A0A096MSQ3_PAPAN Loading...

Protein O-glucosyltransferase 3

Protein glucosyltransferase that catalyzes the transfer of glucose from UDP-glucose to a serine residue within the consensus sequence peptide C-X-N-T-X-G-S-F-X-C. Can also catalyze the transfer of xylose from UDP-xylose but less efficiently. Specifically targets extracellular EGF repeats of proteins such as NOTCH1, NOTCH3, FBN1, FBN2 and LTBP1. May regulate the transport of NOTCH1 and NOTCH3 to the plasma membrane and thereby the Notch signaling pathway.

AlphaFold DB (A0A2K5MLY9), UniProt , Accession A0A096MSQ3, Species PAPAN (Papio anubis, Olive baboon), Gene POGLUT3, Length 507 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42	Very low	38.8	Very low	242 Å²	242	170.9 Å²	170.9	100%	1.192	87%	0.87	S	S	*	*				0	105.8	0	-77.3	175.8	180	0	0	109.2
2	R	33.2	Very low	39	Very low	253 Å²	253	170.9 Å²	170.9	96%	0.955	87%	0.872	S	S	*	*			trans	-172.3	127.3	150.7	-101.2	168.7	-170.9	-161.1	2.6	107.6
3	S	36.5	Very low	38.5	Very low	105 Å²	105	176 Å²	176	73%	0.734	87%	0.873	S	S	*	*			trans	-48.2	163.2	176.3	51.5	0	0	0	0	115.9
4	L	38.8	Very low	38.6	Very low	161 Å²	161	176.4 Å²	176.4	84%	0.843	88%	0.879	S	S	*	*			cis	-177.3	-175.6	-9.9	-110.2	135.2	0	0	0	104
5	P	57.3	Low	38.9	Very low	99 Å²	99	170.7 Å²	170.7	64%	0.643	87%	0.87	S	S	*	*				-136.1	-168.3	-77.6	42	-20.9	0	0	0	115.7
6	R	37.6	Very low	38.6	Very low	241 Å²	241	169.8 Å²	169.8	91%	0.909	87%	0.867	S	S	*	*			trans	74.4	107.9	157.1	-73.4	-179.1	173.1	179.5	-2.1	119.3
7	A	32.8	Very low	38.3	Very low	105 Å²	105	170.6 Å²	170.6	87%	0.868	87%	0.873	S	S	*	*				-157.3	119.7	119.4	0	0	0	0	0	110
8	L	35.8	Very low	38.3	Very low	164 Å²	164	167 Å²	167	86%	0.859	86%	0.86	S	S	*	*			trans	-72.2	137.5	-178.9	-131.6	81	0	0	0	110.4	L10	L8-L10 PolarHBondContact O-N 3.01Å
9	L	39.7	Very low	38.3	Very low	152 Å²	152	162.9 Å²	162.9	80%	0.796	85%	0.854	S	S	*	*			trans	-2.9	114	143.6	-73.4	128.3	0	0	0	116.3
10	L	33.1	Very low	38.2	Very low	166 Å²	166	159.7 Å²	159.7	87%	0.869	85%	0.851	S	S	*	*			trans	-170.1	67.3	131.7	-124.2	96.8	0	0	0	110.7	L8	L8-L10 PolarHBondContact O-N 3.01Å
11	Q	40.4	Very low	38.4	Very low	192 Å²	192	155.2 Å²	155.2	90%	0.897	84%	0.843	S	S	*	*			trans	-88.6	99.1	161.3	-79.4	-171.5	-14.5	0	0	108.4
12	L	40.2	Very low	38.5	Very low	171 Å²	171	148 Å²	148	90%	0.895	82%	0.822	S	S	*	*			trans	174.7	64.7	151.9	-106.4	140.6	0	0	0	111.1
13	R	32.6	Very low	39.4	Very low	237 Å²	237	141.4 Å²	141.4	89%	0.894	81%	0.812	S	S	*	*			trans	-151.3	71.2	160	-73.8	-159.3	178.4	-168.7	-0.4	110
14	L	40.2	Very low	40.4	Very low	182 Å²	182	143.7 Å²	143.7	95%	0.953	81%	0.811	S	S	*	*			trans	-143	61.8	168.5	-145.7	91.5	0	0	0	110.4
15	A	43.8	Very low	41.6	Very low	90 Å²	90	139.8 Å²	139.8	74%	0.744	79%	0.793	S	S	*	*			trans	-170.5	83.7	164.4	0	0	0	0	0	108.9
16	L	33.9	Very low	42.8	Very low	156 Å²	156	141.1 Å²	141.1	82%	0.817	79%	0.794	S	S	*	*			trans	-178.2	63.8	158.4	-98.6	146.2	0	0	0	107.8	V18	L16-V18 HydrophobicContact CD2-CG2 3.46Å; L16-V18 VanDerWaalsContact CD2-CG2 3.46Å; L16-V18 PolarHBondContact O-N 3.17Å; L16-V18 VanDerWaalsContact O-N 3.13Å
17	L	33.8	Very low	45.3	Very low	185 Å²	185	130.4 Å²	130.4	97%	0.969	76%	0.756	S	S	*	*			trans	-77.8	80.2	151	-94.6	138.6	0	0	0	105.7	A19	L17-A19 PolarHBondContact O-N 3.43Å
18	V	36.7	Very low	48.2	Very low	105 Å²	105	126.4 Å²	126.4	64%	0.636	72%	0.721	S	S	*	*			trans	-55.8	125	160	175.5	0	0	0	0	105.7	L16 A20	L16-V18 HydrophobicContact CD2-CG2 3.46Å; L16-V18 VanDerWaalsContact CD2-CG2 3.46Å; L16-V18 PolarHBondContact O-N 3.17Å; L16-V18 VanDerWaalsContact O-N 3.13Å; V18-A20 PolarHBondContact O-N 3.48Å
19	A	38.9	Very low	51	Low	90 Å²	90	118.6 Å²	118.6	74%	0.744	68%	0.681	S	S	*	*			trans	-49.3	105.4	168.3	0	0	0	0	0	108.3	L17 G21	L17-A19 PolarHBondContact O-N 3.43Å; A19-G21 VanDerWaalsContact C-N 3.34Å; A19-G21 PolarHBondContact O-N 3.2Å
20	A	37.2	Very low	53.7	Low	98 Å²	98	115.4 Å²	115.4	81%	0.81	67%	0.669	S	S	*	*			trans	-62.1	104.4	164.6	0	0	0	0	0	105.6	V18 A22	V18-A20 PolarHBondContact O-N 3.48Å; A20-A22 PolarHBondContact O-N 3.2Å
21	G	42	Very low	56.7	Low	66 Å²	66	113.6 Å²	113.6	68%	0.68	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-50.7	141	166.7	0	0	0	0	0	108.3	A19	A19-G21 VanDerWaalsContact C-N 3.34Å; A19-G21 PolarHBondContact O-N 3.2Å
22	A	44.9	Very low	59.3	Low	91 Å²	91	104.5 Å²	104.5	75%	0.752	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-47.2	139.5	171.7	0	0	0	0	0	109.1	A20 E24	A20-A22 PolarHBondContact O-N 3.2Å; A22-E24 PolarHBondContact O-N 3.25Å
23	P	50.4	Low	62.1	Low	113 Å²	113	100.3 Å²	100.3	73%	0.734	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-51.6	130.8	-179.6	19.9	-30.7	0	0	0	109.1	V25	P23-V25 PolarHBondContact O-N 3.24Å
24	E	57.5	Low	65.2	Low	154 Å²	154	89.7 Å²	89.7	72%	0.72	55%	0.548	S	S	*	.			trans	-55.3	109.1	173.9	-79.1	-175.7	161	0	0	107.7	A22 L26	A22-E24 PolarHBondContact O-N 3.25Å; E24-L26 PolarHBondContact O-N 2.93Å
25	V	64.4	Low	68	Low	78 Å²	78	86.4 Å²	86.4	47%	0.473	52%	0.523	S	S	.	.			trans	-71.6	100	177.5	-174.6	0	0	0	0	106.8	P23 V27 N56 L62	P23-V25 PolarHBondContact O-N 3.24Å; V25-V27 PolarHBondContact O-N 3.27Å; V25-N56 HydrophobicContact CG1-CB 3.6Å; V25-L62 HydrophobicContact CB-CD2 4.37Å; V25-L62 HydrophobicContact CG1-CD2 3.52Å
26	L	82.3	Confident	70.5	Confident	127 Å²	127	83 Å²	83	67%	0.665	50%	0.496	S	S	*	.			trans	-67.3	124.6	-180	-71	164.3	0	0	0	109.8	E24	E24-L26 PolarHBondContact O-N 2.93Å
27	V	90.4	Very high	73.5	Confident	16 Å²	16	76.3 Å²	76.3	10%	0.097	46%	0.462	C	S	.	.	B	Isolated β-bridge	trans	-68.6	132	172.1	-180	0	0	0	0	109.1	V25 A54 L62 P66 F72 Y120	V25-V27 PolarHBondContact O-N 3.27Å; V27-A54 HydrophobicContact CG1-CB 4.12Å; V27-A54 HydrophobicContact CG2-CB 4.13Å; V27-L62 HydrophobicContact CG2-CD1 3.85Å; V27-P66 HydrophobicContact CG2-CB 4.3Å; V27-P66 HydrophobicContact CG2-CG 3.41Å; V27-P66 VanDerWaalsContact CG2-CG 3.41Å; V27-F72 HydrophobicContact CG1-CZ 4.36Å; V27-Y120 HydrophobicContact CB-CD2 4.22Å; V27-Y120 HydrophobicContact CB-CE1 4.02Å; V27-Y120 HydrophobicContact CB-CE2 3.51Å; V27-Y120 VanDerWaalsContact CB-CZ 3.46Å; V27-Y120 HydrophobicContact CG1-CD2 3.87Å; V27-Y120 HydrophobicContact CG1-CE2 3.63Å; V27-Y120 HydrophobicContact CG1-CG 4.38Å; V27-Y120 HydrophobicContact CG2-CE2 3.64Å
28	S	93.7	Very high	76.6	Confident	21 Å²	21	67.5 Å²	67.5	15%	0.147	42%	0.416	C	S	.	.			trans	-93.2	107	168.2	179.5	0	0	0	0	109.1	R31 S32 V55	S28-R31 PolarHBondContact O-N 2.72Å; S28-R31 WeakPolarHBondContact OG-CG 3.4Å; S28-S32 WeakPolarHBondContact O-CB 3.39Å; S28-S32 PolarHBondContact O-N 2.93Å; S28-S32 PolarHBondContact O-OG 3.35Å; S28-V55 PolarHBondContact N-O 2.77Å
29	A	94.2	Very high	79.5	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-49.5	174.9	0	0	0	0	0	113.1	R31 S32 E123 V125 A126	A29-R31 VanDerWaalsContact C-N 3.31Å; A29-R31 PolarHBondContact O-N 3.47Å; A29-S32 PolarHBondContact O-N 3.34Å; A29-E123 HydrophobicContact CB-CB 3.8Å; A29-V125 HydrophobicContact CB-CG2 4.34Å; A29-V125 WeakPolarHBondContact O-CA 3.41Å; A29-A126 PolarHBondContact O-N 2.88Å
30	P	95.9	Very high	82.2	Confident	85 Å²	85	63.9 Å²	63.9	55%	0.552	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-23.7	-177.8	26.4	-35.9	0	0	0	114.1
31	R	96.1	Very high	85.1	Confident	128 Å²	128	60.2 Å²	60.2	48%	0.483	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-17.4	177.4	-65.5	-176.1	171.3	-140.5	0.8	113.7	S28 A29 V55 S57 E58 G59	S28-R31 PolarHBondContact O-N 2.72Å; S28-R31 WeakPolarHBondContact OG-CG 3.4Å; A29-R31 VanDerWaalsContact C-N 3.31Å; A29-R31 PolarHBondContact O-N 3.47Å; R31-V55 HydrophobicContact CB-CB 4.26Å; R31-V55 HydrophobicContact CB-CG1 3.83Å; R31-V55 WeakPolarHBondContact O-CB 3.41Å; R31-V55 WeakPolarHBondContact O-CG2 3.23Å; R31-S57 PolarHBondContact NE-O 2.78Å; R31-S57 PolarHBondContact NH1-O 3.3Å; R31-E58 PolarHBondContact NH1-O 3.34Å; R31-E58 VanDerWaalsContact NH1-O 3.15Å; R31-G59 VanDerWaalsContact NH1-N 3.18Å
32	S	96.8	Very high	87.6	Confident	2 Å²	2	59 Å²	59	1%	0.014	33%	0.331	C	S	.	.	S	Bend	trans	-61.6	158.6	175.8	-68.5	0	0	0	0	110.6	S28 A29 Q53 V55 A126	S28-S32 WeakPolarHBondContact O-CB 3.39Å; S28-S32 PolarHBondContact O-N 2.93Å; S28-S32 PolarHBondContact O-OG 3.35Å; A29-S32 PolarHBondContact O-N 3.34Å; S32-Q53 WeakPolarHBondContact CA-O 3.47Å; S32-Q53 WeakPolarHBondContact CB-O 3.41Å; S32-V55 PolarHBondContact OG-N 3.37Å; S32-V55 VanDerWaalsContact OG-N 3.15Å; S32-A126 WeakPolarHBondContact O-CB 3.44Å
33	L	97.8	Very high	90.1	Very high	82 Å²	82	54.8 Å²	54.8	43%	0.429	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	149.3	-172.8	-45.6	172.8	0	0	0	111.3	W35 L52 Q53 V55	L33-W35 HydrophobicContact CB-CE3 4.14Å; L33-W35 HydrophobicContact CB-CZ3 4.07Å; L33-L52 CarbonylContact O-C 3.43Å; L33-L52 VanDerWaalsContact O-CA 3.29Å; L33-L52 WeakPolarHBondContact O-CA 3.44Å; L33-Q53 HydrophobicContact CB-CB 4.02Å; L33-Q53 HydrophobicContact CD1-CB 4.35Å; L33-Q53 HydrophobicContact CD1-CG 4.32Å; L33-Q53 HydrophobicContact CG-CB 4.34Å; L33-Q53 PolarHBondContact N-O 2.87Å; L33-Q53 PolarHBondContact O-N 3.18Å; L33-V55 HydrophobicContact CG-CG2 4.23Å
34	V	98.5	Very high	92.3	Very high	14 Å²	14	49.7 Å²	49.7	9%	0.085	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	125.2	177.9	-173.1	0	0	0	0	109.3	L39 F50 Y51 L52 V118 V125 A126 Y130	V34-L39 HydrophobicContact CG1-CD1 3.73Å; V34-L39 HydrophobicContact CG1-CD2 4.46Å; V34-F50 HydrophobicContact CG1-CD2 3.64Å; V34-F50 HydrophobicContact CG1-CE2 3.81Å; V34-Y51 VanDerWaalsContact CA-O 3.32Å; V34-Y51 WeakPolarHBondContact CA-O 3.31Å; V34-L52 HydrophobicContact CB-CD2 4.11Å; V34-L52 HydrophobicContact CG1-CD2 3.78Å; V34-L52 HydrophobicContact CG2-CD2 3.52Å; V34-V118 HydrophobicContact CG1-CG2 4.44Å; V34-V125 HydrophobicContact CG2-CB 4.5Å; V34-V125 HydrophobicContact CG2-CG1 3.68Å; V34-A126 HydrophobicContact CG2-CB 4.23Å; V34-Y130 HydrophobicContact CB-CE1 4.1Å; V34-Y130 HydrophobicContact CB-CE2 4.32Å; V34-Y130 WeakPolarHBondContact CB-OH 3.22Å; V34-Y130 HydrophobicContact CG1-CE1 4.09Å; V34-Y130 HydrophobicContact CG1-CE2 4.05Å; V34-Y130 HydrophobicContact CG2-CE2 4.34Å; V34-Y130 WeakPolarHBondContact CG2-OH 3.13Å
35	W	98.1	Very high	94.1	Very high	113 Å²	113	42.6 Å²	42.6	43%	0.428	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	156	-178.8	72.7	101.8	0	0	0	111.8	L33 F50 Y51 Q53	L33-W35 HydrophobicContact CB-CE3 4.14Å; L33-W35 HydrophobicContact CB-CZ3 4.07Å; W35-F50 CarbonylContact O-C 3.59Å; W35-F50 WeakPolarHBondContact O-CB 3.43Å; W35-Y51 HydrophobicContact CZ2-CD2 4.43Å; W35-Y51 HydrophobicContact CZ2-CG 4.12Å; W35-Y51 PolarHBondContact N-O 3.01Å; W35-Y51 VanDerWaalsContact N-O 3.1Å; W35-Y51 AromaticContact NE1-CD2 3.65Å; W35-Y51 PolarHBondContact O-N 3.09Å; W35-Q53 HydrophobicContact CH2-CB 3.83Å; W35-Q53 HydrophobicContact CZ3-CB 3.56Å
36	G	97.3	Very high	95.7	Very high	18 Å²	18	39 Å²	39	19%	0.186	21%	0.208	C	C	.	.	S	Bend	trans	143.2	171.2	171.4	0	0	0	0	0	113.8	G38 L39	G36-G38 VanDerWaalsContact C-N 3.27Å; G36-G38 PolarHBondContact O-N 2.85Å; G36-L39 PolarHBondContact O-N 2.73Å
37	P	97.4	Very high	96.4	Very high	16 Å²	16	33.1 Å²	33.1	10%	0.104	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-64	-31.1	-173.8	24	-33.1	0	0	0	113	L39 Q40 V43 Y49	P37-L39 PolarHBondContact O-N 3.06Å; P37-L39 VanDerWaalsContact O-N 3.08Å; P37-Q40 PolarHBondContact O-N 2.65Å; P37-Q40 VanDerWaalsContact O-N 3.11Å; P37-V43 HydrophobicContact CB-CG1 4.06Å; P37-V43 HydrophobicContact CB-CG2 4.4Å; P37-Y49 WeakPolarHBondContact CD-O 3.25Å; P37-Y49 HydrophobicContact CG-CD1 4.31Å; P37-Y49 HydrophobicContact CG-CD2 4.31Å; P37-Y49 HydrophobicContact CG-CE1 3.78Å; P37-Y49 HydrophobicContact CG-CE2 3.81Å
38	G	97.6	Very high	96.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-69.1	-1.9	179.6	0	0	0	0	0	115.2	G36 Y49 Y104	G36-G38 VanDerWaalsContact C-N 3.27Å; G36-G38 PolarHBondContact O-N 2.85Å; G38-Y49 VanDerWaalsContact CA-O 3.26Å; G38-Y49 WeakPolarHBondContact CA-O 3.42Å; G38-Y49 PolarHBondContact N-O 2.75Å; G38-Y104 PolarHBondContact O-OH 2.82Å
39	L	97.6	Very high	97	Very high	29 Å²	29	31.6 Å²	31.6	15%	0.152	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-98.8	5.1	173.5	-57.9	168.9	0	0	0	112.6	V34 G36 P37 F50 I116 Y130 L132	V34-L39 HydrophobicContact CG1-CD1 3.73Å; V34-L39 HydrophobicContact CG1-CD2 4.46Å; G36-L39 PolarHBondContact O-N 2.73Å; P37-L39 PolarHBondContact O-N 3.06Å; P37-L39 VanDerWaalsContact O-N 3.08Å; L39-F50 HydrophobicContact CD1-CB 4.06Å; L39-F50 HydrophobicContact CD1-CD2 4.46Å; L39-F50 HydrophobicContact CD1-CG 4.3Å; L39-F50 HydrophobicContact CD2-CB 4.34Å; L39-F50 HydrophobicContact CD2-CD1 3.81Å; L39-F50 HydrophobicContact CD2-CD2 4.18Å; L39-F50 HydrophobicContact CD2-CE1 4.05Å; L39-F50 HydrophobicContact CD2-CE2 4.39Å; L39-F50 HydrophobicContact CD2-CG 3.87Å; L39-F50 HydrophobicContact CD2-CZ 4.31Å; L39-F50 HydrophobicContact CG-CB 3.84Å; L39-F50 HydrophobicContact CG-CD1 4.19Å; L39-F50 HydrophobicContact CG-CD2 4.46Å; L39-F50 HydrophobicContact CG-CG 3.94Å; L39-I116 HydrophobicContact CD2-CD1 4.04Å; L39-Y130 HydrophobicContact CD1-CD1 4.31Å; L39-Y130 HydrophobicContact CD1-CE1 4.33Å; L39-Y130 HydrophobicContact CD2-CD1 4.17Å; L39-Y130 HydrophobicContact CD2-CD2 4.46Å; L39-Y130 HydrophobicContact CD2-CG 4.07Å; L39-L132 WeakPolarHBondContact O-CD1 3.4Å; L39-L132 WeakPolarHBondContact O-CG 3.3Å
40	Q	96.8	Very high	97.2	Very high	91 Å²	91	31.6 Å²	31.6	43%	0.425	17%	0.167	S	C	.	.			trans	-111.7	127.3	-179.4	-59.2	-175.4	52.5	0	0	110.2	P37 A42 V43 R48	P37-Q40 PolarHBondContact O-N 2.65Å; P37-Q40 VanDerWaalsContact O-N 3.11Å; Q40-A42 VanDerWaalsContact C-N 3.34Å; Q40-A42 PolarHBondContact O-N 3.09Å; Q40-V43 HydrophobicContact CB-CB 4.38Å; Q40-V43 HydrophobicContact CB-CG2 3.8Å; Q40-V43 PolarHBondContact O-N 3.35Å; Q40-R48 PolarHBondContact O-NH1 2.72Å
41	A	96.6	Very high	97.3	Very high	21 Å²	21	28.2 Å²	28.2	17%	0.174	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-45.8	-179.4	0	0	0	0	0	112.1	V43 R48 L132 V136	A41-V43 VanDerWaalsContact C-N 3.32Å; A41-V43 PolarHBondContact O-N 2.82Å; A41-R48 PolarHBondContact O-NH1 3.06Å; A41-R48 PolarHBondContact O-NH2 3.34Å; A41-L132 HydrophobicContact CB-CB 4.15Å; A41-V136 HydrophobicContact CB-CG2 4.01Å
42	A	95.2	Very high	97.4	Very high	41 Å²	41	22.1 Å²	22.1	34%	0.339	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-22.2	-173.9	0	0	0	0	0	114.7	Q40 V44 T153 R499	Q40-A42 VanDerWaalsContact C-N 3.34Å; Q40-A42 PolarHBondContact O-N 3.09Å; A42-V44 PolarHBondContact O-N 3.21Å; A42-T153 HydrophobicContact CB-CG2 3.67Å; A42-R499 PolarHBondContact O-NH2 3.48Å; A42-R499 VanDerWaalsContact O-NH2 3.13Å
43	V	96.5	Very high	97.4	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.006	12%	0.123	C	C	.	.			trans	-72.4	117.9	178.1	172	0	0	0	0	109.5	P37 Q40 A41 L45 R48 T153 L154	P37-V43 HydrophobicContact CB-CG1 4.06Å; P37-V43 HydrophobicContact CB-CG2 4.4Å; Q40-V43 HydrophobicContact CB-CB 4.38Å; Q40-V43 HydrophobicContact CB-CG2 3.8Å; Q40-V43 PolarHBondContact O-N 3.35Å; A41-V43 VanDerWaalsContact C-N 3.32Å; A41-V43 PolarHBondContact O-N 2.82Å; V43-L45 HydrophobicContact CG1-CD1 3.84Å; V43-L45 HydrophobicContact CG1-CG 3.85Å; V43-R48 PolarHBondContact O-NH1 3.49Å; V43-R48 PolarHBondContact O-NH2 2.83Å; V43-T153 HydrophobicContact CB-CG2 4.49Å; V43-T153 HydrophobicContact CG2-CG2 3.75Å; V43-L154 HydrophobicContact CB-CD2 4.32Å; V43-L154 HydrophobicContact CG1-CD2 3.74Å; V43-L154 HydrophobicContact CG2-CD2 4.16Å
44	V	96.6	Very high	97.2	Very high	7 Å²	7	18.9 Å²	18.9	4%	0.042	10%	0.103	C	C	.	.			trans	-109.4	116	177.6	-173.3	0	0	0	0	109.5	A42 Y137 K228	A42-V44 PolarHBondContact O-N 3.21Å; V44-Y137 HydrophobicContact CG2-CD2 4.28Å; V44-K228 HydrophobicContact CB-CD 4.49Å; V44-K228 HydrophobicContact CB-CG 4.27Å; V44-K228 HydrophobicContact CG1-CD 4.49Å; V44-K228 HydrophobicContact CG1-CG 4.18Å; V44-K228 WeakPolarHBondContact O-CD 3.19Å; V44-K228 WeakPolarHBondContact O-CE 3.49Å
45	L	97.3	Very high	97.1	Very high	4 Å²	4	18.4 Å²	18.4	2%	0.021	10%	0.099	C	C	.	.			trans	-138.3	153.2	179	-66.1	172.6	0	0	0	110.3	V43 V47 Y49 H455 Y458	V43-L45 HydrophobicContact CG1-CD1 3.84Å; V43-L45 HydrophobicContact CG1-CG 3.85Å; L45-V47 VanDerWaalsContact C-N 3.27Å; L45-V47 WeakPolarHBondContact CB-O 3.31Å; L45-V47 PolarHBondContact O-N 3.2Å; L45-Y49 HydrophobicContact CD1-CD1 4.33Å; L45-Y49 HydrophobicContact CD1-CE1 3.94Å; L45-H455 HydrophobicContact CD1-CB 4.18Å; L45-H455 HydrophobicContact CD2-CB 4.07Å; L45-Y458 HydrophobicContact CD2-CD2 3.77Å; L45-Y458 HydrophobicContact CD2-CE2 3.87Å
46	P	96.5	Very high	96.8	Very high	3 Å²	3	13.6 Å²	13.6	2%	0.019	8%	0.082	C	C	.	.	S	Bend	trans	-54.3	-44.7	172.5	-21.7	27.8	0	0	0	112.8	R105 E139 L283 Y458	P46-R105 WeakPolarHBondContact O-CG 3.46Å; P46-E139 HydrophobicContact CB-CG 4.16Å; P46-E139 WeakPolarHBondContact CD-OE2 3.07Å; P46-E139 HydrophobicContact CG-CG 4.2Å; P46-E139 VanDerWaalsContact CG-OE2 3.31Å; P46-E139 WeakPolarHBondContact CG-OE2 3.33Å; P46-L283 WeakPolarHBondContact CB-O 3.33Å; P46-L283 HydrophobicContact CG-CD2 3.92Å; P46-Y458 VanDerWaalsContact CD-OH 3.32Å; P46-Y458 WeakPolarHBondContact CD-OH 3.47Å; P46-Y458 HydrophobicContact CG-CE2 4.49Å; P46-Y458 VanDerWaalsContact CG-OH 3.25Å; P46-Y458 WeakPolarHBondContact CG-OH 3.3Å
47	V	97.7	Very high	96.5	Very high	4 Å²	4	16.5 Å²	16.5	2%	0.024	10%	0.1	C	C	.	.	S	Bend	trans	-124.1	121.2	171.5	174.5	0	0	0	0	107.9	L45 R103 R105 A285 M286 L294	L45-V47 VanDerWaalsContact C-N 3.27Å; L45-V47 WeakPolarHBondContact CB-O 3.31Å; L45-V47 PolarHBondContact O-N 3.2Å; V47-R103 HydrophobicContact CG1-CB 3.84Å; V47-R105 HydrophobicContact CG2-CB 4.44Å; V47-A285 HydrophobicContact CB-CB 4.37Å; V47-A285 HydrophobicContact CG2-CB 3.66Å; V47-A285 WeakPolarHBondContact CG2-O 3.34Å; V47-M286 HydrophobicContact CB-SD 4.44Å; V47-M286 HydrophobicContact CG1-SD 3.51Å; V47-M286 VanDerWaalsContact CG1-SD 3.51Å; V47-M286 HydrophobicContact CG2-CB 4.19Å; V47-M286 HydrophobicContact CG2-CG 4.2Å; V47-M286 HydrophobicContact CG2-SD 4Å; V47-L294 HydrophobicContact CB-CD1 4.41Å; V47-L294 HydrophobicContact CG1-CD1 3.89Å
48	R	98.1	Very high	96.3	Very high	4 Å²	4	22.2 Å²	22.2	2%	0.015	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	141.4	172.3	-67.7	176.9	177	-108.3	-0.1	108.4	Q40 A41 V43 R103 Y104 Y137	Q40-R48 PolarHBondContact O-NH1 2.72Å; A41-R48 PolarHBondContact O-NH1 3.06Å; A41-R48 PolarHBondContact O-NH2 3.34Å; V43-R48 PolarHBondContact O-NH1 3.49Å; V43-R48 PolarHBondContact O-NH2 2.83Å; R48-R103 CarbonylContact O-C 3.59Å; R48-R103 WeakPolarHBondContact O-CA 3.49Å; R48-Y104 HydrophobicContact CB-CD1 3.96Å; R48-Y104 HydrophobicContact CB-CD2 4.2Å; R48-Y104 HydrophobicContact CB-CE1 3.5Å; R48-Y104 VanDerWaalsContact CB-CE1 3.5Å; R48-Y104 HydrophobicContact CB-CE2 3.78Å; R48-Y104 HydrophobicContact CB-CG 4.3Å; R48-Y104 VanDerWaalsContact CD-CE2 3.48Å; R48-Y104 VanDerWaalsContact CD-CZ 3.47Å; R48-Y104 WeakPolarHBondContact CD-OH 3.35Å; R48-Y104 HydrophobicContact CG-CE2 4.22Å; R48-Y104 PolarHBondContact N-O 3.3Å; R48-Y104 PolarHBondContact O-N 2.96Å; R48-Y137 PolarHBondContact NH2-O 3.2Å
49	Y	98.6	Very high	96	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	153.5	-176.3	69.6	-84.6	0	0	0	112.4	P37 G38 L45 Y51 L101 M102 L294 Q453 P454 H455	P37-Y49 WeakPolarHBondContact CD-O 3.25Å; P37-Y49 HydrophobicContact CG-CD1 4.31Å; P37-Y49 HydrophobicContact CG-CD2 4.31Å; P37-Y49 HydrophobicContact CG-CE1 3.78Å; P37-Y49 HydrophobicContact CG-CE2 3.81Å; G38-Y49 VanDerWaalsContact CA-O 3.26Å; G38-Y49 WeakPolarHBondContact CA-O 3.42Å; G38-Y49 PolarHBondContact N-O 2.75Å; L45-Y49 HydrophobicContact CD1-CD1 4.33Å; L45-Y49 HydrophobicContact CD1-CE1 3.94Å; Y49-Y51 HydrophobicContact CD2-CE2 4.28Å; Y49-Y51 AromaticContact CE2-CE2 3.97Å; Y49-Y51 HydrophobicContact CE2-CE2 3.97Å; Y49-Y51 AromaticContact CE2-CZ 3.89Å; Y49-Y51 WeakPolarHBondContact CE2-OH 3.17Å; Y49-L101 HydrophobicContact CD2-CD1 3.81Å; Y49-L101 HydrophobicContact CG-CD1 4.32Å; Y49-M102 CarbonylContact C-O 3.57Å; Y49-M102 WeakPolarHBondContact CA-O 3.35Å; Y49-M102 VanDerWaalsContact CB-O 3.24Å; Y49-M102 WeakPolarHBondContact CB-O 3.14Å; Y49-L294 HydrophobicContact CD1-CD1 4.16Å; Y49-L294 HydrophobicContact CD1-CD2 4.34Å; Y49-L294 HydrophobicContact CD2-CD2 4.25Å; Y49-L294 HydrophobicContact CG-CD1 4.26Å; Y49-L294 HydrophobicContact CG-CD2 4.15Å; Y49-Q453 WeakPolarHBondContact OH-CB 3.31Å; Y49-P454 HydrophobicContact CD1-CG 4.34Å; Y49-P454 HydrophobicContact CE1-CB 3.96Å; Y49-P454 HydrophobicContact CE1-CG 3.8Å; Y49-H455 AromaticContact CZ-ND1 3.76Å; Y49-H455 PolarHBondContact OH-CE1 2.82Å; Y49-H455 PolarHBondContact OH-ND1 2.85Å
50	F	98.6	Very high	95.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	165.8	176	61.8	-92.8	0	0	0	110	V34 W35 L39 L52 V74 M102 Y104 I116 V118	V34-F50 HydrophobicContact CG1-CD2 3.64Å; V34-F50 HydrophobicContact CG1-CE2 3.81Å; W35-F50 CarbonylContact O-C 3.59Å; W35-F50 WeakPolarHBondContact O-CB 3.43Å; L39-F50 HydrophobicContact CD1-CB 4.06Å; L39-F50 HydrophobicContact CD1-CD2 4.46Å; L39-F50 HydrophobicContact CD1-CG 4.3Å; L39-F50 HydrophobicContact CD2-CB 4.34Å; L39-F50 HydrophobicContact CD2-CD1 3.81Å; L39-F50 HydrophobicContact CD2-CD2 4.18Å; L39-F50 HydrophobicContact CD2-CE1 4.05Å; L39-F50 HydrophobicContact CD2-CE2 4.39Å; L39-F50 HydrophobicContact CD2-CG 3.87Å; L39-F50 HydrophobicContact CD2-CZ 4.31Å; L39-F50 HydrophobicContact CG-CB 3.84Å; L39-F50 HydrophobicContact CG-CD1 4.19Å; L39-F50 HydrophobicContact CG-CD2 4.46Å; L39-F50 HydrophobicContact CG-CG 3.94Å; F50-L52 HydrophobicContact CD2-CD2 4.25Å; F50-L52 HydrophobicContact CE2-CD2 3.9Å; F50-L52 HydrophobicContact CE2-CG 4.43Å; F50-V74 HydrophobicContact CZ-CG1 3.96Å; F50-V74 HydrophobicContact CZ-CG2 4.31Å; F50-M102 HydrophobicContact CD1-CB 4.14Å; F50-M102 HydrophobicContact CD1-CG 4.21Å; F50-M102 HydrophobicContact CD2-CB 3.9Å; F50-M102 HydrophobicContact CE1-CB 3.85Å; F50-M102 HydrophobicContact CE1-CG 3.5Å; F50-M102 HydrophobicContact CE2-CB 3.6Å; F50-M102 HydrophobicContact CE2-CG 3.91Å; F50-M102 HydrophobicContact CG-CB 4.18Å; F50-M102 HydrophobicContact CZ-CB 3.59Å; F50-M102 HydrophobicContact CZ-CG 3.35Å; F50-M102 PolarHBondContact N-O 3.2Å; F50-M102 PolarHBondContact O-N 2.8Å; F50-Y104 HydrophobicContact CD1-CE1 4.27Å; F50-Y104 HydrophobicContact CE1-CD1 4.32Å; F50-Y104 HydrophobicContact CE1-CE1 4.17Å; F50-I116 HydrophobicContact CE1-CG2 4.19Å; F50-I116 HydrophobicContact CZ-CG2 4Å; F50-V118 HydrophobicContact CE2-CG2 3.91Å; F50-V118 HydrophobicContact CZ-CG2 4.01Å
51	Y	98.1	Very high	95.9	Very high	14 Å²	14	27.7 Å²	27.7	6%	0.055	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	150.4	-175	-55.7	-79.5	0	0	0	110.9	V34 W35 Y49 R95 F100 L101	V34-Y51 VanDerWaalsContact CA-O 3.32Å; V34-Y51 WeakPolarHBondContact CA-O 3.31Å; W35-Y51 HydrophobicContact CZ2-CD2 4.43Å; W35-Y51 HydrophobicContact CZ2-CG 4.12Å; W35-Y51 PolarHBondContact N-O 3.01Å; W35-Y51 VanDerWaalsContact N-O 3.1Å; W35-Y51 AromaticContact NE1-CD2 3.65Å; W35-Y51 PolarHBondContact O-N 3.09Å; Y49-Y51 HydrophobicContact CD2-CE2 4.28Å; Y49-Y51 AromaticContact CE2-CE2 3.97Å; Y49-Y51 HydrophobicContact CE2-CE2 3.97Å; Y49-Y51 AromaticContact CE2-CZ 3.89Å; Y49-Y51 WeakPolarHBondContact CE2-OH 3.17Å; Y51-R95 VanDerWaalsContact CD1-NH1 3.25Å; Y51-F100 CarbonylContact C-O 3.56Å; Y51-F100 VanDerWaalsContact CA-O 3.3Å; Y51-F100 WeakPolarHBondContact CA-O 3.34Å; Y51-L101 HydrophobicContact CD1-CD1 3.95Å; Y51-L101 HydrophobicContact CE1-CD1 3.68Å
52	L	97.4	Very high	95.7	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.5	170.8	-52.9	170	0	0	0	107.9	L33 V34 F50 F72 P92 T99 F100 V118	L33-L52 CarbonylContact O-C 3.43Å; L33-L52 VanDerWaalsContact O-CA 3.29Å; L33-L52 WeakPolarHBondContact O-CA 3.44Å; V34-L52 HydrophobicContact CB-CD2 4.11Å; V34-L52 HydrophobicContact CG1-CD2 3.78Å; V34-L52 HydrophobicContact CG2-CD2 3.52Å; F50-L52 HydrophobicContact CD2-CD2 4.25Å; F50-L52 HydrophobicContact CE2-CD2 3.9Å; F50-L52 HydrophobicContact CE2-CG 4.43Å; L52-F72 HydrophobicContact CD1-CB 3.92Å; L52-F72 HydrophobicContact CD1-CD1 3.93Å; L52-F72 HydrophobicContact CD1-CD2 4.42Å; L52-F72 HydrophobicContact CD1-CG 3.83Å; L52-P92 HydrophobicContact CD1-CB 4.33Å; L52-P92 HydrophobicContact CD1-CG 4.24Å; L52-T99 CarbonylContact O-C 3.51Å; L52-T99 WeakPolarHBondContact O-CA 3.19Å; L52-F100 HydrophobicContact CB-CB 4.09Å; L52-F100 HydrophobicContact CB-CD2 4.4Å; L52-F100 HydrophobicContact CD1-CB 4.21Å; L52-F100 PolarHBondContact N-O 2.83Å; L52-F100 PolarHBondContact O-N 3.03Å; L52-V118 HydrophobicContact CD1-CG1 4.24Å; L52-V118 HydrophobicContact CD2-CG1 3.57Å
53	Q	96.6	Very high	95.4	Very high	17 Å²	17	31 Å²	31	8%	0.079	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	119.1	169	171.8	67.6	67.6	0	0	107.8	S32 L33 W35 V55 N61 L62 G98 T99	S32-Q53 WeakPolarHBondContact CA-O 3.47Å; S32-Q53 WeakPolarHBondContact CB-O 3.41Å; L33-Q53 HydrophobicContact CB-CB 4.02Å; L33-Q53 HydrophobicContact CD1-CB 4.35Å; L33-Q53 HydrophobicContact CD1-CG 4.32Å; L33-Q53 HydrophobicContact CG-CB 4.34Å; L33-Q53 PolarHBondContact N-O 2.87Å; L33-Q53 PolarHBondContact O-N 3.18Å; W35-Q53 HydrophobicContact CH2-CB 3.83Å; W35-Q53 HydrophobicContact CZ3-CB 3.56Å; Q53-V55 HydrophobicContact CG-CG2 3.99Å; Q53-N61 HydrophobicContact CG-CB 4.14Å; Q53-N61 WeakPolarHBondContact CG-OD1 3.45Å; Q53-L62 PolarHBondContact NE2-O 3.18Å; Q53-G98 PolarHBondContact NE2-O 2.86Å; Q53-T99 VanDerWaalsContact OE1-CG2 3.25Å
54	A	95.1	Very high	95	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.			trans	-72.4	133.2	170.4	0	0	0	0	0	109.8	V27 L62 F72 G98 F100	V27-A54 HydrophobicContact CG1-CB 4.12Å; V27-A54 HydrophobicContact CG2-CB 4.13Å; A54-L62 HydrophobicContact CB-CB 4.31Å; A54-L62 HydrophobicContact CB-CD1 3.83Å; A54-L62 HydrophobicContact CB-CG 4.17Å; A54-L62 PolarHBondContact O-N 2.74Å; A54-F72 HydrophobicContact CB-CE2 4.27Å; A54-F72 HydrophobicContact CB-CZ 4.25Å; A54-G98 PolarHBondContact N-O 2.78Å; A54-F100 HydrophobicContact CB-CE2 4.23Å
55	V	94.9	Very high	94.4	Very high	3 Å²	3	40.7 Å²	40.7	2%	0.018	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-127.9	140.1	-178.3	176.8	0	0	0	0	108.6	S28 R31 S32 L33 Q53 G59 Q60 N61	S28-V55 PolarHBondContact N-O 2.77Å; R31-V55 HydrophobicContact CB-CB 4.26Å; R31-V55 HydrophobicContact CB-CG1 3.83Å; R31-V55 WeakPolarHBondContact O-CB 3.41Å; R31-V55 WeakPolarHBondContact O-CG2 3.23Å; S32-V55 PolarHBondContact OG-N 3.37Å; S32-V55 VanDerWaalsContact OG-N 3.15Å; L33-V55 HydrophobicContact CG-CG2 4.23Å; Q53-V55 HydrophobicContact CG-CG2 3.99Å; V55-G59 VanDerWaalsContact CG1-C 3.43Å; V55-G59 VanDerWaalsContact CG1-CA 3.5Å; V55-Q60 WeakPolarHBondContact CA-O 3.42Å; V55-N61 WeakPolarHBondContact CG2-OD1 3.38Å
56	N	92.4	Very high	93.4	Very high	13 Å²	13	41.5 Å²	41.5	7%	0.07	22%	0.222	C	C	.	.	B	Isolated β-bridge	trans	-78.8	174.9	177.9	69.3	9.6	0	0	0	112.4	V25 E58 G59 Q60 L62	V25-N56 HydrophobicContact CG1-CB 3.6Å; N56-E58 PolarHBondContact O-N 3.03Å; N56-E58 WeakPolarHBondContact OD1-CA 3.5Å; N56-E58 WeakPolarHBondContact OD1-CB 3.44Å; N56-E58 PolarHBondContact OD1-N 2.91Å; N56-E58 VanDerWaalsContact OD1-N 3.08Å; N56-G59 PolarHBondContact O-N 3.17Å; N56-G59 PolarHBondContact OD1-N 2.95Å; N56-Q60 PolarHBondContact N-O 3.08Å; N56-Q60 PolarHBondContact ND2-OE1 3.42Å; N56-Q60 PolarHBondContact OD1-N 3.37Å; N56-Q60 PolarHBondContact OD1-O 3.44Å; N56-L62 HydrophobicContact CB-CD2 4.04Å
57	S	91.1	Very high	91.9	Very high	79 Å²	79	46.6 Å²	46.6	55%	0.552	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-24.9	176.2	52.1	0	0	0	0	113.8	R31 G59	R31-S57 PolarHBondContact NE-O 2.78Å; R31-S57 PolarHBondContact NH1-O 3.3Å; S57-G59 VanDerWaalsContact C-N 3.33Å
58	E	92.9	Very high	90.4	Very high	136 Å²	136	49.7 Å²	49.7	64%	0.636	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.5	177	-62.6	177.7	-171	0	0	113.1	R31 N56 Q60	R31-E58 PolarHBondContact NH1-O 3.34Å; R31-E58 VanDerWaalsContact NH1-O 3.15Å; N56-E58 PolarHBondContact O-N 3.03Å; N56-E58 WeakPolarHBondContact OD1-CA 3.5Å; N56-E58 WeakPolarHBondContact OD1-CB 3.44Å; N56-E58 PolarHBondContact OD1-N 2.91Å; N56-E58 VanDerWaalsContact OD1-N 3.08Å; E58-Q60 HydrophobicContact CB-CG 4.42Å; E58-Q60 PolarHBondContact OE2-NE2 3.46Å; E58-Q60 VanDerWaalsContact OE2-NE2 3.15Å
59	G	92.5	Very high	88.6	Confident	39 Å²	39	57.5 Å²	57.5	40%	0.402	32%	0.324	S	S	.	.	S	Bend	trans	88.2	15.4	-178	0	0	0	0	0	114.4	R31 V55 N56 S57	R31-G59 VanDerWaalsContact NH1-N 3.18Å; V55-G59 VanDerWaalsContact CG1-C 3.43Å; V55-G59 VanDerWaalsContact CG1-CA 3.5Å; N56-G59 PolarHBondContact O-N 3.17Å; N56-G59 PolarHBondContact OD1-N 2.95Å; S57-G59 VanDerWaalsContact C-N 3.33Å
60	Q	94.9	Very high	87	Confident	108 Å²	108	59.7 Å²	59.7	51%	0.505	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-93.1	136.6	176.8	-58.6	162.5	-11.1	0	0	110.7	V55 N56 E58 L62	V55-Q60 WeakPolarHBondContact CA-O 3.42Å; N56-Q60 PolarHBondContact N-O 3.08Å; N56-Q60 PolarHBondContact ND2-OE1 3.42Å; N56-Q60 PolarHBondContact OD1-N 3.37Å; N56-Q60 PolarHBondContact OD1-O 3.44Å; E58-Q60 HydrophobicContact CB-CG 4.42Å; E58-Q60 PolarHBondContact OE2-NE2 3.46Å; E58-Q60 VanDerWaalsContact OE2-NE2 3.15Å; Q60-L62 PolarHBondContact O-N 3.36Å
61	N	95.6	Very high	85.9	Confident	88 Å²	88	61.7 Å²	61.7	47%	0.471	35%	0.351	S	S	.	.	B	Isolated β-bridge	trans	-63.9	128.4	173.9	-72.5	-4.6	0	0	0	110.2	Q53 V55	Q53-N61 HydrophobicContact CG-CB 4.14Å; Q53-N61 WeakPolarHBondContact CG-OD1 3.45Å; V55-N61 WeakPolarHBondContact CG2-OD1 3.38Å
62	L	92.8	Very high	85.6	Confident	18 Å²	18	61.3 Å²	61.3	9%	0.094	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-67.6	137.3	168.8	-58.8	-168.3	0	0	0	109.4	V25 V27 Q53 A54 N56 Q60 P66 G98	V25-L62 HydrophobicContact CB-CD2 4.37Å; V25-L62 HydrophobicContact CG1-CD2 3.52Å; V27-L62 HydrophobicContact CG2-CD1 3.85Å; Q53-L62 PolarHBondContact NE2-O 3.18Å; A54-L62 HydrophobicContact CB-CB 4.31Å; A54-L62 HydrophobicContact CB-CD1 3.83Å; A54-L62 HydrophobicContact CB-CG 4.17Å; A54-L62 PolarHBondContact O-N 2.74Å; N56-L62 HydrophobicContact CB-CD2 4.04Å; Q60-L62 PolarHBondContact O-N 3.36Å; L62-P66 HydrophobicContact CD1-CG 4.07Å; L62-G98 WeakPolarHBondContact O-CA 3.48Å
63	T	90.1	Very high	85.5	Confident	114 Å²	114	67.3 Å²	67.3	70%	0.699	38%	0.376	S	S	*	.	S	Bend	trans	-103.9	1.9	176.8	56.2	0	0	0	0	112.4	D97	T63-D97 CarbonylContact C-O 3.48Å; T63-D97 WeakPolarHBondContact CA-O 3.13Å; T63-D97 CarbonylContact O-C 3.55Å
64	R	87.4	Confident	85.6	Confident	183 Å²	183	67.3 Å²	67.3	69%	0.691	38%	0.376	S	S	*	.	S	Bend	trans	-143.4	147.2	177	-62.6	-175.6	-176.2	-129.4	3.4	108.6
65	S	84.1	Confident	85.7	Confident	28 Å²	28	68.8 Å²	68.8	20%	0.196	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-71	140.6	178.9	-52.6	0	0	0	0	110.5	D94 N96	S65-D94 WeakPolarHBondContact CB-OD1 3.21Å; S65-D94 WeakPolarHBondContact CB-OD2 3.4Å; S65-D94 VanDerWaalsContact OG-CG 3.23Å; S65-D94 PolarHBondContact OG-OD1 3.19Å; S65-D94 PolarHBondContact OG-OD2 3.02Å; S65-N96 WeakPolarHBondContact OG-CA 3.31Å
66	P	75.1	Confident	85.8	Confident	21 Å²	21	69.2 Å²	69.2	14%	0.136	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-57.7	143.7	176.5	-21.4	31.4	0	0	0	111.2	V27 L62	V27-P66 HydrophobicContact CG2-CB 4.3Å; V27-P66 HydrophobicContact CG2-CG 3.41Å; V27-P66 VanDerWaalsContact CG2-CG 3.41Å; L62-P66 HydrophobicContact CD1-CG 4.07Å
67	P	66.6	Low	86	Confident	109 Å²	109	74.3 Å²	74.3	71%	0.708	41%	0.41	S	S	*	.	S	Bend	trans	-62.4	137.2	176.2	25.1	-31.9	0	0	0	111.3
68	G	65.2	Low	86.3	Confident	69 Å²	69	71.7 Å²	71.7	71%	0.711	39%	0.392	S	S	*	.	S	Bend	trans	116.2	179.8	179	0	0	0	0	0	114.4
69	Q	60.5	Low	86.4	Confident	169 Å²	169	68.1 Å²	68.1	79%	0.79	38%	0.377	S	S	*	.	S	Bend	trans	-68.1	139.1	171.5	-73.8	-174	15.6	0	0	109.8	P71	Q69-P71 VanDerWaalsContact O-CD 3.26Å; Q69-P71 WeakPolarHBondContact O-CD 3.27Å; Q69-P71 VanDerWaalsContact O-N 3.07Å
70	T	64.9	Low	86.5	Confident	45 Å²	45	66.7 Å²	66.7	28%	0.276	36%	0.36	S	S	.	.			trans	-46.7	111.7	-176.7	-44.6	0	0	0	0	112	F72 F100	T70-F72 VanDerWaalsContact C-N 3.27Å; T70-F72 HydrophobicContact CG2-CB 4.33Å; T70-F72 HydrophobicContact CG2-CD2 4.44Å; T70-F72 PolarHBondContact O-N 2.84Å; T70-F100 HydrophobicContact CG2-CD1 3.54Å; T70-F100 HydrophobicContact CG2-CE1 3.46Å; T70-F100 VanDerWaalsContact CG2-CE1 3.46Å; T70-F100 HydrophobicContact CG2-CZ 4.45Å
71	P	75.4	Confident	86.2	Confident	43 Å²	43	67 Å²	67	28%	0.279	37%	0.372	S	S	.	.			trans	-79	-8.1	-176.2	30.5	-37.6	0	0	0	113.7	Q69 K73 Y120 G121	Q69-P71 VanDerWaalsContact O-CD 3.26Å; Q69-P71 WeakPolarHBondContact O-CD 3.27Å; Q69-P71 VanDerWaalsContact O-N 3.07Å; P71-K73 PolarHBondContact O-N 2.89Å; P71-Y120 HydrophobicContact CB-CD2 3.96Å; P71-Y120 HydrophobicContact CB-CE1 4.42Å; P71-Y120 HydrophobicContact CB-CE2 3.68Å; P71-Y120 HydrophobicContact CB-CG 4.47Å; P71-Y120 HydrophobicContact CG-CD2 3.57Å; P71-Y120 HydrophobicContact CG-CE1 4.43Å; P71-Y120 HydrophobicContact CG-CE2 2.98Å; P71-Y120 VanDerWaalsContact CG-CZ 3.45Å; P71-G121 PolarHBondContact O-N 3.14Å
72	F	92.4	Very high	86.1	Confident	6 Å²	6	71.9 Å²	71.9	3%	0.026	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	121.9	176	-70.4	-76.3	0	0	0	111.2	V27 L52 A54 T70 P92 F100 V118 L119 Y120 V125	V27-F72 HydrophobicContact CG1-CZ 4.36Å; L52-F72 HydrophobicContact CD1-CB 3.92Å; L52-F72 HydrophobicContact CD1-CD1 3.93Å; L52-F72 HydrophobicContact CD1-CD2 4.42Å; L52-F72 HydrophobicContact CD1-CG 3.83Å; A54-F72 HydrophobicContact CB-CE2 4.27Å; A54-F72 HydrophobicContact CB-CZ 4.25Å; T70-F72 VanDerWaalsContact C-N 3.27Å; T70-F72 HydrophobicContact CG2-CB 4.33Å; T70-F72 HydrophobicContact CG2-CD2 4.44Å; T70-F72 PolarHBondContact O-N 2.84Å; F72-P92 HydrophobicContact CB-CG 4.1Å; F72-F100 HydrophobicContact CD2-CD1 4.34Å; F72-F100 AromaticContact CD2-CD2 3.75Å; F72-F100 HydrophobicContact CD2-CD2 3.75Å; F72-F100 HydrophobicContact CD2-CE1 4.36Å; F72-F100 AromaticContact CD2-CE2 3.79Å; F72-F100 HydrophobicContact CD2-CE2 3.79Å; F72-F100 HydrophobicContact CD2-CG 4.06Å; F72-F100 HydrophobicContact CD2-CZ 4.1Å; F72-F100 AromaticContact CE2-CD2 3.61Å; F72-F100 HydrophobicContact CE2-CD2 3.61Å; F72-F100 AromaticContact CE2-CE2 3.43Å; F72-F100 HydrophobicContact CE2-CE2 3.43Å; F72-F100 VanDerWaalsContact CE2-CE2 3.43Å; F72-F100 HydrophobicContact CE2-CG 4.39Å; F72-F100 HydrophobicContact CE2-CZ 4.04Å; F72-V118 HydrophobicContact CD1-CG1 4.48Å; F72-L119 CarbonylContact C-O 3.52Å; F72-L119 VanDerWaalsContact CA-O 3.27Å; F72-L119 WeakPolarHBondContact CA-O 3.33Å; F72-Y120 HydrophobicContact CD1-CD2 4.1Å; F72-Y120 HydrophobicContact CD2-CD2 4.29Å; F72-Y120 AromaticContact CE1-CD2 3.8Å; F72-Y120 HydrophobicContact CE1-CD2 3.8Å; F72-Y120 HydrophobicContact CE1-CG 4.44Å; F72-Y120 AromaticContact CE2-CD2 3.97Å; F72-Y120 HydrophobicContact CE2-CD2 3.97Å; F72-Y120 HydrophobicContact CE2-CE2 4.31Å; F72-Y120 HydrophobicContact CG-CD2 4.35Å; F72-Y120 AromaticContact CZ-CD2 3.73Å; F72-Y120 HydrophobicContact CZ-CD2 3.73Å; F72-Y120 HydrophobicContact CZ-CE2 4.35Å; F72-V125 HydrophobicContact CD1-CG2 3.89Å; F72-V125 HydrophobicContact CE1-CG1 4.07Å; F72-V125 HydrophobicContact CE1-CG2 3.67Å
73	K	95.3	Very high	86	Confident	126 Å²	126	72.4 Å²	72.4	55%	0.548	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	131.6	173	-179.4	-178.9	176.9	-174.9	0	108.9	P71 V75 L119	P71-K73 PolarHBondContact O-N 2.89Å; K73-V75 HydrophobicContact CG-CG2 4.45Å; K73-L119 HydrophobicContact CB-CB 4.39Å; K73-L119 PolarHBondContact N-O 2.79Å; K73-L119 PolarHBondContact O-N 3.05Å
74	V	97.8	Very high	85.9	Confident	16 Å²	16	74.3 Å²	74.3	10%	0.097	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.1	176.5	180	0	0	0	0	109.4	F50 V76 V89 P92 M102 I116 E117 V118	F50-V74 HydrophobicContact CZ-CG1 3.96Å; F50-V74 HydrophobicContact CZ-CG2 4.31Å; V74-V76 HydrophobicContact CG1-CG2 4.13Å; V74-V89 HydrophobicContact CG1-CG1 4.37Å; V74-P92 HydrophobicContact CG2-CG 3.98Å; V74-M102 HydrophobicContact CB-CE 3.94Å; V74-M102 HydrophobicContact CB-CG 4.15Å; V74-M102 HydrophobicContact CB-SD 3.84Å; V74-M102 HydrophobicContact CG1-CE 3.96Å; V74-M102 HydrophobicContact CG1-CG 4.01Å; V74-M102 HydrophobicContact CG1-SD 4.22Å; V74-M102 HydrophobicContact CG2-CG 3.88Å; V74-M102 HydrophobicContact CG2-SD 3.84Å; V74-I116 HydrophobicContact CG1-CG2 4.05Å; V74-E117 CarbonylContact C-O 3.56Å; V74-E117 VanDerWaalsContact CA-O 3.28Å; V74-E117 WeakPolarHBondContact CA-O 3.35Å; V74-V118 HydrophobicContact CG2-CG1 4.24Å; V74-V118 HydrophobicContact CG2-CG2 4.28Å
75	V	97.3	Very high	86	Confident	32 Å²	32	67.3 Å²	67.3	19%	0.194	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	126.7	175.1	179.9	0	0	0	0	108	K73 K77 I116 E117	K73-V75 HydrophobicContact CG-CG2 4.45Å; V75-K77 HydrophobicContact CG1-CD 4.02Å; V75-K77 VanDerWaalsContact CG1-CE 3.5Å; V75-K77 HydrophobicContact CG1-CG 4.04Å; V75-I116 CarbonylContact O-C 3.43Å; V75-I116 WeakPolarHBondContact O-CA 3.34Å; V75-E117 HydrophobicContact CB-CB 4.27Å; V75-E117 PolarHBondContact N-O 2.93Å; V75-E117 PolarHBondContact O-N 3.22Å
76	V	97.8	Very high	86.4	Confident	12 Å²	12	74 Å²	74	7%	0.073	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	125.3	177	-174	0	0	0	0	108.3	V74 I87 V89 Y104 L114 K115 I116	V74-V76 HydrophobicContact CG1-CG2 4.13Å; V76-I87 HydrophobicContact CB-CG2 4.38Å; V76-I87 HydrophobicContact CG1-CD1 3.88Å; V76-I87 HydrophobicContact CG1-CG2 4.3Å; V76-V89 HydrophobicContact CB-CG2 3.83Å; V76-V89 HydrophobicContact CG2-CG1 4.06Å; V76-V89 HydrophobicContact CG2-CG2 3.94Å; V76-Y104 HydrophobicContact CG1-CD2 4.32Å; V76-Y104 HydrophobicContact CG1-CE2 4.26Å; V76-Y104 HydrophobicContact CG2-CD1 4.49Å; V76-Y104 HydrophobicContact CG2-CD2 4.48Å; V76-Y104 HydrophobicContact CG2-CG 4.28Å; V76-L114 HydrophobicContact CG1-CD1 4.06Å; V76-L114 HydrophobicContact CG1-CD2 4.3Å; V76-K115 WeakPolarHBondContact CA-O 3.45Å; V76-I116 HydrophobicContact CG1-CG1 4.12Å; V76-I116 HydrophobicContact CG2-CG1 4.22Å; V76-I116 HydrophobicContact CG2-CG2 4.27Å
77	K	96.4	Very high	87.4	Confident	119 Å²	119	74.5 Å²	74.5	52%	0.517	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	158	-179.7	-67.2	173.6	179.3	167.7	0	110.3	V75 L114 K115	V75-K77 HydrophobicContact CG1-CD 4.02Å; V75-K77 VanDerWaalsContact CG1-CE 3.5Å; V75-K77 HydrophobicContact CG1-CG 4.04Å; K77-L114 CarbonylContact O-C 3.48Å; K77-L114 WeakPolarHBondContact O-CA 3.38Å; K77-L114 WeakPolarHBondContact O-CD2 3.11Å; K77-K115 PolarHBondContact N-O 2.75Å; K77-K115 PolarHBondContact O-N 2.51Å
78	S	96.5	Very high	88.8	Confident	25 Å²	25	73.3 Å²	73.3	18%	0.175	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	148.9	163.6	47.3	0	0	0	0	110.8	S80 E83 G113	S78-S80 PolarHBondContact OG-O 3.07Å; S78-S80 VanDerWaalsContact OG-O 3.1Å; S78-E83 VanDerWaalsContact CB-O 3.3Å; S78-E83 WeakPolarHBondContact CB-O 3.31Å; S78-E83 PolarHBondContact OG-O 3.5Å; S78-G113 WeakPolarHBondContact CA-O 3.33Å
79	L	95.7	Very high	90.3	Very high	61 Å²	61	72 Å²	72	32%	0.319	36%	0.358	S	S	.	.	S	Bend	trans	-70.4	-38.6	172.2	-73.6	171	0	0	0	111.3	G113 K115 I131	L79-G113 PolarHBondContact N-O 2.81Å; L79-K115 HydrophobicContact CD2-CB 3.8Å; L79-I131 HydrophobicContact CD1-CG2 3.73Å; L79-I131 HydrophobicContact CD2-CD1 3.78Å; L79-I131 HydrophobicContact CD2-CG2 3.86Å; L79-I131 HydrophobicContact CG-CG2 4.46Å
80	S	94.2	Very high	92	Very high	9 Å²	9	65.3 Å²	65.3	6%	0.063	33%	0.329	C	S	.	.	S	Bend	trans	-86.9	122.7	177.2	-163.8	0	0	0	0	110.3	S78 K82 E83 E112	S78-S80 PolarHBondContact OG-O 3.07Å; S78-S80 VanDerWaalsContact OG-O 3.1Å; S80-K82 PolarHBondContact O-N 2.79Å; S80-E83 PolarHBondContact O-N 3.03Å; S80-E112 WeakPolarHBondContact CB-OE1 3.48Å; S80-E112 WeakPolarHBondContact CB-OE2 3.13Å; S80-E112 PolarHBondContact OG-OE1 2.85Å
81	P	89.4	Confident	93.4	Very high	115 Å²	115	70.5 Å²	70.5	75%	0.747	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-10.4	175.6	28.4	-34.9	0	0	0	113
82	K	92.2	Very high	94.4	Very high	189 Å²	189	68.8 Å²	68.8	82%	0.822	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-22.6	175.2	-61.5	-179.6	-178.3	176.7	0	112.7	S80 L84	S80-K82 PolarHBondContact O-N 2.79Å; K82-L84 PolarHBondContact O-N 3.18Å
83	E	91.1	Very high	94.5	Very high	29 Å²	29	69.6 Å²	69.6	14%	0.136	34%	0.342	C	S	.	.			trans	-89	91.1	177.9	-66	-171.2	121.9	0	0	109.4	S78 S80 V85 N111 E112	S78-E83 VanDerWaalsContact CB-O 3.3Å; S78-E83 WeakPolarHBondContact CB-O 3.31Å; S78-E83 PolarHBondContact OG-O 3.5Å; S80-E83 PolarHBondContact O-N 3.03Å; E83-V85 PolarHBondContact O-N 2.78Å; E83-N111 VanDerWaalsContact OE1-CB 3.3Å; E83-N111 WeakPolarHBondContact OE1-CB 3.34Å; E83-N111 PolarHBondContact OE1-N 3.44Å; E83-N111 PolarHBondContact OE1-ND2 2.99Å; E83-N111 PolarHBondContact OE2-N 2.86Å; E83-E112 PolarHBondContact OE2-N 3.43Å
84	L	87.7	Confident	94.4	Very high	155 Å²	155	65 Å²	65	81%	0.812	32%	0.323	S	S	*	.			trans	-83.7	99.8	174.5	-63.7	177.9	0	0	0	109.2	K82	K82-L84 PolarHBondContact O-N 3.18Å
85	V	90.2	Very high	94.2	Very high	35 Å²	35	65.5 Å²	65.5	21%	0.212	32%	0.323	C	S	.	.			trans	-115.2	143.5	-178.8	-67.5	0	0	0	0	112.9	E83 I87 E108 V110	E83-V85 PolarHBondContact O-N 2.78Å; V85-I87 HydrophobicContact CG2-CD1 3.83Å; V85-I87 HydrophobicContact CG2-CG1 3.93Å; V85-I87 PolarHBondContact O-N 2.74Å; V85-E108 VanDerWaalsContact CA-OE2 3.27Å; V85-E108 WeakPolarHBondContact CA-OE2 3.31Å; V85-E108 HydrophobicContact CB-CB 4.15Å; V85-E108 HydrophobicContact CG1-CB 3.84Å; V85-V110 HydrophobicContact CB-CG1 4.1Å; V85-V110 HydrophobicContact CG1-CG1 3.59Å; V85-V110 HydrophobicContact CG2-CG1 3.48Å; V85-V110 VanDerWaalsContact CG2-CG1 3.48Å
86	R	92.8	Very high	93.8	Very high	169 Å²	169	67.6 Å²	67.6	64%	0.638	33%	0.333	S	S	*	.			trans	-80.8	117	171.6	-172.3	-177.1	177.9	-178.7	-1.7	110.7	Y107 E108	R86-Y107 HydrophobicContact CB-CD2 4.31Å; R86-Y107 HydrophobicContact CG-CD2 3.82Å; R86-Y107 HydrophobicContact CG-CE2 4.47Å; R86-Y107 HydrophobicContact CG-CG 4.48Å; R86-Y107 WeakPolarHBondContact O-CD2 3.14Å; R86-Y107 PolarHBondContact O-N 2.77Å; R86-Y107 VanDerWaalsContact O-N 3.09Å; R86-E108 PolarHBondContact N-OE2 2.92Å
87	I	95.4	Very high	93.5	Very high	31 Å²	31	68.2 Å²	68.2	16%	0.159	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.1	173.6	-49.4	178	0	0	0	108.9	V76 V85 V89 Y104 R105 M106 L114	V76-I87 HydrophobicContact CB-CG2 4.38Å; V76-I87 HydrophobicContact CG1-CD1 3.88Å; V76-I87 HydrophobicContact CG1-CG2 4.3Å; V85-I87 HydrophobicContact CG2-CD1 3.83Å; V85-I87 HydrophobicContact CG2-CG1 3.93Å; V85-I87 PolarHBondContact O-N 2.74Å; I87-V89 HydrophobicContact CB-CG2 4.29Å; I87-V89 HydrophobicContact CG2-CG2 3.66Å; I87-Y104 HydrophobicContact CG2-CD2 3.95Å; I87-R105 CarbonylContact C-O 3.58Å; I87-R105 WeakPolarHBondContact CA-O 3.42Å; I87-R105 WeakPolarHBondContact CG2-O 3.19Å; I87-M106 HydrophobicContact CG1-CG 4.39Å; I87-M106 HydrophobicContact CG2-CG 4.25Å; I87-L114 HydrophobicContact CD1-CD2 3.75Å
88	H	96.8	Very high	93.3	Very high	84 Å²	84	62.5 Å²	62.5	39%	0.389	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	117.3	173.2	179.8	51.3	0	0	0	110.2	Y104 R105 Y107 M286	H88-Y104 CarbonylContact O-C 3.58Å; H88-Y104 VanDerWaalsContact O-CA 3.26Å; H88-Y104 WeakPolarHBondContact O-CA 3.44Å; H88-R105 PolarHBondContact N-O 2.89Å; H88-R105 PolarHBondContact O-N 2.88Å; H88-Y107 HydrophobicContact CB-CE2 3.92Å; H88-M286 WeakPolarHBondContact CD2-CE 3.3Å
89	V	97.3	Very high	93.2	Very high	42 Å²	42	62 Å²	62	26%	0.255	31%	0.307	S	S	.	.			trans	-127.2	85.3	-173	-171.1	0	0	0	0	109	V74 V76 I87 M102	V74-V89 HydrophobicContact CG1-CG1 4.37Å; V76-V89 HydrophobicContact CB-CG2 3.83Å; V76-V89 HydrophobicContact CG2-CG1 4.06Å; V76-V89 HydrophobicContact CG2-CG2 3.94Å; I87-V89 HydrophobicContact CB-CG2 4.29Å; I87-V89 HydrophobicContact CG2-CG2 3.66Å; V89-M102 HydrophobicContact CB-CE 4.43Å; V89-M102 HydrophobicContact CG1-CE 3.32Å
90	P	95.4	Very high	93.2	Very high	28 Å²	28	59.1 Å²	59.1	18%	0.182	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-68.5	171.9	174.7	30.6	-38.3	0	0	0	111.8	M102 R103 M286	P90-M102 WeakPolarHBondContact O-CE 3.42Å; P90-R103 VanDerWaalsContact CD-O 3.28Å; P90-R103 WeakPolarHBondContact CD-O 3.34Å; P90-R103 HydrophobicContact CG-CG 3.82Å; P90-M286 HydrophobicContact CG-CE 3.55Å; P90-M286 HydrophobicContact CG-SD 4.29Å
91	K	94.4	Very high	93.4	Very high	154 Å²	154	58.7 Å²	58.7	67%	0.67	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-62.7	145.9	170.2	-66.1	-174.7	178.8	-175.5	0	110.5
92	P	95.8	Very high	93.8	Very high	8 Å²	8	53.2 Å²	53.2	5%	0.052	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-53.8	139.9	170	-23.8	32.5	0	0	0	111.6	L52 F72 V74 F100 M102	L52-P92 HydrophobicContact CD1-CB 4.33Å; L52-P92 HydrophobicContact CD1-CG 4.24Å; F72-P92 HydrophobicContact CB-CG 4.1Å; V74-P92 HydrophobicContact CG2-CG 3.98Å; P92-F100 HydrophobicContact CB-CB 4.16Å; P92-M102 HydrophobicContact CB-SD 4.26Å; P92-M102 HydrophobicContact CG-SD 3.74Å
93	L	94.8	Very high	94.1	Very high	22 Å²	22	45.9 Å²	45.9	12%	0.115	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	123.9	175.1	-67	175.3	0	0	0	109.6	F100 L101 L294	L93-F100 CarbonylContact O-C 3.52Å; L93-F100 WeakPolarHBondContact O-CA 3.12Å; L93-L101 HydrophobicContact CB-CB 4.27Å; L93-L101 HydrophobicContact CD1-CD2 4.44Å; L93-L101 PolarHBondContact N-O 2.75Å; L93-L101 PolarHBondContact O-N 2.88Å; L93-L294 WeakPolarHBondContact CD1-O 3.04Å
94	D	93.6	Very high	94.4	Very high	31 Å²	31	44.5 Å²	44.5	17%	0.166	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	120.6	174.3	-170.2	-18.4	0	0	0	110.5	S65 N96 F100 G298	S65-D94 WeakPolarHBondContact CB-OD1 3.21Å; S65-D94 WeakPolarHBondContact CB-OD2 3.4Å; S65-D94 VanDerWaalsContact OG-CG 3.23Å; S65-D94 PolarHBondContact OG-OD1 3.19Å; S65-D94 PolarHBondContact OG-OD2 3.02Å; D94-N96 VanDerWaalsContact C-N 3.28Å; D94-N96 WeakPolarHBondContact OD1-CA 3.3Å; D94-N96 PolarHBondContact OD1-N 3.37Å; D94-F100 HydrophobicContact CB-CD1 3.89Å; D94-F100 HydrophobicContact CB-CE1 3.77Å; D94-F100 VanDerWaalsContact CG-CE1 3.45Å; D94-F100 WeakPolarHBondContact OD2-CE1 3.45Å; D94-G298 WeakPolarHBondContact O-CA 3.35Å
95	R	93.1	Very high	94.8	Very high	26 Å²	26	37.1 Å²	37.1	10%	0.098	18%	0.176	C	C	.	.			trans	-88.1	4.1	-179.7	-67.3	172.2	52.9	-167.7	-5.4	113.3	Y51 D97 T99 L101 Q297 R449	Y51-R95 VanDerWaalsContact CD1-NH1 3.25Å; R95-D97 WeakPolarHBondContact CB-OD1 3.25Å; R95-D97 IonicContact NH2-OD2 2.83Å; R95-D97 PolarHBondContact O-N 2.8Å; R95-D97 VanDerWaalsContact O-N 3.16Å; R95-T99 WeakPolarHBondContact CB-O 3.33Å; R95-T99 VanDerWaalsContact CD-OG1 3.29Å; R95-T99 WeakPolarHBondContact CD-OG1 3.42Å; R95-T99 PolarHBondContact N-O 2.92Å; R95-T99 PolarHBondContact NE-OG1 2.84Å; R95-T99 PolarHBondContact NH1-OG1 2.83Å; R95-L101 HydrophobicContact CG-CB 4.4Å; R95-Q297 HydrophobicContact CG-CB 4.35Å; R95-R449 VanDerWaalsContact NH2-CD 3.3Å
96	N	89.8	Confident	95.1	Very high	75 Å²	75	35.9 Å²	35.9	40%	0.401	17%	0.168	S	C	.	.	S	Bend	trans	59.9	17.2	179	-60.9	-57.1	0	0	0	115	S65 D94	S65-N96 WeakPolarHBondContact OG-CA 3.31Å; D94-N96 VanDerWaalsContact C-N 3.28Å; D94-N96 WeakPolarHBondContact OD1-CA 3.3Å; D94-N96 PolarHBondContact OD1-N 3.37Å
97	D	90.7	Very high	95.1	Very high	25 Å²	25	30.6 Å²	30.6	13%	0.134	15%	0.148	C	C	.	.	S	Bend	trans	-127	21.1	-179	59.9	13.4	0	0	0	112.5	T63 R95 T99 K442 R449	T63-D97 CarbonylContact C-O 3.48Å; T63-D97 WeakPolarHBondContact CA-O 3.13Å; T63-D97 CarbonylContact O-C 3.55Å; R95-D97 WeakPolarHBondContact CB-OD1 3.25Å; R95-D97 IonicContact NH2-OD2 2.83Å; R95-D97 PolarHBondContact O-N 2.8Å; R95-D97 VanDerWaalsContact O-N 3.16Å; D97-T99 PolarHBondContact O-N 2.85Å; D97-T99 WeakPolarHBondContact OD1-CB 3.47Å; D97-T99 PolarHBondContact OD1-N 3.15Å; D97-T99 PolarHBondContact OD1-OG1 2.91Å; D97-K442 IonicContact OD2-NZ 3.31Å; D97-K442 PolarHBondContact OD2-NZ 3.33Å; D97-R449 IonicContact OD2-CZ 3.8Å; D97-R449 IonicContact OD2-NH1 2.74Å; D97-R449 PolarHBondContact OD2-NH1 3.48Å
98	G	91.9	Very high	95	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.16	C	C	.	.	S	Bend	trans	78.5	-1.5	-174.9	0	0	0	0	0	113.9	Q53 A54 L62	Q53-G98 PolarHBondContact NE2-O 2.86Å; A54-G98 PolarHBondContact N-O 2.78Å; L62-G98 WeakPolarHBondContact O-CA 3.48Å
99	T	94.9	Very high	94.9	Very high	13 Å²	13	30 Å²	30	8%	0.08	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	153.8	170.1	77.9	0	0	0	0	112.2	L52 Q53 R95 D97	L52-T99 CarbonylContact O-C 3.51Å; L52-T99 WeakPolarHBondContact O-CA 3.19Å; Q53-T99 VanDerWaalsContact OE1-CG2 3.25Å; R95-T99 WeakPolarHBondContact CB-O 3.33Å; R95-T99 VanDerWaalsContact CD-OG1 3.29Å; R95-T99 WeakPolarHBondContact CD-OG1 3.42Å; R95-T99 PolarHBondContact N-O 2.92Å; R95-T99 PolarHBondContact NE-OG1 2.84Å; R95-T99 PolarHBondContact NH1-OG1 2.83Å; D97-T99 PolarHBondContact O-N 2.85Å; D97-T99 WeakPolarHBondContact OD1-CB 3.47Å; D97-T99 PolarHBondContact OD1-N 3.15Å; D97-T99 PolarHBondContact OD1-OG1 2.91Å
100	F	96.3	Very high	94.8	Very high	1 Å²	1	28 Å²	28	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.8	175.8	-53	-101.5	0	0	0	109.7	Y51 L52 A54 T70 F72 P92 L93 D94	Y51-F100 CarbonylContact C-O 3.56Å; Y51-F100 VanDerWaalsContact CA-O 3.3Å; Y51-F100 WeakPolarHBondContact CA-O 3.34Å; L52-F100 HydrophobicContact CB-CB 4.09Å; L52-F100 HydrophobicContact CB-CD2 4.4Å; L52-F100 HydrophobicContact CD1-CB 4.21Å; L52-F100 PolarHBondContact N-O 2.83Å; L52-F100 PolarHBondContact O-N 3.03Å; A54-F100 HydrophobicContact CB-CE2 4.23Å; T70-F100 HydrophobicContact CG2-CD1 3.54Å; T70-F100 HydrophobicContact CG2-CE1 3.46Å; T70-F100 VanDerWaalsContact CG2-CE1 3.46Å; T70-F100 HydrophobicContact CG2-CZ 4.45Å; F72-F100 HydrophobicContact CD2-CD1 4.34Å; F72-F100 AromaticContact CD2-CD2 3.75Å; F72-F100 HydrophobicContact CD2-CD2 3.75Å; F72-F100 HydrophobicContact CD2-CE1 4.36Å; F72-F100 AromaticContact CD2-CE2 3.79Å; F72-F100 HydrophobicContact CD2-CE2 3.79Å; F72-F100 HydrophobicContact CD2-CG 4.06Å; F72-F100 HydrophobicContact CD2-CZ 4.1Å; F72-F100 AromaticContact CE2-CD2 3.61Å; F72-F100 HydrophobicContact CE2-CD2 3.61Å; F72-F100 AromaticContact CE2-CE2 3.43Å; F72-F100 HydrophobicContact CE2-CE2 3.43Å; F72-F100 VanDerWaalsContact CE2-CE2 3.43Å; F72-F100 HydrophobicContact CE2-CG 4.39Å; F72-F100 HydrophobicContact CE2-CZ 4.04Å; P92-F100 HydrophobicContact CB-CB 4.16Å; L93-F100 CarbonylContact O-C 3.52Å; L93-F100 WeakPolarHBondContact O-CA 3.12Å; D94-F100 HydrophobicContact CB-CD1 3.89Å; D94-F100 HydrophobicContact CB-CE1 3.77Å; D94-F100 VanDerWaalsContact CG-CE1 3.45Å; D94-F100 WeakPolarHBondContact OD2-CE1 3.45Å
101	L	97.4	Very high	94.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	109.9	176.5	172.9	59.9	0	0	0	109.2	Y49 Y51 L93 R95 L294 Q297	Y49-L101 HydrophobicContact CD2-CD1 3.81Å; Y49-L101 HydrophobicContact CG-CD1 4.32Å; Y51-L101 HydrophobicContact CD1-CD1 3.95Å; Y51-L101 HydrophobicContact CE1-CD1 3.68Å; L93-L101 HydrophobicContact CB-CB 4.27Å; L93-L101 HydrophobicContact CD1-CD2 4.44Å; L93-L101 PolarHBondContact N-O 2.75Å; L93-L101 PolarHBondContact O-N 2.88Å; R95-L101 HydrophobicContact CG-CB 4.4Å; L101-L294 HydrophobicContact CD2-CB 3.9Å; L101-L294 HydrophobicContact CD2-CD2 3.94Å; L101-L294 WeakPolarHBondContact CD2-O 3.33Å; L101-Q297 HydrophobicContact CD2-CB 4.25Å
102	M	98.1	Very high	94.7	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	138.1	171.2	-175.1	55	-157.6	0	0	110.4	Y49 F50 V74 V89 P90 P92	Y49-M102 CarbonylContact C-O 3.57Å; Y49-M102 WeakPolarHBondContact CA-O 3.35Å; Y49-M102 VanDerWaalsContact CB-O 3.24Å; Y49-M102 WeakPolarHBondContact CB-O 3.14Å; F50-M102 HydrophobicContact CD1-CB 4.14Å; F50-M102 HydrophobicContact CD1-CG 4.21Å; F50-M102 HydrophobicContact CD2-CB 3.9Å; F50-M102 HydrophobicContact CE1-CB 3.85Å; F50-M102 HydrophobicContact CE1-CG 3.5Å; F50-M102 HydrophobicContact CE2-CB 3.6Å; F50-M102 HydrophobicContact CE2-CG 3.91Å; F50-M102 HydrophobicContact CG-CB 4.18Å; F50-M102 HydrophobicContact CZ-CB 3.59Å; F50-M102 HydrophobicContact CZ-CG 3.35Å; F50-M102 PolarHBondContact N-O 3.2Å; F50-M102 PolarHBondContact O-N 2.8Å; V74-M102 HydrophobicContact CB-CE 3.94Å; V74-M102 HydrophobicContact CB-CG 4.15Å; V74-M102 HydrophobicContact CB-SD 3.84Å; V74-M102 HydrophobicContact CG1-CE 3.96Å; V74-M102 HydrophobicContact CG1-CG 4.01Å; V74-M102 HydrophobicContact CG1-SD 4.22Å; V74-M102 HydrophobicContact CG2-CG 3.88Å; V74-M102 HydrophobicContact CG2-SD 3.84Å; V89-M102 HydrophobicContact CB-CE 4.43Å; V89-M102 HydrophobicContact CG1-CE 3.32Å; P90-M102 WeakPolarHBondContact O-CE 3.42Å; P92-M102 HydrophobicContact CB-SD 4.26Å; P92-M102 HydrophobicContact CG-SD 3.74Å
103	R	97.8	Very high	94.7	Very high	35 Å²	35	27.4 Å²	27.4	13%	0.132	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	140.3	180	56.7	179.5	-173.9	157.3	-8.8	110.4	V47 R48 P90 M286 D292 S295	V47-R103 HydrophobicContact CG1-CB 3.84Å; R48-R103 CarbonylContact O-C 3.59Å; R48-R103 WeakPolarHBondContact O-CA 3.49Å; P90-R103 VanDerWaalsContact CD-O 3.28Å; P90-R103 WeakPolarHBondContact CD-O 3.34Å; P90-R103 HydrophobicContact CG-CG 3.82Å; R103-M286 HydrophobicContact CB-SD 3.73Å; R103-M286 WeakPolarHBondContact CD-SD 3.34Å; R103-M286 HydrophobicContact CG-CE 4.41Å; R103-M286 HydrophobicContact CG-SD 3.53Å; R103-M286 VanDerWaalsContact CG-SD 3.53Å; R103-M286 VanDerWaalsContact NH1-CG 3.31Å; R103-D292 IonicContact NH1-OD2 2.78Å; R103-D292 PolarHBondContact NH1-OD2 3.43Å; R103-S295 PolarHBondContact NH1-OG 2.9Å; R103-S295 PolarHBondContact NH2-OG 2.04Å
104	Y	98	Very high	94.9	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	146.5	175.5	67.6	-82.7	0	0	0	111.3	G38 R48 F50 V76 I87 H88 M106 L114 I116	G38-Y104 PolarHBondContact O-OH 2.82Å; R48-Y104 HydrophobicContact CB-CD1 3.96Å; R48-Y104 HydrophobicContact CB-CD2 4.2Å; R48-Y104 HydrophobicContact CB-CE1 3.5Å; R48-Y104 VanDerWaalsContact CB-CE1 3.5Å; R48-Y104 HydrophobicContact CB-CE2 3.78Å; R48-Y104 HydrophobicContact CB-CG 4.3Å; R48-Y104 VanDerWaalsContact CD-CE2 3.48Å; R48-Y104 VanDerWaalsContact CD-CZ 3.47Å; R48-Y104 WeakPolarHBondContact CD-OH 3.35Å; R48-Y104 HydrophobicContact CG-CE2 4.22Å; R48-Y104 PolarHBondContact N-O 3.3Å; R48-Y104 PolarHBondContact O-N 2.96Å; F50-Y104 HydrophobicContact CD1-CE1 4.27Å; F50-Y104 HydrophobicContact CE1-CD1 4.32Å; F50-Y104 HydrophobicContact CE1-CE1 4.17Å; V76-Y104 HydrophobicContact CG1-CD2 4.32Å; V76-Y104 HydrophobicContact CG1-CE2 4.26Å; V76-Y104 HydrophobicContact CG2-CD1 4.49Å; V76-Y104 HydrophobicContact CG2-CD2 4.48Å; V76-Y104 HydrophobicContact CG2-CG 4.28Å; I87-Y104 HydrophobicContact CG2-CD2 3.95Å; H88-Y104 CarbonylContact O-C 3.58Å; H88-Y104 VanDerWaalsContact O-CA 3.26Å; H88-Y104 WeakPolarHBondContact O-CA 3.44Å; Y104-M106 HydrophobicContact CD2-CG 4.19Å; Y104-M106 HydrophobicContact CE2-CG 4.12Å; Y104-M106 HydrophobicContact CE2-SD 4.16Å; Y104-L114 HydrophobicContact CE2-CD1 4.17Å; Y104-I116 HydrophobicContact CE1-CD1 4.3Å
105	R	97.1	Very high	95.1	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	128.4	179.3	-177.2	163	-168.7	122.3	3.6	110	P46 V47 I87 H88 Y107 Y140 L283 A285 M286	P46-R105 WeakPolarHBondContact O-CG 3.46Å; V47-R105 HydrophobicContact CG2-CB 4.44Å; I87-R105 CarbonylContact C-O 3.58Å; I87-R105 WeakPolarHBondContact CA-O 3.42Å; I87-R105 WeakPolarHBondContact CG2-O 3.19Å; H88-R105 PolarHBondContact N-O 2.89Å; H88-R105 PolarHBondContact O-N 2.88Å; R105-Y107 HydrophobicContact CG-CE1 4.48Å; R105-Y107 HydrophobicContact CG-CE2 4.3Å; R105-Y140 PolarHBondContact NH2-OH 2.81Å; R105-L283 PolarHBondContact NH1-O 3.08Å; R105-A285 PolarHBondContact NH1-O 2.91Å; R105-M286 HydrophobicContact CB-CE 4.2Å
106	M	95.2	Very high	95.3	Very high	9 Å²	9	26.9 Å²	26.9	4%	0.044	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	140	174.1	-62.1	176.9	67.2	0	0	109.3	I87 Y104 E108 V110 L114 V136 H138	I87-M106 HydrophobicContact CG1-CG 4.39Å; I87-M106 HydrophobicContact CG2-CG 4.25Å; Y104-M106 HydrophobicContact CD2-CG 4.19Å; Y104-M106 HydrophobicContact CE2-CG 4.12Å; Y104-M106 HydrophobicContact CE2-SD 4.16Å; M106-E108 WeakPolarHBondContact CE-O 3.44Å; M106-V110 HydrophobicContact CE-CG2 4.17Å; M106-L114 HydrophobicContact CE-CD1 3.99Å; M106-L114 HydrophobicContact CE-CD2 4.29Å; M106-L114 HydrophobicContact CE-CG 4.46Å; M106-L114 HydrophobicContact SD-CD1 3.77Å; M106-V136 HydrophobicContact CE-CB 4.2Å; M106-V136 HydrophobicContact CE-CG1 3.93Å; M106-V136 WeakPolarHBondContact CE-O 3.19Å; M106-V136 HydrophobicContact SD-CG1 3.72Å; M106-H138 HydrophobicContact CB-CB 3.98Å
107	Y	93	Very high	95.7	Very high	57 Å²	57	25 Å²	25	22%	0.224	12%	0.117	C	C	.	.	S	Bend	trans	-107.7	-11.2	174.1	-64	-85.3	0	0	0	112.8	R86 H88 R105	R86-Y107 HydrophobicContact CB-CD2 4.31Å; R86-Y107 HydrophobicContact CG-CD2 3.82Å; R86-Y107 HydrophobicContact CG-CE2 4.47Å; R86-Y107 HydrophobicContact CG-CG 4.48Å; R86-Y107 WeakPolarHBondContact O-CD2 3.14Å; R86-Y107 PolarHBondContact O-N 2.77Å; R86-Y107 VanDerWaalsContact O-N 3.09Å; H88-Y107 HydrophobicContact CB-CE2 3.92Å; R105-Y107 HydrophobicContact CG-CE1 4.48Å; R105-Y107 HydrophobicContact CG-CE2 4.3Å
108	E	93.4	Very high	96.1	Very high	88 Å²	88	23.8 Å²	23.8	41%	0.411	11%	0.111	S	C	.	.	S	Bend	trans	-141.4	151.5	-178.9	-68.9	165.9	127.8	0	0	109.4	V85 R86 M106	V85-E108 VanDerWaalsContact CA-OE2 3.27Å; V85-E108 WeakPolarHBondContact CA-OE2 3.31Å; V85-E108 HydrophobicContact CB-CB 4.15Å; V85-E108 HydrophobicContact CG1-CB 3.84Å; R86-E108 PolarHBondContact N-OE2 2.92Å; M106-E108 WeakPolarHBondContact CE-O 3.44Å
109	T	94.3	Very high	96.3	Very high	16 Å²	16	25 Å²	25	10%	0.098	12%	0.117	C	C	.	.			trans	-78.4	137.6	174.2	-67.6	0	0	0	0	109.9	Y137 H138	T109-Y137 HydrophobicContact CG2-CD1 3.62Å; T109-Y137 HydrophobicContact CG2-CE1 4.09Å; T109-H138 PolarHBondContact N-ND1 3.21Å; T109-H138 VanDerWaalsContact N-ND1 3.15Å; T109-H138 PolarHBondContact OG1-N 2.57Å; T109-H138 PolarHBondContact OG1-ND1 2.86Å
110	V	95.1	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-101.9	143.4	163.6	-64.3	0	0	0	0	109.2	V85 M106 L114 P135 V136	V85-V110 HydrophobicContact CB-CG1 4.1Å; V85-V110 HydrophobicContact CG1-CG1 3.59Å; V85-V110 HydrophobicContact CG2-CG1 3.48Å; V85-V110 VanDerWaalsContact CG2-CG1 3.48Å; M106-V110 HydrophobicContact CE-CG2 4.17Å; V110-L114 HydrophobicContact CB-CD2 4.47Å; V110-L114 HydrophobicContact CG1-CD2 4.04Å; V110-L114 HydrophobicContact CG2-CD2 3.63Å; V110-L114 HydrophobicContact CG2-CG 3.77Å; V110-P135 CarbonylContact O-C 3.45Å; V110-P135 WeakPolarHBondContact O-CA 3.32Å; V110-V136 HydrophobicContact CG2-CB 3.63Å; V110-V136 HydrophobicContact CG2-CG2 3.99Å; V110-V136 PolarHBondContact N-O 2.84Å; V110-V136 PolarHBondContact O-N 3.4Å
111	N	94.3	Very high	95.9	Very high	62 Å²	62	29.1 Å²	29.1	33%	0.332	15%	0.146	S	C	.	.	S	Bend	trans	-98.7	-37.6	-176.3	-55.3	-66.9	0	0	0	112.1	E83 G134 P135 H498	E83-N111 VanDerWaalsContact OE1-CB 3.3Å; E83-N111 WeakPolarHBondContact OE1-CB 3.34Å; E83-N111 PolarHBondContact OE1-N 3.44Å; E83-N111 PolarHBondContact OE1-ND2 2.99Å; E83-N111 PolarHBondContact OE2-N 2.86Å; N111-G134 CarbonylContact O-C 3.58Å; N111-P135 VanDerWaalsContact O-N 3.16Å; N111-H498 PolarHBondContact OD1-CE1 3.15Å; N111-H498 VanDerWaalsContact OD1-CE1 3.24Å
112	E	94.7	Very high	95.5	Very high	115 Å²	115	36.9 Å²	36.9	54%	0.537	19%	0.187	S	C	.	.	S	Bend	trans	-81.4	-31.2	-179.1	-67.2	-171	-137	0	0	111.9	S80 E83 G134	S80-E112 WeakPolarHBondContact CB-OE1 3.48Å; S80-E112 WeakPolarHBondContact CB-OE2 3.13Å; S80-E112 PolarHBondContact OG-OE1 2.85Å; E83-E112 PolarHBondContact OE2-N 3.43Å; E112-G134 PolarHBondContact O-N 3.05Å
113	G	96.3	Very high	95.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	132.1	-171.8	171.3	0	0	0	0	0	114.5	S78 L79 L132 G134	S78-G113 WeakPolarHBondContact CA-O 3.33Å; L79-G113 PolarHBondContact N-O 2.81Å; G113-L132 CarbonylContact C-O 3.52Å; G113-L132 WeakPolarHBondContact CA-O 3.44Å; G113-G134 WeakPolarHBondContact CA-O 3.45Å; G113-G134 PolarHBondContact N-O 3.48Å
114	L	97.6	Very high	95.4	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	143.6	-179.8	-65.2	177.8	0	0	0	112.9	V76 K77 I87 Y104 M106 V110 L132 V136	V76-L114 HydrophobicContact CG1-CD1 4.06Å; V76-L114 HydrophobicContact CG1-CD2 4.3Å; K77-L114 CarbonylContact O-C 3.48Å; K77-L114 WeakPolarHBondContact O-CA 3.38Å; K77-L114 WeakPolarHBondContact O-CD2 3.11Å; I87-L114 HydrophobicContact CD1-CD2 3.75Å; Y104-L114 HydrophobicContact CE2-CD1 4.17Å; M106-L114 HydrophobicContact CE-CD1 3.99Å; M106-L114 HydrophobicContact CE-CD2 4.29Å; M106-L114 HydrophobicContact CE-CG 4.46Å; M106-L114 HydrophobicContact SD-CD1 3.77Å; V110-L114 HydrophobicContact CB-CD2 4.47Å; V110-L114 HydrophobicContact CG1-CD2 4.04Å; V110-L114 HydrophobicContact CG2-CD2 3.63Å; V110-L114 HydrophobicContact CG2-CG 3.77Å; L114-L132 HydrophobicContact CB-CB 4.21Å; L114-L132 PolarHBondContact N-O 3.39Å; L114-L132 PolarHBondContact O-N 3.15Å; L114-V136 HydrophobicContact CD1-CB 4.26Å; L114-V136 HydrophobicContact CD1-CG1 3.77Å; L114-V136 HydrophobicContact CD1-CG2 4.38Å; L114-V136 HydrophobicContact CG-CB 4.23Å; L114-V136 HydrophobicContact CG-CG1 4.29Å; L114-V136 HydrophobicContact CG-CG2 4.07Å
115	K	97.9	Very high	95.3	Very high	67 Å²	67	44.7 Å²	44.7	29%	0.291	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	122.1	162.7	-171	-175.4	-171.2	-162.6	0	108.8	V76 K77 L79 E117 P129 I131	V76-K115 WeakPolarHBondContact CA-O 3.45Å; K77-K115 PolarHBondContact N-O 2.75Å; K77-K115 PolarHBondContact O-N 2.51Å; L79-K115 HydrophobicContact CD2-CB 3.8Å; K115-E117 HydrophobicContact CD-CG 4.23Å; K115-E117 WeakPolarHBondContact CE-OE1 3.13Å; K115-E117 HydrophobicContact CG-CG 4.28Å; K115-E117 IonicContact NZ-OE1 2.7Å; K115-E117 PolarHBondContact NZ-OE1 2.76Å; K115-P129 HydrophobicContact CD-CB 4.43Å; K115-P129 HydrophobicContact CG-CB 3.98Å; K115-I131 HydrophobicContact CB-CD1 4.19Å; K115-I131 HydrophobicContact CG-CD1 3.78Å
116	I	98.5	Very high	95.3	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	112.1	174.1	-55.4	174.8	0	0	0	108.3	L39 F50 V74 V75 V76 Y104 V118 P129 Y130 L132	L39-I116 HydrophobicContact CD2-CD1 4.04Å; F50-I116 HydrophobicContact CE1-CG2 4.19Å; F50-I116 HydrophobicContact CZ-CG2 4Å; V74-I116 HydrophobicContact CG1-CG2 4.05Å; V75-I116 CarbonylContact O-C 3.43Å; V75-I116 WeakPolarHBondContact O-CA 3.34Å; V76-I116 HydrophobicContact CG1-CG1 4.12Å; V76-I116 HydrophobicContact CG2-CG1 4.22Å; V76-I116 HydrophobicContact CG2-CG2 4.27Å; Y104-I116 HydrophobicContact CE1-CD1 4.3Å; I116-V118 HydrophobicContact CG2-CG2 4.2Å; I116-P129 CarbonylContact O-C 3.56Å; I116-P129 WeakPolarHBondContact O-CA 3.31Å; I116-Y130 PolarHBondContact N-O 3.23Å; I116-Y130 PolarHBondContact O-N 3.21Å; I116-L132 HydrophobicContact CD1-CD1 3.79Å; I116-L132 HydrophobicContact CD1-CD2 4.07Å; I116-L132 HydrophobicContact CG1-CD1 4.33Å
117	E	98.4	Very high	95.4	Very high	36 Å²	36	51.6 Å²	51.6	17%	0.168	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	113.7	174.8	-69	170.7	131.8	0	0	108.6	V74 V75 K115 P129	V74-E117 CarbonylContact C-O 3.56Å; V74-E117 VanDerWaalsContact CA-O 3.28Å; V74-E117 WeakPolarHBondContact CA-O 3.35Å; V75-E117 HydrophobicContact CB-CB 4.27Å; V75-E117 PolarHBondContact N-O 2.93Å; V75-E117 PolarHBondContact O-N 3.22Å; K115-E117 HydrophobicContact CD-CG 4.23Å; K115-E117 WeakPolarHBondContact CE-OE1 3.13Å; K115-E117 HydrophobicContact CG-CG 4.28Å; K115-E117 IonicContact NZ-OE1 2.7Å; K115-E117 PolarHBondContact NZ-OE1 2.76Å; E117-P129 HydrophobicContact CG-CB 3.96Å
118	V	98.3	Very high	95.6	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122	169.3	-172.5	0	0	0	0	108.1	V34 F50 L52 F72 V74 I116 V125 S128 Y130	V34-V118 HydrophobicContact CG1-CG2 4.44Å; F50-V118 HydrophobicContact CE2-CG2 3.91Å; F50-V118 HydrophobicContact CZ-CG2 4.01Å; L52-V118 HydrophobicContact CD1-CG1 4.24Å; L52-V118 HydrophobicContact CD2-CG1 3.57Å; F72-V118 HydrophobicContact CD1-CG1 4.48Å; V74-V118 HydrophobicContact CG2-CG1 4.24Å; V74-V118 HydrophobicContact CG2-CG2 4.28Å; I116-V118 HydrophobicContact CG2-CG2 4.2Å; V118-V125 HydrophobicContact CB-CB 4.13Å; V118-V125 HydrophobicContact CG1-CB 3.7Å; V118-V125 HydrophobicContact CG1-CG1 4.15Å; V118-V125 HydrophobicContact CG1-CG2 3.9Å; V118-V125 PolarHBondContact O-N 2.94Å; V118-S128 PolarHBondContact N-OG 3.15Å; V118-S128 VanDerWaalsContact O-CB 3.23Å; V118-S128 WeakPolarHBondContact O-CB 3.48Å; V118-S128 PolarHBondContact O-OG 3.24Å; V118-Y130 HydrophobicContact CB-CE2 4.25Å; V118-Y130 HydrophobicContact CG2-CD2 4.08Å; V118-Y130 HydrophobicContact CG2-CE2 3.76Å
119	L	96.6	Very high	95.8	Very high	26 Å²	26	47.6 Å²	47.6	14%	0.136	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.5	-176.2	-57.5	172.9	0	0	0	110.4	F72 K73 E123	F72-L119 CarbonylContact C-O 3.52Å; F72-L119 VanDerWaalsContact CA-O 3.27Å; F72-L119 WeakPolarHBondContact CA-O 3.33Å; K73-L119 HydrophobicContact CB-CB 4.39Å; K73-L119 PolarHBondContact N-O 2.79Å; K73-L119 PolarHBondContact O-N 3.05Å; L119-E123 CarbonylContact C-O 3.46Å; L119-E123 WeakPolarHBondContact CA-O 3.4Å
120	Y	93.1	Very high	96	Very high	54 Å²	54	47.7 Å²	47.7	21%	0.212	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	108.6	165.6	-178.6	-81.4	0	0	0	107.1	V27 P71 F72 D122 E123	V27-Y120 HydrophobicContact CB-CD2 4.22Å; V27-Y120 HydrophobicContact CB-CE1 4.02Å; V27-Y120 HydrophobicContact CB-CE2 3.51Å; V27-Y120 VanDerWaalsContact CB-CZ 3.46Å; V27-Y120 HydrophobicContact CG1-CD2 3.87Å; V27-Y120 HydrophobicContact CG1-CE2 3.63Å; V27-Y120 HydrophobicContact CG1-CG 4.38Å; V27-Y120 HydrophobicContact CG2-CE2 3.64Å; P71-Y120 HydrophobicContact CB-CD2 3.96Å; P71-Y120 HydrophobicContact CB-CE1 4.42Å; P71-Y120 HydrophobicContact CB-CE2 3.68Å; P71-Y120 HydrophobicContact CB-CG 4.47Å; P71-Y120 HydrophobicContact CG-CD2 3.57Å; P71-Y120 HydrophobicContact CG-CE1 4.43Å; P71-Y120 HydrophobicContact CG-CE2 2.98Å; P71-Y120 VanDerWaalsContact CG-CZ 3.45Å; F72-Y120 HydrophobicContact CD1-CD2 4.1Å; F72-Y120 HydrophobicContact CD2-CD2 4.29Å; F72-Y120 AromaticContact CE1-CD2 3.8Å; F72-Y120 HydrophobicContact CE1-CD2 3.8Å; F72-Y120 HydrophobicContact CE1-CG 4.44Å; F72-Y120 AromaticContact CE2-CD2 3.97Å; F72-Y120 HydrophobicContact CE2-CD2 3.97Å; F72-Y120 HydrophobicContact CE2-CE2 4.31Å; F72-Y120 HydrophobicContact CG-CD2 4.35Å; F72-Y120 AromaticContact CZ-CD2 3.73Å; F72-Y120 HydrophobicContact CZ-CD2 3.73Å; F72-Y120 HydrophobicContact CZ-CE2 4.35Å; Y120-D122 PolarHBondContact O-N 3.32Å; Y120-E123 PolarHBondContact N-O 3.11Å; Y120-E123 PolarHBondContact O-N 3.43Å
121	G	88.7	Confident	96.1	Very high	46 Å²	46	51.5 Å²	51.5	47%	0.474	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	-122.9	-160.9	0	0	0	0	0	110.2	P71	P71-G121 PolarHBondContact O-N 3.14Å
122	D	90.1	Very high	96.3	Very high	162 Å²	162	48.9 Å²	48.9	87%	0.866	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	0.4	176.5	-63.1	-43.4	0	0	0	113.3	Y120	Y120-D122 PolarHBondContact O-N 3.32Å
123	E	94.8	Very high	96.3	Very high	121 Å²	121	51.5 Å²	51.5	57%	0.565	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	142.8	-178.1	-66.6	-167	164.8	0	0	112.8	A29 L119 Y120	A29-E123 HydrophobicContact CB-CB 3.8Å; L119-E123 CarbonylContact C-O 3.46Å; L119-E123 WeakPolarHBondContact CA-O 3.4Å; Y120-E123 PolarHBondContact N-O 3.11Å; Y120-E123 PolarHBondContact O-N 3.43Å
124	H	97.4	Very high	96	Very high	78 Å²	78	52.7 Å²	52.7	36%	0.361	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	133.4	174.8	-79.7	-86.3	0	0	0	111.9	S128	H124-S128 WeakPolarHBondContact CB-O 3.26Å; H124-S128 PolarHBondContact ND1-O 3.2Å; H124-S128 VanDerWaalsContact ND1-O 3.16Å; H124-S128 PolarHBondContact ND1-OG 2.98Å
125	V	97.3	Very high	95.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-87.8	124	178.9	179.2	0	0	0	0	110.2	A29 V34 F72 V118 Q127 S128 Y130	A29-V125 HydrophobicContact CB-CG2 4.34Å; A29-V125 WeakPolarHBondContact O-CA 3.41Å; V34-V125 HydrophobicContact CG2-CB 4.5Å; V34-V125 HydrophobicContact CG2-CG1 3.68Å; F72-V125 HydrophobicContact CD1-CG2 3.89Å; F72-V125 HydrophobicContact CE1-CG1 4.07Å; F72-V125 HydrophobicContact CE1-CG2 3.67Å; V118-V125 HydrophobicContact CB-CB 4.13Å; V118-V125 HydrophobicContact CG1-CB 3.7Å; V118-V125 HydrophobicContact CG1-CG1 4.15Å; V118-V125 HydrophobicContact CG1-CG2 3.9Å; V118-V125 PolarHBondContact O-N 2.94Å; V125-Q127 PolarHBondContact O-N 2.77Å; V125-S128 WeakPolarHBondContact O-CB 3.26Å; V125-S128 PolarHBondContact O-N 3.49Å; V125-Y130 PolarHBondContact O-OH 2.96Å
126	A	96.4	Very high	95.8	Very high	29 Å²	29	51.4 Å²	51.4	24%	0.24	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	-127	-176	0	0	0	0	0	111.6	A29 S32 V34 S128	A29-A126 PolarHBondContact O-N 2.88Å; S32-A126 WeakPolarHBondContact O-CB 3.44Å; V34-A126 HydrophobicContact CG2-CB 4.23Å; A126-S128 VanDerWaalsContact C-N 3.28Å; A126-S128 PolarHBondContact O-N 2.8Å
127	Q	96.8	Very high	95.7	Very high	127 Å²	127	51.8 Å²	51.8	59%	0.593	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	13.3	178.9	72.4	-86.6	35.1	0	0	114.7	V125 P129 Y130	V125-Q127 PolarHBondContact O-N 2.77Å; Q127-P129 CarbonylContact O-C 3.47Å; Q127-Y130 HydrophobicContact CG-CD1 4.14Å; Q127-Y130 HydrophobicContact CG-CE1 3.59Å; Q127-Y130 VanDerWaalsContact NE2-CE1 3.32Å; Q127-Y130 PolarHBondContact OE1-OH 2.93Å; Q127-Y130 VanDerWaalsContact OE1-OH 3.04Å
128	S	97.6	Very high	95.5	Very high	10 Å²	10	50.1 Å²	50.1	7%	0.07	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-52.1	136.4	175.6	177.4	0	0	0	0	110.9	V118 H124 V125 A126	V118-S128 PolarHBondContact N-OG 3.15Å; V118-S128 VanDerWaalsContact O-CB 3.23Å; V118-S128 WeakPolarHBondContact O-CB 3.48Å; V118-S128 PolarHBondContact O-OG 3.24Å; H124-S128 WeakPolarHBondContact CB-O 3.26Å; H124-S128 PolarHBondContact ND1-O 3.2Å; H124-S128 VanDerWaalsContact ND1-O 3.16Å; H124-S128 PolarHBondContact ND1-OG 2.98Å; V125-S128 WeakPolarHBondContact O-CB 3.26Å; V125-S128 PolarHBondContact O-N 3.49Å; A126-S128 VanDerWaalsContact C-N 3.28Å; A126-S128 PolarHBondContact O-N 2.8Å
129	P	98	Very high	95.3	Very high	50 Å²	50	50.4 Å²	50.4	33%	0.325	27%	0.271	S	S	.	.	S	Bend	cis	-78.4	146.2	4.3	31.6	-35.2	0	0	0	114.6	K115 I116 E117 Q127 I131	K115-P129 HydrophobicContact CD-CB 4.43Å; K115-P129 HydrophobicContact CG-CB 3.98Å; I116-P129 CarbonylContact O-C 3.56Å; I116-P129 WeakPolarHBondContact O-CA 3.31Å; E117-P129 HydrophobicContact CG-CB 3.96Å; Q127-P129 CarbonylContact O-C 3.47Å; P129-I131 HydrophobicContact CB-CD1 4.43Å
130	Y	98.3	Very high	95.2	Very high	18 Å²	18	50.8 Å²	50.8	7%	0.071	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	125.4	171.7	-53.7	-102.8	0	0	0	109.4	V34 L39 I116 V118 V125 Q127	V34-Y130 HydrophobicContact CB-CE1 4.1Å; V34-Y130 HydrophobicContact CB-CE2 4.32Å; V34-Y130 WeakPolarHBondContact CB-OH 3.22Å; V34-Y130 HydrophobicContact CG1-CE1 4.09Å; V34-Y130 HydrophobicContact CG1-CE2 4.05Å; V34-Y130 HydrophobicContact CG2-CE2 4.34Å; V34-Y130 WeakPolarHBondContact CG2-OH 3.13Å; L39-Y130 HydrophobicContact CD1-CD1 4.31Å; L39-Y130 HydrophobicContact CD1-CE1 4.33Å; L39-Y130 HydrophobicContact CD2-CD1 4.17Å; L39-Y130 HydrophobicContact CD2-CD2 4.46Å; L39-Y130 HydrophobicContact CD2-CG 4.07Å; I116-Y130 PolarHBondContact N-O 3.23Å; I116-Y130 PolarHBondContact O-N 3.21Å; V118-Y130 HydrophobicContact CB-CE2 4.25Å; V118-Y130 HydrophobicContact CG2-CD2 4.08Å; V118-Y130 HydrophobicContact CG2-CE2 3.76Å; V125-Y130 PolarHBondContact O-OH 2.96Å; Q127-Y130 HydrophobicContact CG-CD1 4.14Å; Q127-Y130 HydrophobicContact CG-CE1 3.59Å; Q127-Y130 VanDerWaalsContact NE2-CE1 3.32Å; Q127-Y130 PolarHBondContact OE1-OH 2.93Å; Q127-Y130 VanDerWaalsContact OE1-OH 3.04Å
131	I	98.1	Very high	95.3	Very high	80 Å²	80	48.4 Å²	48.4	41%	0.41	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	108	-178	-54	-60.5	0	0	0	109.3	L79 K115 P129 K133	L79-I131 HydrophobicContact CD1-CG2 3.73Å; L79-I131 HydrophobicContact CD2-CD1 3.78Å; L79-I131 HydrophobicContact CD2-CG2 3.86Å; L79-I131 HydrophobicContact CG-CG2 4.46Å; K115-I131 HydrophobicContact CB-CD1 4.19Å; K115-I131 HydrophobicContact CG-CD1 3.78Å; P129-I131 HydrophobicContact CB-CD1 4.43Å; I131-K133 HydrophobicContact CG2-CG 3.93Å; I131-K133 PolarHBondContact O-N 3.08Å
132	L	97.2	Very high	95.6	Very high	7 Å²	7	51.1 Å²	51.1	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	95.4	175.2	-77.9	62.2	0	0	0	107.2	L39 A41 G113 L114 I116 V136	L39-L132 WeakPolarHBondContact O-CD1 3.4Å; L39-L132 WeakPolarHBondContact O-CG 3.3Å; A41-L132 HydrophobicContact CB-CB 4.15Å; G113-L132 CarbonylContact C-O 3.52Å; G113-L132 WeakPolarHBondContact CA-O 3.44Å; L114-L132 HydrophobicContact CB-CB 4.21Å; L114-L132 PolarHBondContact N-O 3.39Å; L114-L132 PolarHBondContact O-N 3.15Å; I116-L132 HydrophobicContact CD1-CD1 3.79Å; I116-L132 HydrophobicContact CD1-CD2 4.07Å; I116-L132 HydrophobicContact CG1-CD1 4.33Å; L132-V136 HydrophobicContact CB-CG2 4.22Å
133	K	95.1	Very high	95.8	Very high	171 Å²	171	43.4 Å²	43.4	74%	0.743	22%	0.221	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-75.3	144.9	-177.5	-64.7	-174.7	178.5	-179	0	112.1	I131	I131-K133 HydrophobicContact CG2-CG 3.93Å; I131-K133 PolarHBondContact O-N 3.08Å
134	G	89.9	Confident	95.9	Very high	24 Å²	24	39 Å²	39	25%	0.247	20%	0.202	C	C	.	.	S	Bend	trans	85.9	-173.8	173.7	0	0	0	0	0	112.9	N111 E112 G113 V136	N111-G134 CarbonylContact O-C 3.58Å; E112-G134 PolarHBondContact O-N 3.05Å; G113-G134 WeakPolarHBondContact CA-O 3.45Å; G113-G134 PolarHBondContact N-O 3.48Å; G134-V136 PolarHBondContact O-N 3Å
135	P	94.4	Very high	95.7	Very high	41 Å²	41	36.8 Å²	36.8	27%	0.266	19%	0.192	S	C	.	.			trans	-64.6	127.5	-173.8	24.6	-33.1	0	0	0	110.8	V110 N111 Y137 H498	V110-P135 CarbonylContact O-C 3.45Å; V110-P135 WeakPolarHBondContact O-CA 3.32Å; N111-P135 VanDerWaalsContact O-N 3.16Å; P135-Y137 HydrophobicContact CB-CE1 3.98Å; P135-Y137 HydrophobicContact CB-CE2 4.24Å; P135-Y137 HydrophobicContact CG-CE2 4.32Å; P135-H498 HydrophobicContact CG-CB 4.14Å
136	V	96.4	Very high	95.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-113	99.3	174.8	-172.6	0	0	0	0	107.5	A41 M106 V110 L114 L132 G134	A41-V136 HydrophobicContact CB-CG2 4.01Å; M106-V136 HydrophobicContact CE-CB 4.2Å; M106-V136 HydrophobicContact CE-CG1 3.93Å; M106-V136 WeakPolarHBondContact CE-O 3.19Å; M106-V136 HydrophobicContact SD-CG1 3.72Å; V110-V136 HydrophobicContact CG2-CB 3.63Å; V110-V136 HydrophobicContact CG2-CG2 3.99Å; V110-V136 PolarHBondContact N-O 2.84Å; V110-V136 PolarHBondContact O-N 3.4Å; L114-V136 HydrophobicContact CD1-CB 4.26Å; L114-V136 HydrophobicContact CD1-CG1 3.77Å; L114-V136 HydrophobicContact CD1-CG2 4.38Å; L114-V136 HydrophobicContact CG-CB 4.23Å; L114-V136 HydrophobicContact CG-CG1 4.29Å; L114-V136 HydrophobicContact CG-CG2 4.07Å; L132-V136 HydrophobicContact CB-CG2 4.22Å; G134-V136 PolarHBondContact O-N 3Å
137	Y	96.3	Very high	95.7	Very high	7 Å²	7	39.4 Å²	39.4	3%	0.027	20%	0.203	C	C	.	.			trans	-74.2	141.6	-175.2	-56.7	-66.9	0	0	0	112.2	V44 R48 T109 P135 C141 C143 H498 R499	V44-Y137 HydrophobicContact CG2-CD2 4.28Å; R48-Y137 PolarHBondContact NH2-O 3.2Å; T109-Y137 HydrophobicContact CG2-CD1 3.62Å; T109-Y137 HydrophobicContact CG2-CE1 4.09Å; P135-Y137 HydrophobicContact CB-CE1 3.98Å; P135-Y137 HydrophobicContact CB-CE2 4.24Å; P135-Y137 HydrophobicContact CG-CE2 4.32Å; Y137-C141 HydrophobicContact CD1-CB 4.29Å; Y137-C141 WeakPolarHBondContact CD1-SG 2.91Å; Y137-C143 HydrophobicContact CD1-CB 4.44Å; Y137-C143 HydrophobicContact CE1-CB 4.26Å; Y137-C143 HydrophobicContact CE2-CB 4.48Å; Y137-C143 VanDerWaalsContact CZ-SG 3.52Å; Y137-H498 WeakPolarHBondContact OH-CA 3.39Å; Y137-H498 VanDerWaalsContact OH-CB 3.3Å; Y137-H498 WeakPolarHBondContact OH-CB 3.42Å; Y137-H498 PolarHBondContact OH-N 3.31Å; Y137-R499 HydrophobicContact CE2-CG 4.3Å
138	H	95.2	Very high	95.6	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.009	21%	0.209	C	C	.	.			trans	-86.7	169.8	167.5	75	-77.4	0	0	0	111	M106 T109 Y140 C141 T492	M106-H138 HydrophobicContact CB-CB 3.98Å; T109-H138 PolarHBondContact N-ND1 3.21Å; T109-H138 VanDerWaalsContact N-ND1 3.15Å; T109-H138 PolarHBondContact OG1-N 2.57Å; T109-H138 PolarHBondContact OG1-ND1 2.86Å; H138-Y140 VanDerWaalsContact C-N 3.34Å; H138-Y140 PolarHBondContact CD2-N 3.48Å; H138-Y140 PolarHBondContact O-N 2.92Å; H138-C141 PolarHBondContact NE2-N 2.98Å; H138-C141 WeakPolarHBondContact O-CB 3Å; H138-C141 PolarHBondContact O-N 2.93Å; H138-T492 PolarHBondContact NE2-O 3.17Å
139	E	94.6	Very high	95.6	Very high	6 Å²	6	41.9 Å²	41.9	3%	0.028	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-37.5	-170.9	174.1	47	-144.4	0	0	116	P46 S224 R227 K228	P46-E139 HydrophobicContact CB-CG 4.16Å; P46-E139 WeakPolarHBondContact CD-OE2 3.07Å; P46-E139 HydrophobicContact CG-CG 4.2Å; P46-E139 VanDerWaalsContact CG-OE2 3.31Å; P46-E139 WeakPolarHBondContact CG-OE2 3.33Å; E139-S224 WeakPolarHBondContact OE1-CB 3.23Å; E139-S224 PolarHBondContact OE1-OG 3.43Å; E139-R227 PolarHBondContact O-NE 3.4Å; E139-R227 IonicContact OE1-CZ 3.89Å; E139-R227 IonicContact OE1-NE 3.77Å; E139-R227 IonicContact OE1-NH2 3.83Å; E139-R227 PolarHBondContact OE1-NH2 3.49Å; E139-K228 IonicContact OE1-NZ 2.8Å; E139-K228 PolarHBondContact OE1-NZ 2.95Å; E139-K228 WeakPolarHBondContact OE2-CE 3.24Å; E139-K228 IonicContact OE2-NZ 2.75Å; E139-K228 PolarHBondContact OE2-NZ 2.97Å
140	Y	94.6	Very high	95.5	Very high	33 Å²	33	39.6 Å²	39.6	13%	0.129	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-1.7	-173.6	-56.3	-69.9	0	0	0	113	R105 H138 E142 R227 R287 T492	R105-Y140 PolarHBondContact NH2-OH 2.81Å; H138-Y140 VanDerWaalsContact C-N 3.34Å; H138-Y140 PolarHBondContact CD2-N 3.48Å; H138-Y140 PolarHBondContact O-N 2.92Å; Y140-E142 PolarHBondContact O-N 2.82Å; Y140-R227 WeakPolarHBondContact O-CD 3.36Å; Y140-R287 PolarHBondContact OH-NH1 3.16Å; Y140-R287 VanDerWaalsContact OH-NH1 3.1Å; Y140-T492 WeakPolarHBondContact CB-O 3.22Å
141	C	94.6	Very high	95.5	Very high	4 Å²	4	40.6 Å²	40.6	3%	0.027	21%	0.21	C	C	.	.			trans	-69.6	116.9	173.7	-178.1	0	0	0	0	110.5	Y137 H138 C143 C495	Y137-C141 HydrophobicContact CD1-CB 4.29Å; Y137-C141 WeakPolarHBondContact CD1-SG 2.91Å; H138-C141 PolarHBondContact NE2-N 2.98Å; H138-C141 WeakPolarHBondContact O-CB 3Å; H138-C141 PolarHBondContact O-N 2.93Å; C141-C143 PolarHBondContact O-N 3.18Å; C141-C143 VanDerWaalsContact O-N 3.11Å; C141-C495 WeakPolarHBondContact CA-SG 3.26Å; C141-C495 HydrophobicContact CB-CB 3.7Å; C141-C495 WeakPolarHBondContact CB-SG 3.46Å; C141-C495 WeakPolarHBondContact SG-CB 3.04Å; C141-C495 CovalentContact SG-SG 2.02Å; C141-C495 PolarHBondContact SG-SG 2.93Å
142	E	94.4	Very high	95.5	Very high	103 Å²	103	45.1 Å²	45.1	48%	0.481	23%	0.227	S	C	.	.			trans	-77.4	94.8	172	-167.8	-177.7	149	0	0	109.9	Y140 R227	Y140-E142 PolarHBondContact O-N 2.82Å; E142-R227 HydrophobicContact CB-CG 4.27Å; E142-R227 HydrophobicContact CG-CG 4.39Å
143	C	94.6	Very high	95.4	Very high	1 Å²	1	46 Å²	46	1%	0.007	23%	0.232	C	C	.	.			trans	-147.1	69.4	177.7	-166.2	0	0	0	0	110	Y137 C141 R227 C497 R499	Y137-C143 HydrophobicContact CD1-CB 4.44Å; Y137-C143 HydrophobicContact CE1-CB 4.26Å; Y137-C143 HydrophobicContact CE2-CB 4.48Å; Y137-C143 VanDerWaalsContact CZ-SG 3.52Å; C141-C143 PolarHBondContact O-N 3.18Å; C141-C143 VanDerWaalsContact O-N 3.11Å; C143-R227 CarbonylContact C-O 3.48Å; C143-R227 PolarHBondContact N-O 3.16Å; C143-C497 WeakPolarHBondContact CA-SG 3.46Å; C143-C497 HydrophobicContact CB-CB 3.55Å; C143-C497 WeakPolarHBondContact CB-SG 3.35Å; C143-C497 WeakPolarHBondContact SG-CA 3.45Å; C143-C497 WeakPolarHBondContact SG-CB 3.1Å; C143-C497 CovalentContact SG-SG 2.04Å; C143-C497 PolarHBondContact SG-SG 3.03Å; C143-R499 VanDerWaalsContact O-CD 3.28Å; C143-R499 WeakPolarHBondContact O-CD 3.44Å; C143-R499 PolarHBondContact O-NH1 3.22Å
144	P	95.9	Very high	95.5	Very high	27 Å²	27	38.1 Å²	38.1	18%	0.175	20%	0.199	C	C	.	.	P	Polyproline II helix	trans	-63.9	144.6	-176	25.4	-33.4	0	0	0	111.5	R227 L230	P144-R227 VanDerWaalsContact N-O 3.16Å; P144-L230 HydrophobicContact CB-CD2 3.94Å; P144-L230 HydrophobicContact CB-CG 4.12Å; P144-L230 HydrophobicContact CG-CD2 3.86Å; P144-L230 HydrophobicContact CG-CG 4.49Å
145	E	94.9	Very high	95.8	Very high	33 Å²	33	41.3 Å²	41.3	15%	0.154	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-101.8	159.1	175.1	-172.8	164.8	-162.5	0	0	111	A149 W150 K228 V229 L230 R499	E145-A149 HydrophobicContact CG-CB 3.93Å; E145-A149 WeakPolarHBondContact OE1-CB 3.37Å; E145-W150 HydrophobicContact CB-CB 4.12Å; E145-W150 HydrophobicContact CG-CB 4.25Å; E145-K228 PolarHBondContact N-O 2.87Å; E145-V229 WeakPolarHBondContact O-CA 3.24Å; E145-L230 PolarHBondContact O-N 2.71Å; E145-L230 VanDerWaalsContact O-N 3.14Å; E145-R499 IonicContact OE2-CZ 3.74Å; E145-R499 VanDerWaalsContact OE2-CZ 3.25Å; E145-R499 IonicContact OE2-NE 3.89Å; E145-R499 IonicContact OE2-NH1 2.51Å; E145-R499 IonicContact OE2-NH2 2.8Å; E145-R499 PolarHBondContact OE2-NH2 2.95Å
146	D	95.3	Very high	95.9	Very high	62 Å²	62	40.1 Å²	40.1	33%	0.332	21%	0.21	S	C	.	.	P	Polyproline II helix	trans	-53.8	136.7	166.4	168.9	-92.5	0	0	0	110.4	Q148 A149 W150	D146-Q148 VanDerWaalsContact C-N 3.33Å; D146-Q148 PolarHBondContact O-N 3.13Å; D146-Q148 WeakPolarHBondContact OD1-CA 3.38Å; D146-Q148 WeakPolarHBondContact OD1-CB 3.31Å; D146-Q148 PolarHBondContact OD1-N 3.27Å; D146-A149 HydrophobicContact CB-CB 4.24Å; D146-A149 PolarHBondContact O-N 2.89Å; D146-A149 PolarHBondContact OD1-N 3.19Å; D146-W150 WeakPolarHBondContact O-CB 3.44Å; D146-W150 PolarHBondContact O-N 3.44Å
147	P	96.8	Very high	95.9	Very high	21 Å²	21	41.4 Å²	41.4	14%	0.136	22%	0.218	C	C	.	.	H	α-helix	trans	-65.5	-28.9	-173	-21.5	32.7	0	0	0	115.7	Q151 V229 L230 Y462	P147-Q151 WeakPolarHBondContact O-CB 3.09Å; P147-Q151 VanDerWaalsContact O-CG 3.23Å; P147-Q151 WeakPolarHBondContact O-CG 3.39Å; P147-Q151 PolarHBondContact O-N 2.65Å; P147-Q151 PolarHBondContact O-NE2 2.93Å; P147-V229 HydrophobicContact CB-CG2 3.91Å; P147-V229 HydrophobicContact CG-CG2 4.07Å; P147-L230 HydrophobicContact CG-CB 4.38Å; P147-L230 WeakPolarHBondContact CG-O 3.48Å; P147-Y462 HydrophobicContact CB-CE1 4.49Å; P147-Y462 HydrophobicContact CB-CE2 3.98Å; P147-Y462 WeakPolarHBondContact CB-OH 3.42Å; P147-Y462 HydrophobicContact CG-CE2 4.49Å
148	Q	96.3	Very high	95.8	Very high	154 Å²	154	47.7 Å²	47.7	72%	0.72	26%	0.257	S	S	*	.	H	α-helix	trans	-72.6	-44.9	176.8	-57.8	-175.9	17.6	0	0	110.3	D146 K152	D146-Q148 VanDerWaalsContact C-N 3.33Å; D146-Q148 PolarHBondContact O-N 3.13Å; D146-Q148 WeakPolarHBondContact OD1-CA 3.38Å; D146-Q148 WeakPolarHBondContact OD1-CB 3.31Å; D146-Q148 PolarHBondContact OD1-N 3.27Å; Q148-K152 WeakPolarHBondContact O-CB 3.29Å; Q148-K152 PolarHBondContact O-N 3.06Å
149	A	96	Very high	95.7	Very high	35 Å²	35	55.8 Å²	55.8	29%	0.289	29%	0.292	S	S	.	.	H	α-helix	trans	-62.5	-43.1	175.7	0	0	0	0	0	111.8	E145 D146 K152 T153	E145-A149 HydrophobicContact CG-CB 3.93Å; E145-A149 WeakPolarHBondContact OE1-CB 3.37Å; D146-A149 HydrophobicContact CB-CB 4.24Å; D146-A149 PolarHBondContact O-N 2.89Å; D146-A149 PolarHBondContact OD1-N 3.19Å; A149-K152 PolarHBondContact O-N 3.5Å; A149-T153 WeakPolarHBondContact O-CB 3.23Å; A149-T153 PolarHBondContact O-N 3.06Å; A149-T153 PolarHBondContact O-OG1 2.52Å; A149-T153 VanDerWaalsContact O-OG1 3.08Å
150	W	97.3	Very high	95.7	Very high	3 Å²	3	57 Å²	57	1%	0.011	30%	0.298	C	S	.	.	H	α-helix	trans	-63.2	-48.7	178.3	-177.7	83.6	0	0	0	112.5	E145 D146 K152 T153 L154 L225 V229 Y462	E145-W150 HydrophobicContact CB-CB 4.12Å; E145-W150 HydrophobicContact CG-CB 4.25Å; D146-W150 WeakPolarHBondContact O-CB 3.44Å; D146-W150 PolarHBondContact O-N 3.44Å; W150-K152 VanDerWaalsContact C-N 3.29Å; W150-K152 PolarHBondContact O-N 3.36Å; W150-T153 WeakPolarHBondContact O-CB 3.02Å; W150-T153 PolarHBondContact O-N 2.91Å; W150-L154 HydrophobicContact CD2-CD1 4.11Å; W150-L154 VanDerWaalsContact CE2-CD1 3.45Å; W150-L154 HydrophobicContact CE3-CD1 4.44Å; W150-L154 HydrophobicContact CH2-CD1 3.66Å; W150-L154 HydrophobicContact CZ2-CD1 3.23Å; W150-L154 HydrophobicContact CZ2-CG 4.37Å; W150-L154 HydrophobicContact CZ3-CD1 4.23Å; W150-L154 PolarHBondContact O-N 3.15Å; W150-L225 HydrophobicContact CH2-CD2 4.15Å; W150-L225 HydrophobicContact CZ2-CD2 4.34Å; W150-V229 HydrophobicContact CB-CB 4.21Å; W150-V229 HydrophobicContact CB-CG2 3.87Å; W150-V229 HydrophobicContact CD2-CB 3.66Å; W150-V229 HydrophobicContact CD2-CG1 4.08Å; W150-V229 HydrophobicContact CD2-CG2 3.86Å; W150-V229 HydrophobicContact CE3-CB 4.1Å; W150-V229 HydrophobicContact CE3-CG1 4.24Å; W150-V229 HydrophobicContact CE3-CG2 3.93Å; W150-V229 HydrophobicContact CG-CB 3.7Å; W150-V229 HydrophobicContact CG-CG2 3.85Å; W150-V229 HydrophobicContact CH2-CG1 4.29Å; W150-V229 HydrophobicContact CZ2-CG1 4.12Å; W150-V229 HydrophobicContact CZ3-CG1 4.36Å; W150-Y462 HydrophobicContact CE3-CG 4.41Å; W150-Y462 HydrophobicContact CH2-CG 4.45Å; W150-Y462 HydrophobicContact CZ3-CD1 4.2Å; W150-Y462 HydrophobicContact CZ3-CD2 4.22Å; W150-Y462 AromaticContact CZ3-CG 3.73Å; W150-Y462 HydrophobicContact CZ3-CG 3.73Å
151	Q	97.8	Very high	95.8	Very high	38 Å²	38	59.4 Å²	59.4	18%	0.178	32%	0.317	C	S	.	.	H	α-helix	trans	-61.1	-39	177.4	-76.6	176.7	91.7	0	0	112	P147 L154 S155 C156 Y462	P147-Q151 WeakPolarHBondContact O-CB 3.09Å; P147-Q151 VanDerWaalsContact O-CG 3.23Å; P147-Q151 WeakPolarHBondContact O-CG 3.39Å; P147-Q151 PolarHBondContact O-N 2.65Å; P147-Q151 PolarHBondContact O-NE2 2.93Å; Q151-L154 PolarHBondContact O-N 2.89Å; Q151-S155 PolarHBondContact O-N 3.04Å; Q151-S155 VanDerWaalsContact O-N 3.1Å; Q151-C156 HydrophobicContact CB-CB 4.08Å; Q151-C156 HydrophobicContact CG-CB 4.25Å; Q151-C156 PolarHBondContact O-N 2.96Å; Q151-Y462 VanDerWaalsContact CD-CE1 3.47Å; Q151-Y462 HydrophobicContact CG-CD1 4.04Å; Q151-Y462 HydrophobicContact CG-CE1 4.05Å
152	K	97.1	Very high	96	Very high	175 Å²	175	59.5 Å²	59.5	76%	0.761	32%	0.318	S	S	*	.	H	α-helix	trans	-64.8	-43.9	175.2	-177.4	179.4	177.9	-178.7	0	111.7	Q148 A149 W150 L154 S155	Q148-K152 WeakPolarHBondContact O-CB 3.29Å; Q148-K152 PolarHBondContact O-N 3.06Å; A149-K152 PolarHBondContact O-N 3.5Å; W150-K152 VanDerWaalsContact C-N 3.29Å; W150-K152 PolarHBondContact O-N 3.36Å; K152-L154 VanDerWaalsContact C-N 3.33Å; K152-L154 PolarHBondContact O-N 2.69Å; K152-S155 PolarHBondContact O-N 3.13Å; K152-S155 VanDerWaalsContact O-N 3.11Å
153	T	95.8	Very high	96.2	Very high	26 Å²	26	55.1 Å²	55.1	16%	0.16	30%	0.297	C	S	.	.	H	α-helix	trans	-59.4	-42.2	176.5	-71.5	0	0	0	0	112.3	A42 V43 A149 W150 S155	A42-T153 HydrophobicContact CB-CG2 3.67Å; V43-T153 HydrophobicContact CB-CG2 4.49Å; V43-T153 HydrophobicContact CG2-CG2 3.75Å; A149-T153 WeakPolarHBondContact O-CB 3.23Å; A149-T153 PolarHBondContact O-N 3.06Å; A149-T153 PolarHBondContact O-OG1 2.52Å; A149-T153 VanDerWaalsContact O-OG1 3.08Å; W150-T153 WeakPolarHBondContact O-CB 3.02Å; W150-T153 PolarHBondContact O-N 2.91Å; T153-S155 VanDerWaalsContact C-N 3.26Å; T153-S155 PolarHBondContact O-N 2.97Å
154	L	96.7	Very high	96.3	Very high	6 Å²	6	58.1 Å²	58.1	3%	0.031	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-1.1	177.1	-66.4	-167.8	0	0	0	113.9	V43 W150 Q151 K152 C156 H455	V43-L154 HydrophobicContact CB-CD2 4.32Å; V43-L154 HydrophobicContact CG1-CD2 3.74Å; V43-L154 HydrophobicContact CG2-CD2 4.16Å; W150-L154 HydrophobicContact CD2-CD1 4.11Å; W150-L154 VanDerWaalsContact CE2-CD1 3.45Å; W150-L154 HydrophobicContact CE3-CD1 4.44Å; W150-L154 HydrophobicContact CH2-CD1 3.66Å; W150-L154 HydrophobicContact CZ2-CD1 3.23Å; W150-L154 HydrophobicContact CZ2-CG 4.37Å; W150-L154 HydrophobicContact CZ3-CD1 4.23Å; W150-L154 PolarHBondContact O-N 3.15Å; Q151-L154 PolarHBondContact O-N 2.89Å; K152-L154 VanDerWaalsContact C-N 3.33Å; K152-L154 PolarHBondContact O-N 2.69Å; L154-C156 PolarHBondContact O-N 2.74Å; L154-H455 HydrophobicContact CD2-CB 4.13Å; L154-H455 PolarHBondContact O-CD2 3.13Å
155	S	96.6	Very high	96.4	Very high	91 Å²	91	61.9 Å²	61.9	64%	0.636	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	43.6	-172.5	-58.3	0	0	0	0	112.4	Q151 K152 T153	Q151-S155 PolarHBondContact O-N 3.04Å; Q151-S155 VanDerWaalsContact O-N 3.1Å; K152-S155 PolarHBondContact O-N 3.13Å; K152-S155 VanDerWaalsContact O-N 3.11Å; T153-S155 VanDerWaalsContact C-N 3.26Å; T153-S155 PolarHBondContact O-N 2.97Å
156	C	97.6	Very high	96.5	Very high	16 Å²	16	60.6 Å²	60.6	11%	0.108	33%	0.33	C	S	.	.			trans	-58.5	136.3	-178.5	-66.3	0	0	0	0	111.4	Q151 L154 T158 C459	Q151-C156 HydrophobicContact CB-CB 4.08Å; Q151-C156 HydrophobicContact CG-CB 4.25Å; Q151-C156 PolarHBondContact O-N 2.96Å; L154-C156 PolarHBondContact O-N 2.74Å; C156-T158 PolarHBondContact O-N 2.99Å; C156-C459 WeakPolarHBondContact CA-SG 3.49Å; C156-C459 HydrophobicContact CB-CB 3.59Å; C156-C459 WeakPolarHBondContact CB-SG 3.36Å; C156-C459 WeakPolarHBondContact SG-CB 3.39Å; C156-C459 CovalentContact SG-SG 2.03Å; C156-C459 PolarHBondContact SG-SG 2.59Å
157	P	95.6	Very high	96.6	Very high	27 Å²	27	57.8 Å²	57.8	18%	0.175	32%	0.315	C	S	.	.			trans	-58.1	138.8	176.5	-25.8	36.5	0	0	0	111.4	K159 E160 Q463	P157-K159 PolarHBondContact O-N 2.94Å; P157-E160 WeakPolarHBondContact CB-OE1 3.07Å; P157-E160 WeakPolarHBondContact CG-OE1 3.4Å; P157-Q463 PolarHBondContact O-NE2 2.76Å
158	T	93.3	Very high	96.6	Very high	138 Å²	138	60.3 Å²	60.3	85%	0.847	34%	0.338	S	S	*	.	S	Bend	trans	-78.2	-12.4	177.7	55.1	0	0	0	0	113.3	C156	C156-T158 PolarHBondContact O-N 2.99Å
159	K	93.1	Very high	96.6	Very high	172 Å²	172	53.6 Å²	53.6	75%	0.748	31%	0.307	S	S	*	.			trans	-138.1	130.5	179.9	-64.9	-177.2	-178.8	179.3	0	109.6	P157	P157-K159 PolarHBondContact O-N 2.94Å
160	E	96.1	Very high	96.6	Very high	32 Å²	32	52.1 Å²	52.1	15%	0.15	30%	0.295	C	S	.	.			trans	-125.2	99.5	171.2	-73.4	-63.5	167.6	0	0	109.2	P157 Q162 I163 A164 R456 Y460	P157-E160 WeakPolarHBondContact CB-OE1 3.07Å; P157-E160 WeakPolarHBondContact CG-OE1 3.4Å; E160-Q162 PolarHBondContact O-N 2.95Å; E160-I163 HydrophobicContact CB-CB 3.96Å; E160-I163 HydrophobicContact CB-CD1 3.64Å; E160-I163 HydrophobicContact CB-CG1 3.72Å; E160-I163 HydrophobicContact CG-CD1 3.94Å; E160-I163 HydrophobicContact CG-CG1 4.49Å; E160-I163 PolarHBondContact O-N 3.36Å; E160-A164 PolarHBondContact O-N 3.16Å; E160-R456 IonicContact OE1-NH2 3.72Å; E160-Y460 HydrophobicContact CG-CD2 4.31Å
161	P	96.6	Very high	96.4	Very high	83 Å²	83	56.4 Å²	56.4	54%	0.539	32%	0.323	S	S	.	.	H	α-helix	trans	-57.5	-34.3	-175.9	-27.8	35.9	0	0	0	114.1	A164 K165 M405	P161-A164 PolarHBondContact O-N 2.89Å; P161-K165 WeakPolarHBondContact O-CB 3.44Å; P161-K165 PolarHBondContact O-N 3.13Å; P161-M405 HydrophobicContact CB-SD 3.75Å
162	Q	97.8	Very high	96.3	Very high	7 Å²	7	57.9 Å²	57.9	3%	0.033	34%	0.338	C	S	.	.	H	α-helix	trans	-65	-49.7	175.9	-174	69.4	59.6	0	0	111.7	E160 A164 K165 D166 Y400 H402 M405 Y460	E160-Q162 PolarHBondContact O-N 2.95Å; Q162-A164 VanDerWaalsContact C-N 3.29Å; Q162-A164 PolarHBondContact O-N 2.97Å; Q162-K165 WeakPolarHBondContact O-CB 3.47Å; Q162-K165 PolarHBondContact O-N 3.46Å; Q162-K165 VanDerWaalsContact O-N 3.1Å; Q162-D166 PolarHBondContact NE2-OD1 2.69Å; Q162-D166 PolarHBondContact O-N 3.33Å; Q162-Y400 VanDerWaalsContact NE2-CE2 3.32Å; Q162-H402 WeakPolarHBondContact CB-O 3.41Å; Q162-H402 WeakPolarHBondContact CG-O 3.26Å; Q162-M405 HydrophobicContact CB-CE 4.03Å; Q162-M405 HydrophobicContact CG-CE 4.4Å; Q162-M405 VanDerWaalsContact OE1-CE 3.24Å; Q162-Y460 HydrophobicContact CB-CE2 4.37Å; Q162-Y460 VanDerWaalsContact CG-OH 3.29Å; Q162-Y460 WeakPolarHBondContact CG-OH 3.21Å
163	I	98.3	Very high	96.3	Very high	10 Å²	10	49.7 Å²	49.7	5%	0.051	30%	0.302	C	S	.	.	H	α-helix	trans	-57.3	-46.1	176.3	-58.2	-177.2	0	0	0	110.1	E160 K165 D166 F167 Y460 Q463 V464 K467	E160-I163 HydrophobicContact CB-CB 3.96Å; E160-I163 HydrophobicContact CB-CD1 3.64Å; E160-I163 HydrophobicContact CB-CG1 3.72Å; E160-I163 HydrophobicContact CG-CD1 3.94Å; E160-I163 HydrophobicContact CG-CG1 4.49Å; E160-I163 PolarHBondContact O-N 3.36Å; I163-K165 VanDerWaalsContact C-N 3.31Å; I163-K165 PolarHBondContact O-N 2.88Å; I163-D166 PolarHBondContact O-N 3.2Å; I163-F167 HydrophobicContact CG2-CD2 3.71Å; I163-F167 HydrophobicContact CG2-CE2 3.92Å; I163-F167 WeakPolarHBondContact O-CD2 3.26Å; I163-F167 PolarHBondContact O-N 2.81Å; I163-F167 VanDerWaalsContact O-N 3.07Å; I163-Y460 HydrophobicContact CD1-CD1 4.39Å; I163-Y460 HydrophobicContact CD1-CD2 4Å; I163-Y460 HydrophobicContact CD1-CE1 4.32Å; I163-Y460 HydrophobicContact CD1-CE2 3.93Å; I163-Y460 HydrophobicContact CD1-CG 4.23Å; I163-Y460 HydrophobicContact CG1-CD2 4.2Å; I163-Y460 HydrophobicContact CG1-CE1 4.14Å; I163-Y460 HydrophobicContact CG1-CE2 3.6Å; I163-Q463 HydrophobicContact CD1-CB 3.6Å; I163-V464 HydrophobicContact CD1-CG2 3.64Å; I163-V464 HydrophobicContact CG1-CG2 3.73Å; I163-V464 HydrophobicContact CG2-CG2 4.4Å; I163-K467 HydrophobicContact CG2-CB 4.19Å; I163-K467 HydrophobicContact CG2-CG 4.31Å
164	A	97.7	Very high	96.3	Very high	65 Å²	65	51.8 Å²	51.8	54%	0.537	31%	0.312	S	S	.	.	H	α-helix	trans	-60.1	-40.1	178.2	0	0	0	0	0	112.7	E160 P161 Q162 A168	E160-A164 PolarHBondContact O-N 3.16Å; P161-A164 PolarHBondContact O-N 2.89Å; Q162-A164 VanDerWaalsContact C-N 3.29Å; Q162-A164 PolarHBondContact O-N 2.97Å; A164-A168 PolarHBondContact O-N 3.42Å; A164-A168 VanDerWaalsContact O-N 3.17Å
165	K	97.4	Very high	96.3	Very high	105 Å²	105	51.6 Å²	51.6	46%	0.457	31%	0.311	S	S	.	.	H	α-helix	trans	-67.8	-44.4	178	-175.5	-177.5	178	-174.8	0	112.1	P161 Q162 I163 A168 M405	P161-K165 WeakPolarHBondContact O-CB 3.44Å; P161-K165 PolarHBondContact O-N 3.13Å; Q162-K165 WeakPolarHBondContact O-CB 3.47Å; Q162-K165 PolarHBondContact O-N 3.46Å; Q162-K165 VanDerWaalsContact O-N 3.1Å; I163-K165 VanDerWaalsContact C-N 3.31Å; I163-K165 PolarHBondContact O-N 2.88Å; K165-A168 VanDerWaalsContact O-CB 3.31Å; K165-A168 WeakPolarHBondContact O-CB 3.28Å; K165-A168 PolarHBondContact O-N 2.77Å; K165-M405 HydrophobicContact CB-CE 3.87Å; K165-M405 HydrophobicContact CD-CE 3.3Å; K165-M405 HydrophobicContact CD-SD 4.43Å; K165-M405 HydrophobicContact CG-CE 4.23Å
166	D	97.8	Very high	96.2	Very high	7 Å²	7	52.2 Å²	52.2	4%	0.037	30%	0.304	C	S	.	.	H	α-helix	trans	-64.2	-47.1	-178	-67.4	-1.5	0	0	0	110.4	Q162 I163 A168 F170 V271 V272	Q162-D166 PolarHBondContact NE2-OD1 2.69Å; Q162-D166 PolarHBondContact O-N 3.33Å; I163-D166 PolarHBondContact O-N 3.2Å; D166-A168 VanDerWaalsContact C-N 3.27Å; D166-A168 PolarHBondContact O-N 2.96Å; D166-F170 WeakPolarHBondContact O-CD2 3.28Å; D166-V271 HydrophobicContact CB-CB 4.45Å; D166-V271 HydrophobicContact CB-CG1 4.34Å; D166-V271 HydrophobicContact CB-CG2 4.31Å; D166-V272 PolarHBondContact OD2-N 2.93Å
167	F	97.8	Very high	96.1	Very high	3 Å²	3	53.4 Å²	53.4	1%	0.013	31%	0.308	C	S	.	.	H	α-helix	trans	-75.5	-7.7	178.8	-76.8	-79.9	0	0	0	114.7	I163 S169 F170 I173 V271 V464 K467 Y468 R471	I163-F167 HydrophobicContact CG2-CD2 3.71Å; I163-F167 HydrophobicContact CG2-CE2 3.92Å; I163-F167 WeakPolarHBondContact O-CD2 3.26Å; I163-F167 PolarHBondContact O-N 2.81Å; I163-F167 VanDerWaalsContact O-N 3.07Å; F167-S169 PolarHBondContact O-N 2.76Å; F167-F170 CarbonylContact O-C 3.5Å; F167-F170 PolarHBondContact O-N 2.99Å; F167-I173 HydrophobicContact CE1-CD1 4.27Å; F167-V271 HydrophobicContact CD2-CG1 4.45Å; F167-V271 HydrophobicContact CE1-CG2 4.34Å; F167-V271 HydrophobicContact CE2-CG1 3.7Å; F167-V271 HydrophobicContact CE2-CG2 4.4Å; F167-V271 HydrophobicContact CZ-CG1 3.93Å; F167-V271 HydrophobicContact CZ-CG2 4.21Å; F167-V464 HydrophobicContact CE2-CG1 4.27Å; F167-V464 HydrophobicContact CZ-CG1 4.38Å; F167-K467 HydrophobicContact CB-CG 4.16Å; F167-K467 HydrophobicContact CD1-CG 4.12Å; F167-K467 HydrophobicContact CD2-CB 3.96Å; F167-K467 HydrophobicContact CD2-CG 3.61Å; F167-K467 HydrophobicContact CE1-CB 4.5Å; F167-K467 HydrophobicContact CE1-CG 4.43Å; F167-K467 HydrophobicContact CE2-CB 3.77Å; F167-K467 HydrophobicContact CE2-CG 3.95Å; F167-K467 HydrophobicContact CG-CB 4.4Å; F167-K467 HydrophobicContact CG-CG 3.69Å; F167-K467 HydrophobicContact CZ-CB 4.05Å; F167-K467 HydrophobicContact CZ-CG 4.34Å; F167-Y468 AromaticContact CE1-CD2 3.83Å; F167-Y468 HydrophobicContact CE1-CD2 3.83Å; F167-Y468 HydrophobicContact CE1-CG 4.18Å; F167-Y468 AromaticContact CZ-CD2 3.8Å; F167-Y468 HydrophobicContact CZ-CD2 3.8Å; F167-Y468 HydrophobicContact CZ-CG 4.24Å; F167-R471 HydrophobicContact CD1-CG 4.38Å
168	A	96.4	Very high	96.1	Very high	74 Å²	74	52.2 Å²	52.2	61%	0.612	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	-26.8	175.4	0	0	0	0	0	112.3	A164 K165 D166 F170	A164-A168 PolarHBondContact O-N 3.42Å; A164-A168 VanDerWaalsContact O-N 3.17Å; K165-A168 VanDerWaalsContact O-CB 3.31Å; K165-A168 WeakPolarHBondContact O-CB 3.28Å; K165-A168 PolarHBondContact O-N 2.77Å; D166-A168 VanDerWaalsContact C-N 3.27Å; D166-A168 PolarHBondContact O-N 2.96Å; A168-F170 VanDerWaalsContact C-N 3.3Å
169	S	95	Very high	96.1	Very high	12 Å²	12	47 Å²	47	8%	0.084	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-9.8	177.4	-52.4	0	0	0	0	113.3	F167 R269	F167-S169 PolarHBondContact O-N 2.76Å; S169-R269 WeakPolarHBondContact OG-CD 3.49Å
170	F	96.1	Very high	96.2	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.018	25%	0.252	C	S	.	.			trans	-131.4	69.4	-170.6	-48.8	-67.2	0	0	0	111	D166 F167 A168 S172 I173 P256 I257 P258 R269 V271	D166-F170 WeakPolarHBondContact O-CD2 3.28Å; F167-F170 CarbonylContact O-C 3.5Å; F167-F170 PolarHBondContact O-N 2.99Å; A168-F170 VanDerWaalsContact C-N 3.3Å; F170-S172 PolarHBondContact O-N 3.29Å; F170-I173 HydrophobicContact CB-CG1 4.33Å; F170-P256 HydrophobicContact CE1-CB 3.87Å; F170-P256 HydrophobicContact CE1-CG 3.98Å; F170-P256 HydrophobicContact CZ-CB 4.43Å; F170-I257 VanDerWaalsContact CE1-C 3.49Å; F170-P258 HydrophobicContact CD1-CB 3.92Å; F170-P258 HydrophobicContact CD1-CG 4.15Å; F170-P258 HydrophobicContact CD2-CB 3.8Å; F170-P258 HydrophobicContact CE1-CB 3.97Å; F170-P258 HydrophobicContact CE1-CG 4.44Å; F170-P258 HydrophobicContact CE2-CB 3.85Å; F170-P258 HydrophobicContact CG-CB 3.83Å; F170-P258 HydrophobicContact CG-CG 4.28Å; F170-P258 HydrophobicContact CZ-CB 3.92Å; F170-R269 HydrophobicContact CE2-CB 4.43Å; F170-R269 WeakPolarHBondContact CE2-O 3.41Å; F170-R269 HydrophobicContact CZ-CB 3.79Å; F170-R269 WeakPolarHBondContact CZ-O 3.49Å; F170-V271 HydrophobicContact CD2-CG2 4.32Å; F170-V271 HydrophobicContact CE2-CG2 4.1Å
171	P	94.4	Very high	96.2	Very high	93 Å²	93	43 Å²	43	60%	0.604	25%	0.254	S	S	*	.	S	Bend	trans	-62.9	-25.8	177.7	27	-34.8	0	0	0	112.4	R471	P171-R471 VanDerWaalsContact O-CD 3.23Å; P171-R471 WeakPolarHBondContact O-CD 3.41Å; P171-R471 PolarHBondContact O-NH1 3.37Å
172	S	95.3	Very high	96.2	Very high	70 Å²	70	39 Å²	39	49%	0.49	23%	0.228	S	C	.	.	S	Bend	trans	-145.8	150.1	170.4	-176.2	0	0	0	0	109.7	F170 R471	F170-S172 PolarHBondContact O-N 3.29Å; S172-R471 CarbonylContact C-O 3.57Å; S172-R471 WeakPolarHBondContact CA-O 3.34Å
173	I	96.9	Very high	96	Very high	2 Å²	2	40 Å²	40	1%	0.01	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-117.9	122.3	-179.4	-55.7	179.8	0	0	0	107.9	F167 F170 L175 M178 P258 Y468 R471 S473	F167-I173 HydrophobicContact CE1-CD1 4.27Å; F170-I173 HydrophobicContact CB-CG1 4.33Å; I173-L175 HydrophobicContact CG2-CD2 4.27Å; I173-M178 HydrophobicContact CG2-SD 3.56Å; I173-M178 VanDerWaalsContact CG2-SD 3.56Å; I173-P258 HydrophobicContact CB-CG 4.35Å; I173-P258 HydrophobicContact CD1-CB 4.36Å; I173-P258 HydrophobicContact CD1-CG 3.72Å; I173-P258 HydrophobicContact CG1-CG 3.81Å; I173-P258 HydrophobicContact CG2-CG 3.72Å; I173-Y468 HydrophobicContact CD1-CD1 3.69Å; I173-Y468 HydrophobicContact CD1-CD2 4.15Å; I173-Y468 HydrophobicContact CD1-CE1 3.67Å; I173-Y468 HydrophobicContact CD1-CE2 4.14Å; I173-Y468 HydrophobicContact CD1-CG 3.94Å; I173-Y468 HydrophobicContact CG2-CE1 4.11Å; I173-R471 HydrophobicContact CD1-CB 3.73Å; I173-R471 HydrophobicContact CG1-CB 3.73Å; I173-R471 PolarHBondContact N-O 3.17Å; I173-S473 PolarHBondContact O-N 3.3Å; I173-S473 PolarHBondContact O-OG 3.39Å
174	N	95.5	Very high	95.8	Very high	70 Å²	70	46.8 Å²	46.8	37%	0.374	26%	0.264	S	S	.	.			trans	-101.5	103.8	178.3	-178.3	-27.9	0	0	0	109.5	Q176 Q177 M178	N174-Q176 VanDerWaalsContact C-N 3.28Å; N174-Q176 PolarHBondContact O-N 3.28Å; N174-Q176 WeakPolarHBondContact OD1-CB 3.47Å; N174-Q176 PolarHBondContact OD1-N 3.03Å; N174-Q177 HydrophobicContact CB-CB 3.94Å; N174-Q177 WeakPolarHBondContact O-CB 3.49Å; N174-Q177 PolarHBondContact O-N 2.86Å; N174-Q177 VanDerWaalsContact O-N 3.17Å; N174-Q177 PolarHBondContact OD1-N 3.48Å; N174-M178 WeakPolarHBondContact O-CG 3.49Å; N174-M178 PolarHBondContact O-N 3.3Å; N174-M178 VanDerWaalsContact O-N 3.09Å
175	L	96.4	Very high	95.6	Very high	2 Å²	2	47.4 Å²	47.4	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-34.6	-176.6	-57.8	177.7	0	0	0	111.9	I173 Q177 M178 L179 E235 Q472 S474 P476	I173-L175 HydrophobicContact CG2-CD2 4.27Å; L175-Q177 VanDerWaalsContact C-N 3.33Å; L175-Q177 PolarHBondContact O-N 3.27Å; L175-M178 HydrophobicContact CD2-SD 4.49Å; L175-M178 PolarHBondContact O-N 3.29Å; L175-L179 WeakPolarHBondContact O-CB 3.19Å; L175-L179 VanDerWaalsContact O-CG 3.27Å; L175-L179 WeakPolarHBondContact O-CG 3.44Å; L175-L179 PolarHBondContact O-N 3.27Å; L175-E235 HydrophobicContact CD1-CB 3.96Å; L175-E235 HydrophobicContact CD2-CB 4.04Å; L175-E235 HydrophobicContact CD2-CG 4.43Å; L175-E235 WeakPolarHBondContact CD2-O 3.08Å; L175-Q472 HydrophobicContact CD2-CG 4.21Å; L175-S474 VanDerWaalsContact CB-OG 3.31Å; L175-S474 WeakPolarHBondContact CB-OG 3.47Å; L175-S474 WeakPolarHBondContact CD1-O 3.18Å; L175-S474 WeakPolarHBondContact CD1-OG 3.27Å; L175-S474 WeakPolarHBondContact CG-OG 3.49Å; L175-P476 HydrophobicContact CD1-CB 4.46Å
176	Q	95	Very high	95.4	Very high	104 Å²	104	43.8 Å²	43.8	49%	0.486	24%	0.237	S	C	.	.	H	α-helix	trans	-64.8	-38.3	177	-168.6	61.6	52.8	0	0	112.1	N174 N180	N174-Q176 VanDerWaalsContact C-N 3.28Å; N174-Q176 PolarHBondContact O-N 3.28Å; N174-Q176 WeakPolarHBondContact OD1-CB 3.47Å; N174-Q176 PolarHBondContact OD1-N 3.03Å; Q176-N180 PolarHBondContact NE2-OD1 3.29Å; Q176-N180 WeakPolarHBondContact O-CB 3.14Å; Q176-N180 VanDerWaalsContact O-CG 3.22Å; Q176-N180 PolarHBondContact O-N 3.06Å; Q176-N180 PolarHBondContact O-ND2 2.93Å
177	Q	94.8	Very high	94.9	Very high	41 Å²	41	43.9 Å²	43.9	19%	0.192	24%	0.24	C	C	.	.	H	α-helix	trans	-62.8	-46.5	172.8	-175.3	-175.6	4.5	0	0	110.5	N174 L175 N180 E181 I257	N174-Q177 HydrophobicContact CB-CB 3.94Å; N174-Q177 WeakPolarHBondContact O-CB 3.49Å; N174-Q177 PolarHBondContact O-N 2.86Å; N174-Q177 VanDerWaalsContact O-N 3.17Å; N174-Q177 PolarHBondContact OD1-N 3.48Å; L175-Q177 VanDerWaalsContact C-N 3.33Å; L175-Q177 PolarHBondContact O-N 3.27Å; Q177-N180 PolarHBondContact O-N 3.07Å; Q177-E181 HydrophobicContact CG-CG 4.31Å; Q177-E181 VanDerWaalsContact CG-OE1 3.23Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.48Å; Q177-E181 PolarHBondContact NE2-OE1 2.89Å; Q177-E181 WeakPolarHBondContact O-CB 3.1Å; Q177-E181 PolarHBondContact O-N 3.36Å; Q177-I257 HydrophobicContact CG-CG2 4.23Å
178	M	95.8	Very high	94.2	Very high	2 Å²	2	48.8 Å²	48.8	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-46.4	179.1	-64.9	-169.2	76.4	0	0	112.3	I173 N174 L175 N180 E181 V182 Y237 I257 P258 I259 Y468	I173-M178 HydrophobicContact CG2-SD 3.56Å; I173-M178 VanDerWaalsContact CG2-SD 3.56Å; N174-M178 WeakPolarHBondContact O-CG 3.49Å; N174-M178 PolarHBondContact O-N 3.3Å; N174-M178 VanDerWaalsContact O-N 3.09Å; L175-M178 HydrophobicContact CD2-SD 4.49Å; L175-M178 PolarHBondContact O-N 3.29Å; M178-N180 PolarHBondContact O-N 3.35Å; M178-E181 PolarHBondContact O-N 3.1Å; M178-V182 HydrophobicContact CB-CG2 4.24Å; M178-V182 HydrophobicContact CE-CG2 4.29Å; M178-V182 WeakPolarHBondContact O-CB 3.23Å; M178-V182 WeakPolarHBondContact O-CG2 3.36Å; M178-V182 PolarHBondContact O-N 2.81Å; M178-Y237 HydrophobicContact CB-CD2 4.33Å; M178-Y237 HydrophobicContact CB-CE2 3.78Å; M178-Y237 HydrophobicContact CE-CD2 3.48Å; M178-Y237 VanDerWaalsContact CE-CD2 3.48Å; M178-Y237 HydrophobicContact CE-CE2 4.1Å; M178-Y237 HydrophobicContact CE-CG 4.42Å; M178-I257 HydrophobicContact CG-CB 4.36Å; M178-I257 HydrophobicContact CG-CG2 4.42Å; M178-P258 HydrophobicContact CE-CG 4.16Å; M178-P258 WeakPolarHBondContact CE-O 3.43Å; M178-P258 HydrophobicContact SD-CG 4.01Å; M178-I259 HydrophobicContact CE-CD1 4.3Å; M178-Y468 WeakPolarHBondContact CE-OH 3.35Å; M178-Y468 PolarHBondContact SD-OH 3.39Å; M178-Y468 VanDerWaalsContact SD-OH 3.37Å
179	L	95.3	Very high	92.8	Very high	28 Å²	28	53.7 Å²	53.7	15%	0.147	28%	0.276	C	S	.	.	H	α-helix	trans	-54.7	-38.9	175.8	-77.5	165.7	0	0	0	112.9	L175 P183 E235 Y237 R479	L175-L179 WeakPolarHBondContact O-CB 3.19Å; L175-L179 VanDerWaalsContact O-CG 3.27Å; L175-L179 WeakPolarHBondContact O-CG 3.44Å; L175-L179 PolarHBondContact O-N 3.27Å; L179-P183 VanDerWaalsContact O-CD 3.25Å; L179-P183 WeakPolarHBondContact O-CD 3.28Å; L179-P183 WeakPolarHBondContact O-CG 3.01Å; L179-E235 WeakPolarHBondContact CD2-OE1 3.14Å; L179-Y237 WeakPolarHBondContact CA-OH 3.22Å; L179-R479 HydrophobicContact CD2-CG 4.04Å
180	N	94.4	Very high	91.8	Very high	84 Å²	84	63.5 Å²	63.5	45%	0.449	31%	0.311	S	S	.	.	H	α-helix	trans	-80.9	-37	-178.3	-71.6	-21.5	0	0	0	112.8	Q176 Q177 M178 K184	Q176-N180 PolarHBondContact NE2-OD1 3.29Å; Q176-N180 WeakPolarHBondContact O-CB 3.14Å; Q176-N180 VanDerWaalsContact O-CG 3.22Å; Q176-N180 PolarHBondContact O-N 3.06Å; Q176-N180 PolarHBondContact O-ND2 2.93Å; Q177-N180 PolarHBondContact O-N 3.07Å; M178-N180 PolarHBondContact O-N 3.35Å; N180-K184 WeakPolarHBondContact O-CD 3.19Å
181	E	95.6	Very high	91.3	Very high	37 Å²	37	63.8 Å²	63.8	17%	0.173	32%	0.316	C	S	.	.	H	α-helix	trans	-94.9	-42.3	-171	-70.9	-161.7	-131	0	0	113.9	Q177 M178 K184 R185 R248 I257	Q177-E181 HydrophobicContact CG-CG 4.31Å; Q177-E181 VanDerWaalsContact CG-OE1 3.23Å; Q177-E181 WeakPolarHBondContact CG-OE1 3.48Å; Q177-E181 PolarHBondContact NE2-OE1 2.89Å; Q177-E181 WeakPolarHBondContact O-CB 3.1Å; Q177-E181 PolarHBondContact O-N 3.36Å; M178-E181 PolarHBondContact O-N 3.1Å; E181-K184 PolarHBondContact O-N 3.08Å; E181-R185 WeakPolarHBondContact O-CB 2.95Å; E181-R185 VanDerWaalsContact O-CG 3.31Å; E181-R185 WeakPolarHBondContact O-CG 3.04Å; E181-R185 PolarHBondContact O-N 2.72Å; E181-R185 IonicContact OE2-NH1 2.69Å; E181-R248 IonicContact OE1-NH1 3.22Å; E181-R248 IonicContact OE2-CZ 3.2Å; E181-R248 IonicContact OE2-NH1 3.08Å; E181-R248 PolarHBondContact OE2-NH1 2.97Å; E181-R248 IonicContact OE2-NH2 2.77Å; E181-R248 PolarHBondContact OE2-NH2 2.96Å; E181-I257 HydrophobicContact CB-CD1 4.02Å
182	V	96.1	Very high	91.3	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.1	-49.3	-172.7	176.7	0	0	0	0	112.4	M178 K184 R185 F186 G187 I193 Y237 I257 I259	M178-V182 HydrophobicContact CB-CG2 4.24Å; M178-V182 HydrophobicContact CE-CG2 4.29Å; M178-V182 WeakPolarHBondContact O-CB 3.23Å; M178-V182 WeakPolarHBondContact O-CG2 3.36Å; M178-V182 PolarHBondContact O-N 2.81Å; V182-K184 VanDerWaalsContact C-N 3.32Å; V182-K184 PolarHBondContact O-N 2.89Å; V182-R185 PolarHBondContact O-N 2.91Å; V182-F186 HydrophobicContact CG1-CB 4.5Å; V182-F186 HydrophobicContact CG1-CD2 4.18Å; V182-F186 PolarHBondContact O-N 3.01Å; V182-G187 PolarHBondContact O-N 3.48Å; V182-I193 HydrophobicContact CG1-CG2 3.98Å; V182-Y237 HydrophobicContact CB-CD1 3.96Å; V182-Y237 HydrophobicContact CB-CD2 4.38Å; V182-Y237 HydrophobicContact CB-CE1 3.78Å; V182-Y237 HydrophobicContact CB-CE2 4.25Å; V182-Y237 HydrophobicContact CB-CG 4.21Å; V182-Y237 HydrophobicContact CG1-CD1 3.31Å; V182-Y237 HydrophobicContact CG1-CD2 4.37Å; V182-Y237 HydrophobicContact CG1-CE1 3.55Å; V182-Y237 HydrophobicContact CG1-CG 3.72Å; V182-Y237 HydrophobicContact CG2-CD1 4.39Å; V182-Y237 HydrophobicContact CG2-CD2 4Å; V182-Y237 HydrophobicContact CG2-CE1 4.42Å; V182-Y237 HydrophobicContact CG2-CE2 4.07Å; V182-Y237 HydrophobicContact CG2-CG 4.13Å; V182-I257 HydrophobicContact CG2-CD1 3.46Å; V182-I257 VanDerWaalsContact CG2-CD1 3.46Å; V182-I257 HydrophobicContact CG2-CG1 4.47Å; V182-I259 HydrophobicContact CG1-CD1 4.21Å; V182-I259 HydrophobicContact CG2-CD1 3.68Å
183	P	94.1	Very high	91.4	Very high	27 Å²	27	56.9 Å²	56.9	18%	0.175	27%	0.27	C	S	.	.	I	π-helix	trans	-57.8	-44.9	179.6	-24.5	35.3	0	0	0	112.2	L179 G187 D188 L208	L179-P183 VanDerWaalsContact O-CD 3.25Å; L179-P183 WeakPolarHBondContact O-CD 3.28Å; L179-P183 WeakPolarHBondContact O-CG 3.01Å; P183-G187 CarbonylContact O-C 3.13Å; P183-G187 WeakPolarHBondContact O-CA 3.42Å; P183-G187 PolarHBondContact O-N 3.16Å; P183-D188 PolarHBondContact O-N 2.95Å; P183-L208 HydrophobicContact CB-CD1 4.3Å; P183-L208 HydrophobicContact CG-CD1 4.01Å
184	K	93.7	Very high	91.4	Very high	153 Å²	153	56.8 Å²	56.8	67%	0.665	27%	0.27	S	S	*	.	I	π-helix	trans	-69.8	-34.5	-178.5	-60.7	-179.6	-174.9	175	0	113.4	N180 E181 V182	N180-K184 WeakPolarHBondContact O-CD 3.19Å; E181-K184 PolarHBondContact O-N 3.08Å; V182-K184 VanDerWaalsContact C-N 3.32Å; V182-K184 PolarHBondContact O-N 2.89Å
185	R	94	Very high	91.6	Very high	77 Å²	77	53.4 Å²	53.4	29%	0.291	25%	0.252	S	S	.	.	I	π-helix	trans	-85.3	-36.5	-176.7	-71.4	177.1	66.1	-161.9	-1.1	112.5	E181 V182 E246 R248	E181-R185 WeakPolarHBondContact O-CB 2.95Å; E181-R185 VanDerWaalsContact O-CG 3.31Å; E181-R185 WeakPolarHBondContact O-CG 3.04Å; E181-R185 PolarHBondContact O-N 2.72Å; E181-R185 IonicContact OE2-NH1 2.69Å; V182-R185 PolarHBondContact O-N 2.91Å; R185-E246 IonicContact CZ-OE1 3.54Å; R185-E246 IonicContact CZ-OE2 2.66Å; R185-E246 IonicContact NH1-OE1 3.38Å; R185-E246 IonicContact NH1-OE2 3.85Å; R185-E246 PolarHBondContact NH1-OE2 3.17Å; R185-E246 IonicContact NH2-OE1 2.86Å; R185-E246 PolarHBondContact NH2-OE1 3.44Å; R185-E246 IonicContact NH2-OE2 3.49Å; R185-E246 PolarHBondContact NH2-OE2 2.97Å; R185-R248 VanDerWaalsContact NH1-NH1 3.1Å
186	F	93.9	Very high	91.7	Very high	29 Å²	29	53.3 Å²	53.3	13%	0.127	25%	0.251	C	S	.	.	I	π-helix	trans	-132.8	-11.7	-164.1	-52.7	-50.9	0	0	0	113.7	V182 G191 I193 L245 I257 I259	V182-F186 HydrophobicContact CG1-CB 4.5Å; V182-F186 HydrophobicContact CG1-CD2 4.18Å; V182-F186 PolarHBondContact O-N 3.01Å; F186-G191 WeakPolarHBondContact O-CA 3.42Å; F186-I193 HydrophobicContact CB-CD1 4.12Å; F186-I193 HydrophobicContact CB-CG1 3.71Å; F186-I193 WeakPolarHBondContact O-CG1 3.47Å; F186-L245 HydrophobicContact CB-CD1 4.11Å; F186-L245 HydrophobicContact CD1-CB 4.06Å; F186-L245 HydrophobicContact CD1-CD1 4.05Å; F186-L245 HydrophobicContact CD1-CD2 4.47Å; F186-L245 HydrophobicContact CD1-CG 4.44Å; F186-L245 HydrophobicContact CD2-CD1 4.48Å; F186-L245 HydrophobicContact CE1-CB 3.77Å; F186-L245 HydrophobicContact CE2-CB 4.44Å; F186-L245 HydrophobicContact CG-CD1 3.98Å; F186-L245 HydrophobicContact CZ-CB 3.96Å; F186-I257 HydrophobicContact CE2-CD1 4.15Å; F186-I257 HydrophobicContact CE2-CG1 4.5Å; F186-I259 HydrophobicContact CD2-CD1 4.28Å; F186-I259 HydrophobicContact CD2-CG1 4.34Å; F186-I259 HydrophobicContact CE2-CD1 4.29Å; F186-I259 HydrophobicContact CE2-CG1 4.04Å
187	G	87.2	Confident	91.9	Very high	10 Å²	10	48.4 Å²	48.4	10%	0.103	23%	0.228	C	C	.	.	I	π-helix	trans	-105	-10.7	-174.6	0	0	0	0	0	116	V182 P183 L208 G209	V182-G187 PolarHBondContact O-N 3.48Å; P183-G187 CarbonylContact O-C 3.13Å; P183-G187 WeakPolarHBondContact O-CA 3.42Å; P183-G187 PolarHBondContact O-N 3.16Å; G187-L208 CarbonylContact O-C 3.38Å; G187-G209 WeakPolarHBondContact O-CA 3.38Å; G187-G209 PolarHBondContact O-N 2.75Å
188	D	82.1	Confident	92	Very high	106 Å²	106	46.4 Å²	46.4	57%	0.567	22%	0.219	S	C	*	.	S	Bend	trans	-64.2	178.9	177.8	-71.4	-11	0	0	0	112.1	P183 R190 G191	P183-D188 PolarHBondContact O-N 2.95Å; D188-R190 PolarHBondContact O-N 3.1Å; D188-G191 PolarHBondContact O-N 3.27Å
189	E	68.1	Low	92.2	Very high	177 Å²	177	48.4 Å²	48.4	83%	0.827	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-38.9	-21.8	-159.7	-64.1	-174.8	172.5	0	0	120	K210	E189-K210 VanDerWaalsContact O-CB 3.31Å; E189-K210 WeakPolarHBondContact O-CB 3.37Å
190	R	74.3	Confident	92.2	Very high	217 Å²	217	52 Å²	52	82%	0.819	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-116	6	178.2	-61.1	-171.5	-179.3	-169.2	0.6	114.8	D188	D188-R190 PolarHBondContact O-N 3.1Å
191	G	84.6	Confident	92.4	Very high	11 Å²	11	49 Å²	49	11%	0.113	23%	0.233	C	C	.	.			trans	-63.6	155	178.9	0	0	0	0	0	113.3	F186 D188 G209 K210 Y211	F186-G191 WeakPolarHBondContact O-CA 3.42Å; D188-G191 PolarHBondContact O-N 3.27Å; G191-G209 CarbonylContact O-C 3.48Å; G191-G209 WeakPolarHBondContact O-CA 3.48Å; G191-K210 PolarHBondContact O-N 3.5Å; G191-Y211 PolarHBondContact O-N 3.21Å
192	A	94.4	Very high	92.5	Very high	16 Å²	16	52 Å²	52	13%	0.132	25%	0.247	C	C	.	.			trans	-134.2	54.3	177	0	0	0	0	0	108.6	Y211 L240	A192-Y211 WeakPolarHBondContact CB-O 3.2Å; A192-L240 HydrophobicContact CB-CB 4.22Å; A192-L240 WeakPolarHBondContact O-CB 3.06Å; A192-L240 PolarHBondContact O-N 3.14Å
193	I	96.9	Very high	92.6	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	144.9	-173.4	-63.3	-62.8	0	0	0	109.8	V182 F186 L208 Y237 V238 N239 L245	V182-I193 HydrophobicContact CG1-CG2 3.98Å; F186-I193 HydrophobicContact CB-CD1 4.12Å; F186-I193 HydrophobicContact CB-CG1 3.71Å; F186-I193 WeakPolarHBondContact O-CG1 3.47Å; I193-L208 HydrophobicContact CB-CB 4.21Å; I193-L208 HydrophobicContact CG2-CB 4.42Å; I193-L208 HydrophobicContact CG2-CD1 4.25Å; I193-L208 PolarHBondContact N-O 3.1Å; I193-L208 VanDerWaalsContact N-O 3.07Å; I193-L208 WeakPolarHBondContact O-CA 3.49Å; I193-L208 PolarHBondContact O-N 3.33Å; I193-Y237 HydrophobicContact CG2-CD1 3.72Å; I193-Y237 HydrophobicContact CG2-CG 4.5Å; I193-V238 WeakPolarHBondContact CA-O 3.26Å; I193-N239 HydrophobicContact CD1-CB 3.76Å; I193-L245 HydrophobicContact CD1-CD1 3.41Å; I193-L245 VanDerWaalsContact CD1-CD1 3.41Å; I193-L245 HydrophobicContact CG1-CD1 4.43Å
194	V	97.9	Very high	92.9	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	131	167.3	-173.9	0	0	0	0	109	Y196 R205 K215 Y237 V238 L240	V194-Y196 HydrophobicContact CB-CD2 4.1Å; V194-Y196 HydrophobicContact CB-CE2 3.52Å; V194-Y196 HydrophobicContact CG1-CD2 3.76Å; V194-Y196 HydrophobicContact CG1-CE1 4.22Å; V194-Y196 HydrophobicContact CG1-CE2 3.27Å; V194-Y196 HydrophobicContact CG1-CG 4.4Å; V194-Y196 HydrophobicContact CG2-CE2 4.5Å; V194-R205 HydrophobicContact CG1-CB 3.95Å; V194-K215 HydrophobicContact CG2-CB 3.82Å; V194-Y237 WeakPolarHBondContact O-CA 3.49Å; V194-V238 PolarHBondContact N-O 2.82Å; V194-V238 PolarHBondContact O-N 3.24Å; V194-L240 HydrophobicContact CG2-CD1 3.51Å; V194-L240 HydrophobicContact CG2-CG 4.14Å
195	H	98.4	Very high	93.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	121.1	173.1	-173.2	-157.9	0	0	0	108.8	R205 R206 L208 E235 F236 Y237 M482	H195-R205 CarbonylContact O-C 3.55Å; H195-R205 WeakPolarHBondContact O-CA 3.31Å; H195-R206 HydrophobicContact CB-CB 4.5Å; H195-R206 PolarHBondContact N-O 2.96Å; H195-R206 PolarHBondContact O-N 3.47Å; H195-L208 HydrophobicContact CB-CD1 4.26Å; H195-E235 IonicContact CE1-OE1 2.71Å; H195-E235 PolarHBondContact CE1-OE1 3.49Å; H195-E235 WeakPolarHBondContact NE2-CG 3.47Å; H195-E235 IonicContact NE2-OE1 3.84Å; H195-E235 PolarHBondContact NE2-OE1 3.02Å; H195-E235 VanDerWaalsContact NE2-OE1 3.09Å; H195-F236 PolarHBondContact CD2-O 3Å; H195-Y237 HydrophobicContact CB-CD1 3.77Å; H195-Y237 HydrophobicContact CB-CE1 3.5Å; H195-Y237 AromaticContact CD2-CD1 3.83Å; H195-Y237 AromaticContact CD2-CD2 3.85Å; H195-Y237 AromaticContact CD2-CE1 3.48Å; H195-Y237 VanDerWaalsContact CD2-CE1 3.48Å; H195-Y237 WeakPolarHBondContact CD2-CE1 3.48Å; H195-Y237 AromaticContact CD2-CE2 3.47Å; H195-Y237 VanDerWaalsContact CD2-CE2 3.47Å; H195-Y237 WeakPolarHBondContact CD2-CE2 3.04Å; H195-Y237 AromaticContact CD2-CZ 3.29Å; H195-Y237 AromaticContact CE1-CZ 3.84Å; H195-Y237 PolarHBondContact CE1-OH 3.25Å; H195-Y237 AromaticContact CG-CD1 3.95Å; H195-Y237 AromaticContact CG-CE1 3.39Å; H195-Y237 AromaticContact CG-CZ 3.54Å; H195-Y237 AromaticContact ND1-CZ 3.87Å; H195-Y237 AromaticContact NE2-CE2 3.55Å; H195-Y237 AromaticContact NE2-CZ 3.48Å; H195-M482 HydrophobicContact CB-CE 4.27Å; H195-M482 WeakPolarHBondContact CE1-CE 3.07Å; H195-M482 WeakPolarHBondContact ND1-CE 3.23Å
196	Y	98.8	Very high	93.3	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	144	179.4	-74.6	-86.4	0	0	0	111.1	V194 I203 Y204 R205 S218 D219 L222 E235 F236 V238	V194-Y196 HydrophobicContact CB-CD2 4.1Å; V194-Y196 HydrophobicContact CB-CE2 3.52Å; V194-Y196 HydrophobicContact CG1-CD2 3.76Å; V194-Y196 HydrophobicContact CG1-CE1 4.22Å; V194-Y196 HydrophobicContact CG1-CE2 3.27Å; V194-Y196 HydrophobicContact CG1-CG 4.4Å; V194-Y196 HydrophobicContact CG2-CE2 4.5Å; Y196-I203 HydrophobicContact CD1-CG2 3.87Å; Y196-I203 HydrophobicContact CE1-CG2 4.21Å; Y196-Y204 CarbonylContact C-O 3.5Å; Y196-Y204 WeakPolarHBondContact CA-O 3.23Å; Y196-R205 HydrophobicContact CD1-CB 3.62Å; Y196-R205 HydrophobicContact CE1-CB 3.64Å; Y196-R205 HydrophobicContact CE1-CG 4.39Å; Y196-R205 HydrophobicContact CG-CB 4.29Å; Y196-S218 PolarHBondContact OH-OG 3.1Å; Y196-S218 VanDerWaalsContact OH-OG 3.06Å; Y196-D219 WeakPolarHBondContact CE1-OD1 3.19Å; Y196-D219 PolarHBondContact OH-OD1 3.47Å; Y196-L222 HydrophobicContact CD1-CD1 3.85Å; Y196-L222 HydrophobicContact CE1-CD1 3.88Å; Y196-L222 HydrophobicContact CG-CD1 4.26Å; Y196-E235 CarbonylContact O-C 3.46Å; Y196-E235 VanDerWaalsContact O-CA 3.31Å; Y196-E235 WeakPolarHBondContact O-CA 3.4Å; Y196-F236 HydrophobicContact CD2-CE2 4.1Å; Y196-F236 HydrophobicContact CD2-CZ 4.41Å; Y196-F236 HydrophobicContact CG-CE2 4.22Å; Y196-F236 HydrophobicContact CG-CZ 4.08Å; Y196-F236 PolarHBondContact N-O 3.42Å; Y196-F236 PolarHBondContact O-N 3.25Å; Y196-V238 HydrophobicContact CD2-CB 4.34Å; Y196-V238 HydrophobicContact CD2-CG2 3.79Å; Y196-V238 HydrophobicContact CE2-CB 4.17Å; Y196-V238 HydrophobicContact CE2-CG2 3.93Å
197	T	98.8	Very high	93.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	126.6	163.1	-61.2	0	0	0	0	108.3	L199 Y204 L234 P476 E477 V478 M482	T197-L199 HydrophobicContact CG2-CB 4.2Å; T197-Y204 PolarHBondContact N-O 2.88Å; T197-Y204 PolarHBondContact O-N 3.26Å; T197-L234 CarbonylContact C-O 3.56Å; T197-L234 WeakPolarHBondContact CA-O 3.38Å; T197-P476 HydrophobicContact CG2-CB 4.4Å; T197-E477 PolarHBondContact OG1-O 2.7Å; T197-V478 HydrophobicContact CG2-CG2 4.49Å; T197-M482 VanDerWaalsContact OG1-CE 3.25Å; T197-M482 WeakPolarHBondContact OG1-CE 3.2Å; T197-M482 PolarHBondContact OG1-SD 2.98Å; T197-M482 VanDerWaalsContact OG1-SD 3.37Å
198	I	98.8	Very high	93.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	123.1	165	-64.3	165	0	0	0	106.7	H202 I203 L222 L231 D233 L234 F236	I198-H202 VanDerWaalsContact CA-O 3.26Å; I198-H202 WeakPolarHBondContact CA-O 3.35Å; I198-I203 HydrophobicContact CG1-CG1 4.05Å; I198-L222 HydrophobicContact CD1-CD2 4.19Å; I198-L231 HydrophobicContact CD1-CD1 3.74Å; I198-L231 HydrophobicContact CG2-CB 3.96Å; I198-D233 CarbonylContact O-C 3.49Å; I198-D233 VanDerWaalsContact O-CA 3.29Å; I198-D233 WeakPolarHBondContact O-CA 3.41Å; I198-L234 HydrophobicContact CB-CD2 3.91Å; I198-L234 HydrophobicContact CD1-CD2 3.84Å; I198-L234 HydrophobicContact CG1-CD2 4.37Å; I198-L234 HydrophobicContact CG2-CD2 4.48Å; I198-L234 PolarHBondContact N-O 3.35Å; I198-L234 PolarHBondContact O-N 2.67Å; I198-F236 HydrophobicContact CD1-CE1 3.93Å; I198-F236 HydrophobicContact CD1-CZ 4.28Å; I198-F236 HydrophobicContact CG1-CE1 4.31Å
199	L	98.4	Very high	94.2	Very high	43 Å²	43	45 Å²	45	23%	0.225	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	128.3	-179.1	-172	69.7	0	0	0	109.1	T197 N201 H202 Y204 D233 V478	T197-L199 HydrophobicContact CG2-CB 4.2Å; L199-N201 PolarHBondContact O-N 3.37Å; L199-H202 PolarHBondContact N-O 3.41Å; L199-H202 WeakPolarHBondContact O-CB 3.23Å; L199-H202 PolarHBondContact O-N 2.93Å; L199-Y204 HydrophobicContact CB-CE2 4.39Å; L199-D233 WeakPolarHBondContact CA-OD1 3.46Å; L199-D233 HydrophobicContact CD1-CB 4.18Å; L199-V478 HydrophobicContact CD2-CG2 4.01Å
200	D	96.9	Very high	95.2	Very high	103 Å²	103	43.5 Å²	43.5	55%	0.551	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	41.4	-176.7	-73.2	-47	0	0	0	111.8	H202 D233	D200-H202 PolarHBondContact O-CE1 3.32Å; D200-H202 PolarHBondContact O-N 3.46Å; D200-H202 VanDerWaalsContact O-N 3.16Å; D200-H202 PolarHBondContact O-ND1 2.95Å; D200-D233 PolarHBondContact N-OD1 3.08Å
201	N	97.4	Very high	95.8	Very high	23 Å²	23	39.7 Å²	39.7	12%	0.123	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	15.7	-176.1	-159.8	60.3	0	0	0	115.6	L199 T226 V229 L230 L231	L199-N201 PolarHBondContact O-N 3.37Å; N201-T226 PolarHBondContact ND2-O 3.01Å; N201-V229 PolarHBondContact OD1-O 3.35Å; N201-L230 HydrophobicContact CB-CD2 4.04Å; N201-L231 PolarHBondContact OD1-N 3.31Å
202	H	98.3	Very high	96.2	Very high	98 Å²	98	39.8 Å²	39.8	45%	0.454	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	146	171.7	-63.4	79.4	0	0	0	110.6	I198 L199 D200 Y204 L484	I198-H202 VanDerWaalsContact CA-O 3.26Å; I198-H202 WeakPolarHBondContact CA-O 3.35Å; L199-H202 PolarHBondContact N-O 3.41Å; L199-H202 WeakPolarHBondContact O-CB 3.23Å; L199-H202 PolarHBondContact O-N 2.93Å; D200-H202 PolarHBondContact O-CE1 3.32Å; D200-H202 PolarHBondContact O-N 3.46Å; D200-H202 VanDerWaalsContact O-N 3.16Å; D200-H202 PolarHBondContact O-ND1 2.95Å; H202-Y204 HydrophobicContact CB-CE2 3.73Å; H202-L484 HydrophobicContact CB-CD1 4.27Å
203	I	98.8	Very high	96.1	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.015	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.2	-177.8	-61.2	153.9	0	0	0	109.3	Y196 I198 L222 L223 T226 V485	Y196-I203 HydrophobicContact CD1-CG2 3.87Å; Y196-I203 HydrophobicContact CE1-CG2 4.21Å; I198-I203 HydrophobicContact CG1-CG1 4.05Å; I203-L222 VanDerWaalsContact CD1-C 3.45Å; I203-L222 HydrophobicContact CD1-CB 3.61Å; I203-L222 HydrophobicContact CG1-CB 4.39Å; I203-L223 HydrophobicContact CD1-CD2 3.91Å; I203-L223 HydrophobicContact CD1-CG 4.13Å; I203-T226 HydrophobicContact CD1-CG2 3.83Å; I203-T226 HydrophobicContact CG1-CG2 4.06Å; I203-V485 HydrophobicContact CB-CB 4.14Å; I203-V485 HydrophobicContact CB-CG2 4.49Å; I203-V485 HydrophobicContact CG2-CB 3.96Å; I203-V485 HydrophobicContact CG2-CG2 3.82Å; I203-V485 PolarHBondContact O-N 3.43Å
204	Y	98.8	Very high	95.9	Very high	57 Å²	57	49.3 Å²	49.3	22%	0.224	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	147.8	171.8	-56	-92.5	0	0	0	109	Y196 T197 L199 H202 V478 E483 L484	Y196-Y204 CarbonylContact C-O 3.5Å; Y196-Y204 WeakPolarHBondContact CA-O 3.23Å; T197-Y204 PolarHBondContact N-O 2.88Å; T197-Y204 PolarHBondContact O-N 3.26Å; L199-Y204 HydrophobicContact CB-CE2 4.39Å; H202-Y204 HydrophobicContact CB-CE2 3.73Å; Y204-V478 HydrophobicContact CD1-CG1 3.85Å; Y204-V478 HydrophobicContact CD1-CG2 4.09Å; Y204-V478 HydrophobicContact CD2-CG2 3.56Å; Y204-V478 HydrophobicContact CE1-CG1 4.4Å; Y204-V478 HydrophobicContact CE1-CG2 4.21Å; Y204-V478 HydrophobicContact CE2-CG2 3.7Å; Y204-V478 HydrophobicContact CG-CG1 3.97Å; Y204-V478 HydrophobicContact CG-CG2 3.76Å; Y204-E483 CarbonylContact C-O 3.34Å; Y204-E483 WeakPolarHBondContact CA-O 3.42Å; Y204-L484 HydrophobicContact CD1-CB 4.28Å; Y204-L484 HydrophobicContact CD1-CD1 4.24Å; Y204-L484 HydrophobicContact CE1-CB 4.2Å; Y204-L484 HydrophobicContact CE1-CD1 3.81Å
205	R	98.4	Very high	95.8	Very high	30 Å²	30	51.1 Å²	51.1	11%	0.113	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158.4	179.1	71.1	176.5	-177.9	-172.4	-8.2	113.5	V194 H195 Y196 K215 D219 M482 E483 V485	V194-R205 HydrophobicContact CG1-CB 3.95Å; H195-R205 CarbonylContact O-C 3.55Å; H195-R205 WeakPolarHBondContact O-CA 3.31Å; Y196-R205 HydrophobicContact CD1-CB 3.62Å; Y196-R205 HydrophobicContact CE1-CB 3.64Å; Y196-R205 HydrophobicContact CE1-CG 4.39Å; Y196-R205 HydrophobicContact CG-CB 4.29Å; R205-K215 VanDerWaalsContact NH1-CD 3.34Å; R205-D219 IonicContact CZ-OD1 3.09Å; R205-D219 IonicContact CZ-OD2 2.8Å; R205-D219 IonicContact NH1-OD1 2.74Å; R205-D219 PolarHBondContact NH1-OD1 2.99Å; R205-D219 IonicContact NH1-OD2 3.01Å; R205-D219 PolarHBondContact NH1-OD2 3.34Å; R205-M482 CarbonylContact O-C 3.52Å; R205-M482 WeakPolarHBondContact O-CA 3.4Å; R205-E483 HydrophobicContact CG-CG 3.94Å; R205-E483 IonicContact CZ-OE1 3.61Å; R205-E483 VanDerWaalsContact CZ-OE1 3.23Å; R205-E483 PolarHBondContact N-O 3.01Å; R205-E483 IonicContact NE-OE1 3.98Å; R205-E483 PolarHBondContact NE-OE1 3.18Å; R205-E483 IonicContact NH2-OE1 2.73Å; R205-E483 PolarHBondContact NH2-OE1 3.02Å; R205-E483 PolarHBondContact O-N 3.33Å; R205-V485 HydrophobicContact CB-CG2 4.2Å; R205-V485 VanDerWaalsContact CD-CG2 3.49Å; R205-V485 HydrophobicContact CG-CG2 3.59Å
206	R	97.3	Very high	95.7	Very high	67 Å²	67	55.3 Å²	55.3	25%	0.253	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	119.8	167.5	-177.2	177.2	69.9	-179.8	6.2	109.8	H195 L208 D480 G481 M482	H195-R206 HydrophobicContact CB-CB 4.5Å; H195-R206 PolarHBondContact N-O 2.96Å; H195-R206 PolarHBondContact O-N 3.47Å; R206-L208 HydrophobicContact CG-CD2 4.39Å; R206-D480 PolarHBondContact NH1-O 3.39Å; R206-G481 WeakPolarHBondContact CG-O 3.07Å; R206-M482 HydrophobicContact CB-CG 3.9Å
207	S	96.3	Very high	95.6	Very high	44 Å²	44	56.6 Å²	56.6	31%	0.308	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	137.8	172.8	-75.2	0	0	0	0	111.5	T212 K215	S207-T212 WeakPolarHBondContact CB-OG1 3.23Å; S207-T212 PolarHBondContact OG-OG1 3.02Å; S207-K215 WeakPolarHBondContact OG-CD 3.33Å
208	L	94.6	Very high	95.5	Very high	22 Å²	22	56.8 Å²	56.8	12%	0.115	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	116.9	177.7	-59.8	176	0	0	0	109.5	P183 G187 I193 H195 R206 Y237	P183-L208 HydrophobicContact CB-CD1 4.3Å; P183-L208 HydrophobicContact CG-CD1 4.01Å; G187-L208 CarbonylContact O-C 3.38Å; I193-L208 HydrophobicContact CB-CB 4.21Å; I193-L208 HydrophobicContact CG2-CB 4.42Å; I193-L208 HydrophobicContact CG2-CD1 4.25Å; I193-L208 PolarHBondContact N-O 3.1Å; I193-L208 VanDerWaalsContact N-O 3.07Å; I193-L208 WeakPolarHBondContact O-CA 3.49Å; I193-L208 PolarHBondContact O-N 3.33Å; H195-L208 HydrophobicContact CB-CD1 4.26Å; R206-L208 HydrophobicContact CG-CD2 4.39Å; L208-Y237 HydrophobicContact CD1-CD1 4.28Å; L208-Y237 HydrophobicContact CD1-CE1 3.76Å
209	G	91.3	Very high	95.5	Very high	33 Å²	33	57.5 Å²	57.5	34%	0.34	28%	0.279	S	S	.	.	S	Bend	trans	97.9	-174.7	-179.1	0	0	0	0	0	113.8	G187 G191	G187-G209 WeakPolarHBondContact O-CA 3.38Å; G187-G209 PolarHBondContact O-N 2.75Å; G191-G209 CarbonylContact O-C 3.48Å; G191-G209 WeakPolarHBondContact O-CA 3.48Å
210	K	89.3	Confident	95.4	Very high	146 Å²	146	58 Å²	58	64%	0.635	28%	0.281	S	S	*	.	S	Bend	trans	-87.9	-31.4	-168.5	-175.6	175.1	-178.6	177.4	0	114.1	E189 G191 T212	E189-K210 VanDerWaalsContact O-CB 3.31Å; E189-K210 WeakPolarHBondContact O-CB 3.37Å; G191-K210 PolarHBondContact O-N 3.5Å; K210-T212 PolarHBondContact O-N 3.33Å
211	Y	88.1	Confident	95.4	Very high	137 Å²	137	53.4 Å²	53.4	54%	0.537	26%	0.256	S	S	.	.			trans	-106.7	61	-168.7	-59.6	-73.7	0	0	0	111.6	G191 A192	G191-Y211 PolarHBondContact O-N 3.21Å; A192-Y211 WeakPolarHBondContact CB-O 3.2Å
212	T	92.4	Very high	95.5	Very high	13 Å²	13	52.6 Å²	52.6	8%	0.08	25%	0.251	C	S	.	.			trans	-108.2	11.6	-172.7	64.5	0	0	0	0	114.8	S207 K210 F214 K215	S207-T212 WeakPolarHBondContact CB-OG1 3.23Å; S207-T212 PolarHBondContact OG-OG1 3.02Å; K210-T212 PolarHBondContact O-N 3.33Å; T212-F214 VanDerWaalsContact C-N 3.26Å; T212-F214 PolarHBondContact O-N 3.39Å; T212-K215 VanDerWaalsContact O-CB 3.23Å; T212-K215 WeakPolarHBondContact O-CB 3.48Å; T212-K215 WeakPolarHBondContact O-CD 3.41Å; T212-K215 WeakPolarHBondContact O-CG 3.27Å; T212-K215 PolarHBondContact O-N 3.39Å; T212-K215 VanDerWaalsContact O-N 3.14Å; T212-K215 PolarHBondContact O-NZ 2.92Å; T212-K215 VanDerWaalsContact O-NZ 3.15Å
213	D	92.4	Very high	95.5	Very high	122 Å²	122	48.9 Å²	48.9	65%	0.652	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-26.4	-178.8	-67.8	-27	0	0	0	113.5	K215 M216	D213-K215 PolarHBondContact O-N 3.4Å; D213-K215 IonicContact OD1-NZ 3.42Å; D213-M216 PolarHBondContact O-N 2.53Å
214	F	92.9	Very high	95.5	Very high	95 Å²	95	48.7 Å²	48.7	42%	0.417	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-4.8	174.4	-83.7	-116.7	0	0	0	113.6	T212 M216 F217 L240 Y276	T212-F214 VanDerWaalsContact C-N 3.26Å; T212-F214 PolarHBondContact O-N 3.39Å; F214-M216 PolarHBondContact O-N 3.19Å; F214-M216 VanDerWaalsContact O-N 3.15Å; F214-F217 HydrophobicContact CB-CD2 4.24Å; F214-F217 AromaticContact CD1-CD2 3.76Å; F214-F217 HydrophobicContact CD1-CD2 3.76Å; F214-F217 AromaticContact CD1-CE2 3.53Å; F214-F217 HydrophobicContact CD1-CE2 3.53Å; F214-F217 HydrophobicContact CE1-CD2 4.48Å; F214-F217 AromaticContact CE1-CE2 3.85Å; F214-F217 HydrophobicContact CE1-CE2 3.85Å; F214-F217 HydrophobicContact CG-CD2 4.24Å; F214-F217 HydrophobicContact CG-CE2 4.11Å; F214-F217 WeakPolarHBondContact O-CD2 3.4Å; F214-F217 PolarHBondContact O-N 2.77Å; F214-F217 VanDerWaalsContact O-N 3.13Å; F214-L240 HydrophobicContact CB-CB 4.15Å; F214-L240 HydrophobicContact CB-CD1 4.36Å; F214-Y276 HydrophobicContact CD1-CD1 4.37Å; F214-Y276 HydrophobicContact CD1-CE1 4.32Å; F214-Y276 HydrophobicContact CE1-CE1 4.16Å; F214-Y276 HydrophobicContact CE1-CE2 4.18Å; F214-Y276 AromaticContact CE1-CZ 3.97Å
215	K	95.8	Very high	95.5	Very high	37 Å²	37	46 Å²	46	16%	0.161	22%	0.223	C	C	.	.	H	α-helix	trans	-53.8	-30.7	171.9	68.7	-168.2	171.6	-69.8	0	112.6	V194 R205 S207 T212 D213 F217 S218 D219 L240	V194-K215 HydrophobicContact CG2-CB 3.82Å; R205-K215 VanDerWaalsContact NH1-CD 3.34Å; S207-K215 WeakPolarHBondContact OG-CD 3.33Å; T212-K215 VanDerWaalsContact O-CB 3.23Å; T212-K215 WeakPolarHBondContact O-CB 3.48Å; T212-K215 WeakPolarHBondContact O-CD 3.41Å; T212-K215 WeakPolarHBondContact O-CG 3.27Å; T212-K215 PolarHBondContact O-N 3.39Å; T212-K215 VanDerWaalsContact O-N 3.14Å; T212-K215 PolarHBondContact O-NZ 2.92Å; T212-K215 VanDerWaalsContact O-NZ 3.15Å; D213-K215 PolarHBondContact O-N 3.4Å; D213-K215 IonicContact OD1-NZ 3.42Å; K215-F217 PolarHBondContact O-N 2.85Å; K215-S218 PolarHBondContact O-N 3.17Å; K215-S218 PolarHBondContact O-OG 3.43Å; K215-D219 VanDerWaalsContact C-OD2 3.28Å; K215-D219 PolarHBondContact O-N 2.99Å; K215-D219 VanDerWaalsContact O-OD2 3.06Å; K215-L240 HydrophobicContact CB-CD1 3.98Å
216	M	96.1	Very high	95.5	Very high	88 Å²	88	44.7 Å²	44.7	43%	0.433	22%	0.219	S	C	.	.	H	α-helix	trans	-49.2	-37.9	176.5	64.1	178.5	-73.3	0	0	112.9	D213 F214 D219 E220	D213-M216 PolarHBondContact O-N 2.53Å; F214-M216 PolarHBondContact O-N 3.19Å; F214-M216 VanDerWaalsContact O-N 3.15Å; M216-D219 WeakPolarHBondContact CA-OD2 3.17Å; M216-D219 PolarHBondContact N-OD2 2.74Å; M216-E220 WeakPolarHBondContact O-CB 3.41Å; M216-E220 WeakPolarHBondContact O-CG 3.39Å; M216-E220 PolarHBondContact O-N 3.34Å
217	F	96.2	Very high	95.4	Very high	27 Å²	27	42 Å²	42	12%	0.118	21%	0.209	C	C	.	.	H	α-helix	trans	-71.8	-34.7	-179.8	-61.5	-63	0	0	0	113.4	F214 K215 Y276 H280	F214-F217 HydrophobicContact CB-CD2 4.24Å; F214-F217 AromaticContact CD1-CD2 3.76Å; F214-F217 HydrophobicContact CD1-CD2 3.76Å; F214-F217 AromaticContact CD1-CE2 3.53Å; F214-F217 HydrophobicContact CD1-CE2 3.53Å; F214-F217 HydrophobicContact CE1-CD2 4.48Å; F214-F217 AromaticContact CE1-CE2 3.85Å; F214-F217 HydrophobicContact CE1-CE2 3.85Å; F214-F217 HydrophobicContact CG-CD2 4.24Å; F214-F217 HydrophobicContact CG-CE2 4.11Å; F214-F217 WeakPolarHBondContact O-CD2 3.4Å; F214-F217 PolarHBondContact O-N 2.77Å; F214-F217 VanDerWaalsContact O-N 3.13Å; K215-F217 PolarHBondContact O-N 2.85Å; F217-Y276 HydrophobicContact CD2-CD2 4.07Å; F217-Y276 HydrophobicContact CD2-CG 4.08Å; F217-Y276 AromaticContact CE2-CD2 3.97Å; F217-Y276 HydrophobicContact CE2-CD2 3.97Å; F217-Y276 HydrophobicContact CE2-CG 4.41Å; F217-Y276 HydrophobicContact CG-CD2 4.44Å; F217-Y276 HydrophobicContact CG-CG 4.42Å; F217-Y276 HydrophobicContact CZ-CD2 4.25Å; F217-H280 HydrophobicContact CD1-CB 3.98Å; F217-H280 AromaticContact CD1-ND1 3.98Å; F217-H280 HydrophobicContact CE1-CB 3.98Å; F217-H280 AromaticContact CE1-CG 3.79Å; F217-H280 AromaticContact CE1-ND1 3.73Å
218	S	97.4	Very high	95.5	Very high	5 Å²	5	40.1 Å²	40.1	4%	0.035	20%	0.195	C	C	.	.	H	α-helix	trans	-77	-38.2	175.1	35.3	0	0	0	0	110.9	Y196 K215 E220 I221 L222	Y196-S218 PolarHBondContact OH-OG 3.1Å; Y196-S218 VanDerWaalsContact OH-OG 3.06Å; K215-S218 PolarHBondContact O-N 3.17Å; K215-S218 PolarHBondContact O-OG 3.43Å; S218-E220 PolarHBondContact O-N 2.91Å; S218-I221 WeakPolarHBondContact O-CG2 3.32Å; S218-L222 WeakPolarHBondContact O-CB 3.31Å; S218-L222 WeakPolarHBondContact O-CG 3.31Å; S218-L222 PolarHBondContact O-N 3.1Å; S218-L222 VanDerWaalsContact O-N 3.1Å
219	D	98.1	Very high	95.6	Very high	14 Å²	14	39 Å²	39	8%	0.075	19%	0.189	C	C	.	.	H	α-helix	trans	-60.4	-46.9	174.3	-47.6	-42.9	0	0	0	111.8	Y196 R205 K215 M216 I221 L222 L223 V485	Y196-D219 WeakPolarHBondContact CE1-OD1 3.19Å; Y196-D219 PolarHBondContact OH-OD1 3.47Å; R205-D219 IonicContact CZ-OD1 3.09Å; R205-D219 IonicContact CZ-OD2 2.8Å; R205-D219 IonicContact NH1-OD1 2.74Å; R205-D219 PolarHBondContact NH1-OD1 2.99Å; R205-D219 IonicContact NH1-OD2 3.01Å; R205-D219 PolarHBondContact NH1-OD2 3.34Å; K215-D219 VanDerWaalsContact C-OD2 3.28Å; K215-D219 PolarHBondContact O-N 2.99Å; K215-D219 VanDerWaalsContact O-OD2 3.06Å; M216-D219 WeakPolarHBondContact CA-OD2 3.17Å; M216-D219 PolarHBondContact N-OD2 2.74Å; D219-I221 VanDerWaalsContact C-N 3.33Å; D219-I221 PolarHBondContact O-N 3.22Å; D219-L222 PolarHBondContact O-N 3.47Å; D219-L223 VanDerWaalsContact O-CB 3.31Å; D219-L223 WeakPolarHBondContact O-CB 3.19Å; D219-L223 VanDerWaalsContact O-CG 3.29Å; D219-L223 WeakPolarHBondContact O-CG 3.31Å; D219-L223 PolarHBondContact O-N 2.82Å; D219-V485 HydrophobicContact CB-CG1 4.15Å
220	E	96.6	Very high	96	Very high	54 Å²	54	38.9 Å²	38.9	25%	0.252	18%	0.18	S	C	.	.	H	α-helix	trans	-56.7	-45.8	-175.6	-83.7	177.1	-175.5	0	0	111.7	M216 S218 S224 H280 L283	M216-E220 WeakPolarHBondContact O-CB 3.41Å; M216-E220 WeakPolarHBondContact O-CG 3.39Å; M216-E220 PolarHBondContact O-N 3.34Å; S218-E220 PolarHBondContact O-N 2.91Å; E220-S224 WeakPolarHBondContact O-CB 3.41Å; E220-S224 PolarHBondContact O-N 2.85Å; E220-H280 IonicContact OE2-ND1 3.46Å; E220-H280 PolarHBondContact OE2-ND1 3.03Å; E220-L283 HydrophobicContact CB-CD1 3.82Å
221	I	98.1	Very high	96.4	Very high	6 Å²	6	32.4 Å²	32.4	3%	0.031	15%	0.153	C	C	.	.	H	α-helix	trans	-74.8	-36.9	179.4	-170.6	59.4	0	0	0	112.7	S218 D219 S224 L225 T279 L283 Y458 Y461	S218-I221 WeakPolarHBondContact O-CG2 3.32Å; D219-I221 VanDerWaalsContact C-N 3.33Å; D219-I221 PolarHBondContact O-N 3.22Å; I221-S224 WeakPolarHBondContact O-CB 3.45Å; I221-S224 PolarHBondContact O-N 3.07Å; I221-L225 HydrophobicContact CG1-CD1 4.26Å; I221-L225 WeakPolarHBondContact O-CG 3.42Å; I221-L225 PolarHBondContact O-N 3.18Å; I221-T279 HydrophobicContact CB-CG2 3.61Å; I221-T279 HydrophobicContact CD1-CG2 4.2Å; I221-T279 HydrophobicContact CG1-CG2 3.9Å; I221-T279 HydrophobicContact CG2-CG2 4.02Å; I221-L283 HydrophobicContact CB-CD1 4.25Å; I221-L283 HydrophobicContact CD1-CD1 4.43Å; I221-L283 HydrophobicContact CD1-CD2 4.29Å; I221-Y458 HydrophobicContact CD1-CD1 4.15Å; I221-Y458 HydrophobicContact CD1-CE1 3.7Å; I221-Y461 HydrophobicContact CB-CE1 4.41Å; I221-Y461 HydrophobicContact CD1-CD2 4.44Å; I221-Y461 HydrophobicContact CD1-CE2 4.48Å; I221-Y461 HydrophobicContact CG1-CD1 4.03Å; I221-Y461 HydrophobicContact CG1-CD2 3.94Å; I221-Y461 HydrophobicContact CG1-CE1 3.91Å; I221-Y461 HydrophobicContact CG1-CE2 3.85Å; I221-Y461 HydrophobicContact CG1-CG 4.06Å; I221-Y461 HydrophobicContact CG2-CD1 4.28Å; I221-Y461 HydrophobicContact CG2-CE1 3.63Å
222	L	98.7	Very high	96.9	Very high	6 Å²	6	27.6 Å²	27.6	3%	0.031	14%	0.138	C	C	.	.	H	α-helix	trans	-65.8	-45.2	176.4	-68.1	175.6	0	0	0	111.3	Y196 I198 I203 S218 D219 S224 L225 T226 F236 L465	Y196-L222 HydrophobicContact CD1-CD1 3.85Å; Y196-L222 HydrophobicContact CE1-CD1 3.88Å; Y196-L222 HydrophobicContact CG-CD1 4.26Å; I198-L222 HydrophobicContact CD1-CD2 4.19Å; I203-L222 VanDerWaalsContact CD1-C 3.45Å; I203-L222 HydrophobicContact CD1-CB 3.61Å; I203-L222 HydrophobicContact CG1-CB 4.39Å; S218-L222 WeakPolarHBondContact O-CB 3.31Å; S218-L222 WeakPolarHBondContact O-CG 3.31Å; S218-L222 PolarHBondContact O-N 3.1Å; S218-L222 VanDerWaalsContact O-N 3.1Å; D219-L222 PolarHBondContact O-N 3.47Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 PolarHBondContact O-N 2.9Å; L222-L225 PolarHBondContact O-N 3.33Å; L222-T226 WeakPolarHBondContact O-CG2 3.31Å; L222-T226 PolarHBondContact O-N 3.31Å; L222-T226 PolarHBondContact O-OG1 2.99Å; L222-T226 VanDerWaalsContact O-OG1 3.1Å; L222-F236 HydrophobicContact CD1-CZ 4.06Å; L222-F236 HydrophobicContact CD2-CZ 4.33Å; L222-L465 HydrophobicContact CD2-CD1 3.87Å; L222-L465 HydrophobicContact CD2-CD2 4.46Å
223	L	98.3	Very high	97.1	Very high	20 Å²	20	30.2 Å²	30.2	11%	0.105	15%	0.152	C	C	.	.	H	α-helix	trans	-60.9	-39.8	172.9	-71.9	170.5	0	0	0	111	I203 D219 L225 T226 R227 V485 Q487	I203-L223 HydrophobicContact CD1-CD2 3.91Å; I203-L223 HydrophobicContact CD1-CG 4.13Å; D219-L223 VanDerWaalsContact O-CB 3.31Å; D219-L223 WeakPolarHBondContact O-CB 3.19Å; D219-L223 VanDerWaalsContact O-CG 3.29Å; D219-L223 WeakPolarHBondContact O-CG 3.31Å; D219-L223 PolarHBondContact O-N 2.82Å; L223-L225 PolarHBondContact O-N 3.33Å; L223-T226 WeakPolarHBondContact CA-OG1 3.24Å; L223-T226 PolarHBondContact O-OG1 3.42Å; L223-R227 WeakPolarHBondContact O-CG 3.29Å; L223-R227 PolarHBondContact O-N 3.41Å; L223-R227 PolarHBondContact O-NH1 3.07Å; L223-V485 HydrophobicContact CD1-CG1 3.92Å; L223-V485 HydrophobicContact CD2-CG1 4.13Å; L223-V485 HydrophobicContact CG-CG1 4.13Å; L223-Q487 HydrophobicContact CD2-CG 4.31Å; L223-Q487 PolarHBondContact O-NE2 2.83Å; L223-Q487 VanDerWaalsContact O-NE2 3.16Å
224	S	98.2	Very high	97.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-63.9	-37.8	176.3	-172.3	0	0	0	0	113.6	E139 E220 I221 L222 R227 K228 Y458	E139-S224 WeakPolarHBondContact OE1-CB 3.23Å; E139-S224 PolarHBondContact OE1-OG 3.43Å; E220-S224 WeakPolarHBondContact O-CB 3.41Å; E220-S224 PolarHBondContact O-N 2.85Å; I221-S224 WeakPolarHBondContact O-CB 3.45Å; I221-S224 PolarHBondContact O-N 3.07Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 PolarHBondContact O-N 2.9Å; S224-R227 VanDerWaalsContact CA-NH2 3.27Å; S224-K228 WeakPolarHBondContact O-CD 3.32Å; S224-K228 WeakPolarHBondContact O-CG 3.19Å; S224-K228 PolarHBondContact O-NZ 3.17Å; S224-K228 PolarHBondContact OG-NZ 3.03Å; S224-Y458 WeakPolarHBondContact OG-CE1 3.4Å; S224-Y458 PolarHBondContact OG-OH 2.77Å
225	L	98.6	Very high	97.7	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.2	-49.8	175.1	-79.2	159.5	0	0	0	112	W150 I221 L222 L223 R227 K228 V229 L231 Y458 Y461 L465	W150-L225 HydrophobicContact CH2-CD2 4.15Å; W150-L225 HydrophobicContact CZ2-CD2 4.34Å; I221-L225 HydrophobicContact CG1-CD1 4.26Å; I221-L225 WeakPolarHBondContact O-CG 3.42Å; I221-L225 PolarHBondContact O-N 3.18Å; L222-L225 PolarHBondContact O-N 3.33Å; L223-L225 PolarHBondContact O-N 3.33Å; L225-R227 PolarHBondContact O-N 2.78Å; L225-R227 VanDerWaalsContact O-N 3.14Å; L225-K228 WeakPolarHBondContact O-CA 3.41Å; L225-K228 PolarHBondContact O-N 3.06Å; L225-V229 HydrophobicContact CD2-CG1 4.18Å; L225-V229 PolarHBondContact O-N 3.25Å; L225-V229 VanDerWaalsContact O-O 3.14Å; L225-L231 HydrophobicContact CB-CD1 3.97Å; L225-L231 HydrophobicContact CB-CD2 4.15Å; L225-L231 HydrophobicContact CB-CG 4.37Å; L225-Y458 HydrophobicContact CD2-CD1 3.74Å; L225-Y458 HydrophobicContact CG-CD1 4.14Å; L225-Y461 HydrophobicContact CD1-CD1 4.5Å; L225-Y461 HydrophobicContact CD1-CG 4.39Å; L225-L465 HydrophobicContact CD1-CD1 4.17Å
226	T	98	Very high	97.8	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.012	9%	0.094	C	C	.	.	H	α-helix	trans	-60.8	-24.3	-178.7	48.5	0	0	0	0	113.5	N201 I203 L222 L223 L231 Q487	N201-T226 PolarHBondContact ND2-O 3.01Å; I203-T226 HydrophobicContact CD1-CG2 3.83Å; I203-T226 HydrophobicContact CG1-CG2 4.06Å; L222-T226 WeakPolarHBondContact O-CG2 3.31Å; L222-T226 PolarHBondContact O-N 3.31Å; L222-T226 PolarHBondContact O-OG1 2.99Å; L222-T226 VanDerWaalsContact O-OG1 3.1Å; L223-T226 WeakPolarHBondContact CA-OG1 3.24Å; L223-T226 PolarHBondContact O-OG1 3.42Å; T226-L231 HydrophobicContact CG2-CD1 3.55Å; T226-L231 HydrophobicContact CG2-CG 4.07Å; T226-Q487 PolarHBondContact OG1-NE2 3.01Å
227	R	97.3	Very high	97.9	Very high	12 Å²	12	14.2 Å²	14.2	5%	0.045	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-25	170.3	-71.6	-171.1	-62.3	-88.9	4.9	114	E139 Y140 E142 C143 P144 L223 S224 L225	E139-R227 PolarHBondContact O-NE 3.4Å; E139-R227 IonicContact OE1-CZ 3.89Å; E139-R227 IonicContact OE1-NE 3.77Å; E139-R227 IonicContact OE1-NH2 3.83Å; E139-R227 PolarHBondContact OE1-NH2 3.49Å; Y140-R227 WeakPolarHBondContact O-CD 3.36Å; E142-R227 HydrophobicContact CB-CG 4.27Å; E142-R227 HydrophobicContact CG-CG 4.39Å; C143-R227 CarbonylContact C-O 3.48Å; C143-R227 PolarHBondContact N-O 3.16Å; P144-R227 VanDerWaalsContact N-O 3.16Å; L223-R227 WeakPolarHBondContact O-CG 3.29Å; L223-R227 PolarHBondContact O-N 3.41Å; L223-R227 PolarHBondContact O-NH1 3.07Å; S224-R227 VanDerWaalsContact CA-NH2 3.27Å; L225-R227 PolarHBondContact O-N 2.78Å; L225-R227 VanDerWaalsContact O-N 3.14Å
228	K	97.2	Very high	98	Very high	3 Å²	3	13 Å²	13	1%	0.013	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	-33.3	-168.3	-66.8	173.7	-175.9	60.7	0	113.6	V44 E139 E145 S224 L225 Y458	V44-K228 HydrophobicContact CB-CD 4.49Å; V44-K228 HydrophobicContact CB-CG 4.27Å; V44-K228 HydrophobicContact CG1-CD 4.49Å; V44-K228 HydrophobicContact CG1-CG 4.18Å; V44-K228 WeakPolarHBondContact O-CD 3.19Å; V44-K228 WeakPolarHBondContact O-CE 3.49Å; E139-K228 IonicContact OE1-NZ 2.8Å; E139-K228 PolarHBondContact OE1-NZ 2.95Å; E139-K228 WeakPolarHBondContact OE2-CE 3.24Å; E139-K228 IonicContact OE2-NZ 2.75Å; E139-K228 PolarHBondContact OE2-NZ 2.97Å; E145-K228 PolarHBondContact N-O 2.87Å; S224-K228 WeakPolarHBondContact O-CD 3.32Å; S224-K228 WeakPolarHBondContact O-CG 3.19Å; S224-K228 PolarHBondContact O-NZ 3.17Å; S224-K228 PolarHBondContact OG-NZ 3.03Å; L225-K228 WeakPolarHBondContact O-CA 3.41Å; L225-K228 PolarHBondContact O-N 3.06Å; K228-Y458 HydrophobicContact CD-CD1 4.35Å; K228-Y458 HydrophobicContact CD-CE1 3.99Å
229	V	97.8	Very high	98	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	B	Isolated β-bridge	trans	-146.4	143.4	-175.1	61.8	0	0	0	0	109.3	E145 P147 W150 N201 L225 L231 Y462	E145-V229 WeakPolarHBondContact O-CA 3.24Å; P147-V229 HydrophobicContact CB-CG2 3.91Å; P147-V229 HydrophobicContact CG-CG2 4.07Å; W150-V229 HydrophobicContact CB-CB 4.21Å; W150-V229 HydrophobicContact CB-CG2 3.87Å; W150-V229 HydrophobicContact CD2-CB 3.66Å; W150-V229 HydrophobicContact CD2-CG1 4.08Å; W150-V229 HydrophobicContact CD2-CG2 3.86Å; W150-V229 HydrophobicContact CE3-CB 4.1Å; W150-V229 HydrophobicContact CE3-CG1 4.24Å; W150-V229 HydrophobicContact CE3-CG2 3.93Å; W150-V229 HydrophobicContact CG-CB 3.7Å; W150-V229 HydrophobicContact CG-CG2 3.85Å; W150-V229 HydrophobicContact CH2-CG1 4.29Å; W150-V229 HydrophobicContact CZ2-CG1 4.12Å; W150-V229 HydrophobicContact CZ3-CG1 4.36Å; N201-V229 PolarHBondContact OD1-O 3.35Å; L225-V229 HydrophobicContact CD2-CG1 4.18Å; L225-V229 PolarHBondContact O-N 3.25Å; L225-V229 VanDerWaalsContact O-O 3.14Å; V229-L231 HydrophobicContact CG1-CD2 4.05Å; V229-L231 PolarHBondContact O-N 2.91Å; V229-Y462 HydrophobicContact CG1-CD2 3.94Å; V229-Y462 HydrophobicContact CG1-CE2 4.45Å; V229-Y462 HydrophobicContact CG2-CD2 4.16Å; V229-Y462 HydrophobicContact CG2-CE2 3.94Å
230	L	97.8	Very high	97.9	Very high	29 Å²	29	12.8 Å²	12.8	15%	0.152	7%	0.067	C	C	.	.	P	Polyproline II helix	trans	-67.9	119.3	170.5	-66.2	173.1	0	0	0	109.3	P144 E145 P147 N201 P502	P144-L230 HydrophobicContact CB-CD2 3.94Å; P144-L230 HydrophobicContact CB-CG 4.12Å; P144-L230 HydrophobicContact CG-CD2 3.86Å; P144-L230 HydrophobicContact CG-CG 4.49Å; E145-L230 PolarHBondContact O-N 2.71Å; E145-L230 VanDerWaalsContact O-N 3.14Å; P147-L230 HydrophobicContact CG-CB 4.38Å; P147-L230 WeakPolarHBondContact CG-O 3.48Å; N201-L230 HydrophobicContact CB-CD2 4.04Å; L230-P502 HydrophobicContact CD1-CB 4.47Å; L230-P502 HydrophobicContact CD1-CG 3.49Å; L230-P502 VanDerWaalsContact CD1-CG 3.49Å
231	L	98.3	Very high	97.8	Very high	10 Å²	10	11.3 Å²	11.3	5%	0.052	7%	0.066	C	C	.	.	P	Polyproline II helix	trans	-81.9	145.5	174.2	-65.2	-176.2	0	0	0	110.3	I198 N201 L225 T226 V229 Y462 L465	I198-L231 HydrophobicContact CD1-CD1 3.74Å; I198-L231 HydrophobicContact CG2-CB 3.96Å; N201-L231 PolarHBondContact OD1-N 3.31Å; L225-L231 HydrophobicContact CB-CD1 3.97Å; L225-L231 HydrophobicContact CB-CD2 4.15Å; L225-L231 HydrophobicContact CB-CG 4.37Å; T226-L231 HydrophobicContact CG2-CD1 3.55Å; T226-L231 HydrophobicContact CG2-CG 4.07Å; V229-L231 HydrophobicContact CG1-CD2 4.05Å; V229-L231 PolarHBondContact O-N 2.91Å; L231-Y462 HydrophobicContact CD2-CD2 3.81Å; L231-Y462 HydrophobicContact CD2-CE2 4.24Å; L231-L465 HydrophobicContact CD1-CD1 4.08Å; L231-L465 HydrophobicContact CD2-CD1 4.16Å
232	P	97.9	Very high	97.5	Very high	36 Å²	36	14 Å²	14	23%	0.234	8%	0.081	C	C	.	.	P	Polyproline II helix	trans	-65.5	159.3	172.2	28.4	-32.4	0	0	0	110.3	L234 A469	P232-L234 HydrophobicContact CG-CD2 4.3Å; P232-L234 WeakPolarHBondContact O-CD2 3.2Å; P232-L234 PolarHBondContact O-N 3.37Å; P232-A469 HydrophobicContact CB-CB 3.79Å; P232-A469 HydrophobicContact CG-CB 3.8Å
233	D	98.5	Very high	97.4	Very high	69 Å²	69	19.7 Å²	19.7	37%	0.369	10%	0.102	S	C	.	.	P	Polyproline II helix	trans	-71.2	125.4	172.1	-66.4	-19.2	0	0	0	109.9	I198 L199 D200 P476	I198-D233 CarbonylContact O-C 3.49Å; I198-D233 VanDerWaalsContact O-CA 3.29Å; I198-D233 WeakPolarHBondContact O-CA 3.41Å; L199-D233 WeakPolarHBondContact CA-OD1 3.46Å; L199-D233 HydrophobicContact CD1-CB 4.18Å; D200-D233 PolarHBondContact N-OD1 3.08Å; D233-P476 HydrophobicContact CB-CG 3.66Å
234	L	98.1	Very high	97.3	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	159	177.1	72.4	160.3	0	0	0	114.3	T197 I198 P232 F236 L465 Y468 A469	T197-L234 CarbonylContact C-O 3.56Å; T197-L234 WeakPolarHBondContact CA-O 3.38Å; I198-L234 HydrophobicContact CB-CD2 3.91Å; I198-L234 HydrophobicContact CD1-CD2 3.84Å; I198-L234 HydrophobicContact CG1-CD2 4.37Å; I198-L234 HydrophobicContact CG2-CD2 4.48Å; I198-L234 PolarHBondContact N-O 3.35Å; I198-L234 PolarHBondContact O-N 2.67Å; P232-L234 HydrophobicContact CG-CD2 4.3Å; P232-L234 WeakPolarHBondContact O-CD2 3.2Å; P232-L234 PolarHBondContact O-N 3.37Å; L234-F236 HydrophobicContact CD1-CD1 3.53Å; L234-F236 HydrophobicContact CD1-CE1 3.88Å; L234-F236 HydrophobicContact CD1-CG 4.29Å; L234-F236 HydrophobicContact CD2-CE1 4.47Å; L234-F236 HydrophobicContact CG-CD1 3.66Å; L234-F236 HydrophobicContact CG-CE1 3.87Å; L234-L465 HydrophobicContact CD1-CB 4.14Å; L234-L465 HydrophobicContact CD1-CD2 3.91Å; L234-Y468 HydrophobicContact CD1-CD1 4.27Å; L234-Y468 HydrophobicContact CD1-CG 4.35Å; L234-A469 HydrophobicContact CB-CB 3.98Å
235	E	98.2	Very high	97.2	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.1	177.4	-179.5	177.4	176.7	0	0	108.7	L175 L179 H195 Y196 Y468 Q472 P476 R479	L175-E235 HydrophobicContact CD1-CB 3.96Å; L175-E235 HydrophobicContact CD2-CB 4.04Å; L175-E235 HydrophobicContact CD2-CG 4.43Å; L175-E235 WeakPolarHBondContact CD2-O 3.08Å; L179-E235 WeakPolarHBondContact CD2-OE1 3.14Å; H195-E235 IonicContact CE1-OE1 2.71Å; H195-E235 PolarHBondContact CE1-OE1 3.49Å; H195-E235 WeakPolarHBondContact NE2-CG 3.47Å; H195-E235 IonicContact NE2-OE1 3.84Å; H195-E235 PolarHBondContact NE2-OE1 3.02Å; H195-E235 VanDerWaalsContact NE2-OE1 3.09Å; Y196-E235 CarbonylContact O-C 3.46Å; Y196-E235 VanDerWaalsContact O-CA 3.31Å; Y196-E235 WeakPolarHBondContact O-CA 3.4Å; E235-Y468 WeakPolarHBondContact O-CE1 3.37Å; E235-Q472 PolarHBondContact O-OE1 2.92Å; E235-P476 HydrophobicContact CB-CB 3.78Å; E235-R479 WeakPolarHBondContact OE1-CG 3.22Å; E235-R479 IonicContact OE1-CZ 3.74Å; E235-R479 IonicContact OE1-NE 2.72Å; E235-R479 PolarHBondContact OE1-NE 2.83Å; E235-R479 IonicContact OE1-NH2 3.62Å; E235-R479 IonicContact OE2-CZ 2.72Å; E235-R479 IonicContact OE2-NE 3.95Å; E235-R479 PolarHBondContact OE2-NE 2.74Å; E235-R479 IonicContact OE2-NH2 3.73Å; E235-R479 PolarHBondContact OE2-NH2 3.15Å
236	F	98.6	Very high	97.1	Very high	2 Å²	2	20.9 Å²	20.9	1%	0.009	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	165.3	-169.7	63	-80.9	0	0	0	112.1	H195 Y196 I198 L222 L234 V238 I260 L465 Y468	H195-F236 PolarHBondContact CD2-O 3Å; Y196-F236 HydrophobicContact CD2-CE2 4.1Å; Y196-F236 HydrophobicContact CD2-CZ 4.41Å; Y196-F236 HydrophobicContact CG-CE2 4.22Å; Y196-F236 HydrophobicContact CG-CZ 4.08Å; Y196-F236 PolarHBondContact N-O 3.42Å; Y196-F236 PolarHBondContact O-N 3.25Å; I198-F236 HydrophobicContact CD1-CE1 3.93Å; I198-F236 HydrophobicContact CD1-CZ 4.28Å; I198-F236 HydrophobicContact CG1-CE1 4.31Å; L222-F236 HydrophobicContact CD1-CZ 4.06Å; L222-F236 HydrophobicContact CD2-CZ 4.33Å; L234-F236 HydrophobicContact CD1-CD1 3.53Å; L234-F236 HydrophobicContact CD1-CE1 3.88Å; L234-F236 HydrophobicContact CD1-CG 4.29Å; L234-F236 HydrophobicContact CD2-CE1 4.47Å; L234-F236 HydrophobicContact CG-CD1 3.66Å; L234-F236 HydrophobicContact CG-CE1 3.87Å; F236-V238 HydrophobicContact CD2-CG2 3.79Å; F236-V238 HydrophobicContact CE2-CG2 3.54Å; F236-I260 HydrophobicContact CD2-CD1 3.62Å; F236-I260 HydrophobicContact CD2-CG1 4.5Å; F236-I260 HydrophobicContact CE2-CD1 4.12Å; F236-I260 HydrophobicContact CG-CD1 4.31Å; F236-L465 HydrophobicContact CE1-CD2 4.22Å; F236-L465 HydrophobicContact CE2-CD2 4.34Å; F236-L465 HydrophobicContact CZ-CD2 3.98Å; F236-Y468 HydrophobicContact CB-CD1 4.11Å; F236-Y468 HydrophobicContact CB-CE1 3.6Å; F236-Y468 HydrophobicContact CB-CE2 4.08Å
237	Y	98.5	Very high	97	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.008	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	132.7	-179.8	-67.8	-97.8	0	0	0	110.9	M178 L179 V182 I193 V194 H195 L208 I260	M178-Y237 HydrophobicContact CB-CD2 4.33Å; M178-Y237 HydrophobicContact CB-CE2 3.78Å; M178-Y237 HydrophobicContact CE-CD2 3.48Å; M178-Y237 VanDerWaalsContact CE-CD2 3.48Å; M178-Y237 HydrophobicContact CE-CE2 4.1Å; M178-Y237 HydrophobicContact CE-CG 4.42Å; L179-Y237 WeakPolarHBondContact CA-OH 3.22Å; V182-Y237 HydrophobicContact CB-CD1 3.96Å; V182-Y237 HydrophobicContact CB-CD2 4.38Å; V182-Y237 HydrophobicContact CB-CE1 3.78Å; V182-Y237 HydrophobicContact CB-CE2 4.25Å; V182-Y237 HydrophobicContact CB-CG 4.21Å; V182-Y237 HydrophobicContact CG1-CD1 3.31Å; V182-Y237 HydrophobicContact CG1-CD2 4.37Å; V182-Y237 HydrophobicContact CG1-CE1 3.55Å; V182-Y237 HydrophobicContact CG1-CG 3.72Å; V182-Y237 HydrophobicContact CG2-CD1 4.39Å; V182-Y237 HydrophobicContact CG2-CD2 4Å; V182-Y237 HydrophobicContact CG2-CE1 4.42Å; V182-Y237 HydrophobicContact CG2-CE2 4.07Å; V182-Y237 HydrophobicContact CG2-CG 4.13Å; I193-Y237 HydrophobicContact CG2-CD1 3.72Å; I193-Y237 HydrophobicContact CG2-CG 4.5Å; V194-Y237 WeakPolarHBondContact O-CA 3.49Å; H195-Y237 HydrophobicContact CB-CD1 3.77Å; H195-Y237 HydrophobicContact CB-CE1 3.5Å; H195-Y237 AromaticContact CD2-CD1 3.83Å; H195-Y237 AromaticContact CD2-CD2 3.85Å; H195-Y237 AromaticContact CD2-CE1 3.48Å; H195-Y237 VanDerWaalsContact CD2-CE1 3.48Å; H195-Y237 WeakPolarHBondContact CD2-CE1 3.48Å; H195-Y237 AromaticContact CD2-CE2 3.47Å; H195-Y237 VanDerWaalsContact CD2-CE2 3.47Å; H195-Y237 WeakPolarHBondContact CD2-CE2 3.04Å; H195-Y237 AromaticContact CD2-CZ 3.29Å; H195-Y237 AromaticContact CE1-CZ 3.84Å; H195-Y237 PolarHBondContact CE1-OH 3.25Å; H195-Y237 AromaticContact CG-CD1 3.95Å; H195-Y237 AromaticContact CG-CE1 3.39Å; H195-Y237 AromaticContact CG-CZ 3.54Å; H195-Y237 AromaticContact ND1-CZ 3.87Å; H195-Y237 AromaticContact NE2-CE2 3.55Å; H195-Y237 AromaticContact NE2-CZ 3.48Å; L208-Y237 HydrophobicContact CD1-CD1 4.28Å; L208-Y237 HydrophobicContact CD1-CE1 3.76Å; Y237-I260 WeakPolarHBondContact O-CB 3.47Å; Y237-I260 PolarHBondContact O-N 3.2Å
238	V	98.4	Very high	96.9	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.7	175	-176.7	0	0	0	0	109.1	I193 V194 Y196 F236 L240 I260 W262	I193-V238 WeakPolarHBondContact CA-O 3.26Å; V194-V238 PolarHBondContact N-O 2.82Å; V194-V238 PolarHBondContact O-N 3.24Å; Y196-V238 HydrophobicContact CD2-CB 4.34Å; Y196-V238 HydrophobicContact CD2-CG2 3.79Å; Y196-V238 HydrophobicContact CE2-CB 4.17Å; Y196-V238 HydrophobicContact CE2-CG2 3.93Å; F236-V238 HydrophobicContact CD2-CG2 3.79Å; F236-V238 HydrophobicContact CE2-CG2 3.54Å; V238-L240 HydrophobicContact CG1-CD2 4.07Å; V238-I260 CarbonylContact C-O 3.11Å; V238-I260 WeakPolarHBondContact CA-O 3.16Å; V238-I260 HydrophobicContact CG1-CG2 4.45Å; V238-I260 HydrophobicContact CG2-CB 4.28Å; V238-I260 HydrophobicContact CG2-CG2 4.28Å; V238-W262 HydrophobicContact CG1-CZ2 4.48Å
239	N	97.6	Very high	96.7	Very high	5 Å²	5	35 Å²	35	3%	0.027	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	123.8	167	172.9	33.3	0	0	0	109.9	I193 G241 W243 L245 I259 I260 S261 W262	I193-N239 HydrophobicContact CD1-CB 3.76Å; N239-G241 PolarHBondContact OD1-N 3.48Å; N239-W243 PolarHBondContact ND2-O 2.97Å; N239-L245 HydrophobicContact CB-CD1 3.82Å; N239-L245 HydrophobicContact CB-CG 4.39Å; N239-I259 HydrophobicContact CB-CG2 3.82Å; N239-I260 PolarHBondContact N-O 2.9Å; N239-S261 VanDerWaalsContact CB-OG 3.3Å; N239-S261 WeakPolarHBondContact CB-OG 3.35Å; N239-S261 PolarHBondContact ND2-OG 2.82Å; N239-W262 PolarHBondContact O-NE1 3.08Å
240	L	95.9	Very high	96.3	Very high	9 Å²	9	38 Å²	38	5%	0.047	19%	0.187	C	C	.	.			trans	-96.3	-9.4	177.4	-55.4	178.5	0	0	0	112.7	A192 V194 F214 K215 V238 W262	A192-L240 HydrophobicContact CB-CB 4.22Å; A192-L240 WeakPolarHBondContact O-CB 3.06Å; A192-L240 PolarHBondContact O-N 3.14Å; V194-L240 HydrophobicContact CG2-CD1 3.51Å; V194-L240 HydrophobicContact CG2-CG 4.14Å; F214-L240 HydrophobicContact CB-CB 4.15Å; F214-L240 HydrophobicContact CB-CD1 4.36Å; K215-L240 HydrophobicContact CB-CD1 3.98Å; V238-L240 HydrophobicContact CG1-CD2 4.07Å; L240-W262 HydrophobicContact CD2-CZ2 4.34Å
241	G	93.9	Very high	95.7	Very high	23 Å²	23	44.1 Å²	44.1	24%	0.237	22%	0.22	C	C	.	.	S	Bend	trans	-76.1	166.1	176	0	0	0	0	0	113	N239	N239-G241 PolarHBondContact OD1-N 3.48Å
242	D	92.6	Very high	95.1	Very high	62 Å²	62	44.9 Å²	44.9	33%	0.332	23%	0.231	S	C	.	.	S	Bend	trans	-68.6	-44.5	178.6	-75.2	-8.2	0	0	0	112	T376 V377	D242-T376 HydrophobicContact CB-CG2 3.72Å; D242-T376 WeakPolarHBondContact OD2-CB 3.3Å; D242-T376 WeakPolarHBondContact OD2-CG2 3.1Å; D242-T376 PolarHBondContact OD2-OG1 3.37Å; D242-V377 HydrophobicContact CB-CG1 4.38Å; D242-V377 HydrophobicContact CB-CG2 4.28Å; D242-V377 VanDerWaalsContact O-CG1 3.22Å; D242-V377 WeakPolarHBondContact O-CG1 3.32Å
243	W	95.2	Very high	94.5	Very high	126 Å²	126	50.1 Å²	50.1	48%	0.477	26%	0.262	S	S	.	.	S	Bend	trans	-80.6	135.6	-172.6	-59.7	106.7	0	0	0	111.9	N239 T376 V377 Y399	N239-W243 PolarHBondContact ND2-O 2.97Å; W243-T376 HydrophobicContact CD2-CG2 4.1Å; W243-T376 HydrophobicContact CH2-CG2 4.09Å; W243-T376 WeakPolarHBondContact CH2-O 3.4Å; W243-T376 HydrophobicContact CZ2-CG2 3.44Å; W243-T376 VanDerWaalsContact CZ2-CG2 3.44Å; W243-T376 WeakPolarHBondContact CZ3-O 3.49Å; W243-V377 HydrophobicContact CD2-CG1 4.07Å; W243-V377 HydrophobicContact CE3-CG1 3.48Å; W243-V377 VanDerWaalsContact CE3-CG1 3.48Å; W243-V377 HydrophobicContact CZ3-CG1 3.83Å; W243-Y399 HydrophobicContact CE3-CE1 4Å; W243-Y399 AromaticContact CE3-CZ 3.93Å; W243-Y399 AromaticContact CZ3-CE1 3.95Å; W243-Y399 HydrophobicContact CZ3-CE1 3.95Å; W243-Y399 HydrophobicContact CZ3-CE2 4.02Å; W243-Y399 AromaticContact CZ3-CZ 3.41Å; W243-Y399 VanDerWaalsContact CZ3-CZ 3.41Å; W243-Y399 WeakPolarHBondContact CZ3-OH 3.46Å
244	P	96.6	Very high	94	Very high	5 Å²	5	49.7 Å²	49.7	3%	0.032	26%	0.263	C	S	.	.			trans	-62.1	155.6	165.3	27	-32.4	0	0	0	110.7	H247 C263 S265 S268 D270 Y399	P244-H247 PolarHBondContact O-NE2 3.25Å; P244-C263 WeakPolarHBondContact CB-O 3.15Å; P244-S265 WeakPolarHBondContact CG-OG 3.47Å; P244-S268 WeakPolarHBondContact CB-OG 3.46Å; P244-D270 HydrophobicContact CB-CB 4.23Å; P244-Y399 HydrophobicContact CG-CE1 4.45Å
245	L	96.1	Very high	93.6	Very high	40 Å²	40	52.1 Å²	52.1	21%	0.209	28%	0.281	C	S	.	.			trans	-117.8	-33.6	-164	-62.1	-177.2	0	0	0	115.2	F186 I193 N239 H247 I259 D270	F186-L245 HydrophobicContact CB-CD1 4.11Å; F186-L245 HydrophobicContact CD1-CB 4.06Å; F186-L245 HydrophobicContact CD1-CD1 4.05Å; F186-L245 HydrophobicContact CD1-CD2 4.47Å; F186-L245 HydrophobicContact CD1-CG 4.44Å; F186-L245 HydrophobicContact CD2-CD1 4.48Å; F186-L245 HydrophobicContact CE1-CB 3.77Å; F186-L245 HydrophobicContact CE2-CB 4.44Å; F186-L245 HydrophobicContact CG-CD1 3.98Å; F186-L245 HydrophobicContact CZ-CB 3.96Å; I193-L245 HydrophobicContact CD1-CD1 3.41Å; I193-L245 VanDerWaalsContact CD1-CD1 3.41Å; I193-L245 HydrophobicContact CG1-CD1 4.43Å; N239-L245 HydrophobicContact CB-CD1 3.82Å; N239-L245 HydrophobicContact CB-CG 4.39Å; L245-H247 PolarHBondContact O-N 3.4Å; L245-I259 HydrophobicContact CD1-CG2 4.37Å; L245-D270 VanDerWaalsContact N-CG 3.33Å; L245-D270 PolarHBondContact N-OD1 2.76Å; L245-D270 PolarHBondContact N-OD2 2.9Å
246	E	96.6	Very high	93.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.283	C	S	.	.			trans	-94.3	95.1	-172.2	-177.5	55.9	-83.4	0	0	111.9	R185 R248 P256 I257 S268 R269 D270	R185-E246 IonicContact CZ-OE1 3.54Å; R185-E246 IonicContact CZ-OE2 2.66Å; R185-E246 IonicContact NH1-OE1 3.38Å; R185-E246 IonicContact NH1-OE2 3.85Å; R185-E246 PolarHBondContact NH1-OE2 3.17Å; R185-E246 IonicContact NH2-OE1 2.86Å; R185-E246 PolarHBondContact NH2-OE1 3.44Å; R185-E246 IonicContact NH2-OE2 3.49Å; R185-E246 PolarHBondContact NH2-OE2 2.97Å; E246-R248 WeakPolarHBondContact OE1-CB 3.29Å; E246-R248 WeakPolarHBondContact OE1-CG 3.37Å; E246-R248 PolarHBondContact OE1-N 2.9Å; E246-P256 HydrophobicContact CG-CB 3.6Å; E246-I257 WeakPolarHBondContact CG-O 3.45Å; E246-I257 VanDerWaalsContact OE2-CG1 3.31Å; E246-I257 WeakPolarHBondContact OE2-CG1 3.31Å; E246-I257 PolarHBondContact OE2-N 3.11Å; E246-S268 CarbonylContact O-C 3.33Å; E246-S268 VanDerWaalsContact O-CA 3.26Å; E246-S268 WeakPolarHBondContact O-CA 3.36Å; E246-R269 HydrophobicContact CB-CB 4.4Å; E246-R269 HydrophobicContact CG-CB 4.09Å; E246-R269 PolarHBondContact O-N 2.99Å; E246-D270 PolarHBondContact N-OD2 2.85Å
247	H	96.1	Very high	93.4	Very high	93 Å²	93	52.4 Å²	52.4	43%	0.431	28%	0.283	S	S	.	.			trans	-96.8	1	-179.8	-65.1	-75.1	0	0	0	114.7	P244 L245 D267	P244-H247 PolarHBondContact O-NE2 3.25Å; L245-H247 PolarHBondContact O-N 3.4Å; H247-D267 IonicContact CE1-OD1 3.6Å; H247-D267 IonicContact CE1-OD2 3.2Å; H247-D267 PolarHBondContact ND1-O 3.07Å; H247-D267 IonicContact ND1-OD1 3.63Å; H247-D267 IonicContact ND1-OD2 2.75Å
248	R	95.7	Very high	93.3	Very high	57 Å²	57	52.5 Å²	52.5	22%	0.215	28%	0.283	C	S	.	.			trans	-62.1	143.8	175.8	-71.4	172.4	-176.5	168.7	4.3	110.7	E181 R185 E246 P254 S255 P256 R269	E181-R248 IonicContact OE1-NH1 3.22Å; E181-R248 IonicContact OE2-CZ 3.2Å; E181-R248 IonicContact OE2-NH1 3.08Å; E181-R248 PolarHBondContact OE2-NH1 2.97Å; E181-R248 IonicContact OE2-NH2 2.77Å; E181-R248 PolarHBondContact OE2-NH2 2.96Å; R185-R248 VanDerWaalsContact NH1-NH1 3.1Å; E246-R248 WeakPolarHBondContact OE1-CB 3.29Å; E246-R248 WeakPolarHBondContact OE1-CG 3.37Å; E246-R248 PolarHBondContact OE1-N 2.9Å; R248-P254 WeakPolarHBondContact CD-O 3.43Å; R248-P254 VanDerWaalsContact NH1-CG 3.29Å; R248-S255 PolarHBondContact NH1-O 2.83Å; R248-P256 HydrophobicContact CB-CB 4.05Å; R248-R269 VanDerWaalsContact O-CG 3.31Å; R248-R269 WeakPolarHBondContact O-CG 3.38Å
249	K	92.1	Very high	93.3	Very high	164 Å²	164	52.4 Å²	52.4	71%	0.713	28%	0.283	S	S	*	.			trans	-74.4	149.9	174.5	-60	-175.6	-178.3	179.4	0	109.6	N251 G252 P256	K249-N251 PolarHBondContact O-N 3.07Å; K249-G252 WeakPolarHBondContact O-CA 3.36Å; K249-G252 PolarHBondContact O-N 3.2Å; K249-P256 WeakPolarHBondContact O-CD 3.36Å
250	V	88.8	Confident	93.4	Very high	61 Å²	61	52.2 Å²	52.2	37%	0.37	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-39.7	179.2	-178.3	0	0	0	0	112.4	G252	V250-G252 VanDerWaalsContact C-N 3.31Å; V250-G252 PolarHBondContact O-N 2.83Å
251	N	86.9	Confident	93.5	Very high	158 Å²	158	51.8 Å²	51.8	85%	0.845	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	18.2	177.8	-58.6	-13.6	0	0	0	112.9	K249	K249-N251 PolarHBondContact O-N 3.07Å
252	G	84.9	Confident	93.6	Very high	26 Å²	26	50.9 Å²	50.9	27%	0.268	27%	0.269	S	S	.	.			trans	-75.2	160.2	177.7	0	0	0	0	0	112.3	K249 V250 P254 S255	K249-G252 WeakPolarHBondContact O-CA 3.36Å; K249-G252 PolarHBondContact O-N 3.2Å; V250-G252 VanDerWaalsContact C-N 3.31Å; V250-G252 PolarHBondContact O-N 2.83Å; G252-P254 CarbonylContact C-O 3.42Å; G252-P254 CarbonylContact O-C 3.55Å; G252-S255 PolarHBondContact O-N 2.92Å
253	T	85.6	Confident	93.8	Very high	146 Å²	146	48 Å²	48	90%	0.896	25%	0.254	S	S	*	.	S	Bend	trans	-125.1	119.1	170.6	-53.8	0	0	0	0	109
254	P	86.9	Confident	93.9	Very high	60 Å²	60	42 Å²	42	39%	0.39	23%	0.231	S	C	.	.	S	Bend	cis	-61.5	158.6	-9.9	26.7	-36.5	0	0	0	113.6	R248 G252	R248-P254 WeakPolarHBondContact CD-O 3.43Å; R248-P254 VanDerWaalsContact NH1-CG 3.29Å; G252-P254 CarbonylContact C-O 3.42Å; G252-P254 CarbonylContact O-C 3.55Å
255	S	90.9	Very high	94	Very high	52 Å²	52	41.9 Å²	41.9	36%	0.364	23%	0.23	S	C	.	.	P	Polyproline II helix	trans	-63.4	159.4	175.5	55.1	0	0	0	0	111.6	R248 G252	R248-S255 PolarHBondContact NH1-O 2.83Å; G252-S255 PolarHBondContact O-N 2.92Å
256	P	95.6	Very high	94	Very high	8 Å²	8	45.9 Å²	45.9	5%	0.052	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-64.9	152.2	174.4	28.9	-35.5	0	0	0	110.9	F170 E246 R248 K249 R269	F170-P256 HydrophobicContact CE1-CB 3.87Å; F170-P256 HydrophobicContact CE1-CG 3.98Å; F170-P256 HydrophobicContact CZ-CB 4.43Å; E246-P256 HydrophobicContact CG-CB 3.6Å; R248-P256 HydrophobicContact CB-CB 4.05Å; K249-P256 WeakPolarHBondContact O-CD 3.36Å; P256-R269 HydrophobicContact CB-CB 4.31Å; P256-R269 HydrophobicContact CB-CG 4.21Å
257	I	96.1	Very high	93.9	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	27%	0.274	C	S	.	.			trans	-111.1	139.6	173.1	58.6	-175.3	0	0	0	111	F170 Q177 M178 E181 V182 F186 E246 I259	F170-I257 VanDerWaalsContact CE1-C 3.49Å; Q177-I257 HydrophobicContact CG-CG2 4.23Å; M178-I257 HydrophobicContact CG-CB 4.36Å; M178-I257 HydrophobicContact CG-CG2 4.42Å; E181-I257 HydrophobicContact CB-CD1 4.02Å; V182-I257 HydrophobicContact CG2-CD1 3.46Å; V182-I257 VanDerWaalsContact CG2-CD1 3.46Å; V182-I257 HydrophobicContact CG2-CG1 4.47Å; F186-I257 HydrophobicContact CE2-CD1 4.15Å; F186-I257 HydrophobicContact CE2-CG1 4.5Å; E246-I257 WeakPolarHBondContact CG-O 3.45Å; E246-I257 VanDerWaalsContact OE2-CG1 3.31Å; E246-I257 WeakPolarHBondContact OE2-CG1 3.31Å; E246-I257 PolarHBondContact OE2-N 3.11Å; I257-I259 HydrophobicContact CD1-CD1 4.49Å; I257-I259 HydrophobicContact CG1-CD1 4.35Å; I257-I259 PolarHBondContact O-N 2.62Å; I257-I259 VanDerWaalsContact O-N 3.15Å
258	P	97.2	Very high	94	Very high	4 Å²	4	46 Å²	46	3%	0.026	26%	0.255	C	S	.	.			trans	-77.8	103.4	-174.9	28.7	-33	0	0	0	111.5	F170 I173 M178 V271 Y468	F170-P258 HydrophobicContact CD1-CB 3.92Å; F170-P258 HydrophobicContact CD1-CG 4.15Å; F170-P258 HydrophobicContact CD2-CB 3.8Å; F170-P258 HydrophobicContact CE1-CB 3.97Å; F170-P258 HydrophobicContact CE1-CG 4.44Å; F170-P258 HydrophobicContact CE2-CB 3.85Å; F170-P258 HydrophobicContact CG-CB 3.83Å; F170-P258 HydrophobicContact CG-CG 4.28Å; F170-P258 HydrophobicContact CZ-CB 3.92Å; I173-P258 HydrophobicContact CB-CG 4.35Å; I173-P258 HydrophobicContact CD1-CB 4.36Å; I173-P258 HydrophobicContact CD1-CG 3.72Å; I173-P258 HydrophobicContact CG1-CG 3.81Å; I173-P258 HydrophobicContact CG2-CG 3.72Å; M178-P258 HydrophobicContact CE-CG 4.16Å; M178-P258 WeakPolarHBondContact CE-O 3.43Å; M178-P258 HydrophobicContact SD-CG 4.01Å; P258-V271 HydrophobicContact CB-CG2 4.29Å; P258-Y468 HydrophobicContact CB-CE2 3.85Å; P258-Y468 HydrophobicContact CG-CE2 4.09Å; P258-Y468 WeakPolarHBondContact CG-OH 3.11Å; P258-Y468 PolarHBondContact O-OH 3.19Å
259	I	98.1	Very high	94	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	132.4	169.9	-53.3	-58	0	0	0	108.8	M178 V182 F186 N239 L245 I257 D270 V271	M178-I259 HydrophobicContact CE-CD1 4.3Å; V182-I259 HydrophobicContact CG1-CD1 4.21Å; V182-I259 HydrophobicContact CG2-CD1 3.68Å; F186-I259 HydrophobicContact CD2-CD1 4.28Å; F186-I259 HydrophobicContact CD2-CG1 4.34Å; F186-I259 HydrophobicContact CE2-CD1 4.29Å; F186-I259 HydrophobicContact CE2-CG1 4.04Å; N239-I259 HydrophobicContact CB-CG2 3.82Å; L245-I259 HydrophobicContact CD1-CG2 4.37Å; I257-I259 HydrophobicContact CD1-CD1 4.49Å; I257-I259 HydrophobicContact CG1-CD1 4.35Å; I257-I259 PolarHBondContact O-N 2.62Å; I257-I259 VanDerWaalsContact O-N 3.15Å; I259-D270 CarbonylContact O-C 3.48Å; I259-D270 VanDerWaalsContact O-CA 3.28Å; I259-D270 WeakPolarHBondContact O-CA 3.32Å; I259-V271 PolarHBondContact O-N 2.85Å
260	I	98.6	Very high	94.3	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	127.7	171.7	-67.4	-173.8	0	0	0	108.9	F236 Y237 V238 N239 V271 L273 V464 Y468	F236-I260 HydrophobicContact CD2-CD1 3.62Å; F236-I260 HydrophobicContact CD2-CG1 4.5Å; F236-I260 HydrophobicContact CE2-CD1 4.12Å; F236-I260 HydrophobicContact CG-CD1 4.31Å; Y237-I260 WeakPolarHBondContact O-CB 3.47Å; Y237-I260 PolarHBondContact O-N 3.2Å; V238-I260 CarbonylContact C-O 3.11Å; V238-I260 WeakPolarHBondContact CA-O 3.16Å; V238-I260 HydrophobicContact CG1-CG2 4.45Å; V238-I260 HydrophobicContact CG2-CB 4.28Å; V238-I260 HydrophobicContact CG2-CG2 4.28Å; N239-I260 PolarHBondContact N-O 2.9Å; I260-V271 CarbonylContact C-O 3.41Å; I260-V271 VanDerWaalsContact CA-O 3.28Å; I260-V271 WeakPolarHBondContact CA-O 3.41Å; I260-V271 HydrophobicContact CG1-CB 4.28Å; I260-L273 HydrophobicContact CD1-CD1 4.37Å; I260-L273 HydrophobicContact CG2-CB 4.27Å; I260-L273 HydrophobicContact CG2-CD1 3.23Å; I260-L273 HydrophobicContact CG2-CG 3.57Å; I260-V464 HydrophobicContact CD1-CG1 4.28Å; I260-Y468 HydrophobicContact CD1-CD2 4.33Å; I260-Y468 HydrophobicContact CD1-CE2 4.45Å; I260-Y468 HydrophobicContact CG1-CD2 4.48Å; I260-Y468 HydrophobicContact CG1-CE2 4.25Å
261	S	98.3	Very high	94.8	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	155.9	179.5	-73.6	0	0	0	0	111.8	N239 C263 D270 V271 V272 L273	N239-S261 VanDerWaalsContact CB-OG 3.3Å; N239-S261 WeakPolarHBondContact CB-OG 3.35Å; N239-S261 PolarHBondContact ND2-OG 2.82Å; S261-C263 VanDerWaalsContact C-N 3.28Å; S261-C263 WeakPolarHBondContact CB-O 3.44Å; S261-C263 PolarHBondContact O-N 3.05Å; S261-D270 WeakPolarHBondContact CB-OD1 3.26Å; S261-D270 PolarHBondContact OG-OD1 3.01Å; S261-V271 PolarHBondContact N-O 2.53Å; S261-V272 WeakPolarHBondContact O-CA 3.18Å; S261-L273 PolarHBondContact O-N 2.74Å
262	W	96.8	Very high	95.3	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.015	17%	0.168	C	C	.	.	S	Bend	trans	-71.3	-24.2	174.5	-54.9	116.5	0	0	0	113.2	V238 N239 L240 P274 T275 Y276 Y380	V238-W262 HydrophobicContact CG1-CZ2 4.48Å; N239-W262 PolarHBondContact O-NE1 3.08Å; L240-W262 HydrophobicContact CD2-CZ2 4.34Å; W262-P274 VanDerWaalsContact CZ3-O 3.24Å; W262-P274 WeakPolarHBondContact CZ3-O 3.31Å; W262-T275 HydrophobicContact CB-CG2 4.46Å; W262-T275 VanDerWaalsContact O-CG2 3.31Å; W262-T275 WeakPolarHBondContact O-CG2 3.48Å; W262-Y276 HydrophobicContact CD2-CD1 4.35Å; W262-Y276 VanDerWaalsContact CE3-N 3.31Å; W262-Y276 HydrophobicContact CG-CD1 4.18Å; W262-Y380 WeakPolarHBondContact CB-OH 3.44Å
263	C	97.3	Very high	96	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.007	16%	0.157	C	C	.	.			trans	-139.5	138.5	-179.1	-173.6	0	0	0	0	109.7	P244 S261 V377 Y380 Y400	P244-C263 WeakPolarHBondContact CB-O 3.15Å; S261-C263 VanDerWaalsContact C-N 3.28Å; S261-C263 WeakPolarHBondContact CB-O 3.44Å; S261-C263 PolarHBondContact O-N 3.05Å; C263-V377 HydrophobicContact CB-CB 4.29Å; C263-V377 HydrophobicContact CB-CG2 3.93Å; C263-Y380 HydrophobicContact CB-CE1 4.41Å; C263-Y400 PolarHBondContact SG-O 3.3Å; C263-Y400 VanDerWaalsContact SG-O 3.35Å
264	G	97.6	Very high	96.5	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	169.7	171.2	0	0	0	0	0	111.7	Y399 Y400	G264-Y399 VanDerWaalsContact O-CA 3.31Å; G264-Y399 WeakPolarHBondContact O-CA 3.4Å; G264-Y400 PolarHBondContact N-O 2.74Å; G264-Y400 PolarHBondContact O-N 2.66Å
265	S	97.4	Very high	97.1	Very high	2 Å²	2	18.3 Å²	18.3	1%	0.014	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	161.1	173.1	66.6	0	0	0	0	112.3	P244 D267 S268 P398 Y400	P244-S265 WeakPolarHBondContact CG-OG 3.47Å; S265-D267 VanDerWaalsContact CB-OD1 3.23Å; S265-D267 WeakPolarHBondContact CB-OD1 3.44Å; S265-D267 PolarHBondContact O-N 3.45Å; S265-D267 VanDerWaalsContact O-N 3.13Å; S265-D267 PolarHBondContact OG-OD1 3.04Å; S265-S268 WeakPolarHBondContact CA-OG 3.45Å; S265-S268 PolarHBondContact N-OG 2.98Å; S265-S268 PolarHBondContact O-N 3.42Å; S265-S268 PolarHBondContact O-OG 2.93Å; S265-S268 VanDerWaalsContact OG-CB 3.26Å; S265-S268 WeakPolarHBondContact OG-CB 3.22Å; S265-S268 PolarHBondContact OG-N 2.8Å; S265-S268 PolarHBondContact OG-OG 3.46Å; S265-P398 CarbonylContact C-O 3.6Å; S265-P398 WeakPolarHBondContact CA-O 3.46Å; S265-Y400 WeakPolarHBondContact O-CE1 3.48Å
266	L	95.9	Very high	97.3	Very high	124 Å²	124	18 Å²	18	65%	0.649	9%	0.087	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-21.2	179.2	-64.4	-178.4	0	0	0	113.6	P398	L266-P398 HydrophobicContact CD1-CB 4.42Å; L266-P398 HydrophobicContact CG-CB 4.38Å; L266-P398 PolarHBondContact N-O 2.89Å
267	D	95.6	Very high	97.3	Very high	92 Å²	92	20.6 Å²	20.6	49%	0.492	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.6	5.3	-178.8	66	-21.9	0	0	0	113.9	H247 S265	H247-D267 IonicContact CE1-OD1 3.6Å; H247-D267 IonicContact CE1-OD2 3.2Å; H247-D267 PolarHBondContact ND1-O 3.07Å; H247-D267 IonicContact ND1-OD1 3.63Å; H247-D267 IonicContact ND1-OD2 2.75Å; S265-D267 VanDerWaalsContact CB-OD1 3.23Å; S265-D267 WeakPolarHBondContact CB-OD1 3.44Å; S265-D267 PolarHBondContact O-N 3.45Å; S265-D267 VanDerWaalsContact O-N 3.13Å; S265-D267 PolarHBondContact OG-OD1 3.04Å
268	S	96.9	Very high	97.3	Very high	4 Å²	4	20.5 Å²	20.5	3%	0.028	10%	0.1	C	C	.	.			trans	-111.2	170.6	173.8	58.5	0	0	0	0	112.3	P244 E246 S265 D270	P244-S268 WeakPolarHBondContact CB-OG 3.46Å; E246-S268 CarbonylContact O-C 3.33Å; E246-S268 VanDerWaalsContact O-CA 3.26Å; E246-S268 WeakPolarHBondContact O-CA 3.36Å; S265-S268 WeakPolarHBondContact CA-OG 3.45Å; S265-S268 PolarHBondContact N-OG 2.98Å; S265-S268 PolarHBondContact O-N 3.42Å; S265-S268 PolarHBondContact O-OG 2.93Å; S265-S268 VanDerWaalsContact OG-CB 3.26Å; S265-S268 WeakPolarHBondContact OG-CB 3.22Å; S265-S268 PolarHBondContact OG-N 2.8Å; S265-S268 PolarHBondContact OG-OG 3.46Å; S268-D270 WeakPolarHBondContact CB-OD2 3.36Å
269	R	97.1	Very high	97.3	Very high	81 Å²	81	20.5 Å²	20.5	31%	0.306	10%	0.1	S	C	.	.			trans	-123.8	10.6	-179.5	-54	-64.4	158.3	-176.4	-10.3	112.2	S169 F170 E246 R248 P256	S169-R269 WeakPolarHBondContact OG-CD 3.49Å; F170-R269 HydrophobicContact CE2-CB 4.43Å; F170-R269 WeakPolarHBondContact CE2-O 3.41Å; F170-R269 HydrophobicContact CZ-CB 3.79Å; F170-R269 WeakPolarHBondContact CZ-O 3.49Å; E246-R269 HydrophobicContact CB-CB 4.4Å; E246-R269 HydrophobicContact CG-CB 4.09Å; E246-R269 PolarHBondContact O-N 2.99Å; R248-R269 VanDerWaalsContact O-CG 3.31Å; R248-R269 WeakPolarHBondContact O-CG 3.38Å; P256-R269 HydrophobicContact CB-CB 4.31Å; P256-R269 HydrophobicContact CB-CG 4.21Å
270	D	98.3	Very high	97.2	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	P	Polyproline II helix	trans	-57.9	143.5	177.7	-62.7	-127.4	0	0	0	111.1	P244 L245 E246 I259 S261 S268	P244-D270 HydrophobicContact CB-CB 4.23Å; L245-D270 VanDerWaalsContact N-CG 3.33Å; L245-D270 PolarHBondContact N-OD1 2.76Å; L245-D270 PolarHBondContact N-OD2 2.9Å; E246-D270 PolarHBondContact N-OD2 2.85Å; I259-D270 CarbonylContact O-C 3.48Å; I259-D270 VanDerWaalsContact O-CA 3.28Å; I259-D270 WeakPolarHBondContact O-CA 3.32Å; S261-D270 WeakPolarHBondContact CB-OD1 3.26Å; S261-D270 PolarHBondContact OG-OD1 3.01Å; S268-D270 WeakPolarHBondContact CB-OD2 3.36Å
271	V	98.6	Very high	97.1	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	119.4	172.4	178.6	0	0	0	0	107.9	D166 F167 F170 P258 I259 I260 S261 V464	D166-V271 HydrophobicContact CB-CB 4.45Å; D166-V271 HydrophobicContact CB-CG1 4.34Å; D166-V271 HydrophobicContact CB-CG2 4.31Å; F167-V271 HydrophobicContact CD2-CG1 4.45Å; F167-V271 HydrophobicContact CE1-CG2 4.34Å; F167-V271 HydrophobicContact CE2-CG1 3.7Å; F167-V271 HydrophobicContact CE2-CG2 4.4Å; F167-V271 HydrophobicContact CZ-CG1 3.93Å; F167-V271 HydrophobicContact CZ-CG2 4.21Å; F170-V271 HydrophobicContact CD2-CG2 4.32Å; F170-V271 HydrophobicContact CE2-CG2 4.1Å; P258-V271 HydrophobicContact CB-CG2 4.29Å; I259-V271 PolarHBondContact O-N 2.85Å; I260-V271 CarbonylContact C-O 3.41Å; I260-V271 VanDerWaalsContact CA-O 3.28Å; I260-V271 WeakPolarHBondContact CA-O 3.41Å; I260-V271 HydrophobicContact CG1-CB 4.28Å; S261-V271 PolarHBondContact N-O 2.53Å; V271-V464 HydrophobicContact CG1-CG1 3.71Å
272	V	98.3	Very high	97.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	125.8	-169.9	-175.4	0	0	0	0	111.1	D166 S261 Y400 H402 Y460	D166-V272 PolarHBondContact OD2-N 2.93Å; S261-V272 WeakPolarHBondContact O-CA 3.18Å; V272-Y400 HydrophobicContact CG2-CD2 4.25Å; V272-Y400 HydrophobicContact CG2-CE2 3.63Å; V272-H402 HydrophobicContact CG1-CB 4.16Å; V272-Y460 VanDerWaalsContact O-CE1 3.27Å; V272-Y460 WeakPolarHBondContact O-CE1 3.45Å; V272-Y460 PolarHBondContact O-OH 3.42Å; V272-Y460 VanDerWaalsContact O-OH 3.08Å
273	L	97.9	Very high	97	Very high	9 Å²	9	23.7 Å²	23.7	5%	0.047	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-98.4	161.5	168.1	-77.8	179.3	0	0	0	111.9	I260 S261 T275 Y460 Y461 V464	I260-L273 HydrophobicContact CD1-CD1 4.37Å; I260-L273 HydrophobicContact CG2-CB 4.27Å; I260-L273 HydrophobicContact CG2-CD1 3.23Å; I260-L273 HydrophobicContact CG2-CG 3.57Å; S261-L273 PolarHBondContact O-N 2.74Å; L273-T275 PolarHBondContact O-N 3.1Å; L273-Y460 HydrophobicContact CD2-CE1 4.47Å; L273-Y461 HydrophobicContact CB-CE1 4.28Å; L273-Y461 HydrophobicContact CD1-CD1 3.98Å; L273-Y461 HydrophobicContact CD1-CE1 3.63Å; L273-Y461 HydrophobicContact CD2-CD1 3.72Å; L273-Y461 HydrophobicContact CD2-CE1 3.96Å; L273-Y461 HydrophobicContact CD2-CG 4.26Å; L273-Y461 HydrophobicContact CG-CD1 4.41Å; L273-Y461 HydrophobicContact CG-CE1 4.19Å; L273-V464 HydrophobicContact CD2-CB 3.83Å; L273-V464 HydrophobicContact CD2-CG1 3.82Å; L273-V464 HydrophobicContact CD2-CG2 3.91Å; L273-V464 HydrophobicContact CG-CG1 4.48Å
274	P	98	Very high	97	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-51.2	133.6	164.7	-25.1	35.9	0	0	0	110	W262 I278 T279 L457 Y460 Y461	W262-P274 VanDerWaalsContact CZ3-O 3.24Å; W262-P274 WeakPolarHBondContact CZ3-O 3.31Å; P274-I278 HydrophobicContact CB-CD1 3.7Å; P274-I278 HydrophobicContact CB-CG1 3.96Å; P274-T279 PolarHBondContact O-OG1 2.74Å; P274-L457 HydrophobicContact CB-CG 4.32Å; P274-L457 HydrophobicContact CG-CG 4.38Å; P274-Y460 HydrophobicContact CG-CD1 3.93Å; P274-Y460 HydrophobicContact CG-CG 4.47Å; P274-Y461 HydrophobicContact CB-CD2 4.46Å; P274-Y461 HydrophobicContact CB-CE2 3.68Å; P274-Y461 HydrophobicContact CG-CD2 3.83Å; P274-Y461 HydrophobicContact CG-CE2 3.52Å; P274-Y461 PolarHBondContact O-OH 2.8Å; P274-Y461 VanDerWaalsContact O-OH 3.08Å
275	T	97.4	Very high	96.9	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	12%	0.121	C	C	.	.	P	Polyproline II helix	trans	-58.2	155	-174.1	56.4	0	0	0	0	111.9	W262 L273 D277 I278 T279 Y380 E401	W262-T275 HydrophobicContact CB-CG2 4.46Å; W262-T275 VanDerWaalsContact O-CG2 3.31Å; W262-T275 WeakPolarHBondContact O-CG2 3.48Å; L273-T275 PolarHBondContact O-N 3.1Å; T275-D277 PolarHBondContact O-N 3.4Å; T275-D277 VanDerWaalsContact O-N 3.1Å; T275-I278 WeakPolarHBondContact O-CG1 3.29Å; T275-I278 PolarHBondContact O-N 2.85Å; T275-I278 WeakPolarHBondContact OG1-CG1 3.31Å; T275-T279 VanDerWaalsContact O-CB 3.31Å; T275-T279 WeakPolarHBondContact O-CB 2.98Å; T275-T279 PolarHBondContact O-N 3.19Å; T275-T279 PolarHBondContact O-OG1 2.86Å; T275-Y380 HydrophobicContact CG2-CD1 3.54Å; T275-Y380 HydrophobicContact CG2-CD2 4.39Å; T275-Y380 HydrophobicContact CG2-CE1 3.33Å; T275-Y380 HydrophobicContact CG2-CE2 4.22Å; T275-Y380 HydrophobicContact CG2-CG 4.08Å; T275-E401 HydrophobicContact CG2-CG 3.98Å; T275-E401 WeakPolarHBondContact CG2-OE2 3.15Å
276	Y	96	Very high	96.7	Very high	47 Å²	47	25.6 Å²	25.6	18%	0.184	13%	0.125	C	C	.	.	H	α-helix	trans	-55.1	-32.2	177.1	67	-104.1	0	0	0	111.6	F214 F217 W262 H280 Y380	F214-Y276 HydrophobicContact CD1-CD1 4.37Å; F214-Y276 HydrophobicContact CD1-CE1 4.32Å; F214-Y276 HydrophobicContact CE1-CE1 4.16Å; F214-Y276 HydrophobicContact CE1-CE2 4.18Å; F214-Y276 AromaticContact CE1-CZ 3.97Å; F217-Y276 HydrophobicContact CD2-CD2 4.07Å; F217-Y276 HydrophobicContact CD2-CG 4.08Å; F217-Y276 AromaticContact CE2-CD2 3.97Å; F217-Y276 HydrophobicContact CE2-CD2 3.97Å; F217-Y276 HydrophobicContact CE2-CG 4.41Å; F217-Y276 HydrophobicContact CG-CD2 4.44Å; F217-Y276 HydrophobicContact CG-CG 4.42Å; F217-Y276 HydrophobicContact CZ-CD2 4.25Å; W262-Y276 HydrophobicContact CD2-CD1 4.35Å; W262-Y276 VanDerWaalsContact CE3-N 3.31Å; W262-Y276 HydrophobicContact CG-CD1 4.18Å; Y276-H280 WeakPolarHBondContact O-CB 3.42Å; Y276-H280 PolarHBondContact O-N 3.26Å; Y276-Y380 HydrophobicContact CD1-CE2 4.21Å; Y276-Y380 HydrophobicContact CE1-CD2 4.15Å; Y276-Y380 AromaticContact CE1-CE2 3.58Å; Y276-Y380 HydrophobicContact CE1-CE2 3.58Å
277	D	95.4	Very high	96.3	Very high	61 Å²	61	26.4 Å²	26.4	33%	0.326	12%	0.12	S	C	.	.	H	α-helix	trans	-69.5	-50.3	-177.4	-170.8	85.4	0	0	0	112.3	T275 T279 H280 S281 Y384	T275-D277 PolarHBondContact O-N 3.4Å; T275-D277 VanDerWaalsContact O-N 3.1Å; D277-T279 VanDerWaalsContact C-N 3.28Å; D277-T279 PolarHBondContact O-N 3.38Å; D277-H280 PolarHBondContact O-N 3.48Å; D277-S281 WeakPolarHBondContact O-CB 3.43Å; D277-S281 PolarHBondContact O-N 2.99Å; D277-Y384 PolarHBondContact O-OH 3.09Å; D277-Y384 WeakPolarHBondContact OD2-CE2 3.24Å; D277-Y384 PolarHBondContact OD2-OH 3.1Å
278	I	97.1	Very high	95.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-71.4	-25.8	177	66.9	-179.1	0	0	0	112.6	P274 T275 T282 L293 P383 Y384 H402 L457	P274-I278 HydrophobicContact CB-CD1 3.7Å; P274-I278 HydrophobicContact CB-CG1 3.96Å; T275-I278 WeakPolarHBondContact O-CG1 3.29Å; T275-I278 PolarHBondContact O-N 2.85Å; T275-I278 WeakPolarHBondContact OG1-CG1 3.31Å; I278-T282 WeakPolarHBondContact O-CB 3.34Å; I278-T282 PolarHBondContact O-N 3.43Å; I278-T282 VanDerWaalsContact O-N 3.07Å; I278-T282 PolarHBondContact O-OG1 2.58Å; I278-L293 HydrophobicContact CB-CD1 4.27Å; I278-L293 HydrophobicContact CB-CD2 4.4Å; I278-L293 HydrophobicContact CG2-CD2 4.1Å; I278-P383 HydrophobicContact CG2-CB 4.15Å; I278-P383 HydrophobicContact CG2-CG 3.72Å; I278-Y384 HydrophobicContact CG2-CE2 4.05Å; I278-H402 WeakPolarHBondContact CD1-CE1 3.5Å; I278-L457 HydrophobicContact CB-CD2 4.43Å; I278-L457 HydrophobicContact CD1-CD2 4.35Å; I278-L457 HydrophobicContact CG1-CD2 4.18Å
279	T	96.8	Very high	95.6	Very high	3 Å²	3	26 Å²	26	2%	0.018	13%	0.132	C	C	.	.	H	α-helix	trans	-68.8	-51.6	173.7	-58	0	0	0	0	110.2	I221 P274 T275 D277 S281 T282 L283 Y461	I221-T279 HydrophobicContact CB-CG2 3.61Å; I221-T279 HydrophobicContact CD1-CG2 4.2Å; I221-T279 HydrophobicContact CG1-CG2 3.9Å; I221-T279 HydrophobicContact CG2-CG2 4.02Å; P274-T279 PolarHBondContact O-OG1 2.74Å; T275-T279 VanDerWaalsContact O-CB 3.31Å; T275-T279 WeakPolarHBondContact O-CB 2.98Å; T275-T279 PolarHBondContact O-N 3.19Å; T275-T279 PolarHBondContact O-OG1 2.86Å; D277-T279 VanDerWaalsContact C-N 3.28Å; D277-T279 PolarHBondContact O-N 3.38Å; T279-S281 VanDerWaalsContact C-N 3.34Å; T279-S281 PolarHBondContact O-N 3.49Å; T279-T282 WeakPolarHBondContact O-CB 3.5Å; T279-T282 PolarHBondContact O-N 2.85Å; T279-T282 VanDerWaalsContact O-N 3.08Å; T279-L283 HydrophobicContact CG2-CD1 4.11Å; T279-L283 WeakPolarHBondContact O-CG 3.49Å; T279-L283 PolarHBondContact O-N 2.87Å; T279-Y461 HydrophobicContact CG2-CE2 4.19Å; T279-Y461 WeakPolarHBondContact CG2-OH 3.36Å; T279-Y461 PolarHBondContact OG1-OH 3.04Å
280	H	96.6	Very high	95.1	Very high	52 Å²	52	27.1 Å²	27.1	24%	0.241	15%	0.148	C	C	.	.	H	α-helix	trans	-62.2	-42.2	176.1	-171.6	70.5	0	0	0	111.5	F217 E220 Y276 D277 T282 L283 E284	F217-H280 HydrophobicContact CD1-CB 3.98Å; F217-H280 AromaticContact CD1-ND1 3.98Å; F217-H280 HydrophobicContact CE1-CB 3.98Å; F217-H280 AromaticContact CE1-CG 3.79Å; F217-H280 AromaticContact CE1-ND1 3.73Å; E220-H280 IonicContact OE2-ND1 3.46Å; E220-H280 PolarHBondContact OE2-ND1 3.03Å; Y276-H280 WeakPolarHBondContact O-CB 3.42Å; Y276-H280 PolarHBondContact O-N 3.26Å; D277-H280 PolarHBondContact O-N 3.48Å; H280-T282 PolarHBondContact O-N 2.83Å; H280-L283 PolarHBondContact O-N 3.06Å; H280-E284 VanDerWaalsContact CE1-CG 3.4Å; H280-E284 WeakPolarHBondContact CE1-CG 3.37Å; H280-E284 VanDerWaalsContact O-CB 3.31Å; H280-E284 WeakPolarHBondContact O-CB 3.4Å; H280-E284 PolarHBondContact O-N 2.69Å
281	S	96.6	Very high	94.8	Very high	1 Å²	1	30 Å²	30	1%	0.007	16%	0.163	C	C	.	.	H	α-helix	trans	-52.3	-40.6	171.1	176.1	0	0	0	0	112.8	D277 T279 A285 D292 L293 Y384	D277-S281 WeakPolarHBondContact O-CB 3.43Å; D277-S281 PolarHBondContact O-N 2.99Å; T279-S281 VanDerWaalsContact C-N 3.34Å; T279-S281 PolarHBondContact O-N 3.49Å; S281-A285 VanDerWaalsContact O-CB 3.3Å; S281-A285 WeakPolarHBondContact O-CB 3.4Å; S281-A285 PolarHBondContact O-N 2.92Å; S281-A285 VanDerWaalsContact O-N 3.13Å; S281-D292 WeakPolarHBondContact OG-CA 3.36Å; S281-L293 PolarHBondContact OG-N 3.39Å; S281-Y384 VanDerWaalsContact CB-OH 3.29Å; S281-Y384 WeakPolarHBondContact CB-OH 3.44Å; S281-Y384 PolarHBondContact OG-OH 3.13Å
282	T	96.6	Very high	94.6	Very high	10 Å²	10	30 Å²	30	6%	0.061	16%	0.164	C	C	.	.	H	α-helix	trans	-71.8	-42.1	177.9	-64.3	0	0	0	0	112.9	I278 T279 H280 P454 L457 Y458	I278-T282 WeakPolarHBondContact O-CB 3.34Å; I278-T282 PolarHBondContact O-N 3.43Å; I278-T282 VanDerWaalsContact O-N 3.07Å; I278-T282 PolarHBondContact O-OG1 2.58Å; T279-T282 WeakPolarHBondContact O-CB 3.5Å; T279-T282 PolarHBondContact O-N 2.85Å; T279-T282 VanDerWaalsContact O-N 3.08Å; H280-T282 PolarHBondContact O-N 2.83Å; T282-P454 HydrophobicContact CG2-CB 3.84Å; T282-L457 WeakPolarHBondContact OG1-CD2 3.47Å; T282-Y458 HydrophobicContact CG2-CE2 4.07Å
283	L	96.4	Very high	94.6	Very high	11 Å²	11	30.1 Å²	30.1	6%	0.058	16%	0.164	C	C	.	.	H	α-helix	trans	-73.9	-39.3	-177.3	-66.5	170.3	0	0	0	112.4	P46 R105 E220 I221 T279 H280 Y458	P46-L283 WeakPolarHBondContact CB-O 3.33Å; P46-L283 HydrophobicContact CG-CD2 3.92Å; R105-L283 PolarHBondContact NH1-O 3.08Å; E220-L283 HydrophobicContact CB-CD1 3.82Å; I221-L283 HydrophobicContact CB-CD1 4.25Å; I221-L283 HydrophobicContact CD1-CD1 4.43Å; I221-L283 HydrophobicContact CD1-CD2 4.29Å; T279-L283 HydrophobicContact CG2-CD1 4.11Å; T279-L283 WeakPolarHBondContact O-CG 3.49Å; T279-L283 PolarHBondContact O-N 2.87Å; H280-L283 PolarHBondContact O-N 3.06Å; L283-Y458 WeakPolarHBondContact CD2-OH 3.45Å
284	E	95.9	Very high	94.5	Very high	16 Å²	16	29.8 Å²	29.8	8%	0.075	16%	0.163	C	C	.	.	H	α-helix	trans	-103	5	-171.6	-66.8	-60.1	135.5	0	0	114.4	H280 M286 R287 G288 V289	H280-E284 VanDerWaalsContact CE1-CG 3.4Å; H280-E284 WeakPolarHBondContact CE1-CG 3.37Å; H280-E284 VanDerWaalsContact O-CB 3.31Å; H280-E284 WeakPolarHBondContact O-CB 3.4Å; H280-E284 PolarHBondContact O-N 2.69Å; E284-M286 PolarHBondContact O-N 3.23Å; E284-R287 PolarHBondContact O-N 3.01Å; E284-R287 IonicContact OE1-CZ 3.93Å; E284-R287 VanDerWaalsContact OE1-CZ 3.31Å; E284-R287 IonicContact OE1-NE 2.65Å; E284-R287 PolarHBondContact OE1-NE 3.3Å; E284-R287 IonicContact OE1-NH2 3.38Å; E284-R287 PolarHBondContact OE1-NH2 3.04Å; E284-R287 IonicContact OE2-CZ 3.92Å; E284-R287 VanDerWaalsContact OE2-CZ 3.29Å; E284-R287 IonicContact OE2-NE 3.23Å; E284-R287 PolarHBondContact OE2-NE 2.91Å; E284-R287 IonicContact OE2-NH2 2.85Å; E284-R287 PolarHBondContact OE2-NH2 3.48Å; E284-R287 VanDerWaalsContact OE2-NH2 3.08Å; E284-G288 PolarHBondContact O-N 3.14Å; E284-V289 HydrophobicContact CB-CB 4.24Å; E284-V289 HydrophobicContact CB-CG2 3.66Å; E284-V289 PolarHBondContact O-N 3.16Å
285	A	95.4	Very high	94.4	Very high	3 Å²	3	30 Å²	30	3%	0.025	16%	0.164	C	C	.	.	B	Isolated β-bridge	trans	-50.4	133.6	170.3	0	0	0	0	0	110.6	V47 R105 S281 R287 D292	V47-A285 HydrophobicContact CB-CB 4.37Å; V47-A285 HydrophobicContact CG2-CB 3.66Å; V47-A285 WeakPolarHBondContact CG2-O 3.34Å; R105-A285 PolarHBondContact NH1-O 2.91Å; S281-A285 VanDerWaalsContact O-CB 3.3Å; S281-A285 WeakPolarHBondContact O-CB 3.4Å; S281-A285 PolarHBondContact O-N 2.92Å; S281-A285 VanDerWaalsContact O-N 3.13Å; A285-R287 PolarHBondContact O-N 3.16Å; A285-R287 VanDerWaalsContact O-N 3.16Å; A285-D292 HydrophobicContact CB-CB 3.93Å
286	M	92.9	Very high	94.4	Very high	23 Å²	23	30 Å²	30	11%	0.113	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	16.8	-177.1	-56.7	171	52.6	0	0	115.2	V47 H88 P90 R103 R105 E284	V47-M286 HydrophobicContact CB-SD 4.44Å; V47-M286 HydrophobicContact CG1-SD 3.51Å; V47-M286 VanDerWaalsContact CG1-SD 3.51Å; V47-M286 HydrophobicContact CG2-CB 4.19Å; V47-M286 HydrophobicContact CG2-CG 4.2Å; V47-M286 HydrophobicContact CG2-SD 4Å; H88-M286 WeakPolarHBondContact CD2-CE 3.3Å; P90-M286 HydrophobicContact CG-CE 3.55Å; P90-M286 HydrophobicContact CG-SD 4.29Å; R103-M286 HydrophobicContact CB-SD 3.73Å; R103-M286 WeakPolarHBondContact CD-SD 3.34Å; R103-M286 HydrophobicContact CG-CE 4.41Å; R103-M286 HydrophobicContact CG-SD 3.53Å; R103-M286 VanDerWaalsContact CG-SD 3.53Å; R103-M286 VanDerWaalsContact NH1-CG 3.31Å; R105-M286 HydrophobicContact CB-CE 4.2Å; E284-M286 PolarHBondContact O-N 3.23Å
287	R	88.5	Confident	94.4	Very high	142 Å²	142	28 Å²	28	54%	0.536	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	-74.1	171.4	-166.9	176.5	85.8	152.9	3.5	110.7	Y140 E284 A285	Y140-R287 PolarHBondContact OH-NH1 3.16Å; Y140-R287 VanDerWaalsContact OH-NH1 3.1Å; E284-R287 PolarHBondContact O-N 3.01Å; E284-R287 IonicContact OE1-CZ 3.93Å; E284-R287 VanDerWaalsContact OE1-CZ 3.31Å; E284-R287 IonicContact OE1-NE 2.65Å; E284-R287 PolarHBondContact OE1-NE 3.3Å; E284-R287 IonicContact OE1-NH2 3.38Å; E284-R287 PolarHBondContact OE1-NH2 3.04Å; E284-R287 IonicContact OE2-CZ 3.92Å; E284-R287 VanDerWaalsContact OE2-CZ 3.29Å; E284-R287 IonicContact OE2-NE 3.23Å; E284-R287 PolarHBondContact OE2-NE 2.91Å; E284-R287 IonicContact OE2-NH2 2.85Å; E284-R287 PolarHBondContact OE2-NH2 3.48Å; E284-R287 VanDerWaalsContact OE2-NH2 3.08Å; A285-R287 PolarHBondContact O-N 3.16Å; A285-R287 VanDerWaalsContact O-N 3.16Å
288	G	86.6	Confident	94.3	Very high	59 Å²	59	25.8 Å²	25.8	61%	0.608	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.7	-19.8	-176.8	0	0	0	0	0	114.8	E284	E284-G288 PolarHBondContact O-N 3.14Å
289	V	90.6	Very high	94.2	Very high	29 Å²	29	28.5 Å²	28.5	18%	0.176	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-111.9	121.2	-176.1	179.4	0	0	0	0	110.4	E284 D292	E284-V289 HydrophobicContact CB-CB 4.24Å; E284-V289 HydrophobicContact CB-CG2 3.66Å; E284-V289 PolarHBondContact O-N 3.16Å; V289-D292 HydrophobicContact CG1-CB 4.06Å
290	T	86.9	Confident	94	Very high	104 Å²	104	28.4 Å²	28.4	64%	0.638	16%	0.162	S	C	*	.	S	Bend	trans	-93.1	-35	178	52.3	0	0	0	0	112.9	D292 S295	T290-D292 PolarHBondContact O-N 3.08Å; T290-D292 VanDerWaalsContact O-N 3.11Å; T290-S295 WeakPolarHBondContact O-CB 3.34Å; T290-S295 PolarHBondContact O-OG 3.08Å
291	N	91.5	Very high	93.7	Very high	59 Å²	59	27.5 Å²	27.5	32%	0.316	17%	0.167	S	C	.	.	S	Bend	trans	-86.8	50.7	175.6	-62.7	-30.1	0	0	0	110.7	F362 Y384	N291-F362 WeakPolarHBondContact OD1-CE1 3.44Å; N291-F362 WeakPolarHBondContact OD1-CZ 3.33Å; N291-Y384 VanDerWaalsContact O-CE1 3.27Å; N291-Y384 WeakPolarHBondContact O-CE1 3.45Å
292	D	95.6	Very high	93.4	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.005	18%	0.181	C	C	.	.			trans	-84.3	163	-178.4	71.4	77.3	0	0	0	113.1	R103 S281 A285 V289 T290 L294 S295 I296	R103-D292 IonicContact NH1-OD2 2.78Å; R103-D292 PolarHBondContact NH1-OD2 3.43Å; S281-D292 WeakPolarHBondContact OG-CA 3.36Å; A285-D292 HydrophobicContact CB-CB 3.93Å; V289-D292 HydrophobicContact CG1-CB 4.06Å; T290-D292 PolarHBondContact O-N 3.08Å; T290-D292 VanDerWaalsContact O-N 3.11Å; D292-L294 PolarHBondContact O-N 2.86Å; D292-L294 VanDerWaalsContact O-N 3.09Å; D292-L294 WeakPolarHBondContact OD1-CA 3.23Å; D292-L294 VanDerWaalsContact OD1-CB 3.29Å; D292-L294 WeakPolarHBondContact OD1-CB 3.04Å; D292-L294 PolarHBondContact OD1-N 2.87Å; D292-S295 VanDerWaalsContact CG-OG 3.3Å; D292-S295 PolarHBondContact O-N 2.86Å; D292-S295 VanDerWaalsContact O-N 3.13Å; D292-S295 PolarHBondContact OD1-N 3.28Å; D292-S295 PolarHBondContact OD1-OG 3.06Å; D292-S295 VanDerWaalsContact OD2-CB 3.3Å; D292-S295 WeakPolarHBondContact OD2-CB 3.34Å; D292-S295 PolarHBondContact OD2-OG 2.77Å; D292-I296 WeakPolarHBondContact O-CG1 3.49Å; D292-I296 PolarHBondContact O-N 2.95Å; D292-I296 VanDerWaalsContact O-N 3.1Å
293	L	97.2	Very high	93.2	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-28.2	-177.3	-62.6	174.2	0	0	0	113.7	I278 S281 Q297 Y384 L387 L457	I278-L293 HydrophobicContact CB-CD1 4.27Å; I278-L293 HydrophobicContact CB-CD2 4.4Å; I278-L293 HydrophobicContact CG2-CD2 4.1Å; S281-L293 PolarHBondContact OG-N 3.39Å; L293-Q297 PolarHBondContact O-NE2 2.86Å; L293-Q297 VanDerWaalsContact O-NE2 3.12Å; L293-Y384 HydrophobicContact CD2-CD1 4.1Å; L293-Y384 HydrophobicContact CD2-CE1 3.74Å; L293-Y384 HydrophobicContact CG-CE1 4.36Å; L293-L387 HydrophobicContact CB-CD1 4.02Å; L293-L387 HydrophobicContact CD2-CD1 3.56Å; L293-L387 HydrophobicContact CG-CD1 4.4Å; L293-L457 HydrophobicContact CD1-CD2 4Å
294	L	97.3	Very high	93.2	Very high	3 Å²	3	32.3 Å²	32.3	2%	0.016	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-44.7	177.6	-59.8	174.3	0	0	0	110.7	V47 Y49 L93 L101 D292 I296 Q297 P454	V47-L294 HydrophobicContact CB-CD1 4.41Å; V47-L294 HydrophobicContact CG1-CD1 3.89Å; Y49-L294 HydrophobicContact CD1-CD1 4.16Å; Y49-L294 HydrophobicContact CD1-CD2 4.34Å; Y49-L294 HydrophobicContact CD2-CD2 4.25Å; Y49-L294 HydrophobicContact CG-CD1 4.26Å; Y49-L294 HydrophobicContact CG-CD2 4.15Å; L93-L294 WeakPolarHBondContact CD1-O 3.04Å; L101-L294 HydrophobicContact CD2-CB 3.9Å; L101-L294 HydrophobicContact CD2-CD2 3.94Å; L101-L294 WeakPolarHBondContact CD2-O 3.33Å; D292-L294 PolarHBondContact O-N 2.86Å; D292-L294 VanDerWaalsContact O-N 3.09Å; D292-L294 WeakPolarHBondContact OD1-CA 3.23Å; D292-L294 VanDerWaalsContact OD1-CB 3.29Å; D292-L294 WeakPolarHBondContact OD1-CB 3.04Å; D292-L294 PolarHBondContact OD1-N 2.87Å; L294-I296 VanDerWaalsContact C-N 3.31Å; L294-I296 PolarHBondContact O-N 3.28Å; L294-Q297 WeakPolarHBondContact O-CB 3.05Å; L294-Q297 PolarHBondContact O-N 3.14Å; L294-P454 HydrophobicContact CD1-CG 4.17Å; L294-P454 HydrophobicContact CD2-CG 3.97Å; L294-P454 HydrophobicContact CG-CG 4.11Å
295	S	95.9	Very high	93.1	Very high	4 Å²	4	37.4 Å²	37.4	3%	0.028	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-58	-39.7	-179.8	-71.8	0	0	0	0	113.1	R103 T290 D292 Q297 G298 N299	R103-S295 PolarHBondContact NH1-OG 2.9Å; R103-S295 PolarHBondContact NH2-OG 2.04Å; T290-S295 WeakPolarHBondContact O-CB 3.34Å; T290-S295 PolarHBondContact O-OG 3.08Å; D292-S295 VanDerWaalsContact CG-OG 3.3Å; D292-S295 PolarHBondContact O-N 2.86Å; D292-S295 VanDerWaalsContact O-N 3.13Å; D292-S295 PolarHBondContact OD1-N 3.28Å; D292-S295 PolarHBondContact OD1-OG 3.06Å; D292-S295 VanDerWaalsContact OD2-CB 3.3Å; D292-S295 WeakPolarHBondContact OD2-CB 3.34Å; D292-S295 PolarHBondContact OD2-OG 2.77Å; S295-Q297 PolarHBondContact O-N 2.92Å; S295-G298 PolarHBondContact O-N 3.06Å; S295-N299 PolarHBondContact O-N 3.05Å; S295-N299 PolarHBondContact O-ND2 2.74Å
296	I	96.8	Very high	93.1	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-56.6	-37.4	180	-68	-71.1	0	0	0	112.1	D292 L294 G298 N299 T300 F361 F362 F365 Y384 L387	D292-I296 WeakPolarHBondContact O-CG1 3.49Å; D292-I296 PolarHBondContact O-N 2.95Å; D292-I296 VanDerWaalsContact O-N 3.1Å; L294-I296 VanDerWaalsContact C-N 3.31Å; L294-I296 PolarHBondContact O-N 3.28Å; I296-G298 PolarHBondContact O-N 3.23Å; I296-G298 VanDerWaalsContact O-N 3.07Å; I296-N299 PolarHBondContact O-N 2.03Å; I296-T300 VanDerWaalsContact O-CG2 3.3Å; I296-T300 WeakPolarHBondContact O-CG2 3.42Å; I296-F361 HydrophobicContact CD1-CD1 3.43Å; I296-F361 VanDerWaalsContact CD1-CD1 3.43Å; I296-F361 HydrophobicContact CD1-CE1 3.58Å; I296-F362 HydrophobicContact CD1-CD1 3.73Å; I296-F362 HydrophobicContact CD1-CE1 3.51Å; I296-F362 HydrophobicContact CG1-CE1 4.36Å; I296-F365 HydrophobicContact CD1-CE2 3.91Å; I296-F365 HydrophobicContact CD1-CZ 4.23Å; I296-F365 HydrophobicContact CG2-CE2 3.97Å; I296-F365 HydrophobicContact CG2-CZ 3.77Å; I296-Y384 HydrophobicContact CG1-CD1 4.02Å; I296-L387 HydrophobicContact CB-CB 4.28Å; I296-L387 HydrophobicContact CG2-CB 3.63Å
297	Q	96.2	Very high	93.4	Very high	4 Å²	4	42.1 Å²	42.1	2%	0.019	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-64.3	-20.6	-171.7	-60.8	-178.4	41.6	0	0	113.9	R95 L101 L293 L294 S295 L387 R449	R95-Q297 HydrophobicContact CG-CB 4.35Å; L101-Q297 HydrophobicContact CD2-CB 4.25Å; L293-Q297 PolarHBondContact O-NE2 2.86Å; L293-Q297 VanDerWaalsContact O-NE2 3.12Å; L294-Q297 WeakPolarHBondContact O-CB 3.05Å; L294-Q297 PolarHBondContact O-N 3.14Å; S295-Q297 PolarHBondContact O-N 2.92Å; Q297-L387 HydrophobicContact CG-CD2 4.15Å; Q297-R449 HydrophobicContact CG-CG 4.26Å; Q297-R449 PolarHBondContact O-NH2 3.41Å
298	G	93.8	Very high	93.8	Very high	16 Å²	16	38.3 Å²	38.3	17%	0.165	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-115.8	11.7	173.2	0	0	0	0	0	115.2	D94 S295 I296	D94-G298 WeakPolarHBondContact O-CA 3.35Å; S295-G298 PolarHBondContact O-N 3.06Å; I296-G298 PolarHBondContact O-N 3.23Å; I296-G298 VanDerWaalsContact O-N 3.07Å
299	N	94.4	Very high	94.3	Very high	56 Å²	56	39.6 Å²	39.6	30%	0.299	23%	0.232	S	C	.	.			trans	-122.2	49	175.5	-70.5	-81	0	0	0	110.3	S295 I296 G301 F362 F365	S295-N299 PolarHBondContact O-N 3.05Å; S295-N299 PolarHBondContact O-ND2 2.74Å; I296-N299 PolarHBondContact O-N 2.03Å; N299-G301 VanDerWaalsContact C-N 3.3Å; N299-G301 PolarHBondContact O-N 3.31Å; N299-F362 HydrophobicContact CB-CB 4.14Å; N299-F362 HydrophobicContact CB-CD1 3.57Å; N299-F362 HydrophobicContact CB-CD2 3.79Å; N299-F362 HydrophobicContact CB-CE1 3.82Å; N299-F362 HydrophobicContact CB-CE2 4.01Å; N299-F362 HydrophobicContact CB-CG 3.57Å; N299-F362 HydrophobicContact CB-CZ 4.04Å; N299-F365 WeakPolarHBondContact O-CD2 3.47Å
300	T	92.8	Very high	94.7	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	24%	0.235	C	C	.	.			trans	-92.5	18.1	-174.1	70.7	0	0	0	0	113.2	I296 K307 F365 D389	I296-T300 VanDerWaalsContact O-CG2 3.3Å; I296-T300 WeakPolarHBondContact O-CG2 3.42Å; T300-K307 PolarHBondContact O-NZ 3.17Å; T300-F365 WeakPolarHBondContact O-CB 3.31Å; T300-D389 VanDerWaalsContact CB-OD1 3.3Å; T300-D389 WeakPolarHBondContact CB-OD1 3.28Å; T300-D389 HydrophobicContact CG2-CB 4.43Å; T300-D389 PolarHBondContact OG1-OD2 3.22Å
301	G	89.1	Confident	95.2	Very high	34 Å²	34	36.3 Å²	36.3	35%	0.351	21%	0.205	S	C	.	.			trans	69.5	-157.1	179.3	0	0	0	0	0	113.6	N299	N299-G301 VanDerWaalsContact C-N 3.3Å; N299-G301 PolarHBondContact O-N 3.31Å
302	P	92	Very high	95.6	Very high	45 Å²	45	33.5 Å²	33.5	29%	0.292	19%	0.19	S	C	.	.	S	Bend	trans	-72.6	162.3	-178.3	32.5	-35.6	0	0	0	111.5	N306 K307	P302-N306 HydrophobicContact CB-CB 3.97Å; P302-K307 HydrophobicContact CG-CG 4.1Å; P302-K307 WeakPolarHBondContact O-CE 3.04Å; P302-K307 PolarHBondContact O-NZ 3.29Å
303	S	91.9	Very high	95.7	Very high	56 Å²	56	33.6 Å²	33.6	39%	0.392	19%	0.19	S	C	.	.			trans	-55.1	151.2	173.9	70	0	0	0	0	111.8	I305 N306 K307	S303-I305 VanDerWaalsContact C-N 3.27Å; S303-I305 PolarHBondContact O-N 3.47Å; S303-N306 WeakPolarHBondContact O-CA 3.34Å; S303-N306 PolarHBondContact O-N 3.02Å; S303-K307 PolarHBondContact O-N 3.23Å
304	W	95	Very high	95.8	Very high	22 Å²	22	35 Å²	35	8%	0.083	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-42.3	-47.2	-175.2	-178.6	-92.4	0	0	0	115	N306 K307 K368 L391 D434 A437 K438 A441	W304-N306 PolarHBondContact O-N 3.06Å; W304-K307 HydrophobicContact CE3-CD 4.34Å; W304-K307 WeakPolarHBondContact O-CB 3.01Å; W304-K307 PolarHBondContact O-N 3.45Å; W304-K307 VanDerWaalsContact O-N 3.13Å; W304-K368 HydrophobicContact CH2-CB 4.26Å; W304-K368 HydrophobicContact CH2-CG 4.46Å; W304-K368 HydrophobicContact CZ2-CB 4.45Å; W304-K368 HydrophobicContact CZ2-CD 3.91Å; W304-K368 HydrophobicContact CZ2-CG 4.29Å; W304-K368 WeakPolarHBondContact O-CE 3.32Å; W304-L391 HydrophobicContact CH2-CB 4.12Å; W304-D434 VanDerWaalsContact NE1-CG 3.27Å; W304-D434 PolarHBondContact NE1-OD1 3.4Å; W304-D434 PolarHBondContact NE1-OD2 2.96Å; W304-A437 HydrophobicContact CH2-CB 4.45Å; W304-A437 HydrophobicContact CZ2-CB 4.23Å; W304-K438 HydrophobicContact CB-CD 4.39Å; W304-K438 HydrophobicContact CD2-CB 3.95Å; W304-K438 HydrophobicContact CD2-CD 4.23Å; W304-K438 HydrophobicContact CD2-CG 3.77Å; W304-K438 HydrophobicContact CE3-CB 4.42Å; W304-K438 HydrophobicContact CE3-CG 4.21Å; W304-K438 HydrophobicContact CG-CB 4.41Å; W304-K438 HydrophobicContact CG-CD 3.86Å; W304-K438 HydrophobicContact CG-CG 3.9Å; W304-K438 HydrophobicContact CH2-CB 4.27Å; W304-K438 HydrophobicContact CZ2-CB 3.78Å; W304-A441 HydrophobicContact CH2-CB 4.38Å; W304-A441 HydrophobicContact CZ3-CB 3.95Å
305	I	94.8	Very high	95.7	Very high	123 Å²	123	35.1 Å²	35.1	63%	0.631	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-63.5	-24.5	-178	-170.5	61.2	0	0	0	113.5	S303	S303-I305 VanDerWaalsContact C-N 3.27Å; S303-I305 PolarHBondContact O-N 3.47Å
306	N	95.5	Very high	95.7	Very high	117 Å²	117	42.4 Å²	42.4	63%	0.626	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-101	2.8	-178.8	-66.9	-21.3	0	0	0	112.7	P302 S303 W304	P302-N306 HydrophobicContact CB-CB 3.97Å; S303-N306 WeakPolarHBondContact O-CA 3.34Å; S303-N306 PolarHBondContact O-N 3.02Å; W304-N306 PolarHBondContact O-N 3.06Å
307	K	98	Very high	95.7	Very high	7 Å²	7	42.4 Å²	42.4	3%	0.03	22%	0.223	C	C	.	.	S	Bend	trans	-76.9	148.3	174.1	-67.4	-177	-170.9	-55.3	0	110.3	T300 P302 S303 W304 E309 F365 K366 K368 D389	T300-K307 PolarHBondContact O-NZ 3.17Å; P302-K307 HydrophobicContact CG-CG 4.1Å; P302-K307 WeakPolarHBondContact O-CE 3.04Å; P302-K307 PolarHBondContact O-NZ 3.29Å; S303-K307 PolarHBondContact O-N 3.23Å; W304-K307 HydrophobicContact CE3-CD 4.34Å; W304-K307 WeakPolarHBondContact O-CB 3.01Å; W304-K307 PolarHBondContact O-N 3.45Å; W304-K307 VanDerWaalsContact O-N 3.13Å; K307-E309 PolarHBondContact O-N 2.02Å; K307-F365 PolarHBondContact NZ-O 2.9Å; K307-K366 CarbonylContact C-O 3.57Å; K307-K366 WeakPolarHBondContact CA-O 3.46Å; K307-K368 HydrophobicContact CB-CB 4.47Å; K307-K368 HydrophobicContact CB-CG 3.52Å; K307-K368 HydrophobicContact CD-CG 4.35Å; K307-D389 WeakPolarHBondContact CE-OD1 3.5Å; K307-D389 WeakPolarHBondContact CE-OD2 3.46Å; K307-D389 IonicContact NZ-OD1 2.71Å; K307-D389 PolarHBondContact NZ-OD1 3.46Å; K307-D389 IonicContact NZ-OD2 3.44Å; K307-D389 PolarHBondContact NZ-OD2 2.79Å; K307-D389 VanDerWaalsContact NZ-OD2 3.08Å
308	T	98.1	Very high	95.7	Very high	62 Å²	62	43.3 Å²	43.3	38%	0.38	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	125.9	175.4	-58.6	0	0	0	0	110.4	R310 K366 Y367 K368	T308-R310 HydrophobicContact CG2-CB 4.08Å; T308-R310 HydrophobicContact CG2-CG 4.07Å; T308-R310 PolarHBondContact O-N 3.42Å; T308-K366 PolarHBondContact N-O 3.15Å; T308-K366 PolarHBondContact OG1-O 2.94Å; T308-Y367 HydrophobicContact CG2-CD1 3.84Å; T308-Y367 HydrophobicContact CG2-CE1 3.93Å; T308-K368 PolarHBondContact O-N 2.93Å
309	E	97.2	Very high	95.8	Very high	87 Å²	87	44 Å²	44	41%	0.407	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	47.2	-178.8	-50.2	-163.2	140.2	0	0	113.3	K307 K368 K431	K307-E309 PolarHBondContact O-N 2.02Å; E309-K368 HydrophobicContact CG-CD 4.01Å; E309-K368 IonicContact OE1-NZ 3.4Å; E309-K368 PolarHBondContact OE1-NZ 2.96Å; E309-K431 PolarHBondContact O-NZ 3.31Å
310	R	97.9	Very high	95.9	Very high	64 Å²	64	47 Å²	47	24%	0.242	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	144.7	173.5	-67.1	169.6	70.2	-147.9	0	108.3	T308 P333 L335 L336 D337 Y367	T308-R310 HydrophobicContact CG2-CB 4.08Å; T308-R310 HydrophobicContact CG2-CG 4.07Å; T308-R310 PolarHBondContact O-N 3.42Å; R310-P333 PolarHBondContact NE-O 3.23Å; R310-P333 PolarHBondContact NH2-O 3.34Å; R310-L335 WeakPolarHBondContact CA-O 3.33Å; R310-L336 PolarHBondContact NH2-O 3.15Å; R310-D337 VanDerWaalsContact CZ-CB 3.47Å; R310-D337 IonicContact CZ-OD2 3.99Å; R310-D337 IonicContact NH1-OD2 2.66Å; R310-D337 PolarHBondContact NH1-OD2 2.98Å; R310-D337 IonicContact NH2-OD2 3.08Å; R310-Y367 HydrophobicContact CB-CD1 4.21Å; R310-Y367 HydrophobicContact CB-CE1 4.46Å
311	A	98.7	Very high	96.2	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	148.2	166	0	0	0	0	0	110.1	L335 L336 D337 Y369 V371 L393 V427	A311-L335 PolarHBondContact N-O 3.46Å; A311-L336 HydrophobicContact CB-CD1 3.64Å; A311-L336 CarbonylContact O-C 3.4Å; A311-L336 WeakPolarHBondContact O-CA 3.5Å; A311-D337 PolarHBondContact O-N 2.75Å; A311-Y369 CarbonylContact C-O 3.47Å; A311-Y369 VanDerWaalsContact CA-O 3.27Å; A311-Y369 WeakPolarHBondContact CA-O 3.12Å; A311-V371 HydrophobicContact CB-CG2 3.83Å; A311-L393 HydrophobicContact CB-CD1 4.28Å; A311-V427 HydrophobicContact CB-CG1 4.11Å; A311-V427 HydrophobicContact CB-CG2 3.55Å
312	F	98.8	Very high	96.6	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	140.6	-170.2	-176.4	-97.5	0	0	0	112.7	R314 D337 M359 F364 Y367 Y369 V371	F312-R314 HydrophobicContact CE1-CB 4.39Å; F312-R314 HydrophobicContact CE1-CG 3.89Å; F312-R314 HydrophobicContact CE2-CG 4.06Å; F312-R314 HydrophobicContact CZ-CB 4.3Å; F312-R314 HydrophobicContact CZ-CG 3.34Å; F312-D337 WeakPolarHBondContact CA-O 3.47Å; F312-D337 HydrophobicContact CD2-CB 4.01Å; F312-D337 WeakPolarHBondContact CD2-O 3.29Å; F312-M359 HydrophobicContact CE1-SD 4.14Å; F312-M359 HydrophobicContact CE2-CE 3.9Å; F312-M359 HydrophobicContact CE2-SD 3.88Å; F312-M359 HydrophobicContact CZ-CE 3.87Å; F312-M359 HydrophobicContact CZ-SD 3.33Å; F312-M359 WeakPolarHBondContact CZ-SD 3.48Å; F312-F364 HydrophobicContact CD1-CB 4.21Å; F312-F364 HydrophobicContact CD1-CD1 4.47Å; F312-F364 HydrophobicContact CD1-CD2 4.19Å; F312-F364 HydrophobicContact CD1-CG 4.06Å; F312-F364 HydrophobicContact CE1-CB 4.04Å; F312-F364 AromaticContact CE1-CD1 3.5Å; F312-F364 HydrophobicContact CE1-CD1 3.5Å; F312-F364 AromaticContact CE1-CD2 3.79Å; F312-F364 HydrophobicContact CE1-CD2 3.79Å; F312-F364 AromaticContact CE1-CE1 3.82Å; F312-F364 HydrophobicContact CE1-CE1 3.82Å; F312-F364 HydrophobicContact CE1-CE2 4.07Å; F312-F364 AromaticContact CE1-CG 3.5Å; F312-F364 HydrophobicContact CE1-CG 3.5Å; F312-F364 VanDerWaalsContact CE1-CG 3.5Å; F312-F364 HydrophobicContact CE1-CZ 4.09Å; F312-F364 HydrophobicContact CZ-CD1 4.11Å; F312-F364 HydrophobicContact CZ-CE1 4.26Å; F312-Y367 HydrophobicContact CB-CD1 3.77Å; F312-Y367 HydrophobicContact CB-CD2 4.01Å; F312-Y367 HydrophobicContact CB-CE1 4.36Å; F312-Y367 HydrophobicContact CB-CG 3.55Å; F312-Y367 HydrophobicContact CD1-CD2 4.28Å; F312-Y367 AromaticContact CD2-CD1 3.85Å; F312-Y367 HydrophobicContact CD2-CD1 3.85Å; F312-Y367 AromaticContact CD2-CD2 3.59Å; F312-Y367 HydrophobicContact CD2-CD2 3.59Å; F312-Y367 AromaticContact CD2-CE1 3.6Å; F312-Y367 HydrophobicContact CD2-CE1 3.6Å; F312-Y367 AromaticContact CD2-CE2 3.35Å; F312-Y367 HydrophobicContact CD2-CE2 3.35Å; F312-Y367 AromaticContact CD2-CG 3.84Å; F312-Y367 HydrophobicContact CD2-CG 3.84Å; F312-Y367 AromaticContact CD2-CZ 3.33Å; F312-Y367 HydrophobicContact CE2-CD2 4.1Å; F312-Y367 HydrophobicContact CE2-CE1 4.33Å; F312-Y367 AromaticContact CE2-CE2 3.51Å; F312-Y367 HydrophobicContact CE2-CE2 3.51Å; F312-Y367 AromaticContact CE2-CZ 3.62Å; F312-Y367 HydrophobicContact CG-CD1 4.1Å; F312-Y367 AromaticContact CG-CD2 3.68Å; F312-Y367 HydrophobicContact CG-CD2 3.68Å; F312-Y367 HydrophobicContact CG-CE1 4.32Å; F312-Y367 AromaticContact CG-CE2 3.95Å; F312-Y367 HydrophobicContact CG-CE2 3.95Å; F312-Y367 AromaticContact CG-CG 3.77Å; F312-Y367 HydrophobicContact CG-CG 3.77Å; F312-Y367 HydrophobicContact CZ-CE2 4.23Å; F312-Y369 PolarHBondContact N-O 3.46Å; F312-V371 PolarHBondContact O-N 2.93Å
313	F	98.7	Very high	96.9	Very high	3 Å²	3	46 Å²	46	1%	0.013	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	137.7	169.6	177.4	-93.9	0	0	0	112.2	R322 L325 D337 A338 G339 I340 V371	F313-R322 HydrophobicContact CE1-CB 4.41Å; F313-R322 HydrophobicContact CE1-CG 4.42Å; F313-R322 HydrophobicContact CZ-CB 4.44Å; F313-R322 HydrophobicContact CZ-CG 3.97Å; F313-L325 HydrophobicContact CB-CD2 3.49Å; F313-L325 VanDerWaalsContact CB-CD2 3.49Å; F313-L325 HydrophobicContact CD1-CD2 3.65Å; F313-L325 HydrophobicContact CD2-CD2 3.98Å; F313-L325 HydrophobicContact CE1-CD2 4.35Å; F313-L325 HydrophobicContact CG-CD2 3.43Å; F313-L325 VanDerWaalsContact CG-CD2 3.43Å; F313-D337 PolarHBondContact N-O 3.25Å; F313-A338 HydrophobicContact CB-CB 3.99Å; F313-A338 HydrophobicContact CD1-CB 4.49Å; F313-A338 WeakPolarHBondContact O-CA 3.5Å; F313-G339 PolarHBondContact O-N 3.37Å; F313-I340 HydrophobicContact CE1-CD1 4.42Å; F313-V371 HydrophobicContact CB-CB 4.45Å; F313-V371 WeakPolarHBondContact CD2-O 3.24Å
314	R	98.1	Very high	97.2	Very high	32 Å²	32	47.1 Å²	47.1	12%	0.121	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	127.3	162.9	-67	-66.6	-176.1	-87.4	1.5	109.5	F312 D337 G339 T341 F364 R381	F312-R314 HydrophobicContact CE1-CB 4.39Å; F312-R314 HydrophobicContact CE1-CG 3.89Å; F312-R314 HydrophobicContact CE2-CG 4.06Å; F312-R314 HydrophobicContact CZ-CB 4.3Å; F312-R314 HydrophobicContact CZ-CG 3.34Å; R314-D337 IonicContact CZ-OD1 2.81Å; R314-D337 PolarHBondContact NH1-O 3.02Å; R314-D337 IonicContact NH1-OD1 3.64Å; R314-D337 PolarHBondContact NH1-OD1 3.27Å; R314-D337 IonicContact NH2-OD1 3.89Å; R314-D337 PolarHBondContact NH2-OD1 3.37Å; R314-D337 IonicContact NH2-OD2 3.61Å; R314-G339 WeakPolarHBondContact CA-O 3.49Å; R314-T341 HydrophobicContact CB-CG2 4.03Å; R314-F364 HydrophobicContact CB-CE1 4.24Å; R314-F364 HydrophobicContact CB-CE2 4.48Å; R314-F364 HydrophobicContact CB-CZ 3.75Å; R314-R381 PolarHBondContact O-NH2 2.93Å; R314-R381 VanDerWaalsContact O-NH2 3.16Å
315	G	96.6	Very high	97.3	Very high	4 Å²	4	46.1 Å²	46.1	4%	0.041	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	-180	-179.5	0	0	0	0	0	112.7	G339 I340 T341	G315-G339 PolarHBondContact N-O 2.86Å; G315-I340 CarbonylContact O-C 3.53Å; G315-I340 VanDerWaalsContact O-CA 3.22Å; G315-I340 WeakPolarHBondContact O-CA 3.49Å; G315-T341 PolarHBondContact O-N 2.84Å; G315-T341 PolarHBondContact O-OG1 2.96Å
316	R	96.4	Very high	97.4	Very high	157 Å²	157	40.5 Å²	40.5	59%	0.592	19%	0.189	S	C	*	.			trans	-85	163.1	172.9	-67.6	-173.6	176.7	-175.6	-0.6	111.4	S318 R322	R316-S318 PolarHBondContact O-N 3.15Å; R316-R322 WeakPolarHBondContact O-CD 3.32Å; R316-R322 PolarHBondContact O-NH1 2.94Å; R316-R322 VanDerWaalsContact O-NH1 3.1Å
317	D	96.8	Very high	97.6	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	17%	0.174	C	C	.	.			trans	-71	33.1	177.5	67.9	-28.3	0	0	0	114.3	R319 L323 I340 G342 Y343 F344 F345 F346	D317-R319 PolarHBondContact O-N 3.43Å; D317-L323 HydrophobicContact CB-CD2 3.93Å; D317-I340 HydrophobicContact CB-CG2 4.01Å; D317-G342 PolarHBondContact N-O 2.99Å; D317-Y343 HydrophobicContact CB-CD1 3.86Å; D317-Y343 HydrophobicContact CB-CE1 4.32Å; D317-Y343 VanDerWaalsContact CG-CA 3.48Å; D317-Y343 VanDerWaalsContact OD2-CA 3.24Å; D317-Y343 WeakPolarHBondContact OD2-CA 3.43Å; D317-F344 VanDerWaalsContact CG-N 3.28Å; D317-F344 PolarHBondContact OD1-N 2.75Å; D317-F344 PolarHBondContact OD2-N 3.08Å; D317-F345 PolarHBondContact OD1-N 3.38Å; D317-F345 PolarHBondContact OD2-N 3.19Å; D317-F346 HydrophobicContact CB-CD2 4.08Å; D317-F346 WeakPolarHBondContact O-CD2 3.45Å; D317-F346 WeakPolarHBondContact O-CE2 3.27Å; D317-F346 PolarHBondContact OD2-N 3.07Å
318	S	95.5	Very high	97.6	Very high	23 Å²	23	39.6 Å²	39.6	16%	0.161	18%	0.182	C	C	.	.	S	Bend	trans	-72.2	3.7	-173.6	58.5	0	0	0	0	115.2	R316 R322 G375	R316-S318 PolarHBondContact O-N 3.15Å; S318-R322 VanDerWaalsContact OG-CZ 3.26Å; S318-R322 PolarHBondContact OG-NH1 2.71Å; S318-G375 CarbonylContact O-C 3.51Å; S318-G375 WeakPolarHBondContact OG-CA 3.45Å
319	R	95.7	Very high	97.6	Very high	30 Å²	30	37.2 Å²	37.2	11%	0.113	17%	0.168	C	C	.	.	S	Bend	trans	-162.9	152.2	174.6	-145.5	-178.9	-95.9	177.4	-0.5	111.3	D317 E321 R322 D374 G375 T376	D317-R319 PolarHBondContact O-N 3.43Å; R319-E321 VanDerWaalsContact C-N 3.32Å; R319-E321 WeakPolarHBondContact CD-OE2 3.31Å; R319-E321 WeakPolarHBondContact CG-OE2 3.19Å; R319-E321 PolarHBondContact O-N 3.03Å; R319-R322 WeakPolarHBondContact O-CB 3.25Å; R319-R322 PolarHBondContact O-N 2.87Å; R319-R322 VanDerWaalsContact O-N 3.13Å; R319-D374 IonicContact CZ-OD2 2.72Å; R319-D374 IonicContact NH1-OD2 2.95Å; R319-D374 PolarHBondContact NH1-OD2 3.13Å; R319-D374 IonicContact NH2-OD2 3.9Å; R319-G375 PolarHBondContact NE-O 2.94Å; R319-G375 PolarHBondContact NH2-O 2.92Å; R319-G375 VanDerWaalsContact NH2-O 3.13Å; R319-T376 PolarHBondContact NH2-O 3.06Å
320	E	96.8	Very high	97.6	Very high	119 Å²	119	38 Å²	38	56%	0.556	17%	0.17	S	C	*	.	H	α-helix	trans	-59.9	-37.7	-179.8	-68.1	-174.3	179.1	0	0	113.2	R322 L323 Q324 F346	E320-R322 PolarHBondContact O-N 3.07Å; E320-R322 VanDerWaalsContact O-N 3.16Å; E320-L323 WeakPolarHBondContact O-CA 3.01Å; E320-L323 VanDerWaalsContact O-CB 3.28Å; E320-L323 WeakPolarHBondContact O-CB 3.31Å; E320-L323 PolarHBondContact O-N 3.26Å; E320-Q324 PolarHBondContact O-N 3.1Å; E320-F346 HydrophobicContact CG-CE1 3.76Å; E320-F346 HydrophobicContact CG-CZ 3.64Å
321	E	97.8	Very high	97.6	Very high	28 Å²	28	40.4 Å²	40.4	13%	0.131	18%	0.184	C	C	.	.	H	α-helix	trans	-62.2	-26.6	179.5	-62.6	93.1	151.1	0	0	111.8	R319 L323 Q324 L325 V373 L420	R319-E321 VanDerWaalsContact C-N 3.32Å; R319-E321 WeakPolarHBondContact CD-OE2 3.31Å; R319-E321 WeakPolarHBondContact CG-OE2 3.19Å; R319-E321 PolarHBondContact O-N 3.03Å; E321-L323 VanDerWaalsContact C-N 3.34Å; E321-Q324 PolarHBondContact O-N 3.45Å; E321-L325 WeakPolarHBondContact O-CB 3.25Å; E321-L325 PolarHBondContact O-N 3.2Å; E321-V373 HydrophobicContact CB-CG1 3.99Å; E321-L420 HydrophobicContact CB-CD1 4.02Å; E321-L420 HydrophobicContact CB-CG 4.26Å; E321-L420 WeakPolarHBondContact O-CD1 3.41Å
322	R	98.2	Very high	97.6	Very high	16 Å²	16	42 Å²	42	6%	0.06	19%	0.192	C	C	.	.	H	α-helix	trans	-71.4	-30.4	173	-61.9	-177.5	172.3	-168.7	1.8	112.4	F313 R316 S318 R319 E320 L325 V326 I340 V373 D374 G375	F313-R322 HydrophobicContact CE1-CB 4.41Å; F313-R322 HydrophobicContact CE1-CG 4.42Å; F313-R322 HydrophobicContact CZ-CB 4.44Å; F313-R322 HydrophobicContact CZ-CG 3.97Å; R316-R322 WeakPolarHBondContact O-CD 3.32Å; R316-R322 PolarHBondContact O-NH1 2.94Å; R316-R322 VanDerWaalsContact O-NH1 3.1Å; S318-R322 VanDerWaalsContact OG-CZ 3.26Å; S318-R322 PolarHBondContact OG-NH1 2.71Å; R319-R322 WeakPolarHBondContact O-CB 3.25Å; R319-R322 PolarHBondContact O-N 2.87Å; R319-R322 VanDerWaalsContact O-N 3.13Å; E320-R322 PolarHBondContact O-N 3.07Å; E320-R322 VanDerWaalsContact O-N 3.16Å; R322-L325 WeakPolarHBondContact O-CB 3.37Å; R322-V326 PolarHBondContact O-N 2.81Å; R322-I340 HydrophobicContact CB-CD1 3.96Å; R322-V373 HydrophobicContact CG-CB 4.22Å; R322-V373 HydrophobicContact CG-CG1 3.77Å; R322-V373 PolarHBondContact NE-O 2.75Å; R322-V373 PolarHBondContact NH2-O 2.91Å; R322-D374 PolarHBondContact NE-O 3.3Å; R322-D374 VanDerWaalsContact NH2-C 3.25Å; R322-D374 PolarHBondContact NH2-O 3.43Å; R322-G375 VanDerWaalsContact NH2-CA 3.26Å; R322-G375 VanDerWaalsContact NH2-N 3.16Å
323	L	98.1	Very high	97.5	Very high	15 Å²	15	45.1 Å²	45.1	8%	0.079	21%	0.213	C	C	.	.	H	α-helix	trans	-71.7	-44.1	172.7	-55.2	-173.6	0	0	0	110.7	D317 E320 E321 L325 V326 Q327 I340 Y343 F346 K349 L353	D317-L323 HydrophobicContact CB-CD2 3.93Å; E320-L323 WeakPolarHBondContact O-CA 3.01Å; E320-L323 VanDerWaalsContact O-CB 3.28Å; E320-L323 WeakPolarHBondContact O-CB 3.31Å; E320-L323 PolarHBondContact O-N 3.26Å; E321-L323 VanDerWaalsContact C-N 3.34Å; L323-L325 PolarHBondContact O-N 2.96Å; L323-V326 WeakPolarHBondContact O-CB 3.24Å; L323-V326 PolarHBondContact O-N 2.92Å; L323-Q327 PolarHBondContact O-N 2.94Å; L323-I340 HydrophobicContact CD2-CD1 4.3Å; L323-I340 HydrophobicContact CD2-CG1 3.9Å; L323-Y343 HydrophobicContact CD2-CE1 3.97Å; L323-F346 HydrophobicContact CD1-CB 3.81Å; L323-F346 HydrophobicContact CD1-CD1 4.04Å; L323-F346 HydrophobicContact CD1-CD2 3.96Å; L323-F346 HydrophobicContact CD1-CG 3.68Å; L323-K349 HydrophobicContact CD1-CB 4.2Å; L323-K349 HydrophobicContact CD1-CG 3.92Å; L323-L353 HydrophobicContact CB-CD1 3.7Å; L323-L353 HydrophobicContact CD1-CD1 4.47Å; L323-L353 HydrophobicContact CD2-CD1 3.91Å; L323-L353 HydrophobicContact CG-CD1 4.24Å
324	Q	97.9	Very high	97.5	Very high	81 Å²	81	50.2 Å²	50.2	38%	0.379	24%	0.237	S	C	.	.	H	α-helix	trans	-57.4	-39.3	173	-65.5	173	3.2	0	0	111.1	E320 E321 V326 Q327 L328 L420	E320-Q324 PolarHBondContact O-N 3.1Å; E321-Q324 PolarHBondContact O-N 3.45Å; Q324-V326 VanDerWaalsContact C-N 3.33Å; Q324-V326 PolarHBondContact O-N 3.13Å; Q324-Q327 WeakPolarHBondContact O-CB 3.44Å; Q324-Q327 PolarHBondContact O-N 3.17Å; Q324-Q327 VanDerWaalsContact O-N 3.17Å; Q324-L328 WeakPolarHBondContact O-CG 3.3Å; Q324-L328 PolarHBondContact O-N 3.16Å; Q324-L420 HydrophobicContact CB-CD1 4.46Å
325	L	97.4	Very high	97.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-39.5	175.6	-170.2	69.1	0	0	0	112.6	F313 E321 R322 L323 S329 L336 A338 V371 V373 L420 L423	F313-L325 HydrophobicContact CB-CD2 3.49Å; F313-L325 VanDerWaalsContact CB-CD2 3.49Å; F313-L325 HydrophobicContact CD1-CD2 3.65Å; F313-L325 HydrophobicContact CD2-CD2 3.98Å; F313-L325 HydrophobicContact CE1-CD2 4.35Å; F313-L325 HydrophobicContact CG-CD2 3.43Å; F313-L325 VanDerWaalsContact CG-CD2 3.43Å; E321-L325 WeakPolarHBondContact O-CB 3.25Å; E321-L325 PolarHBondContact O-N 3.2Å; R322-L325 WeakPolarHBondContact O-CB 3.37Å; L323-L325 PolarHBondContact O-N 2.96Å; L325-S329 WeakPolarHBondContact O-CB 3.4Å; L325-S329 PolarHBondContact O-N 3.11Å; L325-L336 HydrophobicContact CD1-CD1 4.28Å; L325-L336 HydrophobicContact CD1-CD2 3.68Å; L325-L336 HydrophobicContact CG-CD2 4.25Å; L325-L336 WeakPolarHBondContact O-CD2 3.2Å; L325-A338 HydrophobicContact CB-CB 4.46Å; L325-A338 HydrophobicContact CD1-CB 4.49Å; L325-A338 HydrophobicContact CD2-CB 3.89Å; L325-A338 HydrophobicContact CG-CB 3.57Å; L325-V371 HydrophobicContact CD1-CG1 4.05Å; L325-V371 HydrophobicContact CD2-CB 4.41Å; L325-V371 HydrophobicContact CD2-CG1 4.24Å; L325-V373 HydrophobicContact CD2-CG2 4.04Å; L325-L420 HydrophobicContact CB-CD1 4.05Å; L325-L420 HydrophobicContact CD1-CD1 4.23Å; L325-L423 HydrophobicContact CD1-CD2 3.14Å
326	V	98.2	Very high	97.6	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.036	23%	0.233	C	C	.	.	H	α-helix	trans	-66.9	-41.5	173.9	176.2	0	0	0	0	111.1	R322 L323 Q324 S329 K330 I340 L353	R322-V326 PolarHBondContact O-N 2.81Å; L323-V326 WeakPolarHBondContact O-CB 3.24Å; L323-V326 PolarHBondContact O-N 2.92Å; Q324-V326 VanDerWaalsContact C-N 3.33Å; Q324-V326 PolarHBondContact O-N 3.13Å; V326-S329 WeakPolarHBondContact O-CB 3.46Å; V326-S329 PolarHBondContact O-N 3.31Å; V326-S329 VanDerWaalsContact O-N 3.16Å; V326-K330 PolarHBondContact O-N 3.36Å; V326-I340 HydrophobicContact CG2-CD1 4.17Å; V326-I340 HydrophobicContact CG2-CG1 3.81Å; V326-L353 HydrophobicContact CG1-CB 4.25Å; V326-L353 HydrophobicContact CG1-CD2 4.38Å
327	Q	97.9	Very high	97.7	Very high	67 Å²	67	42.9 Å²	42.9	31%	0.313	21%	0.21	S	C	.	.	H	α-helix	trans	-60.4	-48.7	175.8	-174.4	57.6	30.8	0	0	111.5	L323 Q324 S329 K330 E331	L323-Q327 PolarHBondContact O-N 2.94Å; Q324-Q327 WeakPolarHBondContact O-CB 3.44Å; Q324-Q327 PolarHBondContact O-N 3.17Å; Q324-Q327 VanDerWaalsContact O-N 3.17Å; Q327-S329 PolarHBondContact O-N 2.96Å; Q327-K330 PolarHBondContact O-N 3.37Å; Q327-K330 VanDerWaalsContact O-N 3.08Å; Q327-E331 WeakPolarHBondContact CG-OE1 3.27Å; Q327-E331 PolarHBondContact NE2-OE1 3.3Å; Q327-E331 PolarHBondContact O-N 3.06Å; Q327-E331 VanDerWaalsContact O-N 3.08Å
328	L	98.2	Very high	97.7	Very high	37 Å²	37	43.3 Å²	43.3	19%	0.194	21%	0.214	C	C	.	.	H	α-helix	trans	-55.8	-37.8	173.8	-72	173.1	0	0	0	112	Q324 E331 N332 L336 L420 L423 L424	Q324-L328 WeakPolarHBondContact O-CG 3.3Å; Q324-L328 PolarHBondContact O-N 3.16Å; L328-E331 PolarHBondContact O-N 2.96Å; L328-N332 WeakPolarHBondContact O-CB 3.29Å; L328-N332 PolarHBondContact O-N 3.35Å; L328-N332 PolarHBondContact O-ND2 3.17Å; L328-N332 VanDerWaalsContact O-ND2 3.14Å; L328-L336 HydrophobicContact CB-CD2 3.97Å; L328-L420 HydrophobicContact CD1-CB 4.27Å; L328-L423 HydrophobicContact CD1-CD2 4.23Å; L328-L424 HydrophobicContact CD2-CD1 4.11Å
329	S	98.4	Very high	97.9	Very high	12 Å²	12	42.5 Å²	42.5	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-69.2	-35.7	177.9	-171.4	0	0	0	0	113.1	L325 V326 Q327 N332 P333 L336 D337 A338	L325-S329 WeakPolarHBondContact O-CB 3.4Å; L325-S329 PolarHBondContact O-N 3.11Å; V326-S329 WeakPolarHBondContact O-CB 3.46Å; V326-S329 PolarHBondContact O-N 3.31Å; V326-S329 VanDerWaalsContact O-N 3.16Å; Q327-S329 PolarHBondContact O-N 2.96Å; S329-N332 CarbonylContact O-C 3.58Å; S329-P333 VanDerWaalsContact O-CA 3.3Å; S329-P333 WeakPolarHBondContact O-CA 3.3Å; S329-P333 VanDerWaalsContact O-N 3.15Å; S329-L336 PolarHBondContact OG-O 3.03Å; S329-D337 WeakPolarHBondContact OG-CA 3.34Å; S329-A338 PolarHBondContact OG-N 2.66Å
330	K	97.6	Very high	98	Very high	105 Å²	105	41.1 Å²	41.1	46%	0.457	20%	0.204	S	C	.	.	H	α-helix	trans	-68	-38.1	175.1	-71.9	-176.8	176.2	-167.7	0	111.8	V326 Q327 E352 L353	V326-K330 PolarHBondContact O-N 3.36Å; Q327-K330 PolarHBondContact O-N 3.37Å; Q327-K330 VanDerWaalsContact O-N 3.08Å; K330-E352 PolarHBondContact NZ-O 3.31Å; K330-L353 WeakPolarHBondContact CE-O 3.33Å; K330-L353 PolarHBondContact NZ-O 2.99Å
331	E	98.1	Very high	98	Very high	114 Å²	114	36.4 Å²	36.4	53%	0.533	18%	0.184	S	C	.	.	H	α-helix	trans	-76.5	-28.3	178.4	-68.3	168.9	-172.3	0	0	112.5	Q327 L328 P333	Q327-E331 WeakPolarHBondContact CG-OE1 3.27Å; Q327-E331 PolarHBondContact NE2-OE1 3.3Å; Q327-E331 PolarHBondContact O-N 3.06Å; Q327-E331 VanDerWaalsContact O-N 3.08Å; L328-E331 PolarHBondContact O-N 2.96Å; E331-P333 VanDerWaalsContact C-CD 3.45Å
332	N	98.3	Very high	98	Very high	32 Å²	32	35.8 Å²	35.8	17%	0.171	18%	0.184	C	C	.	.			trans	-131.8	55.3	-174.2	-57.3	-94	0	0	0	112.6	L328 S329 Q334 L335 L336 L424	L328-N332 WeakPolarHBondContact O-CB 3.29Å; L328-N332 PolarHBondContact O-N 3.35Å; L328-N332 PolarHBondContact O-ND2 3.17Å; L328-N332 VanDerWaalsContact O-ND2 3.14Å; S329-N332 CarbonylContact O-C 3.58Å; N332-Q334 VanDerWaalsContact C-OE1 3.3Å; N332-Q334 PolarHBondContact O-N 3.01Å; N332-Q334 VanDerWaalsContact O-N 3.12Å; N332-L335 HydrophobicContact CB-CB 4.48Å; N332-L335 PolarHBondContact O-N 3.03Å; N332-L336 PolarHBondContact O-N 2.97Å; N332-L424 HydrophobicContact CB-CD1 4.31Å; N332-L424 HydrophobicContact CB-CD2 4.11Å; N332-L424 WeakPolarHBondContact ND2-CD1 3.44Å
333	P	97.8	Very high	97.9	Very high	67 Å²	67	36.1 Å²	36.1	44%	0.435	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-26.5	-173.4	25.6	-35.4	0	0	0	113.1	R310 S329 E331 L335	R310-P333 PolarHBondContact NE-O 3.23Å; R310-P333 PolarHBondContact NH2-O 3.34Å; S329-P333 VanDerWaalsContact O-CA 3.3Å; S329-P333 WeakPolarHBondContact O-CA 3.3Å; S329-P333 VanDerWaalsContact O-N 3.15Å; E331-P333 VanDerWaalsContact C-CD 3.45Å; P333-L335 VanDerWaalsContact C-N 3.28Å; P333-L335 PolarHBondContact O-N 2.94Å
334	Q	97.2	Very high	97.8	Very high	110 Å²	110	41.7 Å²	41.7	51%	0.514	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.1	176.3	73.7	-68.9	-10.6	0	0	114.2	N332	N332-Q334 VanDerWaalsContact C-OE1 3.3Å; N332-Q334 PolarHBondContact O-N 3.01Å; N332-Q334 VanDerWaalsContact O-N 3.12Å
335	L	98.1	Very high	97.6	Very high	15 Å²	15	43.1 Å²	43.1	8%	0.079	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-33.7	-180	-66.2	179.3	0	0	0	112.7	R310 A311 N332 P333 V427 K428 K431	R310-L335 WeakPolarHBondContact CA-O 3.33Å; A311-L335 PolarHBondContact N-O 3.46Å; N332-L335 HydrophobicContact CB-CB 4.48Å; N332-L335 PolarHBondContact O-N 3.03Å; P333-L335 VanDerWaalsContact C-N 3.28Å; P333-L335 PolarHBondContact O-N 2.94Å; L335-V427 HydrophobicContact CB-CG1 4.22Å; L335-V427 HydrophobicContact CD2-CG1 4.47Å; L335-K428 HydrophobicContact CD1-CD 4.39Å; L335-K428 HydrophobicContact CD1-CG 3.97Å; L335-K428 HydrophobicContact CD2-CG 4.4Å; L335-K431 HydrophobicContact CD2-CD 3.97Å
336	L	98.6	Very high	97.6	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	140.8	-170.9	179.5	63.6	0	0	0	111.2	R310 A311 L325 L328 S329 N332 A338 V371 L423	R310-L336 PolarHBondContact NH2-O 3.15Å; A311-L336 HydrophobicContact CB-CD1 3.64Å; A311-L336 CarbonylContact O-C 3.4Å; A311-L336 WeakPolarHBondContact O-CA 3.5Å; L325-L336 HydrophobicContact CD1-CD1 4.28Å; L325-L336 HydrophobicContact CD1-CD2 3.68Å; L325-L336 HydrophobicContact CG-CD2 4.25Å; L325-L336 WeakPolarHBondContact O-CD2 3.2Å; L328-L336 HydrophobicContact CB-CD2 3.97Å; S329-L336 PolarHBondContact OG-O 3.03Å; N332-L336 PolarHBondContact O-N 2.97Å; L336-A338 HydrophobicContact CD1-CB 4.15Å; L336-A338 HydrophobicContact CD2-CB 4.24Å; L336-A338 HydrophobicContact CG-CB 4.05Å; L336-V371 HydrophobicContact CD1-CG2 3.93Å; L336-L423 HydrophobicContact CD2-CD2 4.19Å
337	D	98.5	Very high	97.5	Very high	22 Å²	22	50.6 Å²	50.6	12%	0.118	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	85.4	172.5	-164	-23.7	0	0	0	109.2	R310 A311 F312 F313 R314 S329 Y367	R310-D337 VanDerWaalsContact CZ-CB 3.47Å; R310-D337 IonicContact CZ-OD2 3.99Å; R310-D337 IonicContact NH1-OD2 2.66Å; R310-D337 PolarHBondContact NH1-OD2 2.98Å; R310-D337 IonicContact NH2-OD2 3.08Å; A311-D337 PolarHBondContact O-N 2.75Å; F312-D337 WeakPolarHBondContact CA-O 3.47Å; F312-D337 HydrophobicContact CD2-CB 4.01Å; F312-D337 WeakPolarHBondContact CD2-O 3.29Å; F313-D337 PolarHBondContact N-O 3.25Å; R314-D337 IonicContact CZ-OD1 2.81Å; R314-D337 PolarHBondContact NH1-O 3.02Å; R314-D337 IonicContact NH1-OD1 3.64Å; R314-D337 PolarHBondContact NH1-OD1 3.27Å; R314-D337 IonicContact NH2-OD1 3.89Å; R314-D337 PolarHBondContact NH2-OD1 3.37Å; R314-D337 IonicContact NH2-OD2 3.61Å; S329-D337 WeakPolarHBondContact OG-CA 3.34Å; D337-Y367 HydrophobicContact CB-CE1 4.02Å; D337-Y367 PolarHBondContact OD2-OH 3.12Å
338	A	98.5	Very high	97.4	Very high	10 Å²	10	53.3 Å²	53.3	8%	0.083	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	142.2	-179.6	0	0	0	0	0	111.9	F313 L325 S329 L336	F313-A338 HydrophobicContact CB-CB 3.99Å; F313-A338 HydrophobicContact CD1-CB 4.49Å; F313-A338 WeakPolarHBondContact O-CA 3.5Å; L325-A338 HydrophobicContact CB-CB 4.46Å; L325-A338 HydrophobicContact CD1-CB 4.49Å; L325-A338 HydrophobicContact CD2-CB 3.89Å; L325-A338 HydrophobicContact CG-CB 3.57Å; S329-A338 PolarHBondContact OG-N 2.66Å; L336-A338 HydrophobicContact CD1-CB 4.15Å; L336-A338 HydrophobicContact CD2-CB 4.24Å; L336-A338 HydrophobicContact CG-CB 4.05Å
339	G	98.1	Very high	97.4	Very high	5 Å²	5	54.9 Å²	54.9	5%	0.052	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	142.8	-179.9	0	0	0	0	0	114.1	F313 R314 G315	F313-G339 PolarHBondContact O-N 3.37Å; R314-G339 WeakPolarHBondContact CA-O 3.49Å; G315-G339 PolarHBondContact N-O 2.86Å
340	I	98.5	Very high	97.3	Very high	1 Å²	1	58 Å²	58	1%	0.005	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	124.9	169.3	-62.1	-47.1	0	0	0	109.7	F313 G315 D317 R322 L323 V326 G342 Y343 A356	F313-I340 HydrophobicContact CE1-CD1 4.42Å; G315-I340 CarbonylContact O-C 3.53Å; G315-I340 VanDerWaalsContact O-CA 3.22Å; G315-I340 WeakPolarHBondContact O-CA 3.49Å; D317-I340 HydrophobicContact CB-CG2 4.01Å; R322-I340 HydrophobicContact CB-CD1 3.96Å; L323-I340 HydrophobicContact CD2-CD1 4.3Å; L323-I340 HydrophobicContact CD2-CG1 3.9Å; V326-I340 HydrophobicContact CG2-CD1 4.17Å; V326-I340 HydrophobicContact CG2-CG1 3.81Å; I340-G342 WeakPolarHBondContact CG2-O 3.33Å; I340-Y343 HydrophobicContact CB-CE1 4.16Å; I340-Y343 HydrophobicContact CB-CE2 3.85Å; I340-Y343 HydrophobicContact CG1-CE1 4.2Å; I340-Y343 HydrophobicContact CG2-CD1 4.08Å; I340-Y343 HydrophobicContact CG2-CD2 3.8Å; I340-Y343 HydrophobicContact CG2-CE1 3.84Å; I340-Y343 HydrophobicContact CG2-CE2 3.52Å; I340-Y343 HydrophobicContact CG2-CG 4.07Å; I340-A356 PolarHBondContact O-N 3.33Å
341	T	97.1	Very high	97.2	Very high	21 Å²	21	62.8 Å²	62.8	13%	0.129	30%	0.301	C	S	.	.	S	Bend	trans	-90.6	-14.3	-177.7	58.7	0	0	0	0	113.7	R314 G315 K355 L358	R314-T341 HydrophobicContact CB-CG2 4.03Å; G315-T341 PolarHBondContact O-N 2.84Å; G315-T341 PolarHBondContact O-OG1 2.96Å; T341-K355 WeakPolarHBondContact O-CE 3.41Å; T341-L358 HydrophobicContact CG2-CD2 3.95Å
342	G	96.9	Very high	97.1	Very high	14 Å²	14	62.4 Å²	62.4	14%	0.144	30%	0.299	C	S	.	.			trans	-169.7	143.9	174.2	0	0	0	0	0	110.8	D317 I340	D317-G342 PolarHBondContact N-O 2.99Å; I340-G342 WeakPolarHBondContact CG2-O 3.33Å
343	Y	96.8	Very high	97	Very high	23 Å²	23	61.4 Å²	61.4	9%	0.09	29%	0.294	C	S	.	.			trans	-106.4	125.7	179.9	-66.7	-97.1	0	0	0	110.2	D317 L323 I340 F346 K349 E350 L353 G354	D317-Y343 HydrophobicContact CB-CD1 3.86Å; D317-Y343 HydrophobicContact CB-CE1 4.32Å; D317-Y343 VanDerWaalsContact CG-CA 3.48Å; D317-Y343 VanDerWaalsContact OD2-CA 3.24Å; D317-Y343 WeakPolarHBondContact OD2-CA 3.43Å; L323-Y343 HydrophobicContact CD2-CE1 3.97Å; I340-Y343 HydrophobicContact CB-CE1 4.16Å; I340-Y343 HydrophobicContact CB-CE2 3.85Å; I340-Y343 HydrophobicContact CG1-CE1 4.2Å; I340-Y343 HydrophobicContact CG2-CD1 4.08Å; I340-Y343 HydrophobicContact CG2-CD2 3.8Å; I340-Y343 HydrophobicContact CG2-CE1 3.84Å; I340-Y343 HydrophobicContact CG2-CE2 3.52Å; I340-Y343 HydrophobicContact CG2-CG 4.07Å; Y343-F346 VanDerWaalsContact CD1-O 3.31Å; Y343-F346 WeakPolarHBondContact CD1-O 3.21Å; Y343-K349 HydrophobicContact CE1-CB 4.22Å; Y343-E350 HydrophobicContact CD1-CB 4.26Å; Y343-E350 HydrophobicContact CD2-CB 3.59Å; Y343-E350 HydrophobicContact CD2-CG 3.6Å; Y343-E350 HydrophobicContact CE1-CB 4.49Å; Y343-E350 HydrophobicContact CE2-CB 3.87Å; Y343-E350 HydrophobicContact CE2-CG 3.78Å; Y343-E350 HydrophobicContact CG-CB 3.81Å; Y343-E350 HydrophobicContact CG-CG 4.31Å; Y343-L353 VanDerWaalsContact OH-CB 3.23Å; Y343-L353 WeakPolarHBondContact OH-CB 3.41Å; Y343-G354 VanDerWaalsContact CE2-O 3.26Å; Y343-G354 WeakPolarHBondContact CE2-O 3.36Å; Y343-G354 PolarHBondContact OH-O 2.91Å
344	F	95.3	Very high	96.9	Very high	132 Å²	132	59.8 Å²	59.8	58%	0.579	29%	0.289	S	S	*	.	S	Bend	trans	-130.6	-40.5	176.6	-174.9	-98	0	0	0	111.2	D317 Q347	D317-F344 VanDerWaalsContact CG-N 3.28Å; D317-F344 PolarHBondContact OD1-N 2.75Å; D317-F344 PolarHBondContact OD2-N 3.08Å; F344-Q347 PolarHBondContact O-NE2 2.91Å; F344-Q347 VanDerWaalsContact O-NE2 3.11Å
345	F	95	Very high	96.9	Very high	112 Å²	112	61.1 Å²	61.1	49%	0.491	29%	0.293	S	S	.	.	S	Bend	trans	-93.9	-29	-175	-60	-85.2	0	0	0	113	D317	D317-F345 PolarHBondContact OD1-N 3.38Å; D317-F345 PolarHBondContact OD2-N 3.19Å
346	F	96.4	Very high	96.9	Very high	41 Å²	41	61.5 Å²	61.5	18%	0.18	30%	0.298	C	S	.	.			trans	-130.9	55.4	-178.5	-55.4	-88.7	0	0	0	110.4	D317 E320 L323 Y343 E348 K349	D317-F346 HydrophobicContact CB-CD2 4.08Å; D317-F346 WeakPolarHBondContact O-CD2 3.45Å; D317-F346 WeakPolarHBondContact O-CE2 3.27Å; D317-F346 PolarHBondContact OD2-N 3.07Å; E320-F346 HydrophobicContact CG-CE1 3.76Å; E320-F346 HydrophobicContact CG-CZ 3.64Å; L323-F346 HydrophobicContact CD1-CB 3.81Å; L323-F346 HydrophobicContact CD1-CD1 4.04Å; L323-F346 HydrophobicContact CD1-CD2 3.96Å; L323-F346 HydrophobicContact CD1-CG 3.68Å; Y343-F346 VanDerWaalsContact CD1-O 3.31Å; Y343-F346 WeakPolarHBondContact CD1-O 3.21Å; F346-E348 WeakPolarHBondContact CA-OE2 3.37Å; F346-E348 PolarHBondContact O-N 3.47Å; F346-K349 HydrophobicContact CB-CB 4.22Å; F346-K349 HydrophobicContact CB-CG 4.1Å; F346-K349 WeakPolarHBondContact O-CB 3.34Å; F346-K349 PolarHBondContact O-N 2.92Å
347	Q	96.8	Very high	96.8	Very high	122 Å²	122	70.4 Å²	70.4	57%	0.57	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-59	-32.6	-174.4	-64.5	176.6	33.8	0	0	112.7	F344 K349 E350	F344-Q347 PolarHBondContact O-NE2 2.91Å; F344-Q347 VanDerWaalsContact O-NE2 3.11Å; Q347-K349 PolarHBondContact O-N 3.37Å; Q347-E350 WeakPolarHBondContact O-CB 3.3Å; Q347-E350 PolarHBondContact O-N 3.1Å
348	E	96.4	Very high	96.6	Very high	123 Å²	123	76.2 Å²	76.2	58%	0.575	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-61.6	-25.6	176	72.8	-66.9	161.1	0	0	113.2	F346 E350	F346-E348 WeakPolarHBondContact CA-OE2 3.37Å; F346-E348 PolarHBondContact O-N 3.47Å; E348-E350 VanDerWaalsContact C-N 3.35Å
349	K	96.9	Very high	96.5	Very high	71 Å²	71	78.7 Å²	78.7	31%	0.309	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-81.1	-12	179.9	-67.4	-72.9	177.8	-179	0	113.8	L323 Y343 F346 Q347 K351 E352 L353	L323-K349 HydrophobicContact CD1-CB 4.2Å; L323-K349 HydrophobicContact CD1-CG 3.92Å; Y343-K349 HydrophobicContact CE1-CB 4.22Å; F346-K349 HydrophobicContact CB-CB 4.22Å; F346-K349 HydrophobicContact CB-CG 4.1Å; F346-K349 WeakPolarHBondContact O-CB 3.34Å; F346-K349 PolarHBondContact O-N 2.92Å; Q347-K349 PolarHBondContact O-N 3.37Å; K349-K351 VanDerWaalsContact C-N 3.31Å; K349-K351 PolarHBondContact O-N 3.49Å; K349-E352 WeakPolarHBondContact CD-OE2 3.37Å; K349-E352 IonicContact NZ-OE1 3.17Å; K349-E352 IonicContact NZ-OE2 3.89Å; K349-E352 PolarHBondContact NZ-OE2 2.73Å; K349-E352 PolarHBondContact O-N 3.34Å; K349-L353 HydrophobicContact CB-CD1 4.22Å; K349-L353 WeakPolarHBondContact O-CB 3.19Å; K349-L353 PolarHBondContact O-N 3.45Å
350	E	96.6	Very high	96.4	Very high	76 Å²	76	80.5 Å²	80.5	36%	0.355	40%	0.397	S	S	.	.	H	α-helix	trans	-60.6	-39.2	-179.4	-176.9	167	-171.2	0	0	112.5	Y343 Q347 E348 E352 G354	Y343-E350 HydrophobicContact CD1-CB 4.26Å; Y343-E350 HydrophobicContact CD2-CB 3.59Å; Y343-E350 HydrophobicContact CD2-CG 3.6Å; Y343-E350 HydrophobicContact CE1-CB 4.49Å; Y343-E350 HydrophobicContact CE2-CB 3.87Å; Y343-E350 HydrophobicContact CE2-CG 3.78Å; Y343-E350 HydrophobicContact CG-CB 3.81Å; Y343-E350 HydrophobicContact CG-CG 4.31Å; Q347-E350 WeakPolarHBondContact O-CB 3.3Å; Q347-E350 PolarHBondContact O-N 3.1Å; E348-E350 VanDerWaalsContact C-N 3.35Å; E350-E352 VanDerWaalsContact C-N 3.31Å; E350-E352 PolarHBondContact O-N 3.13Å; E350-G354 WeakPolarHBondContact O-CA 3.37Å; E350-G354 PolarHBondContact O-N 3.21Å
351	K	95.5	Very high	96.2	Very high	206 Å²	206	81.8 Å²	81.8	90%	0.896	40%	0.402	S	S	*	.	H	α-helix	trans	-64.6	-36.5	179.2	-68.4	-177.7	-179.5	177	0	112.5	K349	K349-K351 VanDerWaalsContact C-N 3.31Å; K349-K351 PolarHBondContact O-N 3.49Å
352	E	95.8	Very high	96.2	Very high	106 Å²	106	83.4 Å²	83.4	50%	0.495	41%	0.408	S	S	.	.	H	α-helix	trans	-80.1	-48.2	-177.8	-177.2	-170.1	156.7	0	0	111.2	K330 K349 E350	K330-E352 PolarHBondContact NZ-O 3.31Å; K349-E352 WeakPolarHBondContact CD-OE2 3.37Å; K349-E352 IonicContact NZ-OE1 3.17Å; K349-E352 IonicContact NZ-OE2 3.89Å; K349-E352 PolarHBondContact NZ-OE2 2.73Å; K349-E352 PolarHBondContact O-N 3.34Å; E350-E352 VanDerWaalsContact C-N 3.31Å; E350-E352 PolarHBondContact O-N 3.13Å
353	L	96.3	Very high	96.2	Very high	12 Å²	12	85.6 Å²	85.6	6%	0.063	42%	0.416	C	S	.	.	H	α-helix	trans	-93.3	-23.3	-170.6	-65.5	179.8	0	0	0	113.2	L323 V326 K330 Y343 K349	L323-L353 HydrophobicContact CB-CD1 3.7Å; L323-L353 HydrophobicContact CD1-CD1 4.47Å; L323-L353 HydrophobicContact CD2-CD1 3.91Å; L323-L353 HydrophobicContact CG-CD1 4.24Å; V326-L353 HydrophobicContact CG1-CB 4.25Å; V326-L353 HydrophobicContact CG1-CD2 4.38Å; K330-L353 WeakPolarHBondContact CE-O 3.33Å; K330-L353 PolarHBondContact NZ-O 2.99Å; Y343-L353 VanDerWaalsContact OH-CB 3.23Å; Y343-L353 WeakPolarHBondContact OH-CB 3.41Å; K349-L353 HydrophobicContact CB-CD1 4.22Å; K349-L353 WeakPolarHBondContact O-CB 3.19Å; K349-L353 PolarHBondContact O-N 3.45Å
354	G	96.4	Very high	96.2	Very high	33 Å²	33	85 Å²	85	34%	0.34	41%	0.414	S	S	.	.			trans	75.2	168.5	-178.7	0	0	0	0	0	112.9	Y343 E350	Y343-G354 VanDerWaalsContact CE2-O 3.26Å; Y343-G354 WeakPolarHBondContact CE2-O 3.36Å; Y343-G354 PolarHBondContact OH-O 2.91Å; E350-G354 WeakPolarHBondContact O-CA 3.37Å; E350-G354 PolarHBondContact O-N 3.21Å
355	K	97.1	Very high	96.3	Very high	137 Å²	137	78.7 Å²	78.7	60%	0.596	39%	0.387	S	S	*	.			trans	-108.8	123.6	180	-171.3	175.8	-176.2	172.1	0	110.8	T341	T341-K355 WeakPolarHBondContact O-CE 3.41Å
356	A	97.2	Very high	96.5	Very high	23 Å²	23	77.8 Å²	77.8	19%	0.19	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-82.7	149.5	175.8	0	0	0	0	0	111.4	I340	I340-A356 PolarHBondContact O-N 3.33Å
357	K	96.3	Very high	96.6	Very high	188 Å²	188	77.1 Å²	77.1	82%	0.817	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-66.2	143.3	173.8	-65.2	-175.4	-179.6	-179	0	110.5
358	L	95.3	Very high	96.7	Very high	145 Å²	145	71.3 Å²	71.3	76%	0.759	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-60.8	141.1	167.2	-71.3	169.4	0	0	0	109.4	T341	T341-L358 HydrophobicContact CG2-CD2 3.95Å
359	M	95.1	Very high	96.8	Very high	61 Å²	61	65.4 Å²	65.4	30%	0.3	32%	0.324	S	S	.	.			trans	-126.6	138.1	175.6	179.9	177.5	-65.6	0	0	107.7	F312 D363 F364 Y367	F312-M359 HydrophobicContact CE1-SD 4.14Å; F312-M359 HydrophobicContact CE2-CE 3.9Å; F312-M359 HydrophobicContact CE2-SD 3.88Å; F312-M359 HydrophobicContact CZ-CE 3.87Å; F312-M359 HydrophobicContact CZ-SD 3.33Å; F312-M359 WeakPolarHBondContact CZ-SD 3.48Å; M359-D363 HydrophobicContact CG-CB 3.54Å; M359-D363 HydrophobicContact SD-CB 3.74Å; M359-F364 HydrophobicContact CB-CD1 4.48Å; M359-F364 HydrophobicContact CB-CE1 4.01Å; M359-F364 HydrophobicContact CG-CD1 4.14Å; M359-F364 HydrophobicContact CG-CE1 4.17Å; M359-F364 HydrophobicContact SD-CD1 4.14Å; M359-Y367 HydrophobicContact CE-CE2 4.37Å; M359-Y367 HydrophobicContact SD-CE2 4.31Å
360	G	95.6	Very high	96.9	Very high	44 Å²	44	62.1 Å²	62.1	45%	0.454	31%	0.31	S	S	.	.			trans	-60.2	143.4	175.3	0	0	0	0	0	110.3	F362 D363 F364	G360-F362 VanDerWaalsContact C-N 3.3Å; G360-F362 PolarHBondContact O-N 2.72Å; G360-D363 WeakPolarHBondContact O-CB 3.5Å; G360-D363 PolarHBondContact O-N 3.46Å; G360-F364 WeakPolarHBondContact O-CD1 3.37Å
361	F	95.8	Very high	97	Very high	27 Å²	27	58.6 Å²	58.6	12%	0.118	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-38.5	-172.4	-167.4	-96.4	0	0	0	112.6	I296 D363 F364 F365 R381 Y384 L385	I296-F361 HydrophobicContact CD1-CD1 3.43Å; I296-F361 VanDerWaalsContact CD1-CD1 3.43Å; I296-F361 HydrophobicContact CD1-CE1 3.58Å; F361-D363 PolarHBondContact O-N 2.8Å; F361-F364 HydrophobicContact CD2-CD2 4.04Å; F361-F364 AromaticContact CD2-CE2 3.97Å; F361-F364 HydrophobicContact CD2-CE2 3.97Å; F361-F364 HydrophobicContact CD2-CG 4.46Å; F361-F364 HydrophobicContact CD2-CZ 4.3Å; F361-F364 AromaticContact CE2-CD2 3.98Å; F361-F364 HydrophobicContact CE2-CD2 3.98Å; F361-F364 HydrophobicContact CE2-CE2 4.03Å; F361-F364 WeakPolarHBondContact O-CB 3.43Å; F361-F364 WeakPolarHBondContact O-CG 3.38Å; F361-F364 PolarHBondContact O-N 3.24Å; F361-F365 HydrophobicContact CD1-CE2 4.13Å; F361-F365 HydrophobicContact CD1-CZ 4.27Å; F361-F365 HydrophobicContact CE1-CE2 4.01Å; F361-F365 AromaticContact CE1-CZ 3.68Å; F361-F365 HydrophobicContact CE1-CZ 3.68Å; F361-F365 HydrophobicContact CZ-CZ 4.47Å; F361-R381 HydrophobicContact CE2-CB 4.31Å; F361-Y384 VanDerWaalsContact CE1-CB 3.45Å; F361-Y384 HydrophobicContact CE1-CG 4.45Å; F361-Y384 VanDerWaalsContact CZ-CB 3.48Å; F361-Y384 HydrophobicContact CZ-CG 4.49Å; F361-L385 HydrophobicContact CE2-CD2 4.23Å; F361-L385 HydrophobicContact CZ-CD2 3.82Å; F361-L385 HydrophobicContact CZ-CG 4.34Å
362	F	96.1	Very high	97.1	Very high	55 Å²	55	48.8 Å²	48.8	24%	0.241	25%	0.251	C	S	.	.	H	α-helix	trans	-61.9	-27.6	175.9	-56.5	-29.3	0	0	0	113.5	N291 I296 N299 G360 F364 F365	N291-F362 WeakPolarHBondContact OD1-CE1 3.44Å; N291-F362 WeakPolarHBondContact OD1-CZ 3.33Å; I296-F362 HydrophobicContact CD1-CD1 3.73Å; I296-F362 HydrophobicContact CD1-CE1 3.51Å; I296-F362 HydrophobicContact CG1-CE1 4.36Å; N299-F362 HydrophobicContact CB-CB 4.14Å; N299-F362 HydrophobicContact CB-CD1 3.57Å; N299-F362 HydrophobicContact CB-CD2 3.79Å; N299-F362 HydrophobicContact CB-CE1 3.82Å; N299-F362 HydrophobicContact CB-CE2 4.01Å; N299-F362 HydrophobicContact CB-CG 3.57Å; N299-F362 HydrophobicContact CB-CZ 4.04Å; G360-F362 VanDerWaalsContact C-N 3.3Å; G360-F362 PolarHBondContact O-N 2.72Å; F362-F364 PolarHBondContact O-N 2.83Å; F362-F365 WeakPolarHBondContact O-CD2 3.3Å; F362-F365 PolarHBondContact O-N 3.44Å
363	D	97.1	Very high	97.2	Very high	61 Å²	61	43.8 Å²	43.8	33%	0.326	23%	0.227	S	C	.	.	H	α-helix	trans	-71.6	-16.2	177.1	-70.8	-30.1	0	0	0	112.5	M359 G360 F361 F365 K366	M359-D363 HydrophobicContact CG-CB 3.54Å; M359-D363 HydrophobicContact SD-CB 3.74Å; G360-D363 WeakPolarHBondContact O-CB 3.5Å; G360-D363 PolarHBondContact O-N 3.46Å; F361-D363 PolarHBondContact O-N 2.8Å; D363-F365 PolarHBondContact O-N 3.34Å; D363-K366 HydrophobicContact CB-CD 4.24Å; D363-K366 VanDerWaalsContact O-CB 3.27Å; D363-K366 WeakPolarHBondContact O-CB 3.49Å; D363-K366 WeakPolarHBondContact O-CG 3.49Å; D363-K366 PolarHBondContact O-N 2.9Å; D363-K366 VanDerWaalsContact O-N 3.08Å; D363-K366 WeakPolarHBondContact OD1-CE 3.5Å; D363-K366 IonicContact OD1-NZ 2.89Å; D363-K366 PolarHBondContact OD1-NZ 2.83Å; D363-K366 IonicContact OD2-NZ 3.4Å
364	F	97.8	Very high	97.3	Very high	10 Å²	10	43.2 Å²	43.2	4%	0.044	23%	0.225	C	C	.	.	H	α-helix	trans	-60.4	-38	175.3	-71.6	26.3	0	0	0	109.5	F312 R314 M359 G360 F361 F362 K366 Y367 Q370 L385	F312-F364 HydrophobicContact CD1-CB 4.21Å; F312-F364 HydrophobicContact CD1-CD1 4.47Å; F312-F364 HydrophobicContact CD1-CD2 4.19Å; F312-F364 HydrophobicContact CD1-CG 4.06Å; F312-F364 HydrophobicContact CE1-CB 4.04Å; F312-F364 AromaticContact CE1-CD1 3.5Å; F312-F364 HydrophobicContact CE1-CD1 3.5Å; F312-F364 AromaticContact CE1-CD2 3.79Å; F312-F364 HydrophobicContact CE1-CD2 3.79Å; F312-F364 AromaticContact CE1-CE1 3.82Å; F312-F364 HydrophobicContact CE1-CE1 3.82Å; F312-F364 HydrophobicContact CE1-CE2 4.07Å; F312-F364 AromaticContact CE1-CG 3.5Å; F312-F364 HydrophobicContact CE1-CG 3.5Å; F312-F364 VanDerWaalsContact CE1-CG 3.5Å; F312-F364 HydrophobicContact CE1-CZ 4.09Å; F312-F364 HydrophobicContact CZ-CD1 4.11Å; F312-F364 HydrophobicContact CZ-CE1 4.26Å; R314-F364 HydrophobicContact CB-CE1 4.24Å; R314-F364 HydrophobicContact CB-CE2 4.48Å; R314-F364 HydrophobicContact CB-CZ 3.75Å; M359-F364 HydrophobicContact CB-CD1 4.48Å; M359-F364 HydrophobicContact CB-CE1 4.01Å; M359-F364 HydrophobicContact CG-CD1 4.14Å; M359-F364 HydrophobicContact CG-CE1 4.17Å; M359-F364 HydrophobicContact SD-CD1 4.14Å; G360-F364 WeakPolarHBondContact O-CD1 3.37Å; F361-F364 HydrophobicContact CD2-CD2 4.04Å; F361-F364 AromaticContact CD2-CE2 3.97Å; F361-F364 HydrophobicContact CD2-CE2 3.97Å; F361-F364 HydrophobicContact CD2-CG 4.46Å; F361-F364 HydrophobicContact CD2-CZ 4.3Å; F361-F364 AromaticContact CE2-CD2 3.98Å; F361-F364 HydrophobicContact CE2-CD2 3.98Å; F361-F364 HydrophobicContact CE2-CE2 4.03Å; F361-F364 WeakPolarHBondContact O-CB 3.43Å; F361-F364 WeakPolarHBondContact O-CG 3.38Å; F361-F364 PolarHBondContact O-N 3.24Å; F362-F364 PolarHBondContact O-N 2.83Å; F364-K366 PolarHBondContact O-N 3.36Å; F364-Y367 WeakPolarHBondContact O-CD2 3.45Å; F364-Y367 PolarHBondContact O-N 2.73Å; F364-Q370 PolarHBondContact O-NE2 3.47Å; F364-L385 HydrophobicContact CD2-CD2 4.24Å
365	F	97.8	Very high	97.2	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	2	-179.8	-50.6	-62.9	0	0	0	114	I296 N299 T300 K307 F361 F362 D363 Y367 Y384 G388	I296-F365 HydrophobicContact CD1-CE2 3.91Å; I296-F365 HydrophobicContact CD1-CZ 4.23Å; I296-F365 HydrophobicContact CG2-CE2 3.97Å; I296-F365 HydrophobicContact CG2-CZ 3.77Å; N299-F365 WeakPolarHBondContact O-CD2 3.47Å; T300-F365 WeakPolarHBondContact O-CB 3.31Å; K307-F365 PolarHBondContact NZ-O 2.9Å; F361-F365 HydrophobicContact CD1-CE2 4.13Å; F361-F365 HydrophobicContact CD1-CZ 4.27Å; F361-F365 HydrophobicContact CE1-CE2 4.01Å; F361-F365 AromaticContact CE1-CZ 3.68Å; F361-F365 HydrophobicContact CE1-CZ 3.68Å; F361-F365 HydrophobicContact CZ-CZ 4.47Å; F362-F365 WeakPolarHBondContact O-CD2 3.3Å; F362-F365 PolarHBondContact O-N 3.44Å; D363-F365 PolarHBondContact O-N 3.34Å; F365-Y367 PolarHBondContact O-N 3.1Å; F365-Y384 WeakPolarHBondContact CZ-O 3.26Å; F365-G388 VanDerWaalsContact CE1-CA 3.42Å
366	K	97.9	Very high	97.1	Very high	93 Å²	93	36.9 Å²	36.9	40%	0.404	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-13.7	163.7	-64.4	174.7	-176.7	166.6	0	112.6	K307 T308 D363 F364	K307-K366 CarbonylContact C-O 3.57Å; K307-K366 WeakPolarHBondContact CA-O 3.46Å; T308-K366 PolarHBondContact N-O 3.15Å; T308-K366 PolarHBondContact OG1-O 2.94Å; D363-K366 HydrophobicContact CB-CD 4.24Å; D363-K366 VanDerWaalsContact O-CB 3.27Å; D363-K366 WeakPolarHBondContact O-CB 3.49Å; D363-K366 WeakPolarHBondContact O-CG 3.49Å; D363-K366 PolarHBondContact O-N 2.9Å; D363-K366 VanDerWaalsContact O-N 3.08Å; D363-K366 WeakPolarHBondContact OD1-CE 3.5Å; D363-K366 IonicContact OD1-NZ 2.89Å; D363-K366 PolarHBondContact OD1-NZ 2.83Å; D363-K366 IonicContact OD2-NZ 3.4Å; F364-K366 PolarHBondContact O-N 3.36Å
367	Y	98.7	Very high	97.1	Very high	26 Å²	26	36 Å²	36	10%	0.102	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	140.2	-179.1	-63.9	-102.2	0	0	0	111.1	T308 R310 F312 D337 M359 F364 F365 Q370 S390	T308-Y367 HydrophobicContact CG2-CD1 3.84Å; T308-Y367 HydrophobicContact CG2-CE1 3.93Å; R310-Y367 HydrophobicContact CB-CD1 4.21Å; R310-Y367 HydrophobicContact CB-CE1 4.46Å; F312-Y367 HydrophobicContact CB-CD1 3.77Å; F312-Y367 HydrophobicContact CB-CD2 4.01Å; F312-Y367 HydrophobicContact CB-CE1 4.36Å; F312-Y367 HydrophobicContact CB-CG 3.55Å; F312-Y367 HydrophobicContact CD1-CD2 4.28Å; F312-Y367 AromaticContact CD2-CD1 3.85Å; F312-Y367 HydrophobicContact CD2-CD1 3.85Å; F312-Y367 AromaticContact CD2-CD2 3.59Å; F312-Y367 HydrophobicContact CD2-CD2 3.59Å; F312-Y367 AromaticContact CD2-CE1 3.6Å; F312-Y367 HydrophobicContact CD2-CE1 3.6Å; F312-Y367 AromaticContact CD2-CE2 3.35Å; F312-Y367 HydrophobicContact CD2-CE2 3.35Å; F312-Y367 AromaticContact CD2-CG 3.84Å; F312-Y367 HydrophobicContact CD2-CG 3.84Å; F312-Y367 AromaticContact CD2-CZ 3.33Å; F312-Y367 HydrophobicContact CE2-CD2 4.1Å; F312-Y367 HydrophobicContact CE2-CE1 4.33Å; F312-Y367 AromaticContact CE2-CE2 3.51Å; F312-Y367 HydrophobicContact CE2-CE2 3.51Å; F312-Y367 AromaticContact CE2-CZ 3.62Å; F312-Y367 HydrophobicContact CG-CD1 4.1Å; F312-Y367 AromaticContact CG-CD2 3.68Å; F312-Y367 HydrophobicContact CG-CD2 3.68Å; F312-Y367 HydrophobicContact CG-CE1 4.32Å; F312-Y367 AromaticContact CG-CE2 3.95Å; F312-Y367 HydrophobicContact CG-CE2 3.95Å; F312-Y367 AromaticContact CG-CG 3.77Å; F312-Y367 HydrophobicContact CG-CG 3.77Å; F312-Y367 HydrophobicContact CZ-CE2 4.23Å; D337-Y367 HydrophobicContact CB-CE1 4.02Å; D337-Y367 PolarHBondContact OD2-OH 3.12Å; M359-Y367 HydrophobicContact CE-CE2 4.37Å; M359-Y367 HydrophobicContact SD-CE2 4.31Å; F364-Y367 WeakPolarHBondContact O-CD2 3.45Å; F364-Y367 PolarHBondContact O-N 2.73Å; F365-Y367 PolarHBondContact O-N 3.1Å; Y367-Q370 PolarHBondContact O-NE2 2.99Å; Y367-S390 WeakPolarHBondContact O-CB 3.45Å; Y367-S390 PolarHBondContact O-OG 2.8Å
368	K	98.6	Very high	97.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	-36.1	179.8	-75.2	-170.3	177.2	178.1	0	112.8	W304 K307 T308 E309 S390 L391 D434	W304-K368 HydrophobicContact CH2-CB 4.26Å; W304-K368 HydrophobicContact CH2-CG 4.46Å; W304-K368 HydrophobicContact CZ2-CB 4.45Å; W304-K368 HydrophobicContact CZ2-CD 3.91Å; W304-K368 HydrophobicContact CZ2-CG 4.29Å; W304-K368 WeakPolarHBondContact O-CE 3.32Å; K307-K368 HydrophobicContact CB-CB 4.47Å; K307-K368 HydrophobicContact CB-CG 3.52Å; K307-K368 HydrophobicContact CD-CG 4.35Å; T308-K368 PolarHBondContact O-N 2.93Å; E309-K368 HydrophobicContact CG-CD 4.01Å; E309-K368 IonicContact OE1-NZ 3.4Å; E309-K368 PolarHBondContact OE1-NZ 2.96Å; K368-S390 CarbonylContact O-C 3.53Å; K368-S390 WeakPolarHBondContact O-CA 3.16Å; K368-S390 WeakPolarHBondContact O-CB 3.37Å; K368-L391 PolarHBondContact O-N 3.42Å; K368-D434 IonicContact NZ-OD1 3.8Å; K368-D434 PolarHBondContact NZ-OD1 3.4Å; K368-D434 IonicContact NZ-OD2 2.76Å; K368-D434 PolarHBondContact NZ-OD2 2.92Å
369	Y	98.8	Very high	97.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119.6	-170.5	-31.6	-65.8	0	0	0	111.3	A311 F312 L391 V427 A430 K431	A311-Y369 CarbonylContact C-O 3.47Å; A311-Y369 VanDerWaalsContact CA-O 3.27Å; A311-Y369 WeakPolarHBondContact CA-O 3.12Å; F312-Y369 PolarHBondContact N-O 3.46Å; Y369-L391 CarbonylContact C-O 3.51Å; Y369-L391 WeakPolarHBondContact CA-O 3.5Å; Y369-L391 HydrophobicContact CD1-CB 4.16Å; Y369-L391 HydrophobicContact CD1-CD2 4.11Å; Y369-V427 HydrophobicContact CD2-CG1 4.38Å; Y369-A430 HydrophobicContact CD1-CB 3.92Å; Y369-A430 HydrophobicContact CE1-CB 3.65Å; Y369-K431 HydrophobicContact CE2-CD 4.34Å; Y369-K431 HydrophobicContact CE2-CG 3.61Å; Y369-K431 WeakPolarHBondContact OH-CA 3.23Å; Y369-K431 WeakPolarHBondContact OH-CG 3.36Å
370	Q	98.8	Very high	97.2	Very high	2 Å²	2	19 Å²	19	1%	0.009	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	118.4	178.8	-59.2	-59.9	-43.2	0	0	109.6	F364 Y367 N372 L385 L391 V392 L393	F364-Q370 PolarHBondContact O-NE2 3.47Å; Y367-Q370 PolarHBondContact O-NE2 2.99Å; Q370-N372 PolarHBondContact O-N 3.35Å; Q370-L385 HydrophobicContact CB-CD1 4.06Å; Q370-L385 HydrophobicContact CB-CD2 4.1Å; Q370-L385 HydrophobicContact CB-CG 4.49Å; Q370-L385 HydrophobicContact CG-CD2 4.02Å; Q370-L391 PolarHBondContact N-O 2.97Å; Q370-V392 HydrophobicContact CB-CG2 4.46Å; Q370-V392 WeakPolarHBondContact O-CA 3.46Å; Q370-L393 PolarHBondContact O-N 3.19Å
371	V	98.8	Very high	97.3	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.012	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	116.7	175.6	-165.7	0	0	0	0	109	A311 F312 F313 L325 L336 V373 L393 I416 L423	A311-V371 HydrophobicContact CB-CG2 3.83Å; F312-V371 PolarHBondContact O-N 2.93Å; F313-V371 HydrophobicContact CB-CB 4.45Å; F313-V371 WeakPolarHBondContact CD2-O 3.24Å; L325-V371 HydrophobicContact CD1-CG1 4.05Å; L325-V371 HydrophobicContact CD2-CB 4.41Å; L325-V371 HydrophobicContact CD2-CG1 4.24Å; L336-V371 HydrophobicContact CD1-CG2 3.93Å; V371-V373 HydrophobicContact CG1-CG2 3.77Å; V371-L393 HydrophobicContact CG2-CD1 4.22Å; V371-I416 HydrophobicContact CG1-CD1 3.93Å; V371-L423 HydrophobicContact CG1-CD1 4Å; V371-L423 HydrophobicContact CG1-CD2 4.27Å; V371-L423 HydrophobicContact CG2-CD1 4.13Å
372	N	98.6	Very high	97.4	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	98.8	177.2	-173.8	73.3	0	0	0	110.4	Q370 Y382 L385 V392 L393 Q395	Q370-N372 PolarHBondContact O-N 3.35Å; N372-Y382 HydrophobicContact CB-CD2 4.01Å; N372-L385 HydrophobicContact CB-CD1 4.02Å; N372-V392 HydrophobicContact CB-CG1 3.77Å; N372-L393 PolarHBondContact N-O 3.04Å; N372-Q395 WeakPolarHBondContact O-CB 3.47Å; N372-Q395 PolarHBondContact O-N 2.86Å
373	V	98.1	Very high	97.5	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.075	C	C	.	.			trans	-107.3	133.9	176.9	-176.3	0	0	0	0	109.4	E321 R322 L325 V371 A379 Q395 L420	E321-V373 HydrophobicContact CB-CG1 3.99Å; R322-V373 HydrophobicContact CG-CB 4.22Å; R322-V373 HydrophobicContact CG-CG1 3.77Å; R322-V373 PolarHBondContact NE-O 2.75Å; R322-V373 PolarHBondContact NH2-O 2.91Å; L325-V373 HydrophobicContact CD2-CG2 4.04Å; V371-V373 HydrophobicContact CG1-CG2 3.77Å; V373-A379 WeakPolarHBondContact O-CB 3.4Å; V373-Q395 VanDerWaalsContact CG1-OE1 3.27Å; V373-L420 HydrophobicContact CG2-CD2 4.13Å
374	D	97.4	Very high	97.6	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	6%	0.063	C	C	.	.			trans	-51.9	155.8	175.9	-79.8	-1.3	0	0	0	113.1	R319 R322 V377 S397	R319-D374 IonicContact CZ-OD2 2.72Å; R319-D374 IonicContact NH1-OD2 2.95Å; R319-D374 PolarHBondContact NH1-OD2 3.13Å; R319-D374 IonicContact NH2-OD2 3.9Å; R322-D374 PolarHBondContact NE-O 3.3Å; R322-D374 VanDerWaalsContact NH2-C 3.25Å; R322-D374 PolarHBondContact NH2-O 3.43Å; D374-V377 WeakPolarHBondContact CB-O 3.32Å; D374-S397 VanDerWaalsContact CG-OG 3.3Å; D374-S397 PolarHBondContact OD1-OG 2.73Å; D374-S397 VanDerWaalsContact OD2-CB 3.24Å; D374-S397 WeakPolarHBondContact OD2-CB 3.27Å; D374-S397 PolarHBondContact OD2-OG 3.38Å
375	G	94.9	Very high	97.6	Very high	6 Å²	6	13.1 Å²	13.1	6%	0.062	6%	0.061	C	C	.	.	S	Bend	trans	-103.8	-125.8	171	0	0	0	0	0	110.9	S318 R319 R322 V377	S318-G375 CarbonylContact O-C 3.51Å; S318-G375 WeakPolarHBondContact OG-CA 3.45Å; R319-G375 PolarHBondContact NE-O 2.94Å; R319-G375 PolarHBondContact NH2-O 2.92Å; R319-G375 VanDerWaalsContact NH2-O 3.13Å; R322-G375 VanDerWaalsContact NH2-CA 3.26Å; R322-G375 VanDerWaalsContact NH2-N 3.16Å; G375-V377 VanDerWaalsContact C-N 3.28Å; G375-V377 PolarHBondContact N-O 3.34Å
376	T	94.5	Very high	97.6	Very high	30 Å²	30	13.4 Å²	13.4	18%	0.184	6%	0.062	C	C	.	.	S	Bend	trans	-57.1	-48.3	165	-44.2	0	0	0	0	109.8	D242 W243 R319	D242-T376 HydrophobicContact CB-CG2 3.72Å; D242-T376 WeakPolarHBondContact OD2-CB 3.3Å; D242-T376 WeakPolarHBondContact OD2-CG2 3.1Å; D242-T376 PolarHBondContact OD2-OG1 3.37Å; W243-T376 HydrophobicContact CD2-CG2 4.1Å; W243-T376 HydrophobicContact CH2-CG2 4.09Å; W243-T376 WeakPolarHBondContact CH2-O 3.4Å; W243-T376 HydrophobicContact CZ2-CG2 3.44Å; W243-T376 VanDerWaalsContact CZ2-CG2 3.44Å; W243-T376 WeakPolarHBondContact CZ3-O 3.49Å; R319-T376 PolarHBondContact NH2-O 3.06Å
377	V	96.6	Very high	97.6	Very high	5 Å²	5	9 Å²	9	3%	0.03	4%	0.043	C	C	.	.	S	Bend	trans	-128.6	-153	174.5	-67.4	0	0	0	0	110.6	D242 W243 C263 D374 G375 A379 Y380 Y399	D242-V377 HydrophobicContact CB-CG1 4.38Å; D242-V377 HydrophobicContact CB-CG2 4.28Å; D242-V377 VanDerWaalsContact O-CG1 3.22Å; D242-V377 WeakPolarHBondContact O-CG1 3.32Å; W243-V377 HydrophobicContact CD2-CG1 4.07Å; W243-V377 HydrophobicContact CE3-CG1 3.48Å; W243-V377 VanDerWaalsContact CE3-CG1 3.48Å; W243-V377 HydrophobicContact CZ3-CG1 3.83Å; C263-V377 HydrophobicContact CB-CB 4.29Å; C263-V377 HydrophobicContact CB-CG2 3.93Å; D374-V377 WeakPolarHBondContact CB-O 3.32Å; G375-V377 VanDerWaalsContact C-N 3.28Å; G375-V377 PolarHBondContact N-O 3.34Å; V377-A379 PolarHBondContact O-N 2.89Å; V377-Y380 HydrophobicContact CG2-CE1 4.33Å; V377-Y399 HydrophobicContact CB-CD1 4.06Å; V377-Y399 HydrophobicContact CB-CG 4.09Å; V377-Y399 HydrophobicContact CG1-CD1 3.96Å; V377-Y399 HydrophobicContact CG1-CE1 4.02Å; V377-Y399 HydrophobicContact CG1-CG 4.41Å
378	A	97.3	Very high	97.5	Very high	5 Å²	5	7.8 Å²	7.8	4%	0.041	4%	0.038	C	C	.	.	S	Bend	trans	-48.2	138.1	172.8	0	0	0	0	0	110.8	Y380 E401 Y404	A378-Y380 WeakPolarHBondContact O-CD1 3.42Å; A378-Y380 PolarHBondContact O-N 2.91Å; A378-Y380 VanDerWaalsContact O-N 3.17Å; A378-E401 HydrophobicContact CB-CG 4.11Å; A378-Y404 HydrophobicContact CB-CE2 4.33Å
379	A	96.8	Very high	97.4	Very high	4 Å²	4	9 Å²	9	3%	0.033	5%	0.045	C	C	.	.			trans	-76.5	105.3	-179.4	0	0	0	0	0	111.2	V373 V377 R381 Y382	V373-A379 WeakPolarHBondContact O-CB 3.4Å; V377-A379 PolarHBondContact O-N 2.89Å; A379-R381 HydrophobicContact CB-CG 4.26Å; A379-R381 PolarHBondContact O-N 3.39Å; A379-Y382 VanDerWaalsContact O-CB 3.24Å; A379-Y382 WeakPolarHBondContact O-CB 3.42Å; A379-Y382 PolarHBondContact O-N 2.97Å
380	Y	96	Very high	97.3	Very high	28 Å²	28	9.2 Å²	9.2	11%	0.11	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-4.9	179.3	-59.3	-15.3	0	0	0	115	W262 C263 T275 Y276 V377 A378 Y382 P383 Y384 E401	W262-Y380 WeakPolarHBondContact CB-OH 3.44Å; C263-Y380 HydrophobicContact CB-CE1 4.41Å; T275-Y380 HydrophobicContact CG2-CD1 3.54Å; T275-Y380 HydrophobicContact CG2-CD2 4.39Å; T275-Y380 HydrophobicContact CG2-CE1 3.33Å; T275-Y380 HydrophobicContact CG2-CE2 4.22Å; T275-Y380 HydrophobicContact CG2-CG 4.08Å; Y276-Y380 HydrophobicContact CD1-CE2 4.21Å; Y276-Y380 HydrophobicContact CE1-CD2 4.15Å; Y276-Y380 AromaticContact CE1-CE2 3.58Å; Y276-Y380 HydrophobicContact CE1-CE2 3.58Å; V377-Y380 HydrophobicContact CG2-CE1 4.33Å; A378-Y380 WeakPolarHBondContact O-CD1 3.42Å; A378-Y380 PolarHBondContact O-N 2.91Å; A378-Y380 VanDerWaalsContact O-N 3.17Å; Y380-Y382 VanDerWaalsContact C-N 3.33Å; Y380-P383 WeakPolarHBondContact O-CD 3.44Å; Y380-P383 WeakPolarHBondContact O-CG 3.44Å; Y380-Y384 WeakPolarHBondContact O-CD2 3.48Å; Y380-Y384 WeakPolarHBondContact O-CE2 3.48Å; Y380-E401 HydrophobicContact CD1-CG 4.39Å; Y380-E401 HydrophobicContact CE1-CG 4.47Å
381	R	96.2	Very high	97.3	Very high	58 Å²	58	9.1 Å²	9.1	22%	0.219	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-20.6	167.7	68.9	162.4	41.9	85.7	8.1	113.9	R314 F361 A379 Y384 L385	R314-R381 PolarHBondContact O-NH2 2.93Å; R314-R381 VanDerWaalsContact O-NH2 3.16Å; F361-R381 HydrophobicContact CE2-CB 4.31Å; A379-R381 HydrophobicContact CB-CG 4.26Å; A379-R381 PolarHBondContact O-N 3.39Å; R381-Y384 PolarHBondContact O-N 2.9Å; R381-Y384 VanDerWaalsContact O-N 3.1Å; R381-L385 HydrophobicContact CG-CD1 4.05Å; R381-L385 HydrophobicContact CG-CG 4.36Å; R381-L385 WeakPolarHBondContact O-CG 3.11Å; R381-L385 PolarHBondContact O-N 3.45Å
382	Y	98.4	Very high	97.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-55.4	-46.3	-174.6	-174.6	-123.1	0	0	0	113.8	N372 A379 Y380 Y384 L385 M386 V392 K394 F403 Y404 L407 Y413	N372-Y382 HydrophobicContact CB-CD2 4.01Å; A379-Y382 VanDerWaalsContact O-CB 3.24Å; A379-Y382 WeakPolarHBondContact O-CB 3.42Å; A379-Y382 PolarHBondContact O-N 2.97Å; Y380-Y382 VanDerWaalsContact C-N 3.33Å; Y382-Y384 VanDerWaalsContact C-N 3.26Å; Y382-Y384 PolarHBondContact O-N 3.12Å; Y382-L385 PolarHBondContact O-N 3.35Å; Y382-M386 HydrophobicContact CD1-CG 4.42Å; Y382-M386 HydrophobicContact CD2-CG 3.89Å; Y382-M386 HydrophobicContact CD2-SD 4.46Å; Y382-M386 HydrophobicContact CE1-CG 4.13Å; Y382-M386 HydrophobicContact CE2-CG 3.49Å; Y382-M386 VanDerWaalsContact CE2-CG 3.49Å; Y382-M386 HydrophobicContact CE2-SD 3.55Å; Y382-M386 VanDerWaalsContact CE2-SD 3.55Å; Y382-M386 HydrophobicContact CG-CG 4.34Å; Y382-M386 VanDerWaalsContact O-CG 3.29Å; Y382-M386 WeakPolarHBondContact O-CG 3.29Å; Y382-M386 PolarHBondContact O-N 3.09Å; Y382-M386 PolarHBondContact OH-SD 2.95Å; Y382-V392 HydrophobicContact CD2-CG1 3.84Å; Y382-V392 HydrophobicContact CE2-CB 4.2Å; Y382-V392 HydrophobicContact CE2-CG1 3.55Å; Y382-K394 HydrophobicContact CD2-CG 4.49Å; Y382-K394 HydrophobicContact CE1-CD 3.96Å; Y382-K394 HydrophobicContact CE2-CB 4.19Å; Y382-K394 HydrophobicContact CE2-CD 4.08Å; Y382-K394 HydrophobicContact CE2-CG 3.99Å; Y382-F403 HydrophobicContact CD1-CE2 4.45Å; Y382-F403 HydrophobicContact CD1-CZ 4.01Å; Y382-F403 HydrophobicContact CE1-CE2 4.41Å; Y382-F403 HydrophobicContact CE1-CZ 4.4Å; Y382-Y404 WeakPolarHBondContact CB-OH 3.45Å; Y382-Y404 HydrophobicContact CD1-CD1 4.18Å; Y382-Y404 AromaticContact CD1-CE1 3.32Å; Y382-Y404 HydrophobicContact CD1-CE1 3.32Å; Y382-Y404 HydrophobicContact CD1-CE2 4.32Å; Y382-Y404 AromaticContact CD1-CZ 3.38Å; Y382-Y404 VanDerWaalsContact CD1-OH 3.22Å; Y382-Y404 WeakPolarHBondContact CD1-OH 3.22Å; Y382-Y404 HydrophobicContact CE1-CD1 4.23Å; Y382-Y404 AromaticContact CE1-CE1 3.8Å; Y382-Y404 HydrophobicContact CE1-CE1 3.8Å; Y382-Y404 AromaticContact CE1-CZ 3.96Å; Y382-Y404 HydrophobicContact CG-CE1 4.45Å; Y382-L407 HydrophobicContact CE1-CD1 3.49Å; Y382-L407 VanDerWaalsContact CE1-CD1 3.49Å; Y382-L407 WeakPolarHBondContact OH-CD1 3.17Å; Y382-Y413 VanDerWaalsContact OH-CD1 3.25Å; Y382-Y413 WeakPolarHBondContact OH-CD1 3.27Å
383	P	98.2	Very high	97.4	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-53.4	-42.2	174.2	16.8	-31.5	0	0	0	113	I278 Y380 M386 L387 F403 L452	I278-P383 HydrophobicContact CG2-CB 4.15Å; I278-P383 HydrophobicContact CG2-CG 3.72Å; Y380-P383 WeakPolarHBondContact O-CD 3.44Å; Y380-P383 WeakPolarHBondContact O-CG 3.44Å; P383-M386 PolarHBondContact O-N 3.49Å; P383-L387 WeakPolarHBondContact O-CG 3.42Å; P383-L387 PolarHBondContact O-N 2.84Å; P383-F403 HydrophobicContact CB-CE1 4.07Å; P383-F403 HydrophobicContact CB-CZ 3.86Å; P383-F403 HydrophobicContact CG-CE1 4.4Å; P383-F403 HydrophobicContact CG-CZ 4.43Å; P383-L452 HydrophobicContact CB-CD1 3.45Å; P383-L452 VanDerWaalsContact CB-CD1 3.45Å; P383-L452 HydrophobicContact CB-CD2 4.43Å
384	Y	98.4	Very high	97.4	Very high	15 Å²	15	9.9 Å²	9.9	6%	0.059	5%	0.049	C	C	.	.	H	α-helix	trans	-73.6	-36.8	179.8	-53.7	-86.4	0	0	0	113.3	D277 I278 S281 N291 L293 I296 F361 F365 Y380 R381 Y382 M386 L387 G388	D277-Y384 PolarHBondContact O-OH 3.09Å; D277-Y384 WeakPolarHBondContact OD2-CE2 3.24Å; D277-Y384 PolarHBondContact OD2-OH 3.1Å; I278-Y384 HydrophobicContact CG2-CE2 4.05Å; S281-Y384 VanDerWaalsContact CB-OH 3.29Å; S281-Y384 WeakPolarHBondContact CB-OH 3.44Å; S281-Y384 PolarHBondContact OG-OH 3.13Å; N291-Y384 VanDerWaalsContact O-CE1 3.27Å; N291-Y384 WeakPolarHBondContact O-CE1 3.45Å; L293-Y384 HydrophobicContact CD2-CD1 4.1Å; L293-Y384 HydrophobicContact CD2-CE1 3.74Å; L293-Y384 HydrophobicContact CG-CE1 4.36Å; I296-Y384 HydrophobicContact CG1-CD1 4.02Å; F361-Y384 VanDerWaalsContact CE1-CB 3.45Å; F361-Y384 HydrophobicContact CE1-CG 4.45Å; F361-Y384 VanDerWaalsContact CZ-CB 3.48Å; F361-Y384 HydrophobicContact CZ-CG 4.49Å; F365-Y384 WeakPolarHBondContact CZ-O 3.26Å; Y380-Y384 WeakPolarHBondContact O-CD2 3.48Å; Y380-Y384 WeakPolarHBondContact O-CE2 3.48Å; R381-Y384 PolarHBondContact O-N 2.9Å; R381-Y384 VanDerWaalsContact O-N 3.1Å; Y382-Y384 VanDerWaalsContact C-N 3.26Å; Y382-Y384 PolarHBondContact O-N 3.12Å; Y384-M386 VanDerWaalsContact C-N 3.29Å; Y384-M386 PolarHBondContact O-N 3.2Å; Y384-L387 PolarHBondContact O-N 3.29Å; Y384-G388 PolarHBondContact O-N 3.34Å
385	L	98.6	Very high	97.4	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	5%	0.049	C	C	.	.	H	α-helix	trans	-61.2	-42.6	173.3	-67.2	-178.5	0	0	0	110.9	F361 F364 Q370 N372 R381 Y382 G388 V392	F361-L385 HydrophobicContact CE2-CD2 4.23Å; F361-L385 HydrophobicContact CZ-CD2 3.82Å; F361-L385 HydrophobicContact CZ-CG 4.34Å; F364-L385 HydrophobicContact CD2-CD2 4.24Å; Q370-L385 HydrophobicContact CB-CD1 4.06Å; Q370-L385 HydrophobicContact CB-CD2 4.1Å; Q370-L385 HydrophobicContact CB-CG 4.49Å; Q370-L385 HydrophobicContact CG-CD2 4.02Å; N372-L385 HydrophobicContact CB-CD1 4.02Å; R381-L385 HydrophobicContact CG-CD1 4.05Å; R381-L385 HydrophobicContact CG-CG 4.36Å; R381-L385 WeakPolarHBondContact O-CG 3.11Å; R381-L385 PolarHBondContact O-N 3.45Å; Y382-L385 PolarHBondContact O-N 3.35Å; L385-G388 PolarHBondContact O-N 3.36Å; L385-V392 HydrophobicContact CB-CG2 3.93Å; L385-V392 HydrophobicContact CD1-CG1 4.49Å
386	M	98.4	Very high	97.6	Very high	5 Å²	5	14.5 Å²	14.5	3%	0.025	7%	0.072	C	C	.	.	H	α-helix	trans	-67.7	-34.1	178.4	-67.9	-70.8	-69	0	0	112.4	Y382 P383 Y384 G388 V392 L407 H412 Q445 A448	Y382-M386 HydrophobicContact CD1-CG 4.42Å; Y382-M386 HydrophobicContact CD2-CG 3.89Å; Y382-M386 HydrophobicContact CD2-SD 4.46Å; Y382-M386 HydrophobicContact CE1-CG 4.13Å; Y382-M386 HydrophobicContact CE2-CG 3.49Å; Y382-M386 VanDerWaalsContact CE2-CG 3.49Å; Y382-M386 HydrophobicContact CE2-SD 3.55Å; Y382-M386 VanDerWaalsContact CE2-SD 3.55Å; Y382-M386 HydrophobicContact CG-CG 4.34Å; Y382-M386 VanDerWaalsContact O-CG 3.29Å; Y382-M386 WeakPolarHBondContact O-CG 3.29Å; Y382-M386 PolarHBondContact O-N 3.09Å; Y382-M386 PolarHBondContact OH-SD 2.95Å; P383-M386 PolarHBondContact O-N 3.49Å; Y384-M386 VanDerWaalsContact C-N 3.29Å; Y384-M386 PolarHBondContact O-N 3.2Å; M386-G388 PolarHBondContact O-N 3.21Å; M386-V392 HydrophobicContact CG-CG2 4.28Å; M386-V392 HydrophobicContact SD-CB 3.92Å; M386-V392 HydrophobicContact SD-CG2 3.68Å; M386-L407 HydrophobicContact CE-CD1 4.41Å; M386-L407 HydrophobicContact CE-CD2 4.24Å; M386-H412 HydrophobicContact CE-CB 4.24Å; M386-H412 WeakPolarHBondContact CE-O 3.37Å; M386-Q445 WeakPolarHBondContact O-CA 3.48Å; M386-A448 HydrophobicContact CB-CB 3.63Å
387	L	98.1	Very high	97.7	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	7%	0.069	C	C	.	.	H	α-helix	trans	-68.3	-19.9	174	-75.2	167.1	0	0	0	113.6	L293 I296 Q297 P383 Y384 Q445 A448 R449 L452	L293-L387 HydrophobicContact CB-CD1 4.02Å; L293-L387 HydrophobicContact CD2-CD1 3.56Å; L293-L387 HydrophobicContact CG-CD1 4.4Å; I296-L387 HydrophobicContact CB-CB 4.28Å; I296-L387 HydrophobicContact CG2-CB 3.63Å; Q297-L387 HydrophobicContact CG-CD2 4.15Å; P383-L387 WeakPolarHBondContact O-CG 3.42Å; P383-L387 PolarHBondContact O-N 2.84Å; Y384-L387 PolarHBondContact O-N 3.29Å; L387-Q445 PolarHBondContact O-NE2 3.49Å; L387-A448 HydrophobicContact CD2-CB 4.22Å; L387-A448 HydrophobicContact CG-CB 4.34Å; L387-R449 HydrophobicContact CD2-CB 4.44Å; L387-R449 HydrophobicContact CD2-CG 3.8Å; L387-L452 HydrophobicContact CD1-CD1 4.11Å; L387-L452 HydrophobicContact CG-CD1 4.14Å
388	G	96.6	Very high	97.7	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.075	C	C	.	.	S	Bend	trans	-69.1	-175.9	170	0	0	0	0	0	113.5	F365 Y384 L385 M386 Q445	F365-G388 VanDerWaalsContact CE1-CA 3.42Å; Y384-G388 PolarHBondContact O-N 3.34Å; L385-G388 PolarHBondContact O-N 3.36Å; M386-G388 PolarHBondContact O-N 3.21Å; G388-Q445 VanDerWaalsContact C-NE2 3.26Å; G388-Q445 WeakPolarHBondContact O-CB 3.36Å; G388-Q445 VanDerWaalsContact O-CD 3.3Å; G388-Q445 WeakPolarHBondContact O-CG 3.08Å; G388-Q445 PolarHBondContact O-NE2 3.08Å
389	D	95.4	Very high	97.8	Very high	27 Å²	27	16 Å²	16	14%	0.144	8%	0.079	C	C	.	.	S	Bend	trans	-114.5	19.6	179.9	68.4	-13.2	0	0	0	112.7	T300 K307	T300-D389 VanDerWaalsContact CB-OD1 3.3Å; T300-D389 WeakPolarHBondContact CB-OD1 3.28Å; T300-D389 HydrophobicContact CG2-CB 4.43Å; T300-D389 PolarHBondContact OG1-OD2 3.22Å; K307-D389 WeakPolarHBondContact CE-OD1 3.5Å; K307-D389 WeakPolarHBondContact CE-OD2 3.46Å; K307-D389 IonicContact NZ-OD1 2.71Å; K307-D389 PolarHBondContact NZ-OD1 3.46Å; K307-D389 IonicContact NZ-OD2 3.44Å; K307-D389 PolarHBondContact NZ-OD2 2.79Å; K307-D389 VanDerWaalsContact NZ-OD2 3.08Å
390	S	98.3	Very high	97.8	Very high	3 Å²	3	17 Å²	17	2%	0.021	8%	0.082	C	C	.	.	S	Bend	trans	-96	150.9	173.7	-61	0	0	0	0	110.3	Y367 K368 V392	Y367-S390 WeakPolarHBondContact O-CB 3.45Å; Y367-S390 PolarHBondContact O-OG 2.8Å; K368-S390 CarbonylContact O-C 3.53Å; K368-S390 WeakPolarHBondContact O-CA 3.16Å; K368-S390 WeakPolarHBondContact O-CB 3.37Å; S390-V392 PolarHBondContact O-N 2.88Å
391	L	98.9	Very high	97.9	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	128.2	171.3	175	63.9	0	0	0	110	W304 K368 Y369 Q370 V414 A430 A437 I440 A441	W304-L391 HydrophobicContact CH2-CB 4.12Å; K368-L391 PolarHBondContact O-N 3.42Å; Y369-L391 CarbonylContact C-O 3.51Å; Y369-L391 WeakPolarHBondContact CA-O 3.5Å; Y369-L391 HydrophobicContact CD1-CB 4.16Å; Y369-L391 HydrophobicContact CD1-CD2 4.11Å; Q370-L391 PolarHBondContact N-O 2.97Å; L391-V414 HydrophobicContact CD1-CG2 4.07Å; L391-V414 HydrophobicContact CD2-CG2 4.02Å; L391-V414 HydrophobicContact CG-CG2 4.46Å; L391-A430 HydrophobicContact CD2-CB 3.87Å; L391-A437 HydrophobicContact CD2-CB 3.81Å; L391-I440 HydrophobicContact CD1-CB 3.88Å; L391-I440 HydrophobicContact CD1-CG2 3.52Å; L391-A441 HydrophobicContact CB-CB 4Å; L391-A441 HydrophobicContact CD1-CB 4.44Å
392	V	98.9	Very high	98	Very high	3 Å²	3	13.5 Å²	13.5	2%	0.018	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	125.8	174.4	-169.7	0	0	0	0	111.1	Q370 N372 Y382 L385 M386 S390 Y413 V414	Q370-V392 HydrophobicContact CB-CG2 4.46Å; Q370-V392 WeakPolarHBondContact O-CA 3.46Å; N372-V392 HydrophobicContact CB-CG1 3.77Å; Y382-V392 HydrophobicContact CD2-CG1 3.84Å; Y382-V392 HydrophobicContact CE2-CB 4.2Å; Y382-V392 HydrophobicContact CE2-CG1 3.55Å; L385-V392 HydrophobicContact CB-CG2 3.93Å; L385-V392 HydrophobicContact CD1-CG1 4.49Å; M386-V392 HydrophobicContact CG-CG2 4.28Å; M386-V392 HydrophobicContact SD-CB 3.92Å; M386-V392 HydrophobicContact SD-CG2 3.68Å; S390-V392 PolarHBondContact O-N 2.88Å; V392-Y413 WeakPolarHBondContact O-CB 3.37Å; V392-V414 PolarHBondContact O-N 3.11Å
393	L	98.9	Very high	98	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	98.8	169.2	-65	161.6	0	0	0	107.7	A311 Q370 V371 N372 V414 I416 L423 K426 V427	A311-L393 HydrophobicContact CB-CD1 4.28Å; Q370-L393 PolarHBondContact O-N 3.19Å; V371-L393 HydrophobicContact CG2-CD1 4.22Å; N372-L393 PolarHBondContact N-O 3.04Å; L393-V414 CarbonylContact C-O 3.57Å; L393-V414 VanDerWaalsContact CA-O 3.3Å; L393-V414 WeakPolarHBondContact CA-O 3.48Å; L393-V414 HydrophobicContact CD2-CB 3.76Å; L393-V414 HydrophobicContact CD2-CG1 3.62Å; L393-I416 HydrophobicContact CB-CG2 4.13Å; L393-I416 HydrophobicContact CD2-CG2 4.24Å; L393-L423 HydrophobicContact CD1-CD1 4.11Å; L393-K426 HydrophobicContact CD2-CB 3.92Å; L393-V427 HydrophobicContact CD1-CG2 3.7Å
394	K	98.8	Very high	98	Very high	15 Å²	15	14.9 Å²	14.9	7%	0.065	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	123.7	-171.9	-169.3	-163.9	177.4	-71.4	0	111	Y382 Y413 V414 P415 I416	Y382-K394 HydrophobicContact CD2-CG 4.49Å; Y382-K394 HydrophobicContact CE1-CD 3.96Å; Y382-K394 HydrophobicContact CE2-CB 4.19Å; Y382-K394 HydrophobicContact CE2-CD 4.08Å; Y382-K394 HydrophobicContact CE2-CG 3.99Å; K394-Y413 HydrophobicContact CB-CD2 3.42Å; K394-Y413 VanDerWaalsContact CB-CD2 3.42Å; K394-Y413 HydrophobicContact CB-CE2 3.83Å; K394-Y413 HydrophobicContact CB-CG 4Å; K394-Y413 HydrophobicContact CD-CD1 4.47Å; K394-Y413 HydrophobicContact CD-CD2 4.09Å; K394-Y413 HydrophobicContact CD-CE1 4.24Å; K394-Y413 HydrophobicContact CD-CE2 3.85Å; K394-Y413 HydrophobicContact CD-CG 4.39Å; K394-Y413 HydrophobicContact CG-CD2 4.38Å; K394-Y413 HydrophobicContact CG-CE2 4.42Å; K394-V414 PolarHBondContact N-O 3.47Å; K394-P415 WeakPolarHBondContact O-CA 3.34Å; K394-I416 PolarHBondContact O-N 3.22Å
395	Q	98.3	Very high	97.9	Very high	1 Å²	1	18 Å²	18	1%	0.005	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	134.4	171.9	-166.7	-170.5	20.9	0	0	111.4	N372 V373 S397 I416 R418 L420	N372-Q395 WeakPolarHBondContact O-CB 3.47Å; N372-Q395 PolarHBondContact O-N 2.86Å; V373-Q395 VanDerWaalsContact CG1-OE1 3.27Å; Q395-S397 PolarHBondContact O-N 3.39Å; Q395-I416 VanDerWaalsContact CA-CG1 3.47Å; Q395-I416 HydrophobicContact CB-CD1 4.34Å; Q395-I416 HydrophobicContact CB-CG1 4.14Å; Q395-R418 PolarHBondContact NE2-O 2.83Å; Q395-L420 HydrophobicContact CG-CD2 4.36Å
396	D	97.9	Very high	97.8	Very high	103 Å²	103	19.9 Å²	19.9	55%	0.551	11%	0.106	S	C	*	.	P	Polyproline II helix	trans	-60.2	124.9	165	-178.5	36.2	0	0	0	109.3	I416 R418	D396-I416 WeakPolarHBondContact CB-O 3.45Å; D396-I416 PolarHBondContact N-O 2.54Å; D396-R418 WeakPolarHBondContact O-CB 3.5Å
397	S	96.9	Very high	97.8	Very high	17 Å²	17	20.3 Å²	20.3	12%	0.119	11%	0.109	C	C	.	.			trans	-145.8	137.8	-166	176.2	0	0	0	0	110	D374 Q395 Y399	D374-S397 VanDerWaalsContact CG-OG 3.3Å; D374-S397 PolarHBondContact OD1-OG 2.73Å; D374-S397 VanDerWaalsContact OD2-CB 3.24Å; D374-S397 WeakPolarHBondContact OD2-CB 3.27Å; D374-S397 PolarHBondContact OD2-OG 3.38Å; Q395-S397 PolarHBondContact O-N 3.39Å; S397-Y399 PolarHBondContact O-N 3.33Å; S397-Y399 WeakPolarHBondContact OG-CB 3.5Å; S397-Y399 PolarHBondContact OG-N 2.82Å; S397-Y399 PolarHBondContact OG-O 3.43Å
398	P	96.9	Very high	97.8	Very high	24 Å²	24	24.5 Å²	24.5	16%	0.156	13%	0.128	C	C	.	.	S	Bend	trans	-72.5	-12.9	168.9	33.4	-35.2	0	0	0	112	S265 L266	S265-P398 CarbonylContact C-O 3.6Å; S265-P398 WeakPolarHBondContact CA-O 3.46Å; L266-P398 HydrophobicContact CD1-CB 4.42Å; L266-P398 HydrophobicContact CG-CB 4.38Å; L266-P398 PolarHBondContact N-O 2.89Å
399	Y	98.3	Very high	97.9	Very high	32 Å²	32	27.7 Å²	27.7	13%	0.125	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	144.1	-176.7	-59	-69.7	0	0	0	111.9	W243 P244 G264 V377 S397	W243-Y399 HydrophobicContact CE3-CE1 4Å; W243-Y399 AromaticContact CE3-CZ 3.93Å; W243-Y399 AromaticContact CZ3-CE1 3.95Å; W243-Y399 HydrophobicContact CZ3-CE1 3.95Å; W243-Y399 HydrophobicContact CZ3-CE2 4.02Å; W243-Y399 AromaticContact CZ3-CZ 3.41Å; W243-Y399 VanDerWaalsContact CZ3-CZ 3.41Å; W243-Y399 WeakPolarHBondContact CZ3-OH 3.46Å; P244-Y399 HydrophobicContact CG-CE1 4.45Å; G264-Y399 VanDerWaalsContact O-CA 3.31Å; G264-Y399 WeakPolarHBondContact O-CA 3.4Å; V377-Y399 HydrophobicContact CB-CD1 4.06Å; V377-Y399 HydrophobicContact CB-CG 4.09Å; V377-Y399 HydrophobicContact CG1-CD1 3.96Å; V377-Y399 HydrophobicContact CG1-CE1 4.02Å; V377-Y399 HydrophobicContact CG1-CG 4.41Å; S397-Y399 PolarHBondContact O-N 3.33Å; S397-Y399 WeakPolarHBondContact OG-CB 3.5Å; S397-Y399 PolarHBondContact OG-N 2.82Å; S397-Y399 PolarHBondContact OG-O 3.43Å
400	Y	98.2	Very high	98.1	Very high	25 Å²	25	31.5 Å²	31.5	10%	0.098	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	150.9	177.5	58.2	-93	0	0	0	112.6	Q162 C263 G264 S265 V272	Q162-Y400 VanDerWaalsContact NE2-CE2 3.32Å; C263-Y400 PolarHBondContact SG-O 3.3Å; C263-Y400 VanDerWaalsContact SG-O 3.35Å; G264-Y400 PolarHBondContact N-O 2.74Å; G264-Y400 PolarHBondContact O-N 2.66Å; S265-Y400 WeakPolarHBondContact O-CE1 3.48Å; V272-Y400 HydrophobicContact CG2-CD2 4.25Å; V272-Y400 HydrophobicContact CG2-CE2 3.63Å
401	E	98.2	Very high	98.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.178	C	C	.	.			trans	-99.7	168	165.4	-59.4	179.9	-117.7	0	0	109.7	T275 A378 Y380 F403 Y404	T275-E401 HydrophobicContact CG2-CG 3.98Å; T275-E401 WeakPolarHBondContact CG2-OE2 3.15Å; A378-E401 HydrophobicContact CB-CG 4.11Å; Y380-E401 HydrophobicContact CD1-CG 4.39Å; Y380-E401 HydrophobicContact CE1-CG 4.47Å; E401-F403 HydrophobicContact CB-CD1 4.09Å; E401-F403 HydrophobicContact CB-CE1 4.01Å; E401-F403 PolarHBondContact O-N 2.82Å; E401-Y404 HydrophobicContact CB-CD1 3.82Å; E401-Y404 HydrophobicContact CB-CE1 3.62Å; E401-Y404 HydrophobicContact CG-CD1 4.46Å; E401-Y404 HydrophobicContact CG-CE1 3.79Å; E401-Y404 PolarHBondContact O-N 3.14Å; E401-Y404 VanDerWaalsContact O-N 3.07Å; E401-Y404 PolarHBondContact OE1-OH 3.08Å; E401-Y404 VanDerWaalsContact OE1-OH 3.04Å
402	H	97.9	Very high	98.1	Very high	11 Å²	11	35.5 Å²	35.5	5%	0.051	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	-28	-173.2	74.3	-67.5	0	0	0	116.1	Q162 V272 I278 Y460	Q162-H402 WeakPolarHBondContact CB-O 3.41Å; Q162-H402 WeakPolarHBondContact CG-O 3.26Å; V272-H402 HydrophobicContact CG1-CB 4.16Å; I278-H402 WeakPolarHBondContact CD1-CE1 3.5Å; H402-Y460 HydrophobicContact CB-CE1 3.92Å; H402-Y460 HydrophobicContact CB-CE2 4.15Å
403	F	97.6	Very high	98.1	Very high	9 Å²	9	37 Å²	37	4%	0.039	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	-8.3	-175.1	73.4	-79.6	0	0	0	114.3	Y382 P383 E401 M405 A406 L407 L451 L452	Y382-F403 HydrophobicContact CD1-CE2 4.45Å; Y382-F403 HydrophobicContact CD1-CZ 4.01Å; Y382-F403 HydrophobicContact CE1-CE2 4.41Å; Y382-F403 HydrophobicContact CE1-CZ 4.4Å; P383-F403 HydrophobicContact CB-CE1 4.07Å; P383-F403 HydrophobicContact CB-CZ 3.86Å; P383-F403 HydrophobicContact CG-CE1 4.4Å; P383-F403 HydrophobicContact CG-CZ 4.43Å; E401-F403 HydrophobicContact CB-CD1 4.09Å; E401-F403 HydrophobicContact CB-CE1 4.01Å; E401-F403 PolarHBondContact O-N 2.82Å; F403-M405 PolarHBondContact O-N 3.04Å; F403-M405 VanDerWaalsContact O-N 3.17Å; F403-A406 PolarHBondContact O-N 3.32Å; F403-A406 VanDerWaalsContact O-N 3.17Å; F403-L407 HydrophobicContact CD2-CD1 4.02Å; F403-L407 HydrophobicContact CD2-CG 4.38Å; F403-L407 HydrophobicContact CE2-CD1 3.75Å; F403-L451 HydrophobicContact CB-CB 4.47Å; F403-L451 HydrophobicContact CB-CD1 4.36Å; F403-L451 HydrophobicContact CD2-CD1 4.3Å; F403-L452 HydrophobicContact CD1-CD2 3.95Å; F403-L452 HydrophobicContact CD2-CD2 4.36Å; F403-L452 HydrophobicContact CE1-CD2 4.2Å; F403-L452 HydrophobicContact CE2-CD1 4.49Å; F403-L452 HydrophobicContact CG-CD2 4.04Å; F403-L452 HydrophobicContact CZ-CD1 4.5Å
404	Y	97.8	Very high	98.1	Very high	21 Å²	21	37 Å²	37	8%	0.082	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-62.7	-29.7	-169.8	-81.7	25.4	0	0	0	112.9	A378 Y382 E401 A406 L407	A378-Y404 HydrophobicContact CB-CE2 4.33Å; Y382-Y404 WeakPolarHBondContact CB-OH 3.45Å; Y382-Y404 HydrophobicContact CD1-CD1 4.18Å; Y382-Y404 AromaticContact CD1-CE1 3.32Å; Y382-Y404 HydrophobicContact CD1-CE1 3.32Å; Y382-Y404 HydrophobicContact CD1-CE2 4.32Å; Y382-Y404 AromaticContact CD1-CZ 3.38Å; Y382-Y404 VanDerWaalsContact CD1-OH 3.22Å; Y382-Y404 WeakPolarHBondContact CD1-OH 3.22Å; Y382-Y404 HydrophobicContact CE1-CD1 4.23Å; Y382-Y404 AromaticContact CE1-CE1 3.8Å; Y382-Y404 HydrophobicContact CE1-CE1 3.8Å; Y382-Y404 AromaticContact CE1-CZ 3.96Å; Y382-Y404 HydrophobicContact CG-CE1 4.45Å; E401-Y404 HydrophobicContact CB-CD1 3.82Å; E401-Y404 HydrophobicContact CB-CE1 3.62Å; E401-Y404 HydrophobicContact CG-CD1 4.46Å; E401-Y404 HydrophobicContact CG-CE1 3.79Å; E401-Y404 PolarHBondContact O-N 3.14Å; E401-Y404 VanDerWaalsContact O-N 3.07Å; E401-Y404 PolarHBondContact OE1-OH 3.08Å; E401-Y404 VanDerWaalsContact OE1-OH 3.04Å; Y404-A406 PolarHBondContact O-N 3.31Å; Y404-L407 WeakPolarHBondContact O-CB 3.3Å; Y404-L407 PolarHBondContact O-N 3.32Å
405	M	96.4	Very high	98.1	Very high	79 Å²	79	37.8 Å²	37.8	39%	0.389	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-62.1	-26.2	-179.7	-168.3	-176.9	-46.6	0	0	113.5	P161 Q162 K165 F403 L407	P161-M405 HydrophobicContact CB-SD 3.75Å; Q162-M405 HydrophobicContact CB-CE 4.03Å; Q162-M405 HydrophobicContact CG-CE 4.4Å; Q162-M405 VanDerWaalsContact OE1-CE 3.24Å; K165-M405 HydrophobicContact CB-CE 3.87Å; K165-M405 HydrophobicContact CD-CE 3.3Å; K165-M405 HydrophobicContact CD-SD 4.43Å; K165-M405 HydrophobicContact CG-CE 4.23Å; F403-M405 PolarHBondContact O-N 3.04Å; F403-M405 VanDerWaalsContact O-N 3.17Å; M405-L407 VanDerWaalsContact C-N 3.27Å
406	A	96.9	Very high	98.1	Very high	41 Å²	41	37.9 Å²	37.9	34%	0.339	19%	0.192	S	C	.	.	G	3₁₀ helix	trans	-81.2	-7.4	177.4	0	0	0	0	0	113	F403 Y404 L451	F403-A406 PolarHBondContact O-N 3.32Å; F403-A406 VanDerWaalsContact O-N 3.17Å; Y404-A406 PolarHBondContact O-N 3.31Å; A406-L451 HydrophobicContact CB-CD1 3.63Å; A406-L451 HydrophobicContact CB-CD2 4.07Å
407	L	98.3	Very high	98.1	Very high	14 Å²	14	38.5 Å²	38.5	7%	0.073	19%	0.189	C	C	.	.			trans	-93.1	146.6	-179	-53.9	178.9	0	0	0	110.9	Y382 M386 F403 Y404 M405 H412 Y413 M447 L451	Y382-L407 HydrophobicContact CE1-CD1 3.49Å; Y382-L407 VanDerWaalsContact CE1-CD1 3.49Å; Y382-L407 WeakPolarHBondContact OH-CD1 3.17Å; M386-L407 HydrophobicContact CE-CD1 4.41Å; M386-L407 HydrophobicContact CE-CD2 4.24Å; F403-L407 HydrophobicContact CD2-CD1 4.02Å; F403-L407 HydrophobicContact CD2-CG 4.38Å; F403-L407 HydrophobicContact CE2-CD1 3.75Å; Y404-L407 WeakPolarHBondContact O-CB 3.3Å; Y404-L407 PolarHBondContact O-N 3.32Å; M405-L407 VanDerWaalsContact C-N 3.27Å; L407-H412 HydrophobicContact CD2-CB 4.33Å; L407-Y413 HydrophobicContact CB-CD1 4.27Å; L407-Y413 HydrophobicContact CB-CE1 3.91Å; L407-M447 HydrophobicContact CD2-CB 4.39Å; L407-M447 HydrophobicContact CD2-CG 3.64Å; L407-L451 HydrophobicContact CD2-CD1 4.22Å
408	E	98.6	Very high	98.1	Very high	89 Å²	89	43.1 Å²	43.1	42%	0.416	20%	0.204	S	C	.	.			trans	-129	126.7	-171.9	-71.8	174.4	-124.6	0	0	107.6	K411 H412	E408-K411 HydrophobicContact CB-CB 3.99Å; E408-K411 HydrophobicContact CB-CD 4.15Å; E408-K411 HydrophobicContact CG-CD 4.48Å; E408-K411 PolarHBondContact O-N 3.04Å; E408-K411 IonicContact OE1-NZ 3.75Å; E408-K411 PolarHBondContact OE1-NZ 3.39Å; E408-K411 VanDerWaalsContact OE2-CD 3.24Å; E408-K411 WeakPolarHBondContact OE2-CD 3.4Å; E408-K411 IonicContact OE2-NZ 3.43Å; E408-K411 PolarHBondContact OE2-NZ 2.82Å; E408-H412 PolarHBondContact N-ND1 2.65Å; E408-H412 PolarHBondContact O-N 2.88Å; E408-H412 IonicContact OE1-CE1 3.97Å
409	P	98.7	Very high	98.1	Very high	68 Å²	68	46.5 Å²	46.5	44%	0.442	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-62.4	146.1	175.6	27	-33.6	0	0	0	110.5	K411 Y413 P415	P409-K411 PolarHBondContact O-N 3.41Å; P409-Y413 HydrophobicContact CB-CE2 4.02Å; P409-P415 HydrophobicContact CB-CB 4.26Å; P409-P415 HydrophobicContact CB-CG 3.85Å
410	W	98.7	Very high	98.1	Very high	106 Å²	106	45.2 Å²	45.2	40%	0.402	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.4	-3.1	-176	-58.9	103.5	0	0	0	116.4	Y413 V414 P415 K426 W429 I440	W410-Y413 WeakPolarHBondContact CA-O 3.41Å; W410-Y413 PolarHBondContact N-O 2.96Å; W410-V414 HydrophobicContact CE3-CG1 4.47Å; W410-V414 HydrophobicContact CE3-CG2 3.97Å; W410-V414 HydrophobicContact CH2-CG1 3.82Å; W410-V414 HydrophobicContact CZ2-CG1 4.32Å; W410-V414 HydrophobicContact CZ3-CB 4.46Å; W410-V414 HydrophobicContact CZ3-CG1 3.9Å; W410-V414 HydrophobicContact CZ3-CG2 3.85Å; W410-P415 HydrophobicContact CZ2-CG 4.33Å; W410-K426 HydrophobicContact CH2-CD 3.96Å; W410-K426 HydrophobicContact CZ2-CD 4.28Å; W410-W429 HydrophobicContact CE3-CH2 4.14Å; W410-W429 HydrophobicContact CE3-CZ2 4.35Å; W410-W429 HydrophobicContact CE3-CZ3 4.45Å; W410-W429 HydrophobicContact CH2-CD2 4.43Å; W410-W429 HydrophobicContact CH2-CE3 4.46Å; W410-W429 AromaticContact CZ3-CD2 4Å; W410-W429 HydrophobicContact CZ3-CD2 4Å; W410-W429 AromaticContact CZ3-CE2 3.94Å; W410-W429 AromaticContact CZ3-CE3 3.86Å; W410-W429 HydrophobicContact CZ3-CE3 3.86Å; W410-W429 AromaticContact CZ3-CH2 3.72Å; W410-W429 HydrophobicContact CZ3-CH2 3.72Å; W410-W429 AromaticContact CZ3-CZ2 3.81Å; W410-W429 HydrophobicContact CZ3-CZ2 3.81Å; W410-W429 AromaticContact CZ3-CZ3 3.74Å; W410-W429 HydrophobicContact CZ3-CZ3 3.74Å; W410-I440 HydrophobicContact CE3-CD1 4.34Å; W410-I440 WeakPolarHBondContact O-CD1 3.42Å; W410-I440 WeakPolarHBondContact O-CG1 3.48Å
411	K	98.7	Very high	98.1	Very high	85 Å²	85	47.8 Å²	47.8	37%	0.37	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	-49.2	170.1	-179.9	-178.3	172.3	-175.2	0	111.5	E408 P409 E443	E408-K411 HydrophobicContact CB-CB 3.99Å; E408-K411 HydrophobicContact CB-CD 4.15Å; E408-K411 HydrophobicContact CG-CD 4.48Å; E408-K411 PolarHBondContact O-N 3.04Å; E408-K411 IonicContact OE1-NZ 3.75Å; E408-K411 PolarHBondContact OE1-NZ 3.39Å; E408-K411 VanDerWaalsContact OE2-CD 3.24Å; E408-K411 WeakPolarHBondContact OE2-CD 3.4Å; E408-K411 IonicContact OE2-NZ 3.43Å; E408-K411 PolarHBondContact OE2-NZ 2.82Å; P409-K411 PolarHBondContact O-N 3.41Å; K411-E443 VanDerWaalsContact O-CB 3.25Å; K411-E443 WeakPolarHBondContact O-CB 3.22Å
412	H	98.8	Very high	98.1	Very high	3 Å²	3	48.4 Å²	48.4	1%	0.014	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	-23.6	-176.9	-58	129.4	0	0	0	113	M386 L407 E408 G444 M447	M386-H412 HydrophobicContact CE-CB 4.24Å; M386-H412 WeakPolarHBondContact CE-O 3.37Å; L407-H412 HydrophobicContact CD2-CB 4.33Å; E408-H412 PolarHBondContact N-ND1 2.65Å; E408-H412 PolarHBondContact O-N 2.88Å; E408-H412 IonicContact OE1-CE1 3.97Å; H412-G444 VanDerWaalsContact O-CA 3.26Å; H412-G444 WeakPolarHBondContact O-CA 3.43Å; H412-M447 WeakPolarHBondContact NE2-CE 3.3Å
413	Y	98.9	Very high	98.2	Very high	34 Å²	34	47.9 Å²	47.9	13%	0.133	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-157.6	164.3	179.7	64.2	-92	0	0	0	110.1	Y382 V392 K394 L407 P409 W410 P415	Y382-Y413 VanDerWaalsContact OH-CD1 3.25Å; Y382-Y413 WeakPolarHBondContact OH-CD1 3.27Å; V392-Y413 WeakPolarHBondContact O-CB 3.37Å; K394-Y413 HydrophobicContact CB-CD2 3.42Å; K394-Y413 VanDerWaalsContact CB-CD2 3.42Å; K394-Y413 HydrophobicContact CB-CE2 3.83Å; K394-Y413 HydrophobicContact CB-CG 4Å; K394-Y413 HydrophobicContact CD-CD1 4.47Å; K394-Y413 HydrophobicContact CD-CD2 4.09Å; K394-Y413 HydrophobicContact CD-CE1 4.24Å; K394-Y413 HydrophobicContact CD-CE2 3.85Å; K394-Y413 HydrophobicContact CD-CG 4.39Å; K394-Y413 HydrophobicContact CG-CD2 4.38Å; K394-Y413 HydrophobicContact CG-CE2 4.42Å; L407-Y413 HydrophobicContact CB-CD1 4.27Å; L407-Y413 HydrophobicContact CB-CE1 3.91Å; P409-Y413 HydrophobicContact CB-CE2 4.02Å; W410-Y413 WeakPolarHBondContact CA-O 3.41Å; W410-Y413 PolarHBondContact N-O 2.96Å; Y413-P415 HydrophobicContact CE2-CB 4.07Å
414	V	98.9	Very high	98.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	119.8	172.1	169.6	0	0	0	0	109.5	L391 V392 L393 K394 W410 K426 W429 I440	L391-V414 HydrophobicContact CD1-CG2 4.07Å; L391-V414 HydrophobicContact CD2-CG2 4.02Å; L391-V414 HydrophobicContact CG-CG2 4.46Å; V392-V414 PolarHBondContact O-N 3.11Å; L393-V414 CarbonylContact C-O 3.57Å; L393-V414 VanDerWaalsContact CA-O 3.3Å; L393-V414 WeakPolarHBondContact CA-O 3.48Å; L393-V414 HydrophobicContact CD2-CB 3.76Å; L393-V414 HydrophobicContact CD2-CG1 3.62Å; K394-V414 PolarHBondContact N-O 3.47Å; W410-V414 HydrophobicContact CE3-CG1 4.47Å; W410-V414 HydrophobicContact CE3-CG2 3.97Å; W410-V414 HydrophobicContact CH2-CG1 3.82Å; W410-V414 HydrophobicContact CZ2-CG1 4.32Å; W410-V414 HydrophobicContact CZ3-CB 4.46Å; W410-V414 HydrophobicContact CZ3-CG1 3.9Å; W410-V414 HydrophobicContact CZ3-CG2 3.85Å; V414-K426 HydrophobicContact CG1-CB 4.03Å; V414-K426 HydrophobicContact CG1-CD 4.32Å; V414-K426 HydrophobicContact CG1-CG 4.09Å; V414-W429 HydrophobicContact CG2-CE3 4.39Å; V414-W429 HydrophobicContact CG2-CH2 4.44Å; V414-W429 HydrophobicContact CG2-CZ3 3.73Å; V414-I440 HydrophobicContact CG2-CD1 4.1Å
415	P	98.8	Very high	98.3	Very high	32 Å²	32	53.6 Å²	53.6	21%	0.208	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	141.1	178.1	30.7	-35.4	0	0	0	111.1	K394 P409 W410 Y413	K394-P415 WeakPolarHBondContact O-CA 3.34Å; P409-P415 HydrophobicContact CB-CB 4.26Å; P409-P415 HydrophobicContact CB-CG 3.85Å; W410-P415 HydrophobicContact CZ2-CG 4.33Å; Y413-P415 HydrophobicContact CE2-CB 4.07Å
416	I	98.7	Very high	98.4	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.015	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	148.4	168	67	-177.8	0	0	0	109.2	V371 L393 K394 Q395 D396 L420 L423 K426	V371-I416 HydrophobicContact CG1-CD1 3.93Å; L393-I416 HydrophobicContact CB-CG2 4.13Å; L393-I416 HydrophobicContact CD2-CG2 4.24Å; K394-I416 PolarHBondContact O-N 3.22Å; Q395-I416 VanDerWaalsContact CA-CG1 3.47Å; Q395-I416 HydrophobicContact CB-CD1 4.34Å; Q395-I416 HydrophobicContact CB-CG1 4.14Å; D396-I416 WeakPolarHBondContact CB-O 3.45Å; D396-I416 PolarHBondContact N-O 2.54Å; I416-L420 HydrophobicContact CD1-CD2 3.69Å; I416-L420 HydrophobicContact CG1-CD2 4.38Å; I416-L423 HydrophobicContact CD1-CD1 3.94Å; I416-L423 HydrophobicContact CG2-CD1 4.11Å; I416-K426 HydrophobicContact CG2-CB 4.14Å; I416-K426 HydrophobicContact CG2-CG 3.92Å
417	K	98.6	Very high	98.5	Very high	115 Å²	115	49.3 Å²	49.3	50%	0.5	24%	0.238	S	C	.	.			trans	-59.7	150.1	178	-73.8	173.1	178.3	178.4	0	111.2	N419 L420 S421 D422	K417-N419 VanDerWaalsContact C-N 3.26Å; K417-N419 WeakPolarHBondContact CB-OD1 3.45Å; K417-N419 PolarHBondContact O-N 3.43Å; K417-L420 WeakPolarHBondContact O-CA 3.18Å; K417-L420 PolarHBondContact O-N 2.98Å; K417-S421 VanDerWaalsContact CD-OG 3.26Å; K417-S421 WeakPolarHBondContact CD-OG 3.22Å; K417-D422 WeakPolarHBondContact CB-OD1 3Å; K417-D422 HydrophobicContact CD-CB 4.22Å; K417-D422 PolarHBondContact N-OD1 3.27Å; K417-D422 PolarHBondContact N-OD2 2.83Å
418	R	96.9	Very high	98.5	Very high	115 Å²	115	53.7 Å²	53.7	43%	0.434	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-42.8	179	-173.1	172.4	175.6	-179.5	0.5	112.6	Q395 D396 L420	Q395-R418 PolarHBondContact NE2-O 2.83Å; D396-R418 WeakPolarHBondContact O-CB 3.5Å; R418-L420 VanDerWaalsContact C-N 3.26Å; R418-L420 PolarHBondContact O-N 3.11Å
419	N	96.7	Very high	98.5	Very high	95 Å²	95	52.5 Å²	52.5	51%	0.508	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	11.2	178.8	69.4	-8.5	0	0	0	114.5	K417 S421	K417-N419 VanDerWaalsContact C-N 3.26Å; K417-N419 WeakPolarHBondContact CB-OD1 3.45Å; K417-N419 PolarHBondContact O-N 3.43Å; N419-S421 PolarHBondContact O-N 3.45Å; N419-S421 WeakPolarHBondContact OD1-CB 3.49Å; N419-S421 PolarHBondContact OD1-N 3.34Å; N419-S421 PolarHBondContact OD1-OG 3.41Å; N419-S421 VanDerWaalsContact OD1-OG 3.07Å
420	L	98.3	Very high	98.5	Very high	5 Å²	5	49.2 Å²	49.2	3%	0.026	23%	0.228	C	C	.	.			trans	61.1	9.9	179.7	-48.5	-179.1	0	0	0	115.9	E321 Q324 L325 L328 V373 Q395 I416 K417 R418 D422 L423	E321-L420 HydrophobicContact CB-CD1 4.02Å; E321-L420 HydrophobicContact CB-CG 4.26Å; E321-L420 WeakPolarHBondContact O-CD1 3.41Å; Q324-L420 HydrophobicContact CB-CD1 4.46Å; L325-L420 HydrophobicContact CB-CD1 4.05Å; L325-L420 HydrophobicContact CD1-CD1 4.23Å; L328-L420 HydrophobicContact CD1-CB 4.27Å; V373-L420 HydrophobicContact CG2-CD2 4.13Å; Q395-L420 HydrophobicContact CG-CD2 4.36Å; I416-L420 HydrophobicContact CD1-CD2 3.69Å; I416-L420 HydrophobicContact CG1-CD2 4.38Å; K417-L420 WeakPolarHBondContact O-CA 3.18Å; K417-L420 PolarHBondContact O-N 2.98Å; R418-L420 VanDerWaalsContact C-N 3.26Å; R418-L420 PolarHBondContact O-N 3.11Å; L420-D422 PolarHBondContact O-N 3.08Å; L420-L423 HydrophobicContact CB-CB 4.35Å; L420-L423 VanDerWaalsContact O-CB 3.31Å; L420-L423 WeakPolarHBondContact O-CB 3.41Å; L420-L423 PolarHBondContact O-N 3.1Å
421	S	98.1	Very high	98.5	Very high	78 Å²	78	47.4 Å²	47.4	55%	0.545	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-21.7	-171.9	67	0	0	0	0	114.2	K417 N419	K417-S421 VanDerWaalsContact CD-OG 3.26Å; K417-S421 WeakPolarHBondContact CD-OG 3.22Å; N419-S421 PolarHBondContact O-N 3.45Å; N419-S421 WeakPolarHBondContact OD1-CB 3.49Å; N419-S421 PolarHBondContact OD1-N 3.34Å; N419-S421 PolarHBondContact OD1-OG 3.41Å; N419-S421 VanDerWaalsContact OD1-OG 3.07Å
422	D	98.6	Very high	98.5	Very high	14 Å²	14	50.6 Å²	50.6	8%	0.075	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	4.1	178.2	67.5	-21.1	0	0	0	113.2	K417 L420 L424 E425 K426	K417-D422 WeakPolarHBondContact CB-OD1 3Å; K417-D422 HydrophobicContact CD-CB 4.22Å; K417-D422 PolarHBondContact N-OD1 3.27Å; K417-D422 PolarHBondContact N-OD2 2.83Å; L420-D422 PolarHBondContact O-N 3.08Å; D422-L424 PolarHBondContact O-N 3.08Å; D422-E425 WeakPolarHBondContact O-CB 3.3Å; D422-E425 PolarHBondContact O-N 3.29Å; D422-K426 WeakPolarHBondContact O-CG 3.21Å; D422-K426 PolarHBondContact O-N 3.21Å; D422-K426 WeakPolarHBondContact OD2-CE 3.26Å
423	L	98.8	Very high	98.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57	-50.7	-175.5	171.9	62.4	0	0	0	111.9	L325 L328 L336 V371 L393 I416 L420 E425 K426 V427	L325-L423 HydrophobicContact CD1-CD2 3.14Å; L328-L423 HydrophobicContact CD1-CD2 4.23Å; L336-L423 HydrophobicContact CD2-CD2 4.19Å; V371-L423 HydrophobicContact CG1-CD1 4Å; V371-L423 HydrophobicContact CG1-CD2 4.27Å; V371-L423 HydrophobicContact CG2-CD1 4.13Å; L393-L423 HydrophobicContact CD1-CD1 4.11Å; I416-L423 HydrophobicContact CD1-CD1 3.94Å; I416-L423 HydrophobicContact CG2-CD1 4.11Å; L420-L423 HydrophobicContact CB-CB 4.35Å; L420-L423 VanDerWaalsContact O-CB 3.31Å; L420-L423 WeakPolarHBondContact O-CB 3.41Å; L420-L423 PolarHBondContact O-N 3.1Å; L423-E425 VanDerWaalsContact C-N 3.27Å; L423-E425 PolarHBondContact O-N 3.35Å; L423-K426 PolarHBondContact O-N 3.35Å; L423-K426 VanDerWaalsContact O-N 3.13Å; L423-V427 HydrophobicContact CD1-CG2 4.05Å; L423-V427 HydrophobicContact CG-CG2 4.45Å; L423-V427 WeakPolarHBondContact O-CG2 3.25Å; L423-V427 PolarHBondContact O-N 2.97Å
424	L	98.6	Very high	98.4	Very high	34 Å²	34	53.6 Å²	53.6	18%	0.178	26%	0.257	C	S	.	.	H	α-helix	trans	-65.4	-32.5	-178.2	-62.2	179.3	0	0	0	112.3	L328 N332 D422 K428	L328-L424 HydrophobicContact CD2-CD1 4.11Å; N332-L424 HydrophobicContact CB-CD1 4.31Å; N332-L424 HydrophobicContact CB-CD2 4.11Å; N332-L424 WeakPolarHBondContact ND2-CD1 3.44Å; D422-L424 PolarHBondContact O-N 3.08Å; L424-K428 VanDerWaalsContact O-CG 3.3Å; L424-K428 WeakPolarHBondContact O-CG 3.42Å; L424-K428 PolarHBondContact O-N 3.41Å
425	E	98.6	Very high	98.4	Very high	115 Å²	115	59.8 Å²	59.8	54%	0.537	29%	0.286	S	S	.	.	H	α-helix	trans	-62.7	-47.9	171.6	-178.1	-153.4	120.9	0	0	110.2	D422 L423 V427 K428 W429	D422-E425 WeakPolarHBondContact O-CB 3.3Å; D422-E425 PolarHBondContact O-N 3.29Å; L423-E425 VanDerWaalsContact C-N 3.27Å; L423-E425 PolarHBondContact O-N 3.35Å; E425-V427 VanDerWaalsContact C-N 3.33Å; E425-V427 PolarHBondContact O-N 2.76Å; E425-K428 PolarHBondContact O-N 3.44Å; E425-W429 WeakPolarHBondContact O-CB 3.44Å; E425-W429 PolarHBondContact O-N 2.92Å
426	K	98.8	Very high	98.4	Very high	30 Å²	30	62.1 Å²	62.1	13%	0.13	29%	0.294	C	S	.	.	H	α-helix	trans	-64.8	-35.8	178.6	-61.2	-40.2	180	-160.1	0	113	L393 W410 V414 I416 D422 L423 A430	L393-K426 HydrophobicContact CD2-CB 3.92Å; W410-K426 HydrophobicContact CH2-CD 3.96Å; W410-K426 HydrophobicContact CZ2-CD 4.28Å; V414-K426 HydrophobicContact CG1-CB 4.03Å; V414-K426 HydrophobicContact CG1-CD 4.32Å; V414-K426 HydrophobicContact CG1-CG 4.09Å; I416-K426 HydrophobicContact CG2-CB 4.14Å; I416-K426 HydrophobicContact CG2-CG 3.92Å; D422-K426 WeakPolarHBondContact O-CG 3.21Å; D422-K426 PolarHBondContact O-N 3.21Å; D422-K426 WeakPolarHBondContact OD2-CE 3.26Å; L423-K426 PolarHBondContact O-N 3.35Å; L423-K426 VanDerWaalsContact O-N 3.13Å; K426-A430 WeakPolarHBondContact O-CB 3.24Å; K426-A430 PolarHBondContact O-N 3.37Å
427	V	98.8	Very high	98.4	Very high	0 Å²	0	62 Å²	62	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-65.6	-43.4	174.2	176.1	0	0	0	0	111.1	A311 L335 Y369 L393 L423 E425 A430 K431	A311-V427 HydrophobicContact CB-CG1 4.11Å; A311-V427 HydrophobicContact CB-CG2 3.55Å; L335-V427 HydrophobicContact CB-CG1 4.22Å; L335-V427 HydrophobicContact CD2-CG1 4.47Å; Y369-V427 HydrophobicContact CD2-CG1 4.38Å; L393-V427 HydrophobicContact CD1-CG2 3.7Å; L423-V427 HydrophobicContact CD1-CG2 4.05Å; L423-V427 HydrophobicContact CG-CG2 4.45Å; L423-V427 WeakPolarHBondContact O-CG2 3.25Å; L423-V427 PolarHBondContact O-N 2.97Å; E425-V427 VanDerWaalsContact C-N 3.33Å; E425-V427 PolarHBondContact O-N 2.76Å; V427-A430 PolarHBondContact O-N 2.92Å; V427-K431 WeakPolarHBondContact O-CG 3.1Å; V427-K431 PolarHBondContact O-N 2.63Å; V427-K431 VanDerWaalsContact O-N 3.14Å
428	K	98.7	Very high	98.4	Very high	106 Å²	106	60 Å²	60	46%	0.461	29%	0.285	S	S	.	.	H	α-helix	trans	-62.8	-47	175.5	-72.7	172.6	-177.1	179.9	0	111.4	L335 L424 E425 A430 K431 E432	L335-K428 HydrophobicContact CD1-CD 4.39Å; L335-K428 HydrophobicContact CD1-CG 3.97Å; L335-K428 HydrophobicContact CD2-CG 4.4Å; L424-K428 VanDerWaalsContact O-CG 3.3Å; L424-K428 WeakPolarHBondContact O-CG 3.42Å; L424-K428 PolarHBondContact O-N 3.41Å; E425-K428 PolarHBondContact O-N 3.44Å; K428-A430 VanDerWaalsContact C-N 3.3Å; K428-A430 PolarHBondContact O-N 3.42Å; K428-K431 PolarHBondContact O-N 3.4Å; K428-K431 VanDerWaalsContact O-N 3.11Å; K428-E432 WeakPolarHBondContact O-CG 3.43Å; K428-E432 PolarHBondContact O-N 3.11Å
429	W	98.8	Very high	98.5	Very high	64 Å²	64	60 Å²	60	24%	0.242	29%	0.288	C	S	.	.	H	α-helix	trans	-53.9	-47	174.8	174	86.1	0	0	0	111.7	W410 V414 E425 K431 E432 N433 E436 I440	W410-W429 HydrophobicContact CE3-CH2 4.14Å; W410-W429 HydrophobicContact CE3-CZ2 4.35Å; W410-W429 HydrophobicContact CE3-CZ3 4.45Å; W410-W429 HydrophobicContact CH2-CD2 4.43Å; W410-W429 HydrophobicContact CH2-CE3 4.46Å; W410-W429 AromaticContact CZ3-CD2 4Å; W410-W429 HydrophobicContact CZ3-CD2 4Å; W410-W429 AromaticContact CZ3-CE2 3.94Å; W410-W429 AromaticContact CZ3-CE3 3.86Å; W410-W429 HydrophobicContact CZ3-CE3 3.86Å; W410-W429 AromaticContact CZ3-CH2 3.72Å; W410-W429 HydrophobicContact CZ3-CH2 3.72Å; W410-W429 AromaticContact CZ3-CZ2 3.81Å; W410-W429 HydrophobicContact CZ3-CZ2 3.81Å; W410-W429 AromaticContact CZ3-CZ3 3.74Å; W410-W429 HydrophobicContact CZ3-CZ3 3.74Å; V414-W429 HydrophobicContact CG2-CE3 4.39Å; V414-W429 HydrophobicContact CG2-CH2 4.44Å; V414-W429 HydrophobicContact CG2-CZ3 3.73Å; E425-W429 WeakPolarHBondContact O-CB 3.44Å; E425-W429 PolarHBondContact O-N 2.92Å; W429-K431 VanDerWaalsContact C-N 3.31Å; W429-K431 PolarHBondContact O-N 2.77Å; W429-E432 PolarHBondContact O-N 2.9Å; W429-N433 VanDerWaalsContact CD1-ND2 3.34Å; W429-N433 HydrophobicContact CZ2-CB 4.23Å; W429-N433 PolarHBondContact NE1-ND2 2.95Å; W429-N433 WeakPolarHBondContact O-CB 3.35Å; W429-N433 PolarHBondContact O-N 2.91Å; W429-N433 PolarHBondContact O-ND2 3.27Å; W429-E436 HydrophobicContact CH2-CG 4.22Å; W429-E436 HydrophobicContact CZ2-CG 4.27Å; W429-I440 HydrophobicContact CH2-CD1 3.74Å; W429-I440 HydrophobicContact CZ3-CD1 4.32Å
430	A	98.6	Very high	98.6	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-64.1	-35.3	-179.2	0	0	0	0	0	112.6	Y369 L391 K426 V427 K428 N433 D434 A437	Y369-A430 HydrophobicContact CD1-CB 3.92Å; Y369-A430 HydrophobicContact CE1-CB 3.65Å; L391-A430 HydrophobicContact CD2-CB 3.87Å; K426-A430 WeakPolarHBondContact O-CB 3.24Å; K426-A430 PolarHBondContact O-N 3.37Å; V427-A430 PolarHBondContact O-N 2.92Å; K428-A430 VanDerWaalsContact C-N 3.3Å; K428-A430 PolarHBondContact O-N 3.42Å; A430-N433 CarbonylContact O-C 3.57Å; A430-D434 PolarHBondContact O-N 2.9Å; A430-A437 HydrophobicContact CB-CB 4.14Å
431	K	98.4	Very high	98.6	Very high	68 Å²	68	55.7 Å²	55.7	30%	0.296	27%	0.266	S	S	.	.	H	α-helix	trans	-69.5	-39.9	174.6	-69.3	-179.2	70.1	140.1	0	112.5	E309 L335 Y369 V427 K428 W429 N433	E309-K431 PolarHBondContact O-NZ 3.31Å; L335-K431 HydrophobicContact CD2-CD 3.97Å; Y369-K431 HydrophobicContact CE2-CD 4.34Å; Y369-K431 HydrophobicContact CE2-CG 3.61Å; Y369-K431 WeakPolarHBondContact OH-CA 3.23Å; Y369-K431 WeakPolarHBondContact OH-CG 3.36Å; V427-K431 WeakPolarHBondContact O-CG 3.1Å; V427-K431 PolarHBondContact O-N 2.63Å; V427-K431 VanDerWaalsContact O-N 3.14Å; K428-K431 PolarHBondContact O-N 3.4Å; K428-K431 VanDerWaalsContact O-N 3.11Å; W429-K431 VanDerWaalsContact C-N 3.31Å; W429-K431 PolarHBondContact O-N 2.77Å; K431-N433 VanDerWaalsContact C-N 3.29Å
432	E	98.4	Very high	98.6	Very high	152 Å²	152	55.1 Å²	55.1	71%	0.71	25%	0.254	S	S	*	.	H	α-helix	trans	-75.1	-20.6	179.9	-69.9	165.3	-172.8	0	0	112.4	K428 W429	K428-E432 WeakPolarHBondContact O-CG 3.43Å; K428-E432 PolarHBondContact O-N 3.11Å; W429-E432 PolarHBondContact O-N 2.9Å
433	N	98.6	Very high	98.6	Very high	66 Å²	66	58.2 Å²	58.2	35%	0.353	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123	49.9	-177.2	-59.5	-91.1	0	0	0	111.1	W429 A430 K431 E435 E436 A437	W429-N433 VanDerWaalsContact CD1-ND2 3.34Å; W429-N433 HydrophobicContact CZ2-CB 4.23Å; W429-N433 PolarHBondContact NE1-ND2 2.95Å; W429-N433 WeakPolarHBondContact O-CB 3.35Å; W429-N433 PolarHBondContact O-N 2.91Å; W429-N433 PolarHBondContact O-ND2 3.27Å; A430-N433 CarbonylContact O-C 3.57Å; K431-N433 VanDerWaalsContact C-N 3.29Å; N433-E435 VanDerWaalsContact C-N 3.34Å; N433-E435 PolarHBondContact O-N 3.47Å; N433-E436 HydrophobicContact CB-CB 4.33Å; N433-E436 PolarHBondContact O-N 3.41Å; N433-A437 WeakPolarHBondContact O-CB 3.31Å; N433-A437 PolarHBondContact O-N 3.31Å
434	D	98.6	Very high	98.6	Very high	33 Å²	33	58.2 Å²	58.2	18%	0.176	27%	0.268	C	S	.	.	H	α-helix	trans	-54.8	-41.8	-169	-169.4	64.9	0	0	0	114.2	W304 K368 A430 A437 K438	W304-D434 VanDerWaalsContact NE1-CG 3.27Å; W304-D434 PolarHBondContact NE1-OD1 3.4Å; W304-D434 PolarHBondContact NE1-OD2 2.96Å; K368-D434 IonicContact NZ-OD1 3.8Å; K368-D434 PolarHBondContact NZ-OD1 3.4Å; K368-D434 IonicContact NZ-OD2 2.76Å; K368-D434 PolarHBondContact NZ-OD2 2.92Å; A430-D434 PolarHBondContact O-N 2.9Å; D434-A437 PolarHBondContact O-N 3.07Å; D434-K438 VanDerWaalsContact O-CB 3.27Å; D434-K438 WeakPolarHBondContact O-CB 3.36Å; D434-K438 PolarHBondContact O-N 3.33Å
435	E	98.4	Very high	98.6	Very high	131 Å²	131	56.8 Å²	56.8	61%	0.612	26%	0.26	S	S	*	.	H	α-helix	trans	-68.7	-38	178.9	-69.8	-59.5	149.8	0	0	112.5	N433 K438 K439	N433-E435 VanDerWaalsContact C-N 3.34Å; N433-E435 PolarHBondContact O-N 3.47Å; E435-K438 PolarHBondContact O-N 3.19Å; E435-K438 IonicContact OE2-NZ 3.29Å; E435-K439 WeakPolarHBondContact O-CB 3.46Å; E435-K439 PolarHBondContact O-N 2.81Å
436	E	98.8	Very high	98.6	Very high	80 Å²	80	54.9 Å²	54.9	37%	0.374	25%	0.253	S	S	.	.	H	α-helix	trans	-70.5	-40.6	175.3	-167.3	62	-150.9	0	0	110.6	W429 N433 K438 K439 I440	W429-E436 HydrophobicContact CH2-CG 4.22Å; W429-E436 HydrophobicContact CZ2-CG 4.27Å; N433-E436 HydrophobicContact CB-CB 4.33Å; N433-E436 PolarHBondContact O-N 3.41Å; E436-K438 VanDerWaalsContact C-N 3.32Å; E436-K438 PolarHBondContact O-N 3.41Å; E436-K439 WeakPolarHBondContact O-CB 3.2Å; E436-K439 PolarHBondContact O-N 2.65Å; E436-K439 IonicContact OE1-NZ 2.83Å; E436-K439 PolarHBondContact OE1-NZ 3.22Å; E436-K439 IonicContact OE2-NZ 3.95Å; E436-I440 HydrophobicContact CG-CD1 4.42Å; E436-I440 WeakPolarHBondContact O-CG1 3.3Å; E436-I440 PolarHBondContact O-N 3.17Å
437	A	98.8	Very high	98.6	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-57.5	-44.9	173.6	0	0	0	0	0	111.9	W304 L391 A430 N433 D434 I440 A441	W304-A437 HydrophobicContact CH2-CB 4.45Å; W304-A437 HydrophobicContact CZ2-CB 4.23Å; L391-A437 HydrophobicContact CD2-CB 3.81Å; A430-A437 HydrophobicContact CB-CB 4.14Å; N433-A437 WeakPolarHBondContact O-CB 3.31Å; N433-A437 PolarHBondContact O-N 3.31Å; D434-A437 PolarHBondContact O-N 3.07Å; A437-I440 PolarHBondContact O-N 2.81Å; A437-A441 WeakPolarHBondContact O-CB 3.44Å; A437-A441 PolarHBondContact O-N 2.89Å
438	K	98.5	Very high	98.6	Very high	73 Å²	73	55.7 Å²	55.7	32%	0.317	26%	0.258	S	S	.	.	H	α-helix	trans	-64.2	-40	175.8	-176	-175.2	176.2	-170.1	0	112.4	W304 D434 E435 E436 A441 K442	W304-K438 HydrophobicContact CB-CD 4.39Å; W304-K438 HydrophobicContact CD2-CB 3.95Å; W304-K438 HydrophobicContact CD2-CD 4.23Å; W304-K438 HydrophobicContact CD2-CG 3.77Å; W304-K438 HydrophobicContact CE3-CB 4.42Å; W304-K438 HydrophobicContact CE3-CG 4.21Å; W304-K438 HydrophobicContact CG-CB 4.41Å; W304-K438 HydrophobicContact CG-CD 3.86Å; W304-K438 HydrophobicContact CG-CG 3.9Å; W304-K438 HydrophobicContact CH2-CB 4.27Å; W304-K438 HydrophobicContact CZ2-CB 3.78Å; D434-K438 VanDerWaalsContact O-CB 3.27Å; D434-K438 WeakPolarHBondContact O-CB 3.36Å; D434-K438 PolarHBondContact O-N 3.33Å; E435-K438 PolarHBondContact O-N 3.19Å; E435-K438 IonicContact OE2-NZ 3.29Å; E436-K438 VanDerWaalsContact C-N 3.32Å; E436-K438 PolarHBondContact O-N 3.41Å; K438-A441 WeakPolarHBondContact O-CB 3.47Å; K438-A441 PolarHBondContact O-N 3.43Å; K438-K442 WeakPolarHBondContact O-CB 3.26Å; K438-K442 PolarHBondContact O-N 2.93Å
439	K	98.7	Very high	98.5	Very high	115 Å²	115	51 Å²	51	50%	0.5	24%	0.238	S	C	.	.	H	α-helix	trans	-62.7	-48.7	175.9	-179.3	-175.1	166.3	-155.1	0	111.1	E435 E436 A441 K442 E443	E435-K439 WeakPolarHBondContact O-CB 3.46Å; E435-K439 PolarHBondContact O-N 2.81Å; E436-K439 WeakPolarHBondContact O-CB 3.2Å; E436-K439 PolarHBondContact O-N 2.65Å; E436-K439 IonicContact OE1-NZ 2.83Å; E436-K439 PolarHBondContact OE1-NZ 3.22Å; E436-K439 IonicContact OE2-NZ 3.95Å; K439-A441 VanDerWaalsContact C-N 3.31Å; K439-A441 PolarHBondContact O-N 2.88Å; K439-K442 PolarHBondContact O-N 3.45Å; K439-K442 VanDerWaalsContact O-N 3.11Å; K439-E443 WeakPolarHBondContact O-CG 3.48Å; K439-E443 PolarHBondContact O-N 3.37Å
440	I	98.9	Very high	98.4	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	25%	0.245	C	C	.	.	H	α-helix	trans	-59.1	-44	175.7	-64.7	171.8	0	0	0	110.7	L391 W410 V414 W429 E436 A437 K442 E443 G444	L391-I440 HydrophobicContact CD1-CB 3.88Å; L391-I440 HydrophobicContact CD1-CG2 3.52Å; W410-I440 HydrophobicContact CE3-CD1 4.34Å; W410-I440 WeakPolarHBondContact O-CD1 3.42Å; W410-I440 WeakPolarHBondContact O-CG1 3.48Å; V414-I440 HydrophobicContact CG2-CD1 4.1Å; W429-I440 HydrophobicContact CH2-CD1 3.74Å; W429-I440 HydrophobicContact CZ3-CD1 4.32Å; E436-I440 HydrophobicContact CG-CD1 4.42Å; E436-I440 WeakPolarHBondContact O-CG1 3.3Å; E436-I440 PolarHBondContact O-N 3.17Å; A437-I440 PolarHBondContact O-N 2.81Å; I440-K442 VanDerWaalsContact C-N 3.3Å; I440-K442 PolarHBondContact O-N 3.37Å; I440-E443 PolarHBondContact O-N 3.23Å; I440-G444 PolarHBondContact O-N 3.07Å
441	A	98.7	Very high	98.3	Very high	6 Å²	6	52.6 Å²	52.6	5%	0.05	25%	0.251	C	S	.	.	H	α-helix	trans	-57.9	-43.7	175.4	0	0	0	0	0	111.8	W304 L391 A437 K438 K439 Q445	W304-A441 HydrophobicContact CH2-CB 4.38Å; W304-A441 HydrophobicContact CZ3-CB 3.95Å; L391-A441 HydrophobicContact CB-CB 4Å; L391-A441 HydrophobicContact CD1-CB 4.44Å; A437-A441 WeakPolarHBondContact O-CB 3.44Å; A437-A441 PolarHBondContact O-N 2.89Å; K438-A441 WeakPolarHBondContact O-CB 3.47Å; K438-A441 PolarHBondContact O-N 3.43Å; K439-A441 VanDerWaalsContact C-N 3.31Å; K439-A441 PolarHBondContact O-N 2.88Å; A441-Q445 WeakPolarHBondContact O-CB 3.28Å; A441-Q445 PolarHBondContact O-N 3.02Å
442	K	98.2	Very high	98.3	Very high	67 Å²	67	49.4 Å²	49.4	29%	0.291	24%	0.237	S	C	.	.	H	α-helix	trans	-67.2	-45.7	179.7	-175.4	60.2	178.7	-176	0	112.3	D97 K438 K439 I440 Q445 L446	D97-K442 IonicContact OD2-NZ 3.31Å; D97-K442 PolarHBondContact OD2-NZ 3.33Å; K438-K442 WeakPolarHBondContact O-CB 3.26Å; K438-K442 PolarHBondContact O-N 2.93Å; K439-K442 PolarHBondContact O-N 3.45Å; K439-K442 VanDerWaalsContact O-N 3.11Å; I440-K442 VanDerWaalsContact C-N 3.3Å; I440-K442 PolarHBondContact O-N 3.37Å; K442-Q445 PolarHBondContact O-N 3.01Å; K442-L446 HydrophobicContact CD-CG 4.41Å; K442-L446 HydrophobicContact CG-CD1 4.21Å; K442-L446 HydrophobicContact CG-CG 4.5Å; K442-L446 VanDerWaalsContact O-CG 3.31Å; K442-L446 WeakPolarHBondContact O-CG 3.32Å; K442-L446 PolarHBondContact O-N 2.66Å
443	E	98.8	Very high	98.3	Very high	78 Å²	78	43.8 Å²	43.8	36%	0.364	21%	0.211	S	C	.	.	H	α-helix	trans	-61.1	-45.1	177	-70.8	-60.4	141.6	0	0	111.1	K411 K439 I440 Q445 L446 M447	K411-E443 VanDerWaalsContact O-CB 3.25Å; K411-E443 WeakPolarHBondContact O-CB 3.22Å; K439-E443 WeakPolarHBondContact O-CG 3.48Å; K439-E443 PolarHBondContact O-N 3.37Å; I440-E443 PolarHBondContact O-N 3.23Å; E443-Q445 VanDerWaalsContact C-N 3.34Å; E443-Q445 PolarHBondContact O-N 2.83Å; E443-L446 PolarHBondContact O-N 3.47Å; E443-M447 WeakPolarHBondContact O-CB 3.3Å; E443-M447 PolarHBondContact O-N 2.8Å
444	G	98.7	Very high	98.2	Very high	1 Å²	1	41 Å²	41	1%	0.01	20%	0.196	C	C	.	.	H	α-helix	trans	-58.4	-44.6	173.8	0	0	0	0	0	112.9	H412 I440 M447 A448	H412-G444 VanDerWaalsContact O-CA 3.26Å; H412-G444 WeakPolarHBondContact O-CA 3.43Å; I440-G444 PolarHBondContact O-N 3.07Å; G444-M447 PolarHBondContact O-N 2.76Å; G444-A448 WeakPolarHBondContact O-CB 3.34Å; G444-A448 PolarHBondContact O-N 2.94Å
445	Q	98.4	Very high	98.1	Very high	4 Å²	4	40.3 Å²	40.3	2%	0.019	19%	0.192	C	C	.	.	H	α-helix	trans	-61.9	-45	176	-178.9	-170.9	69.9	0	0	112.6	M386 L387 G388 A441 K442 E443 M447 A448 R449	M386-Q445 WeakPolarHBondContact O-CA 3.48Å; L387-Q445 PolarHBondContact O-NE2 3.49Å; G388-Q445 VanDerWaalsContact C-NE2 3.26Å; G388-Q445 WeakPolarHBondContact O-CB 3.36Å; G388-Q445 VanDerWaalsContact O-CD 3.3Å; G388-Q445 WeakPolarHBondContact O-CG 3.08Å; G388-Q445 PolarHBondContact O-NE2 3.08Å; A441-Q445 WeakPolarHBondContact O-CB 3.28Å; A441-Q445 PolarHBondContact O-N 3.02Å; K442-Q445 PolarHBondContact O-N 3.01Å; E443-Q445 VanDerWaalsContact C-N 3.34Å; E443-Q445 PolarHBondContact O-N 2.83Å; Q445-M447 VanDerWaalsContact C-N 3.34Å; Q445-A448 PolarHBondContact O-N 3.44Å; Q445-R449 HydrophobicContact CG-CG 4.34Å; Q445-R449 WeakPolarHBondContact O-CB 3.03Å; Q445-R449 VanDerWaalsContact O-CG 3.23Å; Q445-R449 WeakPolarHBondContact O-CG 3.39Å; Q445-R449 PolarHBondContact O-N 2.75Å; Q445-R449 VanDerWaalsContact OE1-NH1 3.07Å
446	L	98.1	Very high	98.1	Very high	74 Å²	74	36.1 Å²	36.1	39%	0.387	17%	0.17	S	C	.	.	H	α-helix	trans	-62.6	-44.2	178.8	-71.5	173.3	0	0	0	111	K442 E443 R449 D450	K442-L446 HydrophobicContact CD-CG 4.41Å; K442-L446 HydrophobicContact CG-CD1 4.21Å; K442-L446 HydrophobicContact CG-CG 4.5Å; K442-L446 VanDerWaalsContact O-CG 3.31Å; K442-L446 WeakPolarHBondContact O-CG 3.32Å; K442-L446 PolarHBondContact O-N 2.66Å; E443-L446 PolarHBondContact O-N 3.47Å; L446-R449 PolarHBondContact O-N 2.71Å; L446-D450 PolarHBondContact O-N 3.04Å; L446-D450 VanDerWaalsContact O-N 3.1Å
447	M	98.3	Very high	98	Very high	47 Å²	47	32.5 Å²	32.5	23%	0.232	15%	0.154	C	C	.	.	H	α-helix	trans	-62	-45.3	176.4	-174	57.1	76.4	0	0	111.8	L407 H412 E443 G444 Q445 R449 D450 L451	L407-M447 HydrophobicContact CD2-CB 4.39Å; L407-M447 HydrophobicContact CD2-CG 3.64Å; H412-M447 WeakPolarHBondContact NE2-CE 3.3Å; E443-M447 WeakPolarHBondContact O-CB 3.3Å; E443-M447 PolarHBondContact O-N 2.8Å; G444-M447 PolarHBondContact O-N 2.76Å; Q445-M447 VanDerWaalsContact C-N 3.34Å; M447-R449 PolarHBondContact O-N 2.89Å; M447-D450 PolarHBondContact O-N 3.11Å; M447-L451 HydrophobicContact CG-CD1 3.66Å; M447-L451 HydrophobicContact CG-CG 4.32Å; M447-L451 VanDerWaalsContact O-CG 3.32Å; M447-L451 WeakPolarHBondContact O-CG 3.37Å; M447-L451 PolarHBondContact O-N 2.91Å; M447-L451 HydrophobicContact SD-CD1 3.73Å; M447-L451 HydrophobicContact SD-CD2 4.43Å; M447-L451 HydrophobicContact SD-CG 3.94Å
448	A	98.3	Very high	98	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-64.6	-39.1	177.4	0	0	0	0	0	112.9	M386 L387 G444 Q445 D450 L451 L452	M386-A448 HydrophobicContact CB-CB 3.63Å; L387-A448 HydrophobicContact CD2-CB 4.22Å; L387-A448 HydrophobicContact CG-CB 4.34Å; G444-A448 WeakPolarHBondContact O-CB 3.34Å; G444-A448 PolarHBondContact O-N 2.94Å; Q445-A448 PolarHBondContact O-N 3.44Å; A448-D450 PolarHBondContact O-N 3.44Å; A448-L451 PolarHBondContact O-N 2.86Å; A448-L452 HydrophobicContact CB-CD1 4.23Å; A448-L452 VanDerWaalsContact O-CB 3.24Å; A448-L452 WeakPolarHBondContact O-CB 3.47Å; A448-L452 WeakPolarHBondContact O-CG 3.4Å; A448-L452 PolarHBondContact O-N 3.3Å
449	R	97.7	Very high	98	Very high	9 Å²	9	29.1 Å²	29.1	3%	0.034	14%	0.139	C	C	.	.	H	α-helix	trans	-66.3	-22.9	175.6	-73.8	176.4	173.5	174.8	-13	113.1	R95 D97 Q297 L387 Q445 L446 M447 Q453	R95-R449 VanDerWaalsContact NH2-CD 3.3Å; D97-R449 IonicContact OD2-CZ 3.8Å; D97-R449 IonicContact OD2-NH1 2.74Å; D97-R449 PolarHBondContact OD2-NH1 3.48Å; Q297-R449 HydrophobicContact CG-CG 4.26Å; Q297-R449 PolarHBondContact O-NH2 3.41Å; L387-R449 HydrophobicContact CD2-CB 4.44Å; L387-R449 HydrophobicContact CD2-CG 3.8Å; Q445-R449 HydrophobicContact CG-CG 4.34Å; Q445-R449 WeakPolarHBondContact O-CB 3.03Å; Q445-R449 VanDerWaalsContact O-CG 3.23Å; Q445-R449 WeakPolarHBondContact O-CG 3.39Å; Q445-R449 PolarHBondContact O-N 2.75Å; Q445-R449 VanDerWaalsContact OE1-NH1 3.07Å; L446-R449 PolarHBondContact O-N 2.71Å; M447-R449 PolarHBondContact O-N 2.89Å; R449-Q453 WeakPolarHBondContact O-CG 3.07Å; R449-Q453 PolarHBondContact O-NE2 3.43Å; R449-Q453 VanDerWaalsContact O-NE2 3.08Å
450	D	96.6	Very high	98	Very high	75 Å²	75	24 Å²	24	40%	0.401	12%	0.116	S	C	.	.	H	α-helix	trans	-83.3	-48.3	173.4	-177.5	62.3	0	0	0	111.9	L446 M447 A448 Q453 R456	L446-D450 PolarHBondContact O-N 3.04Å; L446-D450 VanDerWaalsContact O-N 3.1Å; M447-D450 PolarHBondContact O-N 3.11Å; A448-D450 PolarHBondContact O-N 3.44Å; D450-Q453 WeakPolarHBondContact O-CG 3.43Å; D450-R456 WeakPolarHBondContact O-CD 3.43Å; D450-R456 PolarHBondContact O-NH1 2.95Å; D450-R456 IonicContact OD1-NH1 2.76Å; D450-R456 IonicContact OD2-CZ 2.91Å; D450-R456 IonicContact OD2-NH1 3.8Å; D450-R456 PolarHBondContact OD2-NH1 3.07Å
451	L	97.3	Very high	98	Very high	22 Å²	22	24 Å²	24	12%	0.115	12%	0.116	C	C	.	.	H	α-helix	trans	-73.7	-35.2	-174.8	-64.6	171.7	0	0	0	113.4	F403 A406 L407 M447 A448 Q453	F403-L451 HydrophobicContact CB-CB 4.47Å; F403-L451 HydrophobicContact CB-CD1 4.36Å; F403-L451 HydrophobicContact CD2-CD1 4.3Å; A406-L451 HydrophobicContact CB-CD1 3.63Å; A406-L451 HydrophobicContact CB-CD2 4.07Å; L407-L451 HydrophobicContact CD2-CD1 4.22Å; M447-L451 HydrophobicContact CG-CD1 3.66Å; M447-L451 HydrophobicContact CG-CG 4.32Å; M447-L451 VanDerWaalsContact O-CG 3.32Å; M447-L451 WeakPolarHBondContact O-CG 3.37Å; M447-L451 PolarHBondContact O-N 2.91Å; M447-L451 HydrophobicContact SD-CD1 3.73Å; M447-L451 HydrophobicContact SD-CD2 4.43Å; M447-L451 HydrophobicContact SD-CG 3.94Å; A448-L451 PolarHBondContact O-N 2.86Å; L451-Q453 VanDerWaalsContact C-N 3.35Å; L451-Q453 PolarHBondContact O-N 3.26Å
452	L	97.8	Very high	98	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	27	-171.6	-56.4	174.2	0	0	0	113.2	P383 L387 F403 A448	P383-L452 HydrophobicContact CB-CD1 3.45Å; P383-L452 VanDerWaalsContact CB-CD1 3.45Å; P383-L452 HydrophobicContact CB-CD2 4.43Å; L387-L452 HydrophobicContact CD1-CD1 4.11Å; L387-L452 HydrophobicContact CG-CD1 4.14Å; F403-L452 HydrophobicContact CD1-CD2 3.95Å; F403-L452 HydrophobicContact CD2-CD2 4.36Å; F403-L452 HydrophobicContact CE1-CD2 4.2Å; F403-L452 HydrophobicContact CE2-CD1 4.49Å; F403-L452 HydrophobicContact CG-CD2 4.04Å; F403-L452 HydrophobicContact CZ-CD1 4.5Å; A448-L452 HydrophobicContact CB-CD1 4.23Å; A448-L452 VanDerWaalsContact O-CB 3.24Å; A448-L452 WeakPolarHBondContact O-CB 3.47Å; A448-L452 WeakPolarHBondContact O-CG 3.4Å; A448-L452 PolarHBondContact O-N 3.3Å
453	Q	97.4	Very high	98	Very high	34 Å²	34	21.9 Å²	21.9	16%	0.159	11%	0.106	C	C	.	.			trans	-69.4	132.8	175.5	-71.6	-178.6	1.2	0	0	110.2	Y49 R449 D450 L451 H455 R456 L457	Y49-Q453 WeakPolarHBondContact OH-CB 3.31Å; R449-Q453 WeakPolarHBondContact O-CG 3.07Å; R449-Q453 PolarHBondContact O-NE2 3.43Å; R449-Q453 VanDerWaalsContact O-NE2 3.08Å; D450-Q453 WeakPolarHBondContact O-CG 3.43Å; L451-Q453 VanDerWaalsContact C-N 3.35Å; L451-Q453 PolarHBondContact O-N 3.26Å; Q453-H455 VanDerWaalsContact C-N 3.26Å; Q453-H455 PolarHBondContact O-N 2.76Å; Q453-H455 VanDerWaalsContact O-N 3.1Å; Q453-H455 PolarHBondContact OE1-CE1 2.74Å; Q453-H455 PolarHBondContact OE1-NE2 2.8Å; Q453-R456 HydrophobicContact CB-CB 4.3Å; Q453-R456 HydrophobicContact CB-CG 4.35Å; Q453-R456 WeakPolarHBondContact O-CA 3.4Å; Q453-R456 WeakPolarHBondContact O-CB 3.38Å; Q453-R456 PolarHBondContact O-N 3.33Å; Q453-L457 WeakPolarHBondContact O-CD1 3.5Å; Q453-L457 PolarHBondContact O-N 3.47Å; Q453-L457 VanDerWaalsContact O-N 3.15Å
454	P	97.3	Very high	98	Very high	7 Å²	7	18.2 Å²	18.2	5%	0.045	9%	0.089	C	C	.	.	H	α-helix	trans	-47.6	-43.6	-179	-35.2	36.7	0	0	0	114.8	Y49 T282 L294 L457 Y458	Y49-P454 HydrophobicContact CD1-CG 4.34Å; Y49-P454 HydrophobicContact CE1-CB 3.96Å; Y49-P454 HydrophobicContact CE1-CG 3.8Å; T282-P454 HydrophobicContact CG2-CB 3.84Å; L294-P454 HydrophobicContact CD1-CG 4.17Å; L294-P454 HydrophobicContact CD2-CG 3.97Å; L294-P454 HydrophobicContact CG-CG 4.11Å; P454-L457 WeakPolarHBondContact O-CB 3.19Å; P454-L457 PolarHBondContact O-N 3.06Å; P454-Y458 VanDerWaalsContact O-CD2 3.29Å; P454-Y458 WeakPolarHBondContact O-CD2 3.36Å; P454-Y458 PolarHBondContact O-N 3.1Å
455	H	97.4	Very high	98	Very high	19 Å²	19	18.2 Å²	18.2	9%	0.088	9%	0.089	C	C	.	.	H	α-helix	trans	-70.1	-31.9	178.8	65.6	-86	0	0	0	113.5	L45 Y49 L154 Q453 L457 Y458 C459	L45-H455 HydrophobicContact CD1-CB 4.18Å; L45-H455 HydrophobicContact CD2-CB 4.07Å; Y49-H455 AromaticContact CZ-ND1 3.76Å; Y49-H455 PolarHBondContact OH-CE1 2.82Å; Y49-H455 PolarHBondContact OH-ND1 2.85Å; L154-H455 HydrophobicContact CD2-CB 4.13Å; L154-H455 PolarHBondContact O-CD2 3.13Å; Q453-H455 VanDerWaalsContact C-N 3.26Å; Q453-H455 PolarHBondContact O-N 2.76Å; Q453-H455 VanDerWaalsContact O-N 3.1Å; Q453-H455 PolarHBondContact OE1-CE1 2.74Å; Q453-H455 PolarHBondContact OE1-NE2 2.8Å; H455-L457 VanDerWaalsContact C-N 3.32Å; H455-Y458 PolarHBondContact O-N 3Å; H455-C459 PolarHBondContact O-N 2.83Å; H455-C459 PolarHBondContact O-SG 3.07Å
456	R	96.9	Very high	98	Very high	42 Å²	42	20.7 Å²	20.7	16%	0.158	10%	0.1	C	C	.	.	H	α-helix	trans	-66.2	-35.2	173.4	-80.6	-171.2	86.4	161.4	2.2	111.9	E160 D450 Q453 Y458 C459 Y460	E160-R456 IonicContact OE1-NH2 3.72Å; D450-R456 WeakPolarHBondContact O-CD 3.43Å; D450-R456 PolarHBondContact O-NH1 2.95Å; D450-R456 IonicContact OD1-NH1 2.76Å; D450-R456 IonicContact OD2-CZ 2.91Å; D450-R456 IonicContact OD2-NH1 3.8Å; D450-R456 PolarHBondContact OD2-NH1 3.07Å; Q453-R456 HydrophobicContact CB-CB 4.3Å; Q453-R456 HydrophobicContact CB-CG 4.35Å; Q453-R456 WeakPolarHBondContact O-CA 3.4Å; Q453-R456 WeakPolarHBondContact O-CB 3.38Å; Q453-R456 PolarHBondContact O-N 3.33Å; R456-Y458 VanDerWaalsContact C-N 3.33Å; R456-Y458 PolarHBondContact O-N 2.78Å; R456-C459 WeakPolarHBondContact O-CB 3.48Å; R456-C459 PolarHBondContact O-N 2.82Å; R456-Y460 WeakPolarHBondContact O-CB 3.44Å; R456-Y460 PolarHBondContact O-N 2.89Å
457	L	97.3	Very high	98	Very high	5 Å²	5	20.1 Å²	20.1	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-58.4	-47.2	173.5	-90	62.5	0	0	0	110.4	P274 I278 T282 L293 Q453 P454 H455 C459 Y460 Y461	P274-L457 HydrophobicContact CB-CG 4.32Å; P274-L457 HydrophobicContact CG-CG 4.38Å; I278-L457 HydrophobicContact CB-CD2 4.43Å; I278-L457 HydrophobicContact CD1-CD2 4.35Å; I278-L457 HydrophobicContact CG1-CD2 4.18Å; T282-L457 WeakPolarHBondContact OG1-CD2 3.47Å; L293-L457 HydrophobicContact CD1-CD2 4Å; Q453-L457 WeakPolarHBondContact O-CD1 3.5Å; Q453-L457 PolarHBondContact O-N 3.47Å; Q453-L457 VanDerWaalsContact O-N 3.15Å; P454-L457 WeakPolarHBondContact O-CB 3.19Å; P454-L457 PolarHBondContact O-N 3.06Å; H455-L457 VanDerWaalsContact C-N 3.32Å; L457-C459 PolarHBondContact O-N 3.2Å; L457-Y460 PolarHBondContact O-N 3.23Å; L457-Y461 VanDerWaalsContact O-CD2 3.31Å; L457-Y461 WeakPolarHBondContact O-CD2 3.29Å; L457-Y461 PolarHBondContact O-N 3.16Å
458	Y	98.4	Very high	98	Very high	2 Å²	2	17.9 Å²	17.9	1%	0.008	8%	0.084	C	C	.	.	H	α-helix	trans	-58.8	-45	174.3	-79.4	-85.1	0	0	0	112.7	L45 P46 I221 S224 L225 K228 T282 L283 P454 H455 R456 Y460 Y461 Y462	L45-Y458 HydrophobicContact CD2-CD2 3.77Å; L45-Y458 HydrophobicContact CD2-CE2 3.87Å; P46-Y458 VanDerWaalsContact CD-OH 3.32Å; P46-Y458 WeakPolarHBondContact CD-OH 3.47Å; P46-Y458 HydrophobicContact CG-CE2 4.49Å; P46-Y458 VanDerWaalsContact CG-OH 3.25Å; P46-Y458 WeakPolarHBondContact CG-OH 3.3Å; I221-Y458 HydrophobicContact CD1-CD1 4.15Å; I221-Y458 HydrophobicContact CD1-CE1 3.7Å; S224-Y458 WeakPolarHBondContact OG-CE1 3.4Å; S224-Y458 PolarHBondContact OG-OH 2.77Å; L225-Y458 HydrophobicContact CD2-CD1 3.74Å; L225-Y458 HydrophobicContact CG-CD1 4.14Å; K228-Y458 HydrophobicContact CD-CD1 4.35Å; K228-Y458 HydrophobicContact CD-CE1 3.99Å; T282-Y458 HydrophobicContact CG2-CE2 4.07Å; L283-Y458 WeakPolarHBondContact CD2-OH 3.45Å; P454-Y458 VanDerWaalsContact O-CD2 3.29Å; P454-Y458 WeakPolarHBondContact O-CD2 3.36Å; P454-Y458 PolarHBondContact O-N 3.1Å; H455-Y458 PolarHBondContact O-N 3Å; R456-Y458 VanDerWaalsContact C-N 3.33Å; R456-Y458 PolarHBondContact O-N 2.78Å; Y458-Y460 VanDerWaalsContact C-N 3.33Å; Y458-Y460 PolarHBondContact O-N 2.82Å; Y458-Y461 PolarHBondContact O-N 3.22Å; Y458-Y462 WeakPolarHBondContact O-CB 3.42Å; Y458-Y462 PolarHBondContact O-N 3.13Å
459	C	98.4	Very high	98	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-57.5	-45.6	175.6	-66.4	0	0	0	0	111.9	C156 H455 R456 L457 Y462 Q463	C156-C459 WeakPolarHBondContact CA-SG 3.49Å; C156-C459 HydrophobicContact CB-CB 3.59Å; C156-C459 WeakPolarHBondContact CB-SG 3.36Å; C156-C459 WeakPolarHBondContact SG-CB 3.39Å; C156-C459 CovalentContact SG-SG 2.03Å; C156-C459 PolarHBondContact SG-SG 2.59Å; H455-C459 PolarHBondContact O-N 2.83Å; H455-C459 PolarHBondContact O-SG 3.07Å; R456-C459 WeakPolarHBondContact O-CB 3.48Å; R456-C459 PolarHBondContact O-N 2.82Å; L457-C459 PolarHBondContact O-N 3.2Å; C459-Y462 PolarHBondContact O-N 3.2Å; C459-Q463 WeakPolarHBondContact O-CB 3.4Å; C459-Q463 VanDerWaalsContact O-CG 3.3Å; C459-Q463 WeakPolarHBondContact O-CG 3.27Å; C459-Q463 PolarHBondContact O-N 2.88Å
460	Y	98.8	Very high	98	Very high	6 Å²	6	23.8 Å²	23.8	2%	0.024	12%	0.115	C	C	.	.	H	α-helix	trans	-62.9	-47.3	-180	-170.6	-77.2	0	0	0	111.4	E160 Q162 I163 V272 L273 P274 H402 R456 L457 Y458 Y462 Q463 V464	E160-Y460 HydrophobicContact CG-CD2 4.31Å; Q162-Y460 HydrophobicContact CB-CE2 4.37Å; Q162-Y460 VanDerWaalsContact CG-OH 3.29Å; Q162-Y460 WeakPolarHBondContact CG-OH 3.21Å; I163-Y460 HydrophobicContact CD1-CD1 4.39Å; I163-Y460 HydrophobicContact CD1-CD2 4Å; I163-Y460 HydrophobicContact CD1-CE1 4.32Å; I163-Y460 HydrophobicContact CD1-CE2 3.93Å; I163-Y460 HydrophobicContact CD1-CG 4.23Å; I163-Y460 HydrophobicContact CG1-CD2 4.2Å; I163-Y460 HydrophobicContact CG1-CE1 4.14Å; I163-Y460 HydrophobicContact CG1-CE2 3.6Å; V272-Y460 VanDerWaalsContact O-CE1 3.27Å; V272-Y460 WeakPolarHBondContact O-CE1 3.45Å; V272-Y460 PolarHBondContact O-OH 3.42Å; V272-Y460 VanDerWaalsContact O-OH 3.08Å; L273-Y460 HydrophobicContact CD2-CE1 4.47Å; P274-Y460 HydrophobicContact CG-CD1 3.93Å; P274-Y460 HydrophobicContact CG-CG 4.47Å; H402-Y460 HydrophobicContact CB-CE1 3.92Å; H402-Y460 HydrophobicContact CB-CE2 4.15Å; R456-Y460 WeakPolarHBondContact O-CB 3.44Å; R456-Y460 PolarHBondContact O-N 2.89Å; L457-Y460 PolarHBondContact O-N 3.23Å; Y458-Y460 VanDerWaalsContact C-N 3.33Å; Y458-Y460 PolarHBondContact O-N 2.82Å; Y460-Y462 PolarHBondContact O-N 3.44Å; Y460-Q463 PolarHBondContact O-N 2.71Å; Y460-V464 HydrophobicContact CD1-CG2 3.97Å; Y460-V464 HydrophobicContact CE1-CG2 3.57Å; Y460-V464 WeakPolarHBondContact O-CG2 3.19Å; Y460-V464 PolarHBondContact O-N 3.36Å
461	Y	98.8	Very high	98.1	Very high	4 Å²	4	23.9 Å²	23.9	2%	0.016	11%	0.11	C	C	.	.	H	α-helix	trans	-56	-51.9	174.6	-91.5	-85.4	0	0	0	111.5	I221 L225 L273 P274 T279 L457 Y458 Q463 V464 L465	I221-Y461 HydrophobicContact CB-CE1 4.41Å; I221-Y461 HydrophobicContact CD1-CD2 4.44Å; I221-Y461 HydrophobicContact CD1-CE2 4.48Å; I221-Y461 HydrophobicContact CG1-CD1 4.03Å; I221-Y461 HydrophobicContact CG1-CD2 3.94Å; I221-Y461 HydrophobicContact CG1-CE1 3.91Å; I221-Y461 HydrophobicContact CG1-CE2 3.85Å; I221-Y461 HydrophobicContact CG1-CG 4.06Å; I221-Y461 HydrophobicContact CG2-CD1 4.28Å; I221-Y461 HydrophobicContact CG2-CE1 3.63Å; L225-Y461 HydrophobicContact CD1-CD1 4.5Å; L225-Y461 HydrophobicContact CD1-CG 4.39Å; L273-Y461 HydrophobicContact CB-CE1 4.28Å; L273-Y461 HydrophobicContact CD1-CD1 3.98Å; L273-Y461 HydrophobicContact CD1-CE1 3.63Å; L273-Y461 HydrophobicContact CD2-CD1 3.72Å; L273-Y461 HydrophobicContact CD2-CE1 3.96Å; L273-Y461 HydrophobicContact CD2-CG 4.26Å; L273-Y461 HydrophobicContact CG-CD1 4.41Å; L273-Y461 HydrophobicContact CG-CE1 4.19Å; P274-Y461 HydrophobicContact CB-CD2 4.46Å; P274-Y461 HydrophobicContact CB-CE2 3.68Å; P274-Y461 HydrophobicContact CG-CD2 3.83Å; P274-Y461 HydrophobicContact CG-CE2 3.52Å; P274-Y461 PolarHBondContact O-OH 2.8Å; P274-Y461 VanDerWaalsContact O-OH 3.08Å; T279-Y461 HydrophobicContact CG2-CE2 4.19Å; T279-Y461 WeakPolarHBondContact CG2-OH 3.36Å; T279-Y461 PolarHBondContact OG1-OH 3.04Å; L457-Y461 VanDerWaalsContact O-CD2 3.31Å; L457-Y461 WeakPolarHBondContact O-CD2 3.29Å; L457-Y461 PolarHBondContact O-N 3.16Å; Y458-Y461 PolarHBondContact O-N 3.22Å; Y461-Q463 VanDerWaalsContact C-N 3.31Å; Y461-Q463 PolarHBondContact O-N 3.03Å; Y461-V464 PolarHBondContact O-N 2.83Å; Y461-L465 WeakPolarHBondContact O-CG 3.36Å; Y461-L465 PolarHBondContact O-N 2.82Å
462	Y	98.6	Very high	98.1	Very high	8 Å²	8	24.2 Å²	24.2	3%	0.031	11%	0.11	C	C	.	.	H	α-helix	trans	-57.8	-44.4	179.8	175.3	-90	0	0	0	111.5	P147 W150 Q151 V229 L231 Y458 C459 Y460 V464 L465 Q466	P147-Y462 HydrophobicContact CB-CE1 4.49Å; P147-Y462 HydrophobicContact CB-CE2 3.98Å; P147-Y462 WeakPolarHBondContact CB-OH 3.42Å; P147-Y462 HydrophobicContact CG-CE2 4.49Å; W150-Y462 HydrophobicContact CE3-CG 4.41Å; W150-Y462 HydrophobicContact CH2-CG 4.45Å; W150-Y462 HydrophobicContact CZ3-CD1 4.2Å; W150-Y462 HydrophobicContact CZ3-CD2 4.22Å; W150-Y462 AromaticContact CZ3-CG 3.73Å; W150-Y462 HydrophobicContact CZ3-CG 3.73Å; Q151-Y462 VanDerWaalsContact CD-CE1 3.47Å; Q151-Y462 HydrophobicContact CG-CD1 4.04Å; Q151-Y462 HydrophobicContact CG-CE1 4.05Å; V229-Y462 HydrophobicContact CG1-CD2 3.94Å; V229-Y462 HydrophobicContact CG1-CE2 4.45Å; V229-Y462 HydrophobicContact CG2-CD2 4.16Å; V229-Y462 HydrophobicContact CG2-CE2 3.94Å; L231-Y462 HydrophobicContact CD2-CD2 3.81Å; L231-Y462 HydrophobicContact CD2-CE2 4.24Å; Y458-Y462 WeakPolarHBondContact O-CB 3.42Å; Y458-Y462 PolarHBondContact O-N 3.13Å; C459-Y462 PolarHBondContact O-N 3.2Å; Y460-Y462 PolarHBondContact O-N 3.44Å; Y462-V464 PolarHBondContact O-N 2.86Å; Y462-L465 PolarHBondContact O-N 3.31Å; Y462-Q466 HydrophobicContact CE1-CB 4.09Å; Y462-Q466 HydrophobicContact CE1-CG 4.47Å; Y462-Q466 VanDerWaalsContact O-CB 3.32Å; Y462-Q466 WeakPolarHBondContact O-CB 3.43Å; Y462-Q466 PolarHBondContact O-N 2.87Å; Y462-Q466 PolarHBondContact OH-NE2 2.87Å
463	Q	98.6	Very high	97.9	Very high	22 Å²	22	27.6 Å²	27.6	10%	0.103	13%	0.134	C	C	.	.	H	α-helix	trans	-68.1	-33.9	-179.6	-74.8	-179.9	-21.6	0	0	113.4	P157 I163 C459 Y460 Y461 K467	P157-Q463 PolarHBondContact O-NE2 2.76Å; I163-Q463 HydrophobicContact CD1-CB 3.6Å; C459-Q463 WeakPolarHBondContact O-CB 3.4Å; C459-Q463 VanDerWaalsContact O-CG 3.3Å; C459-Q463 WeakPolarHBondContact O-CG 3.27Å; C459-Q463 PolarHBondContact O-N 2.88Å; Y460-Q463 PolarHBondContact O-N 2.71Å; Y461-Q463 VanDerWaalsContact C-N 3.31Å; Y461-Q463 PolarHBondContact O-N 3.03Å; Q463-K467 VanDerWaalsContact O-CB 3.23Å; Q463-K467 WeakPolarHBondContact O-CB 3.44Å; Q463-K467 PolarHBondContact O-N 2.88Å
464	V	98.8	Very high	97.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-63.3	-48.9	171	168.7	0	0	0	0	110.3	I163 F167 I260 V271 L273 Y460 Y461 Y462 K467 Y468	I163-V464 HydrophobicContact CD1-CG2 3.64Å; I163-V464 HydrophobicContact CG1-CG2 3.73Å; I163-V464 HydrophobicContact CG2-CG2 4.4Å; F167-V464 HydrophobicContact CE2-CG1 4.27Å; F167-V464 HydrophobicContact CZ-CG1 4.38Å; I260-V464 HydrophobicContact CD1-CG1 4.28Å; V271-V464 HydrophobicContact CG1-CG1 3.71Å; L273-V464 HydrophobicContact CD2-CB 3.83Å; L273-V464 HydrophobicContact CD2-CG1 3.82Å; L273-V464 HydrophobicContact CD2-CG2 3.91Å; L273-V464 HydrophobicContact CG-CG1 4.48Å; Y460-V464 HydrophobicContact CD1-CG2 3.97Å; Y460-V464 HydrophobicContact CE1-CG2 3.57Å; Y460-V464 WeakPolarHBondContact O-CG2 3.19Å; Y460-V464 PolarHBondContact O-N 3.36Å; Y461-V464 PolarHBondContact O-N 2.83Å; Y462-V464 PolarHBondContact O-N 2.86Å; V464-K467 PolarHBondContact O-N 2.83Å; V464-Y468 WeakPolarHBondContact O-CB 3.14Å; V464-Y468 PolarHBondContact O-N 3.01Å
465	L	98.8	Very high	97.5	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.01	18%	0.176	C	C	.	.	H	α-helix	trans	-63.8	-43.4	-180	-61.2	175.3	0	0	0	111.6	L222 L225 L231 L234 F236 Y461 Y462 K467 Y468 A469	L222-L465 HydrophobicContact CD2-CD1 3.87Å; L222-L465 HydrophobicContact CD2-CD2 4.46Å; L225-L465 HydrophobicContact CD1-CD1 4.17Å; L231-L465 HydrophobicContact CD1-CD1 4.08Å; L231-L465 HydrophobicContact CD2-CD1 4.16Å; L234-L465 HydrophobicContact CD1-CB 4.14Å; L234-L465 HydrophobicContact CD1-CD2 3.91Å; F236-L465 HydrophobicContact CE1-CD2 4.22Å; F236-L465 HydrophobicContact CE2-CD2 4.34Å; F236-L465 HydrophobicContact CZ-CD2 3.98Å; Y461-L465 WeakPolarHBondContact O-CG 3.36Å; Y461-L465 PolarHBondContact O-N 2.82Å; Y462-L465 PolarHBondContact O-N 3.31Å; L465-K467 PolarHBondContact O-N 3.38Å; L465-Y468 WeakPolarHBondContact O-CB 3.47Å; L465-Y468 PolarHBondContact O-N 2.86Å; L465-A469 WeakPolarHBondContact O-CB 3.12Å; L465-A469 PolarHBondContact O-N 2.54Å
466	Q	98.3	Very high	97.5	Very high	56 Å²	56	36.1 Å²	36.1	26%	0.262	18%	0.178	S	C	.	.	H	α-helix	trans	-58	-48.9	173.5	-178.8	179.3	52.4	0	0	111.1	Y462 Y468 A469 E470	Y462-Q466 HydrophobicContact CE1-CB 4.09Å; Y462-Q466 HydrophobicContact CE1-CG 4.47Å; Y462-Q466 VanDerWaalsContact O-CB 3.32Å; Y462-Q466 WeakPolarHBondContact O-CB 3.43Å; Y462-Q466 PolarHBondContact O-N 2.87Å; Y462-Q466 PolarHBondContact OH-NE2 2.87Å; Q466-Y468 VanDerWaalsContact C-N 3.27Å; Q466-Y468 PolarHBondContact O-N 3.1Å; Q466-A469 PolarHBondContact O-N 2.87Å; Q466-E470 WeakPolarHBondContact O-CG 3.29Å; Q466-E470 PolarHBondContact O-N 3.04Å
467	K	98.3	Very high	97.5	Very high	62 Å²	62	39.1 Å²	39.1	27%	0.27	19%	0.193	S	C	.	.	H	α-helix	trans	-66.5	-33.2	-179	-162.3	54.7	165.2	-176.5	0	112.4	I163 F167 Q463 V464 L465 E470 R471	I163-K467 HydrophobicContact CG2-CB 4.19Å; I163-K467 HydrophobicContact CG2-CG 4.31Å; F167-K467 HydrophobicContact CB-CG 4.16Å; F167-K467 HydrophobicContact CD1-CG 4.12Å; F167-K467 HydrophobicContact CD2-CB 3.96Å; F167-K467 HydrophobicContact CD2-CG 3.61Å; F167-K467 HydrophobicContact CE1-CB 4.5Å; F167-K467 HydrophobicContact CE1-CG 4.43Å; F167-K467 HydrophobicContact CE2-CB 3.77Å; F167-K467 HydrophobicContact CE2-CG 3.95Å; F167-K467 HydrophobicContact CG-CB 4.4Å; F167-K467 HydrophobicContact CG-CG 3.69Å; F167-K467 HydrophobicContact CZ-CB 4.05Å; F167-K467 HydrophobicContact CZ-CG 4.34Å; Q463-K467 VanDerWaalsContact O-CB 3.23Å; Q463-K467 WeakPolarHBondContact O-CB 3.44Å; Q463-K467 PolarHBondContact O-N 2.88Å; V464-K467 PolarHBondContact O-N 2.83Å; L465-K467 PolarHBondContact O-N 3.38Å; K467-E470 VanDerWaalsContact CD-OE2 3.23Å; K467-E470 WeakPolarHBondContact CD-OE2 3.32Å; K467-E470 IonicContact NZ-OE2 3.68Å; K467-E470 PolarHBondContact NZ-OE2 3.16Å; K467-R471 WeakPolarHBondContact O-CG 3.33Å; K467-R471 PolarHBondContact O-N 3.39Å
468	Y	98.5	Very high	97.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-64.7	-51.6	174.1	-153.2	-73.4	0	0	0	110.8	F167 I173 M178 L234 E235 F236 P258 I260 V464 L465 Q466 E470 R471 Q472	F167-Y468 AromaticContact CE1-CD2 3.83Å; F167-Y468 HydrophobicContact CE1-CD2 3.83Å; F167-Y468 HydrophobicContact CE1-CG 4.18Å; F167-Y468 AromaticContact CZ-CD2 3.8Å; F167-Y468 HydrophobicContact CZ-CD2 3.8Å; F167-Y468 HydrophobicContact CZ-CG 4.24Å; I173-Y468 HydrophobicContact CD1-CD1 3.69Å; I173-Y468 HydrophobicContact CD1-CD2 4.15Å; I173-Y468 HydrophobicContact CD1-CE1 3.67Å; I173-Y468 HydrophobicContact CD1-CE2 4.14Å; I173-Y468 HydrophobicContact CD1-CG 3.94Å; I173-Y468 HydrophobicContact CG2-CE1 4.11Å; M178-Y468 WeakPolarHBondContact CE-OH 3.35Å; M178-Y468 PolarHBondContact SD-OH 3.39Å; M178-Y468 VanDerWaalsContact SD-OH 3.37Å; L234-Y468 HydrophobicContact CD1-CD1 4.27Å; L234-Y468 HydrophobicContact CD1-CG 4.35Å; E235-Y468 WeakPolarHBondContact O-CE1 3.37Å; F236-Y468 HydrophobicContact CB-CD1 4.11Å; F236-Y468 HydrophobicContact CB-CE1 3.6Å; F236-Y468 HydrophobicContact CB-CE2 4.08Å; P258-Y468 HydrophobicContact CB-CE2 3.85Å; P258-Y468 HydrophobicContact CG-CE2 4.09Å; P258-Y468 WeakPolarHBondContact CG-OH 3.11Å; P258-Y468 PolarHBondContact O-OH 3.19Å; I260-Y468 HydrophobicContact CD1-CD2 4.33Å; I260-Y468 HydrophobicContact CD1-CE2 4.45Å; I260-Y468 HydrophobicContact CG1-CD2 4.48Å; I260-Y468 HydrophobicContact CG1-CE2 4.25Å; V464-Y468 WeakPolarHBondContact O-CB 3.14Å; V464-Y468 PolarHBondContact O-N 3.01Å; L465-Y468 WeakPolarHBondContact O-CB 3.47Å; L465-Y468 PolarHBondContact O-N 2.86Å; Q466-Y468 VanDerWaalsContact C-N 3.27Å; Q466-Y468 PolarHBondContact O-N 3.1Å; Y468-E470 PolarHBondContact O-N 3.4Å; Y468-R471 PolarHBondContact O-N 3.05Å; Y468-Q472 HydrophobicContact CD1-CG 4.35Å; Y468-Q472 WeakPolarHBondContact O-CG 3.28Å; Y468-Q472 PolarHBondContact O-N 3Å
469	A	98.4	Very high	97.5	Very high	20 Å²	20	44 Å²	44	17%	0.165	22%	0.218	C	C	.	.	H	α-helix	trans	-56.3	-47.2	179	0	0	0	0	0	112.1	P232 L234 L465 Q466 R471 Q472	P232-A469 HydrophobicContact CB-CB 3.79Å; P232-A469 HydrophobicContact CG-CB 3.8Å; L234-A469 HydrophobicContact CB-CB 3.98Å; L465-A469 WeakPolarHBondContact O-CB 3.12Å; L465-A469 PolarHBondContact O-N 2.54Å; Q466-A469 PolarHBondContact O-N 2.87Å; A469-R471 PolarHBondContact O-N 3.35Å; A469-R471 VanDerWaalsContact O-N 3.08Å; A469-Q472 PolarHBondContact O-N 2.96Å; A469-Q472 VanDerWaalsContact O-N 3.15Å
470	E	97.8	Very high	97.3	Very high	112 Å²	112	51 Å²	51	52%	0.523	26%	0.256	S	S	.	.	H	α-helix	trans	-55.8	-26.3	176.9	-77.1	174.3	-168.1	0	0	113.9	Q466 K467 Y468	Q466-E470 WeakPolarHBondContact O-CG 3.29Å; Q466-E470 PolarHBondContact O-N 3.04Å; K467-E470 VanDerWaalsContact CD-OE2 3.23Å; K467-E470 WeakPolarHBondContact CD-OE2 3.32Å; K467-E470 IonicContact NZ-OE2 3.68Å; K467-E470 PolarHBondContact NZ-OE2 3.16Å; Y468-E470 PolarHBondContact O-N 3.4Å
471	R	97.8	Very high	97.2	Very high	78 Å²	78	53.3 Å²	53.3	29%	0.294	28%	0.281	S	S	.	.	H	α-helix	trans	-96	-10.3	-174.6	-63.4	-72.5	-171	176.7	2.3	112.8	F167 P171 S172 I173 K467 Y468 A469 S473	F167-R471 HydrophobicContact CD1-CG 4.38Å; P171-R471 VanDerWaalsContact O-CD 3.23Å; P171-R471 WeakPolarHBondContact O-CD 3.41Å; P171-R471 PolarHBondContact O-NH1 3.37Å; S172-R471 CarbonylContact C-O 3.57Å; S172-R471 WeakPolarHBondContact CA-O 3.34Å; I173-R471 HydrophobicContact CD1-CB 3.73Å; I173-R471 HydrophobicContact CG1-CB 3.73Å; I173-R471 PolarHBondContact N-O 3.17Å; K467-R471 WeakPolarHBondContact O-CG 3.33Å; K467-R471 PolarHBondContact O-N 3.39Å; Y468-R471 PolarHBondContact O-N 3.05Å; A469-R471 PolarHBondContact O-N 3.35Å; A469-R471 VanDerWaalsContact O-N 3.08Å; R471-S473 PolarHBondContact O-N 2.95Å
472	Q	97.6	Very high	97.1	Very high	28 Å²	28	54.3 Å²	54.3	13%	0.131	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-68.4	129.8	179.2	-58.3	-177.9	145.1	0	0	111.2	L175 E235 Y468 A469	L175-Q472 HydrophobicContact CD2-CG 4.21Å; E235-Q472 PolarHBondContact O-OE1 2.92Å; Y468-Q472 HydrophobicContact CD1-CG 4.35Å; Y468-Q472 WeakPolarHBondContact O-CG 3.28Å; Y468-Q472 PolarHBondContact O-N 3Å; A469-Q472 PolarHBondContact O-N 2.96Å; A469-Q472 VanDerWaalsContact O-N 3.15Å
473	S	94.6	Very high	97.1	Very high	73 Å²	73	58.8 Å²	58.8	51%	0.51	31%	0.308	S	S	.	.	S	Bend	trans	-85.9	-15.2	177.8	52.5	0	0	0	0	113.6	I173 R471	I173-S473 PolarHBondContact O-N 3.3Å; I173-S473 PolarHBondContact O-OG 3.39Å; R471-S473 PolarHBondContact O-N 2.95Å
474	S	91.9	Very high	97.1	Very high	47 Å²	47	62 Å²	62	33%	0.329	33%	0.325	S	S	.	.	S	Bend	trans	-128.7	154.8	-178.6	53.2	0	0	0	0	110.1	L175	L175-S474 VanDerWaalsContact CB-OG 3.31Å; L175-S474 WeakPolarHBondContact CB-OG 3.47Å; L175-S474 WeakPolarHBondContact CD1-O 3.18Å; L175-S474 WeakPolarHBondContact CD1-OG 3.27Å; L175-S474 WeakPolarHBondContact CG-OG 3.49Å
475	K	93.8	Very high	97.1	Very high	174 Å²	174	62.5 Å²	62.5	76%	0.757	33%	0.328	S	S	*	.			trans	-67.6	136.7	176.9	-66.8	-171.7	176.5	-170.7	0	110.4
476	P	96.9	Very high	96.9	Very high	17 Å²	17	66.4 Å²	66.4	11%	0.11	35%	0.353	C	S	.	.			trans	-68.7	146.7	171.5	31.6	-35.4	0	0	0	109.8	L175 T197 D233 E235	L175-P476 HydrophobicContact CD1-CB 4.46Å; T197-P476 HydrophobicContact CG2-CB 4.4Å; D233-P476 HydrophobicContact CB-CG 3.66Å; E235-P476 HydrophobicContact CB-CB 3.78Å
477	E	97.3	Very high	96.8	Very high	105 Å²	105	65.5 Å²	65.5	49%	0.491	35%	0.349	S	S	.	.			trans	-143.1	147.4	179.6	-63.1	172.5	168	0	0	109.6	T197 R479	T197-E477 PolarHBondContact OG1-O 2.7Å; E477-R479 PolarHBondContact O-N 2.9Å; E477-R479 IonicContact OE2-CZ 2.86Å; E477-R479 IonicContact OE2-NH1 3.98Å; E477-R479 PolarHBondContact OE2-NH1 2.78Å; E477-R479 IonicContact OE2-NH2 3.25Å
478	V	98.1	Very high	96.2	Very high	63 Å²	63	65 Å²	65	38%	0.382	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-67.5	117.5	171.2	-176.5	0	0	0	0	108.3	T197 L199 Y204 M482	T197-V478 HydrophobicContact CG2-CG2 4.49Å; L199-V478 HydrophobicContact CD2-CG2 4.01Å; Y204-V478 HydrophobicContact CD1-CG1 3.85Å; Y204-V478 HydrophobicContact CD1-CG2 4.09Å; Y204-V478 HydrophobicContact CD2-CG2 3.56Å; Y204-V478 HydrophobicContact CE1-CG1 4.4Å; Y204-V478 HydrophobicContact CE1-CG2 4.21Å; Y204-V478 HydrophobicContact CE2-CG2 3.7Å; Y204-V478 HydrophobicContact CG-CG1 3.97Å; Y204-V478 HydrophobicContact CG-CG2 3.76Å; V478-M482 HydrophobicContact CG1-CB 4.03Å; V478-M482 HydrophobicContact CG1-SD 4.33Å
479	R	97	Very high	95.3	Very high	46 Å²	46	73.8 Å²	73.8	17%	0.174	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-89.1	159.9	-175.3	-55.1	-56.9	-174.8	-172	-13.1	112.2	L179 E235 E477 G481 M482	L179-R479 HydrophobicContact CD2-CG 4.04Å; E235-R479 WeakPolarHBondContact OE1-CG 3.22Å; E235-R479 IonicContact OE1-CZ 3.74Å; E235-R479 IonicContact OE1-NE 2.72Å; E235-R479 PolarHBondContact OE1-NE 2.83Å; E235-R479 IonicContact OE1-NH2 3.62Å; E235-R479 IonicContact OE2-CZ 2.72Å; E235-R479 IonicContact OE2-NE 3.95Å; E235-R479 PolarHBondContact OE2-NE 2.74Å; E235-R479 IonicContact OE2-NH2 3.73Å; E235-R479 PolarHBondContact OE2-NH2 3.15Å; E477-R479 PolarHBondContact O-N 2.9Å; E477-R479 IonicContact OE2-CZ 2.86Å; E477-R479 IonicContact OE2-NH1 3.98Å; E477-R479 PolarHBondContact OE2-NH1 2.78Å; E477-R479 IonicContact OE2-NH2 3.25Å; R479-G481 PolarHBondContact O-N 2.98Å; R479-M482 HydrophobicContact CB-CE 3.98Å; R479-M482 HydrophobicContact CB-CG 4.23Å; R479-M482 HydrophobicContact CB-SD 4.02Å; R479-M482 HydrophobicContact CG-CE 3.96Å; R479-M482 HydrophobicContact CG-SD 4.34Å; R479-M482 PolarHBondContact N-SD 3.33Å; R479-M482 VanDerWaalsContact O-CB 3.31Å; R479-M482 WeakPolarHBondContact O-CB 3.5Å; R479-M482 WeakPolarHBondContact O-CG 3.42Å; R479-M482 PolarHBondContact O-N 2.87Å; R479-M482 VanDerWaalsContact O-N 3.08Å
480	D	95.4	Very high	94.4	Very high	149 Å²	149	76.9 Å²	76.9	80%	0.797	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	136.4	173.9	-176.2	36.4	0	0	0	112	R206 M482	R206-D480 PolarHBondContact NH1-O 3.39Å; D480-M482 VanDerWaalsContact C-N 3.3Å; D480-M482 PolarHBondContact O-N 3.33Å
481	G	95.5	Very high	93.3	Very high	53 Å²	53	78.4 Å²	78.4	55%	0.546	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.7	10.6	-175.2	0	0	0	0	0	115.5	R206 R479	R206-G481 WeakPolarHBondContact CG-O 3.07Å; R479-G481 PolarHBondContact O-N 2.98Å
482	M	98.3	Very high	92.2	Very high	26 Å²	26	77.8 Å²	77.8	13%	0.128	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-81.5	137.7	169	-71	-174.5	167.8	0	0	112.1	H195 T197 R205 R206 V478 R479 D480	H195-M482 HydrophobicContact CB-CE 4.27Å; H195-M482 WeakPolarHBondContact CE1-CE 3.07Å; H195-M482 WeakPolarHBondContact ND1-CE 3.23Å; T197-M482 VanDerWaalsContact OG1-CE 3.25Å; T197-M482 WeakPolarHBondContact OG1-CE 3.2Å; T197-M482 PolarHBondContact OG1-SD 2.98Å; T197-M482 VanDerWaalsContact OG1-SD 3.37Å; R205-M482 CarbonylContact O-C 3.52Å; R205-M482 WeakPolarHBondContact O-CA 3.4Å; R206-M482 HydrophobicContact CB-CG 3.9Å; V478-M482 HydrophobicContact CG1-CB 4.03Å; V478-M482 HydrophobicContact CG1-SD 4.33Å; R479-M482 HydrophobicContact CB-CE 3.98Å; R479-M482 HydrophobicContact CB-CG 4.23Å; R479-M482 HydrophobicContact CB-SD 4.02Å; R479-M482 HydrophobicContact CG-CE 3.96Å; R479-M482 HydrophobicContact CG-SD 4.34Å; R479-M482 PolarHBondContact N-SD 3.33Å; R479-M482 VanDerWaalsContact O-CB 3.31Å; R479-M482 WeakPolarHBondContact O-CB 3.5Å; R479-M482 WeakPolarHBondContact O-CG 3.42Å; R479-M482 PolarHBondContact O-N 2.87Å; R479-M482 VanDerWaalsContact O-N 3.08Å; D480-M482 VanDerWaalsContact C-N 3.3Å; D480-M482 PolarHBondContact O-N 3.33Å
483	E	98.1	Very high	91.3	Very high	102 Å²	102	77.5 Å²	77.5	48%	0.477	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	148.5	170.5	63.4	177.8	-165.9	0	0	110.8	Y204 R205	Y204-E483 CarbonylContact C-O 3.34Å; Y204-E483 WeakPolarHBondContact CA-O 3.42Å; R205-E483 HydrophobicContact CG-CG 3.94Å; R205-E483 IonicContact CZ-OE1 3.61Å; R205-E483 VanDerWaalsContact CZ-OE1 3.23Å; R205-E483 PolarHBondContact N-O 3.01Å; R205-E483 IonicContact NE-OE1 3.98Å; R205-E483 PolarHBondContact NE-OE1 3.18Å; R205-E483 IonicContact NH2-OE1 2.73Å; R205-E483 PolarHBondContact NH2-OE1 3.02Å; R205-E483 PolarHBondContact O-N 3.33Å
484	L	98.4	Very high	90.9	Very high	88 Å²	88	79.6 Å²	79.6	46%	0.461	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	136.4	167.3	178.5	70.5	0	0	0	109.2	H202 Y204 P486	H202-L484 HydrophobicContact CB-CD1 4.27Å; Y204-L484 HydrophobicContact CD1-CB 4.28Å; Y204-L484 HydrophobicContact CD1-CD1 4.24Å; Y204-L484 HydrophobicContact CE1-CB 4.2Å; Y204-L484 HydrophobicContact CE1-CD1 3.81Å; L484-P486 VanDerWaalsContact O-CD 3.32Å; L484-P486 WeakPolarHBondContact O-CD 3.21Å
485	V	98.1	Very high	90.8	Very high	12 Å²	12	79.2 Å²	79.2	7%	0.073	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	102	168.1	-172.1	0	0	0	0	107.6	I203 R205 D219 L223	I203-V485 HydrophobicContact CB-CB 4.14Å; I203-V485 HydrophobicContact CB-CG2 4.49Å; I203-V485 HydrophobicContact CG2-CB 3.96Å; I203-V485 HydrophobicContact CG2-CG2 3.82Å; I203-V485 PolarHBondContact O-N 3.43Å; R205-V485 HydrophobicContact CB-CG2 4.2Å; R205-V485 VanDerWaalsContact CD-CG2 3.49Å; R205-V485 HydrophobicContact CG-CG2 3.59Å; D219-V485 HydrophobicContact CB-CG1 4.15Å; L223-V485 HydrophobicContact CD1-CG1 3.92Å; L223-V485 HydrophobicContact CD2-CG1 4.13Å; L223-V485 HydrophobicContact CG-CG1 4.13Å
486	P	96.1	Very high	90.6	Very high	83 Å²	83	77.4 Å²	77.4	54%	0.539	42%	0.422	S	S	.	.	P	Polyproline II helix	trans	-75.4	150	-173.3	31.1	-35.6	0	0	0	111.9	L484	L484-P486 VanDerWaalsContact O-CD 3.32Å; L484-P486 WeakPolarHBondContact O-CD 3.21Å
487	Q	94.3	Very high	90.4	Very high	37 Å²	37	79.6 Å²	79.6	17%	0.173	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-64.8	150.9	162.9	-68	-69.2	-7.3	0	0	109.8	L223 T226 E489	L223-Q487 HydrophobicContact CD2-CG 4.31Å; L223-Q487 PolarHBondContact O-NE2 2.83Å; L223-Q487 VanDerWaalsContact O-NE2 3.16Å; T226-Q487 PolarHBondContact OG1-NE2 3.01Å; Q487-E489 PolarHBondContact O-N 3Å
488	P	86.6	Confident	90	Very high	52 Å²	52	79.3 Å²	79.3	34%	0.338	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-60.2	127.6	170.8	-20.4	32.4	0	0	0	110.8	A493	P488-A493 WeakPolarHBondContact O-CB 3.33Å
489	E	79.8	Confident	89.4	Confident	185 Å²	185	78.2 Å²	78.2	86%	0.864	42%	0.424	S	S	*	.			trans	-101.6	8.2	179.3	-62	-175.1	171.3	0	0	113.1	Q487	Q487-E489 PolarHBondContact O-N 3Å
490	D	79.5	Confident	88.3	Confident	85 Å²	85	85.4 Å²	85.4	46%	0.455	46%	0.456	S	S	.	.	S	Bend	trans	-72.8	170.9	-179.2	71.3	25.4	0	0	0	112.2	T492 A493	D490-T492 PolarHBondContact O-N 3.08Å; D490-T492 WeakPolarHBondContact OD1-CA 3.47Å; D490-T492 WeakPolarHBondContact OD1-CB 3.42Å; D490-T492 WeakPolarHBondContact OD1-CG2 3.45Å; D490-T492 PolarHBondContact OD1-N 2.77Å; D490-T492 PolarHBondContact OD1-OG1 3.29Å; D490-A493 PolarHBondContact O-N 3.39Å
491	N	74.6	Confident	86.6	Confident	143 Å²	143	87.7 Å²	87.7	77%	0.765	46%	0.459	S	S	*	.	G	3₁₀ helix	trans	-57.5	-14.9	-179.9	-69.9	-19.9	0	0	0	113.7	A493 I494	N491-A493 VanDerWaalsContact C-N 3.3Å; N491-I494 HydrophobicContact CB-CD1 4.17Å
492	T	74.4	Confident	84.7	Confident	66 Å²	66	87.1 Å²	87.1	41%	0.405	45%	0.446	S	S	.	.	G	3₁₀ helix	trans	-78.5	-12.4	178.4	79	0	0	0	0	113.5	H138 Y140 D490	H138-T492 PolarHBondContact NE2-O 3.17Å; Y140-T492 WeakPolarHBondContact CB-O 3.22Å; D490-T492 PolarHBondContact O-N 3.08Å; D490-T492 WeakPolarHBondContact OD1-CA 3.47Å; D490-T492 WeakPolarHBondContact OD1-CB 3.42Å; D490-T492 WeakPolarHBondContact OD1-CG2 3.45Å; D490-T492 PolarHBondContact OD1-N 2.77Å; D490-T492 PolarHBondContact OD1-OG1 3.29Å
493	A	79.4	Confident	82.3	Confident	21 Å²	21	88.5 Å²	88.5	17%	0.174	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-97.3	-5.7	178.2	0	0	0	0	0	114.2	P488 D490 N491 C495	P488-A493 WeakPolarHBondContact O-CB 3.33Å; D490-A493 PolarHBondContact O-N 3.39Å; N491-A493 VanDerWaalsContact C-N 3.3Å; A493-C495 PolarHBondContact O-N 2.93Å
494	I	84.6	Confident	79.8	Confident	118 Å²	118	93.7 Å²	93.7	61%	0.605	47%	0.473	S	S	*	.			trans	-64.3	119.7	-174	-62.1	174	0	0	0	110.8	N491	N491-I494 HydrophobicContact CB-CD1 4.17Å
495	C	90.9	Very high	76.9	Confident	39 Å²	39	98.4 Å²	98.4	26%	0.264	49%	0.493	S	S	.	.			trans	-157.7	167	168.5	71.8	0	0	0	0	111.8	C141 A493	C141-C495 WeakPolarHBondContact CA-SG 3.26Å; C141-C495 HydrophobicContact CB-CB 3.7Å; C141-C495 WeakPolarHBondContact CB-SG 3.46Å; C141-C495 WeakPolarHBondContact SG-CB 3.04Å; C141-C495 CovalentContact SG-SG 2.02Å; C141-C495 PolarHBondContact SG-SG 2.93Å; A493-C495 PolarHBondContact O-N 2.93Å
496	Q	90.1	Very high	73.9	Confident	136 Å²	136	105.3 Å²	105.3	64%	0.636	52%	0.524	S	S	*	.			trans	-104	120.9	167.1	-68	-178.2	1.4	0	0	109.5	H498	Q496-H498 PolarHBondContact O-CE1 3.15Å; Q496-H498 VanDerWaalsContact O-CE1 3.29Å; Q496-H498 PolarHBondContact O-ND1 2.9Å
497	C	91	Very high	71.1	Confident	62 Å²	62	109.3 Å²	109.3	42%	0.419	54%	0.54	S	S	.	.			trans	-80.4	121.9	175.7	-178.4	0	0	0	0	110.8	C143	C143-C497 WeakPolarHBondContact CA-SG 3.46Å; C143-C497 HydrophobicContact CB-CB 3.55Å; C143-C497 WeakPolarHBondContact CB-SG 3.35Å; C143-C497 WeakPolarHBondContact SG-CA 3.45Å; C143-C497 WeakPolarHBondContact SG-CB 3.1Å; C143-C497 CovalentContact SG-SG 2.04Å; C143-C497 PolarHBondContact SG-SG 3.03Å
498	H	89.1	Confident	69.9	Low	99 Å²	99	113 Å²	113	46%	0.458	56%	0.559	S	S	.	*			trans	-105	-0.1	177.9	-55.9	77.4	0	0	0	112.9	N111 P135 Y137 Q496	N111-H498 PolarHBondContact OD1-CE1 3.15Å; N111-H498 VanDerWaalsContact OD1-CE1 3.24Å; P135-H498 HydrophobicContact CG-CB 4.14Å; Y137-H498 WeakPolarHBondContact OH-CA 3.39Å; Y137-H498 VanDerWaalsContact OH-CB 3.3Å; Y137-H498 WeakPolarHBondContact OH-CB 3.42Å; Y137-H498 PolarHBondContact OH-N 3.31Å; Q496-H498 PolarHBondContact O-CE1 3.15Å; Q496-H498 VanDerWaalsContact O-CE1 3.29Å; Q496-H498 PolarHBondContact O-ND1 2.9Å
499	R	86.7	Confident	69	Low	41 Å²	41	116.2 Å²	116.2	16%	0.155	57%	0.57	C	S	.	*	S	Bend	trans	-73.5	139.3	173.7	-71.1	172.6	167.2	163.9	-8.8	109	A42 Y137 C143 E145 K501	A42-R499 PolarHBondContact O-NH2 3.48Å; A42-R499 VanDerWaalsContact O-NH2 3.13Å; Y137-R499 HydrophobicContact CE2-CG 4.3Å; C143-R499 VanDerWaalsContact O-CD 3.28Å; C143-R499 WeakPolarHBondContact O-CD 3.44Å; C143-R499 PolarHBondContact O-NH1 3.22Å; E145-R499 IonicContact OE2-CZ 3.74Å; E145-R499 VanDerWaalsContact OE2-CZ 3.25Å; E145-R499 IonicContact OE2-NE 3.89Å; E145-R499 IonicContact OE2-NH1 2.51Å; E145-R499 IonicContact OE2-NH2 2.8Å; E145-R499 PolarHBondContact OE2-NH2 2.95Å; R499-K501 PolarHBondContact O-N 2.88Å
500	K	72.5	Confident	68.4	Low	197 Å²	197	112.3 Å²	112.3	86%	0.857	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-65.8	129.5	174.6	-68.4	-175.4	178.4	-177.5	0	108.4
501	K	61.6	Low	67.8	Low	197 Å²	197	113.9 Å²	113.9	86%	0.857	56%	0.56	S	S	*	*	P	Polyproline II helix	trans	-64.7	129.2	164.9	-68.8	-171.7	177	-171.8	0	107.6	R499	R499-K501 PolarHBondContact O-N 2.88Å
502	P	54.5	Low	67.4	Low	41 Å²	41	112.1 Å²	112.1	27%	0.266	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-55.9	144.2	171.6	-25.4	36.9	0	0	0	110	L230	L230-P502 HydrophobicContact CD1-CB 4.47Å; L230-P502 HydrophobicContact CD1-CG 3.49Å; L230-P502 VanDerWaalsContact CD1-CG 3.49Å
503	S	47.3	Very low	66.9	Low	54 Å²	54	115.2 Å²	115.2	38%	0.378	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-67.4	142.2	173.8	76.8	0	0	0	0	108.7	E505 E506	S503-E505 PolarHBondContact O-N 3.13Å; S503-E506 PolarHBondContact O-N 3.47Å; S503-E506 VanDerWaalsContact O-N 3.16Å; S503-E506 PolarHBondContact OG-OE2 3.31Å
504	R	46.7	Very low	66	Low	211 Å²	211	121.9 Å²	121.9	80%	0.796	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	-3.6	-177.3	-136.9	179.5	-178.8	-177.7	-0.3	113.7
505	E	36.9	Very low	64.6	Low	187 Å²	187	122.2 Å²	122.2	87%	0.874	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94	-7.9	179.9	-66.2	-179.7	165.1	0	0	112.9	S503	S503-E505 PolarHBondContact O-N 3.13Å
506	E	34.8	Very low	62.4	Low	157 Å²	157	129.2 Å²	129.2	73%	0.734	61%	0.609	S	S	*	*			trans	-113.2	5.1	-176.9	-67	176.2	146.3	0	0	114.2	S503	S503-E506 PolarHBondContact O-N 3.47Å; S503-E506 VanDerWaalsContact O-N 3.16Å; S503-E506 PolarHBondContact OG-OE2 3.31Å
507	L	37.1	Very low	59.8	Low	168 Å²	168	128.5 Å²	128.5	88%	0.88	61%	0.607	S	S	*	*			trans	-104.1	0	170.5	-69.3	168.3	0	0	0	109.6

Retrieved 507 of 507 residues in 4110.5 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).