OE2-CE2 3.36Å; E225-Y316 PolarHBondContact OE2-OH 3.47Å
226	V	98.4	Very high	98.1	Very high	24 Å²	24	48.3 Å²	48.3	15%	0.145	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	131.5	178.5	178.4	0	0	0	0	109.3	I228 T261 G262 L264 L313	V226-I228 HydrophobicContact CG1-CG2 4.13Å; V226-T261 WeakPolarHBondContact O-CA 3.2Å; V226-G262 PolarHBondContact N-O 3.41Å; V226-G262 PolarHBondContact O-N 3.29Å; V226-L264 HydrophobicContact CB-CG 4.43Å; V226-L264 HydrophobicContact CG1-CD2 4.42Å; V226-L264 HydrophobicContact CG2-CD1 4.15Å; V226-L264 HydrophobicContact CG2-CG 3.93Å; V226-L313 HydrophobicContact CB-CD2 3.87Å; V226-L313 HydrophobicContact CG1-CD2 3.99Å
227	T	98.3	Very high	98.1	Very high	79 Å²	79	47.7 Å²	47.7	49%	0.485	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	130.9	172.6	-61.4	0	0	0	0	110.5	W260 T261	T227-W260 CarbonylContact C-O 3.56Å; T227-W260 VanDerWaalsContact CA-O 3.3Å; T227-W260 WeakPolarHBondContact CA-O 3.32Å; T227-T261 WeakPolarHBondContact CG2-OG1 3.46Å; T227-T261 WeakPolarHBondContact OG1-CB 3.45Å; T227-T261 VanDerWaalsContact OG1-CG2 3.31Å; T227-T261 WeakPolarHBondContact OG1-CG2 3.25Å; T227-T261 PolarHBondContact OG1-OG1 3.12Å
228	I	97.9	Very high	98.1	Very high	8 Å²	8	43.3 Å²	43.3	4%	0.041	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	158	173.5	71.2	-176.9	0	0	0	110.9	V226 A230 T259 W260 Q311 L313 I334 P336	V226-I228 HydrophobicContact CG1-CG2 4.13Å; I228-A230 HydrophobicContact CD1-CB 4.17Å; I228-A230 HydrophobicContact CG1-CB 4.32Å; I228-T259 CarbonylContact O-C 3.55Å; I228-T259 VanDerWaalsContact O-CA 3.31Å; I228-T259 WeakPolarHBondContact O-CA 3.46Å; I228-W260 HydrophobicContact CG1-CB 4.25Å; I228-W260 PolarHBondContact N-O 3.02Å; I228-W260 PolarHBondContact O-N 3.46Å; I228-Q311 HydrophobicContact CD1-CB 4.36Å; I228-Q311 HydrophobicContact CG2-CB 4.24Å; I228-L313 HydrophobicContact CB-CD1 4.32Å; I228-L313 HydrophobicContact CD1-CD1 3.5Å; I228-L313 HydrophobicContact CD1-CG 4.02Å; I228-L313 HydrophobicContact CG1-CD1 3.51Å; I228-L313 HydrophobicContact CG2-CD1 4.09Å; I228-I334 HydrophobicContact CD1-CG2 4.31Å; I228-P336 HydrophobicContact CD1-CG 3.45Å; I228-P336 VanDerWaalsContact CD1-CG 3.45Å
229	V	98.4	Very high	98.1	Very high	19 Å²	19	40.6 Å²	40.6	12%	0.115	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	120.8	164.5	-169.9	0	0	0	0	107.9	F177 Y178 N257 A258 T259 I447 Q449 W455 A456	F177-V229 HydrophobicContact CE1-CG1 4.07Å; F177-V229 HydrophobicContact CZ-CG1 4.34Å; Y178-V229 HydrophobicContact CD1-CG1 4.37Å; Y178-V229 HydrophobicContact CE1-CG1 3.78Å; Y178-V229 HydrophobicContact CE1-CG2 4.01Å; V229-N257 WeakPolarHBondContact CG1-ND2 3.39Å; V229-A258 WeakPolarHBondContact CA-O 3.21Å; V229-T259 HydrophobicContact CG2-CG2 4.25Å; V229-I447 HydrophobicContact CB-CD1 3.61Å; V229-I447 HydrophobicContact CG1-CD1 3.91Å; V229-I447 HydrophobicContact CG2-CD1 3.65Å; V229-Q449 PolarHBondContact O-NE2 2.9Å; V229-W455 WeakPolarHBondContact O-CB 3.49Å; V229-A456 HydrophobicContact CB-CB 4.26Å; V229-A456 HydrophobicContact CG1-CB 3.74Å
230	A	98.6	Very high	97.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	137.2	179.7	0	0	0	0	0	111.6	I228 N257 A258 W260 I334 P336 W455	I228-A230 HydrophobicContact CD1-CB 4.17Å; I228-A230 HydrophobicContact CG1-CB 4.32Å; A230-N257 VanDerWaalsContact C-OD1 3.29Å; A230-N257 PolarHBondContact O-OD1 3.24Å; A230-A258 PolarHBondContact N-O 2.88Å; A230-A258 VanDerWaalsContact N-O 3.11Å; A230-A258 PolarHBondContact O-N 3.31Å; A230-W260 PolarHBondContact O-NE1 3.15Å; A230-I334 HydrophobicContact CB-CG2 4.34Å; A230-P336 HydrophobicContact CB-CB 4.39Å; A230-P336 HydrophobicContact CB-CG 4.49Å; A230-W455 HydrophobicContact CB-CB 3.96Å
231	T	98.8	Very high	97.7	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.006	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	133.2	171.5	-64.2	0	0	0	0	110.4	I255 G256 N257 W418 W455 W457	T231-I255 HydrophobicContact CG2-CD1 3.66Å; T231-I255 HydrophobicContact CG2-CG1 3.47Å; T231-I255 VanDerWaalsContact CG2-CG1 3.47Å; T231-G256 CarbonylContact C-O 3.57Å; T231-G256 WeakPolarHBondContact CA-O 3.47Å; T231-N257 PolarHBondContact N-OD1 3.17Å; T231-N257 WeakPolarHBondContact OG1-CB 3.41Å; T231-N257 PolarHBondContact OG1-OD1 3.18Å; T231-W418 HydrophobicContact CG2-CD2 4.35Å; T231-W418 HydrophobicContact CG2-CG 4.19Å; T231-W455 PolarHBondContact N-O 2.9Å; T231-W457 HydrophobicContact CG2-CB 4.33Å; T231-W457 HydrophobicContact CG2-CE3 4.42Å; T231-W457 WeakPolarHBondContact OG1-CB 3.36Å; T231-W457 PolarHBondContact OG1-N 3.2Å
232	L	98.9	Very high	97.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	127.1	169.2	-63.1	-174.5	0	0	0	108.5	F184 Y185 I255 G256 W260 I334 A340	F184-L232 HydrophobicContact CE1-CB 4.48Å; F184-L232 HydrophobicContact CZ-CB 4.15Å; F184-L232 HydrophobicContact CZ-CD1 4.38Å; F184-L232 HydrophobicContact CZ-CG 4.44Å; Y185-L232 HydrophobicContact CE1-CB 4.17Å; Y185-L232 VanDerWaalsContact CE1-O 3.27Å; Y185-L232 WeakPolarHBondContact CE1-O 3.31Å; L232-I255 CarbonylContact O-C 3.52Å; L232-I255 VanDerWaalsContact O-CA 3.29Å; L232-I255 WeakPolarHBondContact O-CA 3.36Å; L232-G256 PolarHBondContact N-O 3.03Å; L232-G256 PolarHBondContact O-N 3.23Å; L232-W260 HydrophobicContact CD1-CH2 3.89Å; L232-W260 HydrophobicContact CD1-CZ2 3.54Å; L232-W260 HydrophobicContact CG-CZ2 3.96Å; L232-I334 HydrophobicContact CD1-CD1 3.86Å; L232-I334 HydrophobicContact CD2-CD1 4.3Å; L232-I334 HydrophobicContact CG-CD1 4.49Å; L232-A340 HydrophobicContact CB-CB 4.03Å
233	Q	98.8	Very high	97	Very high	12 Å²	12	30.8 Å²	30.8	6%	0.056	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.6	175.3	-179.3	179.9	-18.4	0	0	110.4	N237 I255 A340 L389 T392 W418	Q233-N237 HydrophobicContact CG-CB 3.9Å; Q233-I255 HydrophobicContact CB-CB 4.32Å; Q233-I255 HydrophobicContact CB-CD1 4Å; Q233-I255 HydrophobicContact CB-CG1 3.93Å; Q233-I255 HydrophobicContact CG-CB 4.26Å; Q233-I255 HydrophobicContact CG-CD1 4.13Å; Q233-I255 HydrophobicContact CG-CG1 4.27Å; Q233-A340 VanDerWaalsContact O-CB 3.24Å; Q233-A340 WeakPolarHBondContact O-CB 3.37Å; Q233-A340 PolarHBondContact O-N 3.4Å; Q233-L389 HydrophobicContact CB-CD1 3.78Å; Q233-L389 HydrophobicContact CG-CD1 3.95Å; Q233-T392 VanDerWaalsContact OE1-CG2 3.27Å; Q233-W418 HydrophobicContact CB-CZ3 4.25Å; Q233-W418 VanDerWaalsContact OE1-CE3 3.23Å
234	C	98.5	Very high	96.3	Very high	8 Å²	8	37.1 Å²	37.1	5%	0.054	21%	0.205	C	C	.	.			trans	-71	141.5	171.2	-174.4	0	0	0	0	110.7	Y185 G236 N237 A254	Y185-C234 HydrophobicContact CE2-CB 4.14Å; C234-G236 PolarHBondContact O-N 2.85Å; C234-G236 VanDerWaalsContact O-N 3.07Å; C234-N237 WeakPolarHBondContact O-CB 3.47Å; C234-N237 PolarHBondContact O-N 3.03Å; C234-A254 HydrophobicContact CB-CB 3.88Å; C234-A254 PolarHBondContact N-O 3.14Å
235	A	97.9	Very high	95.7	Very high	2 Å²	2	31.5 Å²	31.5	2%	0.017	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-29.7	174.4	0	0	0	0	0	113.3	V339 Y366 I386 F502 L503	A235-V339 HydrophobicContact CB-CG2 3.64Å; A235-Y366 HydrophobicContact CB-CD1 3.53Å; A235-Y366 HydrophobicContact CB-CE1 3.84Å; A235-I386 HydrophobicContact CB-CD1 4.39Å; A235-F502 HydrophobicContact CB-CD1 3.63Å; A235-F502 HydrophobicContact CB-CE1 4.04Å; A235-F502 HydrophobicContact CB-CG 4.2Å; A235-F502 CarbonylContact O-C 3.58Å; A235-F502 WeakPolarHBondContact O-CA 3.17Å; A235-L503 PolarHBondContact O-N 2.69Å
236	G	97	Very high	94.7	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	10.3	-179.7	0	0	0	0	0	114.6	C234 R238 R239 W250	C234-G236 PolarHBondContact O-N 2.85Å; C234-G236 VanDerWaalsContact O-N 3.07Å; G236-R238 PolarHBondContact O-N 2.8Å; G236-R239 VanDerWaalsContact O-CB 3.24Å; G236-R239 WeakPolarHBondContact O-CB 3.46Å; G236-R239 PolarHBondContact O-N 2.94Å; G236-W250 WeakPolarHBondContact O-CB 3.23Å
237	N	98.3	Very high	94	Very high	1 Å²	1	31.4 Å²	31.4	1%	0.005	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	137.2	173	-170.1	38.3	0	0	0	109.6	Q233 C234 R239 T251 A254 Y416	Q233-N237 HydrophobicContact CG-CB 3.9Å; C234-N237 WeakPolarHBondContact O-CB 3.47Å; C234-N237 PolarHBondContact O-N 3.03Å; N237-R239 PolarHBondContact O-N 3.47Å; N237-T251 PolarHBondContact OD1-O 3.19Å; N237-A254 HydrophobicContact CB-CB 4.05Å; N237-A254 PolarHBondContact OD1-N 3.28Å; N237-Y416 PolarHBondContact ND2-OH 3.14Å; N237-Y416 VanDerWaalsContact ND2-OH 3.09Å
238	R	97.7	Very high	93.4	Very high	1 Å²	1	28.8 Å²	28.8	0%	0.004	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	59	28.5	-174	-60.4	179.9	56.1	-152.9	-15	114.9	G236 A240 D241 W250 T251 A252 S393 N504 S506 H508	G236-R238 PolarHBondContact O-N 2.8Å; R238-A240 PolarHBondContact O-N 2.87Å; R238-D241 IonicContact CZ-OD2 3.88Å; R238-D241 IonicContact NE-OD2 3.94Å; R238-D241 PolarHBondContact NE-OD2 3.01Å; R238-D241 IonicContact NH2-OD2 2.94Å; R238-D241 PolarHBondContact NH2-OD2 2.97Å; R238-D241 PolarHBondContact O-N 2.94Å; R238-W250 CarbonylContact C-O 3.57Å; R238-T251 VanDerWaalsContact CA-O 3.26Å; R238-T251 WeakPolarHBondContact CA-O 3.4Å; R238-T251 PolarHBondContact N-O 2.82Å; R238-A252 HydrophobicContact CG-CB 4.23Å; R238-S393 PolarHBondContact NH1-O 3.09Å; R238-N504 HydrophobicContact CB-CB 4.05Å; R238-N504 PolarHBondContact O-ND2 2.84Å; R238-S506 PolarHBondContact NH1-O 2.78Å; R238-S506 PolarHBondContact NH2-O 2.84Å; R238-S506 VanDerWaalsContact NH2-O 3.14Å; R238-H508 PolarHBondContact NE-CD2 2.81Å; R238-H508 VanDerWaalsContact NH2-CA 3.34Å
239	R	96.4	Very high	93	Very high	10 Å²	10	31.7 Å²	31.7	4%	0.038	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-57.1	-33.4	171.9	179.6	174.6	-65.7	101.7	4.2	111.9	G236 N237 D241 F242 V245 L248 W250 R500 G501	G236-R239 VanDerWaalsContact O-CB 3.24Å; G236-R239 WeakPolarHBondContact O-CB 3.46Å; G236-R239 PolarHBondContact O-N 2.94Å; N237-R239 PolarHBondContact O-N 3.47Å; R239-D241 PolarHBondContact O-N 2.73Å; R239-D241 VanDerWaalsContact O-N 3.16Å; R239-F242 PolarHBondContact O-N 2.68Å; R239-F242 VanDerWaalsContact O-N 3.08Å; R239-V245 HydrophobicContact CG-CG2 3.65Å; R239-L248 WeakPolarHBondContact CD-O 3.36Å; R239-L248 PolarHBondContact NH1-O 2.76Å; R239-W250 PolarHBondContact N-O 3.38Å; R239-W250 VanDerWaalsContact N-O 3.15Å; R239-R500 PolarHBondContact NE-O 2.54Å; R239-R500 PolarHBondContact NH2-O 2.91Å; R239-R500 VanDerWaalsContact NH2-O 3.09Å; R239-G501 PolarHBondContact NE-O 3.29Å
240	A	93.8	Very high	92.8	Very high	41 Å²	41	31 Å²	31	34%	0.339	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-61.1	-19.6	-179.2	0	0	0	0	0	114.2	R238 F242 W250 T251	R238-A240 PolarHBondContact O-N 2.87Å; A240-F242 VanDerWaalsContact C-N 3.27Å; A240-F242 PolarHBondContact O-N 3.25Å; A240-W250 VanDerWaalsContact CB-O 3.25Å; A240-W250 WeakPolarHBondContact CB-O 3.48Å; A240-W250 PolarHBondContact N-O 3.12Å; A240-T251 HydrophobicContact CB-CG2 4.48Å
241	D	94.6	Very high	92.6	Very high	55 Å²	55	33.1 Å²	33.1	29%	0.294	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-86.9	2.7	178	-29.1	-26	0	0	0	112.9	R238 R239 S493 N504 H508	R238-D241 IonicContact CZ-OD2 3.88Å; R238-D241 IonicContact NE-OD2 3.94Å; R238-D241 PolarHBondContact NE-OD2 3.01Å; R238-D241 IonicContact NH2-OD2 2.94Å; R238-D241 PolarHBondContact NH2-OD2 2.97Å; R238-D241 PolarHBondContact O-N 2.94Å; R239-D241 PolarHBondContact O-N 2.73Å; R239-D241 VanDerWaalsContact O-N 3.16Å; D241-S493 PolarHBondContact O-OG 3.06Å; D241-N504 WeakPolarHBondContact CB-ND2 3.28Å; D241-N504 PolarHBondContact OD2-ND2 2.73Å; D241-H508 IonicContact OD2-CD2 2.91Å
242	F	93	Very high	92.5	Very high	15 Å²	15	33.2 Å²	33.2	7%	0.066	20%	0.2	C	C	.	.	S	Bend	trans	-96.5	143.9	165.7	-69.3	-65.4	0	0	0	110.4	R239 A240 V245 S493 I496 W497 N504	R239-F242 PolarHBondContact O-N 2.68Å; R239-F242 VanDerWaalsContact O-N 3.08Å; A240-F242 VanDerWaalsContact C-N 3.27Å; A240-F242 PolarHBondContact O-N 3.25Å; F242-V245 HydrophobicContact CB-CB 4.31Å; F242-V245 HydrophobicContact CB-CG1 3.62Å; F242-V245 HydrophobicContact CB-CG2 3.69Å; F242-V245 HydrophobicContact CG-CG1 4.16Å; F242-S493 VanDerWaalsContact CE1-O 3.3Å; F242-S493 WeakPolarHBondContact CE1-O 3.48Å; F242-I496 HydrophobicContact CE1-CG1 4.05Å; F242-I496 HydrophobicContact CZ-CD1 4.26Å; F242-I496 HydrophobicContact CZ-CG1 4.14Å; F242-W497 HydrophobicContact CD1-CB 4.5Å; F242-W497 AromaticContact CD1-CD1 3.96Å; F242-W497 HydrophobicContact CE1-CB 4.44Å; F242-N504 HydrophobicContact CD2-CB 4.14Å; F242-N504 HydrophobicContact CE2-CB 3.44Å; F242-N504 VanDerWaalsContact CE2-CB 3.44Å; F242-N504 HydrophobicContact CZ-CB 3.78Å
243	S	86.6	Confident	92.4	Very high	83 Å²	83	33.1 Å²	33.1	58%	0.58	20%	0.2	S	C	*	.	S	Bend	trans	-88.7	148.6	165.8	52.5	0	0	0	0	111	V245 W497	S243-V245 PolarHBondContact O-N 3.02Å; S243-W497 PolarHBondContact O-NE1 3.37Å
244	N	84.2	Confident	92.4	Very high	155 Å²	155	32.6 Å²	32.6	83%	0.829	20%	0.197	S	C	*	.	S	Bend	trans	56.5	38.9	169.7	-56.1	-24.9	0	0	0	115.4
245	V	84.6	Confident	92.4	Very high	31 Å²	31	32.2 Å²	32.2	19%	0.188	20%	0.195	C	C	.	.			trans	-111.2	157.1	176.9	-64.8	0	0	0	0	112.1	R239 F242 S243 W497 N498	R239-V245 HydrophobicContact CG-CG2 3.65Å; F242-V245 HydrophobicContact CB-CB 4.31Å; F242-V245 HydrophobicContact CB-CG1 3.62Å; F242-V245 HydrophobicContact CB-CG2 3.69Å; F242-V245 HydrophobicContact CG-CG1 4.16Å; S243-V245 PolarHBondContact O-N 3.02Å; V245-W497 HydrophobicContact CG1-CZ2 4.26Å; V245-N498 VanDerWaalsContact CG1-O 3.28Å; V245-N498 WeakPolarHBondContact CG1-O 3.24Å
246	R	79	Confident	92.5	Very high	94 Å²	94	32.1 Å²	32.1	36%	0.355	19%	0.194	S	C	.	.			trans	-101.6	134.1	-179.5	-60.4	-179.4	-178.3	-161.6	-7.2	112	V89 P91 S499 R500	V89-R246 PolarHBondContact O-NH1 3.49Å; P91-R246 HydrophobicContact CG-CB 4.01Å; R246-S499 PolarHBondContact N-O 3.39Å; R246-R500 PolarHBondContact O-NH1 2.82Å
247	G	83.2	Confident	92.5	Very high	44 Å²	44	32.1 Å²	32.1	45%	0.454	19%	0.194	S	C	.	.	S	Bend	trans	136.8	-179.4	172.5	0	0	0	0	0	112.8	S249	G247-S249 PolarHBondContact O-N 3.42Å
248	L	85.6	Confident	92.5	Very high	23 Å²	23	32 Å²	32	12%	0.12	19%	0.193	C	C	.	.			trans	-60.5	126.6	176.8	-65.4	169.6	0	0	0	110.4	F113 K159 N165 R239 W250	F113-L248 HydrophobicContact CB-CD2 4.08Å; K159-L248 HydrophobicContact CB-CD2 4.15Å; N165-L248 HydrophobicContact CB-CD1 3.57Å; N165-L248 VanDerWaalsContact CG-CD1 3.43Å; N165-L248 WeakPolarHBondContact OD1-CD1 3.31Å; R239-L248 WeakPolarHBondContact CD-O 3.36Å; R239-L248 PolarHBondContact NH1-O 2.76Å; L248-W250 HydrophobicContact CB-CD2 4.34Å; L248-W250 HydrophobicContact CB-CZ2 4.11Å; L248-W250 HydrophobicContact CD1-CH2 4.26Å; L248-W250 HydrophobicContact CD1-CZ2 3.46Å; L248-W250 VanDerWaalsContact CD1-CZ2 3.46Å; L248-W250 HydrophobicContact CG-CZ2 4.44Å; L248-W250 PolarHBondContact O-N 3.41Å
249	S	89.8	Confident	92.6	Very high	70 Å²	70	33.3 Å²	33.3	49%	0.49	20%	0.201	S	C	.	.			trans	-76.5	72.8	-178	-167.4	0	0	0	0	111.3	K159 G247	K159-S249 VanDerWaalsContact CE-O 3.23Å; K159-S249 WeakPolarHBondContact CE-O 3.28Å; K159-S249 PolarHBondContact NZ-O 3.37Å; G247-S249 PolarHBondContact O-N 3.42Å
250	W	93.9	Very high	92.7	Very high	4 Å²	4	32.8 Å²	32.8	2%	0.015	20%	0.199	C	C	.	.			trans	-70.4	133.9	174.8	-57	114.3	0	0	0	110.4	K159 N165 E167 R187 G236 R238 R239 A240 L248 A254	K159-W250 HydrophobicContact CB-CZ3 4.48Å; K159-W250 HydrophobicContact CG-CE3 3.78Å; K159-W250 HydrophobicContact CG-CH2 4.31Å; K159-W250 HydrophobicContact CG-CZ3 3.66Å; N165-W250 HydrophobicContact CB-CH2 3.69Å; N165-W250 HydrophobicContact CB-CZ2 4.06Å; E167-W250 HydrophobicContact CB-CE3 3.79Å; E167-W250 HydrophobicContact CB-CZ3 3.84Å; E167-W250 HydrophobicContact CG-CE3 4.3Å; R187-W250 HydrophobicContact CG-CZ2 4.09Å; G236-W250 WeakPolarHBondContact O-CB 3.23Å; R238-W250 CarbonylContact C-O 3.57Å; R239-W250 PolarHBondContact N-O 3.38Å; R239-W250 VanDerWaalsContact N-O 3.15Å; A240-W250 VanDerWaalsContact CB-O 3.25Å; A240-W250 WeakPolarHBondContact CB-O 3.48Å; A240-W250 PolarHBondContact N-O 3.12Å; L248-W250 HydrophobicContact CB-CD2 4.34Å; L248-W250 HydrophobicContact CB-CZ2 4.11Å; L248-W250 HydrophobicContact CD1-CH2 4.26Å; L248-W250 HydrophobicContact CD1-CZ2 3.46Å; L248-W250 VanDerWaalsContact CD1-CZ2 3.46Å; L248-W250 HydrophobicContact CG-CZ2 4.44Å; L248-W250 PolarHBondContact O-N 3.41Å; W250-A254 HydrophobicContact CB-CB 3.98Å; W250-A254 HydrophobicContact CD2-CB 3.8Å; W250-A254 HydrophobicContact CE3-CB 3.92Å; W250-A254 HydrophobicContact CG-CB 3.85Å
251	T	94.3	Very high	92.9	Very high	45 Å²	45	31.3 Å²	31.3	28%	0.276	19%	0.186	S	C	.	.			trans	-84.4	-144.4	167.3	67.4	0	0	0	0	108.6	E167 N237 R238 A240 G253	E167-T251 WeakPolarHBondContact OE1-CB 3.24Å; E167-T251 WeakPolarHBondContact OE1-CG2 3.33Å; E167-T251 PolarHBondContact OE1-N 2.64Å; E167-T251 PolarHBondContact OE1-OG1 3.35Å; E167-T251 PolarHBondContact OE2-N 3.46Å; E167-T251 PolarHBondContact OE2-OG1 3.37Å; N237-T251 PolarHBondContact OD1-O 3.19Å; R238-T251 VanDerWaalsContact CA-O 3.26Å; R238-T251 WeakPolarHBondContact CA-O 3.4Å; R238-T251 PolarHBondContact N-O 2.82Å; A240-T251 HydrophobicContact CB-CG2 4.48Å; T251-G253 PolarHBondContact O-N 3.16Å
252	A	96.5	Very high	93.1	Very high	2 Å²	2	28.7 Å²	28.7	2%	0.017	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	8.3	177.1	0	0	0	0	0	114	P170 L173 R238 A394 Y416	P170-A252 HydrophobicContact CG-CB 4.47Å; L173-A252 WeakPolarHBondContact CD1-O 3.42Å; R238-A252 HydrophobicContact CG-CB 4.23Å; A252-A394 HydrophobicContact CB-CB 3.64Å; A252-Y416 HydrophobicContact CB-CE1 4.47Å; A252-Y416 WeakPolarHBondContact O-CE1 3.43Å; A252-Y416 PolarHBondContact O-OH 3.05Å
253	G	97.5	Very high	93.4	Very high	0 Å²	0	28 Å²	28	0%	0	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-2.4	-168.2	0	0	0	0	0	116.6	E167 T168 Y185 T251 I255	E167-G253 WeakPolarHBondContact CB-O 3.46Å; E167-G253 PolarHBondContact OE2-N 2.83Å; T168-G253 PolarHBondContact N-O 3.22Å; T168-G253 VanDerWaalsContact O-CA 3.23Å; T168-G253 WeakPolarHBondContact O-CA 3.45Å; Y185-G253 WeakPolarHBondContact CB-O 3.4Å; T251-G253 PolarHBondContact O-N 3.16Å; G253-I255 PolarHBondContact O-N 3.12Å
254	A	98.6	Very high	94	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.	S	Bend	trans	-87.5	47.3	-177.4	0	0	0	0	0	112	Y185 C234 N237 W250	Y185-A254 HydrophobicContact CD2-CB 4.46Å; C234-A254 HydrophobicContact CB-CB 3.88Å; C234-A254 PolarHBondContact N-O 3.14Å; N237-A254 HydrophobicContact CB-CB 4.05Å; N237-A254 PolarHBondContact OD1-N 3.28Å; W250-A254 HydrophobicContact CB-CB 3.98Å; W250-A254 HydrophobicContact CD2-CB 3.8Å; W250-A254 HydrophobicContact CE3-CB 3.92Å; W250-A254 HydrophobicContact CG-CB 3.85Å
255	I	98.8	Very high	94.7	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	149.7	-178.8	-173.1	168.2	0	0	0	109	L173 Y185 T231 L232 Q233 G253 Y416 W457	L173-I255 HydrophobicContact CD1-CG2 3.79Å; L173-I255 WeakPolarHBondContact CD2-O 3.48Å; Y185-I255 VanDerWaalsContact CD1-C 3.49Å; T231-I255 HydrophobicContact CG2-CD1 3.66Å; T231-I255 HydrophobicContact CG2-CG1 3.47Å; T231-I255 VanDerWaalsContact CG2-CG1 3.47Å; L232-I255 CarbonylContact O-C 3.52Å; L232-I255 VanDerWaalsContact O-CA 3.29Å; L232-I255 WeakPolarHBondContact O-CA 3.36Å; Q233-I255 HydrophobicContact CB-CB 4.32Å; Q233-I255 HydrophobicContact CB-CD1 4Å; Q233-I255 HydrophobicContact CB-CG1 3.93Å; Q233-I255 HydrophobicContact CG-CB 4.26Å; Q233-I255 HydrophobicContact CG-CD1 4.13Å; Q233-I255 HydrophobicContact CG-CG1 4.27Å; G253-I255 PolarHBondContact O-N 3.12Å; I255-Y416 HydrophobicContact CD1-CD2 4.23Å; I255-Y416 HydrophobicContact CD1-CE2 3.95Å; I255-Y416 HydrophobicContact CG2-CD1 4.5Å; I255-Y416 HydrophobicContact CG2-CE1 3.82Å; I255-Y416 HydrophobicContact CG2-CE2 4.15Å; I255-W457 HydrophobicContact CD1-CE3 4.31Å; I255-W457 HydrophobicContact CG1-CE3 4.28Å; I255-W457 HydrophobicContact CG1-CZ3 4.42Å; I255-W457 HydrophobicContact CG2-CZ3 4.28Å
256	G	98.4	Very high	95.3	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	154.6	173.3	0	0	0	0	0	112	F184 T231 L232	F184-G256 WeakPolarHBondContact CZ-O 3.43Å; T231-G256 CarbonylContact C-O 3.57Å; T231-G256 WeakPolarHBondContact CA-O 3.47Å; L232-G256 PolarHBondContact N-O 3.03Å; L232-G256 PolarHBondContact O-N 3.23Å
257	N	98.4	Very high	96.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.4	-177.8	-173.7	58.4	0	0	0	110.8	F177 Y178 T179 V229 A230 T231 W457	F177-N257 WeakPolarHBondContact O-CB 3.42Å; F177-N257 PolarHBondContact O-ND2 2.91Å; Y178-N257 CarbonylContact C-O 3.56Å; Y178-N257 WeakPolarHBondContact CA-O 3.45Å; T179-N257 PolarHBondContact N-O 3.02Å; T179-N257 PolarHBondContact OG1-N 3.11Å; T179-N257 VanDerWaalsContact OG1-N 3.09Å; V229-N257 WeakPolarHBondContact CG1-ND2 3.39Å; A230-N257 VanDerWaalsContact C-OD1 3.29Å; A230-N257 PolarHBondContact O-OD1 3.24Å; T231-N257 PolarHBondContact N-OD1 3.17Å; T231-N257 WeakPolarHBondContact OG1-CB 3.41Å; T231-N257 PolarHBondContact OG1-OD1 3.18Å; N257-W457 HydrophobicContact CB-CD2 3.7Å; N257-W457 HydrophobicContact CB-CE3 4.44Å; N257-W457 HydrophobicContact CB-CG 3.94Å; N257-W457 HydrophobicContact CB-CH2 4.42Å; N257-W457 HydrophobicContact CB-CZ2 3.67Å; N257-W457 PolarHBondContact ND2-NE1 3.36Å
258	A	98.6	Very high	96.9	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	161	-177.3	0	0	0	0	0	110.9	F184 V229 A230 W260 M318 N319	F184-A258 HydrophobicContact CD2-CB 4.35Å; F184-A258 HydrophobicContact CE2-CB 3.91Å; V229-A258 WeakPolarHBondContact CA-O 3.21Å; A230-A258 PolarHBondContact N-O 2.88Å; A230-A258 VanDerWaalsContact N-O 3.11Å; A230-A258 PolarHBondContact O-N 3.31Å; A258-W260 HydrophobicContact CB-CZ2 3.97Å; A258-W260 VanDerWaalsContact O-CD1 3.3Å; A258-W260 PolarHBondContact O-NE1 2.86Å; A258-M318 HydrophobicContact CB-CE 3.96Å; A258-M318 HydrophobicContact CB-CG 4.05Å; A258-N319 VanDerWaalsContact CA-OD1 3.3Å; A258-N319 WeakPolarHBondContact CA-OD1 3.4Å; A258-N319 WeakPolarHBondContact CB-OD1 3.39Å
259	T	98.6	Very high	97.4	Very high	27 Å²	27	10.9 Å²	10.9	17%	0.166	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	137.3	158.8	71.1	0	0	0	0	108.9	Y178 I228 V229 M318 N319	Y178-T259 HydrophobicContact CD1-CG2 3.92Å; Y178-T259 HydrophobicContact CE1-CG2 3.53Å; I228-T259 CarbonylContact O-C 3.55Å; I228-T259 VanDerWaalsContact O-CA 3.31Å; I228-T259 WeakPolarHBondContact O-CA 3.46Å; V229-T259 HydrophobicContact CG2-CG2 4.25Å; T259-M318 CarbonylContact O-C 3.56Å; T259-M318 VanDerWaalsContact O-CA 3.3Å; T259-M318 WeakPolarHBondContact O-CA 3.25Å; T259-N319 PolarHBondContact N-OD1 3.21Å; T259-N319 PolarHBondContact O-N 3.23Å; T259-N319 WeakPolarHBondContact OG1-CA 3.4Å; T259-N319 PolarHBondContact OG1-N 3.21Å
260	W	98.8	Very high	97.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.063	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126	176.9	-56.8	95.5	0	0	0	108.3	F184 T227 I228 A230 L232 A258 L313 A315 M318 L323 I334	F184-W260 HydrophobicContact CE2-CZ2 4.16Å; F184-W260 HydrophobicContact CZ-CH2 4.38Å; F184-W260 AromaticContact CZ-CZ2 3.88Å; F184-W260 HydrophobicContact CZ-CZ2 3.88Å; T227-W260 CarbonylContact C-O 3.56Å; T227-W260 VanDerWaalsContact CA-O 3.3Å; T227-W260 WeakPolarHBondContact CA-O 3.32Å; I228-W260 HydrophobicContact CG1-CB 4.25Å; I228-W260 PolarHBondContact N-O 3.02Å; I228-W260 PolarHBondContact O-N 3.46Å; A230-W260 PolarHBondContact O-NE1 3.15Å; L232-W260 HydrophobicContact CD1-CH2 3.89Å; L232-W260 HydrophobicContact CD1-CZ2 3.54Å; L232-W260 HydrophobicContact CG-CZ2 3.96Å; A258-W260 HydrophobicContact CB-CZ2 3.97Å; A258-W260 VanDerWaalsContact O-CD1 3.3Å; A258-W260 PolarHBondContact O-NE1 2.86Å; W260-L313 HydrophobicContact CB-CD1 4.31Å; W260-A315 HydrophobicContact CB-CB 4.34Å; W260-A315 HydrophobicContact CE3-CB 4.33Å; W260-M318 HydrophobicContact CE3-CB 4.02Å; W260-M318 HydrophobicContact CE3-CG 4.03Å; W260-M318 HydrophobicContact CE3-SD 4.49Å; W260-M318 HydrophobicContact CH2-CE 3.77Å; W260-M318 HydrophobicContact CH2-CG 3.92Å; W260-M318 HydrophobicContact CH2-SD 3.48Å; W260-M318 WeakPolarHBondContact CH2-SD 3.37Å; W260-M318 HydrophobicContact CZ2-CE 4.24Å; W260-M318 HydrophobicContact CZ2-SD 4.42Å; W260-M318 HydrophobicContact CZ3-CB 3.85Å; W260-M318 HydrophobicContact CZ3-CE 4.38Å; W260-M318 HydrophobicContact CZ3-CG 3.62Å; W260-M318 HydrophobicContact CZ3-SD 3.52Å; W260-M318 VanDerWaalsContact CZ3-SD 3.52Å; W260-L323 HydrophobicContact CE3-CD2 4.4Å; W260-L323 HydrophobicContact CZ3-CD2 3.89Å; W260-I334 HydrophobicContact CB-CG1 4.16Å; W260-I334 HydrophobicContact CD2-CD1 3.49Å; W260-I334 VanDerWaalsContact CD2-CD1 3.49Å; W260-I334 HydrophobicContact CD2-CG1 3.73Å; W260-I334 HydrophobicContact CE3-CD1 3.51Å; W260-I334 HydrophobicContact CE3-CG1 3.81Å; W260-I334 HydrophobicContact CG-CD1 4.11Å; W260-I334 HydrophobicContact CG-CG1 3.91Å; W260-I334 HydrophobicContact CG-CG2 4.21Å; W260-I334 HydrophobicContact CH2-CD1 3.95Å; W260-I334 HydrophobicContact CZ2-CD1 3.93Å; W260-I334 HydrophobicContact CZ3-CD1 3.75Å; W260-I334 HydrophobicContact CZ3-CG1 4.48Å
261	T	98.9	Very high	97.8	Very high	10 Å²	10	17.3 Å²	17.3	6%	0.061	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	132.8	-178.8	-55.3	0	0	0	0	109.8	E225 V226 T227 A315 Y316 S317	E225-T261 HydrophobicContact CG-CG2 3.38Å; V226-T261 WeakPolarHBondContact O-CA 3.2Å; T227-T261 WeakPolarHBondContact CG2-OG1 3.46Å; T227-T261 WeakPolarHBondContact OG1-CB 3.45Å; T227-T261 VanDerWaalsContact OG1-CG2 3.31Å; T227-T261 WeakPolarHBondContact OG1-CG2 3.25Å; T227-T261 PolarHBondContact OG1-OG1 3.12Å; T261-A315 WeakPolarHBondContact O-CA 3.32Å; T261-Y316 HydrophobicContact CG2-CE2 4.22Å; T261-Y316 PolarHBondContact O-N 3.39Å; T261-S317 PolarHBondContact N-O 3.27Å; T261-S317 PolarHBondContact O-N 3.44Å
262	G	98.8	Very high	97.9	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-175.8	-155.5	-172.2	0	0	0	0	0	112.7	E225 V226 L314	E225-G262 WeakPolarHBondContact CA-O 3.4Å; V226-G262 PolarHBondContact N-O 3.41Å; V226-G262 PolarHBondContact O-N 3.29Å; G262-L314 WeakPolarHBondContact CA-O 3.31Å
263	V	98.7	Very high	97.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	149.4	174.2	-57.5	0	0	0	0	109.8	F223 L265 L313 L314 Y316	F223-V263 HydrophobicContact CB-CB 3.8Å; F223-V263 HydrophobicContact CB-CG1 3.59Å; F223-V263 HydrophobicContact CG-CB 4.43Å; F223-V263 HydrophobicContact CG-CG1 4.44Å; V263-L265 PolarHBondContact O-N 3.45Å; V263-L313 WeakPolarHBondContact O-CA 3.41Å; V263-L314 HydrophobicContact CG2-CB 3.89Å; V263-L314 HydrophobicContact CG2-CD1 4.28Å; V263-L314 HydrophobicContact CG2-CG 4.45Å; V263-L314 PolarHBondContact N-O 2.8Å; V263-L314 VanDerWaalsContact N-O 3.13Å; V263-L314 PolarHBondContact O-N 3.25Å; V263-Y316 HydrophobicContact CG1-CE1 4.2Å
264	L	98.6	Very high	97.7	Very high	21 Å²	21	16.2 Å²	16.2	11%	0.11	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	131.6	174.6	-70.4	171.6	0	0	0	110.3	V226 S266 D267 L268 L313	V226-L264 HydrophobicContact CB-CG 4.43Å; V226-L264 HydrophobicContact CG1-CD2 4.42Å; V226-L264 HydrophobicContact CG2-CD1 4.15Å; V226-L264 HydrophobicContact CG2-CG 3.93Å; L264-S266 PolarHBondContact O-N 3.08Å; L264-D267 HydrophobicContact CB-CB 4.44Å; L264-D267 PolarHBondContact O-N 2.95Å; L264-L268 PolarHBondContact O-N 2.85Å; L264-L313 HydrophobicContact CD2-CD2 3.84Å; L264-L313 HydrophobicContact CG-CD2 4.37Å
265	L	98.6	Very high	97	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-59.6	-39.9	175.3	176.4	60.2	0	0	0	110.8	V263 D267 L268 L269 F284 I300 A305 V312 L314 I350	V263-L265 PolarHBondContact O-N 3.45Å; L265-D267 VanDerWaalsContact C-N 3.3Å; L265-D267 PolarHBondContact O-N 2.83Å; L265-L268 HydrophobicContact CD1-CD2 4.33Å; L265-L268 PolarHBondContact O-N 3.36Å; L265-L269 HydrophobicContact CD1-CD1 4.04Å; L265-L269 HydrophobicContact CD1-CD2 4.13Å; L265-L269 HydrophobicContact CD1-CG 3.81Å; L265-L269 HydrophobicContact CD2-CD1 4.34Å; L265-L269 HydrophobicContact CG-CD1 3.81Å; L265-L269 HydrophobicContact CG-CG 4.04Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.45Å; L265-L269 PolarHBondContact O-N 3.13Å; L265-F284 HydrophobicContact CD1-CE1 4.46Å; L265-F284 HydrophobicContact CD2-CE1 3.79Å; L265-F284 HydrophobicContact CD2-CZ 3.68Å; L265-I300 HydrophobicContact CD2-CD1 4.4Å; L265-A305 HydrophobicContact CD2-CB 3.72Å; L265-A305 HydrophobicContact CG-CB 4.4Å; L265-V312 HydrophobicContact CB-CB 4.11Å; L265-V312 HydrophobicContact CB-CG1 3.95Å; L265-V312 WeakPolarHBondContact CB-O 3.41Å; L265-V312 HydrophobicContact CD2-CB 4.28Å; L265-V312 HydrophobicContact CD2-CG1 3.58Å; L265-V312 HydrophobicContact CG-CG1 4.42Å; L265-V312 PolarHBondContact N-O 3.02Å; L265-L314 HydrophobicContact CD1-CD1 4.28Å; L265-L314 HydrophobicContact CD1-CD2 4.16Å; L265-L314 HydrophobicContact CD1-CG 4.32Å; L265-I350 HydrophobicContact CD1-CD1 3.9Å
266	S	97.6	Very high	96	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.021	14%	0.14	C	C	.	.	H	α-helix	trans	-58.5	-39.4	-179.9	57.5	0	0	0	0	112.8	L264 L269 R270 A305 M306	L264-S266 PolarHBondContact O-N 3.08Å; S266-L269 PolarHBondContact O-N 3.35Å; S266-R270 VanDerWaalsContact O-CG 3.28Å; S266-R270 WeakPolarHBondContact O-CG 3.39Å; S266-R270 PolarHBondContact O-N 2.9Å; S266-R270 PolarHBondContact OG-NH1 3.31Å; S266-A305 WeakPolarHBondContact CA-O 3.25Å; S266-A305 WeakPolarHBondContact CB-O 3.32Å; S266-A305 PolarHBondContact N-O 3.18Å; S266-M306 WeakPolarHBondContact CB-O 3.29Å
267	D	97.7	Very high	94.8	Very high	47 Å²	47	31.6 Å²	31.6	25%	0.251	16%	0.155	S	C	.	.	H	α-helix	trans	-70.8	-40.7	179	-65.4	-24	0	0	0	112.1	F223 L264 L265 R270 H271	F223-D267 HydrophobicContact CD1-CB 4.07Å; L264-D267 HydrophobicContact CB-CB 4.44Å; L264-D267 PolarHBondContact O-N 2.95Å; L265-D267 VanDerWaalsContact C-N 3.3Å; L265-D267 PolarHBondContact O-N 2.83Å; D267-R270 IonicContact OD1-NH1 3.38Å; D267-R270 PolarHBondContact OD1-NH1 3.27Å; D267-H271 WeakPolarHBondContact O-CB 3.38Å; D267-H271 PolarHBondContact O-N 3.09Å
268	L	97.8	Very high	94	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64	-42.6	174.2	174.3	142.6	0	0	0	111.8	L202 V204 F214 L219 F223 L264 L265 H271 A272 L314 I350	L202-L268 HydrophobicContact CD2-CD1 3.95Å; V204-L268 HydrophobicContact CB-CD2 4.48Å; V204-L268 HydrophobicContact CG1-CD2 3.91Å; V204-L268 HydrophobicContact CG2-CD1 4.39Å; V204-L268 HydrophobicContact CG2-CD2 3.77Å; V204-L268 HydrophobicContact CG2-CG 4.45Å; F214-L268 HydrophobicContact CD2-CD1 4.13Å; F214-L268 HydrophobicContact CE2-CD1 4.09Å; F214-L268 HydrophobicContact CE2-CG 4.33Å; L219-L268 HydrophobicContact CD2-CD1 3.39Å; F223-L268 HydrophobicContact CE1-CB 4.25Å; F223-L268 HydrophobicContact CE2-CB 4.44Å; F223-L268 HydrophobicContact CE2-CD1 4.27Å; F223-L268 HydrophobicContact CZ-CB 4.07Å; F223-L268 HydrophobicContact CZ-CD1 4.49Å; F223-L268 HydrophobicContact CZ-CG 4.34Å; L264-L268 PolarHBondContact O-N 2.85Å; L265-L268 HydrophobicContact CD1-CD2 4.33Å; L265-L268 PolarHBondContact O-N 3.36Å; L268-H271 PolarHBondContact O-N 3.47Å; L268-A272 WeakPolarHBondContact O-CB 3.41Å; L268-A272 PolarHBondContact O-N 3.06Å; L268-L314 HydrophobicContact CD1-CD1 3.73Å; L268-L314 HydrophobicContact CD2-CD1 4.29Å; L268-L314 HydrophobicContact CG-CD1 4.4Å; L268-I350 HydrophobicContact CD2-CD1 4.17Å
269	L	97.5	Very high	93.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-43.3	178.2	-68.8	-179	0	0	0	111.7	V204 L265 S266 H271 A272 G273 V274 V282 L302 A305 M306 I350 I352	V204-L269 HydrophobicContact CG1-CD2 4.34Å; L265-L269 HydrophobicContact CD1-CD1 4.04Å; L265-L269 HydrophobicContact CD1-CD2 4.13Å; L265-L269 HydrophobicContact CD1-CG 3.81Å; L265-L269 HydrophobicContact CD2-CD1 4.34Å; L265-L269 HydrophobicContact CG-CD1 3.81Å; L265-L269 HydrophobicContact CG-CG 4.04Å; L265-L269 VanDerWaalsContact O-CG 3.3Å; L265-L269 WeakPolarHBondContact O-CG 3.45Å; L265-L269 PolarHBondContact O-N 3.13Å; S266-L269 PolarHBondContact O-N 3.35Å; L269-H271 VanDerWaalsContact C-N 3.3Å; L269-H271 PolarHBondContact O-N 3.42Å; L269-A272 PolarHBondContact O-N 3.29Å; L269-G273 PolarHBondContact O-N 3.2Å; L269-V274 HydrophobicContact CB-CB 4.18Å; L269-V274 HydrophobicContact CB-CG2 4.13Å; L269-V274 HydrophobicContact CD2-CG2 4.24Å; L269-V274 WeakPolarHBondContact O-CB 3.43Å; L269-V274 WeakPolarHBondContact O-CG2 3.4Å; L269-V274 PolarHBondContact O-N 3.09Å; L269-V282 HydrophobicContact CD1-CG2 3.89Å; L269-L302 HydrophobicContact CD1-CD1 4.14Å; L269-A305 HydrophobicContact CD1-CB 3.99Å; L269-M306 HydrophobicContact CB-SD 3.53Å; L269-M306 VanDerWaalsContact CB-SD 3.53Å; L269-M306 HydrophobicContact CD1-CG 4.42Å; L269-M306 HydrophobicContact CD1-SD 3.79Å; L269-M306 HydrophobicContact CG-SD 4.32Å; L269-I350 HydrophobicContact CD2-CG2 4.13Å; L269-I352 HydrophobicContact CD1-CD1 4.45Å; L269-I352 HydrophobicContact CD2-CD1 3.96Å
270	R	95.9	Very high	93	Very high	109 Å²	109	44.8 Å²	44.8	41%	0.411	22%	0.222	S	C	.	.	H	α-helix	trans	-58.2	-43.8	172.5	-73.5	177.7	-166.1	109.4	9.1	111.5	S266 D267 A272 G273 M306	S266-R270 VanDerWaalsContact O-CG 3.28Å; S266-R270 WeakPolarHBondContact O-CG 3.39Å; S266-R270 PolarHBondContact O-N 2.9Å; S266-R270 PolarHBondContact OG-NH1 3.31Å; D267-R270 IonicContact OD1-NH1 3.38Å; D267-R270 PolarHBondContact OD1-NH1 3.27Å; R270-A272 VanDerWaalsContact C-N 3.31Å; R270-A272 PolarHBondContact O-N 3.26Å; R270-G273 PolarHBondContact O-N 2.91Å; R270-M306 HydrophobicContact CG-CE 3.75Å; R270-M306 PolarHBondContact NH2-O 3.34Å
271	H	95.6	Very high	93	Very high	99 Å²	99	46.4 Å²	46.4	46%	0.458	23%	0.229	S	C	.	.	H	α-helix	trans	-64.1	-36.3	177.2	-173.8	94.1	0	0	0	112.6	F214 F223 D267 L268 L269 G273	F214-H271 AromaticContact CZ-CD2 3.74Å; F223-H271 HydrophobicContact CE1-CB 3.71Å; F223-H271 HydrophobicContact CZ-CB 3.89Å; F223-H271 AromaticContact CZ-CG 3.93Å; D267-H271 WeakPolarHBondContact O-CB 3.38Å; D267-H271 PolarHBondContact O-N 3.09Å; L268-H271 PolarHBondContact O-N 3.47Å; L269-H271 VanDerWaalsContact C-N 3.3Å; L269-H271 PolarHBondContact O-N 3.42Å; H271-G273 PolarHBondContact O-N 2.94Å
272	A	95.9	Very high	92.9	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.033	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-2.5	174.5	0	0	0	0	0	113.4	V204 N206 L268 L269 R270	V204-A272 HydrophobicContact CB-CB 4.47Å; V204-A272 HydrophobicContact CG1-CB 3.73Å; N206-A272 PolarHBondContact ND2-O 2.91Å; N206-A272 VanDerWaalsContact ND2-O 3.16Å; L268-A272 WeakPolarHBondContact O-CB 3.41Å; L268-A272 PolarHBondContact O-N 3.06Å; L269-A272 PolarHBondContact O-N 3.29Å; R270-A272 VanDerWaalsContact C-N 3.31Å; R270-A272 PolarHBondContact O-N 3.26Å
273	G	95.2	Very high	92.9	Very high	18 Å²	18	46.6 Å²	46.6	19%	0.186	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	33.4	178.3	0	0	0	0	0	113.6	L269 R270 H271 H275	L269-G273 PolarHBondContact O-N 3.2Å; R270-G273 PolarHBondContact O-N 2.91Å; H271-G273 PolarHBondContact O-N 2.94Å; G273-H275 PolarHBondContact O-CD2 2.83Å; G273-H275 PolarHBondContact O-NE2 2.8Å
274	V	94.4	Very high	92.9	Very high	3 Å²	3	46.6 Å²	46.6	2%	0.018	23%	0.23	C	C	.	.			trans	-82.6	122.5	170.7	-178.9	0	0	0	0	109.7	N206 E207 L269 L302 M306 I352	N206-V274 HydrophobicContact CB-CG2 3.87Å; E207-V274 VanDerWaalsContact OE2-CA 3.29Å; E207-V274 WeakPolarHBondContact OE2-CA 3.43Å; L269-V274 HydrophobicContact CB-CB 4.18Å; L269-V274 HydrophobicContact CB-CG2 4.13Å; L269-V274 HydrophobicContact CD2-CG2 4.24Å; L269-V274 WeakPolarHBondContact O-CB 3.43Å; L269-V274 WeakPolarHBondContact O-CG2 3.4Å; L269-V274 PolarHBondContact O-N 3.09Å; V274-L302 HydrophobicContact CG1-CD1 4.21Å; V274-L302 HydrophobicContact CG1-CD2 4.35Å; V274-M306 HydrophobicContact CG1-SD 4.34Å; V274-I352 HydrophobicContact CG1-CD1 4.42Å; V274-I352 HydrophobicContact CG1-CG1 4.22Å; V274-I352 HydrophobicContact CG2-CD1 4.16Å; V274-I352 HydrophobicContact CG2-CG1 3.67Å
275	H	85.1	Confident	92.8	Very high	147 Å²	147	46.2 Å²	46.2	68%	0.681	23%	0.229	S	C	*	.			trans	-121	-40.5	-174.4	-61.5	-64.7	0	0	0	113	E207 G273	E207-H275 PolarHBondContact OE1-N 2.93Å; G273-H275 PolarHBondContact O-CD2 2.83Å; G273-H275 PolarHBondContact O-NE2 2.8Å
276	K	77	Confident	92.8	Very high	123 Å²	123	46.4 Å²	46.4	54%	0.535	23%	0.231	S	C	.	.			trans	-86.3	124.8	-178.3	-175	-178.8	176.8	-171.8	0	109.9	E207 L302	E207-K276 PolarHBondContact OE1-N 2.96Å; K276-L302 WeakPolarHBondContact O-CD2 3.3Å
277	T	73	Confident	92.7	Very high	52 Å²	52	49.8 Å²	49.8	32%	0.319	25%	0.248	S	C	.	.			trans	-108.2	-22.5	-179.2	57.6	0	0	0	0	114.2	M306	T277-M306 HydrophobicContact CG2-CB 3.9Å; T277-M306 HydrophobicContact CG2-CE 4.38Å; T277-M306 HydrophobicContact CG2-CG 3.79Å
278	E	81.1	Confident	92.4	Very high	146 Å²	146	47.8 Å²	47.8	68%	0.682	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.5	131.1	-172.7	-64.3	179.3	-176.7	0	0	112.5	G280	E278-G280 PolarHBondContact O-N 3.48Å
279	N	83	Confident	91.5	Very high	149 Å²	149	50.3 Å²	50.3	80%	0.797	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	12.5	177.5	-55.7	-44.3	0	0	0	115.4
280	G	94.7	Very high	90	Very high	9 Å²	9	52.4 Å²	52.4	9%	0.093	27%	0.266	C	S	.	.			trans	-88.1	166.6	177.5	0	0	0	0	0	112.8	E278 L302 S353	E278-G280 PolarHBondContact O-N 3.48Å; G280-L302 VanDerWaalsContact O-CB 3.24Å; G280-L302 WeakPolarHBondContact O-CB 3.47Å; G280-L302 PolarHBondContact O-N 3.16Å; G280-S353 CarbonylContact C-O 3.43Å; G280-S353 WeakPolarHBondContact CA-O 3.33Å
281	H	97.3	Very high	88.1	Confident	34 Å²	34	50.4 Å²	50.4	16%	0.157	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.8	173.9	-66.5	-89.8	0	0	0	110.5	I300 I352 S353 Q355 E356	H281-I300 WeakPolarHBondContact CA-O 3.24Å; H281-I352 WeakPolarHBondContact O-CA 3.23Å; H281-S353 PolarHBondContact N-O 3.44Å; H281-S353 PolarHBondContact O-N 3.34Å; H281-Q355 WeakPolarHBondContact CB-O 3.22Å; H281-E356 PolarHBondContact CD2-N 3.41Å; H281-E356 WeakPolarHBondContact CE1-CG 3.31Å
282	V	98.1	Very high	86.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	118.1	165	-172.3	0	0	0	0	108	L269 F284 S299 I300 L302 A305 I350 I352	L269-V282 HydrophobicContact CD1-CG2 3.89Å; V282-F284 HydrophobicContact CB-CE1 4.19Å; V282-F284 HydrophobicContact CB-CZ 4.03Å; V282-F284 HydrophobicContact CG1-CD1 3.97Å; V282-F284 HydrophobicContact CG1-CE1 3.33Å; V282-F284 HydrophobicContact CG1-CZ 3.68Å; V282-S299 WeakPolarHBondContact O-CA 3.07Å; V282-S299 VanDerWaalsContact O-CB 3.22Å; V282-S299 WeakPolarHBondContact O-CB 3.5Å; V282-I300 HydrophobicContact CB-CG1 4.34Å; V282-I300 PolarHBondContact N-O 2.77Å; V282-I300 PolarHBondContact O-N 2.86Å; V282-I300 VanDerWaalsContact O-N 3.13Å; V282-L302 HydrophobicContact CG2-CB 4.47Å; V282-L302 HydrophobicContact CG2-CD1 3.45Å; V282-L302 VanDerWaalsContact CG2-CD1 3.45Å; V282-A305 HydrophobicContact CB-CB 4.35Å; V282-A305 HydrophobicContact CG2-CB 3.43Å; V282-A305 VanDerWaalsContact CG2-CB 3.43Å; V282-I350 HydrophobicContact CG1-CG2 3.41Å; V282-I350 VanDerWaalsContact CG1-CG2 3.41Å; V282-I352 HydrophobicContact CB-CD1 4.45Å; V282-I352 HydrophobicContact CG1-CD1 4.34Å; V282-I352 HydrophobicContact CG2-CD1 3.79Å
283	V	97.9	Very high	84.5	Confident	14 Å²	14	58.1 Å²	58.1	9%	0.085	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.1	175.1	179.7	0	0	0	0	109	I350 C351 C357	V283-I350 CarbonylContact O-C 3.56Å; V283-I350 WeakPolarHBondContact O-CA 3.16Å; V283-C351 HydrophobicContact CB-CB 4.36Å; V283-C351 PolarHBondContact N-O 3.23Å; V283-C351 PolarHBondContact O-N 3.16Å; V283-C357 HydrophobicContact CB-CB 4.46Å; V283-C357 HydrophobicContact CG1-CB 3.79Å; V283-C357 HydrophobicContact CG2-CB 4.01Å
284	F	98.4	Very high	83.7	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.2	176.5	-51.7	-62.8	0	0	0	109.4	L265 V282 Q297 A298 I300 V333 V344 L347 I350	L265-F284 HydrophobicContact CD1-CE1 4.46Å; L265-F284 HydrophobicContact CD2-CE1 3.79Å; L265-F284 HydrophobicContact CD2-CZ 3.68Å; V282-F284 HydrophobicContact CB-CE1 4.19Å; V282-F284 HydrophobicContact CB-CZ 4.03Å; V282-F284 HydrophobicContact CG1-CD1 3.97Å; V282-F284 HydrophobicContact CG1-CE1 3.33Å; V282-F284 HydrophobicContact CG1-CZ 3.68Å; F284-Q297 WeakPolarHBondContact O-CA 3.37Å; F284-Q297 WeakPolarHBondContact O-CB 3.49Å; F284-A298 PolarHBondContact N-O 3.22Å; F284-A298 PolarHBondContact O-N 2.61Å; F284-I300 HydrophobicContact CE2-CB 4.49Å; F284-I300 HydrophobicContact CE2-CD1 3.92Å; F284-I300 HydrophobicContact CE2-CG1 3.74Å; F284-I300 HydrophobicContact CE2-CG2 4.19Å; F284-I300 HydrophobicContact CZ-CD1 3.78Å; F284-I300 HydrophobicContact CZ-CG1 3.88Å; F284-V333 HydrophobicContact CB-CG2 4.29Å; F284-V333 HydrophobicContact CD1-CG2 3.66Å; F284-V333 HydrophobicContact CD2-CG1 4.46Å; F284-V333 HydrophobicContact CD2-CG2 4.2Å; F284-V333 HydrophobicContact CE1-CG1 4.29Å; F284-V333 HydrophobicContact CE1-CG2 3.94Å; F284-V333 HydrophobicContact CE2-CG1 4.03Å; F284-V333 HydrophobicContact CE2-CG2 4.45Å; F284-V333 HydrophobicContact CG-CG2 3.79Å; F284-V333 HydrophobicContact CZ-CG1 3.95Å; F284-V333 HydrophobicContact CZ-CG2 4.33Å; F284-V344 HydrophobicContact CB-CB 3.85Å; F284-V344 HydrophobicContact CB-CG1 4.26Å; F284-V344 HydrophobicContact CB-CG2 3.64Å; F284-V344 HydrophobicContact CD2-CG2 4.4Å; F284-V344 HydrophobicContact CG-CG2 4.45Å; F284-L347 HydrophobicContact CB-CD1 3.82Å; F284-L347 HydrophobicContact CD1-CD1 4.27Å; F284-L347 HydrophobicContact CG-CD1 4.45Å; F284-I350 HydrophobicContact CD1-CG1 4.18Å; F284-I350 HydrophobicContact CD1-CG2 4.44Å; F284-I350 HydrophobicContact CE1-CG2 4.43Å
285	T	97.5	Very high	83.5	Confident	14 Å²	14	60.7 Å²	60.7	9%	0.086	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	124.3	175.1	-52.2	0	0	0	0	110.2	Q297 G348 L349	T285-Q297 HydrophobicContact CG2-CG 3.85Å; T285-Q297 PolarHBondContact OG1-NE2 3.35Å; T285-G348 PolarHBondContact O-N 3.17Å; T285-L349 PolarHBondContact N-O 2.91Å; T285-L349 PolarHBondContact O-N 2.87Å
286	G	97.4	Very high	83.9	Confident	4 Å²	4	54.3 Å²	54.3	4%	0.041	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	160.9	172	0	0	0	0	0	112.4	D288 G295 Y296 K345 W346	G286-D288 VanDerWaalsContact C-N 3.26Å; G286-G295 WeakPolarHBondContact O-CA 3.33Å; G286-Y296 PolarHBondContact N-O 3.2Å; G286-K345 WeakPolarHBondContact CA-O 3.43Å; G286-W346 CarbonylContact C-O 3.53Å; G286-W346 WeakPolarHBondContact CA-O 3.23Å
287	L	95.4	Very high	84.8	Confident	73 Å²	73	50.1 Å²	50.1	38%	0.382	28%	0.284	S	S	.	.	S	Bend	trans	-83.8	-1.2	175	-65.2	171.4	0	0	0	112.8	P193 V195 Y200 C289 W346	P193-L287 HydrophobicContact CG-CB 4.38Å; V195-L287 HydrophobicContact CG1-CD1 4.29Å; V195-L287 HydrophobicContact CG2-CD1 3.89Å; Y200-L287 HydrophobicContact CD2-CD1 4.22Å; Y200-L287 HydrophobicContact CE2-CD1 4.15Å; L287-C289 PolarHBondContact O-N 3.03Å; L287-W346 HydrophobicContact CB-CB 4.14Å; L287-W346 WeakPolarHBondContact CB-O 3.37Å; L287-W346 VanDerWaalsContact CG-O 3.23Å; L287-W346 WeakPolarHBondContact CG-O 3.26Å; L287-W346 PolarHBondContact N-O 3.41Å
288	D	92	Very high	86	Confident	5 Å²	5	47.7 Å²	47.7	3%	0.027	27%	0.269	C	S	.	.			trans	-81.3	88.9	179.7	63.5	-48	0	0	0	110.6	H190 P193 G286 G295 Y296 W346	H190-D288 HydrophobicContact CB-CB 4.18Å; H190-D288 IonicContact CE1-OD2 2.7Å; H190-D288 IonicContact CG-OD2 3.88Å; H190-D288 PolarHBondContact ND1-O 2.89Å; H190-D288 IonicContact ND1-OD2 2.88Å; H190-D288 PolarHBondContact ND1-OD2 3.26Å; P193-D288 HydrophobicContact CG-CB 4.31Å; G286-D288 VanDerWaalsContact C-N 3.26Å; D288-G295 WeakPolarHBondContact O-CA 3.43Å; D288-Y296 PolarHBondContact O-N 3.3Å; D288-Y296 WeakPolarHBondContact OD1-CB 3.42Å; D288-Y296 PolarHBondContact OD1-N 3.13Å; D288-Y296 VanDerWaalsContact OD1-N 3.16Å; D288-Y296 VanDerWaalsContact OD2-CB 3.31Å; D288-Y296 WeakPolarHBondContact OD2-CB 3.24Å; D288-W346 HydrophobicContact CB-CD2 4.49Å; D288-W346 HydrophobicContact CB-CE3 3.62Å; D288-W346 HydrophobicContact CB-CZ3 3.76Å
289	C	79.1	Confident	86.8	Confident	53 Å²	53	40.7 Å²	40.7	36%	0.358	24%	0.236	S	C	.	.			trans	-107.7	154	176.7	66	0	0	0	0	112.7	K191 L287 D293	K191-C289 WeakPolarHBondContact CE-O 3.17Å; L287-C289 PolarHBondContact O-N 3.03Å; C289-D293 WeakPolarHBondContact CB-O 3.4Å
290	D	65.2	Low	87.6	Confident	45 Å²	45	33.6 Å²	33.6	24%	0.241	20%	0.198	C	C	.	.			trans	-94.8	10	176	68.9	-9.2	0	0	0	113.1	Q98 K292 D293	Q98-D290 PolarHBondContact NE2-OD2 2.8Å; D290-K292 PolarHBondContact OD1-N 3.27Å; D290-D293 PolarHBondContact OD1-N 2.86Å
291	G	57.8	Low	87.7	Confident	67 Å²	67	35.5 Å²	35.5	69%	0.691	21%	0.209	S	C	*	.	S	Bend	trans	93.1	-7.2	177	0	0	0	0	0	115.3
292	K	54.5	Low	87.7	Confident	170 Å²	170	34 Å²	34	74%	0.739	20%	0.202	S	C	*	.	S	Bend	trans	-123.4	-35.6	177.5	-68	-176.5	-178.9	177.6	0	113.9	D290	D290-K292 PolarHBondContact OD1-N 3.27Å
293	D	60.4	Low	87.6	Confident	95 Å²	95	40.9 Å²	40.9	51%	0.508	23%	0.234	S	C	.	.	S	Bend	trans	-104.8	164.2	-176.6	-66.7	-36.7	0	0	0	112.6	C289 D290	C289-D293 WeakPolarHBondContact CB-O 3.4Å; D290-D293 PolarHBondContact OD1-N 2.86Å
294	S	79.1	Confident	87.5	Confident	69 Å²	69	42 Å²	42	48%	0.483	24%	0.238	S	C	.	.			trans	-56.4	145.7	161.4	55.7	0	0	0	0	109.3
295	G	89.3	Confident	87.4	Confident	5 Å²	5	42.1 Å²	42.1	5%	0.052	24%	0.238	C	C	.	.			trans	-61.4	-175.1	-179.7	0	0	0	0	0	113.6	G286 D288 Q297	G286-G295 WeakPolarHBondContact O-CA 3.33Å; D288-G295 WeakPolarHBondContact O-CA 3.43Å; G295-Q297 VanDerWaalsContact O-CG 3.24Å; G295-Q297 WeakPolarHBondContact O-CG 3.38Å; G295-Q297 PolarHBondContact O-N 2.95Å
296	Y	94.6	Very high	87.4	Confident	14 Å²	14	42.4 Å²	42.4	6%	0.055	24%	0.239	C	C	.	.			trans	-56.5	127.7	-174.7	-178.1	-90	0	0	0	112	H189 G286 D288 A298 A341 V344 W361	H189-Y296 HydrophobicContact CB-CD2 4.24Å; H189-Y296 AromaticContact CE1-CE2 3.3Å; H189-Y296 WeakPolarHBondContact CE1-CE2 3.35Å; H189-Y296 AromaticContact CE1-CZ 3.96Å; H189-Y296 AromaticContact CG-CD2 3.97Å; H189-Y296 AromaticContact CG-CE2 3.94Å; H189-Y296 AromaticContact ND1-CD2 3.52Å; H189-Y296 AromaticContact ND1-CE2 3.25Å; H189-Y296 VanDerWaalsContact ND1-CE2 3.25Å; H189-Y296 WeakPolarHBondContact ND1-CE2 3.42Å; G286-Y296 PolarHBondContact N-O 3.2Å; D288-Y296 PolarHBondContact O-N 3.3Å; D288-Y296 WeakPolarHBondContact OD1-CB 3.42Å; D288-Y296 PolarHBondContact OD1-N 3.13Å; D288-Y296 VanDerWaalsContact OD1-N 3.16Å; D288-Y296 VanDerWaalsContact OD2-CB 3.31Å; D288-Y296 WeakPolarHBondContact OD2-CB 3.24Å; Y296-A298 HydrophobicContact CE1-CB 4.17Å; Y296-A341 WeakPolarHBondContact CE1-O 3.29Å; Y296-A341 PolarHBondContact OH-O 3.17Å; Y296-V344 HydrophobicContact CD1-CG1 4.37Å; Y296-V344 HydrophobicContact CD1-CG2 4.05Å; Y296-V344 HydrophobicContact CE1-CG2 4.08Å; Y296-W361 AromaticContact CD2-CD2 3.35Å; Y296-W361 HydrophobicContact CD2-CD2 3.35Å; Y296-W361 AromaticContact CD2-CE2 3.66Å; Y296-W361 AromaticContact CD2-CE3 3.47Å; Y296-W361 HydrophobicContact CD2-CE3 3.47Å; Y296-W361 VanDerWaalsContact CD2-CE3 3.47Å; Y296-W361 AromaticContact CD2-CG 3.87Å; Y296-W361 HydrophobicContact CD2-CG 3.87Å; Y296-W361 HydrophobicContact CD2-CH2 4.23Å; Y296-W361 HydrophobicContact CD2-CZ2 4.08Å; Y296-W361 AromaticContact CD2-CZ3 3.93Å; Y296-W361 HydrophobicContact CD2-CZ3 3.93Å; Y296-W361 HydrophobicContact CE2-CB 3.67Å; Y296-W361 AromaticContact CE2-CD1 3.7Å; Y296-W361 AromaticContact CE2-CD2 3.29Å; Y296-W361 HydrophobicContact CE2-CD2 3.29Å; Y296-W361 AromaticContact CE2-CE2 3.82Å; Y296-W361 AromaticContact CE2-CE3 3.76Å; Y296-W361 HydrophobicContact CE2-CE3 3.76Å; Y296-W361 AromaticContact CE2-CG 3.25Å; Y296-W361 HydrophobicContact CE2-CG 3.25Å; Y296-W361 AromaticContact CE2-NE1 3.99Å; Y296-W361 HydrophobicContact CG-CD2 4.42Å; Y296-W361 HydrophobicContact CG-CE3 4.13Å; Y296-W361 HydrophobicContact CG-CZ3 4.39Å
297	Q	95.8	Very high	87.3	Confident	35 Å²	35	45.2 Å²	45.2	16%	0.164	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	144.8	178.8	-48.6	-179.6	-54.5	0	0	113.1	F284 T285 G295 C357 S359	F284-Q297 WeakPolarHBondContact O-CA 3.37Å; F284-Q297 WeakPolarHBondContact O-CB 3.49Å; T285-Q297 HydrophobicContact CG2-CG 3.85Å; T285-Q297 PolarHBondContact OG1-NE2 3.35Å; G295-Q297 VanDerWaalsContact O-CG 3.24Å; G295-Q297 WeakPolarHBondContact O-CG 3.38Å; G295-Q297 PolarHBondContact O-N 2.95Å; Q297-C357 WeakPolarHBondContact CB-SG 3.38Å; Q297-C357 PolarHBondContact OE1-SG 2.8Å; Q297-S359 PolarHBondContact O-OG 3.22Å
298	A	97.8	Very high	87.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	166.7	170.8	0	0	0	0	0	110.1	F284 Y296 A341 V344	F284-A298 PolarHBondContact N-O 3.22Å; F284-A298 PolarHBondContact O-N 2.61Å; Y296-A298 HydrophobicContact CE1-CB 4.17Å; A298-A341 WeakPolarHBondContact CB-O 3.28Å; A298-V344 HydrophobicContact CB-CG2 3.82Å
299	S	98.3	Very high	87.4	Confident	0 Å²	0	47 Å²	47	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155	176.7	57.3	0	0	0	0	114	V282 C357 Q362 Q387	V282-S299 WeakPolarHBondContact O-CA 3.07Å; V282-S299 VanDerWaalsContact O-CB 3.22Å; V282-S299 WeakPolarHBondContact O-CB 3.5Å; S299-C357 PolarHBondContact OG-N 3.49Å; S299-Q362 VanDerWaalsContact OG-CD 3.29Å; S299-Q362 PolarHBondContact OG-NE2 3.39Å; S299-Q387 PolarHBondContact O-NE2 3.32Å; S299-Q387 VanDerWaalsContact O-NE2 3.14Å
300	I	98.3	Very high	88.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	157.4	169.4	64.6	177.4	0	0	0	110.1	L265 H281 V282 F284 L302 A305 V312 V335 R342	L265-I300 HydrophobicContact CD2-CD1 4.4Å; H281-I300 WeakPolarHBondContact CA-O 3.24Å; V282-I300 HydrophobicContact CB-CG1 4.34Å; V282-I300 PolarHBondContact N-O 2.77Å; V282-I300 PolarHBondContact O-N 2.86Å; V282-I300 VanDerWaalsContact O-N 3.13Å; F284-I300 HydrophobicContact CE2-CB 4.49Å; F284-I300 HydrophobicContact CE2-CD1 3.92Å; F284-I300 HydrophobicContact CE2-CG1 3.74Å; F284-I300 HydrophobicContact CE2-CG2 4.19Å; F284-I300 HydrophobicContact CZ-CD1 3.78Å; F284-I300 HydrophobicContact CZ-CG1 3.88Å; I300-L302 PolarHBondContact O-N 2.9Å; I300-A305 HydrophobicContact CD1-CB 3.95Å; I300-A305 HydrophobicContact CG1-CB 4.3Å; I300-V312 HydrophobicContact CD1-CG1 4.04Å; I300-V312 HydrophobicContact CD1-CG2 4.14Å; I300-V335 HydrophobicContact CD1-CG1 4.25Å; I300-V335 HydrophobicContact CD1-CG2 4.23Å; I300-V335 HydrophobicContact CG2-CG1 4.11Å; I300-V335 HydrophobicContact CG2-CG2 4.06Å; I300-R342 HydrophobicContact CG2-CB 3.83Å; I300-R342 HydrophobicContact CG2-CG 4.34Å
301	P	97.2	Very high	89.8	Confident	48 Å²	48	43.8 Å²	43.8	31%	0.312	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	137.5	171.2	-24.3	34.9	0	0	0	111.6	E303 K304 A305	P301-E303 VanDerWaalsContact C-N 3.28Å; P301-E303 PolarHBondContact O-N 3.22Å; P301-K304 PolarHBondContact O-N 3.3Å; P301-A305 PolarHBondContact O-N 3.27Å; P301-A305 VanDerWaalsContact O-N 3.17Å
302	L	97	Very high	91.8	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	22%	0.218	C	C	.	.	H	α-helix	trans	-64.2	-34.7	-178.9	-179.6	55.9	0	0	0	112.2	L269 V274 K276 G280 V282 I300 K304 A305 M306 I352	L269-L302 HydrophobicContact CD1-CD1 4.14Å; V274-L302 HydrophobicContact CG1-CD1 4.21Å; V274-L302 HydrophobicContact CG1-CD2 4.35Å; K276-L302 WeakPolarHBondContact O-CD2 3.3Å; G280-L302 VanDerWaalsContact O-CB 3.24Å; G280-L302 WeakPolarHBondContact O-CB 3.47Å; G280-L302 PolarHBondContact O-N 3.16Å; V282-L302 HydrophobicContact CG2-CB 4.47Å; V282-L302 HydrophobicContact CG2-CD1 3.45Å; V282-L302 VanDerWaalsContact CG2-CD1 3.45Å; I300-L302 PolarHBondContact O-N 2.9Å; L302-K304 VanDerWaalsContact C-N 3.32Å; L302-K304 PolarHBondContact O-N 2.94Å; L302-A305 HydrophobicContact CD1-CB 4.46Å; L302-A305 WeakPolarHBondContact O-CB 3.42Å; L302-A305 PolarHBondContact O-N 2.84Å; L302-A305 VanDerWaalsContact O-N 3.12Å; L302-M306 HydrophobicContact CD1-CG 3.73Å; L302-M306 HydrophobicContact CG-CG 4.17Å; L302-M306 WeakPolarHBondContact O-CB 3.33Å; L302-M306 WeakPolarHBondContact O-CG 3.26Å; L302-M306 PolarHBondContact O-N 3.03Å; L302-I352 HydrophobicContact CD1-CD1 3.86Å; L302-I352 HydrophobicContact CD2-CG2 3.82Å
303	E	95.8	Very high	93.9	Very high	145 Å²	145	32.6 Å²	32.6	68%	0.678	18%	0.182	S	C	*	.	H	α-helix	trans	-54	-48.1	172.2	-174.3	178.8	-174.5	0	0	111.8	P301 A305 M306 D307	P301-E303 VanDerWaalsContact C-N 3.28Å; P301-E303 PolarHBondContact O-N 3.22Å; E303-A305 VanDerWaalsContact C-N 3.34Å; E303-A305 PolarHBondContact O-N 2.77Å; E303-M306 PolarHBondContact O-N 3.15Å; E303-D307 PolarHBondContact O-N 3.48Å
304	K	96.3	Very high	95.7	Very high	39 Å²	39	28.1 Å²	28.1	17%	0.17	16%	0.158	C	C	.	.	H	α-helix	trans	-64.9	-37.8	176.6	-172.8	176.5	-175.5	72.1	0	112.3	P301 L302 M306 A310 V312 V335 V338	P301-K304 PolarHBondContact O-N 3.3Å; L302-K304 VanDerWaalsContact C-N 3.32Å; L302-K304 PolarHBondContact O-N 2.94Å; K304-M306 VanDerWaalsContact C-N 3.31Å; K304-A310 HydrophobicContact CG-CB 3.92Å; K304-A310 WeakPolarHBondContact O-CB 3.21Å; K304-V312 HydrophobicContact CG-CG2 4.41Å; K304-V335 HydrophobicContact CD-CG1 4.32Å; K304-V338 HydrophobicContact CD-CG2 4.22Å
305	A	97.7	Very high	96.6	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.008	14%	0.135	C	C	.	.	H	α-helix	trans	-68.1	-31.6	178.6	0	0	0	0	0	112.9	L265 S266 L269 V282 I300 P301 L302 E303	L265-A305 HydrophobicContact CD2-CB 3.72Å; L265-A305 HydrophobicContact CG-CB 4.4Å; S266-A305 WeakPolarHBondContact CA-O 3.25Å; S266-A305 WeakPolarHBondContact CB-O 3.32Å; S266-A305 PolarHBondContact N-O 3.18Å; L269-A305 HydrophobicContact CD1-CB 3.99Å; V282-A305 HydrophobicContact CB-CB 4.35Å; V282-A305 HydrophobicContact CG2-CB 3.43Å; V282-A305 VanDerWaalsContact CG2-CB 3.43Å; I300-A305 HydrophobicContact CD1-CB 3.95Å; I300-A305 HydrophobicContact CG1-CB 4.3Å; P301-A305 PolarHBondContact O-N 3.27Å; P301-A305 VanDerWaalsContact O-N 3.17Å; L302-A305 HydrophobicContact CD1-CB 4.46Å; L302-A305 WeakPolarHBondContact O-CB 3.42Å; L302-A305 PolarHBondContact O-N 2.84Å; L302-A305 VanDerWaalsContact O-N 3.12Å; E303-A305 VanDerWaalsContact C-N 3.34Å; E303-A305 PolarHBondContact O-N 2.77Å
306	M	96.3	Very high	97.1	Very high	20 Å²	20	25 Å²	25	10%	0.099	14%	0.135	C	C	.	.	H	α-helix	trans	-90.1	-20.1	-177.7	-69.6	-66.7	-71.3	0	0	113.4	S266 L269 R270 V274 T277 L302 E303 K304 P308	S266-M306 WeakPolarHBondContact CB-O 3.29Å; L269-M306 HydrophobicContact CB-SD 3.53Å; L269-M306 VanDerWaalsContact CB-SD 3.53Å; L269-M306 HydrophobicContact CD1-CG 4.42Å; L269-M306 HydrophobicContact CD1-SD 3.79Å; L269-M306 HydrophobicContact CG-SD 4.32Å; R270-M306 HydrophobicContact CG-CE 3.75Å; R270-M306 PolarHBondContact NH2-O 3.34Å; V274-M306 HydrophobicContact CG1-SD 4.34Å; T277-M306 HydrophobicContact CG2-CB 3.9Å; T277-M306 HydrophobicContact CG2-CE 4.38Å; T277-M306 HydrophobicContact CG2-CG 3.79Å; L302-M306 HydrophobicContact CD1-CG 3.73Å; L302-M306 HydrophobicContact CG-CG 4.17Å; L302-M306 WeakPolarHBondContact O-CB 3.33Å; L302-M306 WeakPolarHBondContact O-CG 3.26Å; L302-M306 PolarHBondContact O-N 3.03Å; E303-M306 PolarHBondContact O-N 3.15Å; K304-M306 VanDerWaalsContact C-N 3.31Å; M306-P308 VanDerWaalsContact O-CD 3.27Å; M306-P308 WeakPolarHBondContact O-CD 3.46Å
307	D	95.4	Very high	97.3	Very high	63 Å²	63	25.1 Å²	25.1	34%	0.337	14%	0.137	S	C	.	.			trans	-71.7	112	173.5	176.7	18	0	0	0	111.5	E303 S309 A310	E303-D307 PolarHBondContact O-N 3.48Å; D307-S309 VanDerWaalsContact CG-OG 3.28Å; D307-S309 PolarHBondContact O-N 2.75Å; D307-S309 WeakPolarHBondContact OD1-CB 3.33Å; D307-S309 PolarHBondContact OD1-N 3.23Å; D307-S309 PolarHBondContact OD1-OG 2.76Å; D307-S309 PolarHBondContact OD2-OG 3.19Å; D307-A310 HydrophobicContact CB-CB 4.21Å; D307-A310 WeakPolarHBondContact O-CB 3.47Å; D307-A310 PolarHBondContact O-N 3.13Å; D307-A310 PolarHBondContact OD2-N 3.2Å
308	P	95	Very high	97.4	Very high	64 Å²	64	23.5 Å²	23.5	42%	0.416	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-63.2	-23.7	176.3	28.1	-34.3	0	0	0	112.8	M306 A310 Q311	M306-P308 VanDerWaalsContact O-CD 3.27Å; M306-P308 WeakPolarHBondContact O-CD 3.46Å; P308-A310 VanDerWaalsContact C-N 3.29Å; P308-A310 PolarHBondContact O-N 2.89Å; P308-Q311 PolarHBondContact O-N 3.41Å
309	S	95.4	Very high	97.5	Very high	53 Å²	53	25.4 Å²	25.4	37%	0.371	14%	0.14	S	C	.	.	G	3₁₀ helix	trans	-70	-26.9	178.3	100.9	0	0	0	0	112.7	D307 Q311 R453	D307-S309 VanDerWaalsContact CG-OG 3.28Å; D307-S309 PolarHBondContact O-N 2.75Å; D307-S309 WeakPolarHBondContact OD1-CB 3.33Å; D307-S309 PolarHBondContact OD1-N 3.23Å; D307-S309 PolarHBondContact OD1-OG 2.76Å; D307-S309 PolarHBondContact OD2-OG 3.19Å; S309-Q311 PolarHBondContact O-N 2.94Å; S309-R453 WeakPolarHBondContact O-CD 3.24Å; S309-R453 PolarHBondContact O-NE 3.4Å
310	A	96.8	Very high	97.4	Very high	5 Å²	5	28.4 Å²	28.4	4%	0.041	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-72.3	-14.4	175.5	0	0	0	0	0	113.6	K304 D307 P308 V312	K304-A310 HydrophobicContact CG-CB 3.92Å; K304-A310 WeakPolarHBondContact O-CB 3.21Å; D307-A310 HydrophobicContact CB-CB 4.21Å; D307-A310 WeakPolarHBondContact O-CB 3.47Å; D307-A310 PolarHBondContact O-N 3.13Å; D307-A310 PolarHBondContact OD2-N 3.2Å; P308-A310 VanDerWaalsContact C-N 3.29Å; P308-A310 PolarHBondContact O-N 2.89Å; A310-V312 VanDerWaalsContact C-N 3.26Å; A310-V312 HydrophobicContact CB-CG2 4.36Å; A310-V312 PolarHBondContact O-N 3.13Å; A310-V312 VanDerWaalsContact O-N 3.17Å
311	Q	97.4	Very high	97.4	Very high	24 Å²	24	34.3 Å²	34.3	11%	0.112	20%	0.199	C	C	.	.			trans	49.6	40.1	175.9	-58.7	-174.7	-84.9	0	0	114.5	I228 P308 S309 L313 P336 R453	I228-Q311 HydrophobicContact CD1-CB 4.36Å; I228-Q311 HydrophobicContact CG2-CB 4.24Å; P308-Q311 PolarHBondContact O-N 3.41Å; S309-Q311 PolarHBondContact O-N 2.94Å; Q311-L313 PolarHBondContact O-N 2.93Å; Q311-P336 HydrophobicContact CB-CG 4.41Å; Q311-P336 WeakPolarHBondContact O-CD 3.24Å; Q311-P336 VanDerWaalsContact O-CG 3.31Å; Q311-P336 WeakPolarHBondContact O-CG 3.39Å; Q311-R453 VanDerWaalsContact OE1-NE 3.15Å
312	V	98.7	Very high	97.5	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.018	21%	0.21	C	C	.	.			trans	-66.6	118.9	171.9	-174.5	0	0	0	0	108.4	L265 I300 K304 A310 V333 I334 V335	L265-V312 HydrophobicContact CB-CB 4.11Å; L265-V312 HydrophobicContact CB-CG1 3.95Å; L265-V312 WeakPolarHBondContact CB-O 3.41Å; L265-V312 HydrophobicContact CD2-CB 4.28Å; L265-V312 HydrophobicContact CD2-CG1 3.58Å; L265-V312 HydrophobicContact CG-CG1 4.42Å; L265-V312 PolarHBondContact N-O 3.02Å; I300-V312 HydrophobicContact CD1-CG1 4.04Å; I300-V312 HydrophobicContact CD1-CG2 4.14Å; K304-V312 HydrophobicContact CG-CG2 4.41Å; A310-V312 VanDerWaalsContact C-N 3.26Å; A310-V312 HydrophobicContact CB-CG2 4.36Å; A310-V312 PolarHBondContact O-N 3.13Å; A310-V312 VanDerWaalsContact O-N 3.17Å; V312-V333 HydrophobicContact CG1-CG1 4.08Å; V312-I334 WeakPolarHBondContact CA-O 3.26Å; V312-V335 HydrophobicContact CG1-CG2 4.2Å; V312-V335 HydrophobicContact CG2-CG1 4.21Å
313	L	98.7	Very high	97.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	144.6	-175	-70.9	178.4	0	0	0	112	V226 I228 W260 V263 L264 Q311 V333 I334	V226-L313 HydrophobicContact CB-CD2 3.87Å; V226-L313 HydrophobicContact CG1-CD2 3.99Å; I228-L313 HydrophobicContact CB-CD1 4.32Å; I228-L313 HydrophobicContact CD1-CD1 3.5Å; I228-L313 HydrophobicContact CD1-CG 4.02Å; I228-L313 HydrophobicContact CG1-CD1 3.51Å; I228-L313 HydrophobicContact CG2-CD1 4.09Å; W260-L313 HydrophobicContact CB-CD1 4.31Å; V263-L313 WeakPolarHBondContact O-CA 3.41Å; L264-L313 HydrophobicContact CD2-CD2 3.84Å; L264-L313 HydrophobicContact CG-CD2 4.37Å; Q311-L313 PolarHBondContact O-N 2.93Å; L313-V333 CarbonylContact O-C 3.56Å; L313-V333 WeakPolarHBondContact O-CA 3.45Å; L313-I334 HydrophobicContact CB-CB 4.3Å; L313-I334 PolarHBondContact N-O 2.86Å; L313-I334 PolarHBondContact O-N 3.41Å
314	L	98.9	Very high	97.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	89.9	157	-56.7	-176.9	0	0	0	107.7	L202 G262 V263 L265 L268 L331 R332 V333 L347 I350	L202-L314 HydrophobicContact CD2-CD1 3.96Å; G262-L314 WeakPolarHBondContact CA-O 3.31Å; V263-L314 HydrophobicContact CG2-CB 3.89Å; V263-L314 HydrophobicContact CG2-CD1 4.28Å; V263-L314 HydrophobicContact CG2-CG 4.45Å; V263-L314 PolarHBondContact N-O 2.8Å; V263-L314 VanDerWaalsContact N-O 3.13Å; V263-L314 PolarHBondContact O-N 3.25Å; L265-L314 HydrophobicContact CD1-CD1 4.28Å; L265-L314 HydrophobicContact CD1-CD2 4.16Å; L265-L314 HydrophobicContact CD1-CG 4.32Å; L268-L314 HydrophobicContact CD1-CD1 3.73Å; L268-L314 HydrophobicContact CD2-CD1 4.29Å; L268-L314 HydrophobicContact CG-CD1 4.4Å; L314-L331 HydrophobicContact CB-CD1 4.15Å; L314-L331 HydrophobicContact CB-CD2 4.33Å; L314-L331 HydrophobicContact CB-CG 4.4Å; L314-R332 CarbonylContact C-O 3.56Å; L314-R332 WeakPolarHBondContact CA-O 3.47Å; L314-V333 HydrophobicContact CD2-CG2 4.05Å; L314-L347 HydrophobicContact CD2-CD2 3.6Å; L314-I350 HydrophobicContact CD1-CD1 4.01Å; L314-I350 HydrophobicContact CD2-CD1 4.13Å
315	A	98.9	Very high	97.6	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	137	-173	0	0	0	0	0	111.5	W260 T261 L323 L331 R332 I334	W260-A315 HydrophobicContact CB-CB 4.34Å; W260-A315 HydrophobicContact CE3-CB 4.33Å; T261-A315 WeakPolarHBondContact O-CA 3.32Å; A315-L323 WeakPolarHBondContact O-CD1 3.41Å; A315-L331 WeakPolarHBondContact O-CA 3.35Å; A315-R332 HydrophobicContact CB-CG 4.14Å; A315-R332 PolarHBondContact N-O 3.06Å; A315-R332 PolarHBondContact O-N 3.09Å; A315-I334 HydrophobicContact CB-CG1 3.76Å
316	Y	98.8	Very high	97.5	Very high	10 Å²	10	30.5 Å²	30.5	4%	0.039	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	-3.1	172	50.3	-113.6	0	0	0	112.8	L216 K220 E225 T261 V263 L323 P330 L331	L216-Y316 HydrophobicContact CD1-CD1 4.34Å; L216-Y316 HydrophobicContact CD1-CG 4.4Å; K220-Y316 HydrophobicContact CD-CE1 4.49Å; K220-Y316 HydrophobicContact CD-CE2 4.41Å; K220-Y316 VanDerWaalsContact CE-CD2 3.43Å; K220-Y316 HydrophobicContact CG-CD1 4.05Å; K220-Y316 HydrophobicContact CG-CE1 3.6Å; K220-Y316 HydrophobicContact CG-CE2 4.25Å; E225-Y316 WeakPolarHBondContact CG-OH 3.36Å; E225-Y316 WeakPolarHBondContact OE2-CE2 3.36Å; E225-Y316 PolarHBondContact OE2-OH 3.47Å; T261-Y316 HydrophobicContact CG2-CE2 4.22Å; T261-Y316 PolarHBondContact O-N 3.39Å; V263-Y316 HydrophobicContact CG1-CE1 4.2Å; Y316-L323 PolarHBondContact O-N 3Å; Y316-P330 WeakPolarHBondContact CA-O 3.48Å; Y316-P330 WeakPolarHBondContact CB-O 3.22Å; Y316-L331 HydrophobicContact CD1-CD1 4.28Å
317	S	98.8	Very high	97.6	Very high	16 Å²	16	29.7 Å²	29.7	11%	0.112	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	144.7	175.7	156.4	0	0	0	0	111	T261 Q321	T261-S317 PolarHBondContact N-O 3.27Å; T261-S317 PolarHBondContact O-N 3.44Å; S317-Q321 CarbonylContact C-O 3.58Å; S317-Q321 WeakPolarHBondContact CA-O 3.48Å; S317-Q321 VanDerWaalsContact CB-O 3.32Å; S317-Q321 WeakPolarHBondContact CB-O 3.49Å; S317-Q321 PolarHBondContact OG-O 3.08Å; S317-Q321 VanDerWaalsContact OG-O 3.12Å
318	M	98.8	Very high	97.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	123	-178.3	177.7	-178.1	176.5	0	0	109.2	N181 F184 A258 T259 W260 G320 Q321 L323 H327	N181-M318 PolarHBondContact ND2-O 2.91Å; N181-M318 WeakPolarHBondContact OD1-CG 3.46Å; F184-M318 HydrophobicContact CB-CE 3.76Å; F184-M318 HydrophobicContact CD1-CE 3.98Å; F184-M318 HydrophobicContact CD2-CE 3.16Å; F184-M318 HydrophobicContact CE1-CE 4.39Å; F184-M318 HydrophobicContact CE2-CE 3.65Å; F184-M318 HydrophobicContact CG-CE 3.36Å; F184-M318 HydrophobicContact CZ-CE 4.25Å; A258-M318 HydrophobicContact CB-CE 3.96Å; A258-M318 HydrophobicContact CB-CG 4.05Å; T259-M318 CarbonylContact O-C 3.56Å; T259-M318 VanDerWaalsContact O-CA 3.3Å; T259-M318 WeakPolarHBondContact O-CA 3.25Å; W260-M318 HydrophobicContact CE3-CB 4.02Å; W260-M318 HydrophobicContact CE3-CG 4.03Å; W260-M318 HydrophobicContact CE3-SD 4.49Å; W260-M318 HydrophobicContact CH2-CE 3.77Å; W260-M318 HydrophobicContact CH2-CG 3.92Å; W260-M318 HydrophobicContact CH2-SD 3.48Å; W260-M318 WeakPolarHBondContact CH2-SD 3.37Å; W260-M318 HydrophobicContact CZ2-CE 4.24Å; W260-M318 HydrophobicContact CZ2-SD 4.42Å; W260-M318 HydrophobicContact CZ3-CB 3.85Å; W260-M318 HydrophobicContact CZ3-CE 4.38Å; W260-M318 HydrophobicContact CZ3-CG 3.62Å; W260-M318 HydrophobicContact CZ3-SD 3.52Å; W260-M318 VanDerWaalsContact CZ3-SD 3.52Å; M318-G320 PolarHBondContact O-N 3.18Å; M318-Q321 PolarHBondContact N-O 3.37Å; M318-Q321 PolarHBondContact O-N 3.07Å; M318-L323 HydrophobicContact CB-CD2 3.75Å; M318-L323 HydrophobicContact SD-CD2 4.44Å; M318-H327 HydrophobicContact SD-CB 4.11Å
319	N	98.4	Very high	97.9	Very high	41 Å²	41	26.1 Å²	26.1	22%	0.219	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.7	39.6	-174.9	-66.3	-38	0	0	0	113.1	T179 N181 A258 T259 Q321	T179-N319 PolarHBondContact O-ND2 2.78Å; N181-N319 PolarHBondContact OD1-ND2 3.41Å; A258-N319 VanDerWaalsContact CA-OD1 3.3Å; A258-N319 WeakPolarHBondContact CA-OD1 3.4Å; A258-N319 WeakPolarHBondContact CB-OD1 3.39Å; T259-N319 PolarHBondContact N-OD1 3.21Å; T259-N319 PolarHBondContact O-N 3.23Å; T259-N319 WeakPolarHBondContact OG1-CA 3.4Å; T259-N319 PolarHBondContact OG1-N 3.21Å; N319-Q321 PolarHBondContact O-N 2.87Å
320	G	98	Very high	98.1	Very high	63 Å²	63	23.7 Å²	23.7	65%	0.649	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.4	5.3	178.4	0	0	0	0	0	115.2	M318	M318-G320 PolarHBondContact O-N 3.18Å
321	Q	97.9	Very high	98.2	Very high	124 Å²	124	23.4 Å²	23.4	58%	0.579	15%	0.145	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	157.6	176.8	-62.9	179.6	-13.6	0	0	110	N181 S317 M318 N319 L323	N181-Q321 PolarHBondContact ND2-OE1 3.28Å; S317-Q321 CarbonylContact C-O 3.58Å; S317-Q321 WeakPolarHBondContact CA-O 3.48Å; S317-Q321 VanDerWaalsContact CB-O 3.32Å; S317-Q321 WeakPolarHBondContact CB-O 3.49Å; S317-Q321 PolarHBondContact OG-O 3.08Å; S317-Q321 VanDerWaalsContact OG-O 3.12Å; M318-Q321 PolarHBondContact N-O 3.37Å; M318-Q321 PolarHBondContact O-N 3.07Å; N319-Q321 PolarHBondContact O-N 2.87Å; Q321-L323 PolarHBondContact O-N 3.39Å
322	A	97.8	Very high	98.2	Very high	68 Å²	68	22.8 Å²	22.8	56%	0.562	14%	0.142	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-52.3	144.9	167.6	0	0	0	0	0	110.1	P324	A322-P324 WeakPolarHBondContact O-CD 3.15Å
323	L	98.5	Very high	98.2	Very high	5 Å²	5	22.7 Å²	22.7	3%	0.026	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-50.9	128.7	177.7	-82.8	170.6	0	0	0	110.5	W260 A315 Y316 M318 Q321 F329 R332	W260-L323 HydrophobicContact CE3-CD2 4.4Å; W260-L323 HydrophobicContact CZ3-CD2 3.89Å; A315-L323 WeakPolarHBondContact O-CD1 3.41Å; Y316-L323 PolarHBondContact O-N 3Å; M318-L323 HydrophobicContact CB-CD2 3.75Å; M318-L323 HydrophobicContact SD-CD2 4.44Å; Q321-L323 PolarHBondContact O-N 3.39Å; L323-F329 HydrophobicContact CB-CB 4.34Å; L323-F329 WeakPolarHBondContact O-CB 3.03Å; L323-F329 VanDerWaalsContact O-CD2 3.31Å; L323-F329 WeakPolarHBondContact O-CD2 3.06Å; L323-R332 HydrophobicContact CD1-CB 4.28Å; L323-R332 HydrophobicContact CD1-CG 3.89Å; L323-R332 HydrophobicContact CD2-CG 4.35Å
324	P	97.2	Very high	98.2	Very high	25 Å²	25	22.7 Å²	22.7	16%	0.162	14%	0.141	C	C	.	.	P	Polyproline II helix	trans	-59.7	148.1	166.1	-21.9	31.5	0	0	0	110.8	N181 A322 E326 H327 G328 F329	N181-P324 HydrophobicContact CB-CG 3.94Å; A322-P324 WeakPolarHBondContact O-CD 3.15Å; P324-E326 VanDerWaalsContact C-N 3.31Å; P324-E326 PolarHBondContact O-N 2.92Å; P324-H327 HydrophobicContact CB-CB 4.3Å; P324-H327 HydrophobicContact CG-CB 4.45Å; P324-H327 CarbonylContact O-C 3.51Å; P324-H327 WeakPolarHBondContact O-CA 3.42Å; P324-H327 PolarHBondContact O-N 3.23Å; P324-G328 PolarHBondContact O-N 3.33Å; P324-F329 PolarHBondContact O-N 3.17Å
325	T	97.2	Very high	98.2	Very high	38 Å²	38	22.7 Å²	22.7	23%	0.233	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-53.8	-46.8	-176.6	-54.3	0	0	0	0	112.1	F148 I192 H327 G328 W346	F148-T325 HydrophobicContact CD1-CG2 3.69Å; F148-T325 HydrophobicContact CE1-CG2 3.85Å; F148-T325 HydrophobicContact CG-CG2 4.05Å; F148-T325 HydrophobicContact CZ-CG2 4.36Å; I192-T325 HydrophobicContact CG2-CG2 3.83Å; T325-H327 PolarHBondContact O-N 3.02Å; T325-G328 PolarHBondContact O-N 3.26Å; T325-G328 VanDerWaalsContact O-N 3.16Å; T325-W346 PolarHBondContact O-NE1 2.99Å
326	E	95.2	Very high	98.2	Very high	19 Å²	19	22.7 Å²	22.7	9%	0.089	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-69.6	-16.3	179.5	72.3	-82.8	-160.5	0	0	114.2	P150 K186 I192 P324 K345	P150-E326 HydrophobicContact CG-CB 4.1Å; P150-E326 HydrophobicContact CG-CG 4.11Å; K186-E326 HydrophobicContact CD-CG 3.92Å; K186-E326 WeakPolarHBondContact CE-OE1 3.28Å; K186-E326 HydrophobicContact CG-CG 4.11Å; I192-E326 HydrophobicContact CD1-CB 3.66Å; P324-E326 VanDerWaalsContact C-N 3.31Å; P324-E326 PolarHBondContact O-N 2.92Å; E326-K345 PolarHBondContact O-NZ 2.81Å
327	H	98.3	Very high	98.2	Very high	3 Å²	3	22.2 Å²	22.2	1%	0.014	14%	0.139	C	C	.	.	G	3₁₀ helix	trans	-99.2	4.9	176.2	-69.9	-64.2	0	0	0	113.2	F184 Y185 M318 P324 T325 R332	F184-H327 AromaticContact CD1-CE1 3.68Å; F184-H327 PolarHBondContact O-CE1 3.04Å; Y185-H327 PolarHBondContact O-CE1 3.29Å; M318-H327 HydrophobicContact SD-CB 4.11Å; P324-H327 HydrophobicContact CB-CB 4.3Å; P324-H327 HydrophobicContact CG-CB 4.45Å; P324-H327 CarbonylContact O-C 3.51Å; P324-H327 WeakPolarHBondContact O-CA 3.42Å; P324-H327 PolarHBondContact O-N 3.23Å; T325-H327 PolarHBondContact O-N 3.02Å; H327-R332 VanDerWaalsContact O-CD 3.29Å; H327-R332 WeakPolarHBondContact O-CD 3.16Å; H327-R332 PolarHBondContact O-NH1 3.37Å
328	G	98.2	Very high	98.2	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	113.9	24.4	167.2	0	0	0	0	0	115.6	P324 T325 L331	P324-G328 PolarHBondContact O-N 3.33Å; T325-G328 PolarHBondContact O-N 3.26Å; T325-G328 VanDerWaalsContact O-N 3.16Å; G328-L331 CarbonylContact O-C 3.44Å; G328-L331 PolarHBondContact O-N 3.26Å
329	F	98.4	Very high	98.2	Very high	52 Å²	52	21.5 Å²	21.5	23%	0.228	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	136.7	173.8	-175.6	-94.6	0	0	0	111.9	V197 L323 P324	V197-F329 HydrophobicContact CB-CE1 4.13Å; V197-F329 HydrophobicContact CB-CZ 3.96Å; V197-F329 HydrophobicContact CG2-CZ 4.11Å; L323-F329 HydrophobicContact CB-CB 4.34Å; L323-F329 WeakPolarHBondContact O-CB 3.03Å; L323-F329 VanDerWaalsContact O-CD2 3.31Å; L323-F329 WeakPolarHBondContact O-CD2 3.06Å; P324-F329 PolarHBondContact O-N 3.17Å
330	P	98.5	Very high	98.2	Very high	1 Å²	1	20.2 Å²	20.2	1%	0.006	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	cis	-89.4	-13.1	2.1	33.8	-34.7	0	0	0	114.5	V195 V197 Y200 L216 Y316	V195-P330 HydrophobicContact CG1-CG 4.18Å; V197-P330 HydrophobicContact CG2-CB 4.2Å; Y200-P330 HydrophobicContact CD1-CG 3.84Å; Y200-P330 HydrophobicContact CD2-CG 3.62Å; Y200-P330 HydrophobicContact CE1-CG 4.06Å; Y200-P330 HydrophobicContact CE2-CG 3.86Å; Y200-P330 HydrophobicContact CG-CG 3.6Å; L216-P330 HydrophobicContact CD1-CB 4.44Å; L216-P330 HydrophobicContact CD2-CB 3.96Å; Y316-P330 WeakPolarHBondContact CA-O 3.48Å; Y316-P330 WeakPolarHBondContact CB-O 3.22Å
331	L	98.8	Very high	98.2	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.102	C	C	.	.			trans	-145.6	136.4	-171.4	-163.3	76.2	0	0	0	111.2	Y200 L202 L216 L219 L314 A315 Y316 G328 W346 L347	Y200-L331 HydrophobicContact CE1-CB 4.44Å; Y200-L331 WeakPolarHBondContact OH-CB 3.4Å; Y200-L331 VanDerWaalsContact OH-CD2 3.24Å; Y200-L331 WeakPolarHBondContact OH-CD2 3.29Å; L202-L331 HydrophobicContact CD1-CD2 4.28Å; L202-L331 HydrophobicContact CD2-CD2 3.83Å; L202-L331 HydrophobicContact CG-CD2 4.44Å; L216-L331 HydrophobicContact CD1-CD1 4.13Å; L219-L331 HydrophobicContact CD1-CD1 4.2Å; L219-L331 HydrophobicContact CD1-CD2 3.7Å; L314-L331 HydrophobicContact CB-CD1 4.15Å; L314-L331 HydrophobicContact CB-CD2 4.33Å; L314-L331 HydrophobicContact CB-CG 4.4Å; A315-L331 WeakPolarHBondContact O-CA 3.35Å; Y316-L331 HydrophobicContact CD1-CD1 4.28Å; G328-L331 CarbonylContact O-C 3.44Å; G328-L331 PolarHBondContact O-N 3.26Å; L331-W346 PolarHBondContact O-N 3.07Å; L331-L347 HydrophobicContact CD2-CD2 4.17Å; L331-L347 PolarHBondContact O-N 2.95Å
332	R	98.9	Very high	98.2	Very high	11 Å²	11	11.8 Å²	11.8	4%	0.042	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	159.4	171.5	75.1	176.5	-62.3	166.9	-0.6	111.6	L314 A315 L323 H327 I334 S343 V344 K345	L314-R332 CarbonylContact C-O 3.56Å; L314-R332 WeakPolarHBondContact CA-O 3.47Å; A315-R332 HydrophobicContact CB-CG 4.14Å; A315-R332 PolarHBondContact N-O 3.06Å; A315-R332 PolarHBondContact O-N 3.09Å; L323-R332 HydrophobicContact CD1-CB 4.28Å; L323-R332 HydrophobicContact CD1-CG 3.89Å; L323-R332 HydrophobicContact CD2-CG 4.35Å; H327-R332 VanDerWaalsContact O-CD 3.29Å; H327-R332 WeakPolarHBondContact O-CD 3.16Å; H327-R332 PolarHBondContact O-NH1 3.37Å; R332-I334 HydrophobicContact CG-CD1 4.15Å; R332-I334 HydrophobicContact CG-CG1 4.25Å; R332-S343 PolarHBondContact NH2-O 2.64Å; R332-V344 CarbonylContact C-O 3.56Å; R332-V344 WeakPolarHBondContact CA-O 3.48Å; R332-V344 WeakPolarHBondContact CB-O 3.34Å; R332-K345 HydrophobicContact CB-CG 4.46Å
333	V	98.9	Very high	98.3	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	140.2	164.6	-169.8	0	0	0	0	109.2	F284 V312 L313 L314 V335 S343 V344 L347	F284-V333 HydrophobicContact CB-CG2 4.29Å; F284-V333 HydrophobicContact CD1-CG2 3.66Å; F284-V333 HydrophobicContact CD2-CG1 4.46Å; F284-V333 HydrophobicContact CD2-CG2 4.2Å; F284-V333 HydrophobicContact CE1-CG1 4.29Å; F284-V333 HydrophobicContact CE1-CG2 3.94Å; F284-V333 HydrophobicContact CE2-CG1 4.03Å; F284-V333 HydrophobicContact CE2-CG2 4.45Å; F284-V333 HydrophobicContact CG-CG2 3.79Å; F284-V333 HydrophobicContact CZ-CG1 3.95Å; F284-V333 HydrophobicContact CZ-CG2 4.33Å; V312-V333 HydrophobicContact CG1-CG1 4.08Å; L313-V333 CarbonylContact O-C 3.56Å; L313-V333 WeakPolarHBondContact O-CA 3.45Å; L314-V333 HydrophobicContact CD2-CG2 4.05Å; V333-V335 HydrophobicContact CG1-CG2 3.64Å; V333-S343 CarbonylContact O-C 3.52Å; V333-S343 VanDerWaalsContact O-C 3.3Å; V333-S343 VanDerWaalsContact O-CA 3.23Å; V333-S343 WeakPolarHBondContact O-CA 3.27Å; V333-S343 WeakPolarHBondContact O-CB 3.48Å; V333-V344 HydrophobicContact CG2-CB 4.42Å; V333-V344 PolarHBondContact N-O 3.04Å; V333-L347 HydrophobicContact CG2-CD1 3.92Å; V333-L347 HydrophobicContact CG2-CD2 3.68Å; V333-L347 HydrophobicContact CG2-CG 4.34Å
334	I	98.9	Very high	98.3	Very high	0 Å²	0	8.5 Å²	8.5	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	117.5	163.5	-62	-64.6	0	0	0	107.3	I228 A230 L232 W260 V312 L313 A315 R332 P336	I228-I334 HydrophobicContact CD1-CG2 4.31Å; A230-I334 HydrophobicContact CB-CG2 4.34Å; L232-I334 HydrophobicContact CD1-CD1 3.86Å; L232-I334 HydrophobicContact CD2-CD1 4.3Å; L232-I334 HydrophobicContact CG-CD1 4.49Å; W260-I334 HydrophobicContact CB-CG1 4.16Å; W260-I334 HydrophobicContact CD2-CD1 3.49Å; W260-I334 VanDerWaalsContact CD2-CD1 3.49Å; W260-I334 HydrophobicContact CD2-CG1 3.73Å; W260-I334 HydrophobicContact CE3-CD1 3.51Å; W260-I334 HydrophobicContact CE3-CG1 3.81Å; W260-I334 HydrophobicContact CG-CD1 4.11Å; W260-I334 HydrophobicContact CG-CG1 3.91Å; W260-I334 HydrophobicContact CG-CG2 4.21Å; W260-I334 HydrophobicContact CH2-CD1 3.95Å; W260-I334 HydrophobicContact CZ2-CD1 3.93Å; W260-I334 HydrophobicContact CZ3-CD1 3.75Å; W260-I334 HydrophobicContact CZ3-CG1 4.48Å; V312-I334 WeakPolarHBondContact CA-O 3.26Å; L313-I334 HydrophobicContact CB-CB 4.3Å; L313-I334 PolarHBondContact N-O 2.86Å; L313-I334 PolarHBondContact O-N 3.41Å; A315-I334 HydrophobicContact CB-CG1 3.76Å; R332-I334 HydrophobicContact CG-CD1 4.15Å; R332-I334 HydrophobicContact CG-CG1 4.25Å; I334-P336 HydrophobicContact CG2-CG 4.33Å; I334-P336 WeakPolarHBondContact O-CD 3.37Å
335	V	98.9	Very high	98.4	Very high	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.045	C	C	.	.			trans	-109	95.5	175.5	-167.1	0	0	0	0	108.6	I300 K304 V312 V333 V338 R342 S343	I300-V335 HydrophobicContact CD1-CG1 4.25Å; I300-V335 HydrophobicContact CD1-CG2 4.23Å; I300-V335 HydrophobicContact CG2-CG1 4.11Å; I300-V335 HydrophobicContact CG2-CG2 4.06Å; K304-V335 HydrophobicContact CD-CG1 4.32Å; V312-V335 HydrophobicContact CG1-CG2 4.2Å; V312-V335 HydrophobicContact CG2-CG1 4.21Å; V333-V335 HydrophobicContact CG1-CG2 3.64Å; V335-V338 HydrophobicContact CB-CB 4.04Å; V335-V338 HydrophobicContact CB-CG1 4.36Å; V335-V338 HydrophobicContact CG1-CB 3.66Å; V335-V338 HydrophobicContact CG1-CG1 4.06Å; V335-V338 HydrophobicContact CG1-CG2 3.62Å; V335-V338 PolarHBondContact O-N 3.5Å; V335-R342 HydrophobicContact CG2-CB 4.32Å; V335-S343 PolarHBondContact N-OG 3.05Å; V335-S343 VanDerWaalsContact N-OG 3.08Å
336	P	98.6	Very high	98.4	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	3%	0.034	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	142.9	-176.5	-23.4	35.6	0	0	0	112.8	I228 A230 Q311 I334 V338 W455	I228-P336 HydrophobicContact CD1-CG 3.45Å; I228-P336 VanDerWaalsContact CD1-CG 3.45Å; A230-P336 HydrophobicContact CB-CB 4.39Å; A230-P336 HydrophobicContact CB-CG 4.49Å; Q311-P336 HydrophobicContact CB-CG 4.41Å; Q311-P336 WeakPolarHBondContact O-CD 3.24Å; Q311-P336 VanDerWaalsContact O-CG 3.31Å; Q311-P336 WeakPolarHBondContact O-CG 3.39Å; I334-P336 HydrophobicContact CG2-CG 4.33Å; I334-P336 WeakPolarHBondContact O-CD 3.37Å; P336-V338 PolarHBondContact O-N 2.83Å; P336-W455 HydrophobicContact CB-CB 3.97Å; P336-W455 HydrophobicContact CB-CD2 3.32Å; P336-W455 HydrophobicContact CB-CE3 3.61Å; P336-W455 HydrophobicContact CB-CG 3.47Å; P336-W455 VanDerWaalsContact CB-CG 3.47Å; P336-W455 HydrophobicContact CB-CZ2 4.35Å; P336-W455 HydrophobicContact CB-CZ3 4.22Å; P336-W455 HydrophobicContact CG-CD2 4.47Å; P336-W455 HydrophobicContact CG-CG 4.42Å
337	G	98.1	Very high	98.6	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.03	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.9	2.2	179.9	0	0	0	0	0	115.1	G420 G421	G337-G420 CarbonylContact O-C 3.55Å; G337-G420 WeakPolarHBondContact O-CA 3.41Å; G337-G421 PolarHBondContact O-N 3.46Å
338	V	98.7	Very high	98.5	Very high	1 Å²	1	6 Å²	6	1%	0.006	3%	0.033	C	C	.	.	B	Isolated β-bridge	trans	-116.1	153.3	-176.2	172.6	0	0	0	0	110.2	K304 V335 P336 A340 R342 Q387	K304-V338 HydrophobicContact CD-CG2 4.22Å; V335-V338 HydrophobicContact CB-CB 4.04Å; V335-V338 HydrophobicContact CB-CG1 4.36Å; V335-V338 HydrophobicContact CG1-CB 3.66Å; V335-V338 HydrophobicContact CG1-CG1 4.06Å; V335-V338 HydrophobicContact CG1-CG2 3.62Å; V335-V338 PolarHBondContact O-N 3.5Å; P336-V338 PolarHBondContact O-N 2.83Å; V338-A340 PolarHBondContact O-N 3.37Å; V338-R342 HydrophobicContact CG1-CB 3.86Å; V338-R342 HydrophobicContact CG1-CG 3.63Å; V338-Q387 CarbonylContact C-O 3.58Å; V338-Q387 WeakPolarHBondContact CA-O 3.45Å; V338-Q387 WeakPolarHBondContact CG1-O 3.47Å
339	V	98.7	Very high	98.5	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.042	C	C	.	.			trans	-53.3	135.4	175.4	68.6	0	0	0	0	111.4	A235 A341 R342 I386 Q387 L389	A235-V339 HydrophobicContact CB-CG2 3.64Å; V339-A341 HydrophobicContact CG1-CB 4.33Å; V339-A341 HydrophobicContact CG2-CB 4.48Å; V339-A341 PolarHBondContact O-N 3.07Å; V339-R342 HydrophobicContact CG1-CG 3.92Å; V339-R342 PolarHBondContact O-N 2.8Å; V339-I386 HydrophobicContact CB-CG2 3.87Å; V339-I386 HydrophobicContact CG1-CB 4.29Å; V339-I386 HydrophobicContact CG1-CG2 3.8Å; V339-I386 WeakPolarHBondContact CG1-O 3.3Å; V339-I386 HydrophobicContact CG2-CG2 4.22Å; V339-Q387 PolarHBondContact N-O 2.84Å; V339-L389 HydrophobicContact CB-CD1 4.11Å; V339-L389 HydrophobicContact CB-CD2 3.98Å; V339-L389 HydrophobicContact CB-CG 3.94Å; V339-L389 HydrophobicContact CG2-CD1 4.19Å; V339-L389 HydrophobicContact CG2-CD2 4.03Å; V339-L389 HydrophobicContact CG2-CG 4.34Å
340	A	98.6	Very high	98.5	Very high	14 Å²	14	5.2 Å²	5.2	12%	0.116	3%	0.031	C	C	.	.	G	3₁₀ helix	trans	-62.6	-15.1	-172	0	0	0	0	0	114.6	Y185 L232 Q233 V338 R342 S343	Y185-A340 WeakPolarHBondContact OH-CB 3.47Å; L232-A340 HydrophobicContact CB-CB 4.03Å; Q233-A340 VanDerWaalsContact O-CB 3.24Å; Q233-A340 WeakPolarHBondContact O-CB 3.37Å; Q233-A340 PolarHBondContact O-N 3.4Å; V338-A340 PolarHBondContact O-N 3.37Å; A340-R342 PolarHBondContact O-N 3.47Å; A340-S343 WeakPolarHBondContact O-CB 3.39Å; A340-S343 PolarHBondContact O-N 2.91Å; A340-S343 VanDerWaalsContact O-N 3.09Å
341	A	98.2	Very high	98.4	Very high	10 Å²	10	6.5 Å²	6.5	8%	0.083	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-58.5	-27	172.4	0	0	0	0	0	112.6	Y296 A298 V339 Y366	Y296-A341 WeakPolarHBondContact CE1-O 3.29Å; Y296-A341 PolarHBondContact OH-O 3.17Å; A298-A341 WeakPolarHBondContact CB-O 3.28Å; V339-A341 HydrophobicContact CG1-CB 4.33Å; V339-A341 HydrophobicContact CG2-CB 4.48Å; V339-A341 PolarHBondContact O-N 3.07Å; A341-Y366 HydrophobicContact CB-CD1 4.02Å; A341-Y366 HydrophobicContact CB-CD2 3.96Å; A341-Y366 HydrophobicContact CB-CE1 3.94Å; A341-Y366 HydrophobicContact CB-CE2 3.88Å; A341-Y366 HydrophobicContact CB-CG 4.01Å
342	R	98.6	Very high	98.3	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	5%	0.045	C	C	.	.	G	3₁₀ helix	trans	-86.3	-10.9	178.2	-44.2	-53	172.4	-155.6	-5.7	113.3	I300 V335 V338 V339 A340 V344 W361 Y366 I386	I300-R342 HydrophobicContact CG2-CB 3.83Å; I300-R342 HydrophobicContact CG2-CG 4.34Å; V335-R342 HydrophobicContact CG2-CB 4.32Å; V338-R342 HydrophobicContact CG1-CB 3.86Å; V338-R342 HydrophobicContact CG1-CG 3.63Å; V339-R342 HydrophobicContact CG1-CG 3.92Å; V339-R342 PolarHBondContact O-N 2.8Å; A340-R342 PolarHBondContact O-N 3.47Å; R342-V344 VanDerWaalsContact C-N 3.29Å; R342-V344 PolarHBondContact O-N 2.84Å; R342-V344 VanDerWaalsContact O-N 3.12Å; R342-W361 PolarHBondContact NH1-O 3Å; R342-Y366 PolarHBondContact NH2-O 3.13Å; R342-I386 PolarHBondContact NE-O 2.98Å; R342-I386 PolarHBondContact NH2-O 2.98Å
343	S	98.8	Very high	98.1	Very high	3 Å²	3	9 Å²	9	2%	0.021	6%	0.057	C	C	.	.	S	Bend	trans	-87.4	64	177.2	-68	0	0	0	0	110.9	R332 V333 V335 A340	R332-S343 PolarHBondContact NH2-O 2.64Å; V333-S343 CarbonylContact O-C 3.52Å; V333-S343 VanDerWaalsContact O-C 3.3Å; V333-S343 VanDerWaalsContact O-CA 3.23Å; V333-S343 WeakPolarHBondContact O-CA 3.27Å; V333-S343 WeakPolarHBondContact O-CB 3.48Å; V335-S343 PolarHBondContact N-OG 3.05Å; V335-S343 VanDerWaalsContact N-OG 3.08Å; A340-S343 WeakPolarHBondContact O-CB 3.39Å; A340-S343 PolarHBondContact O-N 2.91Å; A340-S343 VanDerWaalsContact O-N 3.09Å
344	V	98.6	Very high	97.9	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.012	9%	0.09	C	C	.	.			trans	-55.1	132.5	-173.8	176.8	0	0	0	0	111.8	F284 Y296 A298 R332 V333 R342 L347	F284-V344 HydrophobicContact CB-CB 3.85Å; F284-V344 HydrophobicContact CB-CG1 4.26Å; F284-V344 HydrophobicContact CB-CG2 3.64Å; F284-V344 HydrophobicContact CD2-CG2 4.4Å; F284-V344 HydrophobicContact CG-CG2 4.45Å; Y296-V344 HydrophobicContact CD1-CG1 4.37Å; Y296-V344 HydrophobicContact CD1-CG2 4.05Å; Y296-V344 HydrophobicContact CE1-CG2 4.08Å; A298-V344 HydrophobicContact CB-CG2 3.82Å; R332-V344 CarbonylContact C-O 3.56Å; R332-V344 WeakPolarHBondContact CA-O 3.48Å; R332-V344 WeakPolarHBondContact CB-O 3.34Å; V333-V344 HydrophobicContact CG2-CB 4.42Å; V333-V344 PolarHBondContact N-O 3.04Å; R342-V344 VanDerWaalsContact C-N 3.29Å; R342-V344 PolarHBondContact O-N 2.84Å; R342-V344 VanDerWaalsContact O-N 3.12Å; V344-L347 HydrophobicContact CG1-CD1 4.34Å
345	K	98.7	Very high	97.6	Very high	21 Å²	21	21.6 Å²	21.6	9%	0.091	12%	0.116	C	C	.	.	S	Bend	trans	-96.9	159.7	-179.2	-65.9	-172	-59.9	177.3	0	111	R187 N188 G286 E326 R332 L347	R187-K345 PolarHBondContact O-NZ 2.75Å; N188-K345 PolarHBondContact OD1-NZ 3.46Å; G286-K345 WeakPolarHBondContact CA-O 3.43Å; E326-K345 PolarHBondContact O-NZ 2.81Å; R332-K345 HydrophobicContact CB-CG 4.46Å; K345-L347 VanDerWaalsContact C-N 3.26Å; K345-L347 PolarHBondContact O-N 2.94Å
346	W	97.9	Very high	97.3	Very high	3 Å²	3	23 Å²	23	1%	0.011	12%	0.123	C	C	.	.	S	Bend	trans	53.1	47.2	179.1	-42.7	-76.9	0	0	0	111.1	N188 I192 P193 G286 L287 D288 T325 L331 G348	N188-W346 WeakPolarHBondContact OD1-CH2 3.38Å; I192-W346 HydrophobicContact CB-CZ2 4.19Å; I192-W346 HydrophobicContact CG1-CH2 4.27Å; I192-W346 HydrophobicContact CG1-CZ2 3.96Å; I192-W346 HydrophobicContact CG2-CZ2 3.74Å; P193-W346 HydrophobicContact CG-CB 3.8Å; P193-W346 HydrophobicContact CG-CD2 3.77Å; P193-W346 HydrophobicContact CG-CE3 4.39Å; P193-W346 HydrophobicContact CG-CG 3.45Å; P193-W346 VanDerWaalsContact CG-CG 3.45Å; G286-W346 CarbonylContact C-O 3.53Å; G286-W346 WeakPolarHBondContact CA-O 3.23Å; L287-W346 HydrophobicContact CB-CB 4.14Å; L287-W346 WeakPolarHBondContact CB-O 3.37Å; L287-W346 VanDerWaalsContact CG-O 3.23Å; L287-W346 WeakPolarHBondContact CG-O 3.26Å; L287-W346 PolarHBondContact N-O 3.41Å; D288-W346 HydrophobicContact CB-CD2 4.49Å; D288-W346 HydrophobicContact CB-CE3 3.62Å; D288-W346 HydrophobicContact CB-CZ3 3.76Å; T325-W346 PolarHBondContact O-NE1 2.99Å; L331-W346 PolarHBondContact O-N 3.07Å; W346-G348 PolarHBondContact O-N 2.89Å
347	L	98.6	Very high	97	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	121.5	-167.8	-175.9	67.2	0	0	0	111.2	Y200 L202 F284 L314 L331 V333 V344 K345 I350	Y200-L347 VanDerWaalsContact CE2-O 3.25Å; Y200-L347 WeakPolarHBondContact CE2-O 3.29Å; Y200-L347 PolarHBondContact OH-O 3.01Å; L202-L347 HydrophobicContact CD1-CD2 3.75Å; L202-L347 HydrophobicContact CD1-CG 3.69Å; F284-L347 HydrophobicContact CB-CD1 3.82Å; F284-L347 HydrophobicContact CD1-CD1 4.27Å; F284-L347 HydrophobicContact CG-CD1 4.45Å; L314-L347 HydrophobicContact CD2-CD2 3.6Å; L331-L347 HydrophobicContact CD2-CD2 4.17Å; L331-L347 PolarHBondContact O-N 2.95Å; V333-L347 HydrophobicContact CG2-CD1 3.92Å; V333-L347 HydrophobicContact CG2-CD2 3.68Å; V333-L347 HydrophobicContact CG2-CG 4.34Å; V344-L347 HydrophobicContact CG1-CD1 4.34Å; K345-L347 VanDerWaalsContact C-N 3.26Å; K345-L347 PolarHBondContact O-N 2.94Å; L347-I350 HydrophobicContact CD1-CG1 4.37Å; L347-I350 HydrophobicContact CD2-CD1 3.94Å; L347-I350 HydrophobicContact CD2-CG1 4.02Å; L347-I350 HydrophobicContact CG-CG1 4.43Å
348	G	97.4	Very high	96.6	Very high	8 Å²	8	29.5 Å²	29.5	8%	0.082	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	-32.1	178.8	0	0	0	0	0	114.2	K203 T285 W346	K203-G348 PolarHBondContact N-O 3.06Å; T285-G348 PolarHBondContact O-N 3.17Å; W346-G348 PolarHBondContact O-N 2.89Å
349	L	97.6	Very high	96.2	Very high	35 Å²	35	30 Å²	30	18%	0.183	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	137.8	-175.9	172.8	69	0	0	0	111.8	K203 K205 T285 C351	K203-L349 HydrophobicContact CB-CB 4.48Å; K203-L349 HydrophobicContact CB-CD1 3.56Å; K203-L349 CarbonylContact O-C 3.59Å; K203-L349 WeakPolarHBondContact O-CA 3.48Å; K205-L349 HydrophobicContact CD-CD1 4.3Å; K205-L349 HydrophobicContact CG-CD1 4.2Å; T285-L349 PolarHBondContact N-O 2.91Å; T285-L349 PolarHBondContact O-N 2.87Å; L349-C351 VanDerWaalsContact CG-SG 3.58Å
350	I	98.3	Very high	95.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	127.2	168.7	-56.3	-178.5	0	0	0	107.8	L202 K203 V204 K205 L265 L268 L269 V282 V283 F284 L314 L347	L202-I350 HydrophobicContact CD1-CD1 4.26Å; L202-I350 HydrophobicContact CD1-CG1 4.1Å; L202-I350 HydrophobicContact CD2-CD1 4.16Å; K203-I350 PolarHBondContact O-N 3.08Å; V204-I350 CarbonylContact C-O 3.5Å; V204-I350 WeakPolarHBondContact CA-O 3.25Å; V204-I350 HydrophobicContact CG1-CB 4.35Å; V204-I350 HydrophobicContact CG1-CG2 4.49Å; K205-I350 PolarHBondContact N-O 3.49Å; L265-I350 HydrophobicContact CD1-CD1 3.9Å; L268-I350 HydrophobicContact CD2-CD1 4.17Å; L269-I350 HydrophobicContact CD2-CG2 4.13Å; V282-I350 HydrophobicContact CG1-CG2 3.41Å; V282-I350 VanDerWaalsContact CG1-CG2 3.41Å; V283-I350 CarbonylContact O-C 3.56Å; V283-I350 WeakPolarHBondContact O-CA 3.16Å; F284-I350 HydrophobicContact CD1-CG1 4.18Å; F284-I350 HydrophobicContact CD1-CG2 4.44Å; F284-I350 HydrophobicContact CE1-CG2 4.43Å; L314-I350 HydrophobicContact CD1-CD1 4.01Å; L314-I350 HydrophobicContact CD2-CD1 4.13Å; L347-I350 HydrophobicContact CD1-CG1 4.37Å; L347-I350 HydrophobicContact CD2-CD1 3.94Å; L347-I350 HydrophobicContact CD2-CG1 4.02Å; L347-I350 HydrophobicContact CG-CG1 4.43Å
351	C	97	Very high	95.3	Very high	28 Å²	28	32.2 Å²	32.2	19%	0.189	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	137.3	174.9	-66.5	0	0	0	0	110.7	K205 V283 L349	K205-C351 WeakPolarHBondContact O-CA 3.32Å; V283-C351 HydrophobicContact CB-CB 4.36Å; V283-C351 PolarHBondContact N-O 3.23Å; V283-C351 PolarHBondContact O-N 3.16Å; L349-C351 VanDerWaalsContact CG-SG 3.58Å
352	I	97	Very high	95.1	Very high	23 Å²	23	31.8 Å²	31.8	12%	0.118	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	134.8	164.6	-53.5	-49.3	0	0	0	109.2	K205 E207 L269 V274 H281 V282 L302	K205-I352 PolarHBondContact O-N 3.26Å; E207-I352 HydrophobicContact CB-CB 4.34Å; E207-I352 HydrophobicContact CB-CG2 3.93Å; L269-I352 HydrophobicContact CD1-CD1 4.45Å; L269-I352 HydrophobicContact CD2-CD1 3.96Å; V274-I352 HydrophobicContact CG1-CD1 4.42Å; V274-I352 HydrophobicContact CG1-CG1 4.22Å; V274-I352 HydrophobicContact CG2-CD1 4.16Å; V274-I352 HydrophobicContact CG2-CG1 3.67Å; H281-I352 WeakPolarHBondContact O-CA 3.23Å; V282-I352 HydrophobicContact CB-CD1 4.45Å; V282-I352 HydrophobicContact CG1-CD1 4.34Å; V282-I352 HydrophobicContact CG2-CD1 3.79Å; L302-I352 HydrophobicContact CD1-CD1 3.86Å; L302-I352 HydrophobicContact CD2-CG2 3.82Å
353	S	94.8	Very high	94.7	Very high	42 Å²	42	35.6 Å²	35.6	29%	0.294	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	151.6	-177.7	177.8	0	0	0	0	110.2	G280 H281 Q355	G280-S353 CarbonylContact C-O 3.43Å; G280-S353 WeakPolarHBondContact CA-O 3.33Å; H281-S353 PolarHBondContact N-O 3.44Å; H281-S353 PolarHBondContact O-N 3.34Å; S353-Q355 VanDerWaalsContact C-N 3.26Å; S353-Q355 VanDerWaalsContact CB-O 3.31Å; S353-Q355 WeakPolarHBondContact CB-O 3.43Å; S353-Q355 PolarHBondContact OG-N 3.15Å; S353-Q355 VanDerWaalsContact OG-N 3.08Å; S353-Q355 PolarHBondContact OG-O 3.04Å
354	E	93.2	Very high	94	Very high	144 Å²	144	37.1 Å²	37.1	67%	0.673	19%	0.191	S	C	*	.	S	Bend	trans	-78	-14.2	169.9	-61.3	-168.9	153.1	0	0	112.6
355	Q	92.7	Very high	93.6	Very high	119 Å²	119	37.4 Å²	37.4	56%	0.556	19%	0.192	S	C	*	.	S	Bend	trans	-123.8	157.7	-177.9	-61.5	-62.4	-42.7	0	0	110.9	H281 S353	H281-Q355 WeakPolarHBondContact CB-O 3.22Å; S353-Q355 VanDerWaalsContact C-N 3.26Å; S353-Q355 VanDerWaalsContact CB-O 3.31Å; S353-Q355 WeakPolarHBondContact CB-O 3.43Å; S353-Q355 PolarHBondContact OG-N 3.15Å; S353-Q355 VanDerWaalsContact OG-N 3.08Å; S353-Q355 PolarHBondContact OG-O 3.04Å
356	E	94.1	Very high	93.4	Very high	31 Å²	31	36.8 Å²	36.8	15%	0.145	19%	0.189	C	C	.	.			trans	-52.8	155.5	165.2	-71.5	-160.2	129.3	0	0	111.1	H281 D358 Q362 S385	H281-E356 PolarHBondContact CD2-N 3.41Å; H281-E356 WeakPolarHBondContact CE1-CG 3.31Å; E356-D358 PolarHBondContact O-N 2.91Å; E356-Q362 HydrophobicContact CB-CG 4.04Å; E356-Q362 PolarHBondContact OE1-NE2 2.82Å; E356-S385 VanDerWaalsContact OE1-CB 3.27Å; E356-S385 WeakPolarHBondContact OE1-CB 3.43Å; E356-S385 PolarHBondContact OE1-OG 3.05Å; E356-S385 PolarHBondContact OE2-OG 3.2Å
357	C	91.6	Very high	93.2	Very high	5 Å²	5	36.9 Å²	36.9	3%	0.034	19%	0.19	C	C	.	.			trans	-56.1	138.2	173.6	178.9	0	0	0	0	111.5	V283 Q297 S299 S359 Q362 R363	V283-C357 HydrophobicContact CB-CB 4.46Å; V283-C357 HydrophobicContact CG1-CB 3.79Å; V283-C357 HydrophobicContact CG2-CB 4.01Å; Q297-C357 WeakPolarHBondContact CB-SG 3.38Å; Q297-C357 PolarHBondContact OE1-SG 2.8Å; S299-C357 PolarHBondContact OG-N 3.49Å; C357-S359 PolarHBondContact O-N 2.92Å; C357-S359 PolarHBondContact SG-N 2.78Å; C357-S359 VanDerWaalsContact SG-N 3.44Å; C357-Q362 HydrophobicContact CB-CB 4.11Å; C357-Q362 HydrophobicContact CB-CG 4.13Å; C357-Q362 VanDerWaalsContact O-CB 3.32Å; C357-Q362 WeakPolarHBondContact O-CB 3.39Å; C357-Q362 WeakPolarHBondContact O-CG 3.47Å; C357-R363 VanDerWaalsContact O-CD 3.24Å; C357-R363 WeakPolarHBondContact O-CD 3.43Å; C357-R363 VanDerWaalsContact O-CG 3.31Å; C357-R363 WeakPolarHBondContact O-CG 3.35Å
358	D	90.5	Very high	92.7	Very high	131 Å²	131	39.9 Å²	39.9	70%	0.701	20%	0.204	S	C	*	.			trans	-78.5	0.4	179.8	-71.3	-43.8	0	0	0	114.5	E356	E356-D358 PolarHBondContact O-N 2.91Å
359	S	90.2	Very high	92.1	Very high	11 Å²	11	39.8 Å²	39.8	8%	0.077	20%	0.202	C	C	.	.	S	Bend	trans	-61.6	150.8	-178.4	79.5	0	0	0	0	112.4	Q297 C357 W361 Q362 R363	Q297-S359 PolarHBondContact O-OG 3.22Å; C357-S359 PolarHBondContact O-N 2.92Å; C357-S359 PolarHBondContact SG-N 2.78Å; C357-S359 VanDerWaalsContact SG-N 3.44Å; S359-W361 PolarHBondContact O-N 3.34Å; S359-W361 VanDerWaalsContact O-N 3.14Å; S359-Q362 PolarHBondContact O-N 3.16Å; S359-Q362 PolarHBondContact OG-N 3.28Å; S359-R363 PolarHBondContact O-N 3.07Å
360	L	87.3	Confident	91.4	Very high	36 Å²	36	40.3 Å²	40.3	19%	0.188	21%	0.212	C	C	.	.	H	α-helix	trans	-48.6	-43.3	173.4	178.1	79.2	0	0	0	111.9	G92 I95 Q362 S364 D365	G92-L360 WeakPolarHBondContact O-CD2 3.24Å; I95-L360 HydrophobicContact CD1-CD2 3.85Å; I95-L360 HydrophobicContact CG1-CD2 4.33Å; L360-Q362 VanDerWaalsContact C-N 3.29Å; L360-Q362 PolarHBondContact O-N 3.25Å; L360-S364 CarbonylContact O-C 3.53Å; L360-S364 WeakPolarHBondContact O-CA 3.14Å; L360-S364 PolarHBondContact O-N 3.47Å; L360-D365 PolarHBondContact O-N 2.78Å
361	W	91.2	Very high	90.7	Very high	25 Å²	25	44.7 Å²	44.7	10%	0.095	24%	0.24	C	C	.	.	H	α-helix	trans	-73	-18	-176.4	-51.6	-71.8	0	0	0	114	H189 H190 Y296 R342 S359 Y366	H189-W361 HydrophobicContact CB-CZ2 4.35Å; H189-W361 AromaticContact CD2-CD1 3.65Å; H189-W361 AromaticContact CD2-NE1 3.21Å; H189-W361 PolarHBondContact CD2-NE1 2.93Å; H189-W361 AromaticContact CG-NE1 3.76Å; H189-W361 AromaticContact NE2-CD1 3.54Å; H189-W361 AromaticContact NE2-NE1 3.65Å; H190-W361 AromaticContact CE1-CH2 3.14Å; H190-W361 WeakPolarHBondContact CE1-CH2 3.22Å; H190-W361 AromaticContact CE1-CZ2 3.4Å; H190-W361 VanDerWaalsContact CE1-CZ2 3.4Å; H190-W361 WeakPolarHBondContact CE1-CZ2 3.24Å; H190-W361 AromaticContact NE2-CH2 3.3Å; H190-W361 VanDerWaalsContact NE2-CH2 3.3Å; H190-W361 WeakPolarHBondContact NE2-CH2 3.5Å; H190-W361 AromaticContact NE2-CZ2 3.25Å; H190-W361 VanDerWaalsContact NE2-CZ2 3.25Å; H190-W361 WeakPolarHBondContact NE2-CZ2 3.29Å; Y296-W361 AromaticContact CD2-CD2 3.35Å; Y296-W361 HydrophobicContact CD2-CD2 3.35Å; Y296-W361 AromaticContact CD2-CE2 3.66Å; Y296-W361 AromaticContact CD2-CE3 3.47Å; Y296-W361 HydrophobicContact CD2-CE3 3.47Å; Y296-W361 VanDerWaalsContact CD2-CE3 3.47Å; Y296-W361 AromaticContact CD2-CG 3.87Å; Y296-W361 HydrophobicContact CD2-CG 3.87Å; Y296-W361 HydrophobicContact CD2-CH2 4.23Å; Y296-W361 HydrophobicContact CD2-CZ2 4.08Å; Y296-W361 AromaticContact CD2-CZ3 3.93Å; Y296-W361 HydrophobicContact CD2-CZ3 3.93Å; Y296-W361 HydrophobicContact CE2-CB 3.67Å; Y296-W361 AromaticContact CE2-CD1 3.7Å; Y296-W361 AromaticContact CE2-CD2 3.29Å; Y296-W361 HydrophobicContact CE2-CD2 3.29Å; Y296-W361 AromaticContact CE2-CE2 3.82Å; Y296-W361 AromaticContact CE2-CE3 3.76Å; Y296-W361 HydrophobicContact CE2-CE3 3.76Å; Y296-W361 AromaticContact CE2-CG 3.25Å; Y296-W361 HydrophobicContact CE2-CG 3.25Å; Y296-W361 AromaticContact CE2-NE1 3.99Å; Y296-W361 HydrophobicContact CG-CD2 4.42Å; Y296-W361 HydrophobicContact CG-CE3 4.13Å; Y296-W361 HydrophobicContact CG-CZ3 4.39Å; R342-W361 PolarHBondContact NH1-O 3Å; S359-W361 PolarHBondContact O-N 3.34Å; S359-W361 VanDerWaalsContact O-N 3.14Å; W361-Y366 HydrophobicContact CB-CD2 4.11Å; W361-Y366 HydrophobicContact CB-CE2 4.13Å; W361-Y366 VanDerWaalsContact O-CD2 3.31Å; W361-Y366 WeakPolarHBondContact O-CD2 3.42Å
362	Q	92.2	Very high	89.8	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-95.3	-45.9	172.6	-169.8	74.2	31.2	0	0	110.8	S299 E356 C357 S359 L360 K367 S385	S299-Q362 VanDerWaalsContact OG-CD 3.29Å; S299-Q362 PolarHBondContact OG-NE2 3.39Å; E356-Q362 HydrophobicContact CB-CG 4.04Å; E356-Q362 PolarHBondContact OE1-NE2 2.82Å; C357-Q362 HydrophobicContact CB-CB 4.11Å; C357-Q362 HydrophobicContact CB-CG 4.13Å; C357-Q362 VanDerWaalsContact O-CB 3.32Å; C357-Q362 WeakPolarHBondContact O-CB 3.39Å; C357-Q362 WeakPolarHBondContact O-CG 3.47Å; S359-Q362 PolarHBondContact O-N 3.16Å; S359-Q362 PolarHBondContact OG-N 3.28Å; L360-Q362 VanDerWaalsContact C-N 3.29Å; L360-Q362 PolarHBondContact O-N 3.25Å; Q362-K367 VanDerWaalsContact O-CE 3.27Å; Q362-K367 WeakPolarHBondContact O-CE 3.47Å; Q362-S385 PolarHBondContact NE2-OG 2.82Å; Q362-S385 PolarHBondContact O-OG 2.96Å; Q362-S385 VanDerWaalsContact O-OG 3.09Å
363	R	90.3	Very high	88.4	Confident	80 Å²	80	50 Å²	50	30%	0.302	27%	0.271	S	S	.	.	H	α-helix	trans	-81.8	-39.5	-171.4	-59.4	-62.7	-72	171.2	-6.5	113.6	C357 S359 K367	C357-R363 VanDerWaalsContact O-CD 3.24Å; C357-R363 WeakPolarHBondContact O-CD 3.43Å; C357-R363 VanDerWaalsContact O-CG 3.31Å; C357-R363 WeakPolarHBondContact O-CG 3.35Å; S359-R363 PolarHBondContact O-N 3.07Å; R363-K367 WeakPolarHBondContact O-CE 3.34Å; R363-K367 PolarHBondContact O-NZ 2.92Å
364	S	85.3	Confident	87.4	Confident	36 Å²	36	53 Å²	53	25%	0.252	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.8	5.6	-165.5	-53.7	0	0	0	0	114.8	L360 R375 F380	L360-S364 CarbonylContact O-C 3.53Å; L360-S364 WeakPolarHBondContact O-CA 3.14Å; L360-S364 PolarHBondContact O-N 3.47Å; S364-R375 PolarHBondContact O-NH2 2.78Å; S364-F380 VanDerWaalsContact O-CE1 3.32Å; S364-F380 WeakPolarHBondContact O-CE1 3.46Å
365	D	89.2	Confident	86.4	Confident	8 Å²	8	47 Å²	47	4%	0.043	25%	0.251	C	S	.	.	S	Bend	trans	-135.2	174.6	168.2	-152.1	1.6	0	0	0	109.6	L360 K367 R500 F502	L360-D365 PolarHBondContact O-N 2.78Å; D365-K367 PolarHBondContact O-N 3.46Å; D365-R500 IonicContact OD1-CZ 3.02Å; D365-R500 IonicContact OD1-NE 3.86Å; D365-R500 PolarHBondContact OD1-NE 3.31Å; D365-R500 IonicContact OD1-NH2 3.1Å; D365-R500 PolarHBondContact OD1-NH2 3.08Å; D365-R500 IonicContact OD2-CZ 2.73Å; D365-R500 IonicContact OD2-NE 2.71Å; D365-R500 IonicContact OD2-NH2 2.82Å; D365-R500 PolarHBondContact OD2-NH2 3.31Å; D365-F502 WeakPolarHBondContact OD1-CE2 3.41Å; D365-F502 WeakPolarHBondContact OD1-CZ 3.4Å
366	Y	94.6	Very high	85.5	Confident	8 Å²	8	45.1 Å²	45.1	3%	0.031	25%	0.251	C	S	.	.	S	Bend	trans	53.1	42.7	-178	-60.7	-68.7	0	0	0	113.3	R187 H189 A235 A341 R342 W361 I386 F502	R187-Y366 PolarHBondContact NE-OH 3.47Å; H189-Y366 AromaticContact CE1-CZ 4Å; H189-Y366 PolarHBondContact CE1-OH 2.86Å; H189-Y366 AromaticContact NE2-CE2 3.92Å; H189-Y366 AromaticContact NE2-CZ 3.93Å; H189-Y366 PolarHBondContact NE2-OH 3.27Å; H189-Y366 VanDerWaalsContact NE2-OH 3.14Å; A235-Y366 HydrophobicContact CB-CD1 3.53Å; A235-Y366 HydrophobicContact CB-CE1 3.84Å; A341-Y366 HydrophobicContact CB-CD1 4.02Å; A341-Y366 HydrophobicContact CB-CD2 3.96Å; A341-Y366 HydrophobicContact CB-CE1 3.94Å; A341-Y366 HydrophobicContact CB-CE2 3.88Å; A341-Y366 HydrophobicContact CB-CG 4.01Å; R342-Y366 PolarHBondContact NH2-O 3.13Å; W361-Y366 HydrophobicContact CB-CD2 4.11Å; W361-Y366 HydrophobicContact CB-CE2 4.13Å; W361-Y366 VanDerWaalsContact O-CD2 3.31Å; W361-Y366 WeakPolarHBondContact O-CD2 3.42Å; Y366-I386 VanDerWaalsContact O-CB 3.31Å; Y366-I386 WeakPolarHBondContact O-CB 3.48Å; Y366-I386 WeakPolarHBondContact O-CD1 3.4Å; Y366-I386 WeakPolarHBondContact O-CG1 3.31Å; Y366-I386 PolarHBondContact O-N 2.84Å; Y366-F502 AromaticContact CD1-CE1 3.97Å; Y366-F502 HydrophobicContact CD1-CE1 3.97Å; Y366-F502 AromaticContact CD1-CZ 3.93Å; Y366-F502 HydrophobicContact CD1-CZ 3.93Å; Y366-F502 HydrophobicContact CE1-CE1 4.05Å; Y366-F502 HydrophobicContact CE1-CZ 4.25Å; Y366-F502 HydrophobicContact CG-CZ 4.49Å
367	K	93.3	Very high	84.7	Confident	5 Å²	5	47.8 Å²	47.8	2%	0.022	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-127.3	148.6	171.8	-61.5	-163.6	176.7	-170.7	0	109.5	Q362 R363 D365 F380 L383 S385	Q362-K367 VanDerWaalsContact O-CE 3.27Å; Q362-K367 WeakPolarHBondContact O-CE 3.47Å; R363-K367 WeakPolarHBondContact O-CE 3.34Å; R363-K367 PolarHBondContact O-NZ 2.92Å; D365-K367 PolarHBondContact O-N 3.46Å; K367-F380 HydrophobicContact CD-CD1 4.35Å; K367-F380 PolarHBondContact NZ-O 2.94Å; K367-L383 HydrophobicContact CB-CB 4.18Å; K367-L383 HydrophobicContact CB-CD1 4.39Å; K367-L383 HydrophobicContact CD-CB 3.67Å; K367-L383 WeakPolarHBondContact CD-O 3.31Å; K367-L383 WeakPolarHBondContact CE-O 3.46Å; K367-L383 HydrophobicContact CG-CB 4.48Å; K367-L383 PolarHBondContact NZ-O 2.73Å; K367-S385 VanDerWaalsContact CE-OG 3.27Å; K367-S385 WeakPolarHBondContact CE-OG 3.39Å
368	M	89.2	Confident	84.2	Confident	62 Å²	62	48.9 Å²	48.9	31%	0.305	27%	0.274	S	S	.	.	P	Polyproline II helix	trans	-85.5	119.8	173.4	-170.3	68.2	170.4	0	0	109	I496 N498 L503	M368-I496 HydrophobicContact CE-CB 4.42Å; M368-I496 WeakPolarHBondContact CE-O 3.28Å; M368-N498 HydrophobicContact CE-CB 3.92Å; M368-N498 VanDerWaalsContact CE-ND2 3.31Å; M368-N498 WeakPolarHBondContact CE-ND2 3.34Å; M368-N498 HydrophobicContact SD-CB 3.78Å; M368-N498 PolarHBondContact SD-ND2 3.04Å; M368-L503 HydrophobicContact CB-CD1 4.01Å; M368-L503 HydrophobicContact CG-CD1 4.25Å; M368-L503 HydrophobicContact SD-CB 4.33Å; M368-L503 HydrophobicContact SD-CD1 3.97Å; M368-L503 HydrophobicContact SD-CG 4.42Å
369	T	85.5	Confident	84	Confident	7 Å²	7	47.5 Å²	47.5	4%	0.043	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-94.7	160.9	177.8	68.4	0	0	0	0	110.1	F378 L383 S499	T369-F378 HydrophobicContact CG2-CD2 3.53Å; T369-F378 HydrophobicContact CG2-CE2 3.48Å; T369-F378 VanDerWaalsContact CG2-CE2 3.48Å; T369-F378 HydrophobicContact CG2-CG 4.16Å; T369-F378 HydrophobicContact CG2-CZ 4.03Å; T369-L383 HydrophobicContact CG2-CD1 3.97Å; T369-S499 PolarHBondContact OG1-OG 3.28Å
370	A	82.4	Confident	83.8	Confident	46 Å²	46	48.7 Å²	48.7	38%	0.38	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-55.2	155.8	164.3	0	0	0	0	0	110.5	I372	A370-I372 HydrophobicContact CB-CD1 4.24Å; A370-I372 HydrophobicContact CB-CG1 4.26Å; A370-I372 PolarHBondContact O-N 2.77Å
371	P	84.2	Confident	83.9	Confident	92 Å²	92	50.5 Å²	50.5	60%	0.597	29%	0.291	S	S	*	.	S	Bend	trans	-75.7	51.2	179.3	33	-37.3	0	0	0	112.1	W497	P371-W497 HydrophobicContact CB-CE3 3.8Å; P371-W497 HydrophobicContact CB-CZ3 4.41Å; P371-W497 WeakPolarHBondContact CB-O 3.49Å
372	I	77.6	Confident	83.8	Confident	74 Å²	74	53 Å²	53	38%	0.379	32%	0.317	S	S	.	.			trans	-113.1	132.8	177	-56.8	173.4	0	0	0	107.7	A370 Q374 F378	A370-I372 HydrophobicContact CB-CD1 4.24Å; A370-I372 HydrophobicContact CB-CG1 4.26Å; A370-I372 PolarHBondContact O-N 2.77Å; I372-Q374 VanDerWaalsContact CG2-OE1 3.31Å; I372-Q374 PolarHBondContact O-N 2.87Å; I372-F378 HydrophobicContact CB-CE1 4.27Å; I372-F378 VanDerWaalsContact O-CZ 3.26Å; I372-F378 WeakPolarHBondContact O-CZ 3.26Å
373	P	67.9	Low	83.7	Confident	88 Å²	88	55.2 Å²	55.2	57%	0.571	33%	0.329	S	S	*	.	S	Bend	trans	-65.8	-31.8	-179.4	-25	34.7	0	0	0	115	R375 W497	P373-R375 PolarHBondContact O-N 3.35Å; P373-W497 HydrophobicContact CG-CH2 4.37Å
374	Q	73.2	Confident	83.8	Confident	104 Å²	104	59.3 Å²	59.3	49%	0.486	35%	0.351	S	S	.	.			trans	-81	99.3	-170.3	-67.4	78.9	6.1	0	0	112.2	I372 S376 T377	I372-Q374 VanDerWaalsContact CG2-OE1 3.31Å; I372-Q374 PolarHBondContact O-N 2.87Å; Q374-S376 PolarHBondContact O-N 2.75Å; Q374-T377 HydrophobicContact CB-CG2 3.98Å; Q374-T377 PolarHBondContact O-N 2.9Å; Q374-T377 VanDerWaalsContact O-N 3.1Å; Q374-T377 PolarHBondContact O-OG1 3.33Å
375	R	72.2	Confident	84.3	Confident	18 Å²	18	57.7 Å²	57.7	7%	0.068	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-61.9	-26.5	178.3	172.1	174.3	-173.9	176	7.1	114.4	D88 V89 H90 S364 P373 T377 F378 F380	D88-R375 WeakPolarHBondContact O-CG 3.48Å; V89-R375 HydrophobicContact CB-CB 4.11Å; V89-R375 HydrophobicContact CG1-CB 3.9Å; H90-R375 PolarHBondContact O-NH1 3.45Å; S364-R375 PolarHBondContact O-NH2 2.78Å; P373-R375 PolarHBondContact O-N 3.35Å; R375-T377 PolarHBondContact O-N 2.73Å; R375-T377 VanDerWaalsContact O-N 3.12Å; R375-F378 VanDerWaalsContact CA-CE2 3.49Å; R375-F378 HydrophobicContact CB-CD2 3.94Å; R375-F378 HydrophobicContact CB-CE2 3.82Å; R375-F378 HydrophobicContact CG-CD2 3.85Å; R375-F378 HydrophobicContact CG-CE2 4.16Å; R375-F378 WeakPolarHBondContact O-CB 3.48Å; R375-F378 PolarHBondContact O-N 2.9Å; R375-F378 VanDerWaalsContact O-N 3.08Å; R375-F380 HydrophobicContact CG-CE2 4.06Å; R375-F380 HydrophobicContact CG-CZ 4.04Å
376	S	72.7	Confident	84.8	Confident	80 Å²	80	57.9 Å²	57.9	56%	0.559	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-61	-17.6	174.6	53.5	0	0	0	0	113.8	Q374	Q374-S376 PolarHBondContact O-N 2.75Å
377	T	77.7	Confident	84.9	Confident	88 Å²	88	58.8 Å²	58.8	54%	0.54	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-88.3	-6	177.7	66.6	0	0	0	0	113.7	Q374 R375	Q374-T377 HydrophobicContact CB-CG2 3.98Å; Q374-T377 PolarHBondContact O-N 2.9Å; Q374-T377 VanDerWaalsContact O-N 3.1Å; Q374-T377 PolarHBondContact O-OG1 3.33Å; R375-T377 PolarHBondContact O-N 2.73Å; R375-T377 VanDerWaalsContact O-N 3.12Å
378	F	80.9	Confident	85.2	Confident	28 Å²	28	62.8 Å²	62.8	12%	0.123	36%	0.364	C	S	.	.			trans	-84.9	124.1	-174.8	-57.6	-25.4	0	0	0	112.1	T369 I372 R375 F380 S499	T369-F378 HydrophobicContact CG2-CD2 3.53Å; T369-F378 HydrophobicContact CG2-CE2 3.48Å; T369-F378 VanDerWaalsContact CG2-CE2 3.48Å; T369-F378 HydrophobicContact CG2-CG 4.16Å; T369-F378 HydrophobicContact CG2-CZ 4.03Å; I372-F378 HydrophobicContact CB-CE1 4.27Å; I372-F378 VanDerWaalsContact O-CZ 3.26Å; I372-F378 WeakPolarHBondContact O-CZ 3.26Å; R375-F378 VanDerWaalsContact CA-CE2 3.49Å; R375-F378 HydrophobicContact CB-CD2 3.94Å; R375-F378 HydrophobicContact CB-CE2 3.82Å; R375-F378 HydrophobicContact CG-CD2 3.85Å; R375-F378 HydrophobicContact CG-CE2 4.16Å; R375-F378 WeakPolarHBondContact O-CB 3.48Å; R375-F378 PolarHBondContact O-N 2.9Å; R375-F378 VanDerWaalsContact O-N 3.08Å; F378-F380 HydrophobicContact CB-CD2 4.3Å; F378-F380 HydrophobicContact CB-CE2 4.04Å; F378-F380 HydrophobicContact CB-CZ 4.3Å; F378-F380 HydrophobicContact CD2-CE2 4.36Å; F378-F380 AromaticContact CD2-CZ 3.97Å; F378-F380 HydrophobicContact CD2-CZ 3.97Å; F378-F380 PolarHBondContact O-N 3.07Å; F378-S499 WeakPolarHBondContact CE2-OG 3.33Å
379	D	87.1	Confident	85.6	Confident	101 Å²	101	60 Å²	60	54%	0.54	35%	0.35	S	S	.	.			trans	-82.6	92.5	161.3	-178	-1	0	0	0	109.7	A381 A382	D379-A381 PolarHBondContact O-N 2.95Å; D379-A381 WeakPolarHBondContact OD1-CB 3.43Å; D379-A381 PolarHBondContact OD1-N 2.99Å; D379-A382 HydrophobicContact CB-CB 4.15Å; D379-A382 PolarHBondContact O-N 3.33Å; D379-A382 PolarHBondContact OD1-N 3.16Å; D379-A382 WeakPolarHBondContact OD2-CB 3.32Å
380	F	86.9	Confident	86.2	Confident	37 Å²	37	61.9 Å²	61.9	16%	0.162	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-22.1	177.5	-77.1	-76.4	0	0	0	113.4	S364 K367 R375 F378 L383	S364-F380 VanDerWaalsContact O-CE1 3.32Å; S364-F380 WeakPolarHBondContact O-CE1 3.46Å; K367-F380 HydrophobicContact CD-CD1 4.35Å; K367-F380 PolarHBondContact NZ-O 2.94Å; R375-F380 HydrophobicContact CG-CE2 4.06Å; R375-F380 HydrophobicContact CG-CZ 4.04Å; F378-F380 HydrophobicContact CB-CD2 4.3Å; F378-F380 HydrophobicContact CB-CE2 4.04Å; F378-F380 HydrophobicContact CB-CZ 4.3Å; F378-F380 HydrophobicContact CD2-CE2 4.36Å; F378-F380 AromaticContact CD2-CZ 3.97Å; F378-F380 HydrophobicContact CD2-CZ 3.97Å; F378-F380 PolarHBondContact O-N 3.07Å; F380-L383 HydrophobicContact CD1-CD1 4.39Å; F380-L383 PolarHBondContact O-N 3.14Å
381	A	87.5	Confident	87	Confident	74 Å²	74	59.8 Å²	59.8	61%	0.612	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-30.9	177.7	0	0	0	0	0	111.6	D379 L383	D379-A381 PolarHBondContact O-N 2.95Å; D379-A381 WeakPolarHBondContact OD1-CB 3.43Å; D379-A381 PolarHBondContact OD1-N 2.99Å; A381-L383 VanDerWaalsContact C-N 3.34Å
382	A	89.1	Confident	87.7	Confident	77 Å²	77	55.4 Å²	55.4	64%	0.636	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-16.4	174.9	0	0	0	0	0	114	D379	D379-A382 HydrophobicContact CB-CB 4.15Å; D379-A382 PolarHBondContact O-N 3.33Å; D379-A382 PolarHBondContact OD1-N 3.16Å; D379-A382 WeakPolarHBondContact OD2-CB 3.32Å
383	L	91.2	Very high	88.7	Confident	47 Å²	47	51.9 Å²	51.9	25%	0.246	30%	0.299	C	S	.	.	S	Bend	trans	-88.6	139.6	-178.8	-64	179.3	0	0	0	111.9	K367 T369 F380 A381	K367-L383 HydrophobicContact CB-CB 4.18Å; K367-L383 HydrophobicContact CB-CD1 4.39Å; K367-L383 HydrophobicContact CD-CB 3.67Å; K367-L383 WeakPolarHBondContact CD-O 3.31Å; K367-L383 WeakPolarHBondContact CE-O 3.46Å; K367-L383 HydrophobicContact CG-CB 4.48Å; K367-L383 PolarHBondContact NZ-O 2.73Å; T369-L383 HydrophobicContact CG2-CD1 3.97Å; F380-L383 HydrophobicContact CD1-CD1 4.39Å; F380-L383 PolarHBondContact O-N 3.14Å; A381-L383 VanDerWaalsContact C-N 3.34Å
384	Q	92.9	Very high	90.1	Very high	165 Å²	165	47.7 Å²	47.7	77%	0.771	27%	0.271	S	S	*	.	P	Polyproline II helix	trans	-76.8	134.2	174.3	-167	179	11.7	0	0	111.4	I386	Q384-I386 PolarHBondContact O-N 2.86Å
385	S	96.2	Very high	91.3	Very high	3 Å²	3	43 Å²	43	2%	0.021	25%	0.25	C	C	.	.	B	Isolated β-bridge	trans	-60.2	128.7	167.5	-62.1	0	0	0	0	110.5	E356 Q362 K367 Q387	E356-S385 VanDerWaalsContact OE1-CB 3.27Å; E356-S385 WeakPolarHBondContact OE1-CB 3.43Å; E356-S385 PolarHBondContact OE1-OG 3.05Å; E356-S385 PolarHBondContact OE2-OG 3.2Å; Q362-S385 PolarHBondContact NE2-OG 2.82Å; Q362-S385 PolarHBondContact O-OG 2.96Å; Q362-S385 VanDerWaalsContact O-OG 3.09Å; K367-S385 VanDerWaalsContact CE-OG 3.27Å; K367-S385 WeakPolarHBondContact CE-OG 3.39Å; S385-Q387 PolarHBondContact O-N 3.2Å; S385-Q387 VanDerWaalsContact O-N 3.14Å
386	I	97.7	Very high	92.5	Very high	11 Å²	11	42.2 Å²	42.2	6%	0.056	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-59.8	123.7	175.5	-63.3	165.5	0	0	0	108	A235 V339 R342 Y366 Q384 L389 F502 L503	A235-I386 HydrophobicContact CB-CD1 4.39Å; V339-I386 HydrophobicContact CB-CG2 3.87Å; V339-I386 HydrophobicContact CG1-CB 4.29Å; V339-I386 HydrophobicContact CG1-CG2 3.8Å; V339-I386 WeakPolarHBondContact CG1-O 3.3Å; V339-I386 HydrophobicContact CG2-CG2 4.22Å; R342-I386 PolarHBondContact NE-O 2.98Å; R342-I386 PolarHBondContact NH2-O 2.98Å; Y366-I386 VanDerWaalsContact O-CB 3.31Å; Y366-I386 WeakPolarHBondContact O-CB 3.48Å; Y366-I386 WeakPolarHBondContact O-CD1 3.4Å; Y366-I386 WeakPolarHBondContact O-CG1 3.31Å; Y366-I386 PolarHBondContact O-N 2.84Å; Q384-I386 PolarHBondContact O-N 2.86Å; I386-L389 HydrophobicContact CG2-CD2 3.8Å; I386-F502 HydrophobicContact CD1-CB 4.13Å; I386-F502 HydrophobicContact CD1-CD2 4.38Å; I386-F502 HydrophobicContact CD1-CG 4.39Å; I386-L503 HydrophobicContact CD1-CD1 4.02Å; I386-L503 HydrophobicContact CD1-CD2 3.91Å; I386-L503 HydrophobicContact CD1-CG 3.82Å; I386-L503 HydrophobicContact CG1-CD1 4.19Å; I386-L503 HydrophobicContact CG1-CD2 4.35Å; I386-L503 HydrophobicContact CG1-CG 4.45Å; I386-L503 HydrophobicContact CG2-CD2 3.97Å
387	Q	98.1	Very high	93.6	Very high	27 Å²	27	42 Å²	42	13%	0.126	23%	0.234	C	C	.	.			trans	-116.7	-93.8	173.8	-65.5	-66.2	-18.1	0	0	107.9	S299 V338 V339 S385	S299-Q387 PolarHBondContact O-NE2 3.32Å; S299-Q387 VanDerWaalsContact O-NE2 3.14Å; V338-Q387 CarbonylContact C-O 3.58Å; V338-Q387 WeakPolarHBondContact CA-O 3.45Å; V338-Q387 WeakPolarHBondContact CG1-O 3.47Å; V339-Q387 PolarHBondContact N-O 2.84Å; S385-Q387 PolarHBondContact O-N 3.2Å; S385-Q387 VanDerWaalsContact O-N 3.14Å
388	E	98.1	Very high	94.4	Very high	90 Å²	90	37.9 Å²	37.9	42%	0.421	21%	0.209	S	C	.	.	B	Isolated β-bridge	trans	-65.9	145	173.2	-59.2	-170.7	174.3	0	0	111.7	G421 R423	E388-G421 WeakPolarHBondContact OE1-CA 3.21Å; E388-G421 VanDerWaalsContact OE2-CA 3.32Å; E388-G421 WeakPolarHBondContact OE2-CA 3.38Å; E388-R423 IonicContact OE2-CZ 3.22Å; E388-R423 IonicContact OE2-NH1 3.06Å; E388-R423 PolarHBondContact OE2-NH1 2.69Å; E388-R423 IonicContact OE2-NH2 2.98Å
389	L	98.2	Very high	94.9	Very high	3 Å²	3	38 Å²	38	2%	0.016	21%	0.213	C	C	.	.	P	Polyproline II helix	trans	-99.3	147.9	176.4	-71.2	175.5	0	0	0	110.8	Q233 V339 I386 W418 G420 R423 L503	Q233-L389 HydrophobicContact CB-CD1 3.78Å; Q233-L389 HydrophobicContact CG-CD1 3.95Å; V339-L389 HydrophobicContact CB-CD1 4.11Å; V339-L389 HydrophobicContact CB-CD2 3.98Å; V339-L389 HydrophobicContact CB-CG 3.94Å; V339-L389 HydrophobicContact CG2-CD1 4.19Å; V339-L389 HydrophobicContact CG2-CD2 4.03Å; V339-L389 HydrophobicContact CG2-CG 4.34Å; I386-L389 HydrophobicContact CG2-CD2 3.8Å; L389-W418 HydrophobicContact CB-CH2 4.07Å; L389-W418 HydrophobicContact CB-CZ3 3.62Å; L389-W418 HydrophobicContact CD1-CH2 4.07Å; L389-W418 HydrophobicContact CD1-CZ3 3.69Å; L389-W418 HydrophobicContact CG-CZ3 4.24Å; L389-G420 VanDerWaalsContact O-CA 3.25Å; L389-G420 WeakPolarHBondContact O-CA 3.3Å; L389-G420 PolarHBondContact O-N 3.46Å; L389-R423 PolarHBondContact O-NH2 3.28Å; L389-R423 VanDerWaalsContact O-NH2 3.12Å; L389-L503 HydrophobicContact CD2-CD2 3.35Å
390	P	98.2	Very high	95.1	Very high	47 Å²	47	38.5 Å²	38.5	31%	0.305	22%	0.216	S	C	.	.	P	Polyproline II helix	trans	-68.4	166.2	174.1	32	-36.7	0	0	0	111.2	T392 N505	P390-T392 PolarHBondContact O-N 2.98Å; P390-N505 HydrophobicContact CG-CB 4.1Å
391	V	98.7	Very high	95.2	Very high	1 Å²	1	39 Å²	39	1%	0.006	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-55.6	137.1	171.3	62.5	0	0	0	0	110.7	W418 A481 D483 N487 Q489 N505	V391-W418 CarbonylContact C-O 3.6Å; V391-W418 WeakPolarHBondContact CA-O 3.3Å; V391-A481 HydrophobicContact CG2-CB 3.8Å; V391-D483 HydrophobicContact CB-CB 4.2Å; V391-D483 HydrophobicContact CG2-CB 4.25Å; V391-N487 HydrophobicContact CG1-CB 4.13Å; V391-Q489 HydrophobicContact CG1-CG 4.11Å; V391-Q489 WeakPolarHBondContact O-CG 3.38Å; V391-N505 VanDerWaalsContact O-CB 3.29Å; V391-N505 WeakPolarHBondContact O-CB 3.32Å; V391-N505 PolarHBondContact O-ND2 2.87Å
392	T	98.7	Very high	95.4	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.006	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	156.9	179.7	-167.7	0	0	0	0	111.7	Q233 P390 A417 W418	Q233-T392 VanDerWaalsContact OE1-CG2 3.27Å; P390-T392 PolarHBondContact O-N 2.98Å; T392-A417 CarbonylContact O-C 3.59Å; T392-A417 VanDerWaalsContact O-CA 3.26Å; T392-A417 WeakPolarHBondContact O-CA 3.32Å; T392-W418 HydrophobicContact CG2-CB 4.39Å; T392-W418 HydrophobicContact CG2-CE3 4.35Å; T392-W418 PolarHBondContact N-O 3.4Å; T392-W418 PolarHBondContact O-N 3.11Å
393	S	98.8	Very high	95.7	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	155.9	169.7	69.9	0	0	0	0	110.5	R238 Y416 C479 Q489	R238-S393 PolarHBondContact NH1-O 3.09Å; S393-Y416 VanDerWaalsContact CA-O 3.28Å; S393-Y416 WeakPolarHBondContact CA-O 3.11Å; S393-Y416 WeakPolarHBondContact CB-O 3.26Å; S393-C479 PolarHBondContact OG-SG 2.8Å; S393-Q489 PolarHBondContact OG-OE1 3Å
394	A	98.7	Very high	95.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	154	169.5	0	0	0	0	0	111.5	A252 G415 Y416 W460 H508	A252-A394 HydrophobicContact CB-CB 3.64Å; A394-G415 WeakPolarHBondContact O-CA 3.45Å; A394-Y416 HydrophobicContact CB-CD1 4.43Å; A394-Y416 HydrophobicContact CB-CE1 3.71Å; A394-Y416 HydrophobicContact CB-CE2 3.99Å; A394-Y416 VanDerWaalsContact CB-CZ 3.45Å; A394-Y416 PolarHBondContact N-O 3.28Å; A394-Y416 VanDerWaalsContact N-O 3.12Å; A394-Y416 PolarHBondContact O-N 2.95Å; A394-W460 WeakPolarHBondContact O-CZ2 3.34Å; A394-H508 HydrophobicContact CB-CB 4.4Å
395	I	98.5	Very high	96	Very high	5 Å²	5	31.2 Å²	31.2	3%	0.026	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	125.6	172.9	-55.6	173.5	0	0	0	107.1	Y397 V413 W460 I477 C479 H508 V510	I395-Y397 WeakPolarHBondContact CG2-O 3.46Å; I395-V413 HydrophobicContact CD1-CG1 4.41Å; I395-V413 HydrophobicContact CG1-CG1 4.29Å; I395-V413 HydrophobicContact CG2-CG1 3.65Å; I395-W460 HydrophobicContact CG1-CH2 4.06Å; I395-W460 HydrophobicContact CG1-CZ2 4.34Å; I395-I477 HydrophobicContact CD1-CB 4.14Å; I395-I477 HydrophobicContact CD1-CG2 3.76Å; I395-I477 WeakPolarHBondContact CD1-O 3.26Å; I395-C479 HydrophobicContact CD1-CB 4.31Å; I395-C479 HydrophobicContact CG1-CB 3.92Å; I395-H508 WeakPolarHBondContact CB-ND1 3.28Å; I395-H508 PolarHBondContact N-ND1 3.41Å; I395-H508 PolarHBondContact O-CE1 2.93Å; I395-H508 VanDerWaalsContact O-CE1 3.27Å; I395-V510 HydrophobicContact CB-CB 4.48Å; I395-V510 HydrophobicContact CB-CG2 3.65Å; I395-V510 HydrophobicContact CD1-CB 4.07Å; I395-V510 HydrophobicContact CD1-CG2 3.99Å; I395-V510 HydrophobicContact CG1-CG2 4.34Å; I395-V510 HydrophobicContact CG2-CB 4.32Å; I395-V510 HydrophobicContact CG2-CG2 3.82Å
396	C	96.6	Very high	95.8	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.007	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	-26.8	179.7	-71.2	0	0	0	0	112.1	P170 A174 E414	P170-C396 HydrophobicContact CB-CB 4.46Å; P170-C396 WeakPolarHBondContact O-CB 3.23Å; P170-C396 PolarHBondContact O-SG 3.45Å; A174-C396 HydrophobicContact CB-CB 3.58Å; C396-E414 PolarHBondContact N-O 3.3Å
397	Y	95.6	Very high	95.6	Very high	76 Å²	76	35.1 Å²	35.1	30%	0.298	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	136.1	174.3	177.4	-92.6	0	0	0	109.2	L171 I395 K412 V413 E414	L171-Y397 HydrophobicContact CD1-CD2 4.01Å; I395-Y397 WeakPolarHBondContact CG2-O 3.46Å; Y397-K412 WeakPolarHBondContact CD1-O 3.41Å; Y397-K412 HydrophobicContact CE1-CB 4.19Å; Y397-K412 HydrophobicContact CE1-CD 4.48Å; Y397-K412 VanDerWaalsContact CE1-O 3.24Å; Y397-K412 WeakPolarHBondContact CE1-O 3.41Å; Y397-V413 CarbonylContact O-C 3.21Å; Y397-V413 VanDerWaalsContact O-CA 3.28Å; Y397-V413 WeakPolarHBondContact O-CA 3.39Å; Y397-V413 WeakPolarHBondContact O-CG1 3.36Å; Y397-E414 PolarHBondContact N-O 3.03Å; Y397-E414 PolarHBondContact O-N 2.88Å
398	P	95.8	Very high	95.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	22%	0.221	C	C	.	.	S	Bend	cis	-68	163.2	-6.1	29.1	-34.4	0	0	0	112.5	C402 F404 I477 V510 I512	P398-C402 HydrophobicContact CB-CB 4.07Å; P398-F404 HydrophobicContact CB-CE2 3.91Å; P398-F404 HydrophobicContact CB-CZ 3.87Å; P398-F404 HydrophobicContact CG-CE2 4.01Å; P398-F404 HydrophobicContact CG-CZ 4.1Å; P398-I477 HydrophobicContact CG-CD1 4.36Å; P398-V510 WeakPolarHBondContact O-CG1 3.28Å; P398-I512 HydrophobicContact CB-CG2 4.16Å; P398-I512 HydrophobicContact CG-CG2 3.5Å; P398-I512 VanDerWaalsContact CG-CG2 3.5Å
399	S	90.6	Very high	95.3	Very high	31 Å²	31	39.5 Å²	39.5	22%	0.217	24%	0.237	C	C	.	.	P	Polyproline II helix	trans	-68.5	150.1	171.3	-61.4	0	0	0	0	110.9	G401 C402	S399-G401 PolarHBondContact O-N 2.92Å; S399-C402 WeakPolarHBondContact O-CB 3.41Å; S399-C402 PolarHBondContact O-N 2.75Å; S399-C402 VanDerWaalsContact O-N 3.08Å
400	N	90.5	Very high	95.3	Very high	111 Å²	111	45.4 Å²	45.4	59%	0.594	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	129.6	174.1	-171	57.2	0	0	0	111.2	V510 K511	N400-V510 HydrophobicContact CB-CG1 4.41Å; N400-K511 WeakPolarHBondContact OD1-CB 3.41Å; N400-K511 PolarHBondContact OD1-N 3.1Å
401	G	90.6	Very high	95.2	Very high	47 Å²	47	43.3 Å²	43.3	49%	0.485	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	5.1	-175.3	0	0	0	0	0	115	S399 K511	S399-G401 PolarHBondContact O-N 2.92Å; G401-K511 PolarHBondContact N-O 3.44Å
402	C	91.1	Very high	95.2	Very high	15 Å²	15	48 Å²	48	10%	0.101	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	139.4	177.2	-174.8	0	0	0	0	111.5	Y27 P398 S399 I512 C513	Y27-C402 PolarHBondContact OH-SG 3.4Å; P398-C402 HydrophobicContact CB-CB 4.07Å; S399-C402 WeakPolarHBondContact O-CB 3.41Å; S399-C402 PolarHBondContact O-N 2.75Å; S399-C402 VanDerWaalsContact O-N 3.08Å; C402-I512 CarbonylContact O-C 3.6Å; C402-I512 WeakPolarHBondContact O-CA 3.46Å; C402-C513 PolarHBondContact O-N 3.38Å
403	T	94.9	Very high	95.1	Very high	78 Å²	78	47.9 Å²	47.9	48%	0.479	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131.4	178.1	-58.2	0	0	0	0	110.9	C513 E515	T403-C513 CarbonylContact C-O 3.26Å; T403-C513 WeakPolarHBondContact CA-O 3.23Å; T403-C513 HydrophobicContact CG2-CB 4.25Å; T403-E515 HydrophobicContact CG2-CG 3.62Å
404	F	94.9	Very high	95.1	Very high	28 Å²	28	49.5 Å²	49.5	12%	0.123	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	152.8	174.1	-72.8	-94.7	0	0	0	111.2	P398 T408 V411 I512 C513 V514 E515	P398-F404 HydrophobicContact CB-CE2 3.91Å; P398-F404 HydrophobicContact CB-CZ 3.87Å; P398-F404 HydrophobicContact CG-CE2 4.01Å; P398-F404 HydrophobicContact CG-CZ 4.1Å; F404-T408 HydrophobicContact CB-CG2 4.19Å; F404-T408 HydrophobicContact CD1-CG2 4.36Å; F404-T408 HydrophobicContact CG-CG2 4.43Å; F404-V411 HydrophobicContact CD1-CG1 4.11Å; F404-V411 HydrophobicContact CD2-CG1 4.26Å; F404-V411 HydrophobicContact CE1-CB 4.43Å; F404-V411 HydrophobicContact CE1-CG1 3.93Å; F404-V411 HydrophobicContact CE2-CG1 4.09Å; F404-V411 HydrophobicContact CG-CG1 4.27Å; F404-V411 HydrophobicContact CZ-CB 4.25Å; F404-V411 HydrophobicContact CZ-CG1 3.92Å; F404-I512 HydrophobicContact CD2-CB 4.35Å; F404-I512 HydrophobicContact CD2-CD1 3.95Å; F404-I512 HydrophobicContact CE2-CB 4.26Å; F404-I512 HydrophobicContact CE2-CD1 3.92Å; F404-I512 HydrophobicContact CE2-CG2 4.17Å; F404-C513 PolarHBondContact N-O 3Å; F404-V514 HydrophobicContact CB-CG2 4.37Å; F404-V514 WeakPolarHBondContact O-CA 3.5Å; F404-E515 PolarHBondContact O-N 3.42Å
405	P	94.8	Very high	95.1	Very high	80 Å²	80	49.5 Å²	49.5	52%	0.519	28%	0.278	S	S	.	.			trans	-58.7	154.3	178.5	-24.5	34.2	0	0	0	113.5	G407 T408 V514	P405-G407 PolarHBondContact O-N 2.82Å; P405-T408 PolarHBondContact O-N 2.72Å; P405-T408 PolarHBondContact O-OG1 3.09Å; P405-V514 WeakPolarHBondContact O-CG1 3.33Å
406	S	93.5	Very high	95.1	Very high	49 Å²	49	49.2 Å²	49.2	34%	0.343	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	138	176.4	-162.3	0	0	0	0	111.9	E515 R517	S406-E515 WeakPolarHBondContact CA-O 3.43Å; S406-E515 VanDerWaalsContact CB-O 3.23Å; S406-E515 WeakPolarHBondContact CB-O 3.45Å; S406-E515 PolarHBondContact OG-O 2.73Å; S406-R517 WeakPolarHBondContact OG-CA 3.43Å; S406-R517 WeakPolarHBondContact OG-CG 3.33Å; S406-R517 PolarHBondContact OG-N 3.06Å
407	G	92.8	Very high	95.2	Very high	47 Å²	47	49.2 Å²	49.2	49%	0.485	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	87	-0.5	-179.9	0	0	0	0	0	115.5	P405 K409	P405-G407 PolarHBondContact O-N 2.82Å; G407-K409 WeakPolarHBondContact O-CG 3.45Å; G407-K409 PolarHBondContact O-N 3.09Å
408	T	95.6	Very high	95.3	Very high	35 Å²	35	45.7 Å²	45.7	22%	0.215	26%	0.263	C	S	.	.			trans	-55.3	123.6	169.1	-68.2	0	0	0	0	110.6	F404 P405 E410 V411 L466	F404-T408 HydrophobicContact CB-CG2 4.19Å; F404-T408 HydrophobicContact CD1-CG2 4.36Å; F404-T408 HydrophobicContact CG-CG2 4.43Å; P405-T408 PolarHBondContact O-N 2.72Å; P405-T408 PolarHBondContact O-OG1 3.09Å; T408-E410 VanDerWaalsContact CG2-O 3.28Å; T408-E410 WeakPolarHBondContact CG2-O 2.91Å; T408-V411 HydrophobicContact CG2-CG1 3.76Å; T408-L466 HydrophobicContact CG2-CD1 4.08Å
409	K	95.2	Very high	95.5	Very high	174 Å²	174	45.7 Å²	45.7	76%	0.757	26%	0.263	S	S	*	.			trans	-108.5	-20.3	179.9	-63.4	-173.7	-179	179.5	0	113.7	G407 P465 L466	G407-K409 WeakPolarHBondContact O-CG 3.45Å; G407-K409 PolarHBondContact O-N 3.09Å; K409-P465 CarbonylContact O-C 3.51Å; K409-P465 WeakPolarHBondContact O-CA 3.46Å; K409-L466 PolarHBondContact O-N 3.15Å
410	E	96.9	Very high	95.8	Very high	126 Å²	126	44.2 Å²	44.2	59%	0.589	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.4	151.6	179.6	63.5	-176.2	-162.4	0	0	109.3	T408 V463 V464	T408-E410 VanDerWaalsContact CG2-O 3.28Å; T408-E410 WeakPolarHBondContact CG2-O 2.91Å; E410-V463 HydrophobicContact CB-CG1 3.98Å; E410-V463 HydrophobicContact CG-CG1 3.97Å; E410-V464 CarbonylContact C-O 3.54Å; E410-V464 VanDerWaalsContact CA-O 3.23Å; E410-V464 WeakPolarHBondContact CA-O 3.24Å
411	V	97	Very high	96.2	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.018	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	140.4	-179.7	-65.5	0	0	0	0	110.2	F404 T408 V413 V464 L466 I477 I512	F404-V411 HydrophobicContact CD1-CG1 4.11Å; F404-V411 HydrophobicContact CD2-CG1 4.26Å; F404-V411 HydrophobicContact CE1-CB 4.43Å; F404-V411 HydrophobicContact CE1-CG1 3.93Å; F404-V411 HydrophobicContact CE2-CG1 4.09Å; F404-V411 HydrophobicContact CG-CG1 4.27Å; F404-V411 HydrophobicContact CZ-CB 4.25Å; F404-V411 HydrophobicContact CZ-CG1 3.92Å; T408-V411 HydrophobicContact CG2-CG1 3.76Å; V411-V413 HydrophobicContact CG2-CG2 3.95Å; V411-V464 HydrophobicContact CG2-CB 4.46Å; V411-V464 PolarHBondContact N-O 3Å; V411-V464 PolarHBondContact O-N 3.44Å; V411-L466 HydrophobicContact CG1-CD1 4.02Å; V411-L466 HydrophobicContact CG1-CD2 4.13Å; V411-L466 HydrophobicContact CG1-CG 4.24Å; V411-L466 HydrophobicContact CG2-CD2 3.73Å; V411-L466 HydrophobicContact CG2-CG 4.5Å; V411-I477 HydrophobicContact CG2-CD1 3.64Å; V411-I512 HydrophobicContact CG1-CD1 3.94Å; V411-I512 HydrophobicContact CG2-CD1 4.31Å
412	K	97.3	Very high	96.5	Very high	99 Å²	99	37.3 Å²	37.3	43%	0.43	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	130.4	167.6	-173.6	-168.3	-173.5	-151.4	0	108.2	Y397 E414 A462	Y397-K412 WeakPolarHBondContact CD1-O 3.41Å; Y397-K412 HydrophobicContact CE1-CB 4.19Å; Y397-K412 HydrophobicContact CE1-CD 4.48Å; Y397-K412 VanDerWaalsContact CE1-O 3.24Å; Y397-K412 WeakPolarHBondContact CE1-O 3.41Å; K412-E414 HydrophobicContact CD-CG 4.43Å; K412-E414 WeakPolarHBondContact CE-OE1 3.41Å; K412-E414 WeakPolarHBondContact CE-OE2 3.31Å; K412-E414 HydrophobicContact CG-CG 4.32Å; K412-E414 IonicContact NZ-OE1 2.9Å; K412-E414 PolarHBondContact NZ-OE1 2.81Å; K412-E414 IonicContact NZ-OE2 2.69Å; K412-E414 PolarHBondContact NZ-OE2 3.12Å; K412-A462 WeakPolarHBondContact CA-O 3.45Å
413	V	98.1	Very high	96.8	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	131.9	177.9	-170.1	0	0	0	0	108.2	I395 Y397 V411 V430 W460 S461 A462 V464 I477	I395-V413 HydrophobicContact CD1-CG1 4.41Å; I395-V413 HydrophobicContact CG1-CG1 4.29Å; I395-V413 HydrophobicContact CG2-CG1 3.65Å; Y397-V413 CarbonylContact O-C 3.21Å; Y397-V413 VanDerWaalsContact O-CA 3.28Å; Y397-V413 WeakPolarHBondContact O-CA 3.39Å; Y397-V413 WeakPolarHBondContact O-CG1 3.36Å; V411-V413 HydrophobicContact CG2-CG2 3.95Å; V413-V430 HydrophobicContact CB-CG1 4.45Å; V413-V430 HydrophobicContact CG1-CG1 4.21Å; V413-V430 HydrophobicContact CG2-CG1 4.48Å; V413-W460 HydrophobicContact CB-CZ3 4.2Å; V413-W460 HydrophobicContact CG1-CH2 3.71Å; V413-W460 HydrophobicContact CG1-CZ3 3.78Å; V413-S461 CarbonylContact O-C 3.52Å; V413-S461 VanDerWaalsContact O-CA 3.23Å; V413-S461 WeakPolarHBondContact O-CA 3.47Å; V413-A462 PolarHBondContact N-O 3.27Å; V413-A462 PolarHBondContact O-N 2.86Å; V413-V464 HydrophobicContact CB-CG2 4.22Å; V413-V464 HydrophobicContact CG2-CB 4.11Å; V413-V464 HydrophobicContact CG2-CG2 3.62Å; V413-I477 HydrophobicContact CG1-CG2 4.22Å; V413-I477 HydrophobicContact CG2-CD1 4.07Å; V413-I477 HydrophobicContact CG2-CG2 4.1Å
414	E	98.3	Very high	96.9	Very high	33 Å²	33	36.2 Å²	36.2	15%	0.154	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	152.6	178.6	-56.1	-173.3	113.8	0	0	110.9	A174 C396 Y397 K412 K444 W460	A174-E414 HydrophobicContact CB-CB 4.22Å; C396-E414 PolarHBondContact N-O 3.3Å; Y397-E414 PolarHBondContact N-O 3.03Å; Y397-E414 PolarHBondContact O-N 2.88Å; K412-E414 HydrophobicContact CD-CG 4.43Å; K412-E414 WeakPolarHBondContact CE-OE1 3.41Å; K412-E414 WeakPolarHBondContact CE-OE2 3.31Å; K412-E414 HydrophobicContact CG-CG 4.32Å; K412-E414 IonicContact NZ-OE1 2.9Å; K412-E414 PolarHBondContact NZ-OE1 2.81Å; K412-E414 IonicContact NZ-OE2 2.69Å; K412-E414 PolarHBondContact NZ-OE2 3.12Å; E414-K444 IonicContact OE1-NZ 3.7Å; E414-K444 PolarHBondContact OE1-NZ 3.14Å; E414-W460 VanDerWaalsContact CA-O 3.32Å; E414-W460 WeakPolarHBondContact CA-O 3.49Å
415	G	98.5	Very high	97	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-173.8	-168.3	-178.1	0	0	0	0	0	113.7	A394 Q459 W460	A394-G415 WeakPolarHBondContact O-CA 3.45Å; G415-Q459 CarbonylContact O-C 3.51Å; G415-Q459 WeakPolarHBondContact O-CA 3.23Å; G415-W460 VanDerWaalsContact C-NE1 3.29Å; G415-W460 PolarHBondContact N-O 3.46Å; G415-W460 VanDerWaalsContact N-O 3.14Å; G415-W460 PolarHBondContact O-N 2.64Å
416	Y	98.6	Very high	97.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	159.7	174	66	-102.7	0	0	0	111.4	L173 N237 A252 I255 S393 A394 W457 V458 W460	L173-Y416 HydrophobicContact CB-CD1 4.21Å; L173-Y416 HydrophobicContact CD1-CD1 4.04Å; L173-Y416 HydrophobicContact CD1-CE1 3.66Å; N237-Y416 PolarHBondContact ND2-OH 3.14Å; N237-Y416 VanDerWaalsContact ND2-OH 3.09Å; A252-Y416 HydrophobicContact CB-CE1 4.47Å; A252-Y416 WeakPolarHBondContact O-CE1 3.43Å; A252-Y416 PolarHBondContact O-OH 3.05Å; I255-Y416 HydrophobicContact CD1-CD2 4.23Å; I255-Y416 HydrophobicContact CD1-CE2 3.95Å; I255-Y416 HydrophobicContact CG2-CD1 4.5Å; I255-Y416 HydrophobicContact CG2-CE1 3.82Å; I255-Y416 HydrophobicContact CG2-CE2 4.15Å; S393-Y416 VanDerWaalsContact CA-O 3.28Å; S393-Y416 WeakPolarHBondContact CA-O 3.11Å; S393-Y416 WeakPolarHBondContact CB-O 3.26Å; A394-Y416 HydrophobicContact CB-CD1 4.43Å; A394-Y416 HydrophobicContact CB-CE1 3.71Å; A394-Y416 HydrophobicContact CB-CE2 3.99Å; A394-Y416 VanDerWaalsContact CB-CZ 3.45Å; A394-Y416 PolarHBondContact N-O 3.28Å; A394-Y416 VanDerWaalsContact N-O 3.12Å; A394-Y416 PolarHBondContact O-N 2.95Å; Y416-W457 HydrophobicContact CD1-CZ3 4.33Å; Y416-W457 HydrophobicContact CG-CE3 4.11Å; Y416-W457 HydrophobicContact CG-CZ3 4.32Å; Y416-V458 CarbonylContact C-O 3.46Å; Y416-V458 VanDerWaalsContact CA-O 3.32Å; Y416-V458 WeakPolarHBondContact CA-O 3.47Å; Y416-W460 VanDerWaalsContact C-CD1 3.46Å; Y416-W460 PolarHBondContact O-NE1 3.32Å
417	A	98.7	Very high	97.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	147.7	165.2	0	0	0	0	0	110	T392 V425 V428 W457 V458 A481	T392-A417 CarbonylContact O-C 3.59Å; T392-A417 VanDerWaalsContact O-CA 3.26Å; T392-A417 WeakPolarHBondContact O-CA 3.32Å; A417-V425 HydrophobicContact CB-CG1 3.89Å; A417-V425 HydrophobicContact CB-CG2 4.06Å; A417-V428 HydrophobicContact CB-CG2 3.68Å; A417-W457 WeakPolarHBondContact O-CA 3.21Å; A417-W457 WeakPolarHBondContact O-CB 3.49Å; A417-V458 HydrophobicContact CB-CG2 4.03Å; A417-V458 PolarHBondContact N-O 2.88Å; A417-V458 PolarHBondContact O-N 3.02Å; A417-A481 HydrophobicContact CB-CB 3.84Å
418	W	98.6	Very high	97.6	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.008	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	157.3	-179.6	178.5	78.1	0	0	0	110.7	T231 Q233 L389 V391 T392 W455 W457	T231-W418 HydrophobicContact CG2-CD2 4.35Å; T231-W418 HydrophobicContact CG2-CG 4.19Å; Q233-W418 HydrophobicContact CB-CZ3 4.25Å; Q233-W418 VanDerWaalsContact OE1-CE3 3.23Å; L389-W418 HydrophobicContact CB-CH2 4.07Å; L389-W418 HydrophobicContact CB-CZ3 3.62Å; L389-W418 HydrophobicContact CD1-CH2 4.07Å; L389-W418 HydrophobicContact CD1-CZ3 3.69Å; L389-W418 HydrophobicContact CG-CZ3 4.24Å; V391-W418 CarbonylContact C-O 3.6Å; V391-W418 WeakPolarHBondContact CA-O 3.3Å; T392-W418 HydrophobicContact CG2-CB 4.39Å; T392-W418 HydrophobicContact CG2-CE3 4.35Å; T392-W418 PolarHBondContact N-O 3.4Å; T392-W418 PolarHBondContact O-N 3.11Å; W418-W455 PolarHBondContact NE1-O 2.87Å; W418-W457 HydrophobicContact CB-CB 3.93Å; W418-W457 HydrophobicContact CG-CB 4.35Å
419	S	98.5	Very high	97.7	Very high	1 Å²	1	35 Å²	35	1%	0.007	16%	0.161	C	C	.	.			trans	-138.4	144.2	171.2	179.3	0	0	0	0	110.8	R423 D483	S419-R423 PolarHBondContact OG-NE 3.18Å; S419-D483 PolarHBondContact OG-OD2 3.48Å
420	G	98.3	Very high	97.9	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-66.2	177.4	172	0	0	0	0	0	113.2	G337 L389 G422 R423	G337-G420 CarbonylContact O-C 3.55Å; G337-G420 WeakPolarHBondContact O-CA 3.41Å; L389-G420 VanDerWaalsContact O-CA 3.25Å; L389-G420 WeakPolarHBondContact O-CA 3.3Å; L389-G420 PolarHBondContact O-N 3.46Å; G420-G422 PolarHBondContact O-N 3.21Å; G420-R423 PolarHBondContact O-N 2.79Å; G420-R423 PolarHBondContact O-NE 3.05Å; G420-R423 PolarHBondContact O-NH1 3.14Å; G420-R423 PolarHBondContact O-NH2 2.81Å; G420-R423 VanDerWaalsContact O-NH2 3.11Å
421	G	97.4	Very high	98	Very high	14 Å²	14	20.8 Å²	20.8	14%	0.144	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	12.6	176.3	0	0	0	0	0	115.7	G337 E388 R423	G337-G421 PolarHBondContact O-N 3.46Å; E388-G421 WeakPolarHBondContact OE1-CA 3.21Å; E388-G421 VanDerWaalsContact OE2-CA 3.32Å; E388-G421 WeakPolarHBondContact OE2-CA 3.38Å; G421-R423 PolarHBondContact O-N 3.24Å
422	G	97.3	Very high	98	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.9	15.8	179.6	0	0	0	0	0	113.4	G420 F452 R453 R454 W455	G420-G422 PolarHBondContact O-N 3.21Å; G422-F452 CarbonylContact O-C 3.48Å; G422-F452 VanDerWaalsContact O-C 3.26Å; G422-F452 WeakPolarHBondContact O-CA 3.43Å; G422-R453 PolarHBondContact O-N 3.34Å; G422-R454 WeakPolarHBondContact O-CB 3.42Å; G422-R454 PolarHBondContact O-N 2.6Å; G422-W455 VanDerWaalsContact CA-CE3 3.45Å
423	R	97.7	Very high	97.9	Very high	39 Å²	39	16.6 Å²	16.6	15%	0.147	8%	0.08	C	C	.	.			trans	-73.8	134.2	176.7	-65.3	179.9	-69	-80.7	-0.9	110.2	E388 L389 S419 G420 G421 D483 S485	E388-R423 IonicContact OE2-CZ 3.22Å; E388-R423 IonicContact OE2-NH1 3.06Å; E388-R423 PolarHBondContact OE2-NH1 2.69Å; E388-R423 IonicContact OE2-NH2 2.98Å; L389-R423 PolarHBondContact O-NH2 3.28Å; L389-R423 VanDerWaalsContact O-NH2 3.12Å; S419-R423 PolarHBondContact OG-NE 3.18Å; G420-R423 PolarHBondContact O-N 2.79Å; G420-R423 PolarHBondContact O-NE 3.05Å; G420-R423 PolarHBondContact O-NH1 3.14Å; G420-R423 PolarHBondContact O-NH2 2.81Å; G420-R423 VanDerWaalsContact O-NH2 3.11Å; G421-R423 PolarHBondContact O-N 3.24Å; R423-D483 HydrophobicContact CB-CB 4.09Å; R423-D483 VanDerWaalsContact CD-OD2 3.22Å; R423-D483 WeakPolarHBondContact CD-OD2 3.28Å; R423-D483 IonicContact NE-OD2 3.49Å; R423-D483 PolarHBondContact NE-OD2 2.74Å; R423-S485 WeakPolarHBondContact CD-OG 3.49Å
424	H	96.3	Very high	97.7	Very high	31 Å²	31	20.2 Å²	20.2	14%	0.144	10%	0.1	C	C	.	.			trans	-77.4	139.2	-178.4	-170.1	-152.4	0	0	0	110.9	V426 D446 R454 D483 S484	H424-V426 PolarHBondContact O-N 2.71Å; H424-D446 IonicContact CE1-OD2 3.36Å; H424-D446 PolarHBondContact CE1-OD2 2.88Å; H424-D446 VanDerWaalsContact CE1-OD2 3.3Å; H424-D446 IonicContact NE2-OD1 3.41Å; H424-D446 PolarHBondContact NE2-OD1 2.88Å; H424-D446 IonicContact NE2-OD2 3.3Å; H424-D446 PolarHBondContact NE2-OD2 2.99Å; H424-R454 HydrophobicContact CB-CB 4.37Å; H424-R454 HydrophobicContact CB-CG 3.7Å; H424-D483 CarbonylContact O-C 3.53Å; H424-D483 VanDerWaalsContact O-C 3.24Å; H424-D483 WeakPolarHBondContact O-CA 3.41Å; H424-S484 PolarHBondContact N-OG 3.19Å; H424-S484 PolarHBondContact O-N 2.98Å
425	V	97.6	Very high	97.6	Very high	5 Å²	5	19.4 Å²	19.4	3%	0.03	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	111.6	166.3	176.4	0	0	0	0	108.6	A417 V428 I443 V458 A481	A417-V425 HydrophobicContact CB-CG1 3.89Å; A417-V425 HydrophobicContact CB-CG2 4.06Å; V425-V428 HydrophobicContact CG1-CG2 3.8Å; V425-I443 HydrophobicContact CG1-CD1 4.41Å; V425-V458 HydrophobicContact CB-CG2 3.91Å; V425-V458 HydrophobicContact CG1-CG2 4.03Å; V425-V458 HydrophobicContact CG2-CG2 4.31Å; V425-A481 HydrophobicContact CG1-CB 4.16Å
426	V	96.5	Very high	97.5	Very high	69 Å²	69	25.8 Å²	25.8	42%	0.418	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-20.2	-175.9	-61.5	0	0	0	0	113	H424 T482 D483	H424-V426 PolarHBondContact O-N 2.71Å; V426-T482 HydrophobicContact CG2-CG2 4.11Å; V426-T482 WeakPolarHBondContact CG2-O 3.19Å; V426-T482 PolarHBondContact N-O 2.88Å; V426-D483 WeakPolarHBondContact CG2-O 3.33Å
427	R	98.1	Very high	97.4	Very high	114 Å²	114	28.9 Å²	28.9	43%	0.43	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	143.9	178.9	-170.1	170	64.3	-142.1	-0.9	111.3	E429 A481 T482	R427-E429 HydrophobicContact CG-CG 4.02Å; R427-E429 IonicContact CZ-OE2 3.58Å; R427-E429 VanDerWaalsContact NE-CD 3.26Å; R427-E429 IonicContact NE-OE1 2.7Å; R427-E429 IonicContact NE-OE2 2.68Å; R427-E429 PolarHBondContact NE-OE2 2.99Å; R427-E429 IonicContact NH2-OE2 3.94Å; R427-E429 PolarHBondContact NH2-OE2 3.08Å; R427-A481 WeakPolarHBondContact O-CA 3.34Å; R427-T482 PolarHBondContact N-O 2.88Å; R427-T482 PolarHBondContact O-N 3Å
428	V	98.8	Very high	97.3	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.006	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	135.4	165.4	-179	0	0	0	0	108.2	A417 V425 A441 W460 K480 A481	A417-V428 HydrophobicContact CB-CG2 3.68Å; V425-V428 HydrophobicContact CG1-CG2 3.8Å; V428-A441 HydrophobicContact CB-CB 4.09Å; V428-A441 HydrophobicContact CG1-CB 4.16Å; V428-A441 PolarHBondContact O-N 2.99Å; V428-W460 HydrophobicContact CB-CB 4.45Å; V428-W460 HydrophobicContact CB-CG 4.17Å; V428-W460 HydrophobicContact CG1-CD2 3.74Å; V428-W460 HydrophobicContact CG1-CE3 4.34Å; V428-W460 HydrophobicContact CG1-CG 3.8Å; V428-W460 HydrophobicContact CG1-CZ2 4.44Å; V428-W460 HydrophobicContact CG2-CB 4.44Å; V428-W460 HydrophobicContact CG2-CG 4.16Å; V428-K480 WeakPolarHBondContact CA-O 3.32Å; V428-A481 HydrophobicContact CG2-CB 4.14Å
429	E	98.7	Very high	97.3	Very high	23 Å²	23	35.5 Å²	35.5	11%	0.107	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	142.5	-177.8	-72.2	159.5	87.8	0	0	109.9	R427 W438 Q439 C479 K480	R427-E429 HydrophobicContact CG-CG 4.02Å; R427-E429 IonicContact CZ-OE2 3.58Å; R427-E429 VanDerWaalsContact NE-CD 3.26Å; R427-E429 IonicContact NE-OE1 2.7Å; R427-E429 IonicContact NE-OE2 2.68Å; R427-E429 PolarHBondContact NE-OE2 2.99Å; R427-E429 IonicContact NH2-OE2 3.94Å; R427-E429 PolarHBondContact NH2-OE2 3.08Å; E429-W438 HydrophobicContact CB-CB 4.2Å; E429-W438 HydrophobicContact CB-CD2 4.26Å; E429-W438 HydrophobicContact CB-CE3 3.71Å; E429-W438 HydrophobicContact CB-CG 4.49Å; E429-W438 HydrophobicContact CB-CZ3 4.48Å; E429-W438 HydrophobicContact CG-CB 4.5Å; E429-Q439 CarbonylContact C-O 3.3Å; E429-Q439 WeakPolarHBondContact CA-O 3.25Å; E429-C479 VanDerWaalsContact O-CA 3.3Å; E429-C479 WeakPolarHBondContact O-CA 3.1Å; E429-K480 HydrophobicContact CB-CG 4.12Å; E429-K480 PolarHBondContact N-O 2.81Å; E429-K480 PolarHBondContact O-N 2.93Å; E429-K480 IonicContact OE1-NZ 2.82Å; E429-K480 PolarHBondContact OE1-NZ 3.39Å; E429-K480 IonicContact OE2-NZ 3.19Å; E429-K480 PolarHBondContact OE2-NZ 3.3Å
430	V	98.7	Very high	97.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	136.3	-178	-165.1	0	0	0	0	110	V413 Q439 A441 W460 A462 V464 I477 L478 C479	V413-V430 HydrophobicContact CB-CG1 4.45Å; V413-V430 HydrophobicContact CG1-CG1 4.21Å; V413-V430 HydrophobicContact CG2-CG1 4.48Å; V430-Q439 PolarHBondContact N-O 3.19Å; V430-Q439 PolarHBondContact O-N 2.76Å; V430-A441 HydrophobicContact CG2-CB 4.27Å; V430-W460 HydrophobicContact CG2-CE3 4.21Å; V430-W460 HydrophobicContact CG2-CH2 4.01Å; V430-W460 HydrophobicContact CG2-CZ3 3.61Å; V430-A462 HydrophobicContact CB-CB 4.37Å; V430-A462 HydrophobicContact CG2-CB 3.91Å; V430-V464 HydrophobicContact CB-CG2 3.88Å; V430-V464 HydrophobicContact CG1-CG2 3.6Å; V430-I477 HydrophobicContact CG1-CG2 3.59Å; V430-L478 CarbonylContact C-O 3.55Å; V430-L478 VanDerWaalsContact CA-O 3.24Å; V430-L478 WeakPolarHBondContact CA-O 3.29Å; V430-L478 VanDerWaalsContact CG1-O 3.23Å; V430-L478 WeakPolarHBondContact CG1-O 3.38Å; V430-C479 HydrophobicContact CG2-CB 4.4Å
431	S	98.4	Very high	97.3	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	151.4	-179.9	169.4	0	0	0	0	110.5	D433 G435 T437 I477 L478	S431-D433 PolarHBondContact OG-N 3.49Å; S431-D433 PolarHBondContact OG-OD1 2.98Å; S431-G435 VanDerWaalsContact OG-CA 3.3Å; S431-G435 WeakPolarHBondContact OG-CA 3.27Å; S431-G435 PolarHBondContact OG-N 2.89Å; S431-T437 WeakPolarHBondContact CB-O 3.3Å; S431-T437 PolarHBondContact OG-O 2.7Å; S431-I477 CarbonylContact O-C 3.56Å; S431-I477 VanDerWaalsContact O-CA 3.29Å; S431-I477 WeakPolarHBondContact O-CA 3.32Å; S431-L478 PolarHBondContact N-O 2.59Å; S431-L478 PolarHBondContact O-N 3.27Å
432	S	97.4	Very high	97.3	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.014	23%	0.231	C	C	.	.	S	Bend	trans	-127.6	14.3	174	62.5	0	0	0	0	112.6	P465 L467	S432-P465 WeakPolarHBondContact CB-O 3.43Å; S432-P465 PolarHBondContact OG-O 3.38Å; S432-L467 PolarHBondContact OG-N 2.98Å
433	D	95.9	Very high	97.3	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.064	24%	0.244	C	C	.	.	S	Bend	trans	-132.5	37.3	-176.7	62.9	1.5	0	0	0	112.2	S431 G435 K436 T437 L467 E468	S431-D433 PolarHBondContact OG-N 3.49Å; S431-D433 PolarHBondContact OG-OD1 2.98Å; D433-G435 VanDerWaalsContact C-N 3.26Å; D433-G435 PolarHBondContact O-N 3.47Å; D433-K436 WeakPolarHBondContact O-CD 3.3Å; D433-K436 VanDerWaalsContact O-CG 3.31Å; D433-K436 WeakPolarHBondContact O-CG 3.31Å; D433-K436 PolarHBondContact O-N 3.48Å; D433-K436 PolarHBondContact OD1-N 2.88Å; D433-K436 VanDerWaalsContact OD1-N 3.14Å; D433-T437 PolarHBondContact OD1-N 3.34Å; D433-T437 VanDerWaalsContact OD2-CB 3.3Å; D433-T437 WeakPolarHBondContact OD2-CB 3.44Å; D433-T437 WeakPolarHBondContact OD2-CG2 3.23Å; D433-T437 PolarHBondContact OD2-N 2.82Å; D433-T437 VanDerWaalsContact OD2-N 3.1Å; D433-T437 PolarHBondContact OD2-OG1 2.68Å; D433-L467 HydrophobicContact CB-CB 4.07Å; D433-E468 HydrophobicContact CB-CB 3.93Å
434	N	93.7	Very high	97.2	Very high	76 Å²	76	48.2 Å²	48.2	41%	0.406	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.3	36.2	-178	-167.5	45.3	0	0	0	113.8	R509	N434-R509 PolarHBondContact OD1-NH1 3.27Å
435	G	95.2	Very high	97	Very high	17 Å²	17	50.5 Å²	50.5	18%	0.175	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	11.9	172.4	0	0	0	0	0	114.8	S431 D433 W438	S431-G435 VanDerWaalsContact OG-CA 3.3Å; S431-G435 WeakPolarHBondContact OG-CA 3.27Å; S431-G435 PolarHBondContact OG-N 2.89Å; D433-G435 VanDerWaalsContact C-N 3.26Å; D433-G435 PolarHBondContact O-N 3.47Å; G435-W438 VanDerWaalsContact CA-CZ2 3.45Å; G435-W438 PolarHBondContact O-NE1 2.78Å
436	K	96.4	Very high	96.7	Very high	133 Å²	133	53.8 Å²	53.8	58%	0.578	28%	0.283	S	S	*	.	S	Bend	trans	-73.4	-41.2	176.1	-64.4	170.6	-170.2	167	0	111.3	D433 E468	D433-K436 WeakPolarHBondContact O-CD 3.3Å; D433-K436 VanDerWaalsContact O-CG 3.31Å; D433-K436 WeakPolarHBondContact O-CG 3.31Å; D433-K436 PolarHBondContact O-N 3.48Å; D433-K436 PolarHBondContact OD1-N 2.88Å; D433-K436 VanDerWaalsContact OD1-N 3.14Å; K436-E468 IonicContact NZ-OE1 3.51Å; K436-E468 PolarHBondContact NZ-OE1 3.13Å; K436-E468 IonicContact NZ-OE2 2.96Å; K436-E468 PolarHBondContact NZ-OE2 3.01Å
437	T	97	Very high	96.4	Very high	66 Å²	66	52.5 Å²	52.5	41%	0.405	27%	0.273	S	S	.	.	S	Bend	trans	-129.9	153.9	174.3	72	0	0	0	0	111.1	S431 D433 L467	S431-T437 WeakPolarHBondContact CB-O 3.3Å; S431-T437 PolarHBondContact OG-O 2.7Å; D433-T437 PolarHBondContact OD1-N 3.34Å; D433-T437 VanDerWaalsContact OD2-CB 3.3Å; D433-T437 WeakPolarHBondContact OD2-CB 3.44Å; D433-T437 WeakPolarHBondContact OD2-CG2 3.23Å; D433-T437 PolarHBondContact OD2-N 2.82Å; D433-T437 VanDerWaalsContact OD2-N 3.1Å; D433-T437 PolarHBondContact OD2-OG1 2.68Å; T437-L467 VanDerWaalsContact OG1-CD1 3.28Å; T437-L467 WeakPolarHBondContact OG1-CD1 3.24Å
438	W	97.8	Very high	95.9	Very high	59 Å²	59	53.2 Å²	53.2	22%	0.223	30%	0.295	C	S	.	.			trans	-135.1	135.7	-171.2	-63.7	89.2	0	0	0	110.9	E429 G435 L478 K480 W507	E429-W438 HydrophobicContact CB-CB 4.2Å; E429-W438 HydrophobicContact CB-CD2 4.26Å; E429-W438 HydrophobicContact CB-CE3 3.71Å; E429-W438 HydrophobicContact CB-CG 4.49Å; E429-W438 HydrophobicContact CB-CZ3 4.48Å; E429-W438 HydrophobicContact CG-CB 4.5Å; G435-W438 VanDerWaalsContact CA-CZ2 3.45Å; G435-W438 PolarHBondContact O-NE1 2.78Å; W438-L478 HydrophobicContact CH2-CB 4.28Å; W438-L478 HydrophobicContact CZ3-CB 4.41Å; W438-K480 HydrophobicContact CD2-CD 4.49Å; W438-K480 HydrophobicContact CE3-CD 4.31Å; W438-K480 HydrophobicContact CE3-CG 4.26Å; W438-K480 HydrophobicContact CH2-CD 3.63Å; W438-K480 HydrophobicContact CH2-CG 3.98Å; W438-K480 HydrophobicContact CZ2-CD 3.84Å; W438-K480 VanDerWaalsContact CZ2-CE 3.47Å; W438-K480 HydrophobicContact CZ3-CB 4.48Å; W438-K480 HydrophobicContact CZ3-CD 3.89Å; W438-K480 HydrophobicContact CZ3-CG 3.78Å; W438-W507 AromaticContact CH2-CD2 3.87Å; W438-W507 HydrophobicContact CH2-CD2 3.87Å; W438-W507 AromaticContact CH2-CE3 3.75Å; W438-W507 HydrophobicContact CH2-CE3 3.75Å; W438-W507 HydrophobicContact CH2-CH2 4.29Å; W438-W507 HydrophobicContact CH2-CZ2 4.4Å; W438-W507 AromaticContact CH2-CZ3 3.97Å; W438-W507 HydrophobicContact CH2-CZ3 3.97Å; W438-W507 HydrophobicContact CZ2-CD2 4.25Å; W438-W507 AromaticContact CZ2-CE3 3.91Å; W438-W507 HydrophobicContact CZ2-CE3 3.91Å; W438-W507 AromaticContact CZ2-CH2 3.68Å; W438-W507 HydrophobicContact CZ2-CH2 3.68Å; W438-W507 HydrophobicContact CZ2-CZ2 4.03Å; W438-W507 AromaticContact CZ2-CZ3 3.61Å; W438-W507 HydrophobicContact CZ2-CZ3 3.61Å
439	Q	97.3	Very high	95.4	Very high	81 Å²	81	54.3 Å²	54.3	38%	0.379	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	134.2	168.2	-59.8	-59.1	-10.4	0	0	109.7	E429 V430	E429-Q439 CarbonylContact C-O 3.3Å; E429-Q439 WeakPolarHBondContact CA-O 3.25Å; V430-Q439 PolarHBondContact N-O 3.19Å; V430-Q439 PolarHBondContact O-N 2.76Å
440	S	97.9	Very high	95.1	Very high	88 Å²	88	56.6 Å²	56.6	62%	0.615	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	128.2	172.8	-67.6	0	0	0	0	109.9
441	A	98.5	Very high	94.5	Very high	14 Å²	14	62.3 Å²	62.3	12%	0.116	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-83.4	150.9	174.8	0	0	0	0	0	111.2	V428 V430 I443 W460 A462	V428-A441 HydrophobicContact CB-CB 4.09Å; V428-A441 HydrophobicContact CG1-CB 4.16Å; V428-A441 PolarHBondContact O-N 2.99Å; V430-A441 HydrophobicContact CG2-CB 4.27Å; A441-I443 PolarHBondContact O-N 3.3Å; A441-W460 HydrophobicContact CB-CB 4.2Å; A441-W460 HydrophobicContact CB-CD2 4.36Å; A441-W460 HydrophobicContact CB-CE3 3.86Å; A441-A462 HydrophobicContact CB-CB 4Å
442	T	98.4	Very high	94.1	Very high	95 Å²	95	69.6 Å²	69.6	58%	0.583	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	116.5	169.1	-57.8	0	0	0	0	109.1	W460 S461	T442-W460 CarbonylContact O-C 3.48Å; T442-W460 VanDerWaalsContact O-CA 3.26Å; T442-W460 WeakPolarHBondContact O-CA 3.46Å; T442-S461 PolarHBondContact N-O 3.28Å; T442-S461 PolarHBondContact O-N 3.36Å
443	I	97.8	Very high	94	Very high	52 Å²	52	72.9 Å²	72.9	27%	0.267	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	132.8	171.6	-65.3	178	0	0	0	109.3	V425 A441 D446 V458	V425-I443 HydrophobicContact CG1-CD1 4.41Å; A441-I443 PolarHBondContact O-N 3.3Å; I443-D446 HydrophobicContact CG2-CB 4.1Å; I443-V458 HydrophobicContact CG2-CB 3.77Å; I443-V458 HydrophobicContact CG2-CG1 3.91Å; I443-V458 HydrophobicContact CG2-CG2 4.02Å
444	K	95.5	Very high	94.1	Very high	72 Å²	72	74 Å²	74	31%	0.313	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	153.3	178.6	-62	179.8	-178.9	171.7	0	109.7	E414 D446 Q459 S461	E414-K444 IonicContact OE1-NZ 3.7Å; E414-K444 PolarHBondContact OE1-NZ 3.14Å; K444-D446 PolarHBondContact O-N 3.43Å; K444-Q459 WeakPolarHBondContact CA-O 3.19Å; K444-Q459 HydrophobicContact CB-CB 4.34Å; K444-Q459 PolarHBondContact N-O 3.41Å; K444-Q459 PolarHBondContact O-N 2.84Å; K444-Q459 VanDerWaalsContact O-O 3.05Å; K444-S461 WeakPolarHBondContact CE-OG 3.39Å; K444-S461 PolarHBondContact NZ-OG 2.65Å
445	N	91.3	Very high	94.3	Very high	80 Å²	80	70.8 Å²	70.8	43%	0.428	38%	0.376	S	S	.	.			trans	55.1	33.2	174.3	-56.7	-42.3	0	0	0	113.7	F177 I447 Q459	F177-N445 HydrophobicContact CB-CB 4.2Å; F177-N445 HydrophobicContact CD2-CB 3.28Å; F177-N445 HydrophobicContact CE2-CB 3.69Å; F177-N445 WeakPolarHBondContact CE2-O 3.32Å; F177-N445 HydrophobicContact CG-CB 3.79Å; N445-I447 VanDerWaalsContact C-N 3.26Å; N445-I447 PolarHBondContact O-N 2.93Å; N445-Q459 PolarHBondContact ND2-OE1 2.76Å
446	D	90.8	Very high	94.4	Very high	73 Å²	73	70.4 Å²	70.4	39%	0.39	37%	0.372	S	S	.	.			trans	-71	86.7	165.8	179.2	12.1	0	0	0	108.6	H424 I443 K444 R454 V458	H424-D446 IonicContact CE1-OD2 3.36Å; H424-D446 PolarHBondContact CE1-OD2 2.88Å; H424-D446 VanDerWaalsContact CE1-OD2 3.3Å; H424-D446 IonicContact NE2-OD1 3.41Å; H424-D446 PolarHBondContact NE2-OD1 2.88Å; H424-D446 IonicContact NE2-OD2 3.3Å; H424-D446 PolarHBondContact NE2-OD2 2.99Å; I443-D446 HydrophobicContact CG2-CB 4.1Å; K444-D446 PolarHBondContact O-N 3.43Å; D446-R454 IonicContact OD1-CZ 2.98Å; D446-R454 IonicContact OD1-NH1 2.82Å; D446-R454 PolarHBondContact OD1-NH1 2.9Å; D446-R454 IonicContact OD1-NH2 3.81Å; D446-V458 HydrophobicContact CB-CG1 4.29Å
447	I	91.7	Very high	94.5	Very high	43 Å²	43	64.2 Å²	64.2	22%	0.221	35%	0.345	C	S	.	.			trans	-69.4	144.8	179.7	59	167	0	0	0	110.3	F177 V229 N445 Q449 R454 A456	F177-I447 HydrophobicContact CE1-CD1 4.21Å; F177-I447 HydrophobicContact CE1-CG2 3.76Å; F177-I447 HydrophobicContact CZ-CD1 3.97Å; F177-I447 HydrophobicContact CZ-CG1 4.03Å; F177-I447 HydrophobicContact CZ-CG2 3.71Å; V229-I447 HydrophobicContact CB-CD1 3.61Å; V229-I447 HydrophobicContact CG1-CD1 3.91Å; V229-I447 HydrophobicContact CG2-CD1 3.65Å; N445-I447 VanDerWaalsContact C-N 3.26Å; N445-I447 PolarHBondContact O-N 2.93Å; I447-Q449 HydrophobicContact CD1-CG 4.06Å; I447-Q449 HydrophobicContact CG1-CG 4.14Å; I447-Q449 PolarHBondContact O-N 3.3Å; I447-R454 PolarHBondContact O-NH1 3.12Å; I447-A456 HydrophobicContact CD1-CB 3.85Å; I447-A456 HydrophobicContact CG1-CB 4.22Å
448	S	87.2	Confident	94.6	Very high	128 Å²	128	61.3 Å²	61.3	90%	0.895	33%	0.327	S	S	*	.			trans	-64.8	96.4	178.1	-169	0	0	0	0	111.1
449	Q	88.6	Confident	94.6	Very high	25 Å²	25	58.9 Å²	58.9	12%	0.117	32%	0.318	C	S	.	.			trans	-117.9	145.4	169.6	-77.3	-177.1	-44.8	0	0	108.4	V229 I447 R453 R454	V229-Q449 PolarHBondContact O-NE2 2.9Å; I447-Q449 HydrophobicContact CD1-CG 4.06Å; I447-Q449 HydrophobicContact CG1-CG 4.14Å; I447-Q449 PolarHBondContact O-N 3.3Å; Q449-R453 WeakPolarHBondContact CB-O 3.37Å; Q449-R454 WeakPolarHBondContact O-CD 3.36Å; Q449-R454 PolarHBondContact O-NE 3.08Å
450	P	91.5	Very high	94.6	Very high	70 Å²	70	55.1 Å²	55.1	46%	0.455	30%	0.301	S	S	.	.			trans	-57	153.1	177.4	-24.1	33.8	0	0	0	112.4	R453	P450-R453 HydrophobicContact CB-CB 4.27Å; P450-R453 CarbonylContact O-C 3.55Å; P450-R453 WeakPolarHBondContact O-CA 3.47Å; P450-R453 PolarHBondContact O-N 2.92Å
451	L	85.9	Confident	94.6	Very high	121 Å²	121	51.9 Å²	51.9	63%	0.634	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	144.6	168.7	-68	175.6	0	0	0	109.8	R453	L451-R453 PolarHBondContact O-N 2.85Å
452	F	91	Very high	94.6	Very high	155 Å²	155	51.6 Å²	51.6	68%	0.68	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	8	-173.6	-43.5	-71.1	0	0	0	115.2	G422	G422-F452 CarbonylContact O-C 3.48Å; G422-F452 VanDerWaalsContact O-C 3.26Å; G422-F452 WeakPolarHBondContact O-CA 3.43Å
453	R	95.3	Very high	94.6	Very high	70 Å²	70	51.1 Å²	51.1	26%	0.264	27%	0.272	S	S	.	.			trans	-133.3	30.4	177	-64	174.8	51.6	-175	-6.4	112.2	S309 Q311 G422 Q449 P450 L451 W455	S309-R453 WeakPolarHBondContact O-CD 3.24Å; S309-R453 PolarHBondContact O-NE 3.4Å; Q311-R453 VanDerWaalsContact OE1-NE 3.15Å; G422-R453 PolarHBondContact O-N 3.34Å; Q449-R453 WeakPolarHBondContact CB-O 3.37Å; P450-R453 HydrophobicContact CB-CB 4.27Å; P450-R453 CarbonylContact O-C 3.55Å; P450-R453 WeakPolarHBondContact O-CA 3.47Å; P450-R453 PolarHBondContact O-N 2.92Å; L451-R453 PolarHBondContact O-N 2.85Å; R453-W455 VanDerWaalsContact C-N 3.34Å; R453-W455 HydrophobicContact CB-CZ2 3.86Å; R453-W455 HydrophobicContact CG-CZ2 3.74Å; R453-W455 PolarHBondContact O-N 3.31Å; R453-W455 VanDerWaalsContact O-N 3.07Å
454	R	96.9	Very high	94.5	Very high	37 Å²	37	48.7 Å²	48.7	14%	0.14	26%	0.26	C	S	.	.			trans	-80.4	80.3	175	-59.6	-54.5	-163.7	134.5	6.3	109.9	G422 H424 D446 I447 Q449	G422-R454 WeakPolarHBondContact O-CB 3.42Å; G422-R454 PolarHBondContact O-N 2.6Å; H424-R454 HydrophobicContact CB-CB 4.37Å; H424-R454 HydrophobicContact CB-CG 3.7Å; D446-R454 IonicContact OD1-CZ 2.98Å; D446-R454 IonicContact OD1-NH1 2.82Å; D446-R454 PolarHBondContact OD1-NH1 2.9Å; D446-R454 IonicContact OD1-NH2 3.81Å; I447-R454 PolarHBondContact O-NH1 3.12Å; Q449-R454 WeakPolarHBondContact O-CD 3.36Å; Q449-R454 PolarHBondContact O-NE 3.08Å
455	W	98.1	Very high	94.6	Very high	7 Å²	7	47 Å²	47	3%	0.027	26%	0.256	C	S	.	.			trans	-85.5	-26	-175.3	-48.7	131.1	0	0	0	113.6	V229 A230 T231 P336 W418 G422 R453	V229-W455 WeakPolarHBondContact O-CB 3.49Å; A230-W455 HydrophobicContact CB-CB 3.96Å; T231-W455 PolarHBondContact N-O 2.9Å; P336-W455 HydrophobicContact CB-CB 3.97Å; P336-W455 HydrophobicContact CB-CD2 3.32Å; P336-W455 HydrophobicContact CB-CE3 3.61Å; P336-W455 HydrophobicContact CB-CG 3.47Å; P336-W455 VanDerWaalsContact CB-CG 3.47Å; P336-W455 HydrophobicContact CB-CZ2 4.35Å; P336-W455 HydrophobicContact CB-CZ3 4.22Å; P336-W455 HydrophobicContact CG-CD2 4.47Å; P336-W455 HydrophobicContact CG-CG 4.42Å; W418-W455 PolarHBondContact NE1-O 2.87Å; G422-W455 VanDerWaalsContact CA-CE3 3.45Å; R453-W455 VanDerWaalsContact C-N 3.34Å; R453-W455 HydrophobicContact CB-CZ2 3.86Å; R453-W455 HydrophobicContact CG-CZ2 3.74Å; R453-W455 PolarHBondContact O-N 3.31Å; R453-W455 VanDerWaalsContact O-N 3.07Å
456	A	98.3	Very high	94.8	Very high	10 Å²	10	44.2 Å²	44.2	8%	0.083	24%	0.241	C	C	.	.	S	Bend	trans	-78.9	147.5	177	0	0	0	0	0	110.5	F177 V229 I447	F177-A456 HydrophobicContact CE2-CB 4.5Å; F177-A456 HydrophobicContact CZ-CB 3.89Å; V229-A456 HydrophobicContact CB-CB 4.26Å; V229-A456 HydrophobicContact CG1-CB 3.74Å; I447-A456 HydrophobicContact CD1-CB 3.85Å; I447-A456 HydrophobicContact CG1-CB 4.22Å
457	W	98.2	Very high	94.9	Very high	2 Å²	2	45 Å²	45	1%	0.008	25%	0.245	C	C	.	.			trans	-62	171	164.8	64.6	6.1	0	0	0	111.1	L173 F177 T179 T231 I255 N257 Y416 A417 W418	L173-W457 HydrophobicContact CB-CH2 3.9Å; L173-W457 HydrophobicContact CB-CZ3 4.14Å; L173-W457 HydrophobicContact CD2-CH2 3.52Å; L173-W457 HydrophobicContact CD2-CZ3 3.79Å; L173-W457 HydrophobicContact CG-CH2 4.27Å; L173-W457 HydrophobicContact CG-CZ3 4.39Å; F177-W457 AromaticContact CD2-CD1 3.81Å; F177-W457 AromaticContact CD2-NE1 3.53Å; F177-W457 AromaticContact CE2-CD1 3.59Å; F177-W457 AromaticContact CE2-NE1 3.78Å; F177-W457 WeakPolarHBondContact CE2-O 3.46Å; F177-W457 PolarHBondContact O-NE1 2.96Å; T179-W457 WeakPolarHBondContact OG1-CH2 3.46Å; T231-W457 HydrophobicContact CG2-CB 4.33Å; T231-W457 HydrophobicContact CG2-CE3 4.42Å; T231-W457 WeakPolarHBondContact OG1-CB 3.36Å; T231-W457 PolarHBondContact OG1-N 3.2Å; I255-W457 HydrophobicContact CD1-CE3 4.31Å; I255-W457 HydrophobicContact CG1-CE3 4.28Å; I255-W457 HydrophobicContact CG1-CZ3 4.42Å; I255-W457 HydrophobicContact CG2-CZ3 4.28Å; N257-W457 HydrophobicContact CB-CD2 3.7Å; N257-W457 HydrophobicContact CB-CE3 4.44Å; N257-W457 HydrophobicContact CB-CG 3.94Å; N257-W457 HydrophobicContact CB-CH2 4.42Å; N257-W457 HydrophobicContact CB-CZ2 3.67Å; N257-W457 PolarHBondContact ND2-NE1 3.36Å; Y416-W457 HydrophobicContact CD1-CZ3 4.33Å; Y416-W457 HydrophobicContact CG-CE3 4.11Å; Y416-W457 HydrophobicContact CG-CZ3 4.32Å; A417-W457 WeakPolarHBondContact O-CA 3.21Å; A417-W457 WeakPolarHBondContact O-CB 3.49Å; W418-W457 HydrophobicContact CB-CB 3.93Å; W418-W457 HydrophobicContact CG-CB 4.35Å
458	V	98.1	Very high	94.9	Very high	5 Å²	5	47 Å²	47	3%	0.03	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	149.7	159.8	-61.4	0	0	0	0	108.8	Y416 A417 V425 I443 D446	Y416-V458 CarbonylContact C-O 3.46Å; Y416-V458 VanDerWaalsContact CA-O 3.32Å; Y416-V458 WeakPolarHBondContact CA-O 3.47Å; A417-V458 HydrophobicContact CB-CG2 4.03Å; A417-V458 PolarHBondContact N-O 2.88Å; A417-V458 PolarHBondContact O-N 3.02Å; V425-V458 HydrophobicContact CB-CG2 3.91Å; V425-V458 HydrophobicContact CG1-CG2 4.03Å; V425-V458 HydrophobicContact CG2-CG2 4.31Å; I443-V458 HydrophobicContact CG2-CB 3.77Å; I443-V458 HydrophobicContact CG2-CG1 3.91Å; I443-V458 HydrophobicContact CG2-CG2 4.02Å; D446-V458 HydrophobicContact CB-CG1 4.29Å
459	Q	97.9	Very high	95	Very high	9 Å²	9	45.9 Å²	45.9	4%	0.042	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	158.7	164.6	-70.1	173.9	-44	0	0	108.3	L173 A174 S176 G415 K444 N445	L173-Q459 PolarHBondContact O-NE2 2.86Å; A174-Q459 VanDerWaalsContact C-NE2 3.3Å; A174-Q459 PolarHBondContact O-NE2 2.95Å; S176-Q459 VanDerWaalsContact C-NE2 3.33Å; S176-Q459 PolarHBondContact O-NE2 3.1Å; G415-Q459 CarbonylContact O-C 3.51Å; G415-Q459 WeakPolarHBondContact O-CA 3.23Å; K444-Q459 WeakPolarHBondContact CA-O 3.19Å; K444-Q459 HydrophobicContact CB-CB 4.34Å; K444-Q459 PolarHBondContact N-O 3.41Å; K444-Q459 PolarHBondContact O-N 2.84Å; K444-Q459 VanDerWaalsContact O-O 3.05Å; N445-Q459 PolarHBondContact ND2-OE1 2.76Å
460	W	98.4	Very high	94.8	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.008	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	158.7	178.9	57.1	-97.1	0	0	0	111.1	A394 I395 V413 E414 G415 Y416 V428 V430 A441 T442 C479	A394-W460 WeakPolarHBondContact O-CZ2 3.34Å; I395-W460 HydrophobicContact CG1-CH2 4.06Å; I395-W460 HydrophobicContact CG1-CZ2 4.34Å; V413-W460 HydrophobicContact CB-CZ3 4.2Å; V413-W460 HydrophobicContact CG1-CH2 3.71Å; V413-W460 HydrophobicContact CG1-CZ3 3.78Å; E414-W460 VanDerWaalsContact CA-O 3.32Å; E414-W460 WeakPolarHBondContact CA-O 3.49Å; G415-W460 VanDerWaalsContact C-NE1 3.29Å; G415-W460 PolarHBondContact N-O 3.46Å; G415-W460 VanDerWaalsContact N-O 3.14Å; G415-W460 PolarHBondContact O-N 2.64Å; Y416-W460 VanDerWaalsContact C-CD1 3.46Å; Y416-W460 PolarHBondContact O-NE1 3.32Å; V428-W460 HydrophobicContact CB-CB 4.45Å; V428-W460 HydrophobicContact CB-CG 4.17Å; V428-W460 HydrophobicContact CG1-CD2 3.74Å; V428-W460 HydrophobicContact CG1-CE3 4.34Å; V428-W460 HydrophobicContact CG1-CG 3.8Å; V428-W460 HydrophobicContact CG1-CZ2 4.44Å; V428-W460 HydrophobicContact CG2-CB 4.44Å; V428-W460 HydrophobicContact CG2-CG 4.16Å; V430-W460 HydrophobicContact CG2-CE3 4.21Å; V430-W460 HydrophobicContact CG2-CH2 4.01Å; V430-W460 HydrophobicContact CG2-CZ3 3.61Å; A441-W460 HydrophobicContact CB-CB 4.2Å; A441-W460 HydrophobicContact CB-CD2 4.36Å; A441-W460 HydrophobicContact CB-CE3 3.86Å; T442-W460 CarbonylContact O-C 3.48Å; T442-W460 VanDerWaalsContact O-CA 3.26Å; T442-W460 WeakPolarHBondContact O-CA 3.46Å; W460-C479 HydrophobicContact CH2-CB 4.03Å; W460-C479 HydrophobicContact CZ2-CB 3.91Å
461	S	98.3	Very high	94.5	Very high	19 Å²	19	51.2 Å²	51.2	13%	0.133	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146	170.2	66.4	0	0	0	0	112.2	V413 T442 K444	V413-S461 CarbonylContact O-C 3.52Å; V413-S461 VanDerWaalsContact O-CA 3.23Å; V413-S461 WeakPolarHBondContact O-CA 3.47Å; T442-S461 PolarHBondContact N-O 3.28Å; T442-S461 PolarHBondContact O-N 3.36Å; K444-S461 WeakPolarHBondContact CE-OG 3.39Å; K444-S461 PolarHBondContact NZ-OG 2.65Å
462	A	98.2	Very high	94.5	Very high	8 Å²	8	53.4 Å²	53.4	7%	0.066	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	153.3	171.2	0	0	0	0	0	110.3	K412 V413 V430 A441 V464	K412-A462 WeakPolarHBondContact CA-O 3.45Å; V413-A462 PolarHBondContact N-O 3.27Å; V413-A462 PolarHBondContact O-N 2.86Å; V430-A462 HydrophobicContact CB-CB 4.37Å; V430-A462 HydrophobicContact CG2-CB 3.91Å; A441-A462 HydrophobicContact CB-CB 4Å; A462-V464 HydrophobicContact CB-CG2 3.84Å
463	V	97.7	Very high	94.5	Very high	85 Å²	85	48.7 Å²	48.7	52%	0.515	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	117.3	161	178.7	0	0	0	0	106.1	E410	E410-V463 HydrophobicContact CB-CG1 3.98Å; E410-V463 HydrophobicContact CG-CG1 3.97Å
464	V	96.7	Very high	94.4	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	119.7	-169.2	-174.2	0	0	0	0	108.9	E410 V411 V413 V430 A462	E410-V464 CarbonylContact C-O 3.54Å; E410-V464 VanDerWaalsContact CA-O 3.23Å; E410-V464 WeakPolarHBondContact CA-O 3.24Å; V411-V464 HydrophobicContact CG2-CB 4.46Å; V411-V464 PolarHBondContact N-O 3Å; V411-V464 PolarHBondContact O-N 3.44Å; V413-V464 HydrophobicContact CB-CG2 4.22Å; V413-V464 HydrophobicContact CG2-CB 4.11Å; V413-V464 HydrophobicContact CG2-CG2 3.62Å; V430-V464 HydrophobicContact CB-CG2 3.88Å; V430-V464 HydrophobicContact CG1-CG2 3.6Å; A462-V464 HydrophobicContact CB-CG2 3.84Å
465	P	97	Very high	94.4	Very high	38 Å²	38	46.6 Å²	46.6	25%	0.247	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	142.5	172.3	28.6	-33.2	0	0	0	109.4	K409 S432 L467	K409-P465 CarbonylContact O-C 3.51Å; K409-P465 WeakPolarHBondContact O-CA 3.46Å; S432-P465 WeakPolarHBondContact CB-O 3.43Å; S432-P465 PolarHBondContact OG-O 3.38Å; P465-L467 HydrophobicContact CB-CD2 3.94Å; P465-L467 HydrophobicContact CB-CG 4.34Å; P465-L467 HydrophobicContact CG-CD1 4.4Å; P465-L467 HydrophobicContact CG-CD2 4.01Å; P465-L467 HydrophobicContact CG-CG 4.14Å; P465-L467 PolarHBondContact O-N 2.9Å
466	L	96.1	Very high	94.4	Very high	20 Å²	20	47.2 Å²	47.2	11%	0.105	24%	0.239	C	C	.	.			trans	-86.6	101.2	176.1	-63.1	-175.3	0	0	0	109.1	T408 K409 V411 Y475 I512 V514	T408-L466 HydrophobicContact CG2-CD1 4.08Å; K409-L466 PolarHBondContact O-N 3.15Å; V411-L466 HydrophobicContact CG1-CD1 4.02Å; V411-L466 HydrophobicContact CG1-CD2 4.13Å; V411-L466 HydrophobicContact CG1-CG 4.24Å; V411-L466 HydrophobicContact CG2-CD2 3.73Å; V411-L466 HydrophobicContact CG2-CG 4.5Å; L466-Y475 HydrophobicContact CB-CD1 3.87Å; L466-Y475 HydrophobicContact CB-CE1 3.64Å; L466-Y475 HydrophobicContact CB-CE2 4.43Å; L466-Y475 HydrophobicContact CB-CG 4.38Å; L466-Y475 HydrophobicContact CD1-CD2 4.04Å; L466-Y475 HydrophobicContact CD1-CE2 3.98Å; L466-Y475 HydrophobicContact CD1-CG 4.37Å; L466-Y475 HydrophobicContact CD2-CD1 4.33Å; L466-Y475 HydrophobicContact CD2-CG 4.21Å; L466-I512 HydrophobicContact CD1-CD1 4.32Å; L466-I512 HydrophobicContact CD2-CD1 3.93Å; L466-V514 HydrophobicContact CD1-CG2 3.68Å
467	L	92.8	Very high	94.3	Very high	91 Å²	91	46.7 Å²	46.7	48%	0.476	24%	0.235	S	C	.	.			trans	-96.9	-41.9	-166.6	-63.6	178.5	0	0	0	113.6	S432 D433 T437 P465	S432-L467 PolarHBondContact OG-N 2.98Å; D433-L467 HydrophobicContact CB-CB 4.07Å; T437-L467 VanDerWaalsContact OG1-CD1 3.28Å; T437-L467 WeakPolarHBondContact OG1-CD1 3.24Å; P465-L467 HydrophobicContact CB-CD2 3.94Å; P465-L467 HydrophobicContact CB-CG 4.34Å; P465-L467 HydrophobicContact CG-CD1 4.4Å; P465-L467 HydrophobicContact CG-CD2 4.01Å; P465-L467 HydrophobicContact CG-CG 4.14Å; P465-L467 PolarHBondContact O-N 2.9Å
468	E	91.1	Very high	94.3	Very high	84 Å²	84	46.6 Å²	46.6	39%	0.393	24%	0.235	S	C	.	.			trans	-135.3	125.1	-175.4	-172.3	173.3	163.4	0	0	111.4	D433 K436 Y475	D433-E468 HydrophobicContact CB-CB 3.93Å; K436-E468 IonicContact NZ-OE1 3.51Å; K436-E468 PolarHBondContact NZ-OE1 3.13Å; K436-E468 IonicContact NZ-OE2 2.96Å; K436-E468 PolarHBondContact NZ-OE2 3.01Å; E468-Y475 WeakPolarHBondContact O-CD1 2.95Å
469	K	89.2	Confident	94.4	Very high	104 Å²	104	46.4 Å²	46.4	45%	0.452	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	135.1	173.6	-72.8	178.5	170	-162.9	0	109.9	E472 E474 Y475	K469-E472 VanDerWaalsContact CD-O 3.28Å; K469-E472 WeakPolarHBondContact CD-O 3.28Å; K469-E472 WeakPolarHBondContact CE-O 3.38Å; K469-E472 PolarHBondContact NZ-O 3.1Å; K469-E474 CarbonylContact C-O 3.57Å; K469-E474 WeakPolarHBondContact CA-O 3.13Å; K469-Y475 HydrophobicContact CB-CE1 4.4Å; K469-Y475 WeakPolarHBondContact CE-OH 3.48Å; K469-Y475 HydrophobicContact CG-CD1 4.25Å; K469-Y475 HydrophobicContact CG-CE1 3.53Å; K469-Y475 HydrophobicContact CG-CE2 3.98Å; K469-Y475 WeakPolarHBondContact CG-OH 3.44Å
470	K	84.3	Confident	94.4	Very high	101 Å²	101	47.3 Å²	47.3	44%	0.439	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	-47	170.5	-171.9	164.8	-178.8	154.1	0	111	E474 E476	K470-E474 PolarHBondContact N-O 3.41Å; K470-E476 HydrophobicContact CD-CB 4.16Å; K470-E476 VanDerWaalsContact NZ-CD 3.29Å; K470-E476 IonicContact NZ-OE1 2.67Å; K470-E476 PolarHBondContact NZ-OE1 2.96Å; K470-E476 IonicContact NZ-OE2 2.65Å; K470-E476 PolarHBondContact NZ-OE2 3.15Å
471	N	84.2	Confident	94.4	Very high	107 Å²	107	47.2 Å²	47.2	57%	0.572	24%	0.237	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-135.7	175.8	172.4	-65.7	-22.1	0	0	0	108.7	N473 E474	N471-N473 PolarHBondContact O-N 3.31Å; N471-E474 HydrophobicContact CB-CB 4.26Å; N471-E474 PolarHBondContact O-N 3.07Å; N471-E474 VanDerWaalsContact O-N 3.07Å
472	E	86.5	Confident	94.4	Very high	167 Å²	167	46.5 Å²	46.5	78%	0.78	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-38.4	-42.4	-170.7	-69.9	-172.3	163.1	0	0	116.1	K469	K469-E472 VanDerWaalsContact CD-O 3.28Å; K469-E472 WeakPolarHBondContact CD-O 3.28Å; K469-E472 WeakPolarHBondContact CE-O 3.38Å; K469-E472 PolarHBondContact NZ-O 3.1Å
473	N	90.7	Very high	94.4	Very high	55 Å²	55	46.1 Å²	46.1	29%	0.294	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.9	5.8	-177.5	-69	-31.8	0	0	0	113.7	N471 C513 V514	N471-N473 PolarHBondContact O-N 3.31Å; N473-C513 CarbonylContact O-C 3.36Å; N473-C513 VanDerWaalsContact O-CA 3.28Å; N473-C513 WeakPolarHBondContact O-CA 3.09Å; N473-V514 VanDerWaalsContact CB-O 3.28Å; N473-V514 WeakPolarHBondContact CB-O 3.3Å; N473-V514 PolarHBondContact O-N 3.29Å
474	E	94.7	Very high	94.4	Very high	38 Å²	38	44.1 Å²	44.1	18%	0.178	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.6	-175.3	-174	179.6	92.3	0	0	110.7	K469 K470 N471 K511 I512	K469-E474 CarbonylContact C-O 3.57Å; K469-E474 WeakPolarHBondContact CA-O 3.13Å; K470-E474 PolarHBondContact N-O 3.41Å; N471-E474 HydrophobicContact CB-CB 4.26Å; N471-E474 PolarHBondContact O-N 3.07Å; N471-E474 VanDerWaalsContact O-N 3.07Å; E474-K511 HydrophobicContact CG-CB 4.34Å; E474-K511 IonicContact OE1-NZ 2.9Å; E474-I512 CarbonylContact C-O 3.58Å; E474-I512 WeakPolarHBondContact CA-O 3.43Å
475	Y	96.3	Very high	94.5	Very high	25 Å²	25	47.4 Å²	47.4	10%	0.098	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	151.2	168.6	-62.7	-97.1	0	0	0	109.6	L466 E468 K469 K511 I512 V514	L466-Y475 HydrophobicContact CB-CD1 3.87Å; L466-Y475 HydrophobicContact CB-CE1 3.64Å; L466-Y475 HydrophobicContact CB-CE2 4.43Å; L466-Y475 HydrophobicContact CB-CG 4.38Å; L466-Y475 HydrophobicContact CD1-CD2 4.04Å; L466-Y475 HydrophobicContact CD1-CE2 3.98Å; L466-Y475 HydrophobicContact CD1-CG 4.37Å; L466-Y475 HydrophobicContact CD2-CD1 4.33Å; L466-Y475 HydrophobicContact CD2-CG 4.21Å; E468-Y475 WeakPolarHBondContact O-CD1 2.95Å; K469-Y475 HydrophobicContact CB-CE1 4.4Å; K469-Y475 WeakPolarHBondContact CE-OH 3.48Å; K469-Y475 HydrophobicContact CG-CD1 4.25Å; K469-Y475 HydrophobicContact CG-CE1 3.53Å; K469-Y475 HydrophobicContact CG-CE2 3.98Å; K469-Y475 WeakPolarHBondContact CG-OH 3.44Å; Y475-K511 WeakPolarHBondContact O-CA 3.33Å; Y475-I512 PolarHBondContact N-O 2.91Å; Y475-I512 PolarHBondContact O-N 3.41Å; Y475-V514 HydrophobicContact CD2-CG2 3.85Å; Y475-V514 HydrophobicContact CE2-CB 4.12Å; Y475-V514 HydrophobicContact CE2-CG2 3.6Å
476	E	96.9	Very high	94.5	Very high	20 Å²	20	52.5 Å²	52.5	9%	0.093	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.6	173.3	-172.8	170.1	-87.9	0	0	109.7	K470 L478 R509	K470-E476 HydrophobicContact CD-CB 4.16Å; K470-E476 VanDerWaalsContact NZ-CD 3.29Å; K470-E476 IonicContact NZ-OE1 2.67Å; K470-E476 PolarHBondContact NZ-OE1 2.96Å; K470-E476 IonicContact NZ-OE2 2.65Å; K470-E476 PolarHBondContact NZ-OE2 3.15Å; E476-L478 HydrophobicContact CG-CD2 4.02Å; E476-R509 HydrophobicContact CG-CB 4.18Å; E476-R509 IonicContact OE2-NH1 4Å; E476-R509 PolarHBondContact OE2-NH1 3.11Å; E476-R509 VanDerWaalsContact OE2-NH1 3.1Å
477	I	97.9	Very high	94.6	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.6	179.6	-54.3	175.1	0	0	0	108.6	I395 P398 V411 V413 V430 S431 R509 V510 I512	I395-I477 HydrophobicContact CD1-CB 4.14Å; I395-I477 HydrophobicContact CD1-CG2 3.76Å; I395-I477 WeakPolarHBondContact CD1-O 3.26Å; P398-I477 HydrophobicContact CG-CD1 4.36Å; V411-I477 HydrophobicContact CG2-CD1 3.64Å; V413-I477 HydrophobicContact CG1-CG2 4.22Å; V413-I477 HydrophobicContact CG2-CD1 4.07Å; V413-I477 HydrophobicContact CG2-CG2 4.1Å; V430-I477 HydrophobicContact CG1-CG2 3.59Å; S431-I477 CarbonylContact O-C 3.56Å; S431-I477 VanDerWaalsContact O-CA 3.29Å; S431-I477 WeakPolarHBondContact O-CA 3.32Å; I477-R509 CarbonylContact O-C 3.55Å; I477-R509 WeakPolarHBondContact O-CA 3.46Å; I477-V510 PolarHBondContact N-O 3.28Å; I477-V510 PolarHBondContact O-N 3.26Å; I477-I512 HydrophobicContact CD1-CD1 3.83Å; I477-I512 HydrophobicContact CD1-CG1 4.18Å; I477-I512 HydrophobicContact CD1-CG2 4.31Å
478	L	98.1	Very high	94.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	147	-178.4	-49.5	178.8	0	0	0	110.6	V430 S431 W438 E476 W507 H508 R509	V430-L478 CarbonylContact C-O 3.55Å; V430-L478 VanDerWaalsContact CA-O 3.24Å; V430-L478 WeakPolarHBondContact CA-O 3.29Å; V430-L478 VanDerWaalsContact CG1-O 3.23Å; V430-L478 WeakPolarHBondContact CG1-O 3.38Å; S431-L478 PolarHBondContact N-O 2.59Å; S431-L478 PolarHBondContact O-N 3.27Å; W438-L478 HydrophobicContact CH2-CB 4.28Å; W438-L478 HydrophobicContact CZ3-CB 4.41Å; E476-L478 HydrophobicContact CG-CD2 4.02Å; L478-W507 HydrophobicContact CD1-CE3 4.12Å; L478-H508 CarbonylContact C-O 3.58Å; L478-H508 VanDerWaalsContact CA-O 3.25Å; L478-H508 WeakPolarHBondContact CA-O 3.19Å; L478-R509 HydrophobicContact CD2-CB 3.72Å; L478-R509 HydrophobicContact CD2-CG 3.39Å
479	C	98.7	Very high	95.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	151.1	165.3	78.7	0	0	0	0	113	S393 I395 E429 V430 W460 W507 H508	S393-C479 PolarHBondContact OG-SG 2.8Å; I395-C479 HydrophobicContact CD1-CB 4.31Å; I395-C479 HydrophobicContact CG1-CB 3.92Å; E429-C479 VanDerWaalsContact O-CA 3.3Å; E429-C479 WeakPolarHBondContact O-CA 3.1Å; V430-C479 HydrophobicContact CG2-CB 4.4Å; W460-C479 HydrophobicContact CH2-CB 4.03Å; W460-C479 HydrophobicContact CZ2-CB 3.91Å; C479-W507 WeakPolarHBondContact O-CA 3.39Å; C479-H508 PolarHBondContact N-O 3.1Å; C479-H508 VanDerWaalsContact N-O 3.08Å; C479-H508 PolarHBondContact O-N 2.91Å
480	K	98.7	Very high	95.5	Very high	28 Å²	28	47.8 Å²	47.8	12%	0.122	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	149.1	171.6	68.6	-174.7	171.7	77	0	111.3	V428 E429 W438 Q489 W507	V428-K480 WeakPolarHBondContact CA-O 3.32Å; E429-K480 HydrophobicContact CB-CG 4.12Å; E429-K480 PolarHBondContact N-O 2.81Å; E429-K480 PolarHBondContact O-N 2.93Å; E429-K480 IonicContact OE1-NZ 2.82Å; E429-K480 PolarHBondContact OE1-NZ 3.39Å; E429-K480 IonicContact OE2-NZ 3.19Å; E429-K480 PolarHBondContact OE2-NZ 3.3Å; W438-K480 HydrophobicContact CD2-CD 4.49Å; W438-K480 HydrophobicContact CE3-CD 4.31Å; W438-K480 HydrophobicContact CE3-CG 4.26Å; W438-K480 HydrophobicContact CH2-CD 3.63Å; W438-K480 HydrophobicContact CH2-CG 3.98Å; W438-K480 HydrophobicContact CZ2-CD 3.84Å; W438-K480 VanDerWaalsContact CZ2-CE 3.47Å; W438-K480 HydrophobicContact CZ3-CB 4.48Å; W438-K480 HydrophobicContact CZ3-CD 3.89Å; W438-K480 HydrophobicContact CZ3-CG 3.78Å; K480-Q489 HydrophobicContact CB-CB 4.42Å; K480-W507 HydrophobicContact CB-CG 4.17Å; K480-W507 HydrophobicContact CD-CD2 4.49Å; K480-W507 HydrophobicContact CD-CZ2 4Å
481	A	98.8	Very high	96.1	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	156.3	174.1	0	0	0	0	0	112.3	V391 A417 V425 R427 V428	V391-A481 HydrophobicContact CG2-CB 3.8Å; A417-A481 HydrophobicContact CB-CB 3.84Å; V425-A481 HydrophobicContact CG1-CB 4.16Å; R427-A481 WeakPolarHBondContact O-CA 3.34Å; V428-A481 HydrophobicContact CG2-CB 4.14Å
482	T	98.6	Very high	96.7	Very high	4 Å²	4	45.2 Å²	45.2	3%	0.025	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	134	172.7	-58.3	0	0	0	0	109.4	V426 R427 N487 C488	V426-T482 HydrophobicContact CG2-CG2 4.11Å; V426-T482 WeakPolarHBondContact CG2-O 3.19Å; V426-T482 PolarHBondContact N-O 2.88Å; R427-T482 PolarHBondContact N-O 2.88Å; R427-T482 PolarHBondContact O-N 3Å; T482-N487 WeakPolarHBondContact CA-O 3.36Å; T482-C488 PolarHBondContact OG1-SG 2.78Å; T482-C488 VanDerWaalsContact OG1-SG 3.35Å
483	D	98.2	Very high	97	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	176.5	177.9	77.2	13.1	0	0	0	113.4	V391 S419 R423 H424 V426 S485 H486 N487	V391-D483 HydrophobicContact CB-CB 4.2Å; V391-D483 HydrophobicContact CG2-CB 4.25Å; S419-D483 PolarHBondContact OG-OD2 3.48Å; R423-D483 HydrophobicContact CB-CB 4.09Å; R423-D483 VanDerWaalsContact CD-OD2 3.22Å; R423-D483 WeakPolarHBondContact CD-OD2 3.28Å; R423-D483 IonicContact NE-OD2 3.49Å; R423-D483 PolarHBondContact NE-OD2 2.74Å; H424-D483 CarbonylContact O-C 3.53Å; H424-D483 VanDerWaalsContact O-C 3.24Å; H424-D483 WeakPolarHBondContact O-CA 3.41Å; V426-D483 WeakPolarHBondContact CG2-O 3.33Å; D483-S485 PolarHBondContact O-N 3.19Å; D483-S485 VanDerWaalsContact OD1-C 3.29Å; D483-S485 WeakPolarHBondContact OD1-CA 3.1Å; D483-S485 WeakPolarHBondContact OD1-CB 3.36Å; D483-S485 PolarHBondContact OD1-N 2.67Å; D483-H486 WeakPolarHBondContact O-CA 3.11Å; D483-H486 PolarHBondContact O-N 2.73Å; D483-H486 PolarHBondContact OD1-N 3.29Å; D483-H486 VanDerWaalsContact OD1-N 3.07Å; D483-N487 PolarHBondContact N-O 3.14Å; D483-N487 PolarHBondContact OD1-N 2.82Å; D483-N487 PolarHBondContact OD1-ND2 2.92Å; D483-N487 WeakPolarHBondContact OD2-CB 3.49Å; D483-N487 PolarHBondContact OD2-ND2 2.74Å
484	S	97.1	Very high	97.1	Very high	44 Å²	44	40 Å²	40	31%	0.308	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-9	-179.6	55.9	0	0	0	0	114.5	H424	H424-S484 PolarHBondContact N-OG 3.19Å; H424-S484 PolarHBondContact O-N 2.98Å
485	S	97.7	Very high	96.9	Very high	69 Å²	69	41.4 Å²	41.4	48%	0.483	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	10.1	169.6	-61.6	0	0	0	0	111.4	R423 D483 N487	R423-S485 WeakPolarHBondContact CD-OG 3.49Å; D483-S485 PolarHBondContact O-N 3.19Å; D483-S485 VanDerWaalsContact OD1-C 3.29Å; D483-S485 WeakPolarHBondContact OD1-CA 3.1Å; D483-S485 WeakPolarHBondContact OD1-CB 3.36Å; D483-S485 PolarHBondContact OD1-N 2.67Å; S485-N487 PolarHBondContact O-N 2.96Å
486	H	97.8	Very high	96.8	Very high	145 Å²	145	41.8 Å²	41.8	67%	0.671	26%	0.257	S	S	*	.			trans	60.5	19.6	-177.3	-60.5	-74.1	0	0	0	114.8	D483	D483-H486 WeakPolarHBondContact O-CA 3.11Å; D483-H486 PolarHBondContact O-N 2.73Å; D483-H486 PolarHBondContact OD1-N 3.29Å; D483-H486 VanDerWaalsContact OD1-N 3.07Å
487	N	98.4	Very high	96.7	Very high	79 Å²	79	43 Å²	43	42%	0.422	26%	0.261	S	S	.	.			trans	-63.9	141	167.4	-62.7	-63.1	0	0	0	109.1	V391 T482 D483 S485	V391-N487 HydrophobicContact CG1-CB 4.13Å; T482-N487 WeakPolarHBondContact CA-O 3.36Å; D483-N487 PolarHBondContact N-O 3.14Å; D483-N487 PolarHBondContact OD1-N 2.82Å; D483-N487 PolarHBondContact OD1-ND2 2.92Å; D483-N487 WeakPolarHBondContact OD2-CB 3.49Å; D483-N487 PolarHBondContact OD2-ND2 2.74Å; S485-N487 PolarHBondContact O-N 2.96Å
488	C	96.8	Very high	96.3	Very high	72 Å²	72	43 Å²	43	49%	0.486	26%	0.261	S	S	.	.	B	Isolated β-bridge	trans	-125.9	161.3	178.6	-65	0	0	0	0	110.7	T482	T482-C488 PolarHBondContact OG1-SG 2.78Å; T482-C488 VanDerWaalsContact OG1-SG 3.35Å
489	Q	98.5	Very high	95.7	Very high	9 Å²	9	43.6 Å²	43.6	4%	0.042	27%	0.265	C	S	.	.			trans	-81.8	138.9	176.5	-72.2	-179.3	-101.8	0	0	111.6	V391 S393 K480 N505 S506 W507	V391-Q489 HydrophobicContact CG1-CG 4.11Å; V391-Q489 WeakPolarHBondContact O-CG 3.38Å; S393-Q489 PolarHBondContact OG-OE1 3Å; K480-Q489 HydrophobicContact CB-CB 4.42Å; Q489-N505 WeakPolarHBondContact CB-O 3.33Å; Q489-N505 HydrophobicContact CG-CB 4.49Å; Q489-N505 WeakPolarHBondContact CG-O 3.28Å; Q489-N505 PolarHBondContact NE2-O 3.07Å; Q489-S506 PolarHBondContact NE2-O 3.19Å; Q489-W507 PolarHBondContact O-NE1 2.81Å
490	P	97.5	Very high	95.3	Very high	40 Å²	40	44.7 Å²	44.7	26%	0.26	27%	0.269	S	S	.	.			trans	-68.3	152.8	175	27.6	-32.9	0	0	0	111.7	S492 I496 N505 S506 W507	P490-S492 VanDerWaalsContact C-N 3.35Å; P490-S492 PolarHBondContact O-N 2.85Å; P490-I496 HydrophobicContact CB-CG2 4.43Å; P490-I496 HydrophobicContact CG-CD1 3.94Å; P490-I496 HydrophobicContact CG-CG1 4.39Å; P490-I496 HydrophobicContact CG-CG2 3.84Å; P490-N505 WeakPolarHBondContact CD-OD1 3.34Å; P490-S506 CarbonylContact O-C 3.38Å; P490-S506 WeakPolarHBondContact O-CA 3.23Å; P490-W507 PolarHBondContact O-N 2.8Å
491	E	96.9	Very high	95	Very high	105 Å²	105	43.3 Å²	43.3	49%	0.491	26%	0.264	S	S	.	.	S	Bend	trans	-65.3	-34.4	-176.1	171.8	171.1	179.4	0	0	114.3	W507 R509	E491-W507 HydrophobicContact CB-CD2 4.18Å; E491-W507 HydrophobicContact CB-CE3 4.07Å; E491-W507 HydrophobicContact CB-CH2 3.81Å; E491-W507 HydrophobicContact CB-CZ2 3.92Å; E491-W507 HydrophobicContact CB-CZ3 3.9Å; E491-W507 HydrophobicContact CG-CD2 4.36Å; E491-W507 HydrophobicContact CG-CE3 3.76Å; E491-W507 HydrophobicContact CG-CH2 3.85Å; E491-W507 HydrophobicContact CG-CZ2 4.43Å; E491-W507 HydrophobicContact CG-CZ3 3.49Å; E491-W507 VanDerWaalsContact CG-CZ3 3.49Å; E491-R509 PolarHBondContact O-NH2 3.26Å
492	S	95	Very high	94.8	Very high	49 Å²	49	43.5 Å²	43.5	34%	0.343	26%	0.264	S	S	.	.			trans	-137.1	146.6	-172.8	179.4	0	0	0	0	111.2	P490 S494 G495 S506	P490-S492 VanDerWaalsContact C-N 3.35Å; P490-S492 PolarHBondContact O-N 2.85Å; S492-S494 WeakPolarHBondContact CB-OG 3.23Å; S492-S494 PolarHBondContact O-N 3Å; S492-S494 PolarHBondContact OG-N 2.79Å; S492-S494 PolarHBondContact OG-OG 3.47Å; S492-G495 PolarHBondContact O-N 3.31Å; S492-S506 VanDerWaalsContact C-CB 3.44Å
493	S	94.3	Very high	94.7	Very high	27 Å²	27	45 Å²	45	19%	0.189	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-65.7	-23.8	173.3	58.1	0	0	0	0	112.2	D241 F242 G495 I496 W497	D241-S493 PolarHBondContact O-OG 3.06Å; F242-S493 VanDerWaalsContact CE1-O 3.3Å; F242-S493 WeakPolarHBondContact CE1-O 3.48Å; S493-G495 VanDerWaalsContact C-N 3.3Å; S493-G495 PolarHBondContact O-N 3.2Å; S493-I496 CarbonylContact O-C 3.59Å; S493-I496 WeakPolarHBondContact O-CG1 3.04Å; S493-I496 PolarHBondContact O-N 2.9Å; S493-I496 VanDerWaalsContact O-N 3.12Å; S493-W497 PolarHBondContact O-N 3.08Å
494	S	92.2	Very high	94.7	Very high	86 Å²	86	45 Å²	45	60%	0.601	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-57	-39.5	177.3	58.2	0	0	0	0	113.5	S492 I496 W497	S492-S494 WeakPolarHBondContact CB-OG 3.23Å; S492-S494 PolarHBondContact O-N 3Å; S492-S494 PolarHBondContact OG-N 2.79Å; S492-S494 PolarHBondContact OG-OG 3.47Å; S494-I496 PolarHBondContact O-N 2.78Å; S494-W497 PolarHBondContact O-N 3.44Å
495	G	89.9	Confident	94.7	Very high	68 Å²	68	43.7 Å²	43.7	70%	0.701	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-72.3	-12.5	-179.4	0	0	0	0	0	114.7	S492 S493	S492-G495 PolarHBondContact O-N 3.31Å; S493-G495 VanDerWaalsContact C-N 3.3Å; S493-G495 PolarHBondContact O-N 3.2Å
496	I	94.1	Very high	94.7	Very high	33 Å²	33	40.6 Å²	40.6	17%	0.169	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-125.3	18.9	179.6	57.8	167.7	0	0	0	111.7	F242 M368 P490 S493 S494 N498 N505	F242-I496 HydrophobicContact CE1-CG1 4.05Å; F242-I496 HydrophobicContact CZ-CD1 4.26Å; F242-I496 HydrophobicContact CZ-CG1 4.14Å; M368-I496 HydrophobicContact CE-CB 4.42Å; M368-I496 WeakPolarHBondContact CE-O 3.28Å; P490-I496 HydrophobicContact CB-CG2 4.43Å; P490-I496 HydrophobicContact CG-CD1 3.94Å; P490-I496 HydrophobicContact CG-CG1 4.39Å; P490-I496 HydrophobicContact CG-CG2 3.84Å; S493-I496 CarbonylContact O-C 3.59Å; S493-I496 WeakPolarHBondContact O-CG1 3.04Å; S493-I496 PolarHBondContact O-N 2.9Å; S493-I496 VanDerWaalsContact O-N 3.12Å; S494-I496 PolarHBondContact O-N 2.78Å; I496-N498 PolarHBondContact O-N 3.23Å; I496-N498 PolarHBondContact O-ND2 3.33Å; I496-N505 WeakPolarHBondContact CD1-OD1 3.5Å
497	W	94.4	Very high	94.8	Very high	45 Å²	45	35.3 Å²	35.3	17%	0.17	21%	0.214	C	C	.	.			trans	-61.9	140.8	-178.8	-175.6	95.4	0	0	0	110.9	F242 S243 V245 P371 P373 S493 S494	F242-W497 HydrophobicContact CD1-CB 4.5Å; F242-W497 AromaticContact CD1-CD1 3.96Å; F242-W497 HydrophobicContact CE1-CB 4.44Å; S243-W497 PolarHBondContact O-NE1 3.37Å; V245-W497 HydrophobicContact CG1-CZ2 4.26Å; P371-W497 HydrophobicContact CB-CE3 3.8Å; P371-W497 HydrophobicContact CB-CZ3 4.41Å; P371-W497 WeakPolarHBondContact CB-O 3.49Å; P373-W497 HydrophobicContact CG-CH2 4.37Å; S493-W497 PolarHBondContact O-N 3.08Å; S494-W497 PolarHBondContact O-N 3.44Å
498	N	91.5	Very high	94.8	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	20%	0.198	C	C	.	.			trans	-150.6	150.3	173.5	61.7	94.9	0	0	0	109.3	V245 M368 I496 R500 G501 F502	V245-N498 VanDerWaalsContact CG1-O 3.28Å; V245-N498 WeakPolarHBondContact CG1-O 3.24Å; M368-N498 HydrophobicContact CE-CB 3.92Å; M368-N498 VanDerWaalsContact CE-ND2 3.31Å; M368-N498 WeakPolarHBondContact CE-ND2 3.34Å; M368-N498 HydrophobicContact SD-CB 3.78Å; M368-N498 PolarHBondContact SD-ND2 3.04Å; I496-N498 PolarHBondContact O-N 3.23Å; I496-N498 PolarHBondContact O-ND2 3.33Å; N498-R500 PolarHBondContact O-N 3.38Å; N498-G501 PolarHBondContact O-N 2.85Å; N498-G501 PolarHBondContact OD1-N 3.21Å; N498-F502 PolarHBondContact ND2-O 2.85Å; N498-F502 PolarHBondContact OD1-N 2.84Å
499	S	85.6	Confident	94.8	Very high	13 Å²	13	32.5 Å²	32.5	9%	0.091	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-29	-172.9	62.1	0	0	0	0	115	R246 T369 F378	R246-S499 PolarHBondContact N-O 3.39Å; T369-S499 PolarHBondContact OG1-OG 3.28Å; F378-S499 WeakPolarHBondContact CE2-OG 3.33Å
500	R	88.6	Confident	94.7	Very high	22 Å²	22	32.2 Å²	32.2	8%	0.083	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-5.7	179.8	-64.2	-65.7	-66.5	139.2	-12.7	114	R239 R246 D365 N498 F502	R239-R500 PolarHBondContact NE-O 2.54Å; R239-R500 PolarHBondContact NH2-O 2.91Å; R239-R500 VanDerWaalsContact NH2-O 3.09Å; R246-R500 PolarHBondContact O-NH1 2.82Å; D365-R500 IonicContact OD1-CZ 3.02Å; D365-R500 IonicContact OD1-NE 3.86Å; D365-R500 PolarHBondContact OD1-NE 3.31Å; D365-R500 IonicContact OD1-NH2 3.1Å; D365-R500 PolarHBondContact OD1-NH2 3.08Å; D365-R500 IonicContact OD2-CZ 2.73Å; D365-R500 IonicContact OD2-NE 2.71Å; D365-R500 IonicContact OD2-NH2 2.82Å; D365-R500 PolarHBondContact OD2-NH2 3.31Å; N498-R500 PolarHBondContact O-N 3.38Å; R500-F502 VanDerWaalsContact C-N 3.28Å; R500-F502 HydrophobicContact CB-CD2 3.41Å; R500-F502 VanDerWaalsContact CB-CD2 3.41Å; R500-F502 HydrophobicContact CB-CE2 3.32Å; R500-F502 HydrophobicContact CB-CG 4.07Å; R500-F502 HydrophobicContact CB-CZ 3.94Å; R500-F502 HydrophobicContact CG-CD2 4.21Å; R500-F502 HydrophobicContact CG-CE2 3.79Å; R500-F502 HydrophobicContact CG-CZ 4.5Å; R500-F502 PolarHBondContact O-N 2.86Å
501	G	93	Very high	94.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	19%	0.19	C	C	.	.			trans	54.7	43.1	-176.8	0	0	0	0	0	112.7	R239 N498	R239-G501 PolarHBondContact NE-O 3.29Å; N498-G501 PolarHBondContact O-N 2.85Å; N498-G501 PolarHBondContact OD1-N 3.21Å
502	F	95.2	Very high	94.5	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.018	17%	0.167	C	C	.	.			trans	-89.8	164.8	172.2	-64.9	-45.7	0	0	0	111.6	A235 D365 Y366 I386 N498 R500 N504	A235-F502 HydrophobicContact CB-CD1 3.63Å; A235-F502 HydrophobicContact CB-CE1 4.04Å; A235-F502 HydrophobicContact CB-CG 4.2Å; A235-F502 CarbonylContact O-C 3.58Å; A235-F502 WeakPolarHBondContact O-CA 3.17Å; D365-F502 WeakPolarHBondContact OD1-CE2 3.41Å; D365-F502 WeakPolarHBondContact OD1-CZ 3.4Å; Y366-F502 AromaticContact CD1-CE1 3.97Å; Y366-F502 HydrophobicContact CD1-CE1 3.97Å; Y366-F502 AromaticContact CD1-CZ 3.93Å; Y366-F502 HydrophobicContact CD1-CZ 3.93Å; Y366-F502 HydrophobicContact CE1-CE1 4.05Å; Y366-F502 HydrophobicContact CE1-CZ 4.25Å; Y366-F502 HydrophobicContact CG-CZ 4.49Å; I386-F502 HydrophobicContact CD1-CB 4.13Å; I386-F502 HydrophobicContact CD1-CD2 4.38Å; I386-F502 HydrophobicContact CD1-CG 4.39Å; N498-F502 PolarHBondContact ND2-O 2.85Å; N498-F502 PolarHBondContact OD1-N 2.84Å; R500-F502 VanDerWaalsContact C-N 3.28Å; R500-F502 HydrophobicContact CB-CD2 3.41Å; R500-F502 VanDerWaalsContact CB-CD2 3.41Å; R500-F502 HydrophobicContact CB-CE2 3.32Å; R500-F502 HydrophobicContact CB-CG 4.07Å; R500-F502 HydrophobicContact CB-CZ 3.94Å; R500-F502 HydrophobicContact CG-CD2 4.21Å; R500-F502 HydrophobicContact CG-CE2 3.79Å; R500-F502 HydrophobicContact CG-CZ 4.5Å; R500-F502 PolarHBondContact O-N 2.86Å; F502-N504 VanDerWaalsContact C-N 3.25Å; F502-N504 PolarHBondContact O-N 2.9Å
503	L	96.4	Very high	94.5	Very high	34 Å²	34	28.5 Å²	28.5	18%	0.178	16%	0.163	C	C	.	.			trans	57.1	33.4	170.4	-55.4	-178.6	0	0	0	114	A235 M368 I386 L389 N505	A235-L503 PolarHBondContact O-N 2.69Å; M368-L503 HydrophobicContact CB-CD1 4.01Å; M368-L503 HydrophobicContact CG-CD1 4.25Å; M368-L503 HydrophobicContact SD-CB 4.33Å; M368-L503 HydrophobicContact SD-CD1 3.97Å; M368-L503 HydrophobicContact SD-CG 4.42Å; I386-L503 HydrophobicContact CD1-CD1 4.02Å; I386-L503 HydrophobicContact CD1-CD2 3.91Å; I386-L503 HydrophobicContact CD1-CG 3.82Å; I386-L503 HydrophobicContact CG1-CD1 4.19Å; I386-L503 HydrophobicContact CG1-CD2 4.35Å; I386-L503 HydrophobicContact CG1-CG 4.45Å; I386-L503 HydrophobicContact CG2-CD2 3.97Å; L389-L503 HydrophobicContact CD2-CD2 3.35Å; L503-N505 PolarHBondContact O-N 2.9Å
504	N	97.4	Very high	94.6	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.011	16%	0.158	C	C	.	.			trans	-68.6	103.3	171.7	-167.2	-5.4	0	0	0	110	R238 D241 F242 F502 S506	R238-N504 HydrophobicContact CB-CB 4.05Å; R238-N504 PolarHBondContact O-ND2 2.84Å; D241-N504 WeakPolarHBondContact CB-ND2 3.28Å; D241-N504 PolarHBondContact OD2-ND2 2.73Å; F242-N504 HydrophobicContact CD2-CB 4.14Å; F242-N504 HydrophobicContact CE2-CB 3.44Å; F242-N504 VanDerWaalsContact CE2-CB 3.44Å; F242-N504 HydrophobicContact CZ-CB 3.78Å; F502-N504 VanDerWaalsContact C-N 3.25Å; F502-N504 PolarHBondContact O-N 2.9Å; N504-S506 PolarHBondContact OD1-N 2.87Å; N504-S506 PolarHBondContact OD1-OG 3.38Å
505	N	98	Very high	94.5	Very high	16 Å²	16	28.9 Å²	28.9	9%	0.086	15%	0.154	C	C	.	.			trans	-122.2	19.8	171.5	77	-36.7	0	0	0	111.8	P390 V391 Q489 P490 I496 L503	P390-N505 HydrophobicContact CG-CB 4.1Å; V391-N505 VanDerWaalsContact O-CB 3.29Å; V391-N505 WeakPolarHBondContact O-CB 3.32Å; V391-N505 PolarHBondContact O-ND2 2.87Å; Q489-N505 WeakPolarHBondContact CB-O 3.33Å; Q489-N505 HydrophobicContact CG-CB 4.49Å; Q489-N505 WeakPolarHBondContact CG-O 3.28Å; Q489-N505 PolarHBondContact NE2-O 3.07Å; P490-N505 WeakPolarHBondContact CD-OD1 3.34Å; I496-N505 WeakPolarHBondContact CD1-OD1 3.5Å; L503-N505 PolarHBondContact O-N 2.9Å
506	S	98	Very high	94.3	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.028	15%	0.146	C	C	.	.	S	Bend	trans	-62.8	165.8	174.3	62.6	0	0	0	0	112.2	R238 Q489 P490 S492 N504 H508	R238-S506 PolarHBondContact NH1-O 2.78Å; R238-S506 PolarHBondContact NH2-O 2.84Å; R238-S506 VanDerWaalsContact NH2-O 3.14Å; Q489-S506 PolarHBondContact NE2-O 3.19Å; P490-S506 CarbonylContact O-C 3.38Å; P490-S506 WeakPolarHBondContact O-CA 3.23Å; S492-S506 VanDerWaalsContact C-CB 3.44Å; N504-S506 PolarHBondContact OD1-N 2.87Å; N504-S506 PolarHBondContact OD1-OG 3.38Å; S506-H508 PolarHBondContact O-N 2.93Å; S506-H508 VanDerWaalsContact O-N 3.16Å
507	W	98.5	Very high	93.2	Very high	34 Å²	34	41.4 Å²	41.4	13%	0.129	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-54.7	124.3	175.5	-59.3	-7.2	0	0	0	110.2	W438 L478 C479 K480 Q489 P490 E491 R509	W438-W507 AromaticContact CH2-CD2 3.87Å; W438-W507 HydrophobicContact CH2-CD2 3.87Å; W438-W507 AromaticContact CH2-CE3 3.75Å; W438-W507 HydrophobicContact CH2-CE3 3.75Å; W438-W507 HydrophobicContact CH2-CH2 4.29Å; W438-W507 HydrophobicContact CH2-CZ2 4.4Å; W438-W507 AromaticContact CH2-CZ3 3.97Å; W438-W507 HydrophobicContact CH2-CZ3 3.97Å; W438-W507 HydrophobicContact CZ2-CD2 4.25Å; W438-W507 AromaticContact CZ2-CE3 3.91Å; W438-W507 HydrophobicContact CZ2-CE3 3.91Å; W438-W507 AromaticContact CZ2-CH2 3.68Å; W438-W507 HydrophobicContact CZ2-CH2 3.68Å; W438-W507 HydrophobicContact CZ2-CZ2 4.03Å; W438-W507 AromaticContact CZ2-CZ3 3.61Å; W438-W507 HydrophobicContact CZ2-CZ3 3.61Å; L478-W507 HydrophobicContact CD1-CE3 4.12Å; C479-W507 WeakPolarHBondContact O-CA 3.39Å; K480-W507 HydrophobicContact CB-CG 4.17Å; K480-W507 HydrophobicContact CD-CD2 4.49Å; K480-W507 HydrophobicContact CD-CZ2 4Å; Q489-W507 PolarHBondContact O-NE1 2.81Å; P490-W507 PolarHBondContact O-N 2.8Å; E491-W507 HydrophobicContact CB-CD2 4.18Å; E491-W507 HydrophobicContact CB-CE3 4.07Å; E491-W507 HydrophobicContact CB-CH2 3.81Å; E491-W507 HydrophobicContact CB-CZ2 3.92Å; E491-W507 HydrophobicContact CB-CZ3 3.9Å; E491-W507 HydrophobicContact CG-CD2 4.36Å; E491-W507 HydrophobicContact CG-CE3 3.76Å; E491-W507 HydrophobicContact CG-CH2 3.85Å; E491-W507 HydrophobicContact CG-CZ2 4.43Å; E491-W507 HydrophobicContact CG-CZ3 3.49Å; E491-W507 VanDerWaalsContact CG-CZ3 3.49Å; W507-R509 WeakPolarHBondContact O-CG 3.19Å
508	H	98.4	Very high	93.1	Very high	18 Å²	18	41.3 Å²	41.3	8%	0.083	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	138.4	177.5	-174.1	-117.2	0	0	0	109.7	R238 D241 A394 I395 L478 C479 S506	R238-H508 PolarHBondContact NE-CD2 2.81Å; R238-H508 VanDerWaalsContact NH2-CA 3.34Å; D241-H508 IonicContact OD2-CD2 2.91Å; A394-H508 HydrophobicContact CB-CB 4.4Å; I395-H508 WeakPolarHBondContact CB-ND1 3.28Å; I395-H508 PolarHBondContact N-ND1 3.41Å; I395-H508 PolarHBondContact O-CE1 2.93Å; I395-H508 VanDerWaalsContact O-CE1 3.27Å; L478-H508 CarbonylContact C-O 3.58Å; L478-H508 VanDerWaalsContact CA-O 3.25Å; L478-H508 WeakPolarHBondContact CA-O 3.19Å; C479-H508 PolarHBondContact N-O 3.1Å; C479-H508 VanDerWaalsContact N-O 3.08Å; C479-H508 PolarHBondContact O-N 2.91Å; S506-H508 PolarHBondContact O-N 2.93Å; S506-H508 VanDerWaalsContact O-N 3.16Å
509	R	97.2	Very high	93.2	Very high	73 Å²	73	43.4 Å²	43.4	28%	0.275	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	128.9	-173.9	-41.7	-162.3	162.9	-123.5	-2.8	109.9	N434 E476 I477 L478 E491 W507	N434-R509 PolarHBondContact OD1-NH1 3.27Å; E476-R509 HydrophobicContact CG-CB 4.18Å; E476-R509 IonicContact OE2-NH1 4Å; E476-R509 PolarHBondContact OE2-NH1 3.11Å; E476-R509 VanDerWaalsContact OE2-NH1 3.1Å; I477-R509 CarbonylContact O-C 3.55Å; I477-R509 WeakPolarHBondContact O-CA 3.46Å; L478-R509 HydrophobicContact CD2-CB 3.72Å; L478-R509 HydrophobicContact CD2-CG 3.39Å; E491-R509 PolarHBondContact O-NH2 3.26Å; W507-R509 WeakPolarHBondContact O-CG 3.19Å
510	V	96	Very high	93.6	Very high	4 Å²	4	45.1 Å²	45.1	2%	0.024	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	124.8	176.2	169.5	0	0	0	0	108.7	I395 P398 N400 I477 I512	I395-V510 HydrophobicContact CB-CB 4.48Å; I395-V510 HydrophobicContact CB-CG2 3.65Å; I395-V510 HydrophobicContact CD1-CB 4.07Å; I395-V510 HydrophobicContact CD1-CG2 3.99Å; I395-V510 HydrophobicContact CG1-CG2 4.34Å; I395-V510 HydrophobicContact CG2-CB 4.32Å; I395-V510 HydrophobicContact CG2-CG2 3.82Å; P398-V510 WeakPolarHBondContact O-CG1 3.28Å; N400-V510 HydrophobicContact CB-CG1 4.41Å; I477-V510 PolarHBondContact N-O 3.28Å; I477-V510 PolarHBondContact O-N 3.26Å; V510-I512 HydrophobicContact CG1-CG2 4.11Å
511	K	96	Very high	93.9	Very high	75 Å²	75	46.5 Å²	46.5	33%	0.326	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	136.8	173.1	-63	177.3	171.1	-156.4	0	109.7	N400 G401 E474 Y475	N400-K511 WeakPolarHBondContact OD1-CB 3.41Å; N400-K511 PolarHBondContact OD1-N 3.1Å; G401-K511 PolarHBondContact N-O 3.44Å; E474-K511 HydrophobicContact CG-CB 4.34Å; E474-K511 IonicContact OE1-NZ 2.9Å; Y475-K511 WeakPolarHBondContact O-CA 3.33Å
512	I	95.5	Very high	94	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	155.4	172.4	63.1	160.9	0	0	0	110.1	P398 C402 F404 V411 L466 E474 Y475 I477 V510	P398-I512 HydrophobicContact CB-CG2 4.16Å; P398-I512 HydrophobicContact CG-CG2 3.5Å; P398-I512 VanDerWaalsContact CG-CG2 3.5Å; C402-I512 CarbonylContact O-C 3.6Å; C402-I512 WeakPolarHBondContact O-CA 3.46Å; F404-I512 HydrophobicContact CD2-CB 4.35Å; F404-I512 HydrophobicContact CD2-CD1 3.95Å; F404-I512 HydrophobicContact CE2-CB 4.26Å; F404-I512 HydrophobicContact CE2-CD1 3.92Å; F404-I512 HydrophobicContact CE2-CG2 4.17Å; V411-I512 HydrophobicContact CG1-CD1 3.94Å; V411-I512 HydrophobicContact CG2-CD1 4.31Å; L466-I512 HydrophobicContact CD1-CD1 4.32Å; L466-I512 HydrophobicContact CD2-CD1 3.93Å; E474-I512 CarbonylContact C-O 3.58Å; E474-I512 WeakPolarHBondContact CA-O 3.43Å; Y475-I512 PolarHBondContact N-O 2.91Å; Y475-I512 PolarHBondContact O-N 3.41Å; I477-I512 HydrophobicContact CD1-CD1 3.83Å; I477-I512 HydrophobicContact CD1-CG1 4.18Å; I477-I512 HydrophobicContact CD1-CG2 4.31Å; V510-I512 HydrophobicContact CG1-CG2 4.11Å
513	C	95.5	Very high	93.9	Very high	40 Å²	40	52.4 Å²	52.4	27%	0.27	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	147.1	175	-65.4	0	0	0	0	110.2	C402 T403 F404 N473	C402-C513 PolarHBondContact O-N 3.38Å; T403-C513 CarbonylContact C-O 3.26Å; T403-C513 WeakPolarHBondContact CA-O 3.23Å; T403-C513 HydrophobicContact CG2-CB 4.25Å; F404-C513 PolarHBondContact N-O 3Å; N473-C513 CarbonylContact O-C 3.36Å; N473-C513 VanDerWaalsContact O-CA 3.28Å; N473-C513 WeakPolarHBondContact O-CA 3.09Å
514	V	94.7	Very high	93.7	Very high	13 Å²	13	53.7 Å²	53.7	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	125.4	167	178.6	0	0	0	0	107.3	F404 P405 L466 N473 Y475 S516	F404-V514 HydrophobicContact CB-CG2 4.37Å; F404-V514 WeakPolarHBondContact O-CA 3.5Å; P405-V514 WeakPolarHBondContact O-CG1 3.33Å; L466-V514 HydrophobicContact CD1-CG2 3.68Å; N473-V514 VanDerWaalsContact CB-O 3.28Å; N473-V514 WeakPolarHBondContact CB-O 3.3Å; N473-V514 PolarHBondContact O-N 3.29Å; Y475-V514 HydrophobicContact CD2-CG2 3.85Å; Y475-V514 HydrophobicContact CE2-CB 4.12Å; Y475-V514 HydrophobicContact CE2-CG2 3.6Å; V514-S516 PolarHBondContact O-N 3.19Å
515	E	91.6	Very high	93.4	Very high	109 Å²	109	57.7 Å²	57.7	51%	0.509	26%	0.264	S	S	.	.			trans	-54.1	136.8	-177.7	-65.9	171.4	164.2	0	0	111.6	T403 F404 S406	T403-E515 HydrophobicContact CG2-CG 3.62Å; F404-E515 PolarHBondContact O-N 3.42Å; S406-E515 WeakPolarHBondContact CA-O 3.43Å; S406-E515 VanDerWaalsContact CB-O 3.23Å; S406-E515 WeakPolarHBondContact CB-O 3.45Å; S406-E515 PolarHBondContact OG-O 2.73Å
516	S	84.1	Confident	93.1	Very high	77 Å²	77	61.2 Å²	61.2	54%	0.538	28%	0.279	S	S	.	.			trans	-59.1	149.9	167.9	49.9	0	0	0	0	110	V514	V514-S516 PolarHBondContact O-N 3.19Å
517	R	71.3	Confident	92.6	Very high	287 Å²	287	66.4 Å²	66.4	100%	1.083	30%	0.302	S	S	*	.			trans	-64.8	0	174.5	-76.4	-173.6	-179.9	-177	1.2	112.9	S406	S406-R517 WeakPolarHBondContact OG-CA 3.43Å; S406-R517 WeakPolarHBondContact OG-CG 3.33Å; S406-R517 PolarHBondContact OG-N 3.06Å

Retrieved 517 of 517 residues in 403.9 ms (Link to these results)

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